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 1kz7_1_D DATA FIRST_RESID 1001 DATA SEQUENCE MQTIKCVVVG DGAVGKTCLL ISYTTNKFPS EYVPTVFDNY AVTVMIGGEP DATA SEQUENCE YTLGLFDTAG QEDYDRLRPL SYPQTDVFLV CFSVVSPSSF ENVKEKWVPE DATA SEQUENCE ITHHCPKTPF LLVGTQIDLR DDPSTIEKLA KNKQKPITPE TAEKLARDLK DATA SEQUENCE AVKYVECSAL TQKGLKNVFD EAILAAL 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.316 176.300 0.026 0.000 1.140 1001 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1001 M CB 0.000 32.595 32.600 -0.008 0.000 1.302 1002 Q N 2.378 122.205 119.800 0.046 0.000 2.307 1002 Q HA 0.429 4.769 4.340 -0.000 0.000 0.259 1002 Q C -1.114 174.936 176.000 0.083 0.000 0.998 1002 Q CA -0.220 55.622 55.803 0.066 0.000 0.923 1002 Q CB 0.744 29.534 28.738 0.087 0.000 1.196 1002 Q HN 0.533 nan 8.270 nan 0.000 0.416 1003 T N 4.425 119.020 114.554 0.068 0.000 2.806 1003 T HA 0.407 4.757 4.350 -0.000 0.000 0.290 1003 T C 0.056 174.805 174.700 0.082 0.000 0.966 1003 T CA -0.508 61.639 62.100 0.078 0.000 1.060 1003 T CB 0.390 69.301 68.868 0.072 0.000 0.927 1003 T HN 0.511 nan 8.240 nan 0.000 0.485 1004 I N 3.452 124.079 120.570 0.095 0.000 2.306 1004 I HA 0.275 4.445 4.170 -0.000 0.000 0.288 1004 I C 0.584 176.758 176.117 0.095 0.000 1.036 1004 I CA -0.589 60.755 61.300 0.075 0.000 1.221 1004 I CB 0.782 38.821 38.000 0.066 0.000 1.385 1004 I HN 0.382 nan 8.210 nan 0.000 0.472 1005 K N 6.443 126.872 120.400 0.050 0.000 2.338 1005 K HA 0.200 4.520 4.320 -0.000 0.000 0.290 1005 K C -0.830 175.746 176.600 -0.039 0.000 1.069 1005 K CA -0.261 56.047 56.287 0.034 0.000 0.941 1005 K CB 0.592 33.002 32.500 -0.150 0.000 1.023 1005 K HN 0.667 nan 8.250 nan 0.000 0.477 1006 C N 5.869 125.241 119.300 0.120 0.000 2.281 1006 C HA 0.489 4.949 4.460 -0.000 0.000 0.323 1006 C C -0.627 174.441 174.990 0.130 0.000 1.270 1006 C CA -0.595 58.465 59.018 0.071 0.000 1.559 1006 C CB -0.014 27.831 27.740 0.174 0.000 2.239 1006 C HN 0.602 nan 8.230 nan 0.000 0.488 1007 V N 7.369 127.223 119.914 -0.099 0.000 2.398 1007 V HA 0.397 4.517 4.120 -0.000 0.000 0.286 1007 V C -0.041 176.136 176.094 0.138 0.000 1.026 1007 V CA -0.385 61.932 62.300 0.028 0.000 0.868 1007 V CB 1.645 33.384 31.823 -0.140 0.000 0.982 1007 V HN 0.699 nan 8.190 nan 0.000 0.443 1008 V N 6.558 126.581 119.914 0.181 0.000 2.364 1008 V HA 0.494 4.614 4.120 -0.000 0.000 0.272 1008 V C 0.167 176.292 176.094 0.052 0.000 1.036 1008 V CA -0.297 62.066 62.300 0.104 0.000 0.880 1008 V CB 1.315 33.182 31.823 0.073 0.000 0.991 1008 V HN 0.746 nan 8.190 nan 0.000 0.460 1009 V N 2.400 122.287 119.914 -0.044 0.000 3.166 1009 V HA 1.170 5.290 4.120 -0.000 0.000 0.317 1009 V C 0.195 175.909 176.094 -0.634 0.000 1.136 1009 V CA -0.058 62.054 62.300 -0.313 0.000 1.035 1009 V CB 1.593 33.257 31.823 -0.266 0.000 1.110 1009 V HN 1.434 nan 8.190 nan 0.000 0.450 1010 G N 0.355 108.324 108.800 -1.386 0.000 2.359 1010 G HA2 0.240 4.200 3.960 -0.000 0.000 0.314 1010 G HA3 0.240 4.200 3.960 -0.000 0.000 0.314 1010 G C -1.612 172.888 174.900 -0.668 0.000 1.364 1010 G CA -0.505 43.846 45.100 -1.249 0.000 0.978 1010 G HN 0.972 nan 8.290 nan 0.000 0.615 1011 D N -0.162 120.246 120.400 0.012 0.000 2.378 1011 D HA 0.463 5.103 4.640 -0.000 0.000 0.238 1011 D C 1.269 177.640 176.300 0.117 0.000 1.180 1011 D CA 1.292 55.461 54.000 0.281 0.000 0.895 1011 D CB 0.633 41.616 40.800 0.304 0.000 1.192 1011 D HN 0.772 nan 8.370 nan 0.000 0.438 1012 G N -0.601 108.282 108.800 0.139 0.000 2.527 1012 G HA2 0.409 4.369 3.960 -0.000 0.000 0.248 1012 G HA3 0.409 4.369 3.960 -0.000 0.000 0.248 1012 G C 0.533 175.478 174.900 0.075 0.000 1.231 1012 G CA 0.102 45.253 45.100 0.086 0.000 0.838 1012 G HN 0.896 nan 8.290 nan 0.000 0.570 1013 A N -0.426 122.425 122.820 0.053 0.000 3.028 1013 A HA -0.185 4.135 4.320 -0.000 0.000 0.248 1013 A C 1.529 179.142 177.584 0.049 0.000 1.316 1013 A CA 1.776 53.843 52.037 0.049 0.000 1.003 1013 A CB -2.176 16.858 19.000 0.057 0.000 1.148 1013 A HN 2.222 nan 8.150 nan 0.000 0.828 1014 V N -3.298 116.640 119.914 0.041 0.000 3.647 1014 V HA 0.587 4.707 4.120 -0.000 0.000 0.279 1014 V C 1.638 177.732 176.094 0.001 0.000 1.314 1014 V CA 0.946 63.265 62.300 0.033 0.000 1.125 1014 V CB -0.363 31.485 31.823 0.042 0.000 0.907 1014 V HN 2.450 nan 8.190 nan 0.000 0.434 1015 G N 1.107 109.910 108.800 0.005 0.000 2.171 1015 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.238 1015 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.238 1015 G C 0.617 175.505 174.900 -0.020 0.000 1.039 1015 G CA 0.637 45.737 45.100 0.000 0.000 0.759 1015 G HN 0.521 nan 8.290 nan 0.000 0.501 1016 K N -0.651 119.730 120.400 -0.031 0.000 2.009 1016 K HA -0.106 4.214 4.320 -0.000 0.000 0.210 1016 K C 2.665 179.223 176.600 -0.069 0.000 1.049 1016 K CA 1.982 58.241 56.287 -0.047 0.000 0.929 1016 K CB -0.354 32.120 32.500 -0.043 0.000 0.714 1016 K HN 0.404 nan 8.250 nan 0.000 0.440 1017 T N 1.167 115.689 114.554 -0.054 0.000 2.674 1017 T HA -0.222 4.128 4.350 -0.000 0.000 0.265 1017 T C 2.129 176.756 174.700 -0.122 0.000 1.039 1017 T CA 1.399 63.452 62.100 -0.079 0.000 1.150 1017 T CB -0.713 68.144 68.868 -0.018 0.000 0.864 1017 T HN 0.381 nan 8.240 nan 0.000 0.427 1018 C N 1.234 120.488 119.300 -0.076 0.000 2.401 1018 C HA -0.042 4.418 4.460 -0.000 0.000 0.276 1018 C C 2.618 177.595 174.990 -0.021 0.000 1.233 1018 C CA 0.810 59.791 59.018 -0.060 0.000 1.753 1018 C CB -1.575 26.172 27.740 0.011 0.000 2.029 1018 C HN 0.621 nan 8.230 nan 0.000 0.478 1019 L N -0.077 121.138 121.223 -0.014 0.000 2.046 1019 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 1019 L C 2.478 179.351 176.870 0.005 0.000 1.077 1019 L CA 1.795 56.651 54.840 0.027 0.000 0.747 1019 L CB -0.373 41.693 42.059 0.012 0.000 0.896 1019 L HN 0.403 nan 8.230 nan 0.000 0.432 1020 L N -0.421 120.690 121.223 -0.186 0.000 2.056 1020 L HA -0.226 4.114 4.340 -0.000 0.000 0.207 1020 L C 2.483 179.103 176.870 -0.417 0.000 1.078 1020 L CA 1.218 55.774 54.840 -0.474 0.000 0.749 1020 L CB -0.341 40.954 42.059 -1.274 0.000 0.901 1020 L HN 0.272 nan 8.230 nan 0.000 0.433 1021 I N -1.169 119.221 120.570 -0.300 0.000 2.315 1021 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 1021 I C 2.782 178.856 176.117 -0.071 0.000 1.117 1021 I CA 1.212 62.442 61.300 -0.116 0.000 1.404 1021 I CB -0.240 37.711 38.000 -0.082 0.000 1.071 1021 I HN 0.247 nan 8.210 nan 0.000 0.419 1022 S N 0.313 116.000 115.700 -0.020 0.000 2.368 1022 S HA -0.251 4.219 4.470 -0.000 0.000 0.224 1022 S C 2.175 176.810 174.600 0.059 0.000 1.029 1022 S CA 1.293 59.529 58.200 0.060 0.000 0.988 1022 S CB -0.380 62.924 63.200 0.173 0.000 0.838 1022 S HN 0.495 nan 8.310 nan 0.000 0.462 1023 Y N 2.635 122.891 120.300 -0.073 0.000 2.163 1023 Y HA -0.098 4.452 4.550 -0.000 0.000 0.288 1023 Y C 2.708 178.523 175.900 -0.141 0.000 1.136 1023 Y CA 2.355 60.379 58.100 -0.127 0.000 1.147 1023 Y CB -1.152 37.119 38.460 -0.315 0.000 0.987 1023 Y HN 0.470 nan 8.280 nan 0.000 0.509 1024 T N -3.439 110.921 114.554 -0.324 0.000 2.951 1024 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 1024 T C 1.611 176.175 174.700 -0.226 0.000 1.073 1024 T CA 1.464 63.370 62.100 -0.323 0.000 1.134 1024 T CB -0.984 67.804 68.868 -0.133 0.000 0.884 1024 T HN 0.507 nan 8.240 nan 0.000 0.479 1025 T N -1.443 113.014 114.554 -0.161 0.000 3.040 1025 T HA 0.215 4.565 4.350 -0.000 0.000 0.250 1025 T C 0.960 175.610 174.700 -0.083 0.000 1.058 1025 T CA -0.036 61.997 62.100 -0.112 0.000 0.988 1025 T CB -0.376 68.439 68.868 -0.087 0.000 0.993 1025 T HN 0.339 nan 8.240 nan 0.000 0.519 1026 N N 1.307 119.953 118.700 -0.089 0.000 2.741 1026 N HA -0.143 4.597 4.740 -0.000 0.000 0.251 1026 N C -0.583 174.929 175.510 0.003 0.000 1.112 1026 N CA 1.693 54.717 53.050 -0.045 0.000 0.750 1026 N CB -0.809 37.646 38.487 -0.054 0.000 1.119 1026 N HN 0.829 nan 8.380 nan 0.000 0.561 1027 K N -1.077 119.333 120.400 0.017 0.000 2.527 1027 K HA 0.531 4.851 4.320 -0.000 0.000 0.260 1027 K C -0.998 175.660 176.600 0.097 0.000 0.937 1027 K CA -0.839 55.481 56.287 0.055 0.000 0.826 1027 K CB 0.633 33.147 32.500 0.022 0.000 1.359 1027 K HN -0.077 nan 8.250 nan 0.000 0.434 1028 F N 3.067 123.009 119.950 -0.013 0.000 2.410 1028 F HA 0.450 4.977 4.527 -0.000 0.000 0.348 1028 F C -1.933 173.858 175.800 -0.015 0.000 1.106 1028 F CA -2.437 55.554 58.000 -0.015 0.000 1.163 1028 F CB 1.177 40.171 39.000 -0.011 0.000 1.129 1028 F HN 0.506 nan 8.300 nan 0.000 0.516 1029 P HA -0.007 nan 4.420 nan 0.000 0.238 1029 P C 0.711 177.675 177.300 -0.560 0.000 1.679 1029 P CA 0.447 63.205 63.100 -0.571 0.000 1.080 1029 P CB 0.090 31.452 31.700 -0.563 0.000 1.961 1030 S N 2.316 117.883 115.700 -0.223 0.000 2.377 1030 S HA -0.239 4.231 4.470 -0.000 0.000 0.224 1030 S C 1.814 176.416 174.600 0.003 0.000 1.042 1030 S CA 1.505 59.710 58.200 0.008 0.000 1.086 1030 S CB -0.326 62.931 63.200 0.095 0.000 0.995 1030 S HN 0.250 nan 8.310 nan 0.000 0.428 1031 E N -0.431 119.778 120.200 0.015 0.000 2.051 1031 E HA -0.039 4.311 4.350 -0.000 0.000 0.192 1031 E C 0.337 177.006 176.600 0.116 0.000 0.991 1031 E CA 1.056 57.490 56.400 0.057 0.000 0.799 1031 E CB -0.252 29.481 29.700 0.055 0.000 0.748 1031 E HN 0.754 nan 8.360 nan 0.000 0.449 1032 Y N -0.388 119.863 120.300 -0.083 0.000 2.401 1032 Y HA 0.278 4.828 4.550 -0.000 0.000 0.330 1032 Y C -1.261 174.562 175.900 -0.128 0.000 1.071 1032 Y CA -0.955 57.097 58.100 -0.080 0.000 1.049 1032 Y CB 1.427 39.855 38.460 -0.054 0.000 1.239 1032 Y HN -0.343 nan 8.280 nan 0.000 0.437 1033 V N 8.887 128.424 119.914 -0.628 0.000 2.372 1033 V HA 0.277 4.397 4.120 -0.000 0.000 0.261 1033 V C -2.004 173.563 176.094 -0.879 0.000 1.055 1033 V CA -1.522 60.410 62.300 -0.613 0.000 0.930 1033 V CB 0.174 31.765 31.823 -0.387 0.000 1.031 1033 V HN 0.673 nan 8.190 nan 0.000 0.479 1034 P HA 0.085 nan 4.420 nan 0.000 0.266 1034 P C 0.924 178.077 177.300 -0.245 0.000 1.193 1034 P CA 0.270 63.124 63.100 -0.411 0.000 0.770 1034 P CB 0.588 32.212 31.700 -0.127 0.000 0.836 1035 T N 0.133 114.624 114.554 -0.105 0.000 3.044 1035 T HA 0.080 4.429 4.350 -0.000 0.000 0.255 1035 T C 0.641 175.360 174.700 0.032 0.000 1.073 1035 T CA 0.540 62.627 62.100 -0.022 0.000 1.125 1035 T CB 0.180 69.071 68.868 0.039 0.000 0.908 1035 T HN 0.113 nan 8.240 nan 0.000 0.480 1036 V N 2.063 122.007 119.914 0.049 0.000 2.483 1036 V HA 0.565 4.685 4.120 -0.000 0.000 0.295 1036 V C -1.056 175.109 176.094 0.117 0.000 1.035 1036 V CA -1.016 61.327 62.300 0.072 0.000 0.896 1036 V CB 1.479 33.327 31.823 0.042 0.000 0.986 1036 V HN 0.320 nan 8.190 nan 0.000 0.447 1037 F N 3.588 123.521 119.950 -0.029 0.000 2.716 1037 F HA 0.515 5.042 4.527 -0.000 0.000 0.354 1037 F C -0.154 175.624 175.800 -0.037 0.000 1.168 1037 F CA -0.722 57.249 58.000 -0.049 0.000 1.045 1037 F CB 0.919 39.898 39.000 -0.035 0.000 1.311 1037 F HN 0.490 nan 8.300 nan 0.000 0.477 1038 D N 3.637 123.723 120.400 -0.523 0.000 2.344 1038 D HA 0.094 4.734 4.640 -0.000 0.000 0.244 1038 D C -0.186 175.730 176.300 -0.640 0.000 1.134 1038 D CA 0.003 53.752 54.000 -0.417 0.000 0.930 1038 D CB 0.713 41.347 40.800 -0.277 0.000 1.175 1038 D HN 0.433 nan 8.370 nan 0.000 0.437 1039 N N 1.037 119.483 118.700 -0.424 0.000 2.292 1039 N HA -0.099 4.641 4.740 -0.000 0.000 0.258 1039 N C -0.600 174.674 175.510 -0.394 0.000 1.261 1039 N CA 0.689 53.403 53.050 -0.560 0.000 0.845 1039 N CB 0.007 38.124 38.487 -0.617 0.000 1.064 1039 N HN 0.373 nan 8.380 nan 0.000 0.471 1040 Y N 0.205 120.204 120.300 -0.502 0.000 2.492 1040 Y HA 0.539 5.089 4.550 -0.000 0.000 0.346 1040 Y C -1.118 174.703 175.900 -0.132 0.000 0.997 1040 Y CA -1.320 56.600 58.100 -0.300 0.000 1.025 1040 Y CB 1.451 39.739 38.460 -0.288 0.000 1.263 1040 Y HN 0.584 nan 8.280 nan 0.000 0.454 1041 A N 4.859 127.310 122.820 -0.615 0.000 2.288 1041 A HA 0.765 5.085 4.320 -0.000 0.000 0.320 1041 A C -1.725 175.509 177.584 -0.583 0.000 1.217 1041 A CA -0.566 51.223 52.037 -0.413 0.000 0.840 1041 A CB 0.582 19.422 19.000 -0.267 0.000 1.179 1041 A HN 0.510 nan 8.150 nan 0.000 0.504 1042 V N 2.367 122.132 119.914 -0.248 0.000 2.487 1042 V HA 0.436 4.556 4.120 -0.000 0.000 0.298 1042 V C 0.095 176.171 176.094 -0.030 0.000 1.028 1042 V CA -0.466 61.744 62.300 -0.151 0.000 0.860 1042 V CB 1.856 33.689 31.823 0.018 0.000 0.991 1042 V HN 0.877 nan 8.190 nan 0.000 0.427 1043 T N 4.680 119.212 114.554 -0.037 0.000 2.743 1043 T HA 0.554 4.904 4.350 -0.000 0.000 0.293 1043 T C -0.160 174.568 174.700 0.047 0.000 0.945 1043 T CA -0.194 61.912 62.100 0.010 0.000 1.030 1043 T CB 1.131 69.985 68.868 -0.022 0.000 0.912 1043 T HN 0.396 nan 8.240 nan 0.000 0.483 1044 V N 4.874 124.853 119.914 0.109 0.000 2.628 1044 V HA 0.476 4.595 4.120 -0.000 0.000 0.306 1044 V C -0.089 176.091 176.094 0.144 0.000 1.045 1044 V CA -1.084 61.298 62.300 0.136 0.000 0.905 1044 V CB 1.944 33.885 31.823 0.196 0.000 0.997 1044 V HN 0.764 nan 8.190 nan 0.000 0.436 1045 M N 4.975 124.640 119.600 0.108 0.000 2.080 1045 M HA 0.488 4.968 4.480 -0.000 0.000 0.350 1045 M C -1.049 175.338 176.300 0.145 0.000 1.173 1045 M CA -0.340 55.012 55.300 0.087 0.000 1.052 1045 M CB 0.578 33.202 32.600 0.040 0.000 1.577 1045 M HN 0.377 nan 8.290 nan 0.000 0.455 1046 I N 2.255 122.961 120.570 0.228 0.000 2.437 1046 I HA 0.398 4.568 4.170 -0.000 0.000 0.279 1046 I C 0.793 177.033 176.117 0.205 0.000 1.028 1046 I CA -0.015 61.430 61.300 0.242 0.000 1.142 1046 I CB 1.511 39.698 38.000 0.312 0.000 1.266 1046 I HN 0.948 nan 8.210 nan 0.000 0.461 1047 G N 4.341 113.209 108.800 0.113 0.000 2.272 1047 G HA2 0.026 3.986 3.960 -0.000 0.000 0.280 1047 G HA3 0.026 3.986 3.960 -0.000 0.000 0.280 1047 G C 1.034 175.964 174.900 0.050 0.000 1.067 1047 G CA 0.412 45.560 45.100 0.080 0.000 0.902 1047 G HN 1.596 nan 8.290 nan 0.000 0.500 1048 G N -1.469 107.348 108.800 0.029 0.000 2.189 1048 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.267 1048 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.267 1048 G C 0.208 175.080 174.900 -0.048 0.000 0.975 1048 G CA 1.402 46.500 45.100 -0.004 0.000 0.644 1048 G HN 1.294 nan 8.290 nan 0.000 0.537 1049 E N 1.080 121.234 120.200 -0.078 0.000 2.179 1049 E HA 0.577 4.926 4.350 -0.000 0.000 0.275 1049 E C -2.289 174.050 176.600 -0.436 0.000 0.945 1049 E CA -2.255 53.988 56.400 -0.262 0.000 0.792 1049 E CB 2.095 31.606 29.700 -0.316 0.000 1.125 1049 E HN 0.137 nan 8.360 nan 0.000 0.397 1050 P HA 0.165 nan 4.420 nan 0.000 0.293 1050 P C -1.315 175.692 177.300 -0.488 0.000 1.313 1050 P CA -0.229 62.669 63.100 -0.336 0.000 0.787 1050 P CB 0.250 31.840 31.700 -0.184 0.000 0.910 1051 Y N 0.488 120.800 120.300 0.020 0.000 2.326 1051 Y HA 0.259 4.809 4.550 -0.000 0.000 0.331 1051 Y C 0.840 176.757 175.900 0.027 0.000 0.962 1051 Y CA -0.653 57.463 58.100 0.026 0.000 1.167 1051 Y CB 1.825 40.307 38.460 0.037 0.000 1.148 1051 Y HN 0.166 nan 8.280 nan 0.000 0.463 1052 T N 5.259 119.906 114.554 0.154 0.000 2.729 1052 T HA 0.267 4.617 4.350 -0.000 0.000 0.296 1052 T C -0.706 174.061 174.700 0.111 0.000 0.928 1052 T CA -0.291 61.861 62.100 0.087 0.000 1.045 1052 T CB 0.223 69.113 68.868 0.038 0.000 0.902 1052 T HN 0.269 nan 8.240 nan 0.000 0.500 1053 L N 4.274 125.561 121.223 0.107 0.000 2.272 1053 L HA 0.649 4.989 4.340 -0.000 0.000 0.289 1053 L C 0.481 177.428 176.870 0.128 0.000 1.032 1053 L CA -0.165 54.760 54.840 0.140 0.000 0.810 1053 L CB 0.860 43.031 42.059 0.186 0.000 1.205 1053 L HN 0.688 nan 8.230 nan 0.000 0.422 1054 G N 6.597 115.507 108.800 0.184 0.000 2.404 1054 G HA2 0.458 4.418 3.960 -0.000 0.000 0.316 1054 G HA3 0.458 4.418 3.960 -0.000 0.000 0.316 1054 G C -0.622 174.484 174.900 0.343 0.000 1.074 1054 G CA -0.516 44.718 45.100 0.224 0.000 0.989 1054 G HN 0.569 nan 8.290 nan 0.000 0.430 1055 L N 2.625 123.971 121.223 0.205 0.000 2.281 1055 L HA 0.431 4.771 4.340 -0.000 0.000 0.285 1055 L C -0.713 176.288 176.870 0.217 0.000 1.074 1055 L CA -0.492 54.564 54.840 0.360 0.000 0.817 1055 L CB 0.689 43.054 42.059 0.511 0.000 1.168 1055 L HN 0.323 nan 8.230 nan 0.000 0.434 1056 F N 1.241 121.362 119.950 0.284 0.000 2.467 1056 F HA 0.344 4.871 4.527 -0.000 0.000 0.336 1056 F C 0.321 176.278 175.800 0.261 0.000 1.123 1056 F CA -0.940 57.209 58.000 0.248 0.000 0.964 1056 F CB 1.442 40.530 39.000 0.147 0.000 1.136 1056 F HN 0.369 nan 8.300 nan 0.000 0.447 1057 D N 0.373 121.039 120.400 0.443 0.000 2.332 1057 D HA 0.427 5.067 4.640 -0.000 0.000 0.252 1057 D C 0.611 177.064 176.300 0.256 0.000 1.050 1057 D CA -0.186 54.006 54.000 0.320 0.000 0.970 1057 D CB 1.646 42.668 40.800 0.369 0.000 1.141 1057 D HN 0.602 nan 8.370 nan 0.000 0.485 1058 T N -1.721 112.939 114.554 0.176 0.000 3.087 1058 T HA 0.458 4.808 4.350 -0.000 0.000 0.283 1058 T C 0.611 175.385 174.700 0.123 0.000 0.956 1058 T CA 0.026 62.219 62.100 0.156 0.000 0.894 1058 T CB -0.113 68.843 68.868 0.147 0.000 1.160 1058 T HN 0.470 nan 8.240 nan 0.000 0.532 1059 A N 0.870 123.753 122.820 0.105 0.000 2.580 1059 A HA 0.487 4.807 4.320 -0.000 0.000 0.244 1059 A C 1.749 179.403 177.584 0.116 0.000 1.045 1059 A CA 0.796 52.888 52.037 0.091 0.000 0.761 1059 A CB -1.136 17.909 19.000 0.076 0.000 0.962 1059 A HN 1.705 nan 8.150 nan 0.000 0.512 1060 G N 1.570 110.447 108.800 0.128 0.000 2.213 1060 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.226 1060 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.226 1060 G C 0.599 175.650 174.900 0.252 0.000 0.992 1060 G CA 0.592 45.792 45.100 0.167 0.000 0.632 1060 G HN 0.800 nan 8.290 nan 0.000 0.511 1061 Q N -0.100 119.838 119.800 0.230 0.000 2.282 1061 Q HA 0.309 4.649 4.340 -0.000 0.000 0.206 1061 Q C 1.803 177.949 176.000 0.244 0.000 0.878 1061 Q CA 0.463 56.446 55.803 0.301 0.000 0.944 1061 Q CB 0.259 29.126 28.738 0.215 0.000 1.100 1061 Q HN 0.562 nan 8.270 nan 0.000 0.509 1062 E N 1.297 121.615 120.200 0.197 0.000 2.130 1062 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 1062 E C 0.707 177.340 176.600 0.055 0.000 0.998 1062 E CA 1.321 57.874 56.400 0.255 0.000 0.806 1062 E CB 0.071 29.925 29.700 0.256 0.000 0.738 1062 E HN 0.306 nan 8.360 nan 0.000 0.459 1063 D N -0.986 119.266 120.400 -0.247 0.000 2.340 1063 D HA -0.001 4.639 4.640 -0.000 0.000 0.217 1063 D C -0.487 175.437 176.300 -0.627 0.000 1.081 1063 D CA 0.191 53.908 54.000 -0.471 0.000 0.842 1063 D CB 0.133 40.569 40.800 -0.606 0.000 0.934 1063 D HN 0.304 nan 8.370 nan 0.000 0.511 1064 Y N 1.594 121.927 120.300 0.056 0.000 2.842 1064 Y HA 0.104 4.654 4.550 -0.000 0.000 0.334 1064 Y C 1.072 176.985 175.900 0.021 0.000 1.019 1064 Y CA -1.126 56.993 58.100 0.031 0.000 1.258 1064 Y CB 0.784 39.262 38.460 0.029 0.000 1.106 1064 Y HN -0.221 nan 8.280 nan 0.000 0.545 1065 D N 0.104 120.559 120.400 0.092 0.000 2.311 1065 D HA -0.187 4.453 4.640 -0.000 0.000 0.212 1065 D C 1.476 177.810 176.300 0.056 0.000 0.972 1065 D CA 1.210 55.242 54.000 0.053 0.000 0.887 1065 D CB 0.295 41.104 40.800 0.014 0.000 0.915 1065 D HN 0.299 nan 8.370 nan 0.000 0.497 1066 R N -0.601 119.942 120.500 0.073 0.000 2.282 1066 R HA 0.309 4.649 4.340 -0.000 0.000 0.195 1066 R C 2.198 178.505 176.300 0.011 0.000 0.909 1066 R CA 0.007 56.132 56.100 0.042 0.000 1.039 1066 R CB 0.164 30.492 30.300 0.046 0.000 1.015 1066 R HN 0.312 nan 8.270 nan 0.000 0.513 1067 L N -0.382 120.862 121.223 0.036 0.000 2.253 1067 L HA 0.140 4.480 4.340 -0.000 0.000 0.205 1067 L C 2.633 179.477 176.870 -0.043 0.000 1.078 1067 L CA 0.386 55.228 54.840 0.003 0.000 0.805 1067 L CB -0.352 41.721 42.059 0.024 0.000 0.963 1067 L HN 0.025 nan 8.230 nan 0.000 0.459 1068 R N 1.004 121.493 120.500 -0.017 0.000 2.112 1068 R HA -0.198 4.142 4.340 -0.000 0.000 0.242 1068 R C -0.529 175.470 176.300 -0.502 0.000 1.137 1068 R CA 2.126 58.168 56.100 -0.096 0.000 0.944 1068 R CB -1.188 29.139 30.300 0.045 0.000 0.857 1068 R HN 0.224 nan 8.270 nan 0.000 0.435 1069 P HA -0.086 nan 4.420 nan 0.000 0.225 1069 P C 0.903 177.830 177.300 -0.622 0.000 1.148 1069 P CA 0.970 63.461 63.100 -1.015 0.000 0.779 1069 P CB -0.066 31.242 31.700 -0.654 0.000 0.780 1070 L N -1.329 119.699 121.223 -0.325 0.000 2.261 1070 L HA -0.150 4.190 4.340 -0.000 0.000 0.216 1070 L C 1.859 178.654 176.870 -0.125 0.000 1.114 1070 L CA 1.323 56.070 54.840 -0.155 0.000 0.777 1070 L CB -0.855 41.156 42.059 -0.080 0.000 0.910 1070 L HN 0.003 nan 8.230 nan 0.000 0.440 1071 S N -1.918 113.669 115.700 -0.187 0.000 2.558 1071 S HA 0.038 4.508 4.470 -0.000 0.000 0.217 1071 S C 1.644 176.291 174.600 0.078 0.000 0.975 1071 S CA 0.024 58.195 58.200 -0.049 0.000 0.912 1071 S CB -0.009 63.215 63.200 0.040 0.000 0.776 1071 S HN 0.428 nan 8.310 nan 0.000 0.526 1072 Y N 1.535 121.850 120.300 0.024 0.000 2.286 1072 Y HA 0.052 4.602 4.550 -0.000 0.000 0.293 1072 Y C -1.507 174.424 175.900 0.052 0.000 1.124 1072 Y CA -0.937 57.236 58.100 0.121 0.000 1.178 1072 Y CB -1.570 36.986 38.460 0.160 0.000 1.010 1072 Y HN 0.127 nan 8.280 nan 0.000 0.536 1073 P HA -0.128 nan 4.420 nan 0.000 0.263 1073 P C -0.383 176.926 177.300 0.015 0.000 1.168 1073 P CA 1.402 64.557 63.100 0.092 0.000 0.759 1073 P CB 0.164 31.898 31.700 0.056 0.000 0.782 1074 Q N -1.515 118.297 119.800 0.020 0.000 2.494 1074 Q HA -0.190 4.150 4.340 -0.000 0.000 0.266 1074 Q C -0.435 175.515 176.000 -0.084 0.000 1.053 1074 Q CA 0.833 56.624 55.803 -0.020 0.000 1.029 1074 Q CB -2.376 26.347 28.738 -0.025 0.000 1.423 1074 Q HN 0.500 nan 8.270 nan 0.000 0.516 1075 T N 0.606 115.093 114.554 -0.112 0.000 2.832 1075 T HA 0.086 4.436 4.350 -0.000 0.000 0.296 1075 T C 0.900 175.485 174.700 -0.191 0.000 0.968 1075 T CA -0.394 61.535 62.100 -0.285 0.000 1.107 1075 T CB 0.754 69.243 68.868 -0.632 0.000 0.916 1075 T HN 0.080 nan 8.240 nan 0.000 0.517 1076 D N 1.377 121.671 120.400 -0.176 0.000 2.271 1076 D HA 0.136 4.776 4.640 -0.000 0.000 0.206 1076 D C 0.415 176.671 176.300 -0.075 0.000 0.967 1076 D CA 0.612 54.562 54.000 -0.083 0.000 0.867 1076 D CB 0.605 41.378 40.800 -0.045 0.000 0.960 1076 D HN 0.296 nan 8.370 nan 0.000 0.509 1077 V N 0.286 120.105 119.914 -0.159 0.000 2.950 1077 V HA 0.338 4.458 4.120 -0.000 0.000 0.295 1077 V C -1.914 174.074 176.094 -0.177 0.000 1.297 1077 V CA -0.792 61.466 62.300 -0.071 0.000 0.962 1077 V CB 1.770 33.578 31.823 -0.024 0.000 1.081 1077 V HN -0.188 nan 8.190 nan 0.000 0.432 1078 F N 5.647 125.638 119.950 0.068 0.000 2.450 1078 F HA 0.668 5.195 4.527 -0.000 0.000 0.332 1078 F C 0.121 175.965 175.800 0.074 0.000 1.093 1078 F CA -0.671 57.358 58.000 0.047 0.000 1.003 1078 F CB 2.012 41.012 39.000 -0.000 0.000 1.151 1078 F HN 0.268 nan 8.300 nan 0.000 0.474 1079 L N 4.349 125.702 121.223 0.217 0.000 2.313 1079 L HA 0.381 4.721 4.340 -0.000 0.000 0.273 1079 L C -0.951 175.978 176.870 0.099 0.000 1.028 1079 L CA -0.758 54.140 54.840 0.097 0.000 0.871 1079 L CB 1.155 43.184 42.059 -0.049 0.000 1.242 1079 L HN 0.296 nan 8.230 nan 0.000 0.434 1080 V N 2.457 122.465 119.914 0.157 0.000 2.370 1080 V HA 0.096 4.216 4.120 -0.000 0.000 0.257 1080 V C 0.445 176.609 176.094 0.117 0.000 1.064 1080 V CA -0.252 62.099 62.300 0.085 0.000 0.975 1080 V CB 0.462 32.359 31.823 0.123 0.000 1.067 1080 V HN 0.766 nan 8.190 nan 0.000 0.485 1081 C N 5.992 125.293 119.300 0.002 0.000 2.382 1081 C HA 0.857 5.317 4.460 -0.000 0.000 0.363 1081 C C -0.084 175.005 174.990 0.165 0.000 1.213 1081 C CA -0.654 58.380 59.018 0.027 0.000 2.363 1081 C CB 0.306 28.002 27.740 -0.073 0.000 2.397 1081 C HN 0.887 nan 8.230 nan 0.000 0.573 1082 F N -0.124 119.874 119.950 0.080 0.000 2.672 1082 F HA 0.534 5.061 4.527 -0.000 0.000 0.311 1082 F C -0.702 175.173 175.800 0.126 0.000 1.113 1082 F CA -0.682 57.400 58.000 0.136 0.000 0.996 1082 F CB 0.592 39.746 39.000 0.257 0.000 1.286 1082 F HN 0.434 nan 8.300 nan 0.000 0.441 1083 S N 2.072 117.847 115.700 0.126 0.000 2.523 1083 S HA 0.379 4.849 4.470 -0.000 0.000 0.275 1083 S C 1.151 175.821 174.600 0.118 0.000 1.281 1083 S CA -0.132 58.066 58.200 -0.004 0.000 1.050 1083 S CB 1.118 64.360 63.200 0.071 0.000 0.937 1083 S HN 1.517 nan 8.310 nan 0.000 0.492 1084 V N 4.087 123.968 119.914 -0.054 0.000 2.759 1084 V HA -0.011 4.109 4.120 -0.000 0.000 0.256 1084 V C 1.292 177.448 176.094 0.102 0.000 1.080 1084 V CA 1.750 64.118 62.300 0.113 0.000 1.101 1084 V CB -0.981 30.849 31.823 0.011 0.000 0.698 1084 V HN 0.897 nan 8.190 nan 0.000 0.477 1085 V N -1.615 118.341 119.914 0.069 0.000 3.170 1085 V HA 0.541 4.661 4.120 -0.000 0.000 0.354 1085 V C 0.580 176.721 176.094 0.078 0.000 1.350 1085 V CA 0.554 62.886 62.300 0.053 0.000 1.244 1085 V CB -0.479 31.360 31.823 0.027 0.000 1.222 1085 V HN 0.471 nan 8.190 nan 0.000 0.478 1086 S N 0.812 116.592 115.700 0.133 0.000 2.389 1086 S HA 0.539 5.009 4.470 -0.000 0.000 0.201 1086 S C -1.841 172.874 174.600 0.192 0.000 1.422 1086 S CA -0.782 57.506 58.200 0.148 0.000 1.216 1086 S CB 1.702 64.998 63.200 0.161 0.000 1.130 1086 S HN 0.256 nan 8.310 nan 0.000 0.465 1087 P HA -0.147 nan 4.420 nan 0.000 0.216 1087 P C 1.742 179.147 177.300 0.175 0.000 1.150 1087 P CA 1.484 64.671 63.100 0.145 0.000 0.843 1087 P CB 0.027 31.777 31.700 0.083 0.000 0.787 1088 S N -0.699 115.081 115.700 0.132 0.000 2.399 1088 S HA -0.159 4.311 4.470 -0.000 0.000 0.231 1088 S C 2.059 176.746 174.600 0.145 0.000 1.022 1088 S CA 1.587 59.853 58.200 0.110 0.000 0.983 1088 S CB -1.588 61.662 63.200 0.084 0.000 0.803 1088 S HN 0.285 nan 8.310 nan 0.000 0.480 1089 S N 0.815 116.642 115.700 0.211 0.000 2.414 1089 S HA 0.050 4.520 4.470 -0.000 0.000 0.227 1089 S C 1.559 176.336 174.600 0.296 0.000 1.022 1089 S CA 0.401 58.767 58.200 0.277 0.000 0.958 1089 S CB -0.878 62.507 63.200 0.307 0.000 0.797 1089 S HN 0.465 nan 8.310 nan 0.000 0.493 1090 F N 2.982 122.964 119.950 0.054 0.000 2.186 1090 F HA 0.089 4.616 4.527 -0.000 0.000 0.299 1090 F C 2.331 178.029 175.800 -0.171 0.000 1.090 1090 F CA 1.581 59.407 58.000 -0.289 0.000 1.307 1090 F CB -0.551 38.174 39.000 -0.458 0.000 1.019 1090 F HN 0.256 nan 8.300 nan 0.000 0.489 1091 E N 0.683 120.858 120.200 -0.042 0.000 2.031 1091 E HA -0.224 4.125 4.350 -0.000 0.000 0.193 1091 E C 1.962 178.481 176.600 -0.134 0.000 0.994 1091 E CA 1.841 58.169 56.400 -0.119 0.000 0.800 1091 E CB -0.642 29.050 29.700 -0.014 0.000 0.752 1091 E HN 0.313 nan 8.360 nan 0.000 0.447 1092 N N -0.102 118.580 118.700 -0.030 0.000 2.364 1092 N HA -0.117 4.623 4.740 -0.000 0.000 0.183 1092 N C 1.710 177.219 175.510 -0.002 0.000 1.022 1092 N CA 0.964 53.987 53.050 -0.045 0.000 0.883 1092 N CB 0.018 38.537 38.487 0.053 0.000 0.965 1092 N HN 0.092 nan 8.380 nan 0.000 0.438 1093 V N 1.387 121.333 119.914 0.054 0.000 2.287 1093 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 1093 V C 2.494 178.536 176.094 -0.087 0.000 1.053 1093 V CA 1.630 63.975 62.300 0.076 0.000 1.027 1093 V CB -0.337 31.412 31.823 -0.124 0.000 0.646 1093 V HN 0.330 nan 8.190 nan 0.000 0.447 1094 K N -0.373 119.893 120.400 -0.222 0.000 2.116 1094 K HA -0.161 4.159 4.320 -0.000 0.000 0.203 1094 K C 2.071 178.568 176.600 -0.171 0.000 1.052 1094 K CA 1.434 57.596 56.287 -0.208 0.000 0.952 1094 K CB 0.082 32.420 32.500 -0.270 0.000 0.729 1094 K HN 0.351 nan 8.250 nan 0.000 0.446 1095 E N 0.295 120.387 120.200 -0.180 0.000 2.385 1095 E HA -0.026 4.324 4.350 -0.000 0.000 0.194 1095 E C 1.389 177.851 176.600 -0.231 0.000 1.013 1095 E CA 0.790 57.083 56.400 -0.177 0.000 0.866 1095 E CB 0.438 30.044 29.700 -0.156 0.000 0.832 1095 E HN 0.225 nan 8.360 nan 0.000 0.500 1096 K N -1.879 118.332 120.400 -0.316 0.000 2.524 1096 K HA 0.061 4.381 4.320 -0.000 0.000 0.210 1096 K C 1.500 177.812 176.600 -0.481 0.000 1.340 1096 K CA 0.171 56.158 56.287 -0.501 0.000 0.880 1096 K CB -0.528 31.479 32.500 -0.822 0.000 1.616 1096 K HN 0.029 nan 8.250 nan 0.000 0.457 1097 W N 1.577 122.809 121.300 -0.113 0.000 2.333 1097 W HA -0.172 4.488 4.660 -0.000 0.000 0.316 1097 W C 2.023 178.370 176.519 -0.286 0.000 1.215 1097 W CA 0.647 57.895 57.345 -0.161 0.000 1.278 1097 W CB -0.619 28.764 29.460 -0.128 0.000 1.154 1097 W HN -0.092 nan 8.180 nan 0.000 0.486 1098 V N 1.050 120.897 119.914 -0.111 0.000 2.287 1098 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 1098 V C -0.506 175.435 176.094 -0.255 0.000 1.053 1098 V CA 1.988 64.092 62.300 -0.328 0.000 1.027 1098 V CB -2.146 29.510 31.823 -0.278 0.000 0.646 1098 V HN 0.004 nan 8.190 nan 0.000 0.447 1099 P HA -0.180 nan 4.420 nan 0.000 0.215 1099 P C 1.703 178.949 177.300 -0.089 0.000 1.153 1099 P CA 1.629 64.655 63.100 -0.124 0.000 0.853 1099 P CB 0.092 31.713 31.700 -0.131 0.000 0.788 1100 E N 0.122 120.270 120.200 -0.086 0.000 2.031 1100 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 1100 E C 1.953 178.562 176.600 0.015 0.000 0.994 1100 E CA 1.284 57.710 56.400 0.043 0.000 0.800 1100 E CB -0.574 29.179 29.700 0.089 0.000 0.752 1100 E HN 0.212 nan 8.360 nan 0.000 0.447 1101 I N -1.174 119.211 120.570 -0.309 0.000 2.493 1101 I HA -0.129 4.041 4.170 -0.000 0.000 0.254 1101 I C 1.994 177.884 176.117 -0.379 0.000 1.160 1101 I CA 1.363 62.253 61.300 -0.683 0.000 1.445 1101 I CB -0.450 36.752 38.000 -1.331 0.000 1.086 1101 I HN -0.033 nan 8.210 nan 0.000 0.433 1102 T N 0.095 114.496 114.554 -0.254 0.000 2.777 1102 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 1102 T C 1.792 176.464 174.700 -0.048 0.000 1.040 1102 T CA 2.112 64.138 62.100 -0.123 0.000 1.141 1102 T CB -0.502 68.311 68.868 -0.091 0.000 0.868 1102 T HN 0.594 nan 8.240 nan 0.000 0.444 1103 H N 0.652 119.654 119.070 -0.113 0.000 2.326 1103 H HA -0.032 4.524 4.556 -0.000 0.000 0.301 1103 H C 2.282 177.520 175.328 -0.150 0.000 1.081 1103 H CA 1.626 57.591 56.048 -0.138 0.000 1.334 1103 H CB -0.121 29.523 29.762 -0.196 0.000 1.385 1103 H HN 0.399 nan 8.280 nan 0.000 0.504 1104 H N -1.463 117.594 119.070 -0.022 0.000 2.403 1104 H HA 0.108 4.664 4.556 -0.000 0.000 0.298 1104 H C 0.354 175.680 175.328 -0.003 0.000 1.059 1104 H CA 1.245 57.300 56.048 0.012 0.000 1.363 1104 H CB 0.075 29.973 29.762 0.227 0.000 1.410 1104 H HN 0.284 nan 8.280 nan 0.000 0.528 1105 C N 2.104 121.461 119.300 0.094 0.000 3.169 1105 C HA 0.220 4.680 4.460 -0.000 0.000 0.232 1105 C C -1.307 173.718 174.990 0.058 0.000 1.316 1105 C CA -1.275 57.812 59.018 0.114 0.000 1.545 1105 C CB 0.951 28.858 27.740 0.278 0.000 1.785 1105 C HN 0.262 nan 8.230 nan 0.000 0.454 1106 P HA -0.161 nan 4.420 nan 0.000 0.214 1106 P C 1.159 178.491 177.300 0.052 0.000 1.163 1106 P CA 1.635 64.742 63.100 0.011 0.000 0.889 1106 P CB 0.142 31.831 31.700 -0.020 0.000 0.790 1107 K N -1.447 118.986 120.400 0.056 0.000 2.505 1107 K HA 0.098 4.418 4.320 -0.000 0.000 0.192 1107 K C 0.060 176.715 176.600 0.092 0.000 1.025 1107 K CA 0.354 56.679 56.287 0.063 0.000 1.086 1107 K CB -0.327 32.198 32.500 0.043 0.000 0.840 1107 K HN 0.136 nan 8.250 nan 0.000 0.514 1108 T N 4.159 118.797 114.554 0.140 0.000 2.743 1108 T HA 0.175 4.525 4.350 -0.000 0.000 0.293 1108 T C -2.158 172.696 174.700 0.257 0.000 0.945 1108 T CA -1.488 60.727 62.100 0.192 0.000 1.030 1108 T CB 1.147 70.188 68.868 0.289 0.000 0.912 1108 T HN 0.079 nan 8.240 nan 0.000 0.483 1109 P HA 0.383 nan 4.420 nan 0.000 0.272 1109 P C -0.908 176.565 177.300 0.288 0.000 1.240 1109 P CA -0.408 62.782 63.100 0.149 0.000 0.791 1109 P CB 0.464 32.184 31.700 0.034 0.000 0.978 1110 F N -1.133 118.864 119.950 0.079 0.000 2.665 1110 F HA 0.603 5.130 4.527 -0.000 0.000 0.308 1110 F C -1.912 173.923 175.800 0.057 0.000 1.112 1110 F CA -1.324 56.736 58.000 0.099 0.000 0.972 1110 F CB 0.732 39.808 39.000 0.127 0.000 1.295 1110 F HN 0.039 nan 8.300 nan 0.000 0.440 1111 L N 2.974 124.283 121.223 0.143 0.000 2.334 1111 L HA 0.622 4.962 4.340 -0.000 0.000 0.270 1111 L C -1.039 175.973 176.870 0.236 0.000 1.018 1111 L CA -1.346 53.517 54.840 0.039 0.000 0.811 1111 L CB 1.804 43.844 42.059 -0.032 0.000 1.271 1111 L HN 0.711 nan 8.230 nan 0.000 0.443 1112 L N 2.295 123.663 121.223 0.241 0.000 2.272 1112 L HA 0.525 4.865 4.340 -0.000 0.000 0.289 1112 L C -0.648 176.432 176.870 0.349 0.000 1.032 1112 L CA -0.134 54.957 54.840 0.417 0.000 0.810 1112 L CB 1.535 43.911 42.059 0.528 0.000 1.205 1112 L HN 0.224 nan 8.230 nan 0.000 0.422 1113 V N 4.519 124.587 119.914 0.256 0.000 2.448 1113 V HA 0.730 4.850 4.120 -0.000 0.000 0.295 1113 V C 0.539 176.557 176.094 -0.127 0.000 1.025 1113 V CA -0.523 61.776 62.300 -0.001 0.000 0.859 1113 V CB 1.415 33.164 31.823 -0.124 0.000 0.988 1113 V HN 0.883 nan 8.190 nan 0.000 0.431 1114 G N 2.414 111.049 108.800 -0.274 0.000 2.343 1114 G HA2 0.648 4.608 3.960 -0.000 0.000 0.319 1114 G HA3 0.648 4.608 3.960 -0.000 0.000 0.319 1114 G C -0.102 174.538 174.900 -0.434 0.000 1.126 1114 G CA -0.123 44.562 45.100 -0.691 0.000 0.889 1114 G HN 0.813 nan 8.290 nan 0.000 0.457 1115 T N -0.749 113.544 114.554 -0.435 0.000 2.940 1115 T HA 0.500 4.850 4.350 -0.000 0.000 0.288 1115 T C 0.266 174.874 174.700 -0.153 0.000 1.045 1115 T CA -0.477 61.489 62.100 -0.223 0.000 1.018 1115 T CB 1.538 70.312 68.868 -0.158 0.000 1.151 1115 T HN 0.678 nan 8.240 nan 0.000 0.529 1116 Q N 0.073 119.815 119.800 -0.096 0.000 2.475 1116 Q HA -0.173 4.167 4.340 -0.000 0.000 0.280 1116 Q C 1.119 177.078 176.000 -0.068 0.000 1.234 1116 Q CA 0.709 56.471 55.803 -0.069 0.000 0.873 1116 Q CB -1.829 26.884 28.738 -0.041 0.000 1.256 1116 Q HN 0.835 nan 8.270 nan 0.000 0.475 1117 I N -2.112 118.412 120.570 -0.078 0.000 2.916 1117 I HA -0.157 4.013 4.170 -0.000 0.000 0.267 1117 I C 1.496 177.582 176.117 -0.051 0.000 1.263 1117 I CA 1.542 62.807 61.300 -0.058 0.000 1.471 1117 I CB -0.335 37.631 38.000 -0.056 0.000 1.089 1117 I HN 0.184 nan 8.210 nan 0.000 0.468 1118 D N 1.656 122.017 120.400 -0.065 0.000 2.352 1118 D HA -0.072 4.568 4.640 -0.000 0.000 0.232 1118 D C 1.577 177.844 176.300 -0.054 0.000 1.055 1118 D CA 0.488 54.447 54.000 -0.068 0.000 0.891 1118 D CB 0.072 40.812 40.800 -0.101 0.000 0.897 1118 D HN 0.522 nan 8.370 nan 0.000 0.529 1119 L N -0.564 120.634 121.223 -0.041 0.000 2.817 1119 L HA 0.237 4.577 4.340 -0.000 0.000 0.248 1119 L C 2.443 179.302 176.870 -0.018 0.000 1.133 1119 L CA -0.428 54.395 54.840 -0.027 0.000 0.935 1119 L CB 0.258 42.305 42.059 -0.020 0.000 1.266 1119 L HN -0.190 nan 8.230 nan 0.000 0.535 1120 R N 1.273 121.762 120.500 -0.019 0.000 2.117 1120 R HA -0.149 4.191 4.340 -0.000 0.000 0.243 1120 R C 0.512 176.805 176.300 -0.012 0.000 1.143 1120 R CA 1.681 57.773 56.100 -0.013 0.000 0.968 1120 R CB -0.199 30.094 30.300 -0.012 0.000 0.863 1120 R HN 0.473 nan 8.270 nan 0.000 0.444 1121 D N -0.189 120.202 120.400 -0.015 0.000 2.738 1121 D HA 0.022 4.662 4.640 -0.000 0.000 0.246 1121 D C -0.790 175.502 176.300 -0.013 0.000 1.270 1121 D CA -0.206 53.786 54.000 -0.013 0.000 0.833 1121 D CB -0.109 40.682 40.800 -0.015 0.000 1.040 1121 D HN -0.035 nan 8.370 nan 0.000 0.487 1122 D N 0.759 121.152 120.400 -0.012 0.000 2.280 1122 D HA 0.219 4.859 4.640 -0.000 0.000 0.236 1122 D C -1.607 174.690 176.300 -0.005 0.000 1.082 1122 D CA -2.200 51.794 54.000 -0.010 0.000 0.834 1122 D CB 2.251 43.045 40.800 -0.011 0.000 1.100 1122 D HN -0.234 nan 8.370 nan 0.000 0.486 1123 P HA -0.231 nan 4.420 nan 0.000 0.214 1123 P C 1.103 178.403 177.300 0.001 0.000 1.172 1123 P CA 1.401 64.500 63.100 -0.002 0.000 0.925 1123 P CB 0.203 31.902 31.700 -0.001 0.000 0.793 1124 S N -1.084 114.617 115.700 0.002 0.000 2.351 1124 S HA -0.167 4.303 4.470 -0.000 0.000 0.220 1124 S C 2.014 176.617 174.600 0.007 0.000 1.035 1124 S CA 2.116 60.319 58.200 0.005 0.000 1.031 1124 S CB -1.650 61.555 63.200 0.007 0.000 0.928 1124 S HN 0.284 nan 8.310 nan 0.000 0.433 1125 T N 2.726 117.283 114.554 0.006 0.000 2.699 1125 T HA -0.048 4.302 4.350 -0.000 0.000 0.268 1125 T C 1.733 176.437 174.700 0.007 0.000 1.036 1125 T CA 1.291 63.395 62.100 0.008 0.000 1.147 1125 T CB -0.499 68.372 68.868 0.005 0.000 0.862 1125 T HN 0.314 nan 8.240 nan 0.000 0.446 1126 I N 0.689 121.261 120.570 0.003 0.000 2.315 1126 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 1126 I C 2.731 178.850 176.117 0.003 0.000 1.117 1126 I CA 1.214 62.515 61.300 0.002 0.000 1.404 1126 I CB -0.320 37.680 38.000 -0.001 0.000 1.071 1126 I HN 0.213 nan 8.210 nan 0.000 0.419 1127 E N 1.827 122.029 120.200 0.004 0.000 2.046 1127 E HA -0.242 4.108 4.350 -0.000 0.000 0.190 1127 E C 2.101 178.705 176.600 0.007 0.000 0.982 1127 E CA 1.504 57.907 56.400 0.005 0.000 0.800 1127 E CB -0.198 29.505 29.700 0.005 0.000 0.756 1127 E HN 0.217 nan 8.360 nan 0.000 0.449 1128 K N -0.074 120.332 120.400 0.010 0.000 2.113 1128 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 1128 K C 2.122 178.730 176.600 0.014 0.000 1.047 1128 K CA 1.600 57.894 56.287 0.013 0.000 0.928 1128 K CB -0.197 32.312 32.500 0.015 0.000 0.716 1128 K HN 0.232 nan 8.250 nan 0.000 0.446 1129 L N -0.161 121.069 121.223 0.013 0.000 2.095 1129 L HA -0.057 4.283 4.340 -0.000 0.000 0.204 1129 L C 2.587 179.462 176.870 0.009 0.000 1.080 1129 L CA 0.966 55.814 54.840 0.013 0.000 0.759 1129 L CB -0.427 41.640 42.059 0.012 0.000 0.914 1129 L HN 0.239 nan 8.230 nan 0.000 0.439 1130 A N 0.039 122.863 122.820 0.006 0.000 1.972 1130 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 1130 A C 2.323 179.910 177.584 0.005 0.000 1.169 1130 A CA 1.679 53.719 52.037 0.004 0.000 0.635 1130 A CB -0.449 18.553 19.000 0.003 0.000 0.810 1130 A HN 0.314 nan 8.150 nan 0.000 0.446 1131 K N -0.311 120.093 120.400 0.007 0.000 2.281 1131 K HA -0.125 4.195 4.320 -0.000 0.000 0.203 1131 K C 0.365 176.970 176.600 0.008 0.000 1.046 1131 K CA 1.451 57.742 56.287 0.007 0.000 0.938 1131 K CB -0.091 32.414 32.500 0.009 0.000 0.737 1131 K HN 0.477 nan 8.250 nan 0.000 0.458 1132 N N 0.566 119.272 118.700 0.009 0.000 2.200 1132 N HA 0.031 4.771 4.740 -0.000 0.000 0.224 1132 N C -0.852 174.664 175.510 0.009 0.000 1.179 1132 N CA 0.041 53.097 53.050 0.010 0.000 0.877 1132 N CB 1.109 39.604 38.487 0.014 0.000 1.072 1132 N HN -0.034 nan 8.380 nan 0.000 0.519 1133 K N 0.796 121.200 120.400 0.007 0.000 3.125 1133 K HA -0.190 4.130 4.320 -0.000 0.000 0.268 1133 K C -0.589 176.014 176.600 0.005 0.000 1.078 1133 K CA 0.722 57.012 56.287 0.005 0.000 0.775 1133 K CB -1.752 30.751 32.500 0.004 0.000 1.253 1133 K HN 0.472 nan 8.250 nan 0.000 0.486 1134 Q N 0.260 120.064 119.800 0.006 0.000 2.399 1134 Q HA 0.572 4.912 4.340 -0.000 0.000 0.276 1134 Q C -0.567 175.433 176.000 0.001 0.000 1.098 1134 Q CA -1.243 54.564 55.803 0.006 0.000 0.827 1134 Q CB 2.523 31.270 28.738 0.015 0.000 1.386 1134 Q HN 0.260 nan 8.270 nan 0.000 0.443 1135 K N -0.302 120.093 120.400 -0.007 0.000 2.464 1135 K HA 0.636 4.956 4.320 -0.000 0.000 0.253 1135 K C -2.957 173.627 176.600 -0.027 0.000 0.933 1135 K CA -2.068 54.210 56.287 -0.015 0.000 0.801 1135 K CB 1.445 33.933 32.500 -0.020 0.000 1.271 1135 K HN 0.157 nan 8.250 nan 0.000 0.430 1136 P HA -0.062 nan 4.420 nan 0.000 0.266 1136 P C -0.252 177.008 177.300 -0.067 0.000 1.186 1136 P CA -0.162 62.923 63.100 -0.025 0.000 0.767 1136 P CB 0.271 31.963 31.700 -0.013 0.000 0.820 1137 I N 1.227 121.740 120.570 -0.095 0.000 2.696 1137 I HA 0.119 4.289 4.170 -0.000 0.000 0.284 1137 I C 1.213 177.260 176.117 -0.116 0.000 1.129 1137 I CA 0.240 61.408 61.300 -0.219 0.000 1.410 1137 I CB 0.104 37.867 38.000 -0.395 0.000 1.399 1137 I HN 0.397 nan 8.210 nan 0.000 0.579 1138 T N 2.203 116.672 114.554 -0.142 0.000 2.945 1138 T HA 0.438 4.788 4.350 -0.000 0.000 0.286 1138 T C -2.062 172.602 174.700 -0.060 0.000 1.025 1138 T CA -1.900 60.161 62.100 -0.065 0.000 1.039 1138 T CB 2.047 70.883 68.868 -0.054 0.000 1.068 1138 T HN 0.254 nan 8.240 nan 0.000 0.497 1139 P HA -0.078 nan 4.420 nan 0.000 0.216 1139 P C 1.163 178.451 177.300 -0.020 0.000 1.150 1139 P CA 1.020 64.178 63.100 0.097 0.000 0.837 1139 P CB 0.123 31.925 31.700 0.171 0.000 0.786 1140 E N -0.979 119.210 120.200 -0.018 0.000 2.023 1140 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 1140 E C 2.054 178.618 176.600 -0.061 0.000 1.003 1140 E CA 1.762 58.147 56.400 -0.025 0.000 0.809 1140 E CB -1.634 28.056 29.700 -0.016 0.000 0.755 1140 E HN 0.202 nan 8.360 nan 0.000 0.449 1141 T N 0.836 115.337 114.554 -0.088 0.000 2.607 1141 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 1141 T C 1.958 176.611 174.700 -0.078 0.000 1.049 1141 T CA 1.861 63.910 62.100 -0.085 0.000 1.162 1141 T CB -0.671 68.106 68.868 -0.152 0.000 0.863 1141 T HN 0.313 nan 8.240 nan 0.000 0.424 1142 A N 1.444 124.125 122.820 -0.231 0.000 1.917 1142 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 1142 A C 2.212 179.605 177.584 -0.319 0.000 1.182 1142 A CA 1.994 53.848 52.037 -0.305 0.000 0.633 1142 A CB -0.717 17.777 19.000 -0.844 0.000 0.819 1142 A HN 0.620 nan 8.150 nan 0.000 0.448 1143 E N -0.690 119.334 120.200 -0.294 0.000 2.110 1143 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 1143 E C 2.099 178.691 176.600 -0.014 0.000 0.988 1143 E CA 1.369 57.730 56.400 -0.065 0.000 0.804 1143 E CB -0.101 29.615 29.700 0.027 0.000 0.745 1143 E HN 0.689 nan 8.360 nan 0.000 0.458 1144 K N 0.800 121.188 120.400 -0.020 0.000 1.985 1144 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 1144 K C 2.237 178.840 176.600 0.005 0.000 1.047 1144 K CA 0.948 57.234 56.287 -0.000 0.000 0.932 1144 K CB -0.178 32.324 32.500 0.003 0.000 0.716 1144 K HN 0.034 nan 8.250 nan 0.000 0.439 1145 L N 1.271 122.501 121.223 0.012 0.000 2.129 1145 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 1145 L C 2.158 179.036 176.870 0.013 0.000 1.087 1145 L CA 2.084 56.917 54.840 -0.013 0.000 0.757 1145 L CB -0.683 41.338 42.059 -0.065 0.000 0.896 1145 L HN 0.301 nan 8.230 nan 0.000 0.434 1146 A N -0.338 122.504 122.820 0.036 0.000 1.877 1146 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 1146 A C 2.392 179.990 177.584 0.023 0.000 1.186 1146 A CA 1.859 53.936 52.037 0.067 0.000 0.620 1146 A CB -0.501 18.566 19.000 0.112 0.000 0.822 1146 A HN 0.528 nan 8.150 nan 0.000 0.443 1147 R N -0.275 120.234 120.500 0.015 0.000 2.075 1147 R HA -0.082 4.258 4.340 -0.000 0.000 0.232 1147 R C 1.650 177.953 176.300 0.005 0.000 1.126 1147 R CA 1.268 57.368 56.100 0.001 0.000 0.963 1147 R CB -0.528 29.774 30.300 0.003 0.000 0.858 1147 R HN 0.523 nan 8.270 nan 0.000 0.435 1148 D N 1.410 121.816 120.400 0.009 0.000 2.087 1148 D HA -0.162 4.478 4.640 -0.000 0.000 0.192 1148 D C 1.856 178.172 176.300 0.025 0.000 0.993 1148 D CA 1.273 55.278 54.000 0.008 0.000 0.828 1148 D CB -0.219 40.578 40.800 -0.005 0.000 0.968 1148 D HN 0.184 nan 8.370 nan 0.000 0.448 1149 L N 0.400 121.654 121.223 0.051 0.000 2.622 1149 L HA -0.042 4.298 4.340 -0.000 0.000 0.233 1149 L C 0.214 177.193 176.870 0.182 0.000 1.156 1149 L CA 0.264 55.177 54.840 0.122 0.000 0.866 1149 L CB -0.258 41.908 42.059 0.178 0.000 0.980 1149 L HN -0.009 nan 8.230 nan 0.000 0.448 1150 K N -1.254 119.185 120.400 0.066 0.000 3.167 1150 K HA -0.146 4.174 4.320 -0.000 0.000 0.272 1150 K C 0.214 176.692 176.600 -0.203 0.000 1.137 1150 K CA 0.883 57.168 56.287 -0.003 0.000 0.800 1150 K CB -2.165 30.370 32.500 0.058 0.000 1.253 1150 K HN 0.340 nan 8.250 nan 0.000 0.497 1151 A N 0.202 122.831 122.820 -0.319 0.000 2.340 1151 A HA 0.462 4.782 4.320 -0.000 0.000 0.268 1151 A C 1.795 179.116 177.584 -0.438 0.000 1.100 1151 A CA -0.075 51.474 52.037 -0.814 0.000 0.803 1151 A CB 0.687 19.436 19.000 -0.418 0.000 1.043 1151 A HN -0.017 nan 8.150 nan 0.000 0.488 1152 V N 1.796 121.434 119.914 -0.461 0.000 2.214 1152 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 1152 V C 1.163 177.176 176.094 -0.135 0.000 1.051 1152 V CA 2.330 64.493 62.300 -0.229 0.000 1.003 1152 V CB -0.903 30.809 31.823 -0.185 0.000 0.635 1152 V HN 0.920 nan 8.190 nan 0.000 0.447 1153 K N -2.382 117.954 120.400 -0.106 0.000 2.250 1153 K HA 0.515 4.835 4.320 -0.000 0.000 0.261 1153 K C -1.695 174.941 176.600 0.060 0.000 1.047 1153 K CA -0.766 55.507 56.287 -0.023 0.000 0.884 1153 K CB 1.997 34.472 32.500 -0.042 0.000 1.476 1153 K HN 0.090 nan 8.250 nan 0.000 0.445 1154 Y N 1.104 121.395 120.300 -0.015 0.000 2.391 1154 Y HA 0.527 5.077 4.550 -0.000 0.000 0.341 1154 Y C -1.357 174.546 175.900 0.005 0.000 0.965 1154 Y CA -0.887 57.232 58.100 0.031 0.000 1.067 1154 Y CB 1.400 39.908 38.460 0.079 0.000 1.199 1154 Y HN 0.370 nan 8.280 nan 0.000 0.450 1155 V N 3.214 122.605 119.914 -0.871 0.000 3.007 1155 V HA 0.840 4.960 4.120 -0.000 0.000 0.311 1155 V C -1.201 174.348 176.094 -0.909 0.000 1.120 1155 V CA -0.888 60.959 62.300 -0.756 0.000 0.980 1155 V CB 1.797 33.389 31.823 -0.386 0.000 1.033 1155 V HN 0.921 nan 8.190 nan 0.000 0.429 1156 E N 2.100 121.940 120.200 -0.601 0.000 2.433 1156 E HA 0.898 5.247 4.350 -0.000 0.000 0.273 1156 E C -0.811 175.649 176.600 -0.233 0.000 0.950 1156 E CA -0.589 55.582 56.400 -0.381 0.000 0.796 1156 E CB 2.402 31.969 29.700 -0.222 0.000 1.330 1156 E HN 1.674 nan 8.360 nan 0.000 0.455 1157 C N -0.931 118.264 119.300 -0.175 0.000 3.211 1157 C HA 0.824 5.284 4.460 -0.000 0.000 0.350 1157 C C -1.248 173.687 174.990 -0.093 0.000 1.413 1157 C CA -0.525 58.422 59.018 -0.117 0.000 1.203 1157 C CB 1.029 28.706 27.740 -0.105 0.000 1.506 1157 C HN 0.742 nan 8.230 nan 0.000 0.448 1158 S N -0.315 115.346 115.700 -0.065 0.000 2.647 1158 S HA 0.677 5.147 4.470 -0.000 0.000 0.300 1158 S C 0.598 175.173 174.600 -0.042 0.000 1.129 1158 S CA 0.345 58.503 58.200 -0.070 0.000 1.029 1158 S CB 1.481 64.626 63.200 -0.092 0.000 1.007 1158 S HN 2.158 nan 8.310 nan 0.000 0.484 1159 A N 5.384 128.198 122.820 -0.011 0.000 2.014 1159 A HA 0.095 4.415 4.320 -0.000 0.000 0.218 1159 A C 1.925 179.515 177.584 0.010 0.000 1.163 1159 A CA 0.664 52.759 52.037 0.096 0.000 0.652 1159 A CB -0.475 18.651 19.000 0.210 0.000 0.808 1159 A HN 0.794 nan 8.150 nan 0.000 0.449 1160 L N 0.561 121.564 121.223 -0.367 0.000 2.005 1160 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 1160 L C 2.411 179.035 176.870 -0.411 0.000 1.072 1160 L CA 2.891 57.178 54.840 -0.922 0.000 0.744 1160 L CB -1.226 40.335 42.059 -0.829 0.000 0.895 1160 L HN 0.566 nan 8.230 nan 0.000 0.433 1161 T N -3.939 110.482 114.554 -0.222 0.000 3.086 1161 T HA 0.054 4.404 4.350 -0.000 0.000 0.250 1161 T C 1.034 175.706 174.700 -0.048 0.000 1.074 1161 T CA 0.234 62.264 62.100 -0.116 0.000 0.988 1161 T CB 0.102 68.913 68.868 -0.094 0.000 0.988 1161 T HN 0.520 nan 8.240 nan 0.000 0.530 1162 Q N -0.082 119.703 119.800 -0.025 0.000 2.406 1162 Q HA -0.192 4.148 4.340 -0.000 0.000 0.236 1162 Q C 0.053 176.066 176.000 0.022 0.000 0.799 1162 Q CA 0.905 56.727 55.803 0.031 0.000 1.286 1162 Q CB -1.411 27.360 28.738 0.055 0.000 1.615 1162 Q HN 0.710 nan 8.270 nan 0.000 0.621 1163 K N 0.502 120.895 120.400 -0.011 0.000 2.412 1163 K HA 0.176 4.496 4.320 -0.000 0.000 0.284 1163 K C 1.175 177.762 176.600 -0.020 0.000 1.046 1163 K CA 1.182 57.460 56.287 -0.015 0.000 0.999 1163 K CB 0.041 32.522 32.500 -0.032 0.000 0.941 1163 K HN 0.358 nan 8.250 nan 0.000 0.474 1164 G N 3.643 112.436 108.800 -0.011 0.000 2.189 1164 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.267 1164 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.267 1164 G C 0.515 175.402 174.900 -0.022 0.000 0.975 1164 G CA 0.397 45.478 45.100 -0.032 0.000 0.644 1164 G HN 0.632 nan 8.290 nan 0.000 0.537 1165 L N 0.703 121.947 121.223 0.035 0.000 1.976 1165 L HA 0.097 4.437 4.340 -0.000 0.000 0.209 1165 L C 2.753 179.732 176.870 0.181 0.000 1.071 1165 L CA 2.954 57.857 54.840 0.105 0.000 0.746 1165 L CB -0.425 41.743 42.059 0.182 0.000 0.890 1165 L HN 0.187 nan 8.230 nan 0.000 0.432 1166 K N -0.141 120.397 120.400 0.230 0.000 2.063 1166 K HA -0.229 4.091 4.320 -0.000 0.000 0.208 1166 K C 2.017 178.718 176.600 0.167 0.000 1.048 1166 K CA 1.603 58.070 56.287 0.300 0.000 0.928 1166 K CB -1.218 31.428 32.500 0.243 0.000 0.713 1166 K HN 0.574 nan 8.250 nan 0.000 0.442 1167 N N 1.287 120.027 118.700 0.066 0.000 2.149 1167 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 1167 N C 1.742 177.201 175.510 -0.084 0.000 1.019 1167 N CA 1.173 54.221 53.050 -0.003 0.000 0.857 1167 N CB 0.128 38.596 38.487 -0.032 0.000 0.997 1167 N HN -0.102 nan 8.380 nan 0.000 0.426 1168 V N 0.762 120.573 119.914 -0.172 0.000 2.282 1168 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 1168 V C 1.815 177.602 176.094 -0.511 0.000 1.057 1168 V CA 1.804 63.866 62.300 -0.397 0.000 1.032 1168 V CB -0.781 30.684 31.823 -0.596 0.000 0.645 1168 V HN 0.253 nan 8.190 nan 0.000 0.447 1169 F N -0.246 119.542 119.950 -0.271 0.000 2.456 1169 F HA -0.022 4.505 4.527 -0.000 0.000 0.298 1169 F C 2.206 177.939 175.800 -0.111 0.000 1.104 1169 F CA 0.916 58.765 58.000 -0.253 0.000 1.435 1169 F CB -0.457 38.237 39.000 -0.510 0.000 1.078 1169 F HN 0.175 nan 8.300 nan 0.000 0.546 1170 D N 0.386 120.823 120.400 0.062 0.000 2.097 1170 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 1170 D C 2.092 178.376 176.300 -0.025 0.000 0.984 1170 D CA 1.097 55.125 54.000 0.046 0.000 0.826 1170 D CB -0.242 40.586 40.800 0.047 0.000 0.973 1170 D HN 0.208 nan 8.370 nan 0.000 0.460 1171 E N 0.742 120.901 120.200 -0.069 0.000 2.204 1171 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 1171 E C 1.973 178.513 176.600 -0.100 0.000 0.990 1171 E CA 0.554 56.899 56.400 -0.092 0.000 0.821 1171 E CB -0.137 29.491 29.700 -0.120 0.000 0.750 1171 E HN 0.213 nan 8.360 nan 0.000 0.477 1172 A N 0.852 123.605 122.820 -0.111 0.000 1.929 1172 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 1172 A C 2.276 179.826 177.584 -0.056 0.000 1.176 1172 A CA 0.629 52.613 52.037 -0.088 0.000 0.628 1172 A CB -0.394 18.543 19.000 -0.105 0.000 0.816 1172 A HN 0.138 nan 8.150 nan 0.000 0.444 1173 I N -0.344 120.197 120.570 -0.048 0.000 2.202 1173 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 1173 I C 2.255 178.272 176.117 -0.168 0.000 1.091 1173 I CA 1.045 62.288 61.300 -0.096 0.000 1.368 1173 I CB -0.323 37.620 38.000 -0.096 0.000 1.058 1173 I HN 0.260 nan 8.210 nan 0.000 0.410 1174 L N 0.560 121.698 121.223 -0.141 0.000 2.131 1174 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 1174 L C 2.773 179.580 176.870 -0.104 0.000 1.092 1174 L CA 1.090 55.848 54.840 -0.136 0.000 0.759 1174 L CB -0.661 41.342 42.059 -0.094 0.000 0.903 1174 L HN 0.239 nan 8.230 nan 0.000 0.435 1175 A N -0.066 122.702 122.820 -0.087 0.000 1.968 1175 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 1175 A C 2.457 180.007 177.584 -0.057 0.000 1.169 1175 A CA 1.443 53.438 52.037 -0.070 0.000 0.638 1175 A CB -0.447 18.514 19.000 -0.066 0.000 0.812 1175 A HN 0.374 nan 8.150 nan 0.000 0.446 1176 A N -1.143 121.638 122.820 -0.064 0.000 2.067 1176 A HA 0.393 4.713 4.320 -0.000 0.000 0.217 1176 A C 0.946 178.495 177.584 -0.059 0.000 1.156 1176 A CA 0.355 52.362 52.037 -0.049 0.000 0.683 1176 A CB -0.289 18.683 19.000 -0.046 0.000 0.808 1176 A HN 0.359 nan 8.150 nan 0.000 0.455 1177 L N 0.000 121.165 121.223 -0.096 0.000 2.949 1177 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1177 L CA 0.000 54.784 54.840 -0.093 0.000 0.813 1177 L CB 0.000 41.957 42.059 -0.169 0.000 0.961 1177 L HN 0.000 nan 8.230 nan 0.000 0.502