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 2hp1_1_A DATA FIRST_RESID 1007 DATA SEQUENCE FKTIKSDEIF AAAQKLMPGG VSSPVRAFKS VGGQPIVFDR VKDAYAWDVD DATA SEQUENCE GNRYIDYVGT WGPAICGHAH PEVIEALKVA MEKGTSFGAP CALENVLAEM DATA SEQUENCE VNDAVPSIEM VRFVNSGTEA CMAVLRIMRA YTGRDKIIKF EGCYHGHADM DATA SEQUENCE FLVKAGSGVA TLGLPSSPGV PKKTTANTLT TPYNDLEAVK ALFAENPGEI DATA SEQUENCE AGVILEPIVG NSGFIVPDAG FLEGLREITL EHDALLVFDE VMTGFRIAYG DATA SEQUENCE GVQEKFGVTP DLTTLGKIIG GGLPVGAYGG KREIMQLVAP AGPMYQAGTL DATA SEQUENCE SGNPLAMTAG IKTLELLRQP GTYEYLDQIT KRLSDGLLAI AQETGHAACG DATA SEQUENCE GQVSGMFGFF FTEGPVHNYE DAKKSDLQKF SRFHRGMLEQ GIYLAPSQFE DATA SEQUENCE AGFTSLAHTE EDIDATLAAA RTVMSAL 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 1007 F HA 0.000 nan 4.527 nan 0.000 0.279 1007 F C 0.000 175.822 175.800 0.036 0.000 0.967 1007 F CA 0.000 58.013 58.000 0.022 0.000 1.383 1007 F CB 0.000 39.022 39.000 0.037 0.000 1.145 1008 K N 2.788 123.043 120.400 -0.241 0.000 2.211 1008 K HA 0.572 4.900 4.320 0.014 0.000 0.275 1008 K C -0.116 176.254 176.600 -0.384 0.000 1.024 1008 K CA -0.263 55.881 56.287 -0.238 0.000 0.887 1008 K CB 1.142 33.577 32.500 -0.109 0.000 1.084 1008 K HN 0.614 nan 8.250 nan 0.000 0.463 1009 T N 0.622 115.003 114.554 -0.289 0.000 3.415 1009 T HA 0.204 4.562 4.350 0.014 0.000 0.282 1009 T C 1.156 175.797 174.700 -0.098 0.000 1.007 1009 T CA -0.586 61.377 62.100 -0.229 0.000 0.958 1009 T CB -0.294 68.432 68.868 -0.237 0.000 1.171 1009 T HN 0.377 nan 8.240 nan 0.000 0.500 1010 I N 1.613 122.138 120.570 -0.073 0.000 2.127 1010 I HA -0.105 4.073 4.170 0.014 0.000 0.241 1010 I C 2.413 178.524 176.117 -0.010 0.000 1.075 1010 I CA 1.338 62.621 61.300 -0.030 0.000 1.334 1010 I CB -0.758 37.228 38.000 -0.024 0.000 1.040 1010 I HN 0.322 nan 8.210 nan 0.000 0.405 1011 K N 0.611 121.003 120.400 -0.012 0.000 2.097 1011 K HA -0.051 4.278 4.320 0.014 0.000 0.206 1011 K C 2.297 178.911 176.600 0.023 0.000 1.049 1011 K CA 1.042 57.334 56.287 0.008 0.000 0.933 1011 K CB -0.537 31.969 32.500 0.010 0.000 0.717 1011 K HN 0.212 nan 8.250 nan 0.000 0.442 1012 S N 1.793 117.500 115.700 0.011 0.000 2.356 1012 S HA -0.136 4.342 4.470 0.014 0.000 0.223 1012 S C 1.477 176.112 174.600 0.058 0.000 1.032 1012 S CA 1.481 59.693 58.200 0.020 0.000 1.005 1012 S CB -0.228 62.955 63.200 -0.028 0.000 0.867 1012 S HN 0.285 nan 8.310 nan 0.000 0.449 1013 D N 1.032 121.459 120.400 0.045 0.000 2.144 1013 D HA -0.100 4.548 4.640 0.014 0.000 0.199 1013 D C 1.934 178.299 176.300 0.107 0.000 0.984 1013 D CA 0.933 54.993 54.000 0.100 0.000 0.834 1013 D CB -0.299 40.537 40.800 0.061 0.000 0.955 1013 D HN 0.521 nan 8.370 nan 0.000 0.465 1014 E N 0.342 120.579 120.200 0.062 0.000 2.051 1014 E HA -0.117 4.241 4.350 0.014 0.000 0.192 1014 E C 2.394 179.025 176.600 0.051 0.000 0.991 1014 E CA 0.583 57.010 56.400 0.045 0.000 0.799 1014 E CB -0.002 29.714 29.700 0.028 0.000 0.748 1014 E HN 0.285 nan 8.360 nan 0.000 0.449 1015 I N 0.241 120.852 120.570 0.069 0.000 2.252 1015 I HA -0.228 3.950 4.170 0.014 0.000 0.245 1015 I C 2.272 178.451 176.117 0.103 0.000 1.102 1015 I CA 0.698 62.041 61.300 0.072 0.000 1.385 1015 I CB -0.195 37.850 38.000 0.076 0.000 1.064 1015 I HN 0.093 nan 8.210 nan 0.000 0.414 1016 F N 2.008 121.946 119.950 -0.020 0.000 2.171 1016 F HA -0.201 4.335 4.527 0.014 0.000 0.300 1016 F C 2.425 178.216 175.800 -0.015 0.000 1.090 1016 F CA 1.181 59.165 58.000 -0.026 0.000 1.293 1016 F CB -0.394 38.579 39.000 -0.046 0.000 1.013 1016 F HN -0.001 nan 8.300 nan 0.000 0.486 1017 A N 0.124 122.911 122.820 -0.054 0.000 1.933 1017 A HA -0.003 4.325 4.320 0.014 0.000 0.218 1017 A C 2.420 179.915 177.584 -0.149 0.000 1.175 1017 A CA 1.672 53.626 52.037 -0.138 0.000 0.628 1017 A CB -1.443 17.541 19.000 -0.025 0.000 0.814 1017 A HN 0.451 nan 8.150 nan 0.000 0.444 1018 A N -0.234 122.535 122.820 -0.085 0.000 1.897 1018 A HA 0.263 4.592 4.320 0.014 0.000 0.215 1018 A C 2.468 179.994 177.584 -0.095 0.000 1.181 1018 A CA 1.723 53.719 52.037 -0.068 0.000 0.620 1018 A CB -0.927 18.056 19.000 -0.028 0.000 0.821 1018 A HN 1.011 nan 8.150 nan 0.000 0.443 1019 A N -0.501 122.251 122.820 -0.114 0.000 1.972 1019 A HA -0.217 4.111 4.320 0.014 0.000 0.219 1019 A C 2.053 179.529 177.584 -0.180 0.000 1.169 1019 A CA 1.613 53.583 52.037 -0.112 0.000 0.635 1019 A CB -0.562 18.405 19.000 -0.055 0.000 0.810 1019 A HN 0.656 nan 8.150 nan 0.000 0.446 1020 Q N -0.451 119.159 119.800 -0.317 0.000 2.226 1020 Q HA -0.143 4.205 4.340 0.014 0.000 0.204 1020 Q C 1.635 177.539 176.000 -0.160 0.000 0.975 1020 Q CA 1.485 57.109 55.803 -0.299 0.000 0.866 1020 Q CB -0.128 28.367 28.738 -0.405 0.000 0.915 1020 Q HN 0.658 nan 8.270 nan 0.000 0.440 1021 K N -0.168 120.156 120.400 -0.127 0.000 2.361 1021 K HA 0.049 4.377 4.320 0.014 0.000 0.196 1021 K C 1.614 178.179 176.600 -0.058 0.000 1.039 1021 K CA 0.443 56.683 56.287 -0.079 0.000 1.001 1021 K CB 0.417 32.878 32.500 -0.064 0.000 0.795 1021 K HN 0.173 nan 8.250 nan 0.000 0.495 1022 L N -0.428 120.759 121.223 -0.061 0.000 2.425 1022 L HA 0.234 4.582 4.340 0.014 0.000 0.215 1022 L C 0.784 177.634 176.870 -0.033 0.000 1.065 1022 L CA 0.202 55.019 54.840 -0.039 0.000 0.842 1022 L CB 0.196 42.236 42.059 -0.031 0.000 1.033 1022 L HN 0.043 nan 8.230 nan 0.000 0.474 1023 M N -0.732 118.842 119.600 -0.043 0.000 2.550 1023 M HA 0.423 4.911 4.480 0.014 0.000 0.292 1023 M C -2.620 173.658 176.300 -0.037 0.000 1.221 1023 M CA -1.845 53.437 55.300 -0.030 0.000 0.873 1023 M CB 2.150 34.741 32.600 -0.014 0.000 1.727 1023 M HN -0.384 nan 8.290 nan 0.000 0.459 1024 P HA 0.102 nan 4.420 nan 0.000 0.261 1024 P C 0.755 178.051 177.300 -0.007 0.000 1.203 1024 P CA 0.999 64.088 63.100 -0.019 0.000 0.767 1024 P CB 0.174 31.865 31.700 -0.015 0.000 0.785 1025 G N 3.560 112.351 108.800 -0.016 0.000 2.175 1025 G HA2 -0.212 3.756 3.960 0.014 0.000 0.265 1025 G HA3 -0.212 3.756 3.960 0.014 0.000 0.265 1025 G C 0.911 175.819 174.900 0.014 0.000 0.979 1025 G CA 0.497 45.610 45.100 0.022 0.000 0.663 1025 G HN 1.009 nan 8.290 nan 0.000 0.533 1026 G N -2.396 106.361 108.800 -0.072 0.000 2.179 1026 G HA2 0.121 4.090 3.960 0.014 0.000 0.257 1026 G HA3 0.121 4.090 3.960 0.014 0.000 0.257 1026 G C 0.823 175.784 174.900 0.102 0.000 1.010 1026 G CA 1.639 46.679 45.100 -0.099 0.000 0.736 1026 G HN 2.423 nan 8.290 nan 0.000 0.513 1027 V N -5.003 114.971 119.914 0.100 0.000 3.159 1027 V HA 0.897 5.025 4.120 0.014 0.000 0.308 1027 V C 0.750 176.871 176.094 0.045 0.000 1.190 1027 V CA 0.241 62.603 62.300 0.104 0.000 1.037 1027 V CB 1.538 33.440 31.823 0.132 0.000 1.060 1027 V HN 0.242 nan 8.190 nan 0.000 0.437 1028 S N 0.558 116.277 115.700 0.031 0.000 2.548 1028 S HA 0.323 4.802 4.470 0.014 0.000 0.215 1028 S C 0.613 175.205 174.600 -0.013 0.000 0.976 1028 S CA 0.813 59.019 58.200 0.010 0.000 0.908 1028 S CB 0.003 63.212 63.200 0.016 0.000 0.781 1028 S HN 1.068 nan 8.310 nan 0.000 0.519 1029 S N 0.534 116.220 115.700 -0.023 0.000 2.603 1029 S HA 0.399 4.877 4.470 0.014 0.000 0.274 1029 S C -2.612 171.945 174.600 -0.072 0.000 1.168 1029 S CA -1.272 56.884 58.200 -0.073 0.000 0.963 1029 S CB 1.373 64.494 63.200 -0.132 0.000 1.078 1029 S HN -0.173 nan 8.310 nan 0.000 0.477 1030 P HA -0.099 nan 4.420 nan 0.000 0.218 1030 P C 1.408 178.666 177.300 -0.070 0.000 1.146 1030 P CA 0.625 63.694 63.100 -0.053 0.000 0.813 1030 P CB 0.160 31.818 31.700 -0.070 0.000 0.778 1031 V N -0.249 119.551 119.914 -0.190 0.000 2.867 1031 V HA -0.180 3.948 4.120 0.014 0.000 0.260 1031 V C 1.809 177.878 176.094 -0.041 0.000 1.099 1031 V CA 1.645 63.790 62.300 -0.258 0.000 1.122 1031 V CB -0.789 30.601 31.823 -0.722 0.000 0.708 1031 V HN 0.090 nan 8.190 nan 0.000 0.490 1032 R N -0.308 120.214 120.500 0.038 0.000 2.317 1032 R HA 0.288 4.636 4.340 0.014 0.000 0.208 1032 R C 2.193 178.668 176.300 0.292 0.000 0.914 1032 R CA 0.673 56.920 56.100 0.245 0.000 1.060 1032 R CB -0.255 30.144 30.300 0.166 0.000 1.015 1032 R HN 0.514 nan 8.270 nan 0.000 0.498 1033 A N 1.047 123.995 122.820 0.213 0.000 1.948 1033 A HA -0.186 4.142 4.320 0.014 0.000 0.220 1033 A C 0.745 178.521 177.584 0.321 0.000 1.177 1033 A CA 1.398 53.570 52.037 0.225 0.000 0.636 1033 A CB -0.400 18.695 19.000 0.159 0.000 0.815 1033 A HN 0.439 nan 8.150 nan 0.000 0.449 1034 F N -2.512 117.434 119.950 -0.007 0.000 2.794 1034 F HA -0.262 4.273 4.527 0.014 0.000 0.335 1034 F C 1.390 177.182 175.800 -0.014 0.000 0.653 1034 F CA 1.202 59.172 58.000 -0.049 0.000 1.266 1034 F CB -1.623 37.314 39.000 -0.106 0.000 1.666 1034 F HN 0.287 nan 8.300 nan 0.000 0.314 1035 K N -0.064 120.431 120.400 0.158 0.000 2.280 1035 K HA -0.084 4.245 4.320 0.014 0.000 0.202 1035 K C 1.842 178.491 176.600 0.082 0.000 1.047 1035 K CA 1.520 57.881 56.287 0.122 0.000 0.942 1035 K CB -0.195 32.373 32.500 0.113 0.000 0.739 1035 K HN 0.459 nan 8.250 nan 0.000 0.457 1036 S N -0.634 115.097 115.700 0.051 0.000 2.577 1036 S HA 0.058 4.536 4.470 0.014 0.000 0.219 1036 S C 1.075 175.691 174.600 0.026 0.000 0.962 1036 S CA -0.352 57.882 58.200 0.056 0.000 0.921 1036 S CB 0.953 64.200 63.200 0.079 0.000 0.789 1036 S HN 0.053 nan 8.310 nan 0.000 0.497 1037 V N 0.415 120.297 119.914 -0.053 0.000 3.330 1037 V HA 0.592 4.720 4.120 0.014 0.000 0.309 1037 V C 1.040 177.120 176.094 -0.025 0.000 1.481 1037 V CA 0.587 62.806 62.300 -0.135 0.000 1.068 1037 V CB 0.099 31.581 31.823 -0.568 0.000 0.935 1037 V HN 0.764 nan 8.190 nan 0.000 0.453 1038 G N -0.359 108.472 108.800 0.051 0.000 2.159 1038 G HA2 0.148 4.116 3.960 0.014 0.000 0.170 1038 G HA3 0.148 4.116 3.960 0.014 0.000 0.170 1038 G C 1.086 176.072 174.900 0.142 0.000 1.007 1038 G CA 0.141 45.298 45.100 0.094 0.000 0.672 1038 G HN 1.943 nan 8.290 nan 0.000 0.507 1039 G N -0.681 108.227 108.800 0.180 0.000 2.955 1039 G HA2 0.316 4.284 3.960 0.014 0.000 0.604 1039 G HA3 0.316 4.284 3.960 0.014 0.000 0.604 1039 G C 0.107 175.104 174.900 0.162 0.000 1.572 1039 G CA 0.844 46.059 45.100 0.193 0.000 1.016 1039 G HN 1.879 nan 8.290 nan 0.000 0.569 1040 Q N -2.199 117.571 119.800 -0.051 0.000 2.235 1040 Q HA -0.094 4.254 4.340 0.014 0.000 0.293 1040 Q C -2.429 173.155 176.000 -0.694 0.000 1.193 1040 Q CA 0.940 56.581 55.803 -0.270 0.000 0.631 1040 Q CB -1.914 26.806 28.738 -0.031 0.000 0.921 1040 Q HN 0.696 nan 8.270 nan 0.000 0.333 1041 P HA 0.294 nan 4.420 nan 0.000 0.274 1041 P C 0.427 177.176 177.300 -0.918 0.000 1.231 1041 P CA -0.396 61.610 63.100 -1.824 0.000 0.790 1041 P CB 0.550 31.484 31.700 -1.276 0.000 0.951 1042 I N -1.284 118.925 120.570 -0.603 0.000 2.392 1042 I HA 0.430 4.608 4.170 0.014 0.000 0.295 1042 I C -0.531 175.570 176.117 -0.027 0.000 0.985 1042 I CA -1.195 60.024 61.300 -0.135 0.000 1.221 1042 I CB 1.432 39.511 38.000 0.132 0.000 1.366 1042 I HN -0.097 nan 8.210 nan 0.000 0.467 1043 V N 6.806 126.748 119.914 0.047 0.000 2.408 1043 V HA 0.251 4.379 4.120 0.014 0.000 0.267 1043 V C 0.203 176.474 176.094 0.295 0.000 1.047 1043 V CA -0.016 62.348 62.300 0.107 0.000 0.937 1043 V CB 0.105 31.978 31.823 0.083 0.000 0.999 1043 V HN 0.526 nan 8.190 nan 0.000 0.472 1044 F N 2.883 122.820 119.950 -0.021 0.000 2.418 1044 F HA 0.127 4.662 4.527 0.014 0.000 0.341 1044 F C 1.243 177.060 175.800 0.029 0.000 1.120 1044 F CA -0.191 57.803 58.000 -0.010 0.000 1.232 1044 F CB 1.272 40.235 39.000 -0.062 0.000 1.175 1044 F HN 0.566 nan 8.300 nan 0.000 0.569 1045 D N 0.737 121.256 120.400 0.198 0.000 2.463 1045 D HA 0.093 4.741 4.640 0.014 0.000 0.237 1045 D C -0.159 176.199 176.300 0.096 0.000 1.013 1045 D CA 0.272 54.345 54.000 0.122 0.000 0.910 1045 D CB 0.557 41.408 40.800 0.085 0.000 1.080 1045 D HN 0.580 nan 8.370 nan 0.000 0.498 1046 R N -0.819 119.750 120.500 0.116 0.000 2.690 1046 R HA 0.551 4.899 4.340 0.014 0.000 0.269 1046 R C -1.679 174.734 176.300 0.188 0.000 1.037 1046 R CA -1.011 55.148 56.100 0.099 0.000 0.877 1046 R CB 1.215 31.512 30.300 -0.005 0.000 1.255 1046 R HN -0.071 nan 8.270 nan 0.000 0.467 1047 V N -1.796 118.188 119.914 0.117 0.000 2.925 1047 V HA 0.847 4.976 4.120 0.014 0.000 0.311 1047 V C -0.949 175.281 176.094 0.227 0.000 1.104 1047 V CA -0.854 61.474 62.300 0.047 0.000 0.954 1047 V CB 2.109 33.565 31.823 -0.611 0.000 1.022 1047 V HN 0.995 nan 8.190 nan 0.000 0.427 1048 K N 2.109 122.759 120.400 0.416 0.000 2.570 1048 K HA 0.400 4.729 4.320 0.014 0.000 0.256 1048 K C -0.683 176.100 176.600 0.304 0.000 0.939 1048 K CA -0.145 56.371 56.287 0.383 0.000 0.833 1048 K CB 1.789 34.526 32.500 0.395 0.000 1.318 1048 K HN 1.047 nan 8.250 nan 0.000 0.433 1049 D N 1.252 121.752 120.400 0.166 0.000 3.845 1049 D HA -0.297 4.352 4.640 0.014 0.000 0.144 1049 D C 0.488 176.648 176.300 -0.233 0.000 0.889 1049 D CA 2.013 55.994 54.000 -0.032 0.000 1.096 1049 D CB -0.957 39.813 40.800 -0.049 0.000 0.515 1049 D HN 0.652 nan 8.370 nan 0.000 0.525 1050 A N 0.267 122.662 122.820 -0.708 0.000 2.307 1050 A HA 0.298 4.626 4.320 0.014 0.000 0.218 1050 A C -0.029 176.961 177.584 -0.989 0.000 1.228 1050 A CA 0.337 51.714 52.037 -1.100 0.000 0.857 1050 A CB -0.241 17.736 19.000 -1.705 0.000 0.897 1050 A HN 0.346 nan 8.150 nan 0.000 0.495 1051 Y N -1.680 118.480 120.300 -0.234 0.000 2.549 1051 Y HA 0.701 5.259 4.550 0.014 0.000 0.339 1051 Y C 0.326 175.917 175.900 -0.515 0.000 1.053 1051 Y CA -0.933 56.877 58.100 -0.484 0.000 1.105 1051 Y CB 1.625 39.553 38.460 -0.886 0.000 1.258 1051 Y HN 0.095 nan 8.280 nan 0.000 0.478 1052 A N 1.361 123.837 122.820 -0.574 0.000 2.435 1052 A HA 0.724 5.052 4.320 0.014 0.000 0.304 1052 A C -1.914 175.260 177.584 -0.683 0.000 1.064 1052 A CA -0.660 50.988 52.037 -0.648 0.000 0.727 1052 A CB 1.307 19.650 19.000 -1.095 0.000 1.284 1052 A HN 0.757 nan 8.150 nan 0.000 0.415 1053 W N 1.467 122.557 121.300 -0.349 0.000 2.600 1053 W HA 0.285 4.953 4.660 0.013 0.000 0.325 1053 W C -0.959 175.467 176.519 -0.154 0.000 1.034 1053 W CA -0.598 56.640 57.345 -0.177 0.000 1.226 1053 W CB 1.900 31.285 29.460 -0.125 0.000 1.379 1053 W HN 0.719 nan 8.180 nan 0.000 0.466 1054 D N 0.632 121.141 120.400 0.181 0.000 2.361 1054 D HA 0.020 4.669 4.640 0.014 0.000 0.239 1054 D C 1.394 177.781 176.300 0.145 0.000 1.200 1054 D CA 0.171 54.289 54.000 0.197 0.000 0.915 1054 D CB 1.766 42.709 40.800 0.239 0.000 1.170 1054 D HN 0.186 nan 8.370 nan 0.000 0.444 1055 V N -1.342 118.644 119.914 0.120 0.000 3.305 1055 V HA -0.032 4.096 4.120 0.014 0.000 0.269 1055 V C 0.958 177.080 176.094 0.047 0.000 1.157 1055 V CA 1.080 63.426 62.300 0.077 0.000 1.157 1055 V CB -0.169 31.695 31.823 0.068 0.000 0.772 1055 V HN 0.333 nan 8.190 nan 0.000 0.498 1056 D N 0.801 121.226 120.400 0.042 0.000 2.349 1056 D HA 0.248 4.896 4.640 0.014 0.000 0.214 1056 D C 1.857 178.164 176.300 0.013 0.000 1.063 1056 D CA 1.075 55.077 54.000 0.003 0.000 0.847 1056 D CB 0.961 41.732 40.800 -0.048 0.000 0.933 1056 D HN 0.689 nan 8.370 nan 0.000 0.513 1057 G N 1.448 110.281 108.800 0.055 0.000 2.175 1057 G HA2 -0.264 3.704 3.960 0.014 0.000 0.244 1057 G HA3 -0.264 3.704 3.960 0.014 0.000 0.244 1057 G C 0.116 175.065 174.900 0.082 0.000 0.982 1057 G CA -0.308 44.838 45.100 0.076 0.000 0.641 1057 G HN 0.309 nan 8.290 nan 0.000 0.527 1058 N N 0.757 119.468 118.700 0.018 0.000 2.497 1058 N HA 0.442 5.190 4.740 0.014 0.000 0.268 1058 N C 0.367 175.690 175.510 -0.312 0.000 1.171 1058 N CA -0.109 52.860 53.050 -0.136 0.000 0.948 1058 N CB 0.595 39.000 38.487 -0.137 0.000 1.069 1058 N HN 0.298 nan 8.380 nan 0.000 0.460 1059 R N 2.523 122.736 120.500 -0.480 0.000 2.474 1059 R HA 0.349 4.698 4.340 0.014 0.000 0.295 1059 R C -1.454 174.371 176.300 -0.792 0.000 0.980 1059 R CA -0.297 55.375 56.100 -0.714 0.000 0.934 1059 R CB 0.506 30.450 30.300 -0.594 0.000 1.101 1059 R HN 0.577 nan 8.270 nan 0.000 0.469 1060 Y N 2.576 122.610 120.300 -0.443 0.000 2.545 1060 Y HA 0.454 5.012 4.550 0.014 0.000 0.348 1060 Y C 0.275 176.078 175.900 -0.162 0.000 1.002 1060 Y CA -0.909 57.065 58.100 -0.209 0.000 1.039 1060 Y CB 1.843 40.249 38.460 -0.090 0.000 1.271 1060 Y HN 0.347 nan 8.280 nan 0.000 0.467 1061 I N 2.577 123.217 120.570 0.117 0.000 2.312 1061 I HA 0.115 4.293 4.170 0.014 0.000 0.291 1061 I C -0.482 175.597 176.117 -0.063 0.000 1.031 1061 I CA -0.232 61.060 61.300 -0.012 0.000 1.293 1061 I CB 0.552 38.575 38.000 0.037 0.000 1.403 1061 I HN 0.547 nan 8.210 nan 0.000 0.484 1062 D N 6.160 126.447 120.400 -0.188 0.000 2.295 1062 D HA 0.113 4.761 4.640 0.014 0.000 0.248 1062 D C -0.385 175.841 176.300 -0.122 0.000 1.154 1062 D CA 0.058 54.053 54.000 -0.009 0.000 0.857 1062 D CB 0.749 41.605 40.800 0.094 0.000 1.117 1062 D HN 0.310 nan 8.370 nan 0.000 0.468 1063 Y N 2.422 122.882 120.300 0.266 0.000 2.681 1063 Y HA 0.171 4.729 4.550 0.014 0.000 0.267 1063 Y C 1.421 177.383 175.900 0.102 0.000 1.166 1063 Y CA -0.220 57.997 58.100 0.196 0.000 1.209 1063 Y CB 0.792 39.361 38.460 0.181 0.000 1.161 1063 Y HN 0.283 nan 8.280 nan 0.000 0.534 1064 V N -1.413 118.620 119.914 0.199 0.000 3.048 1064 V HA 0.201 4.329 4.120 0.014 0.000 0.241 1064 V C 1.616 177.775 176.094 0.107 0.000 1.129 1064 V CA 0.864 63.186 62.300 0.037 0.000 1.128 1064 V CB -0.277 31.453 31.823 -0.155 0.000 0.849 1064 V HN 0.454 nan 8.190 nan 0.000 0.475 1065 G N 1.353 110.224 108.800 0.117 0.000 2.366 1065 G HA2 -0.358 3.610 3.960 0.014 0.000 0.299 1065 G HA3 -0.358 3.610 3.960 0.014 0.000 0.299 1065 G C 0.570 175.532 174.900 0.104 0.000 1.020 1065 G CA 1.307 46.407 45.100 0.000 0.000 1.026 1065 G HN 0.858 nan 8.290 nan 0.000 0.512 1066 T N -1.863 112.836 114.554 0.241 0.000 3.935 1066 T HA -0.299 4.059 4.350 0.014 0.000 0.346 1066 T C 1.067 175.999 174.700 0.388 0.000 0.758 1066 T CA 2.244 64.530 62.100 0.310 0.000 1.874 1066 T CB -1.694 67.382 68.868 0.346 0.000 1.875 1066 T HN 2.121 nan 8.240 nan 0.000 0.802 1067 W N -2.901 118.500 121.300 0.169 0.000 3.910 1067 W HA -0.093 4.575 4.660 0.014 0.000 0.355 1067 W C 1.257 177.618 176.519 -0.264 0.000 1.359 1067 W CA 0.873 58.300 57.345 0.136 0.000 0.732 1067 W CB -1.983 27.573 29.460 0.159 0.000 2.472 1067 W HN 1.311 nan 8.180 nan 0.000 1.296 1068 G N -4.034 104.464 108.800 -0.504 0.000 2.561 1068 G HA2 -0.269 3.699 3.960 0.014 0.000 0.203 1068 G HA3 -0.269 3.699 3.960 0.014 0.000 0.203 1068 G C -0.477 174.240 174.900 -0.305 0.000 1.101 1068 G CA 0.017 44.638 45.100 -0.799 0.000 0.711 1068 G HN 0.204 nan 8.290 nan 0.000 0.511 1069 P HA 0.071 nan 4.420 nan 0.000 0.215 1069 P C 1.543 178.822 177.300 -0.034 0.000 1.157 1069 P CA 2.406 65.490 63.100 -0.026 0.000 0.874 1069 P CB -0.129 31.599 31.700 0.047 0.000 0.790 1070 A N -0.953 121.839 122.820 -0.046 0.000 2.711 1070 A HA 0.038 4.366 4.320 0.014 0.000 0.242 1070 A C 1.542 179.065 177.584 -0.103 0.000 1.607 1070 A CA -0.003 51.981 52.037 -0.087 0.000 1.370 1070 A CB -1.986 16.856 19.000 -0.263 0.000 0.934 1070 A HN 0.203 nan 8.150 nan 0.000 0.628 1071 I N -1.285 119.249 120.570 -0.059 0.000 2.546 1071 I HA -0.191 3.987 4.170 0.014 0.000 0.255 1071 I C 1.424 177.534 176.117 -0.011 0.000 1.163 1071 I CA 1.260 62.541 61.300 -0.032 0.000 1.457 1071 I CB 0.140 38.136 38.000 -0.005 0.000 1.092 1071 I HN 0.485 nan 8.210 nan 0.000 0.434 1072 C N 2.109 121.403 119.300 -0.009 0.000 2.626 1072 C HA 0.432 4.901 4.460 0.014 0.000 0.266 1072 C C 1.070 176.131 174.990 0.117 0.000 1.317 1072 C CA 0.433 59.465 59.018 0.025 0.000 1.716 1072 C CB -1.994 25.703 27.740 -0.071 0.000 1.819 1072 C HN 0.774 nan 8.230 nan 0.000 0.578 1073 G N -0.395 108.426 108.800 0.035 0.000 2.629 1073 G HA2 -0.087 3.881 3.960 0.014 0.000 0.686 1073 G HA3 -0.087 3.881 3.960 0.014 0.000 0.686 1073 G C -0.904 174.010 174.900 0.023 0.000 1.232 1073 G CA -0.907 44.192 45.100 -0.001 0.000 0.803 1073 G HN 0.581 nan 8.290 nan 0.000 0.638 1074 H N 0.276 119.375 119.070 0.049 0.000 2.732 1074 H HA 0.451 5.015 4.556 0.014 0.000 0.351 1074 H C 1.317 176.696 175.328 0.084 0.000 1.090 1074 H CA 0.956 57.047 56.048 0.072 0.000 1.431 1074 H CB 1.140 30.944 29.762 0.071 0.000 1.447 1074 H HN 2.094 nan 8.280 nan 0.000 0.582 1075 A N 2.392 125.355 122.820 0.237 0.000 2.640 1075 A HA -0.259 4.069 4.320 0.014 0.000 0.300 1075 A C 0.333 177.993 177.584 0.126 0.000 1.499 1075 A CA 0.608 52.736 52.037 0.151 0.000 0.759 1075 A CB -2.230 16.840 19.000 0.116 0.000 1.048 1075 A HN 0.836 nan 8.150 nan 0.000 0.450 1076 H N 1.243 120.349 119.070 0.060 0.000 3.070 1076 H HA 0.099 4.663 4.556 0.014 0.000 0.313 1076 H C -0.693 174.650 175.328 0.025 0.000 0.997 1076 H CA -0.219 55.850 56.048 0.034 0.000 1.438 1076 H CB 0.928 30.701 29.762 0.018 0.000 1.455 1076 H HN 0.352 nan 8.280 nan 0.000 0.575 1077 P HA -0.171 nan 4.420 nan 0.000 0.216 1077 P C 0.845 178.216 177.300 0.118 0.000 1.150 1077 P CA 1.344 64.443 63.100 -0.002 0.000 0.837 1077 P CB 0.354 32.001 31.700 -0.088 0.000 0.786 1078 E N -0.447 119.939 120.200 0.310 0.000 2.152 1078 E HA -0.058 4.301 4.350 0.014 0.000 0.192 1078 E C 2.137 178.815 176.600 0.129 0.000 0.983 1078 E CA 0.680 57.208 56.400 0.213 0.000 0.818 1078 E CB -0.271 29.563 29.700 0.223 0.000 0.758 1078 E HN 0.098 nan 8.360 nan 0.000 0.467 1079 V N 1.421 121.429 119.914 0.157 0.000 2.323 1079 V HA -0.214 3.914 4.120 0.014 0.000 0.244 1079 V C 2.224 178.351 176.094 0.055 0.000 1.041 1079 V CA 1.283 63.618 62.300 0.059 0.000 1.025 1079 V CB -0.291 31.559 31.823 0.045 0.000 0.656 1079 V HN 0.251 nan 8.190 nan 0.000 0.451 1080 I N 0.276 120.892 120.570 0.076 0.000 2.226 1080 I HA -0.243 3.935 4.170 0.014 0.000 0.245 1080 I C 2.634 178.770 176.117 0.033 0.000 1.100 1080 I CA 1.796 63.124 61.300 0.048 0.000 1.374 1080 I CB -0.305 37.723 38.000 0.047 0.000 1.057 1080 I HN 0.375 nan 8.210 nan 0.000 0.413 1081 E N 1.594 121.817 120.200 0.039 0.000 2.077 1081 E HA -0.213 4.145 4.350 0.014 0.000 0.193 1081 E C 2.094 178.705 176.600 0.019 0.000 0.989 1081 E CA 1.830 58.246 56.400 0.026 0.000 0.800 1081 E CB -0.188 29.530 29.700 0.031 0.000 0.746 1081 E HN 0.409 nan 8.360 nan 0.000 0.452 1082 A N 0.434 123.266 122.820 0.019 0.000 1.933 1082 A HA -0.103 4.225 4.320 0.014 0.000 0.218 1082 A C 2.341 179.925 177.584 -0.001 0.000 1.175 1082 A CA 1.421 53.461 52.037 0.006 0.000 0.628 1082 A CB -0.714 18.286 19.000 -0.001 0.000 0.814 1082 A HN 0.349 nan 8.150 nan 0.000 0.444 1083 L N -0.782 120.441 121.223 -0.000 0.000 2.093 1083 L HA -0.196 4.153 4.340 0.014 0.000 0.208 1083 L C 2.581 179.449 176.870 -0.003 0.000 1.085 1083 L CA 1.608 56.444 54.840 -0.008 0.000 0.755 1083 L CB -0.436 41.621 42.059 -0.003 0.000 0.904 1083 L HN 0.355 nan 8.230 nan 0.000 0.435 1084 K N -0.304 120.098 120.400 0.004 0.000 2.026 1084 K HA -0.149 4.179 4.320 0.014 0.000 0.208 1084 K C 2.049 178.653 176.600 0.006 0.000 1.048 1084 K CA 1.341 57.632 56.287 0.006 0.000 0.929 1084 K CB -0.287 32.217 32.500 0.007 0.000 0.713 1084 K HN 0.088 nan 8.250 nan 0.000 0.439 1085 V N 1.326 121.245 119.914 0.007 0.000 2.343 1085 V HA -0.256 3.872 4.120 0.014 0.000 0.247 1085 V C 2.347 178.448 176.094 0.013 0.000 1.051 1085 V CA 2.045 64.352 62.300 0.011 0.000 1.036 1085 V CB -0.672 31.157 31.823 0.011 0.000 0.654 1085 V HN 0.372 nan 8.190 nan 0.000 0.451 1086 A N 1.027 123.850 122.820 0.004 0.000 1.902 1086 A HA -0.251 4.077 4.320 0.014 0.000 0.217 1086 A C 2.288 179.874 177.584 0.002 0.000 1.181 1086 A CA 2.272 54.309 52.037 -0.000 0.000 0.623 1086 A CB -0.554 18.430 19.000 -0.027 0.000 0.818 1086 A HN 0.675 nan 8.150 nan 0.000 0.443 1087 M N -1.476 118.122 119.600 -0.004 0.000 2.358 1087 M HA -0.070 4.418 4.480 0.014 0.000 0.264 1087 M C 1.088 177.401 176.300 0.021 0.000 1.064 1087 M CA 1.867 57.166 55.300 -0.001 0.000 1.093 1087 M CB -0.564 32.033 32.600 -0.005 0.000 1.401 1087 M HN 0.179 nan 8.290 nan 0.000 0.440 1088 E N 2.061 122.277 120.200 0.026 0.000 2.338 1088 E HA -0.074 4.284 4.350 0.014 0.000 0.197 1088 E C 1.124 177.756 176.600 0.054 0.000 1.007 1088 E CA 0.942 57.362 56.400 0.033 0.000 0.849 1088 E CB -0.164 29.551 29.700 0.026 0.000 0.774 1088 E HN 0.721 nan 8.360 nan 0.000 0.506 1089 K N 0.044 120.490 120.400 0.077 0.000 2.387 1089 K HA 0.232 4.561 4.320 0.014 0.000 0.198 1089 K C 0.377 177.112 176.600 0.225 0.000 1.022 1089 K CA 0.351 56.718 56.287 0.134 0.000 1.128 1089 K CB 0.890 33.488 32.500 0.164 0.000 0.853 1089 K HN 0.067 nan 8.250 nan 0.000 0.523 1090 G N 1.415 110.305 108.800 0.149 0.000 3.055 1090 G HA2 -0.219 3.749 3.960 0.014 0.000 0.686 1090 G HA3 -0.219 3.749 3.960 0.014 0.000 0.686 1090 G C 0.465 175.389 174.900 0.039 0.000 1.087 1090 G CA -0.234 44.965 45.100 0.166 0.000 0.779 1090 G HN 0.127 nan 8.290 nan 0.000 0.599 1091 T N -1.889 112.650 114.554 -0.024 0.000 3.043 1091 T HA 0.497 4.855 4.350 0.014 0.000 0.263 1091 T C 1.190 175.755 174.700 -0.225 0.000 1.094 1091 T CA 1.534 63.564 62.100 -0.117 0.000 1.127 1091 T CB 0.304 69.136 68.868 -0.061 0.000 0.905 1091 T HN 1.908 nan 8.240 nan 0.000 0.490 1092 S N -0.769 114.829 115.700 -0.171 0.000 2.572 1092 S HA 0.610 5.088 4.470 0.014 0.000 0.274 1092 S C -0.724 173.900 174.600 0.040 0.000 1.150 1092 S CA -0.856 57.237 58.200 -0.177 0.000 0.944 1092 S CB 0.822 63.988 63.200 -0.057 0.000 1.071 1092 S HN 0.060 nan 8.310 nan 0.000 0.479 1093 F N 2.621 122.571 119.950 0.002 0.000 2.399 1093 F HA 0.443 4.978 4.527 0.013 0.000 0.282 1093 F C 2.272 178.078 175.800 0.010 0.000 1.027 1093 F CA 0.558 58.561 58.000 0.005 0.000 1.333 1093 F CB -0.829 38.172 39.000 0.002 0.000 1.132 1093 F HN 0.937 nan 8.300 nan 0.000 0.590 1094 G N 0.314 109.238 108.800 0.207 0.000 2.141 1094 G HA2 0.116 4.085 3.960 0.014 0.000 0.231 1094 G HA3 0.116 4.085 3.960 0.014 0.000 0.231 1094 G C 0.091 175.063 174.900 0.121 0.000 0.984 1094 G CA 0.146 45.321 45.100 0.125 0.000 0.660 1094 G HN 0.794 nan 8.290 nan 0.000 0.525 1095 A N -0.905 122.015 122.820 0.166 0.000 2.583 1095 A HA 0.941 5.269 4.320 0.014 0.000 0.289 1095 A C -2.815 174.862 177.584 0.157 0.000 1.151 1095 A CA -0.989 51.123 52.037 0.124 0.000 0.695 1095 A CB 0.798 19.846 19.000 0.080 0.000 1.290 1095 A HN 0.160 nan 8.150 nan 0.000 0.419 1096 P HA 0.444 nan 4.420 nan 0.000 0.269 1096 P C -0.499 176.895 177.300 0.157 0.000 1.209 1096 P CA -0.066 63.101 63.100 0.112 0.000 0.776 1096 P CB 0.287 32.030 31.700 0.071 0.000 0.876 1097 C N -0.341 119.055 119.300 0.161 0.000 2.994 1097 C HA 0.804 5.273 4.460 0.014 0.000 0.305 1097 C C 1.608 176.665 174.990 0.111 0.000 1.251 1097 C CA -0.088 59.048 59.018 0.196 0.000 1.478 1097 C CB 1.006 28.959 27.740 0.356 0.000 1.922 1097 C HN 0.663 nan 8.230 nan 0.000 0.472 1098 A N 1.404 124.282 122.820 0.096 0.000 1.917 1098 A HA -0.083 4.245 4.320 0.014 0.000 0.219 1098 A C 1.942 179.554 177.584 0.047 0.000 1.182 1098 A CA 2.178 54.252 52.037 0.063 0.000 0.633 1098 A CB -0.840 18.193 19.000 0.054 0.000 0.819 1098 A HN 1.002 nan 8.150 nan 0.000 0.448 1099 L N -0.865 120.378 121.223 0.033 0.000 2.129 1099 L HA -0.258 4.091 4.340 0.014 0.000 0.212 1099 L C 2.541 179.387 176.870 -0.040 0.000 1.087 1099 L CA 1.734 56.565 54.840 -0.015 0.000 0.757 1099 L CB -0.622 41.405 42.059 -0.054 0.000 0.896 1099 L HN 0.497 nan 8.230 nan 0.000 0.434 1100 E N -0.047 120.143 120.200 -0.016 0.000 2.077 1100 E HA -0.200 4.158 4.350 0.014 0.000 0.193 1100 E C 1.930 178.618 176.600 0.147 0.000 0.989 1100 E CA 1.247 57.661 56.400 0.024 0.000 0.800 1100 E CB -0.038 29.714 29.700 0.087 0.000 0.746 1100 E HN 0.463 nan 8.360 nan 0.000 0.452 1101 N N 0.107 118.867 118.700 0.101 0.000 2.120 1101 N HA -0.132 4.617 4.740 0.014 0.000 0.188 1101 N C 1.812 177.377 175.510 0.092 0.000 1.024 1101 N CA 0.812 53.920 53.050 0.096 0.000 0.852 1101 N CB -0.365 38.160 38.487 0.063 0.000 1.003 1101 N HN -0.024 nan 8.380 nan 0.000 0.424 1102 V N 1.235 121.188 119.914 0.065 0.000 2.261 1102 V HA -0.164 3.964 4.120 0.014 0.000 0.246 1102 V C 2.344 178.485 176.094 0.079 0.000 1.047 1102 V CA 1.240 63.574 62.300 0.056 0.000 1.015 1102 V CB -0.545 31.295 31.823 0.028 0.000 0.642 1102 V HN 0.325 nan 8.190 nan 0.000 0.446 1103 L N -0.251 121.015 121.223 0.072 0.000 2.046 1103 L HA -0.162 4.186 4.340 0.014 0.000 0.208 1103 L C 2.641 179.702 176.870 0.318 0.000 1.077 1103 L CA 1.788 56.700 54.840 0.120 0.000 0.747 1103 L CB -0.613 41.398 42.059 -0.079 0.000 0.896 1103 L HN 0.397 nan 8.230 nan 0.000 0.432 1104 A N -0.363 122.699 122.820 0.403 0.000 1.883 1104 A HA -0.313 4.016 4.320 0.014 0.000 0.217 1104 A C 2.159 179.812 177.584 0.114 0.000 1.186 1104 A CA 2.084 54.267 52.037 0.244 0.000 0.624 1104 A CB -0.645 18.451 19.000 0.160 0.000 0.822 1104 A HN 0.555 nan 8.150 nan 0.000 0.444 1105 E N -0.811 119.453 120.200 0.107 0.000 2.077 1105 E HA -0.186 4.173 4.350 0.014 0.000 0.193 1105 E C 2.084 178.742 176.600 0.095 0.000 0.989 1105 E CA 1.358 57.804 56.400 0.077 0.000 0.800 1105 E CB -0.184 29.557 29.700 0.068 0.000 0.746 1105 E HN 0.677 nan 8.360 nan 0.000 0.452 1106 M N -0.172 119.501 119.600 0.121 0.000 2.132 1106 M HA -0.155 4.333 4.480 0.014 0.000 0.263 1106 M C 2.284 178.682 176.300 0.163 0.000 1.065 1106 M CA 0.984 56.374 55.300 0.150 0.000 1.122 1106 M CB 0.037 32.722 32.600 0.143 0.000 1.365 1106 M HN 0.075 nan 8.290 nan 0.000 0.411 1107 V N 0.835 120.843 119.914 0.157 0.000 2.358 1107 V HA -0.235 3.893 4.120 0.014 0.000 0.246 1107 V C 1.900 178.037 176.094 0.072 0.000 1.047 1107 V CA 1.600 63.997 62.300 0.162 0.000 1.035 1107 V CB -0.883 31.031 31.823 0.152 0.000 0.658 1107 V HN 0.461 nan 8.190 nan 0.000 0.452 1108 N N 0.494 119.218 118.700 0.040 0.000 2.166 1108 N HA -0.151 4.597 4.740 0.014 0.000 0.186 1108 N C 1.484 177.008 175.510 0.024 0.000 1.019 1108 N CA 1.552 54.605 53.050 0.006 0.000 0.856 1108 N CB -0.371 38.114 38.487 -0.004 0.000 0.993 1108 N HN 0.500 nan 8.380 nan 0.000 0.426 1109 D N 0.150 120.589 120.400 0.065 0.000 2.249 1109 D HA 0.072 4.721 4.640 0.014 0.000 0.205 1109 D C 1.660 178.025 176.300 0.109 0.000 0.962 1109 D CA 0.511 54.563 54.000 0.086 0.000 0.860 1109 D CB 0.024 40.894 40.800 0.117 0.000 0.955 1109 D HN 0.214 nan 8.370 nan 0.000 0.505 1110 A N 0.557 123.434 122.820 0.096 0.000 1.898 1110 A HA 0.040 4.368 4.320 0.014 0.000 0.214 1110 A C 1.225 178.728 177.584 -0.136 0.000 1.183 1110 A CA 0.437 52.465 52.037 -0.015 0.000 0.622 1110 A CB 0.111 18.944 19.000 -0.279 0.000 0.824 1110 A HN 0.067 nan 8.150 nan 0.000 0.444 1111 V N 1.141 120.980 119.914 -0.124 0.000 2.333 1111 V HA 0.192 4.321 4.120 0.014 0.000 0.274 1111 V C -1.671 174.372 176.094 -0.085 0.000 1.028 1111 V CA -1.155 61.056 62.300 -0.150 0.000 0.851 1111 V CB 1.108 32.836 31.823 -0.160 0.000 1.000 1111 V HN 0.191 nan 8.190 nan 0.000 0.456 1112 P HA -0.247 nan 4.420 nan 0.000 0.219 1112 P C 1.836 179.095 177.300 -0.068 0.000 1.161 1112 P CA 2.194 65.261 63.100 -0.056 0.000 0.909 1112 P CB 0.122 31.792 31.700 -0.051 0.000 0.793 1113 S N -1.714 113.932 115.700 -0.090 0.000 2.481 1113 S HA -0.016 4.462 4.470 0.014 0.000 0.231 1113 S C 0.913 175.457 174.600 -0.094 0.000 0.996 1113 S CA 0.325 58.463 58.200 -0.105 0.000 0.942 1113 S CB -1.067 62.047 63.200 -0.143 0.000 0.768 1113 S HN 0.036 nan 8.310 nan 0.000 0.520 1114 I N 2.274 122.794 120.570 -0.083 0.000 2.337 1114 I HA 0.218 4.396 4.170 0.014 0.000 0.291 1114 I C 0.773 176.845 176.117 -0.075 0.000 1.046 1114 I CA -0.094 61.155 61.300 -0.085 0.000 1.324 1114 I CB 1.014 38.964 38.000 -0.083 0.000 1.409 1114 I HN 0.303 nan 8.210 nan 0.000 0.494 1115 E N 5.391 125.541 120.200 -0.083 0.000 2.434 1115 E HA 0.241 4.600 4.350 0.014 0.000 0.207 1115 E C 0.101 176.652 176.600 -0.081 0.000 0.929 1115 E CA 0.136 56.495 56.400 -0.069 0.000 1.001 1115 E CB 1.189 30.851 29.700 -0.063 0.000 1.016 1115 E HN 0.561 nan 8.360 nan 0.000 0.502 1116 M N 1.678 121.210 119.600 -0.113 0.000 2.421 1116 M HA 0.332 4.821 4.480 0.014 0.000 0.287 1116 M C -1.921 174.250 176.300 -0.215 0.000 1.183 1116 M CA -0.877 54.337 55.300 -0.143 0.000 0.916 1116 M CB 2.350 34.873 32.600 -0.129 0.000 1.701 1116 M HN -0.110 nan 8.290 nan 0.000 0.470 1117 V N 1.066 120.805 119.914 -0.291 0.000 3.007 1117 V HA 0.881 5.010 4.120 0.014 0.000 0.311 1117 V C -1.380 174.359 176.094 -0.593 0.000 1.120 1117 V CA -0.828 61.197 62.300 -0.459 0.000 0.980 1117 V CB 1.905 33.407 31.823 -0.535 0.000 1.033 1117 V HN 0.982 nan 8.190 nan 0.000 0.429 1118 R N 1.881 121.922 120.500 -0.766 0.000 2.476 1118 R HA 0.646 4.994 4.340 0.014 0.000 0.305 1118 R C -1.718 174.247 176.300 -0.558 0.000 0.965 1118 R CA -0.816 54.877 56.100 -0.678 0.000 0.867 1118 R CB 1.064 30.858 30.300 -0.843 0.000 1.176 1118 R HN 0.692 nan 8.270 nan 0.000 0.447 1119 F N 4.477 124.356 119.950 -0.118 0.000 2.399 1119 F HA 0.447 4.981 4.527 0.012 0.000 0.342 1119 F C 0.933 176.743 175.800 0.017 0.000 1.106 1119 F CA -0.027 57.951 58.000 -0.036 0.000 1.196 1119 F CB 1.217 40.198 39.000 -0.033 0.000 1.163 1119 F HN 0.387 nan 8.300 nan 0.000 0.547 1120 V N -0.175 119.895 119.914 0.261 0.000 3.204 1120 V HA 0.506 4.634 4.120 0.014 0.000 0.308 1120 V C -0.436 175.744 176.094 0.144 0.000 1.324 1120 V CA -0.900 61.512 62.300 0.187 0.000 1.042 1120 V CB 1.780 33.721 31.823 0.196 0.000 1.167 1120 V HN 0.654 nan 8.190 nan 0.000 0.478 1121 N N 0.438 119.200 118.700 0.103 0.000 2.205 1121 N HA 0.387 5.136 4.740 0.014 0.000 0.201 1121 N C -0.022 175.532 175.510 0.074 0.000 1.128 1121 N CA 0.615 53.711 53.050 0.077 0.000 0.867 1121 N CB 0.617 39.139 38.487 0.058 0.000 0.996 1121 N HN 0.967 nan 8.380 nan 0.000 0.503 1122 S N -2.975 112.774 115.700 0.082 0.000 2.636 1122 S HA 0.472 4.950 4.470 0.014 0.000 0.266 1122 S C 0.788 175.430 174.600 0.070 0.000 1.147 1122 S CA -0.564 57.681 58.200 0.075 0.000 0.815 1122 S CB 0.760 64.002 63.200 0.070 0.000 1.119 1122 S HN -0.031 nan 8.310 nan 0.000 0.470 1123 G N 0.518 109.357 108.800 0.063 0.000 2.422 1123 G HA2 0.017 3.985 3.960 0.014 0.000 0.218 1123 G HA3 0.017 3.985 3.960 0.014 0.000 0.218 1123 G C 1.038 175.932 174.900 -0.010 0.000 1.140 1123 G CA 1.397 46.523 45.100 0.043 0.000 0.775 1123 G HN 0.767 nan 8.290 nan 0.000 0.545 1124 T N 0.772 115.310 114.554 -0.026 0.000 2.746 1124 T HA -0.070 4.288 4.350 0.014 0.000 0.267 1124 T C 2.200 176.850 174.700 -0.084 0.000 1.039 1124 T CA 1.486 63.521 62.100 -0.108 0.000 1.142 1124 T CB -0.117 68.638 68.868 -0.189 0.000 0.866 1124 T HN 0.454 nan 8.240 nan 0.000 0.444 1125 E N 0.750 120.928 120.200 -0.037 0.000 2.072 1125 E HA -0.010 4.348 4.350 0.014 0.000 0.191 1125 E C 2.580 179.154 176.600 -0.043 0.000 0.985 1125 E CA 0.841 57.225 56.400 -0.026 0.000 0.801 1125 E CB -0.172 29.542 29.700 0.023 0.000 0.750 1125 E HN 0.453 nan 8.360 nan 0.000 0.452 1126 A N 0.906 123.730 122.820 0.007 0.000 1.877 1126 A HA -0.205 4.123 4.320 0.014 0.000 0.216 1126 A C 2.448 179.969 177.584 -0.106 0.000 1.186 1126 A CA 1.320 53.363 52.037 0.009 0.000 0.620 1126 A CB -0.890 18.179 19.000 0.115 0.000 0.822 1126 A HN 0.356 nan 8.150 nan 0.000 0.443 1127 C N -1.241 118.034 119.300 -0.043 0.000 2.446 1127 C HA -0.080 4.388 4.460 0.014 0.000 0.277 1127 C C 2.786 177.874 174.990 0.163 0.000 1.275 1127 C CA 1.322 60.349 59.018 0.014 0.000 1.727 1127 C CB -1.183 26.496 27.740 -0.101 0.000 2.010 1127 C HN 0.758 nan 8.230 nan 0.000 0.486 1128 M N 1.344 120.994 119.600 0.084 0.000 2.159 1128 M HA -0.135 4.354 4.480 0.014 0.000 0.263 1128 M C 2.225 178.433 176.300 -0.153 0.000 1.063 1128 M CA 2.115 57.398 55.300 -0.027 0.000 1.110 1128 M CB -0.248 32.307 32.600 -0.075 0.000 1.374 1128 M HN 0.353 nan 8.290 nan 0.000 0.411 1129 A N -0.669 121.980 122.820 -0.286 0.000 1.873 1129 A HA -0.120 4.208 4.320 0.014 0.000 0.215 1129 A C 2.100 179.368 177.584 -0.526 0.000 1.186 1129 A CA 1.642 53.361 52.037 -0.531 0.000 0.616 1129 A CB -1.236 17.108 19.000 -1.094 0.000 0.823 1129 A HN 0.416 nan 8.150 nan 0.000 0.442 1130 V N 0.010 119.650 119.914 -0.456 0.000 2.594 1130 V HA -0.168 3.960 4.120 0.014 0.000 0.253 1130 V C 2.232 178.279 176.094 -0.079 0.000 1.069 1130 V CA 1.786 63.962 62.300 -0.207 0.000 1.082 1130 V CB -0.287 31.489 31.823 -0.079 0.000 0.680 1130 V HN 0.608 nan 8.190 nan 0.000 0.469 1131 L N -0.249 120.941 121.223 -0.055 0.000 2.005 1131 L HA -0.176 4.172 4.340 0.014 0.000 0.207 1131 L C 2.812 179.626 176.870 -0.093 0.000 1.072 1131 L CA 1.975 56.774 54.840 -0.068 0.000 0.744 1131 L CB -0.406 41.516 42.059 -0.228 0.000 0.895 1131 L HN 0.281 nan 8.230 nan 0.000 0.433 1132 R N -0.489 119.942 120.500 -0.114 0.000 2.096 1132 R HA -0.211 4.137 4.340 0.014 0.000 0.235 1132 R C 2.067 178.348 176.300 -0.032 0.000 1.127 1132 R CA 1.604 57.657 56.100 -0.078 0.000 0.968 1132 R CB -0.413 29.838 30.300 -0.081 0.000 0.861 1132 R HN 0.325 nan 8.270 nan 0.000 0.440 1133 I N 0.792 121.341 120.570 -0.035 0.000 2.353 1133 I HA -0.187 3.991 4.170 0.014 0.000 0.248 1133 I C 1.943 178.101 176.117 0.069 0.000 1.119 1133 I CA 1.388 62.706 61.300 0.030 0.000 1.417 1133 I CB -0.024 38.002 38.000 0.043 0.000 1.078 1133 I HN 0.124 nan 8.210 nan 0.000 0.421 1134 M N -0.192 119.432 119.600 0.040 0.000 2.065 1134 M HA -0.211 4.277 4.480 0.014 0.000 0.259 1134 M C 2.362 178.711 176.300 0.082 0.000 1.069 1134 M CA 1.833 57.176 55.300 0.072 0.000 1.110 1134 M CB -0.525 32.098 32.600 0.038 0.000 1.328 1134 M HN 0.141 nan 8.290 nan 0.000 0.405 1135 R N 0.118 120.636 120.500 0.030 0.000 2.092 1135 R HA -0.009 4.339 4.340 0.014 0.000 0.231 1135 R C 2.308 178.624 176.300 0.027 0.000 1.119 1135 R CA 1.387 57.494 56.100 0.012 0.000 0.970 1135 R CB -0.592 29.693 30.300 -0.024 0.000 0.864 1135 R HN 0.370 nan 8.270 nan 0.000 0.440 1136 A N 0.650 123.498 122.820 0.047 0.000 1.930 1136 A HA -0.190 4.139 4.320 0.014 0.000 0.217 1136 A C 1.959 179.594 177.584 0.085 0.000 1.175 1136 A CA 0.950 53.021 52.037 0.056 0.000 0.627 1136 A CB -0.542 18.497 19.000 0.064 0.000 0.815 1136 A HN 0.389 nan 8.150 nan 0.000 0.443 1137 Y N 1.534 121.837 120.300 0.004 0.000 2.184 1137 Y HA -0.154 4.403 4.550 0.013 0.000 0.290 1137 Y C 2.869 178.774 175.900 0.007 0.000 1.129 1137 Y CA 2.334 60.439 58.100 0.008 0.000 1.144 1137 Y CB -0.527 37.940 38.460 0.011 0.000 0.995 1137 Y HN 0.412 nan 8.280 nan 0.000 0.513 1138 T N -3.591 110.938 114.554 -0.041 0.000 3.014 1138 T HA 0.194 4.553 4.350 0.014 0.000 0.263 1138 T C 1.814 176.456 174.700 -0.096 0.000 1.078 1138 T CA 0.885 62.920 62.100 -0.108 0.000 1.135 1138 T CB -0.620 68.264 68.868 0.027 0.000 0.895 1138 T HN 0.689 nan 8.240 nan 0.000 0.480 1139 G N 1.664 110.431 108.800 -0.056 0.000 2.159 1139 G HA2 -0.229 3.739 3.960 0.014 0.000 0.256 1139 G HA3 -0.229 3.739 3.960 0.014 0.000 0.256 1139 G C 0.109 174.989 174.900 -0.032 0.000 0.977 1139 G CA -0.013 45.059 45.100 -0.047 0.000 0.652 1139 G HN 0.715 nan 8.290 nan 0.000 0.531 1140 R N -0.321 120.165 120.500 -0.023 0.000 2.604 1140 R HA 0.546 4.895 4.340 0.014 0.000 0.287 1140 R C -0.156 176.125 176.300 -0.031 0.000 0.970 1140 R CA -0.530 55.555 56.100 -0.024 0.000 0.946 1140 R CB 0.924 31.215 30.300 -0.015 0.000 1.127 1140 R HN 0.049 nan 8.270 nan 0.000 0.473 1141 D N 0.622 120.996 120.400 -0.043 0.000 2.389 1141 D HA 0.050 4.699 4.640 0.014 0.000 0.206 1141 D C -0.350 175.908 176.300 -0.070 0.000 1.055 1141 D CA 0.691 54.659 54.000 -0.053 0.000 0.856 1141 D CB 0.524 41.294 40.800 -0.050 0.000 0.957 1141 D HN 0.143 nan 8.370 nan 0.000 0.509 1142 K N 0.570 120.921 120.400 -0.081 0.000 2.156 1142 K HA 0.500 4.828 4.320 0.014 0.000 0.271 1142 K C -0.643 175.886 176.600 -0.119 0.000 0.995 1142 K CA -0.673 55.551 56.287 -0.105 0.000 0.890 1142 K CB 2.037 34.462 32.500 -0.124 0.000 1.073 1142 K HN -0.145 nan 8.250 nan 0.000 0.454 1143 I N 2.465 122.966 120.570 -0.115 0.000 2.693 1143 I HA 0.378 4.556 4.170 0.014 0.000 0.303 1143 I C -0.472 175.566 176.117 -0.132 0.000 1.025 1143 I CA -0.590 60.650 61.300 -0.101 0.000 1.086 1143 I CB 1.753 39.722 38.000 -0.051 0.000 1.268 1143 I HN 0.460 nan 8.210 nan 0.000 0.440 1144 I N 4.844 125.324 120.570 -0.150 0.000 2.382 1144 I HA 0.364 4.543 4.170 0.014 0.000 0.286 1144 I C -0.661 175.330 176.117 -0.210 0.000 1.002 1144 I CA -0.651 60.516 61.300 -0.223 0.000 1.135 1144 I CB 1.012 38.828 38.000 -0.306 0.000 1.288 1144 I HN 0.557 nan 8.210 nan 0.000 0.448 1145 K N 5.310 125.601 120.400 -0.181 0.000 2.340 1145 K HA 0.682 5.010 4.320 0.014 0.000 0.244 1145 K C -1.332 175.150 176.600 -0.197 0.000 0.973 1145 K CA -0.663 55.586 56.287 -0.063 0.000 0.828 1145 K CB 1.775 34.383 32.500 0.181 0.000 1.226 1145 K HN 0.108 nan 8.250 nan 0.000 0.437 1146 F N 0.885 120.972 119.950 0.229 0.000 2.399 1146 F HA 0.231 4.766 4.527 0.014 0.000 0.328 1146 F C 0.726 176.609 175.800 0.137 0.000 1.084 1146 F CA -0.581 57.554 58.000 0.226 0.000 1.053 1146 F CB 1.489 40.723 39.000 0.390 0.000 1.209 1146 F HN 0.667 nan 8.300 nan 0.000 0.502 1147 E N 0.937 121.329 120.200 0.320 0.000 2.366 1147 E HA 0.347 4.705 4.350 0.014 0.000 0.266 1147 E C 0.930 177.562 176.600 0.053 0.000 1.015 1147 E CA 0.915 57.421 56.400 0.176 0.000 0.906 1147 E CB 0.210 30.053 29.700 0.238 0.000 0.979 1147 E HN 0.861 nan 8.360 nan 0.000 0.443 1148 G N 3.332 111.966 108.800 -0.277 0.000 2.234 1148 G HA2 -0.275 3.693 3.960 0.014 0.000 0.235 1148 G HA3 -0.275 3.693 3.960 0.014 0.000 0.235 1148 G C 0.241 174.933 174.900 -0.348 0.000 0.997 1148 G CA -0.031 44.686 45.100 -0.638 0.000 0.623 1148 G HN 0.658 nan 8.290 nan 0.000 0.514 1149 C N 0.392 119.588 119.300 -0.173 0.000 2.534 1149 C HA 0.674 5.143 4.460 0.014 0.000 0.385 1149 C C 0.131 174.933 174.990 -0.315 0.000 1.264 1149 C CA -0.264 58.621 59.018 -0.222 0.000 2.342 1149 C CB 0.384 28.070 27.740 -0.090 0.000 2.564 1149 C HN 0.437 nan 8.230 nan 0.000 0.603 1150 Y N 2.029 121.973 120.300 -0.593 0.000 2.391 1150 Y HA 0.437 4.996 4.550 0.014 0.000 0.341 1150 Y C 0.189 175.666 175.900 -0.706 0.000 0.965 1150 Y CA -0.469 57.328 58.100 -0.504 0.000 1.067 1150 Y CB 0.601 38.908 38.460 -0.256 0.000 1.199 1150 Y HN 0.769 nan 8.280 nan 0.000 0.450 1151 H N 4.571 123.111 119.070 -0.883 0.000 2.674 1151 H HA 0.445 5.009 4.556 0.014 0.000 0.235 1151 H C 0.653 175.406 175.328 -0.958 0.000 1.330 1151 H CA 0.001 55.458 56.048 -0.985 0.000 1.052 1151 H CB 0.397 29.263 29.762 -1.493 0.000 1.954 1151 H HN 0.968 nan 8.280 nan 0.000 0.566 1152 G N 1.289 109.334 108.800 -1.259 0.000 2.796 1152 G HA2 -0.272 3.696 3.960 0.014 0.000 0.571 1152 G HA3 -0.272 3.696 3.960 0.014 0.000 0.571 1152 G C 0.124 174.827 174.900 -0.328 0.000 1.370 1152 G CA -0.125 44.585 45.100 -0.651 0.000 0.856 1152 G HN 0.714 nan 8.290 nan 0.000 0.538 1153 H N -0.935 118.148 119.070 0.022 0.000 2.537 1153 H HA 0.727 5.291 4.556 0.014 0.000 0.295 1153 H C 1.180 176.571 175.328 0.105 0.000 1.054 1153 H CA 0.757 56.877 56.048 0.120 0.000 1.156 1153 H CB -0.235 29.614 29.762 0.144 0.000 1.468 1153 H HN 1.149 nan 8.280 nan 0.000 0.551 1154 A N 0.784 123.599 122.820 -0.008 0.000 2.498 1154 A HA -0.013 4.315 4.320 0.014 0.000 0.239 1154 A C 0.791 178.364 177.584 -0.019 0.000 1.068 1154 A CA 0.039 52.052 52.037 -0.040 0.000 0.766 1154 A CB 0.209 19.150 19.000 -0.098 0.000 1.003 1154 A HN 0.484 nan 8.150 nan 0.000 0.497 1155 D N 1.732 122.108 120.400 -0.041 0.000 2.204 1155 D HA -0.246 4.402 4.640 0.014 0.000 0.189 1155 D C 1.777 178.027 176.300 -0.082 0.000 1.006 1155 D CA 2.334 56.312 54.000 -0.037 0.000 0.855 1155 D CB -0.291 40.480 40.800 -0.048 0.000 0.946 1155 D HN 0.690 nan 8.370 nan 0.000 0.448 1156 M N -0.949 118.519 119.600 -0.221 0.000 2.435 1156 M HA -0.123 4.365 4.480 0.014 0.000 0.262 1156 M C 1.560 177.752 176.300 -0.179 0.000 1.065 1156 M CA 1.009 56.154 55.300 -0.259 0.000 1.076 1156 M CB -0.216 32.143 32.600 -0.401 0.000 1.403 1156 M HN 0.033 nan 8.290 nan 0.000 0.454 1157 F N -0.718 119.226 119.950 -0.010 0.000 2.743 1157 F HA 0.088 4.623 4.527 0.013 0.000 0.297 1157 F C 1.016 176.829 175.800 0.022 0.000 1.131 1157 F CA -0.253 57.752 58.000 0.007 0.000 1.426 1157 F CB 0.161 39.148 39.000 -0.022 0.000 1.116 1157 F HN -0.034 nan 8.300 nan 0.000 0.583 1158 L N 2.015 123.348 121.223 0.183 0.000 2.803 1158 L HA 0.107 4.455 4.340 0.014 0.000 0.241 1158 L C -0.736 176.192 176.870 0.097 0.000 1.404 1158 L CA -0.112 54.814 54.840 0.144 0.000 1.211 1158 L CB -0.781 41.348 42.059 0.117 0.000 1.585 1158 L HN -0.121 nan 8.230 nan 0.000 0.430 1159 V N 0.104 120.080 119.914 0.104 0.000 2.409 1159 V HA 0.210 4.339 4.120 0.014 0.000 0.290 1159 V C 0.378 176.509 176.094 0.061 0.000 1.017 1159 V CA -1.127 61.215 62.300 0.069 0.000 0.841 1159 V CB 1.393 33.252 31.823 0.060 0.000 1.003 1159 V HN 0.465 nan 8.190 nan 0.000 0.426 1160 K N 1.719 122.145 120.400 0.042 0.000 3.148 1160 K HA -0.209 4.119 4.320 0.014 0.000 0.267 1160 K C 0.487 177.063 176.600 -0.041 0.000 0.996 1160 K CA 0.722 57.024 56.287 0.024 0.000 0.737 1160 K CB -0.777 31.756 32.500 0.056 0.000 1.308 1160 K HN 0.959 nan 8.250 nan 0.000 0.470 1161 A N 0.411 123.213 122.820 -0.029 0.000 2.340 1161 A HA 0.636 4.964 4.320 0.014 0.000 0.268 1161 A C 1.082 178.545 177.584 -0.202 0.000 1.100 1161 A CA 0.262 52.276 52.037 -0.039 0.000 0.803 1161 A CB 0.813 19.887 19.000 0.124 0.000 1.043 1161 A HN 0.433 nan 8.150 nan 0.000 0.488 1162 G N -0.208 108.447 108.800 -0.242 0.000 2.714 1162 G HA2 0.485 4.453 3.960 0.014 0.000 0.197 1162 G HA3 0.485 4.453 3.960 0.014 0.000 0.197 1162 G C 0.668 175.382 174.900 -0.310 0.000 1.449 1162 G CA 0.618 45.488 45.100 -0.382 0.000 1.065 1162 G HN 2.023 nan 8.290 nan 0.000 0.575 1163 S N -2.221 113.316 115.700 -0.271 0.000 3.525 1163 S HA -0.218 4.260 4.470 0.014 0.000 0.629 1163 S C 1.962 176.403 174.600 -0.265 0.000 2.621 1163 S CA 1.742 59.746 58.200 -0.326 0.000 3.752 1163 S CB -1.555 61.173 63.200 -0.787 0.000 0.260 1163 S HN 2.073 nan 8.310 nan 0.000 1.214 1164 G N 0.445 109.045 108.800 -0.333 0.000 2.503 1164 G HA2 -0.169 3.799 3.960 0.014 0.000 0.221 1164 G HA3 -0.169 3.799 3.960 0.014 0.000 0.221 1164 G C 1.579 176.396 174.900 -0.139 0.000 1.131 1164 G CA 1.640 46.620 45.100 -0.201 0.000 0.756 1164 G HN 0.949 nan 8.290 nan 0.000 0.572 1165 V N 1.233 121.044 119.914 -0.172 0.000 2.343 1165 V HA -0.144 3.985 4.120 0.014 0.000 0.247 1165 V C 3.266 179.295 176.094 -0.108 0.000 1.051 1165 V CA 2.118 64.355 62.300 -0.105 0.000 1.036 1165 V CB -0.764 31.010 31.823 -0.081 0.000 0.654 1165 V HN 0.506 nan 8.190 nan 0.000 0.451 1166 A N -0.390 122.319 122.820 -0.185 0.000 1.929 1166 A HA -0.154 4.174 4.320 0.014 0.000 0.216 1166 A C 2.388 179.867 177.584 -0.175 0.000 1.176 1166 A CA 2.145 54.011 52.037 -0.284 0.000 0.628 1166 A CB -0.801 17.858 19.000 -0.568 0.000 0.816 1166 A HN 0.502 nan 8.150 nan 0.000 0.444 1167 T N 0.492 115.056 114.554 0.017 0.000 2.777 1167 T HA -0.021 4.337 4.350 0.014 0.000 0.266 1167 T C 1.590 176.354 174.700 0.108 0.000 1.040 1167 T CA 1.322 63.536 62.100 0.190 0.000 1.141 1167 T CB -0.309 68.646 68.868 0.146 0.000 0.868 1167 T HN 0.328 nan 8.240 nan 0.000 0.444 1168 L N 0.651 121.898 121.223 0.040 0.000 2.599 1168 L HA 0.245 4.594 4.340 0.014 0.000 0.230 1168 L C 1.782 178.671 176.870 0.032 0.000 1.141 1168 L CA 0.170 55.032 54.840 0.037 0.000 0.877 1168 L CB -0.649 41.419 42.059 0.015 0.000 1.009 1168 L HN 0.469 nan 8.230 nan 0.000 0.447 1169 G N 0.735 109.548 108.800 0.022 0.000 2.283 1169 G HA2 -0.265 3.704 3.960 0.014 0.000 0.280 1169 G HA3 -0.265 3.704 3.960 0.014 0.000 0.280 1169 G C -0.059 174.849 174.900 0.013 0.000 1.029 1169 G CA -0.090 45.021 45.100 0.018 0.000 0.840 1169 G HN 0.099 nan 8.290 nan 0.000 0.505 1170 L N 0.740 121.965 121.223 0.003 0.000 2.421 1170 L HA 0.649 4.997 4.340 0.014 0.000 0.263 1170 L C -0.496 176.380 176.870 0.010 0.000 1.122 1170 L CA -2.090 52.754 54.840 0.007 0.000 0.804 1170 L CB 0.251 42.312 42.059 0.003 0.000 1.150 1170 L HN 0.161 nan 8.230 nan 0.000 0.457 1171 P HA 0.278 nan 4.420 nan 0.000 0.301 1171 P C -0.824 176.489 177.300 0.021 0.000 1.309 1171 P CA -0.658 62.453 63.100 0.019 0.000 0.782 1171 P CB 0.632 32.342 31.700 0.017 0.000 1.282 1172 S N 0.063 115.778 115.700 0.025 0.000 2.544 1172 S HA 0.033 4.511 4.470 0.014 0.000 0.290 1172 S C 0.757 175.374 174.600 0.029 0.000 1.276 1172 S CA 0.036 58.255 58.200 0.031 0.000 1.075 1172 S CB -0.575 62.642 63.200 0.029 0.000 0.849 1172 S HN 0.567 nan 8.310 nan 0.000 0.494 1173 S N 5.167 120.889 115.700 0.037 0.000 2.593 1173 S HA 0.078 4.556 4.470 0.014 0.000 0.300 1173 S C -1.505 173.111 174.600 0.026 0.000 1.267 1173 S CA -1.015 57.206 58.200 0.034 0.000 1.065 1173 S CB 0.038 63.267 63.200 0.049 0.000 0.807 1173 S HN 0.504 nan 8.310 nan 0.000 0.499 1174 P HA 0.379 nan 4.420 nan 0.000 0.279 1174 P C 0.934 178.243 177.300 0.016 0.000 1.282 1174 P CA 0.395 63.504 63.100 0.015 0.000 0.788 1174 P CB 0.044 31.750 31.700 0.011 0.000 1.139 1175 G N -1.881 106.926 108.800 0.012 0.000 2.199 1175 G HA2 -0.177 3.791 3.960 0.014 0.000 0.254 1175 G HA3 -0.177 3.791 3.960 0.014 0.000 0.254 1175 G C -0.180 174.727 174.900 0.012 0.000 0.982 1175 G CA 0.096 45.203 45.100 0.012 0.000 0.632 1175 G HN 0.544 nan 8.290 nan 0.000 0.529 1176 V N 1.960 121.881 119.914 0.011 0.000 2.370 1176 V HA 0.498 4.626 4.120 0.014 0.000 0.283 1176 V C -1.715 174.378 176.094 -0.002 0.000 1.023 1176 V CA -1.708 60.595 62.300 0.005 0.000 0.857 1176 V CB 1.565 33.394 31.823 0.009 0.000 0.985 1176 V HN 0.119 nan 8.190 nan 0.000 0.443 1177 P HA 0.147 nan 4.420 nan 0.000 0.263 1177 P C 0.630 177.922 177.300 -0.014 0.000 1.195 1177 P CA -0.036 63.057 63.100 -0.011 0.000 0.762 1177 P CB 0.509 32.200 31.700 -0.014 0.000 0.799 1178 K N 2.703 123.097 120.400 -0.011 0.000 2.211 1178 K HA -0.216 4.112 4.320 0.014 0.000 0.204 1178 K C 1.609 178.197 176.600 -0.019 0.000 1.047 1178 K CA 1.573 57.853 56.287 -0.013 0.000 0.935 1178 K CB -0.123 32.372 32.500 -0.009 0.000 0.728 1178 K HN 0.465 nan 8.250 nan 0.000 0.452 1179 K N 0.506 120.893 120.400 -0.020 0.000 2.288 1179 K HA -0.086 4.242 4.320 0.014 0.000 0.201 1179 K C 1.878 178.458 176.600 -0.034 0.000 1.048 1179 K CA 1.765 58.036 56.287 -0.025 0.000 0.956 1179 K CB -0.538 31.949 32.500 -0.023 0.000 0.746 1179 K HN 0.134 nan 8.250 nan 0.000 0.461 1180 T N -1.854 112.678 114.554 -0.036 0.000 2.937 1180 T HA -0.098 4.260 4.350 0.014 0.000 0.260 1180 T C 2.028 176.694 174.700 -0.058 0.000 1.051 1180 T CA 1.149 63.218 62.100 -0.051 0.000 1.141 1180 T CB -0.888 67.948 68.868 -0.053 0.000 0.879 1180 T HN 0.393 nan 8.240 nan 0.000 0.459 1181 T N -0.179 114.349 114.554 -0.043 0.000 3.085 1181 T HA 0.411 4.769 4.350 0.014 0.000 0.263 1181 T C 2.187 176.864 174.700 -0.038 0.000 1.127 1181 T CA 0.572 62.649 62.100 -0.039 0.000 1.103 1181 T CB -0.523 68.334 68.868 -0.019 0.000 0.921 1181 T HN 0.481 nan 8.240 nan 0.000 0.510 1182 A N 2.782 125.579 122.820 -0.038 0.000 1.972 1182 A HA -0.066 4.262 4.320 0.014 0.000 0.219 1182 A C 2.222 179.776 177.584 -0.050 0.000 1.169 1182 A CA 1.128 53.143 52.037 -0.038 0.000 0.635 1182 A CB -0.573 18.406 19.000 -0.034 0.000 0.810 1182 A HN 0.495 nan 8.150 nan 0.000 0.446 1183 N N 0.122 118.786 118.700 -0.060 0.000 2.521 1183 N HA -0.014 4.735 4.740 0.014 0.000 0.188 1183 N C -0.479 174.982 175.510 -0.083 0.000 1.146 1183 N CA 0.566 53.572 53.050 -0.074 0.000 0.893 1183 N CB 0.045 38.486 38.487 -0.078 0.000 0.975 1183 N HN 0.278 nan 8.380 nan 0.000 0.451 1184 T N 2.159 116.672 114.554 -0.069 0.000 2.929 1184 T HA 0.338 4.697 4.350 0.014 0.000 0.331 1184 T C 0.061 174.727 174.700 -0.057 0.000 1.120 1184 T CA -0.566 61.498 62.100 -0.059 0.000 0.973 1184 T CB 0.735 69.583 68.868 -0.033 0.000 1.036 1184 T HN -0.136 nan 8.240 nan 0.000 0.502 1185 L N 3.855 125.025 121.223 -0.088 0.000 2.371 1185 L HA 0.544 4.892 4.340 0.014 0.000 0.272 1185 L C 1.136 177.945 176.870 -0.101 0.000 1.124 1185 L CA -0.192 54.588 54.840 -0.100 0.000 0.816 1185 L CB 0.583 42.553 42.059 -0.149 0.000 1.129 1185 L HN 0.635 nan 8.230 nan 0.000 0.448 1186 T N -1.575 112.936 114.554 -0.071 0.000 2.887 1186 T HA 0.789 5.148 4.350 0.014 0.000 0.288 1186 T C -0.265 174.410 174.700 -0.042 0.000 1.021 1186 T CA -0.698 61.367 62.100 -0.058 0.000 1.000 1186 T CB 1.935 70.808 68.868 0.009 0.000 1.034 1186 T HN 0.681 nan 8.240 nan 0.000 0.467 1187 T N 1.353 115.887 114.554 -0.033 0.000 2.900 1187 T HA 0.645 5.003 4.350 0.014 0.000 0.303 1187 T C -3.173 171.729 174.700 0.337 0.000 1.142 1187 T CA -1.829 60.331 62.100 0.100 0.000 1.007 1187 T CB 1.593 70.499 68.868 0.063 0.000 1.156 1187 T HN 0.447 nan 8.240 nan 0.000 0.490 1188 P HA 0.200 nan 4.420 nan 0.000 0.271 1188 P C -1.124 176.409 177.300 0.389 0.000 1.216 1188 P CA -0.244 63.041 63.100 0.309 0.000 0.771 1188 P CB -0.004 31.797 31.700 0.167 0.000 0.864 1189 Y N 3.586 123.973 120.300 0.146 0.000 2.597 1189 Y HA -0.087 4.471 4.550 0.013 0.000 0.336 1189 Y C 1.334 176.922 175.900 -0.520 0.000 1.216 1189 Y CA 1.157 59.103 58.100 -0.257 0.000 1.463 1189 Y CB -0.365 37.966 38.460 -0.215 0.000 1.303 1189 Y HN 0.601 nan 8.280 nan 0.000 0.576 1190 N N 1.834 119.430 118.700 -1.839 0.000 2.782 1190 N HA -0.259 4.490 4.740 0.014 0.000 0.251 1190 N C -1.478 173.614 175.510 -0.698 0.000 1.101 1190 N CA 0.813 52.782 53.050 -1.802 0.000 0.764 1190 N CB -0.671 37.336 38.487 -0.801 0.000 1.122 1190 N HN 0.536 nan 8.380 nan 0.000 0.561 1191 D N 0.875 121.114 120.400 -0.268 0.000 2.434 1191 D HA 0.233 4.882 4.640 0.014 0.000 0.275 1191 D C 1.099 177.563 176.300 0.273 0.000 1.172 1191 D CA -0.371 53.665 54.000 0.061 0.000 0.916 1191 D CB 0.374 41.240 40.800 0.109 0.000 1.041 1191 D HN 0.182 nan 8.370 nan 0.000 0.501 1192 L N 1.495 122.886 121.223 0.280 0.000 2.017 1192 L HA -0.148 4.200 4.340 0.014 0.000 0.208 1192 L C 2.180 179.167 176.870 0.195 0.000 1.073 1192 L CA 0.860 55.868 54.840 0.279 0.000 0.745 1192 L CB -0.128 42.055 42.059 0.206 0.000 0.894 1192 L HN 0.276 nan 8.230 nan 0.000 0.432 1193 E N 0.406 120.689 120.200 0.137 0.000 2.097 1193 E HA -0.249 4.109 4.350 0.014 0.000 0.196 1193 E C 2.271 178.942 176.600 0.119 0.000 1.000 1193 E CA 1.541 58.004 56.400 0.106 0.000 0.804 1193 E CB -0.336 29.408 29.700 0.072 0.000 0.740 1193 E HN 0.492 nan 8.360 nan 0.000 0.454 1194 A N 0.839 123.740 122.820 0.134 0.000 1.933 1194 A HA -0.139 4.189 4.320 0.014 0.000 0.218 1194 A C 2.600 180.268 177.584 0.140 0.000 1.175 1194 A CA 1.524 53.636 52.037 0.125 0.000 0.628 1194 A CB -0.503 18.581 19.000 0.140 0.000 0.814 1194 A HN 0.155 nan 8.150 nan 0.000 0.444 1195 V N 0.200 120.239 119.914 0.208 0.000 2.453 1195 V HA -0.177 3.952 4.120 0.014 0.000 0.247 1195 V C 2.424 178.693 176.094 0.292 0.000 1.048 1195 V CA 1.832 64.274 62.300 0.236 0.000 1.049 1195 V CB -0.540 31.485 31.823 0.337 0.000 0.672 1195 V HN 0.422 nan 8.190 nan 0.000 0.457 1196 K N 0.832 121.361 120.400 0.216 0.000 2.026 1196 K HA -0.116 4.212 4.320 0.014 0.000 0.208 1196 K C 2.348 179.047 176.600 0.166 0.000 1.048 1196 K CA 1.649 58.041 56.287 0.175 0.000 0.929 1196 K CB -0.756 31.811 32.500 0.111 0.000 0.713 1196 K HN 0.460 nan 8.250 nan 0.000 0.439 1197 A N 1.672 124.563 122.820 0.119 0.000 1.908 1197 A HA -0.140 4.188 4.320 0.014 0.000 0.218 1197 A C 2.362 179.981 177.584 0.057 0.000 1.181 1197 A CA 1.308 53.393 52.037 0.079 0.000 0.627 1197 A CB -0.713 18.322 19.000 0.059 0.000 0.818 1197 A HN 0.188 nan 8.150 nan 0.000 0.445 1198 L N -2.186 119.061 121.223 0.039 0.000 2.083 1198 L HA -0.190 4.159 4.340 0.014 0.000 0.209 1198 L C 2.492 179.286 176.870 -0.126 0.000 1.083 1198 L CA 1.371 56.172 54.840 -0.065 0.000 0.752 1198 L CB -0.540 41.437 42.059 -0.137 0.000 0.899 1198 L HN 0.396 nan 8.230 nan 0.000 0.433 1199 F N -0.172 119.692 119.950 -0.143 0.000 2.113 1199 F HA -0.190 4.345 4.527 0.014 0.000 0.297 1199 F C 2.606 178.318 175.800 -0.148 0.000 1.103 1199 F CA 1.270 59.116 58.000 -0.256 0.000 1.248 1199 F CB -0.622 38.015 39.000 -0.605 0.000 0.999 1199 F HN -0.004 nan 8.300 nan 0.000 0.475 1200 A N -0.226 122.666 122.820 0.119 0.000 2.019 1200 A HA -0.192 4.136 4.320 0.014 0.000 0.219 1200 A C 1.963 179.577 177.584 0.051 0.000 1.164 1200 A CA 1.816 53.911 52.037 0.097 0.000 0.644 1200 A CB -0.666 18.389 19.000 0.091 0.000 0.805 1200 A HN 0.493 nan 8.150 nan 0.000 0.449 1201 E N -0.350 119.861 120.200 0.018 0.000 2.385 1201 E HA 0.015 4.373 4.350 0.014 0.000 0.194 1201 E C -0.204 176.384 176.600 -0.021 0.000 1.013 1201 E CA 0.257 56.656 56.400 -0.003 0.000 0.866 1201 E CB 0.075 29.766 29.700 -0.015 0.000 0.832 1201 E HN 0.537 nan 8.360 nan 0.000 0.500 1202 N N 1.934 120.609 118.700 -0.042 0.000 2.696 1202 N HA 0.141 4.890 4.740 0.014 0.000 0.308 1202 N C -2.728 172.764 175.510 -0.030 0.000 1.915 1202 N CA -0.973 52.042 53.050 -0.057 0.000 0.906 1202 N CB 1.228 39.645 38.487 -0.117 0.000 1.284 1202 N HN 0.055 nan 8.380 nan 0.000 0.488 1203 P HA 0.000 nan 4.420 nan 0.000 0.262 1203 P C 0.938 178.267 177.300 0.049 0.000 1.199 1203 P CA 1.036 64.175 63.100 0.065 0.000 0.763 1203 P CB 0.494 32.235 31.700 0.068 0.000 0.790 1204 G N 3.403 112.249 108.800 0.077 0.000 2.153 1204 G HA2 -0.264 3.704 3.960 0.014 0.000 0.252 1204 G HA3 -0.264 3.704 3.960 0.014 0.000 0.252 1204 G C 0.548 175.456 174.900 0.014 0.000 0.994 1204 G CA 0.296 45.427 45.100 0.052 0.000 0.698 1204 G HN 0.605 nan 8.290 nan 0.000 0.521 1205 E N -0.936 119.255 120.200 -0.015 0.000 2.485 1205 E HA 0.205 4.563 4.350 0.014 0.000 0.213 1205 E C 0.571 177.120 176.600 -0.084 0.000 0.923 1205 E CA -0.441 55.929 56.400 -0.049 0.000 1.054 1205 E CB 0.741 30.403 29.700 -0.062 0.000 1.077 1205 E HN 0.430 nan 8.360 nan 0.000 0.509 1206 I N 1.986 122.485 120.570 -0.118 0.000 2.363 1206 I HA 0.096 4.275 4.170 0.014 0.000 0.292 1206 I C 1.277 177.363 176.117 -0.051 0.000 1.075 1206 I CA 0.037 61.223 61.300 -0.191 0.000 1.333 1206 I CB 0.425 38.112 38.000 -0.521 0.000 1.415 1206 I HN -0.008 nan 8.210 nan 0.000 0.502 1207 A N 5.389 128.183 122.820 -0.043 0.000 1.929 1207 A HA 0.387 4.715 4.320 0.014 0.000 0.216 1207 A C 1.135 178.754 177.584 0.058 0.000 1.176 1207 A CA 1.259 53.306 52.037 0.016 0.000 0.628 1207 A CB -0.173 18.828 19.000 0.002 0.000 0.816 1207 A HN 0.860 nan 8.150 nan 0.000 0.444 1208 G N -3.142 105.674 108.800 0.027 0.000 2.349 1208 G HA2 0.440 4.408 3.960 0.014 0.000 0.294 1208 G HA3 0.440 4.408 3.960 0.014 0.000 0.294 1208 G C -1.749 173.180 174.900 0.048 0.000 1.380 1208 G CA -0.050 45.098 45.100 0.080 0.000 0.811 1208 G HN 0.457 nan 8.290 nan 0.000 0.519 1209 V N 1.010 120.990 119.914 0.109 0.000 2.384 1209 V HA 0.607 4.735 4.120 0.014 0.000 0.287 1209 V C -0.037 176.137 176.094 0.133 0.000 1.020 1209 V CA -0.615 61.748 62.300 0.104 0.000 0.850 1209 V CB 1.237 33.179 31.823 0.199 0.000 0.987 1209 V HN 0.725 nan 8.190 nan 0.000 0.436 1210 I N 7.149 127.778 120.570 0.099 0.000 2.493 1210 I HA 0.821 4.999 4.170 0.014 0.000 0.298 1210 I C -0.917 175.318 176.117 0.196 0.000 0.998 1210 I CA -0.602 60.735 61.300 0.062 0.000 1.137 1210 I CB 1.523 39.448 38.000 -0.125 0.000 1.310 1210 I HN 0.753 nan 8.210 nan 0.000 0.445 1211 L N 3.230 124.583 121.223 0.217 0.000 2.940 1211 L HA 0.531 4.880 4.340 0.014 0.000 0.270 1211 L C -1.730 175.302 176.870 0.269 0.000 1.030 1211 L CA -0.988 54.113 54.840 0.435 0.000 0.928 1211 L CB 1.798 44.209 42.059 0.587 0.000 1.506 1211 L HN 0.486 nan 8.230 nan 0.000 0.405 1212 E N 2.587 122.952 120.200 0.274 0.000 2.105 1212 E HA 0.242 4.600 4.350 0.014 0.000 0.285 1212 E C -1.832 174.751 176.600 -0.028 0.000 1.055 1212 E CA -1.722 54.719 56.400 0.068 0.000 0.843 1212 E CB 1.264 30.964 29.700 0.000 0.000 1.067 1212 E HN 0.480 nan 8.360 nan 0.000 0.398 1213 P HA -0.134 nan 4.420 nan 0.000 0.221 1213 P C 0.113 177.351 177.300 -0.103 0.000 1.145 1213 P CA 1.279 64.098 63.100 -0.467 0.000 0.795 1213 P CB 0.585 31.694 31.700 -0.985 0.000 0.775 1214 I N -0.705 119.803 120.570 -0.104 0.000 2.586 1214 I HA 0.147 4.325 4.170 0.014 0.000 0.288 1214 I C -0.421 175.582 176.117 -0.190 0.000 1.147 1214 I CA -1.125 60.103 61.300 -0.121 0.000 1.047 1214 I CB 3.157 41.079 38.000 -0.129 0.000 1.244 1214 I HN -0.408 nan 8.210 nan 0.000 0.429 1215 V N 5.069 124.771 119.914 -0.354 0.000 2.649 1215 V HA 0.406 4.534 4.120 0.014 0.000 0.292 1215 V C 1.028 177.008 176.094 -0.190 0.000 1.055 1215 V CA 0.330 62.421 62.300 -0.348 0.000 1.023 1215 V CB 1.329 32.792 31.823 -0.600 0.000 0.992 1215 V HN 1.027 nan 8.190 nan 0.000 0.480 1216 G N 1.845 110.617 108.800 -0.048 0.000 2.989 1216 G HA2 0.010 3.978 3.960 0.014 0.000 0.221 1216 G HA3 0.010 3.978 3.960 0.014 0.000 0.221 1216 G C 0.650 175.580 174.900 0.050 0.000 1.050 1216 G CA -0.165 44.974 45.100 0.066 0.000 0.913 1216 G HN 0.577 nan 8.290 nan 0.000 0.587 1217 N N 1.278 119.982 118.700 0.006 0.000 2.322 1217 N HA 0.036 4.785 4.740 0.014 0.000 0.194 1217 N C 0.784 176.276 175.510 -0.030 0.000 1.126 1217 N CA 0.756 53.804 53.050 -0.005 0.000 0.845 1217 N CB 0.694 39.170 38.487 -0.019 0.000 0.976 1217 N HN 0.360 nan 8.380 nan 0.000 0.475 1218 S N -1.236 114.484 115.700 0.033 0.000 2.825 1218 S HA 0.518 4.996 4.470 0.014 0.000 0.242 1218 S C 0.544 175.376 174.600 0.386 0.000 0.980 1218 S CA -0.139 58.174 58.200 0.189 0.000 1.107 1218 S CB 0.679 63.892 63.200 0.022 0.000 1.172 1218 S HN 0.342 nan 8.310 nan 0.000 0.483 1219 G N 1.572 110.512 108.800 0.233 0.000 2.725 1219 G HA2 -0.089 3.880 3.960 0.014 0.000 0.220 1219 G HA3 -0.089 3.880 3.960 0.014 0.000 0.220 1219 G C -0.770 174.230 174.900 0.166 0.000 1.357 1219 G CA -0.557 44.580 45.100 0.063 0.000 0.866 1219 G HN 0.875 nan 8.290 nan 0.000 0.548 1220 F N 0.881 120.821 119.950 -0.017 0.000 2.424 1220 F HA 0.751 5.287 4.527 0.014 0.000 0.356 1220 F C 0.584 176.495 175.800 0.185 0.000 1.110 1220 F CA -0.954 57.067 58.000 0.034 0.000 1.161 1220 F CB 0.370 39.342 39.000 -0.048 0.000 1.115 1220 F HN 0.438 nan 8.300 nan 0.000 0.507 1221 I N 7.078 127.377 120.570 -0.452 0.000 2.512 1221 I HA 0.301 4.479 4.170 0.014 0.000 0.287 1221 I C -1.106 174.712 176.117 -0.499 0.000 1.069 1221 I CA -1.008 60.061 61.300 -0.385 0.000 1.056 1221 I CB 1.925 39.758 38.000 -0.278 0.000 1.229 1221 I HN 0.155 nan 8.210 nan 0.000 0.429 1222 V N 7.159 126.859 119.914 -0.357 0.000 2.617 1222 V HA 0.404 4.532 4.120 0.014 0.000 0.298 1222 V C -1.975 174.142 176.094 0.038 0.000 1.048 1222 V CA -1.658 60.548 62.300 -0.157 0.000 0.964 1222 V CB 1.590 33.370 31.823 -0.073 0.000 1.004 1222 V HN 0.577 nan 8.190 nan 0.000 0.466 1223 P HA 0.156 nan 4.420 nan 0.000 0.271 1223 P C -0.814 176.515 177.300 0.048 0.000 1.216 1223 P CA -0.319 62.876 63.100 0.157 0.000 0.776 1223 P CB 0.732 32.638 31.700 0.342 0.000 0.881 1224 D N 0.848 121.230 120.400 -0.029 0.000 2.361 1224 D HA 0.183 4.831 4.640 0.014 0.000 0.239 1224 D C 0.609 176.926 176.300 0.030 0.000 1.200 1224 D CA 0.124 54.127 54.000 0.004 0.000 0.915 1224 D CB 0.416 41.223 40.800 0.012 0.000 1.170 1224 D HN 0.388 nan 8.370 nan 0.000 0.444 1225 A N 0.172 122.992 122.820 -0.001 0.000 2.567 1225 A HA 0.392 4.720 4.320 0.014 0.000 0.240 1225 A C 1.482 179.083 177.584 0.028 0.000 1.053 1225 A CA 0.728 52.754 52.037 -0.018 0.000 0.755 1225 A CB -0.432 18.552 19.000 -0.027 0.000 0.978 1225 A HN 0.846 nan 8.150 nan 0.000 0.507 1226 G N 1.271 110.087 108.800 0.027 0.000 2.205 1226 G HA2 -0.351 3.618 3.960 0.014 0.000 0.261 1226 G HA3 -0.351 3.618 3.960 0.014 0.000 0.261 1226 G C 0.826 175.785 174.900 0.098 0.000 0.980 1226 G CA 1.043 46.172 45.100 0.048 0.000 0.632 1226 G HN 1.359 nan 8.290 nan 0.000 0.533 1227 F N 1.272 121.193 119.950 -0.048 0.000 2.075 1227 F HA 0.138 4.674 4.527 0.014 0.000 0.297 1227 F C 2.541 178.321 175.800 -0.032 0.000 1.113 1227 F CA 2.231 60.184 58.000 -0.078 0.000 1.218 1227 F CB -0.489 38.406 39.000 -0.176 0.000 0.984 1227 F HN 0.207 nan 8.300 nan 0.000 0.472 1228 L N -0.284 120.885 121.223 -0.090 0.000 2.056 1228 L HA -0.173 4.175 4.340 0.014 0.000 0.207 1228 L C 2.303 179.158 176.870 -0.025 0.000 1.078 1228 L CA 1.453 56.243 54.840 -0.083 0.000 0.749 1228 L CB -0.803 41.360 42.059 0.174 0.000 0.901 1228 L HN 0.067 nan 8.230 nan 0.000 0.433 1229 E N 0.474 120.678 120.200 0.008 0.000 2.110 1229 E HA -0.155 4.204 4.350 0.014 0.000 0.193 1229 E C 2.210 178.793 176.600 -0.030 0.000 0.988 1229 E CA 1.261 57.662 56.400 0.002 0.000 0.804 1229 E CB -0.495 29.211 29.700 0.011 0.000 0.745 1229 E HN 0.460 nan 8.360 nan 0.000 0.458 1230 G N 0.504 109.277 108.800 -0.045 0.000 2.402 1230 G HA2 -0.215 3.753 3.960 0.014 0.000 0.216 1230 G HA3 -0.215 3.753 3.960 0.014 0.000 0.216 1230 G C 1.510 176.365 174.900 -0.075 0.000 1.162 1230 G CA 0.531 45.605 45.100 -0.044 0.000 0.777 1230 G HN 0.150 nan 8.290 nan 0.000 0.539 1231 L N 0.064 121.197 121.223 -0.150 0.000 2.083 1231 L HA -0.073 4.275 4.340 0.014 0.000 0.209 1231 L C 2.926 179.771 176.870 -0.041 0.000 1.083 1231 L CA 1.282 56.060 54.840 -0.103 0.000 0.752 1231 L CB -0.340 41.611 42.059 -0.180 0.000 0.899 1231 L HN 0.181 nan 8.230 nan 0.000 0.433 1232 R N 0.894 121.365 120.500 -0.047 0.000 2.075 1232 R HA -0.205 4.144 4.340 0.014 0.000 0.232 1232 R C 2.027 178.296 176.300 -0.051 0.000 1.126 1232 R CA 1.950 58.021 56.100 -0.050 0.000 0.963 1232 R CB -0.571 29.695 30.300 -0.057 0.000 0.858 1232 R HN 0.451 nan 8.270 nan 0.000 0.435 1233 E N 0.323 120.492 120.200 -0.053 0.000 2.023 1233 E HA -0.198 4.161 4.350 0.014 0.000 0.196 1233 E C 2.038 178.589 176.600 -0.082 0.000 1.003 1233 E CA 2.036 58.401 56.400 -0.058 0.000 0.809 1233 E CB -0.351 29.320 29.700 -0.047 0.000 0.755 1233 E HN 0.571 nan 8.360 nan 0.000 0.449 1234 I N -0.023 120.487 120.570 -0.099 0.000 2.315 1234 I HA -0.175 4.003 4.170 0.014 0.000 0.248 1234 I C 2.439 178.424 176.117 -0.220 0.000 1.117 1234 I CA 1.824 63.022 61.300 -0.171 0.000 1.404 1234 I CB -0.829 37.029 38.000 -0.236 0.000 1.071 1234 I HN 0.132 nan 8.210 nan 0.000 0.419 1235 T N 0.480 114.951 114.554 -0.138 0.000 2.746 1235 T HA -0.104 4.255 4.350 0.014 0.000 0.267 1235 T C 1.989 176.690 174.700 0.002 0.000 1.039 1235 T CA 1.508 63.595 62.100 -0.023 0.000 1.142 1235 T CB -0.949 67.965 68.868 0.076 0.000 0.866 1235 T HN 0.442 nan 8.240 nan 0.000 0.444 1236 L N 0.693 121.896 121.223 -0.033 0.000 2.046 1236 L HA -0.076 4.272 4.340 0.014 0.000 0.208 1236 L C 3.097 179.926 176.870 -0.069 0.000 1.077 1236 L CA 1.675 56.494 54.840 -0.034 0.000 0.747 1236 L CB -0.559 41.472 42.059 -0.047 0.000 0.896 1236 L HN 0.352 nan 8.230 nan 0.000 0.432 1237 E N -0.629 119.490 120.200 -0.135 0.000 2.118 1237 E HA -0.231 4.127 4.350 0.014 0.000 0.195 1237 E C 1.224 177.596 176.600 -0.381 0.000 0.992 1237 E CA 1.351 57.585 56.400 -0.277 0.000 0.804 1237 E CB 0.020 29.485 29.700 -0.391 0.000 0.741 1237 E HN 0.622 nan 8.360 nan 0.000 0.458 1238 H N -0.148 118.849 119.070 -0.122 0.000 2.505 1238 H HA 0.110 4.674 4.556 0.014 0.000 0.289 1238 H C -0.616 174.741 175.328 0.049 0.000 1.052 1238 H CA -0.009 56.029 56.048 -0.016 0.000 1.156 1238 H CB 0.360 30.151 29.762 0.049 0.000 1.507 1238 H HN 0.026 nan 8.280 nan 0.000 0.548 1239 D N 0.116 120.569 120.400 0.087 0.000 2.708 1239 D HA -0.169 4.480 4.640 0.014 0.000 0.236 1239 D C -0.023 176.363 176.300 0.144 0.000 1.146 1239 D CA 0.947 54.999 54.000 0.088 0.000 0.662 1239 D CB -1.186 39.648 40.800 0.058 0.000 1.059 1239 D HN 0.568 nan 8.370 nan 0.000 0.428 1240 A N -0.065 122.867 122.820 0.186 0.000 2.320 1240 A HA 0.645 4.973 4.320 0.014 0.000 0.334 1240 A C 0.024 177.705 177.584 0.163 0.000 1.147 1240 A CA -0.605 51.567 52.037 0.225 0.000 0.820 1240 A CB 1.122 20.369 19.000 0.412 0.000 1.218 1240 A HN 0.090 nan 8.150 nan 0.000 0.482 1241 L N 0.996 122.307 121.223 0.147 0.000 2.375 1241 L HA 0.430 4.778 4.340 0.014 0.000 0.271 1241 L C -0.165 176.751 176.870 0.077 0.000 1.107 1241 L CA -0.182 54.714 54.840 0.093 0.000 0.806 1241 L CB 1.115 43.225 42.059 0.084 0.000 1.146 1241 L HN 0.642 nan 8.230 nan 0.000 0.447 1242 L N 3.822 125.056 121.223 0.017 0.000 2.287 1242 L HA 0.588 4.936 4.340 0.014 0.000 0.287 1242 L C -0.836 176.024 176.870 -0.018 0.000 1.022 1242 L CA -0.151 54.695 54.840 0.010 0.000 0.814 1242 L CB 1.413 43.423 42.059 -0.083 0.000 1.217 1242 L HN 0.269 nan 8.230 nan 0.000 0.420 1243 V N 6.099 126.067 119.914 0.089 0.000 2.376 1243 V HA 0.400 4.528 4.120 0.014 0.000 0.287 1243 V C -0.555 175.712 176.094 0.289 0.000 1.015 1243 V CA -0.499 61.860 62.300 0.099 0.000 0.834 1243 V CB 1.059 32.911 31.823 0.048 0.000 1.001 1243 V HN 0.461 nan 8.190 nan 0.000 0.428 1244 F N 2.993 122.933 119.950 -0.017 0.000 2.411 1244 F HA 0.370 4.905 4.527 0.014 0.000 0.355 1244 F C 0.596 176.383 175.800 -0.021 0.000 1.117 1244 F CA -1.379 56.618 58.000 -0.005 0.000 1.139 1244 F CB 1.099 40.091 39.000 -0.013 0.000 1.120 1244 F HN 0.497 nan 8.300 nan 0.000 0.493 1245 D N 4.012 124.479 120.400 0.111 0.000 2.441 1245 D HA 0.078 4.726 4.640 0.014 0.000 0.221 1245 D C 0.179 176.518 176.300 0.064 0.000 1.156 1245 D CA 0.100 54.135 54.000 0.058 0.000 0.896 1245 D CB 0.329 41.180 40.800 0.084 0.000 1.028 1245 D HN 0.557 nan 8.370 nan 0.000 0.509 1246 E N 2.838 123.076 120.200 0.064 0.000 2.411 1246 E HA 0.052 4.410 4.350 0.014 0.000 0.204 1246 E C 1.518 178.158 176.600 0.067 0.000 1.059 1246 E CA -0.151 56.272 56.400 0.037 0.000 1.112 1246 E CB 1.008 30.711 29.700 0.004 0.000 1.168 1246 E HN 0.322 nan 8.360 nan 0.000 0.445 1247 V N 0.887 120.851 119.914 0.083 0.000 2.392 1247 V HA -0.268 3.860 4.120 0.014 0.000 0.249 1247 V C 2.168 178.327 176.094 0.109 0.000 1.059 1247 V CA 1.845 64.204 62.300 0.100 0.000 1.051 1247 V CB -0.256 31.618 31.823 0.084 0.000 0.658 1247 V HN 0.396 nan 8.190 nan 0.000 0.455 1248 M N -0.234 119.433 119.600 0.112 0.000 2.556 1248 M HA -0.063 4.426 4.480 0.014 0.000 0.264 1248 M C 2.237 178.617 176.300 0.133 0.000 1.163 1248 M CA 1.596 56.975 55.300 0.132 0.000 1.186 1248 M CB 0.126 32.851 32.600 0.209 0.000 1.321 1248 M HN 0.516 nan 8.290 nan 0.000 0.485 1249 T N -1.545 113.071 114.554 0.103 0.000 2.985 1249 T HA 0.137 4.496 4.350 0.014 0.000 0.266 1249 T C 1.197 175.917 174.700 0.033 0.000 1.076 1249 T CA 0.427 62.572 62.100 0.075 0.000 1.135 1249 T CB -1.199 67.669 68.868 -0.001 0.000 0.890 1249 T HN 0.429 nan 8.240 nan 0.000 0.480 1250 G N 0.564 109.376 108.800 0.020 0.000 2.225 1250 G HA2 0.307 4.275 3.960 0.014 0.000 0.245 1250 G HA3 0.307 4.275 3.960 0.014 0.000 0.245 1250 G C 0.003 174.948 174.900 0.074 0.000 1.249 1250 G CA -0.427 44.628 45.100 -0.075 0.000 0.919 1250 G HN 0.406 nan 8.290 nan 0.000 0.486 1251 F N -0.719 119.240 119.950 0.014 0.000 2.890 1251 F HA -0.289 4.246 4.527 0.013 0.000 0.346 1251 F C 1.994 177.956 175.800 0.270 0.000 0.660 1251 F CA 1.680 59.739 58.000 0.098 0.000 1.091 1251 F CB -0.954 38.081 39.000 0.059 0.000 1.535 1251 F HN 0.594 nan 8.300 nan 0.000 0.314 1252 R N 0.345 121.026 120.500 0.302 0.000 2.119 1252 R HA 0.185 4.533 4.340 0.014 0.000 0.202 1252 R C 2.047 178.545 176.300 0.330 0.000 1.114 1252 R CA 0.558 56.850 56.100 0.321 0.000 1.089 1252 R CB 0.036 30.463 30.300 0.212 0.000 1.000 1252 R HN 0.202 nan 8.270 nan 0.000 0.487 1253 I N 1.417 122.090 120.570 0.171 0.000 2.361 1253 I HA 0.010 4.188 4.170 0.014 0.000 0.251 1253 I C 0.902 177.040 176.117 0.036 0.000 1.133 1253 I CA 1.188 62.546 61.300 0.097 0.000 1.413 1253 I CB -0.747 37.227 38.000 -0.043 0.000 1.073 1253 I HN 0.339 nan 8.210 nan 0.000 0.424 1254 A N -2.096 120.666 122.820 -0.096 0.000 2.544 1254 A HA 0.284 4.613 4.320 0.014 0.000 0.291 1254 A C 0.081 177.350 177.584 -0.525 0.000 1.055 1254 A CA -0.557 51.179 52.037 -0.503 0.000 0.651 1254 A CB -0.225 18.588 19.000 -0.312 0.000 1.296 1254 A HN 0.042 nan 8.150 nan 0.000 0.431 1255 Y N 0.759 120.526 120.300 -0.889 0.000 2.256 1255 Y HA 0.028 4.586 4.550 0.014 0.000 0.288 1255 Y C 1.912 177.629 175.900 -0.306 0.000 1.155 1255 Y CA 2.954 60.877 58.100 -0.295 0.000 1.203 1255 Y CB 0.064 38.445 38.460 -0.131 0.000 0.980 1255 Y HN 0.730 nan 8.280 nan 0.000 0.530 1256 G N -0.806 107.817 108.800 -0.296 0.000 3.434 1256 G HA2 0.419 4.388 3.960 0.014 0.000 0.258 1256 G HA3 0.419 4.388 3.960 0.014 0.000 0.258 1256 G C 0.671 175.373 174.900 -0.330 0.000 1.128 1256 G CA 0.227 45.120 45.100 -0.344 0.000 0.792 1256 G HN 0.781 nan 8.290 nan 0.000 0.539 1257 G N -0.505 108.085 108.800 -0.350 0.000 2.697 1257 G HA2 -0.237 3.731 3.960 0.014 0.000 0.240 1257 G HA3 -0.237 3.731 3.960 0.014 0.000 0.240 1257 G C 1.068 175.842 174.900 -0.210 0.000 1.346 1257 G CA -0.160 44.789 45.100 -0.253 0.000 0.887 1257 G HN 0.622 nan 8.290 nan 0.000 0.569 1258 V N 1.412 121.196 119.914 -0.216 0.000 2.332 1258 V HA -0.286 3.842 4.120 0.014 0.000 0.248 1258 V C 3.093 179.103 176.094 -0.140 0.000 1.055 1258 V CA 3.304 65.397 62.300 -0.344 0.000 1.038 1258 V CB -0.965 30.635 31.823 -0.371 0.000 0.651 1258 V HN 0.895 nan 8.190 nan 0.000 0.450 1259 Q N 0.681 120.534 119.800 0.088 0.000 2.135 1259 Q HA -0.309 4.039 4.340 0.014 0.000 0.204 1259 Q C 2.158 178.200 176.000 0.069 0.000 0.981 1259 Q CA 2.313 58.237 55.803 0.202 0.000 0.856 1259 Q CB -0.499 28.340 28.738 0.168 0.000 0.902 1259 Q HN 0.792 nan 8.270 nan 0.000 0.425 1260 E N 1.385 121.577 120.200 -0.013 0.000 2.051 1260 E HA -0.166 4.192 4.350 0.014 0.000 0.189 1260 E C 2.107 178.717 176.600 0.016 0.000 0.979 1260 E CA 0.778 57.169 56.400 -0.016 0.000 0.803 1260 E CB 0.051 29.713 29.700 -0.063 0.000 0.761 1260 E HN 0.336 nan 8.360 nan 0.000 0.451 1261 K N -0.442 119.936 120.400 -0.036 0.000 2.148 1261 K HA -0.079 4.249 4.320 0.014 0.000 0.204 1261 K C 1.372 178.173 176.600 0.336 0.000 1.050 1261 K CA 1.139 57.446 56.287 0.033 0.000 0.942 1261 K CB -0.015 32.402 32.500 -0.139 0.000 0.724 1261 K HN 0.235 nan 8.250 nan 0.000 0.446 1262 F N -0.509 119.470 119.950 0.049 0.000 2.678 1262 F HA 0.193 4.728 4.527 0.014 0.000 0.305 1262 F C 1.014 176.847 175.800 0.055 0.000 1.090 1262 F CA -0.145 57.890 58.000 0.057 0.000 1.272 1262 F CB 1.054 40.097 39.000 0.072 0.000 1.060 1262 F HN 0.208 nan 8.300 nan 0.000 0.576 1263 G N 2.068 111.001 108.800 0.221 0.000 2.273 1263 G HA2 -0.273 3.695 3.960 0.014 0.000 0.280 1263 G HA3 -0.273 3.695 3.960 0.014 0.000 0.280 1263 G C -0.478 174.487 174.900 0.108 0.000 1.047 1263 G CA 0.032 45.208 45.100 0.126 0.000 0.869 1263 G HN 0.163 nan 8.290 nan 0.000 0.502 1264 V N 0.498 120.498 119.914 0.143 0.000 2.444 1264 V HA 0.604 4.732 4.120 0.014 0.000 0.294 1264 V C 0.307 176.384 176.094 -0.028 0.000 1.022 1264 V CA -0.341 62.014 62.300 0.092 0.000 0.850 1264 V CB 2.009 33.962 31.823 0.217 0.000 0.992 1264 V HN 0.323 nan 8.190 nan 0.000 0.426 1265 T N 7.893 122.371 114.554 -0.126 0.000 2.743 1265 T HA 0.427 4.785 4.350 0.014 0.000 0.292 1265 T C -2.253 172.231 174.700 -0.361 0.000 0.972 1265 T CA -0.954 61.014 62.100 -0.219 0.000 0.967 1265 T CB 1.671 70.463 68.868 -0.127 0.000 0.926 1265 T HN 0.511 nan 8.240 nan 0.000 0.459 1266 P HA 0.355 nan 4.420 nan 0.000 0.289 1266 P C -0.103 177.019 177.300 -0.296 0.000 1.299 1266 P CA -0.354 62.391 63.100 -0.592 0.000 0.766 1266 P CB 1.270 32.411 31.700 -0.932 0.000 1.226 1267 D N -1.368 118.905 120.400 -0.211 0.000 2.338 1267 D HA 0.167 4.815 4.640 0.014 0.000 0.208 1267 D C 0.255 176.475 176.300 -0.133 0.000 0.997 1267 D CA 0.957 54.868 54.000 -0.148 0.000 0.880 1267 D CB 0.258 40.992 40.800 -0.109 0.000 0.980 1267 D HN 0.069 nan 8.370 nan 0.000 0.509 1268 L N -0.110 121.047 121.223 -0.110 0.000 2.465 1268 L HA 0.409 4.758 4.340 0.014 0.000 0.257 1268 L C -0.524 176.332 176.870 -0.024 0.000 0.988 1268 L CA -0.587 54.219 54.840 -0.057 0.000 0.827 1268 L CB 2.195 44.240 42.059 -0.023 0.000 1.397 1268 L HN -0.125 nan 8.230 nan 0.000 0.410 1269 T N -1.137 113.425 114.554 0.013 0.000 2.982 1269 T HA 0.758 5.116 4.350 0.014 0.000 0.321 1269 T C -0.634 174.108 174.700 0.071 0.000 1.229 1269 T CA -0.135 61.999 62.100 0.058 0.000 1.044 1269 T CB 1.608 70.513 68.868 0.061 0.000 1.184 1269 T HN 0.762 nan 8.240 nan 0.000 0.477 1270 T N 2.127 116.726 114.554 0.076 0.000 2.925 1270 T HA 0.810 5.169 4.350 0.014 0.000 0.285 1270 T C -0.303 174.453 174.700 0.092 0.000 1.021 1270 T CA -0.854 61.300 62.100 0.089 0.000 1.042 1270 T CB 0.996 69.893 68.868 0.048 0.000 1.037 1270 T HN 0.696 nan 8.240 nan 0.000 0.481 1271 L N 0.747 122.043 121.223 0.121 0.000 2.376 1271 L HA 0.884 5.233 4.340 0.014 0.000 0.258 1271 L C 0.501 177.462 176.870 0.152 0.000 1.013 1271 L CA -0.886 54.047 54.840 0.155 0.000 0.822 1271 L CB 2.376 44.569 42.059 0.223 0.000 1.388 1271 L HN 1.093 nan 8.230 nan 0.000 0.413 1272 G N -0.507 108.386 108.800 0.155 0.000 2.570 1272 G HA2 0.397 4.365 3.960 0.014 0.000 0.310 1272 G HA3 0.397 4.365 3.960 0.014 0.000 0.310 1272 G C -0.791 174.174 174.900 0.109 0.000 1.266 1272 G CA -0.102 45.072 45.100 0.123 0.000 0.825 1272 G HN 0.543 nan 8.290 nan 0.000 0.483 1273 K N -1.206 119.244 120.400 0.084 0.000 5.335 1273 K HA -0.342 3.986 4.320 0.014 0.000 0.272 1273 K C 2.069 178.689 176.600 0.034 0.000 0.665 1273 K CA 2.286 58.609 56.287 0.060 0.000 0.885 1273 K CB -1.361 31.165 32.500 0.043 0.000 0.784 1273 K HN 0.363 nan 8.250 nan 0.000 0.859 1274 I N 1.321 121.912 120.570 0.035 0.000 2.248 1274 I HA -0.286 3.892 4.170 0.014 0.000 0.248 1274 I C 2.240 178.297 176.117 -0.099 0.000 1.107 1274 I CA 1.972 63.271 61.300 -0.003 0.000 1.373 1274 I CB -0.538 37.506 38.000 0.074 0.000 1.055 1274 I HN 0.398 nan 8.210 nan 0.000 0.418 1275 I N -0.633 119.879 120.570 -0.097 0.000 2.916 1275 I HA -0.031 4.148 4.170 0.014 0.000 0.267 1275 I C 2.035 178.087 176.117 -0.108 0.000 1.263 1275 I CA 1.309 62.492 61.300 -0.194 0.000 1.471 1275 I CB -1.411 36.559 38.000 -0.050 0.000 1.089 1275 I HN 0.031 nan 8.210 nan 0.000 0.468 1276 G N 0.140 108.910 108.800 -0.051 0.000 2.986 1276 G HA2 0.299 4.267 3.960 0.014 0.000 0.213 1276 G HA3 0.299 4.267 3.960 0.014 0.000 0.213 1276 G C 1.442 176.315 174.900 -0.044 0.000 1.156 1276 G CA 0.123 45.199 45.100 -0.040 0.000 0.763 1276 G HN 0.752 nan 8.290 nan 0.000 0.547 1277 G N -0.275 108.494 108.800 -0.052 0.000 2.337 1277 G HA2 0.160 4.128 3.960 0.014 0.000 0.290 1277 G HA3 0.160 4.128 3.960 0.014 0.000 0.290 1277 G C 1.208 176.110 174.900 0.003 0.000 1.003 1277 G CA 1.327 46.403 45.100 -0.039 0.000 0.825 1277 G HN 1.813 nan 8.290 nan 0.000 0.509 1278 G N -3.019 105.795 108.800 0.025 0.000 2.211 1278 G HA2 0.028 3.997 3.960 0.014 0.000 0.201 1278 G HA3 0.028 3.997 3.960 0.014 0.000 0.201 1278 G C 0.105 175.034 174.900 0.047 0.000 0.997 1278 G CA 0.340 45.475 45.100 0.059 0.000 0.652 1278 G HN 1.113 nan 8.290 nan 0.000 0.500 1279 L N 0.837 122.072 121.223 0.021 0.000 2.313 1279 L HA 0.703 5.051 4.340 0.014 0.000 0.268 1279 L C -2.227 174.652 176.870 0.016 0.000 1.010 1279 L CA -2.325 52.522 54.840 0.012 0.000 0.814 1279 L CB 1.508 43.557 42.059 -0.016 0.000 1.304 1279 L HN -0.181 nan 8.230 nan 0.000 0.441 1280 P HA 0.236 nan 4.420 nan 0.000 0.273 1280 P C -1.327 175.986 177.300 0.023 0.000 1.319 1280 P CA 0.125 63.243 63.100 0.030 0.000 0.885 1280 P CB 0.336 32.056 31.700 0.033 0.000 1.015 1281 V N 2.749 122.684 119.914 0.035 0.000 3.049 1281 V HA 0.904 5.033 4.120 0.014 0.000 0.309 1281 V C 0.330 176.480 176.094 0.094 0.000 1.148 1281 V CA -0.595 61.733 62.300 0.047 0.000 0.990 1281 V CB 2.503 34.326 31.823 0.000 0.000 1.039 1281 V HN 0.594 nan 8.190 nan 0.000 0.430 1282 G N 0.740 109.629 108.800 0.148 0.000 2.649 1282 G HA2 0.996 4.964 3.960 0.014 0.000 0.290 1282 G HA3 0.996 4.964 3.960 0.014 0.000 0.290 1282 G C -1.428 173.613 174.900 0.234 0.000 1.426 1282 G CA -0.106 45.095 45.100 0.168 0.000 0.794 1282 G HN 1.526 nan 8.290 nan 0.000 0.483 1283 A N -0.842 122.095 122.820 0.196 0.000 2.599 1283 A HA 0.800 5.129 4.320 0.014 0.000 0.294 1283 A C -1.696 175.979 177.584 0.151 0.000 1.055 1283 A CA -0.623 51.485 52.037 0.119 0.000 0.683 1283 A CB 1.002 20.012 19.000 0.017 0.000 1.278 1283 A HN 2.174 nan 8.150 nan 0.000 0.412 1284 Y N -0.575 119.676 120.300 -0.082 0.000 2.457 1284 Y HA 0.881 5.439 4.550 0.013 0.000 0.343 1284 Y C 0.097 175.928 175.900 -0.115 0.000 0.994 1284 Y CA -0.360 57.698 58.100 -0.071 0.000 1.031 1284 Y CB 1.458 39.889 38.460 -0.047 0.000 1.246 1284 Y HN 1.458 nan 8.280 nan 0.000 0.449 1285 G N 0.184 108.949 108.800 -0.058 0.000 2.682 1285 G HA2 0.742 4.710 3.960 0.014 0.000 0.303 1285 G HA3 0.742 4.710 3.960 0.014 0.000 0.303 1285 G C -0.734 174.118 174.900 -0.079 0.000 1.341 1285 G CA -0.475 44.532 45.100 -0.155 0.000 0.784 1285 G HN 1.608 nan 8.290 nan 0.000 0.497 1286 G N -1.035 107.700 108.800 -0.108 0.000 2.441 1286 G HA2 0.360 4.328 3.960 0.014 0.000 0.222 1286 G HA3 0.360 4.328 3.960 0.014 0.000 0.222 1286 G C -1.029 173.801 174.900 -0.117 0.000 1.254 1286 G CA -0.557 44.481 45.100 -0.104 0.000 0.959 1286 G HN 0.618 nan 8.290 nan 0.000 0.474 1287 K N 0.653 120.974 120.400 -0.132 0.000 2.484 1287 K HA 0.176 4.505 4.320 0.014 0.000 0.280 1287 K C 1.747 178.266 176.600 -0.134 0.000 1.013 1287 K CA 0.270 56.478 56.287 -0.131 0.000 1.029 1287 K CB 0.686 33.096 32.500 -0.150 0.000 0.902 1287 K HN 0.561 nan 8.250 nan 0.000 0.481 1288 R N 2.863 123.304 120.500 -0.099 0.000 2.096 1288 R HA -0.210 4.138 4.340 0.014 0.000 0.240 1288 R C 1.619 177.872 176.300 -0.080 0.000 1.139 1288 R CA 2.214 58.264 56.100 -0.083 0.000 0.952 1288 R CB -0.024 30.242 30.300 -0.057 0.000 0.854 1288 R HN 0.785 nan 8.270 nan 0.000 0.436 1289 E N 0.441 120.596 120.200 -0.075 0.000 2.265 1289 E HA -0.205 4.154 4.350 0.014 0.000 0.196 1289 E C 1.882 178.422 176.600 -0.099 0.000 0.996 1289 E CA 1.367 57.743 56.400 -0.040 0.000 0.832 1289 E CB -0.282 29.424 29.700 0.010 0.000 0.756 1289 E HN 0.555 nan 8.360 nan 0.000 0.491 1290 I N 0.255 120.661 120.570 -0.274 0.000 2.494 1290 I HA -0.118 4.060 4.170 0.014 0.000 0.250 1290 I C 2.489 178.506 176.117 -0.166 0.000 1.112 1290 I CA 0.462 61.493 61.300 -0.449 0.000 1.438 1290 I CB -0.247 37.371 38.000 -0.636 0.000 1.111 1290 I HN -0.026 nan 8.210 nan 0.000 0.431 1291 M N 0.350 119.873 119.600 -0.128 0.000 2.279 1291 M HA -0.157 4.331 4.480 0.014 0.000 0.264 1291 M C 2.078 178.351 176.300 -0.045 0.000 1.062 1291 M CA 1.370 56.622 55.300 -0.081 0.000 1.099 1291 M CB -1.041 31.486 32.600 -0.121 0.000 1.394 1291 M HN 0.265 nan 8.290 nan 0.000 0.426 1292 Q N -0.038 119.743 119.800 -0.032 0.000 2.439 1292 Q HA -0.050 4.298 4.340 0.014 0.000 0.211 1292 Q C 1.882 177.898 176.000 0.027 0.000 0.978 1292 Q CA 0.930 56.731 55.803 -0.004 0.000 0.897 1292 Q CB -0.328 28.414 28.738 0.007 0.000 0.956 1292 Q HN 0.401 nan 8.270 nan 0.000 0.483 1293 L N -0.744 120.507 121.223 0.048 0.000 2.418 1293 L HA -0.017 4.331 4.340 0.014 0.000 0.218 1293 L C 0.571 177.479 176.870 0.064 0.000 1.125 1293 L CA 0.481 55.367 54.840 0.076 0.000 0.835 1293 L CB -0.035 42.098 42.059 0.123 0.000 0.953 1293 L HN -0.159 nan 8.230 nan 0.000 0.454 1294 V N 0.817 120.761 119.914 0.049 0.000 2.572 1294 V HA 0.304 4.432 4.120 0.014 0.000 0.291 1294 V C 0.913 177.017 176.094 0.016 0.000 1.039 1294 V CA -0.730 61.598 62.300 0.047 0.000 1.055 1294 V CB 0.386 32.234 31.823 0.043 0.000 0.969 1294 V HN 0.257 nan 8.190 nan 0.000 0.482 1295 A N 8.077 130.903 122.820 0.011 0.000 2.425 1295 A HA 0.405 4.734 4.320 0.014 0.000 0.242 1295 A C -0.753 176.807 177.584 -0.040 0.000 1.077 1295 A CA -0.829 51.211 52.037 0.004 0.000 0.781 1295 A CB -0.095 18.920 19.000 0.025 0.000 1.020 1295 A HN 0.786 nan 8.150 nan 0.000 0.494 1296 P HA 0.132 nan 4.420 nan 0.000 0.255 1296 P C 0.832 178.148 177.300 0.027 0.000 1.301 1296 P CA 0.889 64.006 63.100 0.028 0.000 0.817 1296 P CB 0.329 32.050 31.700 0.035 0.000 1.259 1297 A N 0.112 122.939 122.820 0.013 0.000 1.898 1297 A HA 0.338 4.666 4.320 0.014 0.000 0.214 1297 A C 1.461 179.062 177.584 0.027 0.000 1.183 1297 A CA 1.375 53.420 52.037 0.013 0.000 0.622 1297 A CB -0.948 18.051 19.000 -0.001 0.000 0.824 1297 A HN 0.361 nan 8.150 nan 0.000 0.444 1298 G N -2.156 106.666 108.800 0.035 0.000 3.175 1298 G HA2 0.488 4.456 3.960 0.014 0.000 0.255 1298 G HA3 0.488 4.456 3.960 0.014 0.000 0.255 1298 G C -2.065 172.874 174.900 0.065 0.000 1.352 1298 G CA -0.128 45.002 45.100 0.049 0.000 1.037 1298 G HN 0.005 nan 8.290 nan 0.000 0.556 1299 P HA 0.064 nan 4.420 nan 0.000 0.235 1299 P C 0.790 178.152 177.300 0.104 0.000 1.177 1299 P CA 0.353 63.501 63.100 0.081 0.000 0.785 1299 P CB 0.391 32.127 31.700 0.060 0.000 0.885 1300 M N 0.810 120.467 119.600 0.094 0.000 2.341 1300 M HA 0.116 4.604 4.480 0.014 0.000 0.336 1300 M C -0.871 175.500 176.300 0.117 0.000 1.489 1300 M CA -0.734 54.626 55.300 0.100 0.000 1.278 1300 M CB -0.238 32.409 32.600 0.079 0.000 1.657 1300 M HN -0.175 nan 8.290 nan 0.000 0.455 1301 Y N 5.005 125.324 120.300 0.032 0.000 2.402 1301 Y HA 0.150 4.705 4.550 0.007 0.000 0.333 1301 Y C -0.278 175.646 175.900 0.040 0.000 1.076 1301 Y CA 0.767 58.888 58.100 0.035 0.000 1.299 1301 Y CB 0.365 38.840 38.460 0.025 0.000 1.197 1301 Y HN 0.559 nan 8.280 nan 0.000 0.517 1302 Q N 5.525 125.079 119.800 -0.410 0.000 2.275 1302 Q HA 0.635 4.983 4.340 0.014 0.000 0.258 1302 Q C -2.037 173.748 176.000 -0.357 0.000 0.960 1302 Q CA -0.479 55.194 55.803 -0.218 0.000 0.801 1302 Q CB 1.600 30.325 28.738 -0.021 0.000 1.302 1302 Q HN 0.860 nan 8.270 nan 0.000 0.433 1303 A N 1.636 124.309 122.820 -0.245 0.000 2.389 1303 A HA 1.064 5.393 4.320 0.014 0.000 0.293 1303 A C -0.576 177.004 177.584 -0.007 0.000 1.186 1303 A CA -0.231 51.715 52.037 -0.150 0.000 0.828 1303 A CB 1.994 20.943 19.000 -0.085 0.000 1.369 1303 A HN 0.770 nan 8.150 nan 0.000 0.446 1304 G N -1.215 107.597 108.800 0.020 0.000 2.596 1304 G HA2 0.452 4.421 3.960 0.014 0.000 0.300 1304 G HA3 0.452 4.421 3.960 0.014 0.000 0.300 1304 G C 0.025 174.953 174.900 0.046 0.000 1.370 1304 G CA 0.464 45.590 45.100 0.044 0.000 1.170 1304 G HN 0.618 nan 8.290 nan 0.000 0.594 1305 T N 2.431 117.015 114.554 0.049 0.000 2.674 1305 T HA -0.079 4.279 4.350 0.014 0.000 0.265 1305 T C 2.078 176.799 174.700 0.034 0.000 1.039 1305 T CA 0.833 62.960 62.100 0.045 0.000 1.150 1305 T CB -0.071 68.824 68.868 0.045 0.000 0.864 1305 T HN 0.265 nan 8.240 nan 0.000 0.427 1306 L N 1.583 122.822 121.223 0.027 0.000 2.591 1306 L HA 0.239 4.587 4.340 0.014 0.000 0.228 1306 L C 0.678 177.549 176.870 0.002 0.000 1.133 1306 L CA 0.426 55.270 54.840 0.007 0.000 0.880 1306 L CB -0.994 41.068 42.059 0.005 0.000 1.033 1306 L HN 0.143 nan 8.230 nan 0.000 0.450 1307 S N 0.294 116.011 115.700 0.029 0.000 2.525 1307 S HA 0.318 4.796 4.470 0.014 0.000 0.285 1307 S C 1.300 175.918 174.600 0.030 0.000 1.283 1307 S CA 0.498 58.728 58.200 0.050 0.000 1.072 1307 S CB 0.712 63.962 63.200 0.082 0.000 0.867 1307 S HN 0.610 nan 8.310 nan 0.000 0.492 1308 G N 3.058 111.854 108.800 -0.007 0.000 2.160 1308 G HA2 -0.272 3.696 3.960 0.014 0.000 0.251 1308 G HA3 -0.272 3.696 3.960 0.014 0.000 0.251 1308 G C 0.053 174.865 174.900 -0.147 0.000 1.008 1308 G CA 0.034 45.078 45.100 -0.093 0.000 0.724 1308 G HN 0.896 nan 8.290 nan 0.000 0.514 1309 N N 0.322 118.927 118.700 -0.159 0.000 2.479 1309 N HA 0.195 4.944 4.740 0.014 0.000 0.257 1309 N C -0.699 174.627 175.510 -0.307 0.000 1.232 1309 N CA -0.680 52.227 53.050 -0.238 0.000 0.920 1309 N CB 1.717 40.088 38.487 -0.193 0.000 1.105 1309 N HN 0.163 nan 8.380 nan 0.000 0.444 1310 P HA -0.188 nan 4.420 nan 0.000 0.216 1310 P C 1.724 178.873 177.300 -0.252 0.000 1.150 1310 P CA 0.946 63.816 63.100 -0.384 0.000 0.843 1310 P CB 0.334 31.665 31.700 -0.616 0.000 0.787 1311 L N -0.607 120.475 121.223 -0.235 0.000 1.994 1311 L HA -0.144 4.204 4.340 0.014 0.000 0.208 1311 L C 2.632 179.421 176.870 -0.135 0.000 1.071 1311 L CA 1.972 56.722 54.840 -0.149 0.000 0.745 1311 L CB -0.952 41.035 42.059 -0.119 0.000 0.892 1311 L HN -0.037 nan 8.230 nan 0.000 0.431 1312 A N -0.458 122.272 122.820 -0.151 0.000 1.902 1312 A HA -0.244 4.084 4.320 0.014 0.000 0.217 1312 A C 2.169 179.635 177.584 -0.197 0.000 1.181 1312 A CA 1.657 53.606 52.037 -0.147 0.000 0.623 1312 A CB -0.383 18.531 19.000 -0.142 0.000 0.818 1312 A HN 0.396 nan 8.150 nan 0.000 0.443 1313 M N -0.353 119.095 119.600 -0.255 0.000 2.117 1313 M HA -0.111 4.377 4.480 0.014 0.000 0.262 1313 M C 2.179 178.364 176.300 -0.192 0.000 1.065 1313 M CA 2.041 57.162 55.300 -0.298 0.000 1.114 1313 M CB -2.081 30.337 32.600 -0.304 0.000 1.361 1313 M HN 0.428 nan 8.290 nan 0.000 0.408 1314 T N 1.344 115.810 114.554 -0.145 0.000 2.746 1314 T HA -0.065 4.293 4.350 0.014 0.000 0.267 1314 T C 1.960 176.606 174.700 -0.089 0.000 1.039 1314 T CA 1.692 63.733 62.100 -0.097 0.000 1.142 1314 T CB -0.345 68.478 68.868 -0.074 0.000 0.866 1314 T HN 0.497 nan 8.240 nan 0.000 0.444 1315 A N 1.383 124.147 122.820 -0.093 0.000 1.883 1315 A HA 0.069 4.397 4.320 0.014 0.000 0.217 1315 A C 2.621 180.146 177.584 -0.098 0.000 1.186 1315 A CA 1.969 53.959 52.037 -0.077 0.000 0.624 1315 A CB -1.376 17.584 19.000 -0.065 0.000 0.822 1315 A HN 0.517 nan 8.150 nan 0.000 0.444 1316 G N -0.137 108.585 108.800 -0.131 0.000 2.404 1316 G HA2 -0.148 3.820 3.960 0.014 0.000 0.215 1316 G HA3 -0.148 3.820 3.960 0.014 0.000 0.215 1316 G C 1.541 176.356 174.900 -0.142 0.000 1.174 1316 G CA 1.067 46.072 45.100 -0.159 0.000 0.780 1316 G HN 0.473 nan 8.290 nan 0.000 0.537 1317 I N 0.477 120.979 120.570 -0.113 0.000 2.179 1317 I HA -0.153 4.025 4.170 0.014 0.000 0.242 1317 I C 2.668 178.753 176.117 -0.054 0.000 1.088 1317 I CA 1.599 62.858 61.300 -0.067 0.000 1.357 1317 I CB -0.147 37.821 38.000 -0.053 0.000 1.051 1317 I HN 0.122 nan 8.210 nan 0.000 0.409 1318 K N 0.831 121.194 120.400 -0.063 0.000 2.057 1318 K HA -0.156 4.173 4.320 0.014 0.000 0.207 1318 K C 1.987 178.533 176.600 -0.090 0.000 1.049 1318 K CA 1.948 58.197 56.287 -0.063 0.000 0.931 1318 K CB -0.352 32.114 32.500 -0.058 0.000 0.714 1318 K HN 0.196 nan 8.250 nan 0.000 0.440 1319 T N 0.988 115.482 114.554 -0.101 0.000 2.674 1319 T HA -0.109 4.249 4.350 0.014 0.000 0.265 1319 T C 1.554 176.214 174.700 -0.068 0.000 1.039 1319 T CA 1.452 63.484 62.100 -0.113 0.000 1.150 1319 T CB -0.225 68.571 68.868 -0.120 0.000 0.864 1319 T HN 0.041 nan 8.240 nan 0.000 0.427 1320 L N 1.095 122.282 121.223 -0.060 0.000 2.083 1320 L HA -0.027 4.321 4.340 0.014 0.000 0.209 1320 L C 2.479 179.435 176.870 0.144 0.000 1.083 1320 L CA 1.564 56.453 54.840 0.083 0.000 0.752 1320 L CB -0.713 41.368 42.059 0.037 0.000 0.899 1320 L HN 0.323 nan 8.230 nan 0.000 0.433 1321 E N -0.627 119.599 120.200 0.044 0.000 2.110 1321 E HA -0.219 4.140 4.350 0.014 0.000 0.193 1321 E C 2.286 178.880 176.600 -0.011 0.000 0.988 1321 E CA 1.053 57.465 56.400 0.020 0.000 0.804 1321 E CB -0.209 29.489 29.700 -0.004 0.000 0.745 1321 E HN 0.443 nan 8.360 nan 0.000 0.458 1322 L N 0.474 121.669 121.223 -0.047 0.000 2.093 1322 L HA -0.160 4.188 4.340 0.014 0.000 0.208 1322 L C 2.337 179.185 176.870 -0.038 0.000 1.085 1322 L CA 0.734 55.523 54.840 -0.084 0.000 0.755 1322 L CB -0.217 41.715 42.059 -0.213 0.000 0.904 1322 L HN 0.155 nan 8.230 nan 0.000 0.435 1323 L N -0.756 120.486 121.223 0.031 0.000 2.291 1323 L HA -0.109 4.239 4.340 0.014 0.000 0.214 1323 L C 2.547 179.466 176.870 0.083 0.000 1.120 1323 L CA 0.757 55.661 54.840 0.107 0.000 0.799 1323 L CB -0.348 41.920 42.059 0.348 0.000 0.925 1323 L HN 0.196 nan 8.230 nan 0.000 0.446 1324 R N -0.653 119.820 120.500 -0.045 0.000 2.236 1324 R HA -0.001 4.347 4.340 0.014 0.000 0.208 1324 R C 0.451 176.695 176.300 -0.094 0.000 1.036 1324 R CA 0.044 56.014 56.100 -0.218 0.000 1.001 1324 R CB 0.072 30.229 30.300 -0.239 0.000 0.896 1324 R HN 0.318 nan 8.270 nan 0.000 0.464 1325 Q N 1.587 121.362 119.800 -0.042 0.000 2.432 1325 Q HA 0.092 4.441 4.340 0.014 0.000 0.264 1325 Q C -2.060 173.937 176.000 -0.004 0.000 1.035 1325 Q CA -1.515 54.273 55.803 -0.024 0.000 0.908 1325 Q CB -0.049 28.677 28.738 -0.021 0.000 1.280 1325 Q HN 0.122 nan 8.270 nan 0.000 0.455 1326 P HA 0.032 nan 4.420 nan 0.000 0.271 1326 P C 0.444 177.764 177.300 0.033 0.000 1.218 1326 P CA 0.599 63.713 63.100 0.024 0.000 0.780 1326 P CB 0.621 32.330 31.700 0.016 0.000 0.901 1327 G N 1.624 110.463 108.800 0.065 0.000 2.205 1327 G HA2 -0.317 3.651 3.960 0.014 0.000 0.261 1327 G HA3 -0.317 3.651 3.960 0.014 0.000 0.261 1327 G C 1.137 176.098 174.900 0.101 0.000 0.980 1327 G CA 0.787 45.937 45.100 0.082 0.000 0.632 1327 G HN 0.509 nan 8.290 nan 0.000 0.533 1328 T N 0.042 114.632 114.554 0.061 0.000 2.555 1328 T HA -0.172 4.187 4.350 0.014 0.000 0.264 1328 T C 1.914 176.579 174.700 -0.059 0.000 1.083 1328 T CA 2.149 64.230 62.100 -0.032 0.000 1.179 1328 T CB -0.345 68.431 68.868 -0.152 0.000 0.863 1328 T HN 0.468 nan 8.240 nan 0.000 0.412 1329 Y N 1.393 121.767 120.300 0.123 0.000 2.352 1329 Y HA -0.035 4.523 4.550 0.013 0.000 0.292 1329 Y C 2.542 178.506 175.900 0.107 0.000 1.136 1329 Y CA 0.735 58.907 58.100 0.119 0.000 1.227 1329 Y CB -0.347 38.180 38.460 0.111 0.000 0.991 1329 Y HN 0.253 nan 8.280 nan 0.000 0.545 1330 E N -0.799 119.535 120.200 0.224 0.000 2.051 1330 E HA -0.232 4.126 4.350 0.014 0.000 0.192 1330 E C 1.850 178.533 176.600 0.138 0.000 0.991 1330 E CA 1.427 57.925 56.400 0.163 0.000 0.799 1330 E CB -0.665 29.122 29.700 0.144 0.000 0.748 1330 E HN 0.527 nan 8.360 nan 0.000 0.449 1331 Y N 0.934 121.256 120.300 0.036 0.000 2.114 1331 Y HA -0.187 4.371 4.550 0.014 0.000 0.284 1331 Y C 1.870 177.777 175.900 0.012 0.000 1.143 1331 Y CA 1.489 59.598 58.100 0.016 0.000 1.135 1331 Y CB -0.338 38.121 38.460 -0.002 0.000 0.980 1331 Y HN -0.016 nan 8.280 nan 0.000 0.499 1332 L N -0.122 121.087 121.223 -0.023 0.000 2.043 1332 L HA -0.273 4.075 4.340 0.014 0.000 0.212 1332 L C 2.162 178.976 176.870 -0.094 0.000 1.075 1332 L CA 2.092 56.881 54.840 -0.084 0.000 0.752 1332 L CB -0.632 41.430 42.059 0.005 0.000 0.891 1332 L HN 0.259 nan 8.230 nan 0.000 0.432 1333 D N -1.014 119.377 120.400 -0.014 0.000 2.183 1333 D HA -0.223 4.426 4.640 0.014 0.000 0.203 1333 D C 2.245 178.503 176.300 -0.071 0.000 0.969 1333 D CA 0.682 54.680 54.000 -0.004 0.000 0.842 1333 D CB 0.170 41.010 40.800 0.065 0.000 0.957 1333 D HN 0.245 nan 8.370 nan 0.000 0.484 1334 Q N 0.259 119.989 119.800 -0.116 0.000 2.050 1334 Q HA -0.156 4.192 4.340 0.014 0.000 0.202 1334 Q C 2.337 178.208 176.000 -0.214 0.000 0.980 1334 Q CA 1.835 57.553 55.803 -0.142 0.000 0.840 1334 Q CB -0.210 28.449 28.738 -0.132 0.000 0.898 1334 Q HN 0.612 nan 8.270 nan 0.000 0.424 1335 I N -2.313 118.039 120.570 -0.363 0.000 2.617 1335 I HA -0.033 4.145 4.170 0.014 0.000 0.256 1335 I C 1.684 177.652 176.117 -0.247 0.000 1.167 1335 I CA 1.126 62.234 61.300 -0.320 0.000 1.469 1335 I CB -0.350 37.392 38.000 -0.430 0.000 1.098 1335 I HN -0.036 nan 8.210 nan 0.000 0.436 1336 T N 1.120 115.538 114.554 -0.228 0.000 2.896 1336 T HA -0.091 4.267 4.350 0.014 0.000 0.263 1336 T C 1.845 176.397 174.700 -0.247 0.000 1.050 1336 T CA 1.416 63.371 62.100 -0.242 0.000 1.140 1336 T CB -0.124 68.666 68.868 -0.130 0.000 0.877 1336 T HN 0.399 nan 8.240 nan 0.000 0.457 1337 K N 1.266 121.570 120.400 -0.161 0.000 2.057 1337 K HA -0.061 4.267 4.320 0.014 0.000 0.206 1337 K C 2.489 179.001 176.600 -0.147 0.000 1.050 1337 K CA 1.034 57.248 56.287 -0.123 0.000 0.935 1337 K CB -0.052 32.408 32.500 -0.066 0.000 0.715 1337 K HN 0.125 nan 8.250 nan 0.000 0.439 1338 R N 0.886 121.294 120.500 -0.153 0.000 2.081 1338 R HA -0.091 4.257 4.340 0.014 0.000 0.235 1338 R C 2.476 178.658 176.300 -0.197 0.000 1.131 1338 R CA 1.323 57.337 56.100 -0.143 0.000 0.960 1338 R CB -0.316 29.911 30.300 -0.122 0.000 0.856 1338 R HN 0.330 nan 8.270 nan 0.000 0.436 1339 L N -0.038 121.017 121.223 -0.280 0.000 2.017 1339 L HA -0.188 4.160 4.340 0.014 0.000 0.208 1339 L C 2.402 179.002 176.870 -0.451 0.000 1.073 1339 L CA 1.970 56.568 54.840 -0.405 0.000 0.745 1339 L CB -0.472 41.238 42.059 -0.581 0.000 0.894 1339 L HN 0.301 nan 8.230 nan 0.000 0.432 1340 S N -0.244 115.191 115.700 -0.441 0.000 2.353 1340 S HA -0.241 4.238 4.470 0.014 0.000 0.222 1340 S C 1.631 176.124 174.600 -0.178 0.000 1.035 1340 S CA 1.818 59.822 58.200 -0.327 0.000 1.025 1340 S CB -0.391 62.678 63.200 -0.218 0.000 0.902 1340 S HN 0.538 nan 8.310 nan 0.000 0.440 1341 D N 0.672 120.991 120.400 -0.136 0.000 2.149 1341 D HA -0.051 4.597 4.640 0.014 0.000 0.198 1341 D C 2.032 178.278 176.300 -0.090 0.000 0.990 1341 D CA 1.242 55.194 54.000 -0.080 0.000 0.839 1341 D CB -1.037 39.724 40.800 -0.065 0.000 0.948 1341 D HN 0.548 nan 8.370 nan 0.000 0.460 1342 G N 0.870 109.585 108.800 -0.142 0.000 2.480 1342 G HA2 -0.227 3.741 3.960 0.014 0.000 0.216 1342 G HA3 -0.227 3.741 3.960 0.014 0.000 0.216 1342 G C 1.570 176.378 174.900 -0.154 0.000 1.200 1342 G CA 0.443 45.458 45.100 -0.142 0.000 0.782 1342 G HN 0.167 nan 8.290 nan 0.000 0.554 1343 L N 0.460 121.529 121.223 -0.257 0.000 2.043 1343 L HA -0.023 4.325 4.340 0.014 0.000 0.212 1343 L C 2.908 179.744 176.870 -0.058 0.000 1.075 1343 L CA 1.093 55.711 54.840 -0.370 0.000 0.752 1343 L CB -0.850 40.708 42.059 -0.836 0.000 0.891 1343 L HN 0.194 nan 8.230 nan 0.000 0.432 1344 L N -1.430 119.831 121.223 0.063 0.000 2.072 1344 L HA -0.142 4.206 4.340 0.014 0.000 0.205 1344 L C 2.641 179.554 176.870 0.072 0.000 1.079 1344 L CA 1.088 56.015 54.840 0.145 0.000 0.752 1344 L CB -0.765 41.350 42.059 0.093 0.000 0.906 1344 L HN 0.253 nan 8.230 nan 0.000 0.436 1345 A N 0.209 123.041 122.820 0.021 0.000 1.933 1345 A HA -0.172 4.156 4.320 0.014 0.000 0.218 1345 A C 2.207 179.807 177.584 0.026 0.000 1.175 1345 A CA 1.476 53.521 52.037 0.014 0.000 0.628 1345 A CB -0.625 18.369 19.000 -0.009 0.000 0.814 1345 A HN 0.367 nan 8.150 nan 0.000 0.444 1346 I N -0.564 120.016 120.570 0.016 0.000 2.286 1346 I HA -0.221 3.957 4.170 0.014 0.000 0.245 1346 I C 2.953 179.127 176.117 0.094 0.000 1.104 1346 I CA 0.908 62.227 61.300 0.030 0.000 1.397 1346 I CB -0.312 37.679 38.000 -0.015 0.000 1.072 1346 I HN 0.358 nan 8.210 nan 0.000 0.417 1347 A N 0.214 123.115 122.820 0.136 0.000 1.902 1347 A HA -0.283 4.045 4.320 0.014 0.000 0.217 1347 A C 2.221 179.916 177.584 0.185 0.000 1.181 1347 A CA 1.866 54.038 52.037 0.225 0.000 0.623 1347 A CB -0.615 18.536 19.000 0.252 0.000 0.818 1347 A HN 0.388 nan 8.150 nan 0.000 0.443 1348 Q N 0.278 120.145 119.800 0.112 0.000 2.030 1348 Q HA -0.211 4.137 4.340 0.014 0.000 0.204 1348 Q C 1.841 177.878 176.000 0.062 0.000 0.986 1348 Q CA 2.495 58.341 55.803 0.071 0.000 0.843 1348 Q CB -0.447 28.317 28.738 0.045 0.000 0.904 1348 Q HN 0.758 nan 8.270 nan 0.000 0.420 1349 E N -0.808 119.428 120.200 0.060 0.000 2.085 1349 E HA -0.154 4.204 4.350 0.014 0.000 0.194 1349 E C 1.673 178.310 176.600 0.061 0.000 0.994 1349 E CA 1.648 58.077 56.400 0.048 0.000 0.801 1349 E CB -0.218 29.505 29.700 0.039 0.000 0.743 1349 E HN 0.639 nan 8.360 nan 0.000 0.453 1350 T N -2.362 112.260 114.554 0.114 0.000 3.148 1350 T HA 0.206 4.564 4.350 0.014 0.000 0.253 1350 T C 1.385 176.126 174.700 0.068 0.000 1.134 1350 T CA 0.294 62.487 62.100 0.155 0.000 1.051 1350 T CB 0.294 69.339 68.868 0.295 0.000 0.959 1350 T HN 0.297 nan 8.240 nan 0.000 0.525 1351 G N 1.227 110.041 108.800 0.024 0.000 2.182 1351 G HA2 -0.211 3.757 3.960 0.014 0.000 0.248 1351 G HA3 -0.211 3.757 3.960 0.014 0.000 0.248 1351 G C -0.383 174.383 174.900 -0.224 0.000 1.042 1351 G CA -0.119 44.923 45.100 -0.097 0.000 0.775 1351 G HN 0.767 nan 8.290 nan 0.000 0.501 1352 H N -0.071 119.038 119.070 0.065 0.000 2.481 1352 H HA 0.657 5.221 4.556 0.014 0.000 0.333 1352 H C 0.639 176.013 175.328 0.077 0.000 1.066 1352 H CA 0.165 56.269 56.048 0.094 0.000 1.209 1352 H CB 1.697 31.575 29.762 0.193 0.000 1.445 1352 H HN 0.577 nan 8.280 nan 0.000 0.488 1353 A N 2.776 125.687 122.820 0.150 0.000 2.492 1353 A HA 0.576 4.904 4.320 0.014 0.000 0.254 1353 A C -0.028 177.586 177.584 0.049 0.000 1.091 1353 A CA 0.523 52.605 52.037 0.074 0.000 0.768 1353 A CB -0.453 18.575 19.000 0.046 0.000 1.028 1353 A HN 0.811 nan 8.150 nan 0.000 0.498 1354 A N 1.388 124.175 122.820 -0.055 0.000 2.602 1354 A HA 0.822 5.150 4.320 0.014 0.000 0.290 1354 A C -0.313 177.163 177.584 -0.180 0.000 1.114 1354 A CA -0.000 51.882 52.037 -0.257 0.000 0.683 1354 A CB 0.729 19.429 19.000 -0.501 0.000 1.281 1354 A HN 2.553 nan 8.150 nan 0.000 0.416 1355 C N -1.881 117.287 119.300 -0.219 0.000 3.284 1355 C HA 1.051 5.520 4.460 0.014 0.000 0.348 1355 C C 0.385 175.419 174.990 0.072 0.000 1.448 1355 C CA 0.134 59.119 59.018 -0.056 0.000 1.223 1355 C CB 0.939 28.644 27.740 -0.057 0.000 1.588 1355 C HN 3.032 nan 8.230 nan 0.000 0.451 1356 G N -0.729 108.165 108.800 0.157 0.000 2.293 1356 G HA2 0.690 4.659 3.960 0.014 0.000 0.282 1356 G HA3 0.690 4.659 3.960 0.014 0.000 0.282 1356 G C -0.368 174.670 174.900 0.229 0.000 1.299 1356 G CA 0.503 45.786 45.100 0.306 0.000 1.018 1356 G HN 3.006 nan 8.290 nan 0.000 0.478 1357 G N -1.661 107.298 108.800 0.266 0.000 2.364 1357 G HA2 0.844 4.812 3.960 0.014 0.000 0.286 1357 G HA3 0.844 4.812 3.960 0.014 0.000 0.286 1357 G C -1.369 173.560 174.900 0.048 0.000 1.241 1357 G CA 1.326 46.538 45.100 0.186 0.000 0.887 1357 G HN 2.181 nan 8.290 nan 0.000 0.484 1358 Q N -1.835 118.002 119.800 0.061 0.000 2.578 1358 Q HA 0.698 5.047 4.340 0.014 0.000 0.284 1358 Q C -1.712 174.358 176.000 0.117 0.000 0.960 1358 Q CA -0.934 54.775 55.803 -0.156 0.000 0.809 1358 Q CB 1.956 30.616 28.738 -0.130 0.000 1.462 1358 Q HN 1.149 nan 8.270 nan 0.000 0.392 1359 V N 1.290 121.292 119.914 0.147 0.000 2.567 1359 V HA 0.724 4.853 4.120 0.014 0.000 0.298 1359 V C 0.255 176.452 176.094 0.173 0.000 1.047 1359 V CA 0.186 62.635 62.300 0.247 0.000 0.880 1359 V CB 0.870 32.929 31.823 0.393 0.000 1.009 1359 V HN 1.105 nan 8.190 nan 0.000 0.429 1360 S N 4.078 119.867 115.700 0.148 0.000 3.236 1360 S HA -0.199 4.279 4.470 0.014 0.000 0.629 1360 S C 1.299 175.966 174.600 0.112 0.000 2.873 1360 S CA 1.441 59.736 58.200 0.158 0.000 3.603 1360 S CB -1.162 62.182 63.200 0.240 0.000 0.287 1360 S HN 2.154 nan 8.310 nan 0.000 1.458 1361 G N 0.975 109.858 108.800 0.139 0.000 3.414 1361 G HA2 0.435 4.404 3.960 0.014 0.000 0.258 1361 G HA3 0.435 4.404 3.960 0.014 0.000 0.258 1361 G C -0.079 174.934 174.900 0.189 0.000 1.348 1361 G CA 0.508 45.682 45.100 0.124 0.000 1.319 1361 G HN 0.664 nan 8.290 nan 0.000 0.555 1362 M N 0.925 120.593 119.600 0.113 0.000 2.263 1362 M HA 0.670 5.158 4.480 0.014 0.000 0.295 1362 M C -1.476 174.543 176.300 -0.469 0.000 1.028 1362 M CA -1.135 54.144 55.300 -0.034 0.000 0.921 1362 M CB 1.662 34.370 32.600 0.181 0.000 1.601 1362 M HN 0.130 nan 8.290 nan 0.000 0.440 1363 F N 2.080 121.568 119.950 -0.769 0.000 2.692 1363 F HA 1.043 5.579 4.527 0.014 0.000 0.320 1363 F C -0.800 174.541 175.800 -0.765 0.000 1.123 1363 F CA -0.813 56.591 58.000 -0.994 0.000 0.961 1363 F CB 1.361 40.043 39.000 -0.531 0.000 1.383 1363 F HN 0.554 nan 8.300 nan 0.000 0.483 1364 G N 0.244 108.853 108.800 -0.318 0.000 2.706 1364 G HA2 0.589 4.558 3.960 0.014 0.000 0.297 1364 G HA3 0.589 4.558 3.960 0.014 0.000 0.297 1364 G C -2.780 172.142 174.900 0.037 0.000 1.403 1364 G CA -0.755 44.232 45.100 -0.189 0.000 0.954 1364 G HN 0.825 nan 8.290 nan 0.000 0.500 1365 F N 1.905 121.637 119.950 -0.364 0.000 2.612 1365 F HA 0.721 5.256 4.527 0.014 0.000 0.332 1365 F C -1.653 173.849 175.800 -0.497 0.000 1.167 1365 F CA -1.689 56.133 58.000 -0.297 0.000 0.970 1365 F CB 1.126 39.992 39.000 -0.225 0.000 1.234 1365 F HN 0.305 nan 8.300 nan 0.000 0.453 1366 F N 5.405 124.970 119.950 -0.641 0.000 2.450 1366 F HA 0.423 4.958 4.527 0.014 0.000 0.332 1366 F C -0.298 175.049 175.800 -0.755 0.000 1.093 1366 F CA -0.690 56.975 58.000 -0.559 0.000 1.003 1366 F CB 1.205 40.025 39.000 -0.300 0.000 1.151 1366 F HN 0.288 nan 8.300 nan 0.000 0.474 1367 F N 1.966 121.792 119.950 -0.206 0.000 2.573 1367 F HA 0.353 4.888 4.527 0.014 0.000 0.349 1367 F C 0.432 176.174 175.800 -0.097 0.000 1.213 1367 F CA -0.013 57.865 58.000 -0.203 0.000 1.300 1367 F CB 0.253 39.191 39.000 -0.102 0.000 1.661 1367 F HN 0.389 nan 8.300 nan 0.000 0.616 1368 T N -0.106 114.463 114.554 0.025 0.000 3.087 1368 T HA 0.090 4.448 4.350 0.014 0.000 0.351 1368 T C 0.747 175.420 174.700 -0.045 0.000 1.520 1368 T CA -0.608 61.493 62.100 0.002 0.000 1.111 1368 T CB 0.977 69.829 68.868 -0.026 0.000 1.353 1368 T HN 0.602 nan 8.240 nan 0.000 0.481 1369 E N 2.457 122.638 120.200 -0.032 0.000 2.160 1369 E HA 0.219 4.577 4.350 0.014 0.000 0.195 1369 E C 1.420 177.986 176.600 -0.056 0.000 0.991 1369 E CA 0.898 57.276 56.400 -0.037 0.000 0.810 1369 E CB -0.563 29.124 29.700 -0.022 0.000 0.742 1369 E HN 1.239 nan 8.360 nan 0.000 0.466 1370 G N 2.289 111.043 108.800 -0.076 0.000 2.564 1370 G HA2 -0.302 3.666 3.960 0.014 0.000 0.273 1370 G HA3 -0.302 3.666 3.960 0.014 0.000 0.273 1370 G C -1.893 172.981 174.900 -0.042 0.000 1.242 1370 G CA 0.305 45.347 45.100 -0.098 0.000 0.951 1370 G HN 0.442 nan 8.290 nan 0.000 0.564 1371 P HA 0.513 nan 4.420 nan 0.000 0.274 1371 P C -0.436 176.823 177.300 -0.068 0.000 1.256 1371 P CA -0.325 62.751 63.100 -0.041 0.000 0.795 1371 P CB 1.049 32.767 31.700 0.029 0.000 1.038 1372 V N 1.968 121.734 119.914 -0.247 0.000 2.370 1372 V HA 0.134 4.262 4.120 0.014 0.000 0.279 1372 V C 0.618 176.542 176.094 -0.284 0.000 1.029 1372 V CA 0.049 62.158 62.300 -0.318 0.000 0.870 1372 V CB 0.386 31.760 31.823 -0.749 0.000 0.984 1372 V HN 0.631 nan 8.190 nan 0.000 0.451 1373 H N 2.634 121.616 119.070 -0.148 0.000 3.046 1373 H HA 0.298 4.863 4.556 0.014 0.000 0.262 1373 H C 0.656 175.955 175.328 -0.048 0.000 1.044 1373 H CA 0.206 56.195 56.048 -0.099 0.000 1.209 1373 H CB 0.536 30.235 29.762 -0.106 0.000 1.507 1373 H HN 0.801 nan 8.280 nan 0.000 0.507 1374 N N -2.183 116.554 118.700 0.062 0.000 3.106 1374 N HA -0.056 4.693 4.740 0.014 0.000 0.253 1374 N C -0.107 175.470 175.510 0.112 0.000 1.506 1374 N CA -0.657 52.455 53.050 0.103 0.000 0.876 1374 N CB 1.087 39.642 38.487 0.114 0.000 1.452 1374 N HN -0.132 nan 8.380 nan 0.000 0.542 1375 Y N 0.499 120.807 120.300 0.014 0.000 2.165 1375 Y HA -0.144 4.414 4.550 0.014 0.000 0.286 1375 Y C 2.353 178.265 175.900 0.020 0.000 1.155 1375 Y CA 2.158 60.267 58.100 0.014 0.000 1.164 1375 Y CB -0.335 38.127 38.460 0.002 0.000 0.978 1375 Y HN 0.817 nan 8.280 nan 0.000 0.513 1376 E N -0.321 119.833 120.200 -0.076 0.000 2.085 1376 E HA -0.231 4.127 4.350 0.014 0.000 0.194 1376 E C 1.657 178.176 176.600 -0.134 0.000 0.994 1376 E CA 1.597 57.894 56.400 -0.171 0.000 0.801 1376 E CB -0.096 29.561 29.700 -0.070 0.000 0.743 1376 E HN 0.507 nan 8.360 nan 0.000 0.453 1377 D N 0.060 120.409 120.400 -0.085 0.000 2.178 1377 D HA -0.143 4.505 4.640 0.014 0.000 0.201 1377 D C 1.774 177.981 176.300 -0.155 0.000 0.980 1377 D CA 1.170 55.105 54.000 -0.108 0.000 0.842 1377 D CB -0.214 40.525 40.800 -0.101 0.000 0.948 1377 D HN 0.291 nan 8.370 nan 0.000 0.472 1378 A N 1.476 124.225 122.820 -0.117 0.000 1.898 1378 A HA -0.173 4.156 4.320 0.014 0.000 0.216 1378 A C 1.968 179.649 177.584 0.163 0.000 1.181 1378 A CA 1.134 53.164 52.037 -0.011 0.000 0.620 1378 A CB -0.373 18.829 19.000 0.337 0.000 0.819 1378 A HN 0.142 nan 8.150 nan 0.000 0.442 1379 K N 0.093 120.537 120.400 0.074 0.000 2.442 1379 K HA -0.095 4.234 4.320 0.014 0.000 0.198 1379 K C 1.137 177.769 176.600 0.054 0.000 1.044 1379 K CA 1.096 57.440 56.287 0.095 0.000 0.948 1379 K CB -0.113 32.247 32.500 -0.234 0.000 0.762 1379 K HN 0.417 nan 8.250 nan 0.000 0.472 1380 K N 0.898 121.297 120.400 -0.001 0.000 2.487 1380 K HA 0.079 4.408 4.320 0.014 0.000 0.192 1380 K C 0.071 176.678 176.600 0.013 0.000 1.027 1380 K CA -0.072 56.210 56.287 -0.009 0.000 1.054 1380 K CB 0.411 32.887 32.500 -0.040 0.000 0.824 1380 K HN -0.034 nan 8.250 nan 0.000 0.510 1381 S N 1.671 117.392 115.700 0.036 0.000 2.576 1381 S HA -0.023 4.455 4.470 0.014 0.000 0.276 1381 S C -0.037 174.600 174.600 0.062 0.000 1.339 1381 S CA -0.458 57.777 58.200 0.058 0.000 1.039 1381 S CB 0.765 63.995 63.200 0.050 0.000 0.902 1381 S HN 0.159 nan 8.310 nan 0.000 0.516 1382 D N 1.895 122.353 120.400 0.097 0.000 2.383 1382 D HA 0.116 4.764 4.640 0.014 0.000 0.245 1382 D C 0.639 176.985 176.300 0.078 0.000 1.263 1382 D CA -0.370 53.666 54.000 0.060 0.000 0.936 1382 D CB 0.165 40.975 40.800 0.018 0.000 1.053 1382 D HN 0.193 nan 8.370 nan 0.000 0.507 1383 L N 3.255 124.519 121.223 0.068 0.000 2.201 1383 L HA -0.125 4.223 4.340 0.014 0.000 0.212 1383 L C 2.166 179.106 176.870 0.118 0.000 1.105 1383 L CA 1.279 56.176 54.840 0.095 0.000 0.775 1383 L CB -0.561 41.543 42.059 0.076 0.000 0.913 1383 L HN 0.373 nan 8.230 nan 0.000 0.440 1384 Q N -0.647 119.187 119.800 0.057 0.000 2.083 1384 Q HA -0.155 4.194 4.340 0.014 0.000 0.198 1384 Q C 2.301 178.293 176.000 -0.013 0.000 0.969 1384 Q CA 1.315 57.136 55.803 0.030 0.000 0.838 1384 Q CB -0.230 28.515 28.738 0.011 0.000 0.900 1384 Q HN 0.390 nan 8.270 nan 0.000 0.436 1385 K N -0.475 119.868 120.400 -0.094 0.000 2.026 1385 K HA -0.159 4.169 4.320 0.014 0.000 0.208 1385 K C 1.905 178.336 176.600 -0.282 0.000 1.048 1385 K CA 1.144 57.247 56.287 -0.307 0.000 0.929 1385 K CB -0.324 31.813 32.500 -0.604 0.000 0.713 1385 K HN 0.169 nan 8.250 nan 0.000 0.439 1386 F N 1.368 121.220 119.950 -0.164 0.000 2.120 1386 F HA -0.266 4.269 4.527 0.014 0.000 0.300 1386 F C 2.541 178.469 175.800 0.214 0.000 1.095 1386 F CA 1.988 60.134 58.000 0.244 0.000 1.249 1386 F CB -0.768 38.384 39.000 0.254 0.000 0.995 1386 F HN 0.092 nan 8.300 nan 0.000 0.480 1387 S N 0.129 115.902 115.700 0.121 0.000 2.359 1387 S HA -0.223 4.255 4.470 0.014 0.000 0.224 1387 S C 2.253 176.826 174.600 -0.045 0.000 1.035 1387 S CA 1.596 59.804 58.200 0.012 0.000 1.018 1387 S CB -0.332 62.901 63.200 0.054 0.000 0.876 1387 S HN 0.492 nan 8.310 nan 0.000 0.448 1388 R N -0.818 119.664 120.500 -0.030 0.000 2.092 1388 R HA -0.025 4.323 4.340 0.014 0.000 0.231 1388 R C 2.135 178.413 176.300 -0.037 0.000 1.119 1388 R CA 1.520 57.601 56.100 -0.031 0.000 0.970 1388 R CB -0.547 29.733 30.300 -0.034 0.000 0.864 1388 R HN 0.559 nan 8.270 nan 0.000 0.440 1389 F N 1.228 121.057 119.950 -0.201 0.000 2.146 1389 F HA -0.202 4.333 4.527 0.014 0.000 0.298 1389 F C 2.481 178.132 175.800 -0.249 0.000 1.096 1389 F CA 1.562 59.457 58.000 -0.174 0.000 1.275 1389 F CB -0.395 38.604 39.000 -0.001 0.000 1.008 1389 F HN 0.063 nan 8.300 nan 0.000 0.480 1390 H N 0.336 119.040 119.070 -0.611 0.000 2.357 1390 H HA -0.074 4.490 4.556 0.014 0.000 0.301 1390 H C 2.342 177.390 175.328 -0.467 0.000 1.082 1390 H CA 1.383 56.997 56.048 -0.724 0.000 1.342 1390 H CB -0.056 29.256 29.762 -0.751 0.000 1.389 1390 H HN 0.087 nan 8.280 nan 0.000 0.511 1391 R N 0.475 120.908 120.500 -0.111 0.000 2.092 1391 R HA -0.035 4.313 4.340 0.014 0.000 0.231 1391 R C 2.557 178.747 176.300 -0.185 0.000 1.119 1391 R CA 1.069 57.142 56.100 -0.044 0.000 0.970 1391 R CB -1.087 29.229 30.300 0.026 0.000 0.864 1391 R HN 0.496 nan 8.270 nan 0.000 0.440 1392 G N 0.278 108.941 108.800 -0.228 0.000 2.408 1392 G HA2 -0.208 3.760 3.960 0.014 0.000 0.217 1392 G HA3 -0.208 3.760 3.960 0.014 0.000 0.217 1392 G C 1.426 176.127 174.900 -0.333 0.000 1.150 1392 G CA 0.369 45.326 45.100 -0.237 0.000 0.776 1392 G HN 0.163 nan 8.290 nan 0.000 0.542 1393 M N -0.194 119.112 119.600 -0.489 0.000 2.175 1393 M HA 0.097 4.586 4.480 0.014 0.000 0.264 1393 M C 2.454 178.545 176.300 -0.348 0.000 1.063 1393 M CA 0.685 55.688 55.300 -0.495 0.000 1.119 1393 M CB -0.968 31.171 32.600 -0.768 0.000 1.377 1393 M HN 0.244 nan 8.290 nan 0.000 0.415 1394 L N 0.787 121.797 121.223 -0.355 0.000 2.046 1394 L HA -0.167 4.181 4.340 0.014 0.000 0.208 1394 L C 2.104 178.688 176.870 -0.477 0.000 1.077 1394 L CA 1.865 56.599 54.840 -0.178 0.000 0.747 1394 L CB -0.509 41.523 42.059 -0.043 0.000 0.896 1394 L HN 0.327 nan 8.230 nan 0.000 0.432 1395 E N -1.306 118.466 120.200 -0.713 0.000 2.204 1395 E HA -0.178 4.181 4.350 0.014 0.000 0.194 1395 E C 1.567 177.890 176.600 -0.461 0.000 0.989 1395 E CA 0.596 56.450 56.400 -0.910 0.000 0.824 1395 E CB -0.019 29.357 29.700 -0.540 0.000 0.756 1395 E HN 0.482 nan 8.360 nan 0.000 0.477 1396 Q N -0.505 119.108 119.800 -0.312 0.000 2.365 1396 Q HA 0.084 4.432 4.340 0.014 0.000 0.203 1396 Q C 0.893 176.801 176.000 -0.153 0.000 0.929 1396 Q CA 0.637 56.321 55.803 -0.198 0.000 0.948 1396 Q CB 1.105 29.741 28.738 -0.170 0.000 1.043 1396 Q HN 0.409 nan 8.270 nan 0.000 0.505 1397 G N 1.002 109.708 108.800 -0.157 0.000 2.136 1397 G HA2 -0.196 3.772 3.960 0.014 0.000 0.242 1397 G HA3 -0.196 3.772 3.960 0.014 0.000 0.242 1397 G C -0.032 174.914 174.900 0.077 0.000 0.989 1397 G CA -0.191 44.840 45.100 -0.116 0.000 0.682 1397 G HN 0.231 nan 8.290 nan 0.000 0.522 1398 I N 0.157 120.796 120.570 0.115 0.000 2.406 1398 I HA 0.400 4.578 4.170 0.014 0.000 0.290 1398 I C -0.398 175.802 176.117 0.138 0.000 0.999 1398 I CA -2.077 59.309 61.300 0.143 0.000 1.124 1398 I CB 1.301 39.305 38.000 0.006 0.000 1.289 1398 I HN 0.121 nan 8.210 nan 0.000 0.441 1399 Y N 7.063 127.412 120.300 0.082 0.000 2.434 1399 Y HA 0.554 5.113 4.550 0.014 0.000 0.341 1399 Y C -0.671 175.225 175.900 -0.007 0.000 0.965 1399 Y CA -0.253 57.818 58.100 -0.048 0.000 1.205 1399 Y CB 0.807 39.232 38.460 -0.059 0.000 1.121 1399 Y HN 0.420 nan 8.280 nan 0.000 0.507 1400 L N 4.762 125.646 121.223 -0.566 0.000 2.322 1400 L HA 0.731 5.079 4.340 0.014 0.000 0.269 1400 L C 0.161 176.828 176.870 -0.340 0.000 1.012 1400 L CA -1.577 53.058 54.840 -0.341 0.000 0.815 1400 L CB 1.443 43.304 42.059 -0.331 0.000 1.295 1400 L HN 0.643 nan 8.230 nan 0.000 0.438 1401 A N 2.435 125.154 122.820 -0.168 0.000 2.520 1401 A HA 0.230 4.559 4.320 0.014 0.000 0.245 1401 A C -1.915 175.713 177.584 0.072 0.000 1.072 1401 A CA -0.817 51.122 52.037 -0.164 0.000 0.761 1401 A CB -0.512 18.366 19.000 -0.202 0.000 1.004 1401 A HN 0.504 nan 8.150 nan 0.000 0.499 1402 P HA 0.083 nan 4.420 nan 0.000 0.238 1402 P C -0.341 176.878 177.300 -0.136 0.000 1.714 1402 P CA 0.599 63.368 63.100 -0.552 0.000 0.908 1402 P CB -0.296 30.875 31.700 -0.881 0.000 1.893 1403 S N 0.409 116.173 115.700 0.106 0.000 2.578 1403 S HA 0.144 4.622 4.470 0.014 0.000 0.285 1403 S C 0.497 174.769 174.600 -0.545 0.000 1.126 1403 S CA -0.462 57.705 58.200 -0.054 0.000 0.878 1403 S CB 1.431 64.662 63.200 0.051 0.000 1.091 1403 S HN 0.031 nan 8.310 nan 0.000 0.450 1404 Q N 2.548 121.662 119.800 -1.143 0.000 2.378 1404 Q HA 0.296 4.644 4.340 0.014 0.000 0.205 1404 Q C 0.203 175.600 176.000 -1.005 0.000 0.954 1404 Q CA 1.604 56.456 55.803 -1.585 0.000 0.901 1404 Q CB -0.213 27.612 28.738 -1.521 0.000 0.981 1404 Q HN 0.758 nan 8.270 nan 0.000 0.483 1405 F N 0.449 120.236 119.950 -0.271 0.000 2.645 1405 F HA 0.346 4.881 4.527 0.014 0.000 0.300 1405 F C 0.286 176.022 175.800 -0.106 0.000 1.115 1405 F CA -0.287 57.648 58.000 -0.110 0.000 1.355 1405 F CB 0.514 39.512 39.000 -0.003 0.000 1.026 1405 F HN -0.099 nan 8.300 nan 0.000 0.536 1406 E N 1.157 121.322 120.200 -0.058 0.000 2.210 1406 E HA 0.562 4.920 4.350 0.014 0.000 0.266 1406 E C -0.430 176.033 176.600 -0.228 0.000 0.883 1406 E CA -0.534 55.858 56.400 -0.013 0.000 0.761 1406 E CB 2.099 31.903 29.700 0.175 0.000 1.156 1406 E HN 0.099 nan 8.360 nan 0.000 0.412 1407 A N 2.155 124.808 122.820 -0.279 0.000 2.366 1407 A HA 0.584 4.913 4.320 0.014 0.000 0.249 1407 A C 0.601 177.533 177.584 -1.086 0.000 1.084 1407 A CA 0.332 52.030 52.037 -0.565 0.000 0.794 1407 A CB 0.396 19.182 19.000 -0.357 0.000 1.034 1407 A HN 0.522 nan 8.150 nan 0.000 0.491 1408 G N -0.729 107.187 108.800 -1.473 0.000 2.451 1408 G HA2 0.592 4.560 3.960 0.014 0.000 0.303 1408 G HA3 0.592 4.560 3.960 0.014 0.000 0.303 1408 G C -0.848 173.129 174.900 -1.538 0.000 1.166 1408 G CA -0.496 43.583 45.100 -1.702 0.000 0.884 1408 G HN 0.486 nan 8.290 nan 0.000 0.514 1409 F N -0.327 119.464 119.950 -0.265 0.000 2.563 1409 F HA 0.607 5.142 4.527 0.014 0.000 0.316 1409 F C 0.691 176.552 175.800 0.102 0.000 1.076 1409 F CA -0.797 57.178 58.000 -0.042 0.000 0.921 1409 F CB 2.991 41.960 39.000 -0.052 0.000 1.209 1409 F HN 0.644 nan 8.300 nan 0.000 0.462 1410 T N -1.522 113.146 114.554 0.191 0.000 2.926 1410 T HA 0.850 5.208 4.350 0.014 0.000 0.289 1410 T C -0.506 174.092 174.700 -0.170 0.000 1.054 1410 T CA -0.732 61.228 62.100 -0.234 0.000 1.015 1410 T CB 1.789 70.559 68.868 -0.164 0.000 1.167 1410 T HN 0.751 nan 8.240 nan 0.000 0.526 1411 S N -0.091 115.484 115.700 -0.210 0.000 2.697 1411 S HA 0.502 4.980 4.470 0.014 0.000 0.289 1411 S C 0.748 175.451 174.600 0.173 0.000 1.149 1411 S CA -1.162 57.075 58.200 0.062 0.000 0.850 1411 S CB 0.736 64.001 63.200 0.108 0.000 1.151 1411 S HN 0.657 nan 8.310 nan 0.000 0.491 1412 L N 0.539 121.848 121.223 0.143 0.000 2.549 1412 L HA 0.070 4.418 4.340 0.014 0.000 0.229 1412 L C 2.493 179.456 176.870 0.155 0.000 1.158 1412 L CA 1.161 56.109 54.840 0.180 0.000 0.842 1412 L CB -0.776 41.326 42.059 0.072 0.000 0.952 1412 L HN 0.906 nan 8.230 nan 0.000 0.452 1413 A N -1.808 121.096 122.820 0.140 0.000 2.081 1413 A HA -0.003 4.325 4.320 0.014 0.000 0.214 1413 A C 0.454 178.030 177.584 -0.013 0.000 1.158 1413 A CA 0.032 52.085 52.037 0.026 0.000 0.724 1413 A CB -0.375 18.585 19.000 -0.067 0.000 0.826 1413 A HN 0.310 nan 8.150 nan 0.000 0.463 1414 H N 1.497 120.543 119.070 -0.040 0.000 2.929 1414 H HA 0.318 4.882 4.556 0.014 0.000 0.317 1414 H C 0.921 176.306 175.328 0.096 0.000 1.031 1414 H CA 0.929 56.944 56.048 -0.055 0.000 1.466 1414 H CB 0.489 30.221 29.762 -0.050 0.000 1.482 1414 H HN 0.369 nan 8.280 nan 0.000 0.561 1415 T N -0.534 114.099 114.554 0.132 0.000 2.927 1415 T HA 0.140 4.499 4.350 0.014 0.000 0.281 1415 T C 1.326 176.121 174.700 0.159 0.000 0.998 1415 T CA -0.949 61.255 62.100 0.174 0.000 1.019 1415 T CB 1.482 70.412 68.868 0.104 0.000 1.061 1415 T HN 0.591 nan 8.240 nan 0.000 0.518 1416 E N 0.266 120.559 120.200 0.155 0.000 2.160 1416 E HA -0.140 4.218 4.350 0.014 0.000 0.195 1416 E C 1.938 178.579 176.600 0.067 0.000 0.991 1416 E CA 1.534 57.988 56.400 0.091 0.000 0.810 1416 E CB -0.171 29.579 29.700 0.084 0.000 0.742 1416 E HN 0.822 nan 8.360 nan 0.000 0.466 1417 E N 0.212 120.457 120.200 0.074 0.000 2.051 1417 E HA -0.198 4.160 4.350 0.014 0.000 0.192 1417 E C 1.659 178.301 176.600 0.070 0.000 0.991 1417 E CA 1.271 57.708 56.400 0.061 0.000 0.799 1417 E CB -0.145 29.593 29.700 0.063 0.000 0.748 1417 E HN 0.338 nan 8.360 nan 0.000 0.449 1418 D N 0.897 121.352 120.400 0.091 0.000 2.144 1418 D HA -0.145 4.503 4.640 0.014 0.000 0.199 1418 D C 2.007 178.389 176.300 0.136 0.000 0.984 1418 D CA 0.810 54.874 54.000 0.106 0.000 0.834 1418 D CB -0.091 40.733 40.800 0.040 0.000 0.955 1418 D HN 0.141 nan 8.370 nan 0.000 0.465 1419 I N 1.731 122.374 120.570 0.122 0.000 2.179 1419 I HA -0.198 3.980 4.170 0.014 0.000 0.242 1419 I C 1.849 177.974 176.117 0.013 0.000 1.088 1419 I CA 1.182 62.529 61.300 0.078 0.000 1.357 1419 I CB -0.950 37.056 38.000 0.009 0.000 1.051 1419 I HN -0.044 nan 8.210 nan 0.000 0.409 1420 D N 1.315 121.722 120.400 0.012 0.000 2.104 1420 D HA -0.160 4.489 4.640 0.014 0.000 0.194 1420 D C 2.243 178.540 176.300 -0.005 0.000 0.994 1420 D CA 1.721 55.717 54.000 -0.007 0.000 0.830 1420 D CB -0.066 40.735 40.800 0.002 0.000 0.959 1420 D HN 0.325 nan 8.370 nan 0.000 0.452 1421 A N 0.452 123.283 122.820 0.018 0.000 1.933 1421 A HA -0.154 4.174 4.320 0.014 0.000 0.218 1421 A C 2.389 179.978 177.584 0.008 0.000 1.175 1421 A CA 2.017 54.063 52.037 0.014 0.000 0.628 1421 A CB -0.779 18.240 19.000 0.032 0.000 0.814 1421 A HN 0.213 nan 8.150 nan 0.000 0.444 1422 T N 0.377 114.950 114.554 0.031 0.000 2.777 1422 T HA -0.024 4.335 4.350 0.014 0.000 0.266 1422 T C 1.790 176.438 174.700 -0.086 0.000 1.040 1422 T CA 1.313 63.415 62.100 0.004 0.000 1.141 1422 T CB -0.327 68.570 68.868 0.047 0.000 0.868 1422 T HN 0.372 nan 8.240 nan 0.000 0.444 1423 L N 0.793 121.960 121.223 -0.093 0.000 2.093 1423 L HA -0.056 4.293 4.340 0.014 0.000 0.208 1423 L C 3.057 179.884 176.870 -0.072 0.000 1.085 1423 L CA 1.110 55.883 54.840 -0.110 0.000 0.755 1423 L CB -0.688 41.309 42.059 -0.102 0.000 0.904 1423 L HN 0.241 nan 8.230 nan 0.000 0.435 1424 A N 0.176 122.966 122.820 -0.051 0.000 1.902 1424 A HA -0.177 4.152 4.320 0.014 0.000 0.217 1424 A C 2.551 180.109 177.584 -0.043 0.000 1.181 1424 A CA 1.761 53.775 52.037 -0.038 0.000 0.623 1424 A CB -0.677 18.306 19.000 -0.030 0.000 0.818 1424 A HN 0.397 nan 8.150 nan 0.000 0.443 1425 A N -0.130 122.657 122.820 -0.056 0.000 1.902 1425 A HA 0.149 4.477 4.320 0.014 0.000 0.217 1425 A C 2.512 180.054 177.584 -0.069 0.000 1.181 1425 A CA 2.145 54.138 52.037 -0.074 0.000 0.623 1425 A CB -1.044 17.899 19.000 -0.094 0.000 0.818 1425 A HN 1.090 nan 8.150 nan 0.000 0.443 1426 A N -0.304 122.479 122.820 -0.062 0.000 1.933 1426 A HA -0.142 4.186 4.320 0.014 0.000 0.218 1426 A C 2.166 179.769 177.584 0.031 0.000 1.175 1426 A CA 2.062 54.106 52.037 0.011 0.000 0.628 1426 A CB -0.437 18.533 19.000 -0.050 0.000 0.814 1426 A HN 0.520 nan 8.150 nan 0.000 0.444 1427 R N -0.356 120.140 120.500 -0.007 0.000 2.070 1427 R HA -0.098 4.251 4.340 0.014 0.000 0.233 1427 R C 2.148 178.460 176.300 0.020 0.000 1.137 1427 R CA 2.560 58.665 56.100 0.008 0.000 0.945 1427 R CB -1.186 29.110 30.300 -0.007 0.000 0.845 1427 R HN 0.414 nan 8.270 nan 0.000 0.430 1428 T N -0.075 114.479 114.554 -0.000 0.000 2.746 1428 T HA -0.102 4.257 4.350 0.014 0.000 0.267 1428 T C 1.763 176.466 174.700 0.005 0.000 1.039 1428 T CA 1.545 63.643 62.100 -0.004 0.000 1.142 1428 T CB -0.209 68.643 68.868 -0.028 0.000 0.866 1428 T HN 0.039 nan 8.240 nan 0.000 0.444 1429 V N 1.288 121.207 119.914 0.007 0.000 2.323 1429 V HA -0.075 4.053 4.120 0.014 0.000 0.244 1429 V C 2.465 178.613 176.094 0.089 0.000 1.041 1429 V CA 1.494 63.810 62.300 0.027 0.000 1.025 1429 V CB -0.518 31.298 31.823 -0.012 0.000 0.656 1429 V HN 0.467 nan 8.190 nan 0.000 0.451 1430 M N -0.307 119.365 119.600 0.120 0.000 2.296 1430 M HA -0.111 4.377 4.480 0.014 0.000 0.265 1430 M C 2.229 178.601 176.300 0.119 0.000 1.064 1430 M CA 1.252 56.582 55.300 0.050 0.000 1.109 1430 M CB -0.355 32.269 32.600 0.041 0.000 1.396 1430 M HN 0.295 nan 8.290 nan 0.000 0.430 1431 S N 0.377 116.139 115.700 0.103 0.000 2.481 1431 S HA 0.033 4.511 4.470 0.014 0.000 0.231 1431 S C 1.673 176.330 174.600 0.096 0.000 0.996 1431 S CA 1.062 59.325 58.200 0.105 0.000 0.942 1431 S CB -0.073 63.163 63.200 0.061 0.000 0.768 1431 S HN 0.549 nan 8.310 nan 0.000 0.520 1432 A N 0.168 123.035 122.820 0.078 0.000 2.390 1432 A HA 0.454 4.783 4.320 0.014 0.000 0.232 1432 A C 0.754 178.379 177.584 0.068 0.000 1.233 1432 A CA -0.290 51.782 52.037 0.058 0.000 0.907 1432 A CB 0.034 19.051 19.000 0.028 0.000 0.967 1432 A HN 0.321 nan 8.150 nan 0.000 0.512 1433 L N 0.000 121.279 121.223 0.094 0.000 2.949 1433 L HA 0.000 4.348 4.340 0.014 0.000 0.249 1433 L CA 0.000 54.889 54.840 0.082 0.000 0.813 1433 L CB 0.000 42.022 42.059 -0.062 0.000 0.961 1433 L HN 0.000 nan 8.230 nan 0.000 0.502