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 1rxs_1_J DATA FIRST_RESID 1004 DATA SEQUENCE SDVFHLGLTK NDLQGATLAI VPGDPDRVEK IAALMDKPVK LASHREFTTW DATA SEQUENCE RAELDGKPVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APLEFPAVAD FECTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRHFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPXXXX MKQTESHAVK IVVEAARRLL 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 1004 S HA 0.000 nan 4.470 nan 0.000 0.327 1004 S C 0.000 174.594 174.600 -0.010 0.000 1.055 1004 S CA 0.000 58.187 58.200 -0.022 0.000 1.107 1004 S CB 0.000 63.163 63.200 -0.061 0.000 0.593 1005 D N 1.658 122.057 120.400 -0.001 0.000 2.333 1005 D HA 0.147 4.787 4.640 0.000 0.000 0.208 1005 D C 0.947 177.261 176.300 0.022 0.000 0.984 1005 D CA 1.239 55.245 54.000 0.011 0.000 0.873 1005 D CB 0.541 41.348 40.800 0.012 0.000 0.935 1005 D HN 0.581 nan 8.370 nan 0.000 0.521 1006 V N -2.108 117.815 119.914 0.015 0.000 2.769 1006 V HA 0.376 4.496 4.120 0.000 0.000 0.312 1006 V C 0.805 176.912 176.094 0.021 0.000 1.061 1006 V CA -1.018 61.303 62.300 0.036 0.000 0.931 1006 V CB 1.815 33.654 31.823 0.026 0.000 1.010 1006 V HN -0.161 nan 8.190 nan 0.000 0.433 1007 F N 1.792 121.675 119.950 -0.112 0.000 2.186 1007 F HA 0.054 4.581 4.527 0.000 0.000 0.299 1007 F C 1.855 177.434 175.800 -0.369 0.000 1.090 1007 F CA 2.404 60.256 58.000 -0.248 0.000 1.307 1007 F CB -0.108 38.706 39.000 -0.310 0.000 1.019 1007 F HN 0.842 nan 8.300 nan 0.000 0.489 1008 H N -1.241 117.697 119.070 -0.219 0.000 2.460 1008 H HA 0.225 4.781 4.556 0.000 0.000 0.297 1008 H C 2.073 177.271 175.328 -0.217 0.000 1.023 1008 H CA 1.036 56.913 56.048 -0.286 0.000 1.321 1008 H CB -0.176 29.452 29.762 -0.223 0.000 1.455 1008 H HN 0.121 nan 8.280 nan 0.000 0.539 1009 L N -0.076 121.092 121.223 -0.090 0.000 2.376 1009 L HA 0.109 4.449 4.340 0.000 0.000 0.219 1009 L C 1.000 177.926 176.870 0.093 0.000 1.133 1009 L CA 0.615 55.451 54.840 -0.006 0.000 0.816 1009 L CB -0.423 41.608 42.059 -0.046 0.000 0.933 1009 L HN 0.515 nan 8.230 nan 0.000 0.449 1010 G N 1.520 110.273 108.800 -0.078 0.000 2.338 1010 G HA2 -0.269 3.691 3.960 0.000 0.000 0.296 1010 G HA3 -0.269 3.691 3.960 0.000 0.000 0.296 1010 G C -0.240 174.685 174.900 0.042 0.000 1.040 1010 G CA 0.183 45.224 45.100 -0.099 0.000 1.004 1010 G HN 0.266 nan 8.290 nan 0.000 0.509 1011 L N -0.507 120.725 121.223 0.016 0.000 2.309 1011 L HA 0.892 5.232 4.340 0.000 0.000 0.261 1011 L C 0.658 177.532 176.870 0.008 0.000 1.021 1011 L CA -0.640 54.213 54.840 0.022 0.000 0.823 1011 L CB 2.470 44.547 42.059 0.029 0.000 1.366 1011 L HN 0.376 nan 8.230 nan 0.000 0.423 1012 T N -3.338 111.220 114.554 0.007 0.000 2.932 1012 T HA 0.319 4.669 4.350 0.000 0.000 0.289 1012 T C 0.533 175.236 174.700 0.005 0.000 1.039 1012 T CA -0.803 61.300 62.100 0.004 0.000 1.024 1012 T CB 2.136 71.004 68.868 0.000 0.000 1.090 1012 T HN 0.612 nan 8.240 nan 0.000 0.496 1013 K N 1.024 121.428 120.400 0.006 0.000 2.113 1013 K HA -0.183 4.137 4.320 0.000 0.000 0.208 1013 K C 2.140 178.741 176.600 0.001 0.000 1.047 1013 K CA 1.651 57.941 56.287 0.005 0.000 0.928 1013 K CB -0.244 32.260 32.500 0.006 0.000 0.716 1013 K HN 0.624 nan 8.250 nan 0.000 0.446 1014 N N 0.750 119.449 118.700 -0.001 0.000 2.104 1014 N HA -0.173 4.567 4.740 0.000 0.000 0.190 1014 N C 1.011 176.518 175.510 -0.006 0.000 1.024 1014 N CA 1.528 54.576 53.050 -0.003 0.000 0.853 1014 N CB -0.179 38.305 38.487 -0.004 0.000 1.008 1014 N HN 0.294 nan 8.380 nan 0.000 0.424 1015 D N 0.662 121.059 120.400 -0.006 0.000 2.182 1015 D HA -0.136 4.504 4.640 0.000 0.000 0.201 1015 D C 1.786 178.082 176.300 -0.006 0.000 0.986 1015 D CA 0.621 54.615 54.000 -0.009 0.000 0.847 1015 D CB -0.016 40.779 40.800 -0.008 0.000 0.942 1015 D HN 0.223 nan 8.370 nan 0.000 0.467 1016 L N 0.481 121.703 121.223 -0.002 0.000 2.341 1016 L HA 0.006 4.346 4.340 0.000 0.000 0.214 1016 L C 0.726 177.593 176.870 -0.005 0.000 1.115 1016 L CA 0.590 55.428 54.840 -0.002 0.000 0.820 1016 L CB -0.288 41.768 42.059 -0.004 0.000 0.944 1016 L HN 0.024 nan 8.230 nan 0.000 0.452 1017 Q N -0.350 119.447 119.800 -0.005 0.000 2.434 1017 Q HA -0.288 4.052 4.340 0.000 0.000 0.299 1017 Q C 1.104 177.100 176.000 -0.007 0.000 1.286 1017 Q CA 0.486 56.285 55.803 -0.006 0.000 0.872 1017 Q CB -2.527 26.208 28.738 -0.004 0.000 1.193 1017 Q HN 0.608 nan 8.270 nan 0.000 0.466 1018 G N -1.546 107.249 108.800 -0.009 0.000 2.159 1018 G HA2 -0.253 3.707 3.960 0.000 0.000 0.256 1018 G HA3 -0.253 3.707 3.960 0.000 0.000 0.256 1018 G C 0.356 175.245 174.900 -0.019 0.000 0.977 1018 G CA 0.314 45.407 45.100 -0.012 0.000 0.652 1018 G HN 1.264 nan 8.290 nan 0.000 0.531 1019 A N 0.066 122.873 122.820 -0.022 0.000 2.561 1019 A HA 0.572 4.892 4.320 0.000 0.000 0.234 1019 A C 1.492 179.044 177.584 -0.054 0.000 1.055 1019 A CA 1.890 53.906 52.037 -0.034 0.000 0.756 1019 A CB 0.216 19.198 19.000 -0.031 0.000 0.986 1019 A HN 1.721 nan 8.150 nan 0.000 0.505 1020 T N -0.166 114.344 114.554 -0.073 0.000 3.058 1020 T HA 0.411 4.761 4.350 0.000 0.000 0.278 1020 T C 0.027 174.625 174.700 -0.170 0.000 0.974 1020 T CA 0.075 62.113 62.100 -0.103 0.000 0.893 1020 T CB -0.489 68.338 68.868 -0.069 0.000 1.138 1020 T HN 0.586 nan 8.240 nan 0.000 0.529 1021 L N 1.599 122.727 121.223 -0.159 0.000 2.386 1021 L HA 0.887 5.227 4.340 0.000 0.000 0.271 1021 L C -1.474 175.281 176.870 -0.192 0.000 0.993 1021 L CA -0.973 53.750 54.840 -0.196 0.000 0.819 1021 L CB 1.903 43.894 42.059 -0.113 0.000 1.294 1021 L HN 0.221 nan 8.230 nan 0.000 0.414 1022 A N 5.563 128.228 122.820 -0.257 0.000 2.374 1022 A HA 0.687 5.007 4.320 0.000 0.000 0.305 1022 A C -1.033 176.529 177.584 -0.036 0.000 1.053 1022 A CA -0.522 51.432 52.037 -0.138 0.000 0.726 1022 A CB 1.118 20.023 19.000 -0.159 0.000 1.229 1022 A HN 0.667 nan 8.150 nan 0.000 0.431 1023 I N 2.647 123.225 120.570 0.012 0.000 2.325 1023 I HA 0.333 4.503 4.170 0.000 0.000 0.291 1023 I C -0.089 176.074 176.117 0.078 0.000 1.019 1023 I CA -0.523 60.801 61.300 0.041 0.000 1.302 1023 I CB 1.637 39.648 38.000 0.019 0.000 1.401 1023 I HN 0.457 nan 8.210 nan 0.000 0.485 1024 V N 6.029 126.005 119.914 0.103 0.000 2.250 1024 V HA 0.500 4.620 4.120 0.000 0.000 0.268 1024 V C -2.460 173.681 176.094 0.078 0.000 1.043 1024 V CA -1.904 60.466 62.300 0.118 0.000 0.814 1024 V CB 0.239 32.168 31.823 0.176 0.000 1.072 1024 V HN 0.459 nan 8.190 nan 0.000 0.451 1025 P HA 0.316 nan 4.420 nan 0.000 0.276 1025 P C 0.944 178.266 177.300 0.038 0.000 1.261 1025 P CA 0.231 63.352 63.100 0.035 0.000 0.800 1025 P CB 1.748 33.457 31.700 0.016 0.000 1.066 1026 G N -0.564 108.247 108.800 0.019 0.000 2.459 1026 G HA2 -0.057 3.903 3.960 0.000 0.000 0.213 1026 G HA3 -0.057 3.903 3.960 0.000 0.000 0.213 1026 G C 0.222 175.118 174.900 -0.008 0.000 1.155 1026 G CA 0.429 45.534 45.100 0.010 0.000 0.811 1026 G HN 0.513 nan 8.290 nan 0.000 0.534 1027 D N 0.350 120.742 120.400 -0.013 0.000 2.274 1027 D HA 0.279 4.919 4.640 0.000 0.000 0.239 1027 D C -1.179 175.111 176.300 -0.017 0.000 1.104 1027 D CA -2.542 51.441 54.000 -0.027 0.000 0.840 1027 D CB 2.171 42.952 40.800 -0.032 0.000 1.100 1027 D HN -0.049 nan 8.370 nan 0.000 0.477 1028 P HA -0.145 nan 4.420 nan 0.000 0.217 1028 P C 0.526 177.828 177.300 0.002 0.000 1.148 1028 P CA 0.975 64.080 63.100 0.007 0.000 0.828 1028 P CB 0.418 32.114 31.700 -0.006 0.000 0.783 1029 D N -1.062 119.327 120.400 -0.018 0.000 2.312 1029 D HA -0.086 4.554 4.640 0.000 0.000 0.211 1029 D C 1.947 178.212 176.300 -0.058 0.000 0.964 1029 D CA 0.562 54.545 54.000 -0.029 0.000 0.877 1029 D CB -0.177 40.606 40.800 -0.029 0.000 0.924 1029 D HN 0.203 nan 8.370 nan 0.000 0.515 1030 R N 0.617 121.083 120.500 -0.057 0.000 2.280 1030 R HA 0.043 4.383 4.340 0.000 0.000 0.195 1030 R C 1.887 178.119 176.300 -0.113 0.000 0.935 1030 R CA 0.030 56.085 56.100 -0.075 0.000 1.033 1030 R CB 0.343 30.615 30.300 -0.047 0.000 0.964 1030 R HN 0.002 nan 8.270 nan 0.000 0.489 1031 V N 0.971 120.817 119.914 -0.113 0.000 2.270 1031 V HA -0.249 3.872 4.120 0.000 0.000 0.245 1031 V C 2.315 178.169 176.094 -0.400 0.000 1.043 1031 V CA 2.111 64.323 62.300 -0.148 0.000 1.014 1031 V CB -0.435 31.378 31.823 -0.016 0.000 0.645 1031 V HN 0.412 nan 8.190 nan 0.000 0.447 1032 E N 0.274 120.092 120.200 -0.636 0.000 2.085 1032 E HA -0.304 4.046 4.350 0.000 0.000 0.194 1032 E C 2.216 178.434 176.600 -0.636 0.000 0.994 1032 E CA 1.676 57.402 56.400 -1.124 0.000 0.801 1032 E CB -0.077 29.075 29.700 -0.913 0.000 0.743 1032 E HN 0.566 nan 8.360 nan 0.000 0.453 1033 K N 0.207 120.394 120.400 -0.356 0.000 2.063 1033 K HA -0.155 4.165 4.320 0.000 0.000 0.208 1033 K C 2.149 178.632 176.600 -0.196 0.000 1.048 1033 K CA 1.795 57.948 56.287 -0.224 0.000 0.928 1033 K CB -0.155 32.260 32.500 -0.141 0.000 0.713 1033 K HN 0.226 nan 8.250 nan 0.000 0.442 1034 I N 0.509 120.967 120.570 -0.186 0.000 2.163 1034 I HA -0.261 3.909 4.170 0.000 0.000 0.240 1034 I C 2.424 178.462 176.117 -0.130 0.000 1.081 1034 I CA 1.104 62.329 61.300 -0.125 0.000 1.353 1034 I CB -0.377 37.571 38.000 -0.088 0.000 1.054 1034 I HN 0.162 nan 8.210 nan 0.000 0.407 1035 A N 0.810 123.514 122.820 -0.194 0.000 1.948 1035 A HA -0.232 4.088 4.320 0.000 0.000 0.220 1035 A C 2.475 179.992 177.584 -0.112 0.000 1.177 1035 A CA 1.987 53.946 52.037 -0.131 0.000 0.636 1035 A CB -0.896 18.005 19.000 -0.164 0.000 0.815 1035 A HN 0.461 nan 8.150 nan 0.000 0.449 1036 A N -1.147 121.557 122.820 -0.194 0.000 2.125 1036 A HA 0.067 4.387 4.320 0.000 0.000 0.219 1036 A C 1.725 179.269 177.584 -0.067 0.000 1.156 1036 A CA 1.332 53.294 52.037 -0.127 0.000 0.671 1036 A CB -0.346 18.555 19.000 -0.166 0.000 0.794 1036 A HN 0.376 nan 8.150 nan 0.000 0.459 1037 L N -1.134 120.050 121.223 -0.066 0.000 2.552 1037 L HA 0.190 4.530 4.340 0.000 0.000 0.227 1037 L C 1.117 177.972 176.870 -0.024 0.000 1.146 1037 L CA 0.975 55.790 54.840 -0.041 0.000 0.858 1037 L CB -0.934 41.100 42.059 -0.042 0.000 0.969 1037 L HN 0.421 nan 8.230 nan 0.000 0.451 1038 M N -1.834 117.756 119.600 -0.016 0.000 2.872 1038 M HA 0.290 4.770 4.480 0.000 0.000 0.290 1038 M C -0.419 175.890 176.300 0.014 0.000 1.180 1038 M CA -0.871 54.428 55.300 -0.000 0.000 0.839 1038 M CB 1.114 33.718 32.600 0.005 0.000 1.667 1038 M HN -0.193 nan 8.290 nan 0.000 0.512 1039 D N 0.905 121.317 120.400 0.020 0.000 2.253 1039 D HA 0.210 4.850 4.640 0.000 0.000 0.249 1039 D C -0.552 175.774 176.300 0.045 0.000 1.049 1039 D CA -0.148 53.868 54.000 0.027 0.000 0.929 1039 D CB 0.892 41.702 40.800 0.018 0.000 1.176 1039 D HN 0.452 nan 8.370 nan 0.000 0.437 1040 K N -0.344 120.086 120.400 0.050 0.000 3.278 1040 K HA -0.134 4.186 4.320 0.000 0.000 0.270 1040 K C -2.341 174.319 176.600 0.101 0.000 0.955 1040 K CA 0.088 56.412 56.287 0.062 0.000 0.723 1040 K CB -1.344 31.180 32.500 0.040 0.000 1.382 1040 K HN 0.357 nan 8.250 nan 0.000 0.461 1041 P HA 0.129 nan 4.420 nan 0.000 0.271 1041 P C -0.373 177.133 177.300 0.344 0.000 1.220 1041 P CA -0.082 63.203 63.100 0.308 0.000 0.768 1041 P CB 1.286 33.174 31.700 0.315 0.000 0.848 1042 V N 4.029 124.081 119.914 0.231 0.000 2.686 1042 V HA 0.270 4.390 4.120 0.000 0.000 0.306 1042 V C 0.373 176.062 176.094 -0.675 0.000 1.065 1042 V CA -0.949 61.244 62.300 -0.178 0.000 0.894 1042 V CB 2.101 33.859 31.823 -0.109 0.000 1.004 1042 V HN 0.481 nan 8.190 nan 0.000 0.424 1043 K N 3.635 123.171 120.400 -1.439 0.000 2.379 1043 K HA 0.372 4.692 4.320 0.000 0.000 0.284 1043 K C 0.314 176.514 176.600 -0.666 0.000 1.044 1043 K CA -0.102 55.208 56.287 -1.629 0.000 0.974 1043 K CB 0.691 32.337 32.500 -1.423 0.000 0.962 1043 K HN 0.661 nan 8.250 nan 0.000 0.474 1044 L N 2.721 123.682 121.223 -0.437 0.000 2.262 1044 L HA 0.308 4.648 4.340 0.000 0.000 0.197 1044 L C 0.512 177.298 176.870 -0.140 0.000 1.073 1044 L CA 0.336 55.058 54.840 -0.197 0.000 0.800 1044 L CB 0.201 42.209 42.059 -0.084 0.000 0.987 1044 L HN 0.807 nan 8.230 nan 0.000 0.470 1045 A N -1.298 121.451 122.820 -0.117 0.000 2.601 1045 A HA 0.605 4.925 4.320 0.000 0.000 0.291 1045 A C -1.174 176.347 177.584 -0.105 0.000 1.075 1045 A CA -0.283 51.703 52.037 -0.084 0.000 0.671 1045 A CB 1.727 20.769 19.000 0.070 0.000 1.277 1045 A HN -0.137 nan 8.150 nan 0.000 0.417 1046 S N 0.700 116.213 115.700 -0.311 0.000 2.680 1046 S HA 0.634 5.104 4.470 0.000 0.000 0.262 1046 S C -1.715 172.565 174.600 -0.534 0.000 1.138 1046 S CA -0.472 57.580 58.200 -0.246 0.000 1.072 1046 S CB 0.239 63.352 63.200 -0.146 0.000 1.097 1046 S HN 0.725 nan 8.310 nan 0.000 0.468 1047 H N 3.339 122.471 119.070 0.105 0.000 2.856 1047 H HA 0.517 5.073 4.556 0.000 0.000 0.355 1047 H C 0.508 175.908 175.328 0.120 0.000 1.079 1047 H CA -0.567 55.541 56.048 0.100 0.000 1.240 1047 H CB 1.535 31.356 29.762 0.099 0.000 1.701 1047 H HN 0.736 nan 8.280 nan 0.000 0.527 1048 R N 0.468 121.052 120.500 0.139 0.000 3.750 1048 R HA -0.240 4.100 4.340 0.000 0.000 0.495 1048 R C 1.214 177.421 176.300 -0.155 0.000 0.241 1048 R CA 1.889 57.983 56.100 -0.009 0.000 1.551 1048 R CB -0.723 29.578 30.300 0.001 0.000 0.956 1048 R HN 0.783 nan 8.270 nan 0.000 0.584 1049 E N 1.937 121.862 120.200 -0.458 0.000 2.502 1049 E HA -0.028 4.322 4.350 0.000 0.000 0.194 1049 E C -0.086 176.268 176.600 -0.410 0.000 1.062 1049 E CA 0.804 56.922 56.400 -0.470 0.000 0.867 1049 E CB 0.031 29.403 29.700 -0.547 0.000 0.888 1049 E HN 0.369 nan 8.360 nan 0.000 0.510 1050 F N 1.685 121.671 119.950 0.060 0.000 2.303 1050 F HA 0.302 4.829 4.527 -0.000 0.000 0.368 1050 F C 0.219 176.066 175.800 0.078 0.000 1.105 1050 F CA -0.694 57.352 58.000 0.076 0.000 1.153 1050 F CB 1.476 40.536 39.000 0.099 0.000 1.362 1050 F HN -0.320 nan 8.300 nan 0.000 0.511 1051 T N 1.875 116.560 114.554 0.218 0.000 2.794 1051 T HA 0.438 4.788 4.350 0.000 0.000 0.280 1051 T C -0.099 174.746 174.700 0.242 0.000 0.987 1051 T CA -0.493 61.724 62.100 0.194 0.000 0.993 1051 T CB 1.262 70.236 68.868 0.176 0.000 0.939 1051 T HN 0.381 nan 8.240 nan 0.000 0.449 1052 T N 3.520 118.207 114.554 0.222 0.000 2.812 1052 T HA 0.478 4.828 4.350 0.000 0.000 0.282 1052 T C -1.116 173.724 174.700 0.233 0.000 0.990 1052 T CA -0.611 61.618 62.100 0.215 0.000 0.960 1052 T CB 0.652 69.599 68.868 0.133 0.000 0.948 1052 T HN 0.447 nan 8.240 nan 0.000 0.438 1053 W N 1.869 123.183 121.300 0.024 0.000 2.706 1053 W HA 0.660 5.320 4.660 -0.000 0.000 0.346 1053 W C 0.254 176.778 176.519 0.009 0.000 1.071 1053 W CA -1.113 56.240 57.345 0.013 0.000 1.206 1053 W CB 1.246 30.711 29.460 0.008 0.000 1.413 1053 W HN 0.376 nan 8.180 nan 0.000 0.542 1054 R N 1.594 122.215 120.500 0.201 0.000 2.589 1054 R HA 0.866 5.206 4.340 0.000 0.000 0.293 1054 R C -0.585 175.808 176.300 0.154 0.000 0.963 1054 R CA -0.287 55.889 56.100 0.126 0.000 0.905 1054 R CB 1.424 31.753 30.300 0.049 0.000 1.144 1054 R HN 0.663 nan 8.270 nan 0.000 0.459 1055 A N 2.584 125.468 122.820 0.108 0.000 2.566 1055 A HA 0.542 4.862 4.320 0.000 0.000 0.291 1055 A C -1.515 176.099 177.584 0.049 0.000 1.278 1055 A CA -0.643 51.449 52.037 0.092 0.000 0.711 1055 A CB 1.708 20.763 19.000 0.092 0.000 1.332 1055 A HN 0.698 nan 8.150 nan 0.000 0.478 1056 E N -0.794 119.428 120.200 0.037 0.000 2.292 1056 E HA 0.568 4.918 4.350 0.000 0.000 0.272 1056 E C -2.324 174.283 176.600 0.012 0.000 0.881 1056 E CA -0.575 55.837 56.400 0.020 0.000 0.754 1056 E CB 2.216 31.927 29.700 0.019 0.000 1.201 1056 E HN 0.415 nan 8.360 nan 0.000 0.425 1057 L N 3.940 125.165 121.223 0.003 0.000 2.439 1057 L HA 0.320 4.660 4.340 0.000 0.000 0.270 1057 L C -1.237 175.630 176.870 -0.005 0.000 0.972 1057 L CA -0.171 54.667 54.840 -0.003 0.000 0.836 1057 L CB 1.522 43.576 42.059 -0.007 0.000 1.255 1057 L HN 0.595 nan 8.230 nan 0.000 0.404 1058 D N 4.497 124.894 120.400 -0.005 0.000 2.704 1058 D HA -0.207 4.433 4.640 0.000 0.000 0.232 1058 D C 1.189 177.487 176.300 -0.004 0.000 1.183 1058 D CA 1.477 55.473 54.000 -0.005 0.000 0.647 1058 D CB -0.893 39.903 40.800 -0.008 0.000 1.013 1058 D HN 1.171 nan 8.370 nan 0.000 0.415 1059 G N -0.568 108.231 108.800 -0.001 0.000 2.166 1059 G HA2 -0.366 3.594 3.960 0.000 0.000 0.260 1059 G HA3 -0.366 3.594 3.960 0.000 0.000 0.260 1059 G C 0.235 175.135 174.900 -0.001 0.000 0.986 1059 G CA 0.808 45.908 45.100 -0.000 0.000 0.683 1059 G HN 0.477 nan 8.290 nan 0.000 0.527 1060 K N 0.969 121.367 120.400 -0.003 0.000 2.221 1060 K HA 0.432 4.752 4.320 0.000 0.000 0.258 1060 K C -2.599 173.999 176.600 -0.004 0.000 0.944 1060 K CA -1.954 54.330 56.287 -0.006 0.000 0.823 1060 K CB 2.799 35.293 32.500 -0.010 0.000 1.113 1060 K HN 0.033 nan 8.250 nan 0.000 0.431 1061 P HA 0.121 nan 4.420 nan 0.000 0.271 1061 P C -0.584 176.712 177.300 -0.006 0.000 1.216 1061 P CA -0.264 62.836 63.100 0.000 0.000 0.771 1061 P CB 0.906 32.605 31.700 -0.002 0.000 0.864 1062 V N 4.473 124.389 119.914 0.003 0.000 2.925 1062 V HA 0.356 4.476 4.120 0.000 0.000 0.311 1062 V C 0.008 176.112 176.094 0.016 0.000 1.104 1062 V CA -0.815 61.483 62.300 -0.004 0.000 0.954 1062 V CB 2.533 34.353 31.823 -0.004 0.000 1.022 1062 V HN 0.397 nan 8.190 nan 0.000 0.427 1063 I N 3.800 124.373 120.570 0.004 0.000 2.437 1063 I HA 0.519 4.689 4.170 0.000 0.000 0.298 1063 I C -0.338 175.811 176.117 0.053 0.000 0.984 1063 I CA -0.510 60.812 61.300 0.036 0.000 1.214 1063 I CB 1.925 39.935 38.000 0.016 0.000 1.365 1063 I HN 0.245 nan 8.210 nan 0.000 0.469 1064 V N 5.345 125.321 119.914 0.102 0.000 2.409 1064 V HA 0.418 4.538 4.120 0.000 0.000 0.291 1064 V C -0.429 175.750 176.094 0.142 0.000 1.020 1064 V CA -0.483 61.877 62.300 0.100 0.000 0.848 1064 V CB 2.004 33.870 31.823 0.071 0.000 0.990 1064 V HN 0.894 nan 8.190 nan 0.000 0.430 1065 C N 5.053 124.432 119.300 0.133 0.000 2.551 1065 C HA 0.707 5.167 4.460 0.000 0.000 0.332 1065 C C 0.418 175.510 174.990 0.169 0.000 1.139 1065 C CA -0.400 58.718 59.018 0.167 0.000 1.328 1065 C CB 1.118 28.959 27.740 0.168 0.000 1.903 1065 C HN 1.028 nan 8.230 nan 0.000 0.459 1066 S N 3.230 119.039 115.700 0.182 0.000 2.584 1066 S HA 0.420 4.890 4.470 0.000 0.000 0.273 1066 S C 0.882 175.612 174.600 0.217 0.000 1.311 1066 S CA 0.322 58.609 58.200 0.145 0.000 1.034 1066 S CB 1.391 64.642 63.200 0.085 0.000 0.939 1066 S HN 1.016 nan 8.310 nan 0.000 0.513 1067 T N -0.945 113.698 114.554 0.147 0.000 3.044 1067 T HA 0.499 4.849 4.350 0.000 0.000 0.250 1067 T C 1.241 175.978 174.700 0.063 0.000 1.081 1067 T CA 0.221 62.434 62.100 0.187 0.000 1.040 1067 T CB -0.988 67.948 68.868 0.112 0.000 0.962 1067 T HN 1.803 nan 8.240 nan 0.000 0.506 1068 G N 1.734 110.505 108.800 -0.048 0.000 2.752 1068 G HA2 -0.175 3.785 3.960 0.000 0.000 0.234 1068 G HA3 -0.175 3.785 3.960 0.000 0.000 0.234 1068 G C -0.481 174.389 174.900 -0.049 0.000 1.367 1068 G CA -0.376 44.657 45.100 -0.111 0.000 0.879 1068 G HN 0.658 nan 8.290 nan 0.000 0.563 1069 I N 2.265 122.800 120.570 -0.058 0.000 2.371 1069 I HA 0.524 4.694 4.170 0.000 0.000 0.290 1069 I C 1.085 177.191 176.117 -0.018 0.000 1.028 1069 I CA 1.010 62.290 61.300 -0.033 0.000 1.345 1069 I CB 0.515 38.487 38.000 -0.046 0.000 1.407 1069 I HN 1.921 nan 8.210 nan 0.000 0.501 1070 G N 3.950 112.749 108.800 -0.002 0.000 2.663 1070 G HA2 -0.086 3.874 3.960 0.000 0.000 0.686 1070 G HA3 -0.086 3.874 3.960 0.000 0.000 0.686 1070 G C 0.558 175.463 174.900 0.007 0.000 1.246 1070 G CA -0.501 44.600 45.100 0.003 0.000 0.795 1070 G HN 0.923 nan 8.290 nan 0.000 0.627 1071 G N 0.687 109.490 108.800 0.005 0.000 2.599 1071 G HA2 -0.068 3.892 3.960 0.000 0.000 0.219 1071 G HA3 -0.068 3.892 3.960 0.000 0.000 0.219 1071 G C 0.183 175.089 174.900 0.010 0.000 1.193 1071 G CA 2.367 47.469 45.100 0.004 0.000 0.778 1071 G HN 0.738 nan 8.290 nan 0.000 0.589 1072 P HA -0.120 nan 4.420 nan 0.000 0.215 1072 P C 2.468 179.794 177.300 0.042 0.000 1.157 1072 P CA 2.523 65.623 63.100 -0.000 0.000 0.874 1072 P CB -0.255 31.438 31.700 -0.012 0.000 0.790 1073 S N -2.250 113.490 115.700 0.066 0.000 2.406 1073 S HA -0.096 4.374 4.470 0.000 0.000 0.228 1073 S C 1.950 176.682 174.600 0.221 0.000 1.020 1073 S CA 1.605 59.910 58.200 0.176 0.000 0.965 1073 S CB -1.930 61.326 63.200 0.093 0.000 0.798 1073 S HN 0.067 nan 8.310 nan 0.000 0.488 1074 T N 3.204 117.823 114.554 0.110 0.000 2.665 1074 T HA -0.149 4.201 4.350 0.000 0.000 0.268 1074 T C 2.301 177.004 174.700 0.004 0.000 1.035 1074 T CA 2.061 64.198 62.100 0.062 0.000 1.151 1074 T CB -0.828 68.044 68.868 0.007 0.000 0.862 1074 T HN 0.796 nan 8.240 nan 0.000 0.438 1075 S N 1.000 116.708 115.700 0.013 0.000 2.419 1075 S HA -0.023 4.447 4.470 0.000 0.000 0.233 1075 S C 2.058 176.667 174.600 0.015 0.000 1.016 1075 S CA 0.756 58.969 58.200 0.022 0.000 0.974 1075 S CB -0.714 62.593 63.200 0.178 0.000 0.786 1075 S HN 0.528 nan 8.310 nan 0.000 0.492 1076 I N 1.872 122.436 120.570 -0.009 0.000 2.233 1076 I HA -0.044 4.126 4.170 0.000 0.000 0.243 1076 I C 3.120 179.122 176.117 -0.192 0.000 1.093 1076 I CA 0.977 62.209 61.300 -0.114 0.000 1.380 1076 I CB -0.734 37.108 38.000 -0.264 0.000 1.067 1076 I HN 0.425 nan 8.210 nan 0.000 0.413 1077 A N 0.638 123.339 122.820 -0.198 0.000 1.883 1077 A HA -0.167 4.153 4.320 0.000 0.000 0.217 1077 A C 2.431 179.990 177.584 -0.042 0.000 1.186 1077 A CA 1.901 53.839 52.037 -0.165 0.000 0.624 1077 A CB -1.026 18.002 19.000 0.047 0.000 0.822 1077 A HN 0.233 nan 8.150 nan 0.000 0.444 1078 V N 0.211 120.065 119.914 -0.099 0.000 2.261 1078 V HA -0.264 3.856 4.120 0.000 0.000 0.246 1078 V C 2.656 178.688 176.094 -0.103 0.000 1.047 1078 V CA 2.523 64.667 62.300 -0.260 0.000 1.015 1078 V CB -0.813 30.648 31.823 -0.603 0.000 0.642 1078 V HN 0.775 nan 8.190 nan 0.000 0.446 1079 E N 0.861 121.019 120.200 -0.071 0.000 2.058 1079 E HA -0.259 4.091 4.350 0.000 0.000 0.194 1079 E C 2.066 178.698 176.600 0.054 0.000 0.997 1079 E CA 2.128 58.536 56.400 0.014 0.000 0.801 1079 E CB -0.330 29.410 29.700 0.066 0.000 0.746 1079 E HN 0.688 nan 8.360 nan 0.000 0.450 1080 E N -0.151 120.070 120.200 0.034 0.000 2.107 1080 E HA -0.099 4.251 4.350 0.000 0.000 0.191 1080 E C 2.318 178.959 176.600 0.068 0.000 0.982 1080 E CA 0.959 57.384 56.400 0.041 0.000 0.809 1080 E CB -0.148 29.552 29.700 0.001 0.000 0.756 1080 E HN 0.294 nan 8.360 nan 0.000 0.459 1081 L N 0.715 122.003 121.223 0.109 0.000 2.046 1081 L HA -0.201 4.139 4.340 0.000 0.000 0.208 1081 L C 2.592 179.566 176.870 0.172 0.000 1.077 1081 L CA 1.033 55.968 54.840 0.158 0.000 0.747 1081 L CB -0.449 41.779 42.059 0.283 0.000 0.896 1081 L HN 0.153 nan 8.230 nan 0.000 0.432 1082 A N -0.652 122.321 122.820 0.255 0.000 1.940 1082 A HA -0.267 4.053 4.320 0.000 0.000 0.219 1082 A C 2.202 179.850 177.584 0.107 0.000 1.176 1082 A CA 1.597 53.762 52.037 0.214 0.000 0.631 1082 A CB -0.479 18.644 19.000 0.204 0.000 0.814 1082 A HN 0.481 nan 8.150 nan 0.000 0.446 1083 Q N -0.720 119.132 119.800 0.087 0.000 2.135 1083 Q HA -0.076 4.264 4.340 0.000 0.000 0.204 1083 Q C 1.501 177.528 176.000 0.045 0.000 0.981 1083 Q CA 1.286 57.125 55.803 0.059 0.000 0.856 1083 Q CB -0.252 28.518 28.738 0.054 0.000 0.902 1083 Q HN 0.693 nan 8.270 nan 0.000 0.425 1084 L N -1.273 119.977 121.223 0.045 0.000 2.612 1084 L HA 0.171 4.511 4.340 0.000 0.000 0.230 1084 L C 1.112 177.991 176.870 0.015 0.000 1.140 1084 L CA 0.443 55.299 54.840 0.027 0.000 0.896 1084 L CB 0.292 42.366 42.059 0.024 0.000 1.065 1084 L HN 0.385 nan 8.230 nan 0.000 0.447 1085 G N -0.441 108.370 108.800 0.019 0.000 2.211 1085 G HA2 -0.190 3.770 3.960 0.000 0.000 0.201 1085 G HA3 -0.190 3.770 3.960 0.000 0.000 0.201 1085 G C 0.261 175.141 174.900 -0.034 0.000 0.997 1085 G CA -0.689 44.411 45.100 -0.001 0.000 0.652 1085 G HN 0.069 nan 8.290 nan 0.000 0.500 1086 I N 1.282 121.814 120.570 -0.063 0.000 2.618 1086 I HA 0.259 4.429 4.170 0.000 0.000 0.284 1086 I C 1.357 177.355 176.117 -0.198 0.000 1.146 1086 I CA 0.418 61.586 61.300 -0.219 0.000 1.425 1086 I CB 0.871 38.629 38.000 -0.403 0.000 1.383 1086 I HN 0.128 nan 8.210 nan 0.000 0.562 1087 R N 2.990 123.353 120.500 -0.230 0.000 2.469 1087 R HA 0.197 4.537 4.340 0.000 0.000 0.250 1087 R C -0.218 176.030 176.300 -0.088 0.000 0.909 1087 R CA 0.179 56.233 56.100 -0.077 0.000 1.050 1087 R CB 0.656 30.942 30.300 -0.024 0.000 1.256 1087 R HN 0.533 nan 8.270 nan 0.000 0.550 1088 T N 1.162 115.537 114.554 -0.299 0.000 2.879 1088 T HA 0.557 4.907 4.350 0.000 0.000 0.290 1088 T C -1.107 173.381 174.700 -0.354 0.000 0.993 1088 T CA -0.290 61.709 62.100 -0.168 0.000 0.975 1088 T CB 1.245 70.052 68.868 -0.102 0.000 0.981 1088 T HN -0.143 nan 8.240 nan 0.000 0.439 1089 F N 2.894 122.840 119.950 -0.005 0.000 2.460 1089 F HA 0.548 5.075 4.527 0.000 0.000 0.341 1089 F C -0.222 175.575 175.800 -0.006 0.000 1.130 1089 F CA -0.997 56.999 58.000 -0.005 0.000 0.962 1089 F CB 1.264 40.257 39.000 -0.012 0.000 1.171 1089 F HN 0.201 nan 8.300 nan 0.000 0.436 1090 L N 4.248 125.549 121.223 0.131 0.000 2.298 1090 L HA 0.544 4.884 4.340 0.000 0.000 0.284 1090 L C -0.089 176.831 176.870 0.083 0.000 1.013 1090 L CA -0.766 54.123 54.840 0.081 0.000 0.824 1090 L CB 1.737 43.816 42.059 0.032 0.000 1.221 1090 L HN 0.565 nan 8.230 nan 0.000 0.418 1091 R N 3.365 123.907 120.500 0.071 0.000 2.297 1091 R HA 0.556 4.896 4.340 0.000 0.000 0.308 1091 R C -0.972 175.349 176.300 0.035 0.000 1.029 1091 R CA -0.456 55.677 56.100 0.055 0.000 0.929 1091 R CB 1.200 31.526 30.300 0.043 0.000 1.046 1091 R HN 0.540 nan 8.270 nan 0.000 0.461 1092 I N 3.913 124.501 120.570 0.031 0.000 2.418 1092 I HA 0.647 4.817 4.170 0.000 0.000 0.287 1092 I C -0.693 175.436 176.117 0.019 0.000 1.008 1092 I CA -0.146 61.166 61.300 0.020 0.000 1.104 1092 I CB 1.706 39.714 38.000 0.014 0.000 1.264 1092 I HN 0.746 nan 8.210 nan 0.000 0.438 1093 G N 4.077 112.887 108.800 0.018 0.000 2.818 1093 G HA2 0.701 4.661 3.960 0.000 0.000 0.286 1093 G HA3 0.701 4.661 3.960 0.000 0.000 0.286 1093 G C -1.046 173.864 174.900 0.017 0.000 1.364 1093 G CA -0.353 44.757 45.100 0.017 0.000 0.938 1093 G HN 0.655 nan 8.290 nan 0.000 0.490 1094 T N -2.735 111.830 114.554 0.019 0.000 2.918 1094 T HA 0.744 5.094 4.350 0.000 0.000 0.286 1094 T C -0.286 174.432 174.700 0.031 0.000 1.026 1094 T CA -0.546 61.567 62.100 0.022 0.000 1.031 1094 T CB 2.029 70.909 68.868 0.020 0.000 1.046 1094 T HN 0.907 nan 8.240 nan 0.000 0.479 1095 T N -0.173 114.399 114.554 0.029 0.000 2.821 1095 T HA 0.677 5.027 4.350 0.000 0.000 0.306 1095 T C -0.697 174.017 174.700 0.024 0.000 1.313 1095 T CA -0.412 61.706 62.100 0.030 0.000 1.012 1095 T CB 1.380 70.258 68.868 0.017 0.000 1.298 1095 T HN 1.182 nan 8.240 nan 0.000 0.502 1096 G N 1.396 110.211 108.800 0.025 0.000 2.422 1096 G HA2 0.665 4.625 3.960 0.000 0.000 0.317 1096 G HA3 0.665 4.625 3.960 0.000 0.000 0.317 1096 G C -0.027 174.870 174.900 -0.004 0.000 1.210 1096 G CA -0.198 44.910 45.100 0.013 0.000 0.930 1096 G HN 0.992 nan 8.290 nan 0.000 0.468 1097 A N 2.213 125.010 122.820 -0.039 0.000 2.407 1097 A HA 0.520 4.840 4.320 0.000 0.000 0.248 1097 A C 1.142 178.681 177.584 -0.074 0.000 1.082 1097 A CA -0.328 51.655 52.037 -0.089 0.000 0.785 1097 A CB 0.203 19.120 19.000 -0.138 0.000 1.020 1097 A HN 1.298 nan 8.150 nan 0.000 0.489 1098 I N -2.194 118.312 120.570 -0.107 0.000 4.081 1098 I HA 0.250 4.420 4.170 0.000 0.000 0.333 1098 I C -0.293 175.781 176.117 -0.072 0.000 1.413 1098 I CA -0.279 60.980 61.300 -0.069 0.000 1.110 1098 I CB 0.178 38.128 38.000 -0.082 0.000 1.082 1098 I HN 0.335 nan 8.210 nan 0.000 0.402 1099 Q N 2.827 122.543 119.800 -0.139 0.000 2.282 1099 Q HA 0.395 4.735 4.340 0.000 0.000 0.260 1099 Q C -1.862 174.039 176.000 -0.165 0.000 0.964 1099 Q CA -2.068 53.652 55.803 -0.138 0.000 0.880 1099 Q CB 2.035 30.616 28.738 -0.262 0.000 1.286 1099 Q HN 0.055 nan 8.270 nan 0.000 0.445 1100 P HA -0.147 nan 4.420 nan 0.000 0.226 1100 P C 0.765 178.060 177.300 -0.008 0.000 1.153 1100 P CA 1.330 64.423 63.100 -0.012 0.000 0.777 1100 P CB 0.152 31.877 31.700 0.040 0.000 0.794 1101 H N -1.113 117.926 119.070 -0.051 0.000 2.548 1101 H HA 0.198 4.754 4.556 0.000 0.000 0.268 1101 H C 0.642 175.926 175.328 -0.073 0.000 0.975 1101 H CA -0.221 55.805 56.048 -0.037 0.000 1.195 1101 H CB -0.614 29.139 29.762 -0.014 0.000 1.397 1101 H HN 0.124 nan 8.280 nan 0.000 0.572 1102 I N 2.764 122.986 120.570 -0.580 0.000 2.352 1102 I HA 0.094 4.264 4.170 0.000 0.000 0.290 1102 I C -0.304 175.708 176.117 -0.176 0.000 1.036 1102 I CA -0.235 60.771 61.300 -0.491 0.000 1.336 1102 I CB 0.835 38.433 38.000 -0.669 0.000 1.407 1102 I HN 0.134 nan 8.210 nan 0.000 0.497 1103 N N 4.149 122.824 118.700 -0.042 0.000 2.472 1103 N HA 0.377 5.117 4.740 0.000 0.000 0.289 1103 N C -0.857 174.649 175.510 -0.007 0.000 1.156 1103 N CA -0.864 52.179 53.050 -0.012 0.000 0.940 1103 N CB 1.845 40.344 38.487 0.020 0.000 1.200 1103 N HN 0.224 nan 8.380 nan 0.000 0.511 1104 V N 1.460 121.366 119.914 -0.013 0.000 2.509 1104 V HA 0.180 4.300 4.120 0.000 0.000 0.297 1104 V C 1.424 177.508 176.094 -0.017 0.000 1.014 1104 V CA 1.357 63.649 62.300 -0.013 0.000 1.127 1104 V CB -0.316 31.499 31.823 -0.014 0.000 0.925 1104 V HN 1.119 nan 8.190 nan 0.000 0.480 1105 G N 3.708 112.496 108.800 -0.020 0.000 2.278 1105 G HA2 -0.170 3.790 3.960 0.000 0.000 0.210 1105 G HA3 -0.170 3.790 3.960 0.000 0.000 0.210 1105 G C -0.077 174.820 174.900 -0.004 0.000 1.000 1105 G CA -0.073 45.000 45.100 -0.045 0.000 0.635 1105 G HN 0.667 nan 8.290 nan 0.000 0.495 1106 D N 0.263 120.688 120.400 0.041 0.000 2.361 1106 D HA 0.499 5.139 4.640 0.000 0.000 0.239 1106 D C 0.419 176.776 176.300 0.095 0.000 1.200 1106 D CA 0.135 54.194 54.000 0.098 0.000 0.915 1106 D CB 1.671 42.588 40.800 0.196 0.000 1.170 1106 D HN 0.235 nan 8.370 nan 0.000 0.444 1107 V N 1.783 121.759 119.914 0.104 0.000 2.459 1107 V HA 0.350 4.470 4.120 0.000 0.000 0.295 1107 V C -0.141 176.008 176.094 0.092 0.000 1.029 1107 V CA -0.744 61.604 62.300 0.081 0.000 0.874 1107 V CB 1.353 33.215 31.823 0.065 0.000 0.985 1107 V HN 0.280 nan 8.190 nan 0.000 0.438 1108 L N 5.334 126.600 121.223 0.072 0.000 2.313 1108 L HA 0.645 4.985 4.340 0.000 0.000 0.283 1108 L C -0.683 176.210 176.870 0.039 0.000 1.013 1108 L CA -0.781 54.100 54.840 0.069 0.000 0.816 1108 L CB 1.868 43.953 42.059 0.044 0.000 1.236 1108 L HN 0.321 nan 8.230 nan 0.000 0.419 1109 V N 1.799 121.735 119.914 0.036 0.000 2.398 1109 V HA 0.316 4.436 4.120 0.000 0.000 0.286 1109 V C 0.268 176.372 176.094 0.018 0.000 1.026 1109 V CA -0.426 61.884 62.300 0.017 0.000 0.868 1109 V CB 1.745 33.570 31.823 0.003 0.000 0.982 1109 V HN 0.726 nan 8.190 nan 0.000 0.443 1110 T N 3.458 118.018 114.554 0.010 0.000 2.743 1110 T HA 0.217 4.567 4.350 0.000 0.000 0.293 1110 T C 1.321 176.027 174.700 0.011 0.000 0.945 1110 T CA 0.184 62.288 62.100 0.006 0.000 1.030 1110 T CB 1.242 70.108 68.868 -0.002 0.000 0.912 1110 T HN 0.976 nan 8.240 nan 0.000 0.483 1111 T N 0.940 115.504 114.554 0.016 0.000 2.937 1111 T HA 0.461 4.811 4.350 0.000 0.000 0.260 1111 T C 0.748 175.462 174.700 0.023 0.000 1.051 1111 T CA 0.287 62.403 62.100 0.028 0.000 1.141 1111 T CB 0.161 69.052 68.868 0.038 0.000 0.879 1111 T HN 0.737 nan 8.240 nan 0.000 0.459 1112 A N -0.032 122.793 122.820 0.008 0.000 2.601 1112 A HA 0.683 5.003 4.320 0.000 0.000 0.291 1112 A C -1.020 176.552 177.584 -0.020 0.000 1.075 1112 A CA -0.833 51.205 52.037 0.001 0.000 0.671 1112 A CB 1.317 20.316 19.000 -0.001 0.000 1.277 1112 A HN 0.194 nan 8.150 nan 0.000 0.417 1113 S N -0.228 115.458 115.700 -0.024 0.000 2.503 1113 S HA 0.581 5.051 4.470 0.000 0.000 0.301 1113 S C -0.297 174.256 174.600 -0.078 0.000 1.087 1113 S CA -0.536 57.630 58.200 -0.056 0.000 1.042 1113 S CB 1.637 64.813 63.200 -0.040 0.000 1.043 1113 S HN 0.893 nan 8.310 nan 0.000 0.489 1114 V N 3.433 123.249 119.914 -0.164 0.000 2.485 1114 V HA 0.156 4.276 4.120 0.000 0.000 0.287 1114 V C 0.635 176.646 176.094 -0.138 0.000 1.022 1114 V CA 0.070 62.233 62.300 -0.229 0.000 1.067 1114 V CB -0.240 31.248 31.823 -0.558 0.000 0.967 1114 V HN 0.696 nan 8.190 nan 0.000 0.479 1115 R N 5.344 125.817 120.500 -0.046 0.000 2.608 1115 R HA 0.325 4.665 4.340 0.000 0.000 0.277 1115 R C -0.036 176.305 176.300 0.068 0.000 1.341 1115 R CA -0.132 55.983 56.100 0.025 0.000 1.199 1115 R CB 0.053 30.394 30.300 0.069 0.000 1.156 1115 R HN 0.677 nan 8.270 nan 0.000 0.558 1116 L N 2.212 123.478 121.223 0.070 0.000 2.912 1116 L HA 0.161 4.501 4.340 0.000 0.000 0.240 1116 L C 0.199 177.163 176.870 0.158 0.000 1.262 1116 L CA -0.319 54.633 54.840 0.186 0.000 1.058 1116 L CB -0.623 41.587 42.059 0.252 0.000 1.383 1116 L HN 0.496 nan 8.230 nan 0.000 0.512 1117 D N -1.232 119.235 120.400 0.111 0.000 2.467 1117 D HA 0.296 4.936 4.640 0.000 0.000 0.245 1117 D C 0.771 177.125 176.300 0.089 0.000 1.038 1117 D CA -0.393 53.656 54.000 0.082 0.000 1.038 1117 D CB 1.949 42.780 40.800 0.052 0.000 1.278 1117 D HN -0.062 nan 8.370 nan 0.000 0.564 1118 G N -0.896 107.938 108.800 0.057 0.000 2.608 1118 G HA2 0.188 4.148 3.960 0.000 0.000 0.210 1118 G HA3 0.188 4.148 3.960 0.000 0.000 0.210 1118 G C 1.306 176.205 174.900 -0.000 0.000 1.139 1118 G CA 0.642 45.775 45.100 0.056 0.000 0.812 1118 G HN 0.612 nan 8.290 nan 0.000 0.529 1119 A N 1.699 124.474 122.820 -0.076 0.000 1.930 1119 A HA 0.017 4.337 4.320 0.000 0.000 0.217 1119 A C 2.697 180.353 177.584 0.120 0.000 1.175 1119 A CA 2.301 54.236 52.037 -0.169 0.000 0.627 1119 A CB -0.722 18.241 19.000 -0.061 0.000 0.815 1119 A HN 0.688 nan 8.150 nan 0.000 0.443 1120 S N 0.527 116.329 115.700 0.170 0.000 2.387 1120 S HA -0.174 4.296 4.470 0.000 0.000 0.230 1120 S C 1.761 176.513 174.600 0.253 0.000 1.035 1120 S CA 1.609 59.954 58.200 0.242 0.000 1.014 1120 S CB -0.894 62.391 63.200 0.142 0.000 0.836 1120 S HN 0.453 nan 8.310 nan 0.000 0.466 1121 L N 0.910 122.259 121.223 0.210 0.000 2.353 1121 L HA -0.072 4.268 4.340 0.000 0.000 0.220 1121 L C 2.402 179.367 176.870 0.158 0.000 1.133 1121 L CA 1.282 56.232 54.840 0.182 0.000 0.798 1121 L CB -0.815 41.347 42.059 0.173 0.000 0.922 1121 L HN 0.523 nan 8.230 nan 0.000 0.445 1122 H N -1.889 117.125 119.070 -0.093 0.000 2.551 1122 H HA 0.009 4.565 4.556 0.000 0.000 0.266 1122 H C 1.308 176.285 175.328 -0.585 0.000 0.977 1122 H CA 0.540 56.382 56.048 -0.343 0.000 1.163 1122 H CB 0.380 29.865 29.762 -0.462 0.000 1.381 1122 H HN 0.351 nan 8.280 nan 0.000 0.581 1123 F N -0.273 119.699 119.950 0.038 0.000 2.619 1123 F HA 0.421 4.948 4.527 0.000 0.000 0.281 1123 F C 0.925 176.635 175.800 -0.151 0.000 1.065 1123 F CA 0.002 57.965 58.000 -0.062 0.000 1.304 1123 F CB 0.911 39.858 39.000 -0.088 0.000 1.059 1123 F HN -0.040 nan 8.300 nan 0.000 0.648 1124 A N 0.257 123.097 122.820 0.034 0.000 2.572 1124 A HA 0.683 5.003 4.320 0.000 0.000 0.295 1124 A C -2.758 174.845 177.584 0.031 0.000 1.072 1124 A CA -1.542 50.439 52.037 -0.093 0.000 0.691 1124 A CB 0.742 19.471 19.000 -0.452 0.000 1.291 1124 A HN -0.178 nan 8.150 nan 0.000 0.404 1125 P HA 0.155 nan 4.420 nan 0.000 0.272 1125 P C 0.826 178.207 177.300 0.135 0.000 1.240 1125 P CA -0.363 62.787 63.100 0.084 0.000 0.791 1125 P CB 0.648 32.393 31.700 0.074 0.000 0.978 1126 L N 1.374 122.665 121.223 0.114 0.000 2.127 1126 L HA -0.199 4.141 4.340 0.000 0.000 0.211 1126 L C 2.226 179.177 176.870 0.135 0.000 1.089 1126 L CA 1.895 56.809 54.840 0.122 0.000 0.757 1126 L CB -1.364 40.753 42.059 0.097 0.000 0.899 1126 L HN 0.469 nan 8.230 nan 0.000 0.434 1127 E N -1.145 119.131 120.200 0.128 0.000 2.338 1127 E HA -0.250 4.100 4.350 0.000 0.000 0.197 1127 E C 0.782 177.459 176.600 0.128 0.000 1.007 1127 E CA 0.134 56.599 56.400 0.108 0.000 0.849 1127 E CB -0.762 28.990 29.700 0.086 0.000 0.774 1127 E HN 0.436 nan 8.360 nan 0.000 0.506 1128 F N 4.103 124.077 119.950 0.040 0.000 2.456 1128 F HA 0.225 4.752 4.527 -0.000 0.000 0.358 1128 F C -2.022 173.799 175.800 0.035 0.000 1.095 1128 F CA -2.637 55.386 58.000 0.038 0.000 1.216 1128 F CB 0.779 39.807 39.000 0.047 0.000 1.125 1128 F HN -0.174 nan 8.300 nan 0.000 0.549 1129 P HA 0.128 nan 4.420 nan 0.000 0.281 1129 P C -1.136 176.199 177.300 0.058 0.000 1.252 1129 P CA -0.341 62.688 63.100 -0.118 0.000 0.778 1129 P CB 1.229 32.785 31.700 -0.241 0.000 0.895 1130 A N 4.161 127.043 122.820 0.104 0.000 3.026 1130 A HA 0.234 4.554 4.320 0.000 0.000 0.272 1130 A C 0.309 177.930 177.584 0.062 0.000 1.782 1130 A CA -0.264 51.843 52.037 0.116 0.000 1.451 1130 A CB -0.970 18.074 19.000 0.074 0.000 1.081 1130 A HN 0.472 nan 8.150 nan 0.000 0.611 1131 V N 1.790 121.743 119.914 0.065 0.000 2.532 1131 V HA 0.683 4.803 4.120 0.000 0.000 0.295 1131 V C 0.643 176.772 176.094 0.059 0.000 1.041 1131 V CA -0.212 62.111 62.300 0.037 0.000 0.926 1131 V CB 1.394 33.215 31.823 -0.003 0.000 0.992 1131 V HN 0.894 nan 8.190 nan 0.000 0.457 1132 A N 4.216 127.067 122.820 0.052 0.000 2.351 1132 A HA 0.377 4.697 4.320 0.000 0.000 0.257 1132 A C 0.074 177.706 177.584 0.080 0.000 1.087 1132 A CA -0.252 51.818 52.037 0.056 0.000 0.798 1132 A CB 0.138 19.162 19.000 0.039 0.000 1.033 1132 A HN 1.025 nan 8.150 nan 0.000 0.488 1133 D N 0.446 120.895 120.400 0.081 0.000 2.458 1133 D HA 0.052 4.692 4.640 0.000 0.000 0.243 1133 D C 0.725 177.095 176.300 0.117 0.000 1.146 1133 D CA 0.200 54.263 54.000 0.104 0.000 0.877 1133 D CB 0.086 40.937 40.800 0.085 0.000 1.176 1133 D HN 0.419 nan 8.370 nan 0.000 0.461 1134 F N 3.053 123.013 119.950 0.017 0.000 2.126 1134 F HA -0.150 4.377 4.527 0.000 0.000 0.299 1134 F C 1.868 177.675 175.800 0.011 0.000 1.096 1134 F CA 1.477 59.484 58.000 0.011 0.000 1.255 1134 F CB 0.130 39.135 39.000 0.008 0.000 0.997 1134 F HN 0.539 nan 8.300 nan 0.000 0.479 1135 E N -0.521 119.654 120.200 -0.041 0.000 2.077 1135 E HA -0.230 4.120 4.350 0.000 0.000 0.193 1135 E C 2.320 178.828 176.600 -0.154 0.000 0.989 1135 E CA 1.588 57.906 56.400 -0.137 0.000 0.800 1135 E CB -0.433 29.268 29.700 0.003 0.000 0.746 1135 E HN 0.458 nan 8.360 nan 0.000 0.452 1136 C N 0.362 119.617 119.300 -0.076 0.000 2.429 1136 C HA -0.120 4.340 4.460 0.000 0.000 0.277 1136 C C 2.838 177.773 174.990 -0.091 0.000 1.262 1136 C CA 1.132 60.115 59.018 -0.058 0.000 1.733 1136 C CB -1.007 26.730 27.740 -0.005 0.000 2.010 1136 C HN 0.510 nan 8.230 nan 0.000 0.483 1137 T N 0.688 115.172 114.554 -0.117 0.000 2.708 1137 T HA -0.168 4.182 4.350 0.000 0.000 0.266 1137 T C 1.815 176.397 174.700 -0.197 0.000 1.037 1137 T CA 2.204 64.228 62.100 -0.127 0.000 1.146 1137 T CB -0.546 68.261 68.868 -0.102 0.000 0.865 1137 T HN 0.602 nan 8.240 nan 0.000 0.435 1138 T N 2.073 116.412 114.554 -0.357 0.000 2.684 1138 T HA -0.085 4.265 4.350 0.000 0.000 0.267 1138 T C 2.397 176.981 174.700 -0.192 0.000 1.036 1138 T CA 1.304 63.193 62.100 -0.353 0.000 1.148 1138 T CB -0.635 67.903 68.868 -0.549 0.000 0.863 1138 T HN 0.442 nan 8.240 nan 0.000 0.436 1139 A N 1.023 123.748 122.820 -0.159 0.000 1.908 1139 A HA -0.017 4.303 4.320 0.000 0.000 0.218 1139 A C 2.329 179.866 177.584 -0.079 0.000 1.181 1139 A CA 1.288 53.265 52.037 -0.099 0.000 0.627 1139 A CB -0.864 18.090 19.000 -0.077 0.000 0.818 1139 A HN 0.478 nan 8.150 nan 0.000 0.445 1140 L N -0.774 120.403 121.223 -0.077 0.000 2.027 1140 L HA -0.149 4.191 4.340 0.000 0.000 0.206 1140 L C 2.535 179.371 176.870 -0.056 0.000 1.074 1140 L CA 1.087 55.894 54.840 -0.055 0.000 0.745 1140 L CB -0.507 41.527 42.059 -0.042 0.000 0.898 1140 L HN 0.246 nan 8.230 nan 0.000 0.433 1141 V N -0.294 119.578 119.914 -0.070 0.000 2.427 1141 V HA -0.253 3.867 4.120 0.000 0.000 0.248 1141 V C 2.334 178.392 176.094 -0.059 0.000 1.051 1141 V CA 1.710 63.974 62.300 -0.060 0.000 1.048 1141 V CB -0.423 31.361 31.823 -0.066 0.000 0.666 1141 V HN 0.452 nan 8.190 nan 0.000 0.456 1142 E N 0.058 120.217 120.200 -0.068 0.000 2.107 1142 E HA -0.110 4.240 4.350 0.000 0.000 0.191 1142 E C 2.337 178.904 176.600 -0.054 0.000 0.982 1142 E CA 1.085 57.450 56.400 -0.058 0.000 0.809 1142 E CB -0.251 29.412 29.700 -0.062 0.000 0.756 1142 E HN 0.596 nan 8.360 nan 0.000 0.459 1143 A N 1.647 124.434 122.820 -0.055 0.000 1.902 1143 A HA -0.119 4.201 4.320 0.000 0.000 0.217 1143 A C 2.407 179.955 177.584 -0.061 0.000 1.181 1143 A CA 1.650 53.654 52.037 -0.054 0.000 0.623 1143 A CB -0.607 18.363 19.000 -0.050 0.000 0.818 1143 A HN 0.287 nan 8.150 nan 0.000 0.443 1144 A N -0.336 122.451 122.820 -0.056 0.000 1.883 1144 A HA -0.194 4.126 4.320 0.000 0.000 0.217 1144 A C 2.100 179.647 177.584 -0.062 0.000 1.186 1144 A CA 2.252 54.254 52.037 -0.058 0.000 0.624 1144 A CB -0.463 18.511 19.000 -0.043 0.000 0.822 1144 A HN 0.469 nan 8.150 nan 0.000 0.444 1145 K N 0.205 120.573 120.400 -0.053 0.000 2.063 1145 K HA -0.138 4.182 4.320 0.000 0.000 0.208 1145 K C 2.363 178.934 176.600 -0.050 0.000 1.048 1145 K CA 1.676 57.934 56.287 -0.048 0.000 0.928 1145 K CB -0.225 32.251 32.500 -0.041 0.000 0.713 1145 K HN 0.620 nan 8.250 nan 0.000 0.442 1146 S N 0.280 115.947 115.700 -0.053 0.000 2.453 1146 S HA -0.109 4.361 4.470 0.000 0.000 0.231 1146 S C 1.731 176.292 174.600 -0.065 0.000 1.005 1146 S CA 1.031 59.200 58.200 -0.052 0.000 0.949 1146 S CB -0.428 62.743 63.200 -0.048 0.000 0.774 1146 S HN 0.436 nan 8.310 nan 0.000 0.510 1147 I N -2.520 117.996 120.570 -0.090 0.000 3.956 1147 I HA 0.602 4.772 4.170 0.000 0.000 0.333 1147 I C 1.276 177.313 176.117 -0.133 0.000 1.302 1147 I CA 0.322 61.546 61.300 -0.127 0.000 1.122 1147 I CB 0.007 37.895 38.000 -0.186 0.000 1.013 1147 I HN 0.275 nan 8.210 nan 0.000 0.405 1148 G N 1.368 110.116 108.800 -0.088 0.000 2.147 1148 G HA2 -0.186 3.774 3.960 0.000 0.000 0.244 1148 G HA3 -0.186 3.774 3.960 0.000 0.000 0.244 1148 G C 0.411 175.295 174.900 -0.026 0.000 1.005 1148 G CA 0.025 45.094 45.100 -0.051 0.000 0.713 1148 G HN 0.992 nan 8.290 nan 0.000 0.515 1149 A N 0.280 123.074 122.820 -0.043 0.000 2.407 1149 A HA 0.720 5.040 4.320 0.000 0.000 0.248 1149 A C 1.055 178.649 177.584 0.017 0.000 1.082 1149 A CA 0.973 53.042 52.037 0.052 0.000 0.785 1149 A CB 0.348 19.398 19.000 0.083 0.000 1.020 1149 A HN 1.888 nan 8.150 nan 0.000 0.489 1150 T N 0.802 115.372 114.554 0.027 0.000 2.779 1150 T HA 0.484 4.834 4.350 0.000 0.000 0.296 1150 T C 0.055 174.682 174.700 -0.121 0.000 0.938 1150 T CA 0.089 62.158 62.100 -0.052 0.000 1.119 1150 T CB -0.129 68.722 68.868 -0.028 0.000 0.891 1150 T HN 0.541 nan 8.240 nan 0.000 0.526 1151 T N 4.634 119.047 114.554 -0.235 0.000 2.863 1151 T HA 0.440 4.790 4.350 0.000 0.000 0.285 1151 T C -0.852 173.597 174.700 -0.420 0.000 1.009 1151 T CA -0.758 61.215 62.100 -0.213 0.000 0.989 1151 T CB 0.957 69.767 68.868 -0.097 0.000 1.004 1151 T HN 0.732 nan 8.240 nan 0.000 0.455 1152 H N 0.905 119.988 119.070 0.021 0.000 2.538 1152 H HA 0.575 5.131 4.556 0.000 0.000 0.353 1152 H C -0.981 174.358 175.328 0.019 0.000 1.109 1152 H CA -0.566 55.500 56.048 0.031 0.000 1.192 1152 H CB 1.873 31.652 29.762 0.029 0.000 1.555 1152 H HN 0.251 nan 8.280 nan 0.000 0.518 1153 V N 2.281 122.268 119.914 0.121 0.000 2.448 1153 V HA 0.687 4.807 4.120 0.000 0.000 0.295 1153 V C 0.529 176.667 176.094 0.074 0.000 1.025 1153 V CA -0.161 62.181 62.300 0.070 0.000 0.859 1153 V CB 1.324 33.171 31.823 0.040 0.000 0.988 1153 V HN 1.108 nan 8.190 nan 0.000 0.431 1154 G N 3.334 112.164 108.800 0.051 0.000 2.399 1154 G HA2 0.379 4.339 3.960 0.000 0.000 0.256 1154 G HA3 0.379 4.339 3.960 0.000 0.000 0.256 1154 G C -1.480 173.427 174.900 0.011 0.000 1.236 1154 G CA -0.401 44.722 45.100 0.038 0.000 0.914 1154 G HN 0.500 nan 8.290 nan 0.000 0.482 1155 V N 0.956 120.868 119.914 -0.003 0.000 2.509 1155 V HA 0.637 4.757 4.120 0.000 0.000 0.284 1155 V C 0.231 176.281 176.094 -0.073 0.000 1.047 1155 V CA -0.128 62.152 62.300 -0.034 0.000 0.952 1155 V CB 1.288 33.092 31.823 -0.033 0.000 0.988 1155 V HN 0.741 nan 8.190 nan 0.000 0.469 1156 T N 3.868 118.366 114.554 -0.093 0.000 2.823 1156 T HA 0.637 4.987 4.350 0.000 0.000 0.279 1156 T C 0.007 174.590 174.700 -0.196 0.000 0.998 1156 T CA -0.267 61.755 62.100 -0.128 0.000 0.994 1156 T CB 1.587 70.410 68.868 -0.075 0.000 0.960 1156 T HN 0.899 nan 8.240 nan 0.000 0.448 1157 A N 2.410 125.054 122.820 -0.292 0.000 2.309 1157 A HA 0.596 4.916 4.320 0.000 0.000 0.290 1157 A C 0.392 177.921 177.584 -0.093 0.000 1.206 1157 A CA -0.418 51.409 52.037 -0.350 0.000 0.850 1157 A CB 0.339 18.942 19.000 -0.661 0.000 1.118 1157 A HN 0.631 nan 8.150 nan 0.000 0.523 1158 S N 2.097 117.753 115.700 -0.074 0.000 2.520 1158 S HA 0.503 4.973 4.470 0.000 0.000 0.324 1158 S C -0.077 174.535 174.600 0.019 0.000 1.069 1158 S CA -0.323 57.874 58.200 -0.006 0.000 1.121 1158 S CB 0.303 63.493 63.200 -0.016 0.000 0.971 1158 S HN 1.006 nan 8.310 nan 0.000 0.463 1159 S N 3.430 119.144 115.700 0.024 0.000 2.475 1159 S HA 0.345 4.815 4.470 0.000 0.000 0.298 1159 S C 0.519 175.103 174.600 -0.027 0.000 1.119 1159 S CA -0.613 57.578 58.200 -0.015 0.000 1.085 1159 S CB 1.162 64.287 63.200 -0.124 0.000 1.028 1159 S HN 0.689 nan 8.310 nan 0.000 0.489 1160 D N 2.200 122.594 120.400 -0.011 0.000 2.350 1160 D HA 0.066 4.706 4.640 0.000 0.000 0.216 1160 D C 0.799 177.086 176.300 -0.022 0.000 0.968 1160 D CA 1.016 55.014 54.000 -0.003 0.000 0.894 1160 D CB 0.104 40.920 40.800 0.026 0.000 0.909 1160 D HN 0.736 nan 8.370 nan 0.000 0.520 1161 T N -3.813 110.693 114.554 -0.079 0.000 2.907 1161 T HA 0.279 4.629 4.350 0.000 0.000 0.292 1161 T C 0.560 175.203 174.700 -0.096 0.000 1.043 1161 T CA -0.908 61.160 62.100 -0.053 0.000 1.003 1161 T CB 1.306 70.132 68.868 -0.070 0.000 1.084 1161 T HN -0.117 nan 8.240 nan 0.000 0.483 1162 F N 0.468 120.289 119.950 -0.215 0.000 2.293 1162 F HA 0.158 4.685 4.527 0.000 0.000 0.297 1162 F C 0.965 176.429 175.800 -0.560 0.000 1.089 1162 F CA 0.808 58.564 58.000 -0.406 0.000 1.377 1162 F CB -0.139 38.568 39.000 -0.488 0.000 1.051 1162 F HN 0.697 nan 8.300 nan 0.000 0.511 1163 Y N 0.569 120.822 120.300 -0.079 0.000 2.344 1163 Y HA 0.139 4.689 4.550 -0.000 0.000 0.261 1163 Y C -0.413 175.306 175.900 -0.301 0.000 1.080 1163 Y CA 0.453 58.457 58.100 -0.161 0.000 1.151 1163 Y CB -1.924 36.533 38.460 -0.005 0.000 1.059 1163 Y HN -0.219 nan 8.280 nan 0.000 0.490 1164 P HA -0.091 nan 4.420 nan 0.000 0.217 1164 P C 1.451 178.472 177.300 -0.465 0.000 1.150 1164 P CA 2.184 65.141 63.100 -0.238 0.000 0.832 1164 P CB -0.219 31.397 31.700 -0.140 0.000 0.787 1165 G N -0.189 108.237 108.800 -0.622 0.000 2.598 1165 G HA2 -0.181 3.779 3.960 0.000 0.000 0.215 1165 G HA3 -0.181 3.779 3.960 0.000 0.000 0.215 1165 G C 1.322 175.779 174.900 -0.738 0.000 1.131 1165 G CA 0.230 44.703 45.100 -1.044 0.000 0.785 1165 G HN 0.367 nan 8.290 nan 0.000 0.539 1166 Q N -0.485 118.870 119.800 -0.742 0.000 2.188 1166 Q HA 0.200 4.540 4.340 0.000 0.000 0.212 1166 Q C -0.059 175.604 176.000 -0.561 0.000 0.846 1166 Q CA -0.316 54.826 55.803 -1.101 0.000 0.989 1166 Q CB 0.458 28.467 28.738 -1.214 0.000 1.114 1166 Q HN 0.539 nan 8.270 nan 0.000 0.488 1167 E N 1.667 121.655 120.200 -0.353 0.000 2.228 1167 E HA -0.240 4.110 4.350 0.000 0.000 0.213 1167 E C -0.891 175.539 176.600 -0.283 0.000 1.282 1167 E CA 0.218 56.462 56.400 -0.260 0.000 0.707 1167 E CB -0.350 29.347 29.700 -0.005 0.000 1.150 1167 E HN 0.332 nan 8.360 nan 0.000 0.362 1168 R N 0.279 120.593 120.500 -0.310 0.000 2.254 1168 R HA 0.188 4.528 4.340 0.000 0.000 0.318 1168 R C 0.276 176.458 176.300 -0.197 0.000 1.031 1168 R CA -0.199 55.813 56.100 -0.146 0.000 0.905 1168 R CB 0.511 30.776 30.300 -0.059 0.000 1.050 1168 R HN 0.216 nan 8.270 nan 0.000 0.456 1169 Y N -0.320 120.009 120.300 0.048 0.000 2.478 1169 Y HA 0.020 4.570 4.550 -0.000 0.000 0.261 1169 Y C 0.720 176.645 175.900 0.042 0.000 1.127 1169 Y CA -0.023 58.101 58.100 0.040 0.000 1.288 1169 Y CB 0.461 38.935 38.460 0.023 0.000 1.084 1169 Y HN 0.495 nan 8.280 nan 0.000 0.530 1170 D N 1.437 121.948 120.400 0.184 0.000 2.619 1170 D HA 0.140 4.780 4.640 0.000 0.000 0.224 1170 D C -0.075 176.282 176.300 0.094 0.000 1.133 1170 D CA 0.140 54.221 54.000 0.135 0.000 1.017 1170 D CB -0.170 40.710 40.800 0.133 0.000 1.077 1170 D HN 0.239 nan 8.370 nan 0.000 0.503 1171 T N -1.790 112.790 114.554 0.044 0.000 2.778 1171 T HA 0.152 4.502 4.350 0.000 0.000 0.293 1171 T C 0.902 175.605 174.700 0.005 0.000 1.144 1171 T CA -0.826 61.253 62.100 -0.035 0.000 1.010 1171 T CB 0.326 69.150 68.868 -0.072 0.000 1.325 1171 T HN 0.132 nan 8.240 nan 0.000 0.515 1172 Y N 1.347 121.579 120.300 -0.113 0.000 2.165 1172 Y HA -0.133 4.418 4.550 0.000 0.000 0.286 1172 Y C 2.714 178.593 175.900 -0.034 0.000 1.155 1172 Y CA 2.606 60.663 58.100 -0.071 0.000 1.164 1172 Y CB -0.207 38.203 38.460 -0.085 0.000 0.978 1172 Y HN 0.732 nan 8.280 nan 0.000 0.513 1173 S N -1.039 114.568 115.700 -0.156 0.000 2.458 1173 S HA 0.173 4.643 4.470 0.000 0.000 0.223 1173 S C 1.774 176.313 174.600 -0.102 0.000 1.019 1173 S CA 0.568 58.648 58.200 -0.201 0.000 0.937 1173 S CB -0.316 62.867 63.200 -0.027 0.000 0.788 1173 S HN 0.987 nan 8.310 nan 0.000 0.511 1174 G N 2.024 110.808 108.800 -0.027 0.000 2.153 1174 G HA2 -0.302 3.658 3.960 0.000 0.000 0.252 1174 G HA3 -0.302 3.658 3.960 0.000 0.000 0.252 1174 G C -0.028 174.965 174.900 0.155 0.000 0.994 1174 G CA 0.466 45.601 45.100 0.059 0.000 0.698 1174 G HN 1.024 nan 8.290 nan 0.000 0.521 1175 R N -1.571 118.987 120.500 0.096 0.000 2.808 1175 R HA 0.780 5.120 4.340 0.000 0.000 0.272 1175 R C -1.443 174.867 176.300 0.018 0.000 0.995 1175 R CA -0.886 55.294 56.100 0.134 0.000 0.917 1175 R CB 1.907 32.264 30.300 0.095 0.000 1.217 1175 R HN 0.297 nan 8.270 nan 0.000 0.471 1176 V N 2.418 122.357 119.914 0.042 0.000 2.540 1176 V HA 0.270 4.390 4.120 0.000 0.000 0.302 1176 V C 0.145 176.294 176.094 0.093 0.000 1.035 1176 V CA -1.032 61.248 62.300 -0.034 0.000 0.873 1176 V CB 1.704 33.384 31.823 -0.239 0.000 0.992 1176 V HN 0.675 nan 8.190 nan 0.000 0.428 1177 V N 5.942 125.930 119.914 0.125 0.000 2.843 1177 V HA -0.028 4.092 4.120 0.000 0.000 0.305 1177 V C 1.954 178.152 176.094 0.173 0.000 1.120 1177 V CA 0.910 63.309 62.300 0.164 0.000 1.254 1177 V CB 0.685 32.637 31.823 0.215 0.000 0.901 1177 V HN 0.990 nan 8.190 nan 0.000 0.503 1178 R N 3.777 124.354 120.500 0.129 0.000 2.133 1178 R HA -0.285 4.055 4.340 0.000 0.000 0.245 1178 R C 1.965 178.312 176.300 0.078 0.000 1.137 1178 R CA 2.827 58.984 56.100 0.096 0.000 0.947 1178 R CB -0.679 29.666 30.300 0.075 0.000 0.865 1178 R HN 1.012 nan 8.270 nan 0.000 0.437 1179 H N -0.781 118.274 119.070 -0.024 0.000 2.394 1179 H HA -0.173 4.383 4.556 0.000 0.000 0.297 1179 H C 1.256 176.409 175.328 -0.292 0.000 1.113 1179 H CA 2.447 58.390 56.048 -0.176 0.000 1.277 1179 H CB -0.304 29.306 29.762 -0.253 0.000 1.370 1179 H HN 0.301 nan 8.280 nan 0.000 0.506 1180 F N -0.157 119.763 119.950 -0.051 0.000 2.727 1180 F HA 0.221 4.748 4.527 0.000 0.000 0.302 1180 F C 1.004 176.767 175.800 -0.062 0.000 1.097 1180 F CA -0.196 57.747 58.000 -0.094 0.000 1.330 1180 F CB 0.289 39.284 39.000 -0.008 0.000 1.084 1180 F HN -0.137 nan 8.300 nan 0.000 0.578 1181 K N 0.481 120.940 120.400 0.097 0.000 2.412 1181 K HA 0.271 4.591 4.320 0.000 0.000 0.284 1181 K C 1.131 177.755 176.600 0.039 0.000 1.046 1181 K CA 0.851 57.210 56.287 0.119 0.000 0.999 1181 K CB 0.247 32.815 32.500 0.113 0.000 0.941 1181 K HN 0.346 nan 8.250 nan 0.000 0.474 1182 G N 2.135 110.978 108.800 0.071 0.000 2.162 1182 G HA2 -0.334 3.626 3.960 0.000 0.000 0.260 1182 G HA3 -0.334 3.626 3.960 0.000 0.000 0.260 1182 G C 0.789 175.623 174.900 -0.110 0.000 0.976 1182 G CA 0.860 45.954 45.100 -0.010 0.000 0.655 1182 G HN 0.717 nan 8.290 nan 0.000 0.533 1183 S N -0.782 114.858 115.700 -0.101 0.000 2.406 1183 S HA 0.072 4.542 4.470 0.000 0.000 0.228 1183 S C 2.261 176.632 174.600 -0.382 0.000 1.020 1183 S CA 1.554 59.557 58.200 -0.329 0.000 0.965 1183 S CB -0.241 62.921 63.200 -0.064 0.000 0.798 1183 S HN 0.730 nan 8.310 nan 0.000 0.488 1184 M N 1.700 121.322 119.600 0.037 0.000 2.086 1184 M HA -0.101 4.379 4.480 0.000 0.000 0.261 1184 M C 2.359 178.683 176.300 0.040 0.000 1.067 1184 M CA 2.113 57.534 55.300 0.202 0.000 1.116 1184 M CB -0.322 32.452 32.600 0.291 0.000 1.348 1184 M HN 0.489 nan 8.290 nan 0.000 0.407 1185 E N -0.002 120.189 120.200 -0.014 0.000 2.130 1185 E HA -0.257 4.093 4.350 0.000 0.000 0.196 1185 E C 1.853 178.393 176.600 -0.100 0.000 0.998 1185 E CA 1.551 57.928 56.400 -0.038 0.000 0.806 1185 E CB -0.064 29.614 29.700 -0.035 0.000 0.738 1185 E HN 0.579 nan 8.360 nan 0.000 0.459 1186 E N -0.321 119.727 120.200 -0.252 0.000 2.047 1186 E HA -0.176 4.174 4.350 0.000 0.000 0.191 1186 E C 1.868 178.357 176.600 -0.186 0.000 0.987 1186 E CA 1.255 57.461 56.400 -0.323 0.000 0.799 1186 E CB -0.273 29.083 29.700 -0.572 0.000 0.752 1186 E HN 0.503 nan 8.360 nan 0.000 0.449 1187 W N 1.281 122.578 121.300 -0.006 0.000 2.363 1187 W HA -0.170 4.490 4.660 0.000 0.000 0.296 1187 W C 2.578 179.063 176.519 -0.058 0.000 1.212 1187 W CA 0.197 57.516 57.345 -0.044 0.000 1.260 1187 W CB -0.308 29.091 29.460 -0.102 0.000 1.131 1187 W HN 0.180 nan 8.180 nan 0.000 0.530 1188 Q N 0.684 120.565 119.800 0.137 0.000 2.030 1188 Q HA -0.231 4.109 4.340 0.000 0.000 0.204 1188 Q C 2.498 178.533 176.000 0.059 0.000 0.986 1188 Q CA 2.479 58.324 55.803 0.069 0.000 0.843 1188 Q CB -0.589 28.174 28.738 0.041 0.000 0.904 1188 Q HN 0.280 nan 8.270 nan 0.000 0.420 1189 A N -0.089 122.754 122.820 0.038 0.000 2.019 1189 A HA -0.157 4.163 4.320 0.000 0.000 0.219 1189 A C 1.811 179.423 177.584 0.045 0.000 1.164 1189 A CA 1.360 53.412 52.037 0.026 0.000 0.644 1189 A CB -0.375 18.624 19.000 -0.001 0.000 0.805 1189 A HN 0.406 nan 8.150 nan 0.000 0.449 1190 M N -1.483 118.165 119.600 0.080 0.000 2.561 1190 M HA 0.171 4.651 4.480 0.000 0.000 0.238 1190 M C 1.308 177.659 176.300 0.086 0.000 1.131 1190 M CA 0.750 56.109 55.300 0.099 0.000 1.046 1190 M CB 0.300 33.005 32.600 0.174 0.000 1.532 1190 M HN 0.621 nan 8.290 nan 0.000 0.497 1191 G N 0.608 109.454 108.800 0.076 0.000 2.157 1191 G HA2 -0.202 3.758 3.960 0.000 0.000 0.248 1191 G HA3 -0.202 3.758 3.960 0.000 0.000 0.248 1191 G C 0.082 175.010 174.900 0.046 0.000 0.979 1191 G CA -0.200 44.939 45.100 0.064 0.000 0.650 1191 G HN 0.300 nan 8.290 nan 0.000 0.529 1192 V N 1.660 121.599 119.914 0.042 0.000 2.673 1192 V HA 0.184 4.304 4.120 0.000 0.000 0.303 1192 V C 1.873 177.926 176.094 -0.069 0.000 1.046 1192 V CA 1.195 63.478 62.300 -0.028 0.000 1.126 1192 V CB 1.222 33.014 31.823 -0.051 0.000 0.934 1192 V HN 0.398 nan 8.190 nan 0.000 0.487 1193 M N 3.045 122.586 119.600 -0.097 0.000 2.287 1193 M HA 0.101 4.581 4.480 0.000 0.000 0.266 1193 M C 0.598 176.797 176.300 -0.167 0.000 1.079 1193 M CA 1.053 56.280 55.300 -0.122 0.000 1.146 1193 M CB 0.034 32.580 32.600 -0.091 0.000 1.374 1193 M HN 0.968 nan 8.290 nan 0.000 0.435 1194 N N -1.678 116.901 118.700 -0.202 0.000 3.185 1194 N HA 0.157 4.897 4.740 0.000 0.000 0.238 1194 N C -1.975 173.373 175.510 -0.270 0.000 1.451 1194 N CA -0.679 52.255 53.050 -0.193 0.000 0.888 1194 N CB 1.049 39.480 38.487 -0.094 0.000 1.413 1194 N HN 0.013 nan 8.380 nan 0.000 0.511 1195 Y N -0.336 119.915 120.300 -0.082 0.000 2.360 1195 Y HA 0.452 5.002 4.550 -0.000 0.000 0.337 1195 Y C 0.362 176.210 175.900 -0.086 0.000 1.039 1195 Y CA -0.315 57.723 58.100 -0.104 0.000 1.109 1195 Y CB 1.635 40.016 38.460 -0.131 0.000 1.201 1195 Y HN 0.769 nan 8.280 nan 0.000 0.458 1196 E N 0.406 120.671 120.200 0.108 0.000 2.421 1196 E HA 0.473 4.823 4.350 0.000 0.000 0.265 1196 E C -1.033 175.592 176.600 0.042 0.000 0.990 1196 E CA -0.803 55.633 56.400 0.060 0.000 0.874 1196 E CB 1.085 30.807 29.700 0.036 0.000 1.646 1196 E HN 0.539 nan 8.360 nan 0.000 0.451 1197 M N -0.476 119.142 119.600 0.031 0.000 2.414 1197 M HA 0.355 4.835 4.480 0.000 0.000 0.357 1197 M C -0.207 176.101 176.300 0.013 0.000 1.059 1197 M CA 0.215 55.527 55.300 0.020 0.000 0.959 1197 M CB 0.663 33.280 32.600 0.028 0.000 1.522 1197 M HN 0.512 nan 8.290 nan 0.000 0.551 1198 E N -0.830 119.376 120.200 0.010 0.000 2.535 1198 E HA 0.067 4.417 4.350 0.000 0.000 0.216 1198 E C 1.798 178.393 176.600 -0.009 0.000 0.845 1198 E CA 0.570 56.971 56.400 0.002 0.000 1.306 1198 E CB 0.391 30.094 29.700 0.004 0.000 1.291 1198 E HN 0.301 nan 8.360 nan 0.000 0.635 1199 S N 0.884 116.580 115.700 -0.006 0.000 2.382 1199 S HA -0.108 4.362 4.470 0.000 0.000 0.228 1199 S C 2.224 176.815 174.600 -0.014 0.000 1.027 1199 S CA 0.972 59.165 58.200 -0.012 0.000 0.991 1199 S CB -0.325 62.869 63.200 -0.009 0.000 0.823 1199 S HN 0.233 nan 8.310 nan 0.000 0.469 1200 A N 1.842 124.658 122.820 -0.006 0.000 1.902 1200 A HA -0.052 4.268 4.320 0.000 0.000 0.217 1200 A C 2.429 180.018 177.584 0.007 0.000 1.181 1200 A CA 2.132 54.174 52.037 0.008 0.000 0.623 1200 A CB -1.639 17.371 19.000 0.018 0.000 0.818 1200 A HN 0.559 nan 8.150 nan 0.000 0.443 1201 T N -0.067 114.484 114.554 -0.006 0.000 2.737 1201 T HA -0.106 4.244 4.350 0.000 0.000 0.265 1201 T C 1.869 176.495 174.700 -0.124 0.000 1.038 1201 T CA 1.466 63.549 62.100 -0.028 0.000 1.144 1201 T CB -0.386 68.474 68.868 -0.013 0.000 0.866 1201 T HN 0.338 nan 8.240 nan 0.000 0.434 1202 L N 1.090 122.244 121.223 -0.115 0.000 1.989 1202 L HA 0.006 4.346 4.340 0.000 0.000 0.211 1202 L C 2.173 178.948 176.870 -0.159 0.000 1.071 1202 L CA 1.710 56.447 54.840 -0.172 0.000 0.749 1202 L CB -0.697 41.294 42.059 -0.112 0.000 0.890 1202 L HN 0.242 nan 8.230 nan 0.000 0.431 1203 L N -1.360 119.820 121.223 -0.072 0.000 2.093 1203 L HA -0.168 4.172 4.340 0.000 0.000 0.208 1203 L C 2.342 179.208 176.870 -0.007 0.000 1.085 1203 L CA 1.576 56.402 54.840 -0.022 0.000 0.755 1203 L CB -1.121 40.948 42.059 0.017 0.000 0.904 1203 L HN 0.298 nan 8.230 nan 0.000 0.435 1204 T N 0.562 115.106 114.554 -0.016 0.000 2.737 1204 T HA -0.200 4.150 4.350 0.000 0.000 0.265 1204 T C 1.865 176.466 174.700 -0.165 0.000 1.038 1204 T CA 1.865 63.973 62.100 0.013 0.000 1.144 1204 T CB -0.204 68.700 68.868 0.060 0.000 0.866 1204 T HN 0.440 nan 8.240 nan 0.000 0.434 1205 M N 0.168 119.537 119.600 -0.385 0.000 2.254 1205 M HA 0.007 4.487 4.480 0.000 0.000 0.265 1205 M C 2.189 178.225 176.300 -0.441 0.000 1.066 1205 M CA 1.451 56.291 55.300 -0.768 0.000 1.123 1205 M CB -0.949 30.685 32.600 -1.611 0.000 1.388 1205 M HN 0.172 nan 8.290 nan 0.000 0.425 1206 C N 1.399 120.526 119.300 -0.287 0.000 2.500 1206 C HA 0.179 4.639 4.460 0.000 0.000 0.279 1206 C C 3.260 178.233 174.990 -0.029 0.000 1.288 1206 C CA 0.936 59.867 59.018 -0.146 0.000 1.710 1206 C CB -1.157 26.526 27.740 -0.095 0.000 2.052 1206 C HN 0.763 nan 8.230 nan 0.000 0.488 1207 A N 0.995 123.833 122.820 0.030 0.000 2.019 1207 A HA -0.137 4.183 4.320 0.000 0.000 0.219 1207 A C 2.161 179.842 177.584 0.163 0.000 1.164 1207 A CA 2.168 54.299 52.037 0.157 0.000 0.644 1207 A CB -0.571 18.610 19.000 0.302 0.000 0.805 1207 A HN 0.712 nan 8.150 nan 0.000 0.449 1208 S N -2.058 113.621 115.700 -0.034 0.000 2.556 1208 S HA 0.171 4.641 4.470 0.000 0.000 0.216 1208 S C 0.967 175.528 174.600 -0.065 0.000 0.970 1208 S CA 0.234 58.331 58.200 -0.171 0.000 0.912 1208 S CB 0.079 62.980 63.200 -0.497 0.000 0.790 1208 S HN 0.624 nan 8.310 nan 0.000 0.504 1209 Q N 0.211 119.993 119.800 -0.029 0.000 2.086 1209 Q HA 0.343 4.683 4.340 0.000 0.000 0.220 1209 Q C 0.690 176.708 176.000 0.030 0.000 0.792 1209 Q CA 0.088 55.891 55.803 -0.001 0.000 1.062 1209 Q CB 1.112 29.836 28.738 -0.023 0.000 1.198 1209 Q HN 0.641 nan 8.270 nan 0.000 0.466 1210 G N 1.464 110.292 108.800 0.047 0.000 2.147 1210 G HA2 -0.268 3.692 3.960 0.000 0.000 0.244 1210 G HA3 -0.268 3.692 3.960 0.000 0.000 0.244 1210 G C -0.084 174.859 174.900 0.073 0.000 1.005 1210 G CA 0.117 45.254 45.100 0.061 0.000 0.713 1210 G HN 0.258 nan 8.290 nan 0.000 0.515 1211 L N -0.068 121.203 121.223 0.079 0.000 2.322 1211 L HA 0.591 4.931 4.340 0.000 0.000 0.279 1211 L C 1.007 177.957 176.870 0.133 0.000 1.036 1211 L CA -1.083 53.837 54.840 0.133 0.000 0.807 1211 L CB 1.266 43.433 42.059 0.181 0.000 1.226 1211 L HN 0.055 nan 8.230 nan 0.000 0.433 1212 R N 2.106 122.696 120.500 0.149 0.000 2.308 1212 R HA 0.697 5.037 4.340 0.000 0.000 0.305 1212 R C -0.579 175.823 176.300 0.170 0.000 1.053 1212 R CA -0.380 55.795 56.100 0.125 0.000 0.957 1212 R CB 1.350 31.699 30.300 0.082 0.000 1.022 1212 R HN 0.709 nan 8.270 nan 0.000 0.461 1213 A N 1.596 124.490 122.820 0.123 0.000 2.475 1213 A HA 0.797 5.117 4.320 0.000 0.000 0.301 1213 A C -0.646 176.981 177.584 0.072 0.000 1.059 1213 A CA -0.637 51.473 52.037 0.121 0.000 0.710 1213 A CB 2.189 21.235 19.000 0.075 0.000 1.288 1213 A HN 0.757 nan 8.150 nan 0.000 0.408 1214 G N 0.529 109.367 108.800 0.064 0.000 2.605 1214 G HA2 0.640 4.600 3.960 0.000 0.000 0.296 1214 G HA3 0.640 4.600 3.960 0.000 0.000 0.296 1214 G C -1.163 173.756 174.900 0.031 0.000 1.304 1214 G CA -0.488 44.632 45.100 0.033 0.000 0.941 1214 G HN 0.572 nan 8.290 nan 0.000 0.475 1215 M N 1.293 120.903 119.600 0.017 0.000 2.326 1215 M HA 0.549 5.029 4.480 0.000 0.000 0.292 1215 M C -1.638 174.669 176.300 0.011 0.000 1.081 1215 M CA -0.764 54.545 55.300 0.016 0.000 0.919 1215 M CB 1.842 34.449 32.600 0.012 0.000 1.634 1215 M HN 0.484 nan 8.290 nan 0.000 0.451 1216 V N 3.207 123.129 119.914 0.013 0.000 2.888 1216 V HA 0.988 5.108 4.120 0.000 0.000 0.309 1216 V C -1.603 174.501 176.094 0.017 0.000 1.114 1216 V CA -0.238 62.070 62.300 0.013 0.000 0.940 1216 V CB 2.021 33.849 31.823 0.009 0.000 1.021 1216 V HN 1.013 nan 8.190 nan 0.000 0.426 1217 A N 3.813 126.646 122.820 0.021 0.000 2.572 1217 A HA 0.936 5.256 4.320 0.000 0.000 0.295 1217 A C -0.245 177.357 177.584 0.029 0.000 1.072 1217 A CA -0.159 51.891 52.037 0.022 0.000 0.691 1217 A CB 1.912 20.923 19.000 0.018 0.000 1.291 1217 A HN 1.619 nan 8.150 nan 0.000 0.404 1218 G N -0.069 108.748 108.800 0.027 0.000 2.348 1218 G HA2 0.530 4.490 3.960 0.000 0.000 0.312 1218 G HA3 0.530 4.490 3.960 0.000 0.000 0.312 1218 G C -0.572 174.339 174.900 0.018 0.000 1.126 1218 G CA -0.385 44.732 45.100 0.028 0.000 0.865 1218 G HN 0.920 nan 8.290 nan 0.000 0.474 1219 V N 3.347 123.270 119.914 0.015 0.000 2.427 1219 V HA 0.114 4.234 4.120 0.000 0.000 0.268 1219 V C 1.257 177.351 176.094 -0.000 0.000 1.046 1219 V CA 0.035 62.337 62.300 0.003 0.000 0.970 1219 V CB 0.607 32.426 31.823 -0.006 0.000 1.001 1219 V HN 0.773 nan 8.190 nan 0.000 0.476 1220 I N 3.452 124.025 120.570 0.005 0.000 3.939 1220 I HA 0.468 4.638 4.170 0.000 0.000 0.313 1220 I C 0.381 176.503 176.117 0.008 0.000 1.274 1220 I CA 0.501 61.804 61.300 0.006 0.000 1.301 1220 I CB 0.831 38.839 38.000 0.014 0.000 1.105 1220 I HN 0.412 nan 8.210 nan 0.000 0.427 1221 V N 1.050 120.969 119.914 0.008 0.000 3.087 1221 V HA 0.458 4.578 4.120 0.000 0.000 0.306 1221 V C -1.694 174.398 176.094 -0.004 0.000 1.187 1221 V CA -0.652 61.652 62.300 0.007 0.000 0.999 1221 V CB 2.402 34.237 31.823 0.021 0.000 1.049 1221 V HN 0.336 nan 8.190 nan 0.000 0.431 1222 N N 3.812 122.508 118.700 -0.007 0.000 2.446 1222 N HA 0.365 5.105 4.740 0.000 0.000 0.265 1222 N C 0.579 176.089 175.510 -0.001 0.000 0.975 1222 N CA -0.595 52.446 53.050 -0.015 0.000 0.928 1222 N CB 1.659 40.130 38.487 -0.027 0.000 1.160 1222 N HN 0.562 nan 8.380 nan 0.000 0.495 1223 R N 0.740 121.244 120.500 0.006 0.000 2.237 1223 R HA -0.051 4.289 4.340 0.000 0.000 0.219 1223 R C 1.388 177.706 176.300 0.029 0.000 1.080 1223 R CA 0.891 57.007 56.100 0.026 0.000 0.995 1223 R CB -0.721 29.615 30.300 0.060 0.000 0.875 1223 R HN 0.651 nan 8.270 nan 0.000 0.462 1224 T N -1.527 113.036 114.554 0.014 0.000 3.215 1224 T HA -0.001 4.349 4.350 0.000 0.000 0.254 1224 T C 1.297 176.006 174.700 0.016 0.000 1.149 1224 T CA 0.417 62.527 62.100 0.016 0.000 1.042 1224 T CB 0.132 69.004 68.868 0.008 0.000 0.966 1224 T HN 0.345 nan 8.240 nan 0.000 0.534 1225 Q N -0.859 118.951 119.800 0.016 0.000 2.215 1225 Q HA 0.357 4.697 4.340 0.000 0.000 0.257 1225 Q C 0.188 176.201 176.000 0.022 0.000 0.792 1225 Q CA -0.188 55.625 55.803 0.017 0.000 0.958 1225 Q CB 0.840 29.585 28.738 0.012 0.000 1.158 1225 Q HN 0.490 nan 8.270 nan 0.000 0.490 1226 Q N -0.304 119.511 119.800 0.025 0.000 2.472 1226 Q HA 0.277 4.617 4.340 0.000 0.000 0.281 1226 Q C -0.483 175.536 176.000 0.031 0.000 0.997 1226 Q CA -0.200 55.622 55.803 0.031 0.000 0.828 1226 Q CB 2.729 31.484 28.738 0.029 0.000 1.443 1226 Q HN 0.054 nan 8.270 nan 0.000 0.390 1227 E N 0.825 121.050 120.200 0.042 0.000 2.038 1227 E HA 0.106 4.456 4.350 0.000 0.000 0.190 1227 E C 0.169 176.790 176.600 0.035 0.000 0.967 1227 E CA 0.423 56.839 56.400 0.027 0.000 0.816 1227 E CB 0.498 30.233 29.700 0.059 0.000 0.784 1227 E HN 0.361 nan 8.360 nan 0.000 0.456 1228 I N 3.404 124.026 120.570 0.087 0.000 2.371 1228 I HA 0.149 4.319 4.170 0.000 0.000 0.290 1228 I C -1.890 174.278 176.117 0.086 0.000 1.028 1228 I CA -2.127 59.247 61.300 0.124 0.000 1.345 1228 I CB 0.104 38.189 38.000 0.142 0.000 1.407 1228 I HN -0.043 nan 8.210 nan 0.000 0.501 1235 K N 0.768 121.151 120.400 -0.029 0.000 2.288 1235 K HA -0.010 4.310 4.320 0.000 0.000 0.201 1235 K C 1.541 178.125 176.600 -0.026 0.000 1.048 1235 K CA 1.423 57.696 56.287 -0.024 0.000 0.956 1235 K CB 0.097 32.585 32.500 -0.020 0.000 0.746 1235 K HN 0.511 nan 8.250 nan 0.000 0.461 1236 Q N -0.641 119.133 119.800 -0.044 0.000 2.389 1236 Q HA -0.045 4.295 4.340 0.000 0.000 0.204 1236 Q C 1.353 177.284 176.000 -0.114 0.000 0.944 1236 Q CA 1.001 56.768 55.803 -0.059 0.000 0.908 1236 Q CB 0.460 29.149 28.738 -0.081 0.000 1.002 1236 Q HN 0.314 nan 8.270 nan 0.000 0.493 1237 T N 1.052 115.541 114.554 -0.108 0.000 2.770 1237 T HA -0.152 4.198 4.350 0.000 0.000 0.263 1237 T C 1.569 176.265 174.700 -0.006 0.000 1.039 1237 T CA 1.548 63.584 62.100 -0.106 0.000 1.142 1237 T CB -0.053 68.772 68.868 -0.071 0.000 0.868 1237 T HN 0.537 nan 8.240 nan 0.000 0.435 1238 E N 0.828 121.028 120.200 0.000 0.000 2.274 1238 E HA 0.031 4.381 4.350 0.000 0.000 0.194 1238 E C 2.226 178.846 176.600 0.033 0.000 0.996 1238 E CA 0.915 57.325 56.400 0.018 0.000 0.840 1238 E CB -0.293 29.408 29.700 0.002 0.000 0.772 1238 E HN 0.162 nan 8.360 nan 0.000 0.491 1239 S N -0.137 115.586 115.700 0.039 0.000 2.399 1239 S HA -0.159 4.311 4.470 0.000 0.000 0.231 1239 S C 1.682 176.357 174.600 0.125 0.000 1.022 1239 S CA 0.979 59.216 58.200 0.061 0.000 0.983 1239 S CB -0.373 62.861 63.200 0.058 0.000 0.803 1239 S HN 0.465 nan 8.310 nan 0.000 0.480 1240 H N 0.084 119.146 119.070 -0.014 0.000 2.299 1240 H HA -0.015 4.541 4.556 -0.000 0.000 0.302 1240 H C 2.483 177.803 175.328 -0.013 0.000 1.078 1240 H CA 1.072 57.112 56.048 -0.013 0.000 1.323 1240 H CB -0.163 29.593 29.762 -0.009 0.000 1.381 1240 H HN 0.466 nan 8.280 nan 0.000 0.498 1241 A N 0.585 123.481 122.820 0.126 0.000 1.908 1241 A HA -0.143 4.177 4.320 0.000 0.000 0.218 1241 A C 2.665 180.263 177.584 0.024 0.000 1.181 1241 A CA 1.579 53.650 52.037 0.057 0.000 0.627 1241 A CB -0.848 18.180 19.000 0.047 0.000 0.818 1241 A HN 0.211 nan 8.150 nan 0.000 0.445 1242 V N -0.277 119.650 119.914 0.022 0.000 2.307 1242 V HA -0.251 3.869 4.120 0.000 0.000 0.245 1242 V C 2.496 178.584 176.094 -0.010 0.000 1.045 1242 V CA 2.403 64.703 62.300 0.001 0.000 1.024 1242 V CB -0.633 31.186 31.823 -0.008 0.000 0.651 1242 V HN 0.584 nan 8.190 nan 0.000 0.449 1243 K N -0.187 120.207 120.400 -0.010 0.000 2.074 1243 K HA -0.174 4.146 4.320 0.000 0.000 0.209 1243 K C 1.940 178.515 176.600 -0.042 0.000 1.048 1243 K CA 1.779 58.046 56.287 -0.033 0.000 0.926 1243 K CB -0.325 32.143 32.500 -0.052 0.000 0.713 1243 K HN 0.405 nan 8.250 nan 0.000 0.444 1244 I N -0.477 120.069 120.570 -0.039 0.000 2.179 1244 I HA -0.264 3.906 4.170 0.000 0.000 0.242 1244 I C 2.181 178.281 176.117 -0.029 0.000 1.088 1244 I CA 0.878 62.153 61.300 -0.041 0.000 1.357 1244 I CB -0.190 37.789 38.000 -0.034 0.000 1.051 1244 I HN 0.038 nan 8.210 nan 0.000 0.409 1245 V N 0.289 120.192 119.914 -0.018 0.000 2.427 1245 V HA -0.199 3.921 4.120 0.000 0.000 0.248 1245 V C 2.359 178.442 176.094 -0.018 0.000 1.051 1245 V CA 1.619 63.911 62.300 -0.013 0.000 1.048 1245 V CB 0.158 31.979 31.823 -0.003 0.000 0.666 1245 V HN 0.211 nan 8.190 nan 0.000 0.456 1246 V N 0.105 120.007 119.914 -0.021 0.000 2.358 1246 V HA -0.203 3.917 4.120 0.000 0.000 0.246 1246 V C 2.522 178.601 176.094 -0.026 0.000 1.047 1246 V CA 2.263 64.550 62.300 -0.022 0.000 1.035 1246 V CB -0.659 31.150 31.823 -0.024 0.000 0.658 1246 V HN 0.676 nan 8.190 nan 0.000 0.452 1247 E N 0.772 120.954 120.200 -0.031 0.000 2.150 1247 E HA -0.129 4.221 4.350 0.000 0.000 0.193 1247 E C 2.063 178.642 176.600 -0.034 0.000 0.985 1247 E CA 1.482 57.862 56.400 -0.034 0.000 0.814 1247 E CB -0.388 29.287 29.700 -0.042 0.000 0.752 1247 E HN 0.511 nan 8.360 nan 0.000 0.466 1248 A N 0.935 123.734 122.820 -0.034 0.000 1.873 1248 A HA -0.004 4.316 4.320 0.000 0.000 0.215 1248 A C 2.485 180.049 177.584 -0.032 0.000 1.186 1248 A CA 1.967 53.982 52.037 -0.036 0.000 0.616 1248 A CB -1.139 17.840 19.000 -0.035 0.000 0.823 1248 A HN 0.386 nan 8.150 nan 0.000 0.442 1249 A N -0.227 122.576 122.820 -0.027 0.000 1.903 1249 A HA -0.269 4.051 4.320 0.000 0.000 0.219 1249 A C 2.218 179.786 177.584 -0.027 0.000 1.191 1249 A CA 2.078 54.099 52.037 -0.027 0.000 0.638 1249 A CB -0.585 18.401 19.000 -0.023 0.000 0.823 1249 A HN 0.535 nan 8.150 nan 0.000 0.451 1250 R N -0.852 119.633 120.500 -0.025 0.000 2.113 1250 R HA -0.167 4.173 4.340 0.000 0.000 0.244 1250 R C 2.328 178.614 176.300 -0.024 0.000 1.142 1250 R CA 2.101 58.187 56.100 -0.023 0.000 0.953 1250 R CB -0.217 30.069 30.300 -0.023 0.000 0.860 1250 R HN 0.549 nan 8.270 nan 0.000 0.438 1251 R N -0.401 120.082 120.500 -0.028 0.000 2.276 1251 R HA 0.028 4.368 4.340 0.000 0.000 0.203 1251 R C 1.421 177.704 176.300 -0.028 0.000 1.017 1251 R CA 0.592 56.674 56.100 -0.029 0.000 1.010 1251 R CB 0.195 30.473 30.300 -0.036 0.000 0.900 1251 R HN 0.222 nan 8.270 nan 0.000 0.469 1252 L N 0.184 121.390 121.223 -0.028 0.000 2.640 1252 L HA 0.206 4.546 4.340 0.000 0.000 0.230 1252 L C 0.466 177.322 176.870 -0.024 0.000 1.123 1252 L CA -0.196 54.628 54.840 -0.026 0.000 0.900 1252 L CB 0.193 42.235 42.059 -0.029 0.000 1.146 1252 L HN 0.063 nan 8.230 nan 0.000 0.484 1253 L N 0.000 121.209 121.223 -0.023 0.000 2.949 1253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 1253 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 1253 L CB 0.000 42.047 42.059 -0.021 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502