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 1gw7_1_G DATA FIRST_RESID 1015 DATA SEQUENCE LRNQQAMAAN LQARQIVLQQ SYPVIQQVET QTFDPANRSV FDVTPANVGI DATA SEQUENCE VKGFLVKVTA AITNNHATEA VALTDFGPAN LVQRVIYYDP DNQRHTETSG DATA SEQUENCE WHLHFVNTAK QGAPFLSSMV TDSPIKYGDV MNVIDAPATI AAGATGELTM DATA SEQUENCE YYWVPLAYSE TDLTGAVLAN VPQSKQRLKL EFANNNTAFA AVGANPLEAI DATA SEQUENCE YQGAGAADCE FEEISYTVYQ SYLDQLPVGQ NGYILPLIDL STLYNLENSA DATA SEQUENCE QAGLTPNVDF VVQYANLYRY LSTIAVFDNG GSFNAGTDIN YLSQRTANFS DATA SEQUENCE DTRKLDPKTW AAQTRRRIAT DFPKGVYYCD NRDKPIYTLQ YGNVGFVVNP DATA SEQUENCE KTVNQNARLL MGYEYFTSRT E 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 1015 L HA 0.000 nan 4.340 nan 0.000 0.249 1015 L C 0.000 176.872 176.870 0.003 0.000 1.165 1015 L CA 0.000 54.843 54.840 0.005 0.000 0.813 1015 L CB 0.000 42.062 42.059 0.005 0.000 0.961 1016 R N 0.143 120.645 120.500 0.003 0.000 2.366 1016 R HA 0.247 4.587 4.340 0.000 0.000 0.201 1016 R C 1.587 177.887 176.300 -0.001 0.000 1.057 1016 R CA 2.221 58.322 56.100 0.001 0.000 1.086 1016 R CB -1.965 28.336 30.300 0.003 0.000 0.914 1016 R HN 1.968 nan 8.270 nan 0.000 0.476 1017 N N -0.456 118.243 118.700 -0.002 0.000 2.135 1017 N HA -0.173 4.567 4.740 0.000 0.000 0.186 1017 N C 2.488 177.992 175.510 -0.009 0.000 1.027 1017 N CA 1.915 54.961 53.050 -0.006 0.000 0.849 1017 N CB -0.757 37.727 38.487 -0.005 0.000 1.002 1017 N HN 0.745 nan 8.380 nan 0.000 0.425 1018 Q N 0.241 120.037 119.800 -0.007 0.000 2.133 1018 Q HA -0.326 4.014 4.340 0.000 0.000 0.208 1018 Q C 2.140 178.134 176.000 -0.009 0.000 0.991 1018 Q CA 2.248 58.046 55.803 -0.009 0.000 0.867 1018 Q CB -1.079 27.656 28.738 -0.006 0.000 0.911 1018 Q HN 0.954 nan 8.270 nan 0.000 0.417 1019 Q N -0.546 119.251 119.800 -0.006 0.000 2.079 1019 Q HA 0.060 4.400 4.340 0.000 0.000 0.200 1019 Q C 2.567 178.563 176.000 -0.007 0.000 0.974 1019 Q CA 1.203 57.003 55.803 -0.005 0.000 0.840 1019 Q CB -0.239 28.498 28.738 -0.002 0.000 0.898 1019 Q HN 0.724 nan 8.270 nan 0.000 0.430 1020 A N 1.263 124.078 122.820 -0.008 0.000 1.877 1020 A HA -0.172 4.148 4.320 0.000 0.000 0.216 1020 A C 2.141 179.714 177.584 -0.018 0.000 1.186 1020 A CA 1.462 53.493 52.037 -0.011 0.000 0.620 1020 A CB -0.511 18.482 19.000 -0.011 0.000 0.822 1020 A HN 0.269 nan 8.150 nan 0.000 0.443 1021 M N -0.602 118.985 119.600 -0.022 0.000 2.132 1021 M HA -0.108 4.372 4.480 0.000 0.000 0.263 1021 M C 2.558 178.842 176.300 -0.026 0.000 1.065 1021 M CA 1.345 56.627 55.300 -0.031 0.000 1.122 1021 M CB -0.516 32.064 32.600 -0.034 0.000 1.365 1021 M HN 0.479 nan 8.290 nan 0.000 0.411 1022 A N 0.666 123.476 122.820 -0.018 0.000 1.902 1022 A HA -0.065 4.255 4.320 0.000 0.000 0.217 1022 A C 2.399 179.976 177.584 -0.012 0.000 1.181 1022 A CA 2.041 54.069 52.037 -0.014 0.000 0.623 1022 A CB -0.896 18.098 19.000 -0.010 0.000 0.818 1022 A HN 0.491 nan 8.150 nan 0.000 0.443 1023 A N 0.218 123.032 122.820 -0.010 0.000 1.873 1023 A HA -0.196 4.124 4.320 0.000 0.000 0.215 1023 A C 1.959 179.537 177.584 -0.009 0.000 1.186 1023 A CA 2.050 54.083 52.037 -0.006 0.000 0.616 1023 A CB -0.851 18.148 19.000 -0.003 0.000 0.823 1023 A HN 0.656 nan 8.150 nan 0.000 0.442 1024 N N -0.274 118.417 118.700 -0.016 0.000 2.036 1024 N HA -0.200 4.540 4.740 0.000 0.000 0.195 1024 N C 1.582 177.077 175.510 -0.025 0.000 1.037 1024 N CA 1.902 54.939 53.050 -0.023 0.000 0.855 1024 N CB -0.363 38.102 38.487 -0.036 0.000 1.033 1024 N HN 0.294 nan 8.380 nan 0.000 0.423 1025 L N 1.088 122.294 121.223 -0.028 0.000 2.079 1025 L HA -0.134 4.206 4.340 0.000 0.000 0.210 1025 L C 2.337 179.197 176.870 -0.018 0.000 1.081 1025 L CA 1.784 56.608 54.840 -0.027 0.000 0.752 1025 L CB -1.152 40.891 42.059 -0.027 0.000 0.896 1025 L HN 0.432 nan 8.230 nan 0.000 0.433 1026 Q N -0.918 118.874 119.800 -0.013 0.000 2.079 1026 Q HA -0.187 4.153 4.340 0.000 0.000 0.200 1026 Q C 2.118 178.115 176.000 -0.005 0.000 0.974 1026 Q CA 1.706 57.505 55.803 -0.007 0.000 0.840 1026 Q CB -0.178 28.558 28.738 -0.003 0.000 0.898 1026 Q HN 0.624 nan 8.270 nan 0.000 0.430 1027 A N 1.347 124.165 122.820 -0.004 0.000 1.933 1027 A HA -0.208 4.112 4.320 0.000 0.000 0.218 1027 A C 2.134 179.714 177.584 -0.006 0.000 1.175 1027 A CA 1.459 53.496 52.037 0.000 0.000 0.628 1027 A CB -0.678 18.324 19.000 0.004 0.000 0.814 1027 A HN 0.435 nan 8.150 nan 0.000 0.444 1028 R N -0.277 120.215 120.500 -0.013 0.000 2.073 1028 R HA -0.187 4.153 4.340 0.000 0.000 0.234 1028 R C 2.285 178.575 176.300 -0.016 0.000 1.134 1028 R CA 1.878 57.967 56.100 -0.018 0.000 0.952 1028 R CB -0.356 29.929 30.300 -0.024 0.000 0.850 1028 R HN 0.694 nan 8.270 nan 0.000 0.433 1029 Q N 0.101 119.893 119.800 -0.014 0.000 2.124 1029 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 1029 Q C 2.274 178.268 176.000 -0.010 0.000 0.977 1029 Q CA 1.526 57.321 55.803 -0.013 0.000 0.850 1029 Q CB -0.091 28.640 28.738 -0.011 0.000 0.901 1029 Q HN 0.475 nan 8.270 nan 0.000 0.429 1030 I N 0.170 120.737 120.570 -0.005 0.000 2.252 1030 I HA -0.233 3.937 4.170 0.000 0.000 0.245 1030 I C 2.308 178.423 176.117 -0.002 0.000 1.102 1030 I CA 0.748 62.049 61.300 0.001 0.000 1.385 1030 I CB -0.270 37.736 38.000 0.008 0.000 1.064 1030 I HN 0.008 nan 8.210 nan 0.000 0.414 1031 V N 1.204 121.113 119.914 -0.009 0.000 2.295 1031 V HA -0.276 3.844 4.120 0.000 0.000 0.246 1031 V C 2.407 178.488 176.094 -0.022 0.000 1.049 1031 V CA 1.762 64.050 62.300 -0.019 0.000 1.024 1031 V CB -0.438 31.369 31.823 -0.027 0.000 0.648 1031 V HN 0.360 nan 8.190 nan 0.000 0.447 1032 L N -0.368 120.840 121.223 -0.025 0.000 2.083 1032 L HA -0.240 4.100 4.340 0.000 0.000 0.209 1032 L C 2.624 179.473 176.870 -0.034 0.000 1.083 1032 L CA 1.994 56.812 54.840 -0.036 0.000 0.752 1032 L CB -0.564 41.473 42.059 -0.036 0.000 0.899 1032 L HN 0.439 nan 8.230 nan 0.000 0.433 1033 Q N -0.608 119.181 119.800 -0.019 0.000 2.083 1033 Q HA -0.193 4.147 4.340 0.000 0.000 0.198 1033 Q C 2.166 178.169 176.000 0.006 0.000 0.969 1033 Q CA 1.135 56.932 55.803 -0.009 0.000 0.838 1033 Q CB 0.214 28.950 28.738 -0.003 0.000 0.900 1033 Q HN 0.458 nan 8.270 nan 0.000 0.436 1034 Q N 0.299 120.106 119.800 0.010 0.000 2.250 1034 Q HA 0.053 4.393 4.340 0.000 0.000 0.200 1034 Q C 1.242 177.267 176.000 0.043 0.000 0.941 1034 Q CA 0.749 56.569 55.803 0.028 0.000 0.872 1034 Q CB 0.424 29.177 28.738 0.026 0.000 0.965 1034 Q HN 0.346 nan 8.270 nan 0.000 0.480 1035 S N -0.561 115.153 115.700 0.024 0.000 2.634 1035 S HA 0.318 4.788 4.470 0.000 0.000 0.261 1035 S C -0.578 174.066 174.600 0.074 0.000 1.271 1035 S CA -0.631 57.594 58.200 0.042 0.000 0.985 1035 S CB 0.778 63.980 63.200 0.004 0.000 0.968 1035 S HN 0.205 nan 8.310 nan 0.000 0.568 1036 Y N 0.837 121.117 120.300 -0.034 0.000 2.391 1036 Y HA 0.525 5.075 4.550 0.000 0.000 0.341 1036 Y C -2.829 173.015 175.900 -0.093 0.000 0.965 1036 Y CA -2.284 55.785 58.100 -0.051 0.000 1.067 1036 Y CB 1.908 40.344 38.460 -0.041 0.000 1.199 1036 Y HN 0.517 nan 8.280 nan 0.000 0.450 1037 P HA 0.234 nan 4.420 nan 0.000 0.276 1037 P C -1.401 175.743 177.300 -0.261 0.000 1.230 1037 P CA 0.031 62.914 63.100 -0.362 0.000 0.776 1037 P CB 1.056 32.516 31.700 -0.400 0.000 0.888 1038 V N 4.739 124.439 119.914 -0.357 0.000 2.760 1038 V HA 0.466 4.586 4.120 0.000 0.000 0.309 1038 V C -0.274 175.629 176.094 -0.317 0.000 1.077 1038 V CA -0.633 61.449 62.300 -0.364 0.000 0.910 1038 V CB 2.344 33.754 31.823 -0.689 0.000 1.008 1038 V HN 0.472 nan 8.190 nan 0.000 0.424 1039 I N 3.706 124.228 120.570 -0.080 0.000 2.418 1039 I HA 0.627 4.797 4.170 0.000 0.000 0.287 1039 I C -0.744 175.491 176.117 0.196 0.000 1.008 1039 I CA -0.093 61.252 61.300 0.074 0.000 1.104 1039 I CB 1.518 39.554 38.000 0.060 0.000 1.264 1039 I HN 0.844 nan 8.210 nan 0.000 0.438 1040 Q N 6.676 126.679 119.800 0.340 0.000 2.331 1040 Q HA 0.296 4.636 4.340 0.000 0.000 0.272 1040 Q C -1.447 174.779 176.000 0.376 0.000 1.062 1040 Q CA -0.756 55.268 55.803 0.369 0.000 0.806 1040 Q CB 2.245 31.200 28.738 0.360 0.000 1.312 1040 Q HN 0.728 nan 8.270 nan 0.000 0.431 1041 Q N 2.044 121.998 119.800 0.257 0.000 2.311 1041 Q HA 0.167 4.507 4.340 0.000 0.000 0.272 1041 Q C 0.202 176.213 176.000 0.019 0.000 1.012 1041 Q CA 0.176 55.924 55.803 -0.091 0.000 0.891 1041 Q CB 0.979 29.587 28.738 -0.217 0.000 1.201 1041 Q HN 0.643 nan 8.270 nan 0.000 0.391 1042 V N 0.088 120.009 119.914 0.011 0.000 3.572 1042 V HA 0.431 4.551 4.120 0.000 0.000 0.260 1042 V C 0.073 176.181 176.094 0.023 0.000 1.324 1042 V CA 0.424 62.760 62.300 0.060 0.000 1.068 1042 V CB 0.402 32.302 31.823 0.128 0.000 0.837 1042 V HN 0.834 nan 8.190 nan 0.000 0.450 1043 E N -0.620 119.571 120.200 -0.014 0.000 2.400 1043 E HA 0.520 4.870 4.350 0.000 0.000 0.285 1043 E C -1.582 174.962 176.600 -0.095 0.000 1.005 1043 E CA -0.295 56.094 56.400 -0.019 0.000 0.816 1043 E CB 2.193 31.935 29.700 0.071 0.000 1.220 1043 E HN 0.270 nan 8.360 nan 0.000 0.426 1044 T N 2.558 116.994 114.554 -0.198 0.000 2.909 1044 T HA 0.559 4.909 4.350 0.000 0.000 0.299 1044 T C -1.391 173.007 174.700 -0.504 0.000 1.073 1044 T CA -0.642 61.248 62.100 -0.350 0.000 0.999 1044 T CB 1.779 70.513 68.868 -0.223 0.000 1.098 1044 T HN 0.475 nan 8.240 nan 0.000 0.477 1045 Q N 0.794 120.111 119.800 -0.805 0.000 2.438 1045 Q HA 0.555 4.895 4.340 0.000 0.000 0.272 1045 Q C -1.824 173.880 176.000 -0.493 0.000 0.994 1045 Q CA -0.583 54.825 55.803 -0.659 0.000 0.887 1045 Q CB 1.929 30.168 28.738 -0.831 0.000 1.432 1045 Q HN 0.657 nan 8.270 nan 0.000 0.392 1046 T N 3.627 118.051 114.554 -0.217 0.000 2.841 1046 T HA 0.814 5.164 4.350 0.000 0.000 0.283 1046 T C -1.158 173.562 174.700 0.032 0.000 1.000 1046 T CA -0.400 61.612 62.100 -0.146 0.000 0.977 1046 T CB 0.468 69.253 68.868 -0.138 0.000 0.979 1046 T HN 0.475 nan 8.240 nan 0.000 0.446 1047 F N -0.493 119.362 119.950 -0.158 0.000 2.745 1047 F HA 0.741 5.268 4.527 0.000 0.000 0.316 1047 F C -1.729 174.054 175.800 -0.028 0.000 1.155 1047 F CA -1.262 56.710 58.000 -0.046 0.000 0.937 1047 F CB 1.242 40.281 39.000 0.065 0.000 1.361 1047 F HN 0.330 nan 8.300 nan 0.000 0.472 1048 D N 1.376 121.858 120.400 0.137 0.000 2.381 1048 D HA 0.427 5.067 4.640 0.000 0.000 0.235 1048 D C -2.168 174.269 176.300 0.228 0.000 1.068 1048 D CA -2.409 51.623 54.000 0.053 0.000 0.832 1048 D CB 2.289 43.142 40.800 0.087 0.000 1.101 1048 D HN 0.204 nan 8.370 nan 0.000 0.515 1049 P HA -0.118 nan 4.420 nan 0.000 0.220 1049 P C 0.906 178.332 177.300 0.210 0.000 1.144 1049 P CA 1.008 64.246 63.100 0.230 0.000 0.800 1049 P CB 0.312 32.020 31.700 0.014 0.000 0.772 1050 A N -0.729 122.201 122.820 0.183 0.000 2.015 1050 A HA -0.175 4.145 4.320 0.000 0.000 0.219 1050 A C 2.058 179.715 177.584 0.122 0.000 1.163 1050 A CA 1.587 53.714 52.037 0.149 0.000 0.646 1050 A CB -0.830 18.247 19.000 0.129 0.000 0.806 1050 A HN 0.163 nan 8.150 nan 0.000 0.448 1051 N N -1.415 117.367 118.700 0.137 0.000 2.387 1051 N HA 0.101 4.841 4.740 0.000 0.000 0.176 1051 N C 0.752 176.302 175.510 0.067 0.000 1.022 1051 N CA 0.579 53.688 53.050 0.100 0.000 0.883 1051 N CB 0.202 38.755 38.487 0.110 0.000 1.019 1051 N HN 0.559 nan 8.380 nan 0.000 0.435 1052 R N -0.743 119.821 120.500 0.107 0.000 2.664 1052 R HA 0.262 4.602 4.340 0.000 0.000 0.266 1052 R C -0.925 175.375 176.300 -0.001 0.000 1.046 1052 R CA -0.070 56.000 56.100 -0.049 0.000 0.885 1052 R CB 0.730 30.889 30.300 -0.234 0.000 1.254 1052 R HN 0.059 nan 8.270 nan 0.000 0.465 1053 S N 0.098 115.718 115.700 -0.133 0.000 2.800 1053 S HA 0.214 4.684 4.470 0.000 0.000 0.266 1053 S C -0.677 173.938 174.600 0.024 0.000 1.029 1053 S CA -0.318 57.934 58.200 0.086 0.000 1.302 1053 S CB 0.857 64.184 63.200 0.211 0.000 1.212 1053 S HN 0.146 nan 8.310 nan 0.000 0.683 1054 V N 2.884 122.581 119.914 -0.362 0.000 2.448 1054 V HA 0.677 4.797 4.120 0.000 0.000 0.295 1054 V C -1.342 174.366 176.094 -0.644 0.000 1.025 1054 V CA -0.422 61.699 62.300 -0.298 0.000 0.859 1054 V CB 0.997 32.686 31.823 -0.223 0.000 0.988 1054 V HN 0.425 nan 8.190 nan 0.000 0.431 1055 F N 2.146 122.024 119.950 -0.121 0.000 2.576 1055 F HA 0.509 5.036 4.527 0.000 0.000 0.313 1055 F C -0.070 175.649 175.800 -0.135 0.000 1.078 1055 F CA -0.844 57.085 58.000 -0.117 0.000 0.921 1055 F CB 1.965 40.910 39.000 -0.091 0.000 1.232 1055 F HN 0.382 nan 8.300 nan 0.000 0.459 1056 D N 2.593 123.029 120.400 0.059 0.000 2.453 1056 D HA 0.361 5.001 4.640 0.000 0.000 0.238 1056 D C -1.177 175.129 176.300 0.010 0.000 1.088 1056 D CA -0.086 53.904 54.000 -0.016 0.000 0.854 1056 D CB 1.649 42.416 40.800 -0.056 0.000 1.076 1056 D HN 0.219 nan 8.370 nan 0.000 0.533 1057 V N 3.365 123.259 119.914 -0.035 0.000 2.546 1057 V HA 0.276 4.396 4.120 0.000 0.000 0.284 1057 V C 0.686 176.742 176.094 -0.064 0.000 1.050 1057 V CA -0.227 62.057 62.300 -0.027 0.000 0.981 1057 V CB 1.682 33.459 31.823 -0.077 0.000 0.990 1057 V HN 0.530 nan 8.190 nan 0.000 0.474 1058 T N 7.274 121.815 114.554 -0.023 0.000 2.801 1058 T HA 0.385 4.735 4.350 0.000 0.000 0.306 1058 T C -2.332 172.374 174.700 0.009 0.000 1.020 1058 T CA -0.868 61.219 62.100 -0.022 0.000 0.948 1058 T CB 1.201 70.064 68.868 -0.010 0.000 0.962 1058 T HN 0.474 nan 8.240 nan 0.000 0.465 1059 P HA 0.386 nan 4.420 nan 0.000 0.273 1059 P C -0.712 176.647 177.300 0.098 0.000 1.250 1059 P CA -0.563 62.622 63.100 0.141 0.000 0.793 1059 P CB 0.472 32.359 31.700 0.311 0.000 1.011 1060 A N 1.168 124.039 122.820 0.084 0.000 2.327 1060 A HA 0.228 4.548 4.320 0.000 0.000 0.283 1060 A C 0.013 177.573 177.584 -0.040 0.000 1.127 1060 A CA -0.473 51.562 52.037 -0.004 0.000 0.810 1060 A CB -0.382 18.583 19.000 -0.059 0.000 1.066 1060 A HN 0.572 nan 8.150 nan 0.000 0.492 1061 N N 0.920 119.598 118.700 -0.037 0.000 2.868 1061 N HA 0.361 5.101 4.740 0.000 0.000 0.252 1061 N C -1.163 174.299 175.510 -0.080 0.000 1.130 1061 N CA -0.029 53.002 53.050 -0.033 0.000 1.026 1061 N CB 0.932 39.419 38.487 0.000 0.000 1.335 1061 N HN 0.390 nan 8.380 nan 0.000 0.516 1062 V N 1.551 121.360 119.914 -0.176 0.000 2.733 1062 V HA 0.676 4.796 4.120 0.000 0.000 0.306 1062 V C 0.637 176.626 176.094 -0.176 0.000 1.084 1062 V CA 0.174 62.347 62.300 -0.211 0.000 0.905 1062 V CB 0.943 32.539 31.823 -0.379 0.000 1.010 1062 V HN 0.758 nan 8.190 nan 0.000 0.424 1063 G N 6.259 115.040 108.800 -0.032 0.000 2.594 1063 G HA2 -0.266 3.694 3.960 0.000 0.000 0.297 1063 G HA3 -0.266 3.694 3.960 0.000 0.000 0.297 1063 G C -0.096 174.811 174.900 0.012 0.000 1.273 1063 G CA 0.543 45.654 45.100 0.017 0.000 0.974 1063 G HN 1.247 nan 8.290 nan 0.000 0.552 1064 I N 0.766 121.364 120.570 0.047 0.000 2.312 1064 I HA 0.374 4.544 4.170 0.000 0.000 0.290 1064 I C 0.391 176.548 176.117 0.067 0.000 1.008 1064 I CA -0.722 60.598 61.300 0.032 0.000 1.226 1064 I CB 1.568 39.573 38.000 0.008 0.000 1.371 1064 I HN 0.320 nan 8.210 nan 0.000 0.468 1065 V N 7.704 127.628 119.914 0.018 0.000 2.461 1065 V HA 0.183 4.303 4.120 0.000 0.000 0.275 1065 V C 0.924 176.957 176.094 -0.101 0.000 1.047 1065 V CA -0.282 61.992 62.300 -0.044 0.000 0.955 1065 V CB 1.118 32.868 31.823 -0.120 0.000 0.988 1065 V HN 0.753 nan 8.190 nan 0.000 0.471 1066 K N 2.926 123.267 120.400 -0.097 0.000 2.276 1066 K HA 0.458 4.778 4.320 0.000 0.000 0.198 1066 K C 0.807 177.316 176.600 -0.152 0.000 1.052 1066 K CA 0.722 56.992 56.287 -0.030 0.000 0.984 1066 K CB 0.764 33.331 32.500 0.112 0.000 0.836 1066 K HN 0.899 nan 8.250 nan 0.000 0.490 1067 G N 0.221 108.713 108.800 -0.512 0.000 2.320 1067 G HA2 0.390 4.350 3.960 0.000 0.000 0.296 1067 G HA3 0.390 4.350 3.960 0.000 0.000 0.296 1067 G C -1.975 172.059 174.900 -1.444 0.000 1.306 1067 G CA -0.995 43.439 45.100 -1.110 0.000 0.836 1067 G HN -0.002 nan 8.290 nan 0.000 0.517 1068 F N -0.456 118.893 119.950 -1.003 0.000 2.547 1068 F HA 0.642 5.169 4.527 0.000 0.000 0.316 1068 F C -0.225 175.438 175.800 -0.229 0.000 1.121 1068 F CA -0.806 56.951 58.000 -0.405 0.000 0.911 1068 F CB 2.397 41.260 39.000 -0.228 0.000 1.179 1068 F HN 0.413 nan 8.300 nan 0.000 0.443 1069 L N 4.619 126.097 121.223 0.425 0.000 2.265 1069 L HA 0.697 5.037 4.340 0.000 0.000 0.289 1069 L C -1.033 176.175 176.870 0.563 0.000 1.033 1069 L CA -0.479 54.750 54.840 0.647 0.000 0.814 1069 L CB 1.073 43.565 42.059 0.721 0.000 1.203 1069 L HN 0.400 nan 8.230 nan 0.000 0.423 1070 V N 5.645 125.855 119.914 0.493 0.000 2.347 1070 V HA 0.399 4.519 4.120 0.000 0.000 0.280 1070 V C 0.043 176.332 176.094 0.324 0.000 1.021 1070 V CA -0.789 61.741 62.300 0.383 0.000 0.847 1070 V CB 1.181 33.162 31.823 0.263 0.000 0.990 1070 V HN 0.713 nan 8.190 nan 0.000 0.444 1071 K N 4.285 124.792 120.400 0.178 0.000 2.211 1071 K HA 0.702 5.022 4.320 0.000 0.000 0.275 1071 K C -1.387 175.211 176.600 -0.004 0.000 1.024 1071 K CA -0.387 55.750 56.287 -0.251 0.000 0.887 1071 K CB 1.591 33.952 32.500 -0.231 0.000 1.084 1071 K HN 0.504 nan 8.250 nan 0.000 0.463 1072 V N 3.534 123.431 119.914 -0.028 0.000 2.531 1072 V HA 0.359 4.479 4.120 0.000 0.000 0.301 1072 V C -0.376 175.749 176.094 0.051 0.000 1.034 1072 V CA -0.833 61.551 62.300 0.140 0.000 0.865 1072 V CB 1.670 33.703 31.823 0.350 0.000 0.995 1072 V HN 1.000 nan 8.190 nan 0.000 0.424 1073 T N 1.325 115.898 114.554 0.033 0.000 2.908 1073 T HA 0.957 5.307 4.350 0.000 0.000 0.290 1073 T C -0.489 174.228 174.700 0.028 0.000 1.034 1073 T CA -0.541 61.578 62.100 0.030 0.000 1.010 1073 T CB 2.271 71.144 68.868 0.008 0.000 1.068 1073 T HN 1.353 nan 8.240 nan 0.000 0.481 1074 A N 0.832 123.704 122.820 0.085 0.000 2.594 1074 A HA 0.908 5.228 4.320 0.000 0.000 0.295 1074 A C -0.953 176.722 177.584 0.152 0.000 1.071 1074 A CA -0.807 51.311 52.037 0.135 0.000 0.685 1074 A CB 1.269 20.455 19.000 0.309 0.000 1.285 1074 A HN 1.657 nan 8.150 nan 0.000 0.405 1075 A N 1.363 124.276 122.820 0.154 0.000 2.318 1075 A HA 0.765 5.085 4.320 0.000 0.000 0.317 1075 A C -0.831 176.819 177.584 0.110 0.000 1.159 1075 A CA -0.288 51.808 52.037 0.098 0.000 0.799 1075 A CB 0.367 19.395 19.000 0.047 0.000 1.194 1075 A HN 0.747 nan 8.150 nan 0.000 0.479 1076 I N 2.097 122.677 120.570 0.017 0.000 2.406 1076 I HA 0.340 4.510 4.170 0.000 0.000 0.290 1076 I C -0.261 175.759 176.117 -0.161 0.000 0.999 1076 I CA -0.227 61.008 61.300 -0.107 0.000 1.124 1076 I CB 2.410 40.325 38.000 -0.143 0.000 1.289 1076 I HN 0.559 nan 8.210 nan 0.000 0.441 1077 T N 4.459 118.901 114.554 -0.186 0.000 2.771 1077 T HA 0.214 4.564 4.350 0.000 0.000 0.281 1077 T C -0.054 174.490 174.700 -0.260 0.000 0.982 1077 T CA -0.536 61.457 62.100 -0.179 0.000 0.978 1077 T CB 0.800 69.602 68.868 -0.110 0.000 0.930 1077 T HN 0.384 nan 8.240 nan 0.000 0.447 1078 N N 2.957 121.517 118.700 -0.233 0.000 2.521 1078 N HA 0.073 4.813 4.740 0.000 0.000 0.236 1078 N C 0.654 176.084 175.510 -0.132 0.000 1.067 1078 N CA -0.244 52.669 53.050 -0.228 0.000 0.939 1078 N CB 0.188 38.553 38.487 -0.205 0.000 1.201 1078 N HN 0.665 nan 8.380 nan 0.000 0.511 1079 N N 2.273 120.898 118.700 -0.125 0.000 2.383 1079 N HA -0.109 4.631 4.740 0.000 0.000 0.192 1079 N C -0.192 175.286 175.510 -0.054 0.000 1.141 1079 N CA -0.204 52.796 53.050 -0.083 0.000 0.851 1079 N CB 0.104 38.538 38.487 -0.088 0.000 0.976 1079 N HN 0.566 nan 8.380 nan 0.000 0.465 1080 H N -0.307 118.695 119.070 -0.112 0.000 2.852 1080 H HA 0.167 4.723 4.556 0.000 0.000 0.362 1080 H C 1.241 176.530 175.328 -0.065 0.000 1.122 1080 H CA 0.741 56.739 56.048 -0.084 0.000 1.419 1080 H CB 1.343 31.054 29.762 -0.085 0.000 1.401 1080 H HN 0.177 nan 8.280 nan 0.000 0.609 1081 A N 2.406 125.020 122.820 -0.344 0.000 1.898 1081 A HA -0.111 4.209 4.320 0.000 0.000 0.216 1081 A C 1.881 179.494 177.584 0.047 0.000 1.181 1081 A CA 2.077 54.033 52.037 -0.136 0.000 0.620 1081 A CB -0.464 18.414 19.000 -0.204 0.000 0.819 1081 A HN 0.870 nan 8.150 nan 0.000 0.442 1082 T N -4.826 109.892 114.554 0.272 0.000 3.046 1082 T HA 0.206 4.556 4.350 0.000 0.000 0.270 1082 T C -0.074 174.703 174.700 0.129 0.000 0.920 1082 T CA -0.296 61.911 62.100 0.178 0.000 0.874 1082 T CB 0.204 69.139 68.868 0.111 0.000 1.214 1082 T HN 0.176 nan 8.240 nan 0.000 0.536 1083 E N 1.602 121.866 120.200 0.106 0.000 2.204 1083 E HA 0.755 5.105 4.350 0.000 0.000 0.276 1083 E C -0.251 176.237 176.600 -0.186 0.000 0.974 1083 E CA -0.449 55.821 56.400 -0.218 0.000 0.815 1083 E CB 2.015 31.363 29.700 -0.587 0.000 1.119 1083 E HN 0.516 nan 8.360 nan 0.000 0.393 1084 A N 1.913 124.659 122.820 -0.123 0.000 2.247 1084 A HA 0.729 5.049 4.320 0.000 0.000 0.313 1084 A C -0.115 177.415 177.584 -0.091 0.000 1.109 1084 A CA -0.543 51.437 52.037 -0.095 0.000 0.890 1084 A CB 0.786 19.755 19.000 -0.052 0.000 1.239 1084 A HN 0.399 nan 8.150 nan 0.000 0.506 1085 V N -4.083 115.796 119.914 -0.059 0.000 3.078 1085 V HA 0.950 5.070 4.120 0.000 0.000 0.311 1085 V C -0.244 175.933 176.094 0.138 0.000 1.138 1085 V CA -0.332 61.983 62.300 0.024 0.000 1.007 1085 V CB 1.126 32.965 31.823 0.028 0.000 1.045 1085 V HN 1.912 nan 8.190 nan 0.000 0.432 1086 A N 2.434 125.393 122.820 0.231 0.000 2.454 1086 A HA 0.851 5.171 4.320 0.000 0.000 0.302 1086 A C -0.561 177.154 177.584 0.218 0.000 1.079 1086 A CA -0.993 51.198 52.037 0.257 0.000 0.731 1086 A CB 1.465 20.529 19.000 0.107 0.000 1.299 1086 A HN 1.105 nan 8.150 nan 0.000 0.413 1087 L N 1.885 123.125 121.223 0.029 0.000 2.543 1087 L HA 0.122 4.462 4.340 0.000 0.000 0.285 1087 L C 1.489 178.259 176.870 -0.167 0.000 1.236 1087 L CA 0.167 54.816 54.840 -0.318 0.000 0.871 1087 L CB 0.367 42.273 42.059 -0.255 0.000 1.121 1087 L HN 0.996 nan 8.230 nan 0.000 0.501 1088 T N -1.882 112.545 114.554 -0.213 0.000 2.770 1088 T HA 0.085 4.435 4.350 0.000 0.000 0.281 1088 T C 0.758 175.369 174.700 -0.147 0.000 0.981 1088 T CA -0.789 61.204 62.100 -0.179 0.000 0.955 1088 T CB 0.788 69.514 68.868 -0.236 0.000 1.060 1088 T HN 0.504 nan 8.240 nan 0.000 0.531 1089 D N -0.222 120.064 120.400 -0.190 0.000 2.178 1089 D HA -0.017 4.623 4.640 0.000 0.000 0.201 1089 D C 1.521 177.963 176.300 0.237 0.000 0.980 1089 D CA 1.067 55.047 54.000 -0.033 0.000 0.842 1089 D CB -0.227 40.506 40.800 -0.112 0.000 0.948 1089 D HN 0.472 nan 8.370 nan 0.000 0.472 1090 F N 0.179 120.055 119.950 -0.124 0.000 2.473 1090 F HA 0.246 4.773 4.527 0.000 0.000 0.294 1090 F C 2.185 177.931 175.800 -0.090 0.000 1.103 1090 F CA 0.408 58.371 58.000 -0.061 0.000 1.442 1090 F CB -0.943 37.989 39.000 -0.113 0.000 1.097 1090 F HN -0.028 nan 8.300 nan 0.000 0.547 1091 G N 2.686 111.503 108.800 0.028 0.000 2.672 1091 G HA2 -0.339 3.621 3.960 0.000 0.000 0.324 1091 G HA3 -0.339 3.621 3.960 0.000 0.000 0.324 1091 G C -1.116 173.756 174.900 -0.047 0.000 1.286 1091 G CA 0.559 45.596 45.100 -0.106 0.000 1.004 1091 G HN 0.209 nan 8.290 nan 0.000 0.548 1092 P HA 0.038 nan 4.420 nan 0.000 0.228 1092 P C 1.605 178.916 177.300 0.019 0.000 1.151 1092 P CA 2.275 65.384 63.100 0.015 0.000 0.770 1092 P CB -0.379 31.323 31.700 0.004 0.000 0.786 1093 A N 0.057 122.849 122.820 -0.047 0.000 2.172 1093 A HA -0.095 4.225 4.320 0.000 0.000 0.216 1093 A C 1.839 179.558 177.584 0.224 0.000 1.154 1093 A CA 1.001 53.005 52.037 -0.055 0.000 0.701 1093 A CB -0.973 17.886 19.000 -0.235 0.000 0.789 1093 A HN 0.126 nan 8.150 nan 0.000 0.465 1094 N N -0.387 118.443 118.700 0.217 0.000 2.268 1094 N HA 0.185 4.925 4.740 0.000 0.000 0.204 1094 N C 1.052 176.705 175.510 0.238 0.000 1.124 1094 N CA 0.076 53.276 53.050 0.251 0.000 0.838 1094 N CB 0.106 38.721 38.487 0.213 0.000 0.994 1094 N HN 0.467 nan 8.380 nan 0.000 0.489 1095 L N -0.253 121.145 121.223 0.291 0.000 2.201 1095 L HA -0.004 4.336 4.340 0.000 0.000 0.212 1095 L C 0.299 177.347 176.870 0.297 0.000 1.105 1095 L CA 0.784 55.824 54.840 0.333 0.000 0.775 1095 L CB 0.228 42.506 42.059 0.365 0.000 0.913 1095 L HN -0.120 nan 8.230 nan 0.000 0.440 1096 V N -0.100 119.912 119.914 0.164 0.000 2.384 1096 V HA 0.130 4.250 4.120 0.000 0.000 0.287 1096 V C 0.531 176.531 176.094 -0.157 0.000 1.020 1096 V CA -0.551 61.614 62.300 -0.225 0.000 0.850 1096 V CB 1.709 33.082 31.823 -0.749 0.000 0.987 1096 V HN 0.161 nan 8.190 nan 0.000 0.436 1097 Q N 3.505 123.224 119.800 -0.135 0.000 2.123 1097 Q HA 0.194 4.534 4.340 0.000 0.000 0.196 1097 Q C 0.469 176.375 176.000 -0.155 0.000 0.958 1097 Q CA 1.021 56.787 55.803 -0.062 0.000 0.841 1097 Q CB 0.462 29.197 28.738 -0.005 0.000 0.915 1097 Q HN 0.627 nan 8.270 nan 0.000 0.455 1098 R N -1.057 119.301 120.500 -0.237 0.000 2.710 1098 R HA 0.631 4.971 4.340 0.000 0.000 0.270 1098 R C -1.379 174.733 176.300 -0.313 0.000 1.021 1098 R CA -0.519 55.432 56.100 -0.249 0.000 0.889 1098 R CB 2.248 32.450 30.300 -0.165 0.000 1.243 1098 R HN -0.187 nan 8.270 nan 0.000 0.464 1099 V N 2.565 122.312 119.914 -0.280 0.000 2.841 1099 V HA 0.621 4.741 4.120 0.000 0.000 0.310 1099 V C -0.767 175.214 176.094 -0.189 0.000 1.090 1099 V CA -0.678 61.458 62.300 -0.273 0.000 0.930 1099 V CB 2.327 33.964 31.823 -0.310 0.000 1.014 1099 V HN 0.566 nan 8.190 nan 0.000 0.425 1100 I N 3.688 124.167 120.570 -0.152 0.000 2.607 1100 I HA 0.452 4.622 4.170 0.000 0.000 0.290 1100 I C -1.741 174.325 176.117 -0.085 0.000 1.129 1100 I CA -0.704 60.517 61.300 -0.133 0.000 1.042 1100 I CB 2.375 40.308 38.000 -0.113 0.000 1.242 1100 I HN 0.688 nan 8.210 nan 0.000 0.421 1101 Y N 6.251 126.406 120.300 -0.241 0.000 2.376 1101 Y HA 0.593 5.143 4.550 0.000 0.000 0.340 1101 Y C -1.711 174.064 175.900 -0.208 0.000 0.965 1101 Y CA -0.699 57.294 58.100 -0.178 0.000 1.078 1101 Y CB 1.287 39.650 38.460 -0.162 0.000 1.193 1101 Y HN 0.361 nan 8.280 nan 0.000 0.452 1102 Y N 4.656 124.447 120.300 -0.848 0.000 2.364 1102 Y HA 0.294 4.844 4.550 0.000 0.000 0.340 1102 Y C -0.104 175.258 175.900 -0.898 0.000 0.975 1102 Y CA -1.028 56.732 58.100 -0.567 0.000 1.089 1102 Y CB 1.166 39.440 38.460 -0.311 0.000 1.192 1102 Y HN 0.716 nan 8.280 nan 0.000 0.454 1103 D N 2.692 122.945 120.400 -0.246 0.000 2.451 1103 D HA 0.237 4.877 4.640 0.000 0.000 0.259 1103 D C -2.208 174.093 176.300 0.001 0.000 1.201 1103 D CA -2.289 51.664 54.000 -0.077 0.000 1.028 1103 D CB 0.386 41.328 40.800 0.237 0.000 1.095 1103 D HN 0.169 nan 8.370 nan 0.000 0.539 1104 P HA -0.062 nan 4.420 nan 0.000 0.221 1104 P C -0.041 177.285 177.300 0.043 0.000 1.145 1104 P CA 1.015 64.137 63.100 0.037 0.000 0.795 1104 P CB 0.103 31.836 31.700 0.054 0.000 0.775 1105 D N -1.679 118.765 120.400 0.073 0.000 2.358 1105 D HA 0.034 4.674 4.640 0.000 0.000 0.224 1105 D C 0.467 176.812 176.300 0.075 0.000 1.123 1105 D CA 0.050 54.093 54.000 0.070 0.000 0.833 1105 D CB -1.060 39.791 40.800 0.085 0.000 0.946 1105 D HN 0.208 nan 8.370 nan 0.000 0.505 1106 N N 0.634 119.380 118.700 0.076 0.000 2.800 1106 N HA -0.260 4.480 4.740 0.000 0.000 0.250 1106 N C -0.160 175.464 175.510 0.191 0.000 1.078 1106 N CA 0.190 53.303 53.050 0.106 0.000 0.804 1106 N CB -0.425 38.091 38.487 0.049 0.000 1.135 1106 N HN 0.158 nan 8.380 nan 0.000 0.565 1107 Q N 1.618 121.522 119.800 0.173 0.000 2.256 1107 Q HA 0.355 4.695 4.340 0.000 0.000 0.254 1107 Q C -0.518 175.574 176.000 0.153 0.000 0.916 1107 Q CA -0.244 55.645 55.803 0.144 0.000 0.932 1107 Q CB 0.879 29.679 28.738 0.103 0.000 1.207 1107 Q HN 0.182 nan 8.270 nan 0.000 0.426 1108 R N 2.949 123.451 120.500 0.004 0.000 2.441 1108 R HA 0.283 4.623 4.340 0.000 0.000 0.284 1108 R C 0.260 176.568 176.300 0.013 0.000 1.070 1108 R CA -0.143 55.860 56.100 -0.162 0.000 1.047 1108 R CB 0.688 30.775 30.300 -0.355 0.000 1.016 1108 R HN 0.821 nan 8.270 nan 0.000 0.477 1109 H N 0.202 119.235 119.070 -0.062 0.000 5.067 1109 H HA 0.147 4.703 4.556 0.000 0.000 0.118 1109 H C 0.077 175.325 175.328 -0.133 0.000 1.355 1109 H CA -0.364 55.662 56.048 -0.036 0.000 0.741 1109 H CB 0.276 30.087 29.762 0.081 0.000 1.615 1109 H HN 0.380 nan 8.280 nan 0.000 0.266 1110 T N 1.535 116.094 114.554 0.008 0.000 2.916 1110 T HA 0.088 4.438 4.350 0.000 0.000 0.303 1110 T C 0.112 174.747 174.700 -0.108 0.000 1.025 1110 T CA 0.466 62.492 62.100 -0.123 0.000 1.142 1110 T CB 0.317 69.075 68.868 -0.184 0.000 0.947 1110 T HN 0.394 nan 8.240 nan 0.000 0.544 1111 E N 2.211 122.350 120.200 -0.100 0.000 2.642 1111 E HA 0.431 4.781 4.350 0.000 0.000 0.284 1111 E C -0.775 175.782 176.600 -0.071 0.000 1.039 1111 E CA -0.474 55.868 56.400 -0.096 0.000 0.777 1111 E CB 0.911 30.564 29.700 -0.080 0.000 1.473 1111 E HN 0.589 nan 8.360 nan 0.000 0.388 1112 T N 0.980 115.466 114.554 -0.114 0.000 2.671 1112 T HA 0.463 4.813 4.350 0.000 0.000 0.300 1112 T C -0.912 173.655 174.700 -0.223 0.000 1.238 1112 T CA -0.195 61.832 62.100 -0.121 0.000 1.020 1112 T CB 1.049 69.915 68.868 -0.003 0.000 1.503 1112 T HN 0.419 nan 8.240 nan 0.000 0.497 1113 S N -0.050 115.445 115.700 -0.342 0.000 2.617 1113 S HA 0.490 4.960 4.470 0.000 0.000 0.269 1113 S C 1.619 175.955 174.600 -0.440 0.000 1.292 1113 S CA 0.052 57.974 58.200 -0.463 0.000 1.010 1113 S CB 0.862 63.545 63.200 -0.861 0.000 0.944 1113 S HN 1.070 nan 8.310 nan 0.000 0.536 1114 G N 1.077 109.678 108.800 -0.333 0.000 2.418 1114 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 1114 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 1114 G C 1.321 176.211 174.900 -0.018 0.000 1.158 1114 G CA 0.753 45.708 45.100 -0.241 0.000 0.771 1114 G HN 0.960 nan 8.290 nan 0.000 0.545 1115 W N 0.193 121.450 121.300 -0.072 0.000 2.388 1115 W HA -0.022 4.638 4.660 0.000 0.000 0.294 1115 W C 1.784 177.991 176.519 -0.520 0.000 1.212 1115 W CA 0.835 57.952 57.345 -0.381 0.000 1.271 1115 W CB -1.032 28.167 29.460 -0.435 0.000 1.126 1115 W HN 0.416 nan 8.180 nan 0.000 0.535 1116 H N 1.264 119.973 119.070 -0.603 0.000 2.357 1116 H HA -0.180 4.376 4.556 0.000 0.000 0.301 1116 H C 2.350 177.572 175.328 -0.176 0.000 1.082 1116 H CA 1.784 57.611 56.048 -0.370 0.000 1.342 1116 H CB -0.122 29.257 29.762 -0.639 0.000 1.389 1116 H HN 0.118 nan 8.280 nan 0.000 0.511 1117 L N 1.057 122.059 121.223 -0.369 0.000 2.042 1117 L HA -0.216 4.124 4.340 0.000 0.000 0.210 1117 L C 2.587 179.360 176.870 -0.163 0.000 1.076 1117 L CA 2.453 57.111 54.840 -0.304 0.000 0.749 1117 L CB -1.108 40.841 42.059 -0.183 0.000 0.893 1117 L HN 0.374 nan 8.230 nan 0.000 0.432 1118 H N -1.040 117.955 119.070 -0.124 0.000 2.353 1118 H HA -0.186 4.370 4.556 0.000 0.000 0.300 1118 H C 1.929 177.238 175.328 -0.032 0.000 1.090 1118 H CA 2.225 58.195 56.048 -0.131 0.000 1.327 1118 H CB -0.585 29.072 29.762 -0.176 0.000 1.383 1118 H HN 0.473 nan 8.280 nan 0.000 0.508 1119 F N -0.731 119.104 119.950 -0.191 0.000 2.216 1119 F HA -0.162 4.365 4.527 0.000 0.000 0.300 1119 F C 2.537 178.272 175.800 -0.109 0.000 1.085 1119 F CA 0.559 58.498 58.000 -0.102 0.000 1.326 1119 F CB -0.055 38.932 39.000 -0.022 0.000 1.027 1119 F HN 0.087 nan 8.300 nan 0.000 0.497 1120 V N 0.258 120.158 119.914 -0.023 0.000 2.427 1120 V HA -0.287 3.833 4.120 0.000 0.000 0.248 1120 V C 1.667 177.701 176.094 -0.100 0.000 1.051 1120 V CA 1.958 64.227 62.300 -0.051 0.000 1.048 1120 V CB -0.773 30.949 31.823 -0.169 0.000 0.666 1120 V HN 0.377 nan 8.190 nan 0.000 0.456 1121 N N -0.303 118.250 118.700 -0.245 0.000 2.104 1121 N HA -0.191 4.549 4.740 0.000 0.000 0.190 1121 N C 1.835 177.210 175.510 -0.225 0.000 1.024 1121 N CA 1.830 54.615 53.050 -0.442 0.000 0.853 1121 N CB -0.201 37.624 38.487 -1.104 0.000 1.008 1121 N HN 0.419 nan 8.380 nan 0.000 0.424 1122 T N 0.572 115.024 114.554 -0.170 0.000 2.708 1122 T HA -0.089 4.261 4.350 0.000 0.000 0.266 1122 T C 2.058 176.718 174.700 -0.067 0.000 1.037 1122 T CA 1.190 63.258 62.100 -0.052 0.000 1.146 1122 T CB -0.333 68.477 68.868 -0.096 0.000 0.865 1122 T HN 0.331 nan 8.240 nan 0.000 0.435 1123 A N 1.897 124.686 122.820 -0.052 0.000 1.908 1123 A HA -0.153 4.167 4.320 0.000 0.000 0.218 1123 A C 2.277 179.845 177.584 -0.027 0.000 1.181 1123 A CA 1.396 53.365 52.037 -0.113 0.000 0.627 1123 A CB -0.332 18.562 19.000 -0.177 0.000 0.818 1123 A HN 0.290 nan 8.150 nan 0.000 0.445 1124 K N -0.631 119.760 120.400 -0.015 0.000 2.155 1124 K HA -0.138 4.182 4.320 0.000 0.000 0.203 1124 K C 2.145 178.724 176.600 -0.035 0.000 1.052 1124 K CA 1.441 57.709 56.287 -0.031 0.000 0.948 1124 K CB -0.235 32.219 32.500 -0.075 0.000 0.728 1124 K HN 0.766 nan 8.250 nan 0.000 0.448 1125 Q N -0.062 119.735 119.800 -0.005 0.000 2.187 1125 Q HA -0.077 4.263 4.340 0.000 0.000 0.199 1125 Q C 0.651 176.634 176.000 -0.028 0.000 0.957 1125 Q CA 1.310 57.116 55.803 0.005 0.000 0.857 1125 Q CB 0.241 29.033 28.738 0.090 0.000 0.929 1125 Q HN 0.441 nan 8.270 nan 0.000 0.453 1126 G N -0.618 108.158 108.800 -0.040 0.000 2.141 1126 G HA2 -0.162 3.798 3.960 0.000 0.000 0.231 1126 G HA3 -0.162 3.798 3.960 0.000 0.000 0.231 1126 G C -0.061 174.792 174.900 -0.079 0.000 0.984 1126 G CA 0.187 45.255 45.100 -0.054 0.000 0.660 1126 G HN 0.826 nan 8.290 nan 0.000 0.525 1127 A N -1.281 121.489 122.820 -0.083 0.000 2.586 1127 A HA 0.794 5.114 4.320 0.000 0.000 0.291 1127 A C -3.143 174.399 177.584 -0.069 0.000 1.062 1127 A CA -0.761 51.219 52.037 -0.095 0.000 0.666 1127 A CB 0.703 19.659 19.000 -0.074 0.000 1.281 1127 A HN 0.152 nan 8.150 nan 0.000 0.421 1128 P HA 0.118 nan 4.420 nan 0.000 0.258 1128 P C -0.349 177.011 177.300 0.100 0.000 1.172 1128 P CA 0.551 63.660 63.100 0.015 0.000 0.762 1128 P CB -0.159 31.551 31.700 0.018 0.000 0.764 1129 F N 5.765 125.716 119.950 0.002 0.000 2.604 1129 F HA -0.067 4.460 4.527 0.000 0.000 0.393 1129 F C 1.175 176.993 175.800 0.030 0.000 1.043 1129 F CA 0.378 58.389 58.000 0.018 0.000 1.227 1129 F CB -0.402 38.634 39.000 0.060 0.000 1.016 1129 F HN 0.274 nan 8.300 nan 0.000 0.556 1130 L N 3.590 124.442 121.223 -0.619 0.000 3.839 1130 L HA -0.323 4.017 4.340 0.000 0.000 0.416 1130 L C 0.623 177.339 176.870 -0.258 0.000 1.195 1130 L CA 0.557 55.052 54.840 -0.576 0.000 0.946 1130 L CB -2.341 39.223 42.059 -0.825 0.000 1.891 1130 L HN 0.734 nan 8.230 nan 0.000 0.963 1131 S N -1.832 113.781 115.700 -0.145 0.000 2.645 1131 S HA 0.531 5.001 4.470 0.000 0.000 0.266 1131 S C 0.317 174.866 174.600 -0.085 0.000 1.258 1131 S CA -0.028 58.127 58.200 -0.076 0.000 0.990 1131 S CB 2.193 65.374 63.200 -0.032 0.000 0.967 1131 S HN 0.278 nan 8.310 nan 0.000 0.556 1132 S N 1.551 117.218 115.700 -0.056 0.000 2.498 1132 S HA 0.403 4.873 4.470 0.000 0.000 0.324 1132 S C -0.357 174.221 174.600 -0.038 0.000 1.071 1132 S CA -0.836 57.335 58.200 -0.048 0.000 1.113 1132 S CB -0.041 63.142 63.200 -0.027 0.000 0.976 1132 S HN 0.786 nan 8.310 nan 0.000 0.462 1133 M N 5.975 125.545 119.600 -0.050 0.000 2.238 1133 M HA 0.380 4.860 4.480 0.000 0.000 0.347 1133 M C -1.087 175.193 176.300 -0.034 0.000 1.173 1133 M CA -0.226 55.046 55.300 -0.046 0.000 1.147 1133 M CB 0.634 33.196 32.600 -0.063 0.000 1.547 1133 M HN 0.424 nan 8.290 nan 0.000 0.455 1134 V N 4.661 124.561 119.914 -0.024 0.000 2.465 1134 V HA 0.501 4.621 4.120 0.000 0.000 0.279 1134 V C 0.425 176.508 176.094 -0.018 0.000 1.045 1134 V CA -0.242 62.051 62.300 -0.013 0.000 0.938 1134 V CB 1.066 32.886 31.823 -0.006 0.000 0.986 1134 V HN 1.022 nan 8.190 nan 0.000 0.467 1135 T N -0.228 114.319 114.554 -0.011 0.000 2.838 1135 T HA 0.346 4.696 4.350 0.000 0.000 0.292 1135 T C 0.263 174.965 174.700 0.004 0.000 1.113 1135 T CA -0.277 61.813 62.100 -0.015 0.000 1.008 1135 T CB 1.902 70.746 68.868 -0.040 0.000 1.259 1135 T HN 0.632 nan 8.240 nan 0.000 0.520 1136 D N -0.056 120.345 120.400 0.003 0.000 2.336 1136 D HA 0.073 4.713 4.640 0.000 0.000 0.229 1136 D C 0.658 176.974 176.300 0.028 0.000 1.061 1136 D CA -0.175 53.833 54.000 0.012 0.000 0.875 1136 D CB -0.382 40.422 40.800 0.006 0.000 0.904 1136 D HN 0.390 nan 8.370 nan 0.000 0.525 1137 S N 1.784 117.510 115.700 0.043 0.000 2.544 1137 S HA 0.080 4.550 4.470 0.000 0.000 0.290 1137 S C -1.049 173.604 174.600 0.088 0.000 1.276 1137 S CA -0.929 57.322 58.200 0.085 0.000 1.075 1137 S CB 0.996 64.294 63.200 0.164 0.000 0.849 1137 S HN 0.100 nan 8.310 nan 0.000 0.494 1138 P HA 0.067 nan 4.420 nan 0.000 0.225 1138 P C 0.113 177.428 177.300 0.026 0.000 1.156 1138 P CA 0.323 63.445 63.100 0.037 0.000 0.787 1138 P CB -0.040 31.674 31.700 0.023 0.000 0.802 1139 I N 1.174 121.772 120.570 0.047 0.000 2.648 1139 I HA -0.020 4.150 4.170 0.000 0.000 0.284 1139 I C 1.320 177.377 176.117 -0.100 0.000 1.153 1139 I CA 0.274 61.541 61.300 -0.055 0.000 1.426 1139 I CB 0.179 38.137 38.000 -0.070 0.000 1.381 1139 I HN -0.270 nan 8.210 nan 0.000 0.571 1140 K N 6.645 126.939 120.400 -0.177 0.000 3.233 1140 K HA 0.083 4.403 4.320 0.000 0.000 0.283 1140 K C -0.706 175.803 176.600 -0.151 0.000 1.209 1140 K CA -0.004 56.209 56.287 -0.123 0.000 1.197 1140 K CB -0.566 31.881 32.500 -0.088 0.000 1.431 1140 K HN 0.389 nan 8.250 nan 0.000 0.326 1141 Y N 0.424 120.712 120.300 -0.019 0.000 2.296 1141 Y HA 0.305 4.855 4.550 0.000 0.000 0.343 1141 Y C 1.546 177.432 175.900 -0.023 0.000 1.292 1141 Y CA 0.572 58.657 58.100 -0.024 0.000 1.490 1141 Y CB 0.919 39.362 38.460 -0.028 0.000 1.359 1141 Y HN 0.449 nan 8.280 nan 0.000 0.599 1142 G N 0.160 109.053 108.800 0.155 0.000 2.332 1142 G HA2 -0.044 3.917 3.960 0.000 0.000 0.265 1142 G HA3 -0.044 3.917 3.960 0.000 0.000 0.265 1142 G C -1.791 173.132 174.900 0.038 0.000 1.329 1142 G CA -0.862 44.282 45.100 0.073 0.000 0.949 1142 G HN 0.525 nan 8.290 nan 0.000 0.476 1143 D N 0.522 120.935 120.400 0.022 0.000 2.508 1143 D HA 0.444 5.084 4.640 0.000 0.000 0.224 1143 D C 1.375 177.682 176.300 0.012 0.000 1.171 1143 D CA 0.096 54.103 54.000 0.012 0.000 1.006 1143 D CB 0.698 41.505 40.800 0.011 0.000 1.073 1143 D HN 0.244 nan 8.370 nan 0.000 0.513 1144 V N 2.845 122.765 119.914 0.009 0.000 2.575 1144 V HA -0.031 4.089 4.120 0.000 0.000 0.242 1144 V C 1.879 177.976 176.094 0.006 0.000 1.045 1144 V CA 0.783 63.085 62.300 0.004 0.000 1.065 1144 V CB -0.124 31.698 31.823 -0.002 0.000 0.717 1144 V HN 0.555 nan 8.190 nan 0.000 0.467 1145 M N -0.413 119.189 119.600 0.003 0.000 2.371 1145 M HA 0.283 4.763 4.480 0.000 0.000 0.246 1145 M C 0.369 176.683 176.300 0.024 0.000 1.103 1145 M CA 0.092 55.397 55.300 0.009 0.000 1.010 1145 M CB -0.653 31.944 32.600 -0.005 0.000 1.457 1145 M HN 0.387 nan 8.290 nan 0.000 0.486 1146 N N 1.148 119.861 118.700 0.022 0.000 2.699 1146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 1146 N C 1.021 176.569 175.510 0.063 0.000 0.993 1146 N CA 0.263 53.336 53.050 0.038 0.000 0.759 1146 N CB -1.232 37.283 38.487 0.047 0.000 0.906 1146 N HN 0.155 nan 8.380 nan 0.000 0.541 1147 V N -0.196 119.738 119.914 0.033 0.000 2.287 1147 V HA -0.109 4.011 4.120 0.000 0.000 0.248 1147 V C 1.408 177.600 176.094 0.163 0.000 1.053 1147 V CA 1.559 63.888 62.300 0.050 0.000 1.027 1147 V CB 0.021 31.762 31.823 -0.137 0.000 0.646 1147 V HN 0.410 nan 8.190 nan 0.000 0.447 1148 I N 0.424 121.045 120.570 0.084 0.000 2.410 1148 I HA 0.486 4.656 4.170 0.000 0.000 0.286 1148 I C -1.139 175.015 176.117 0.062 0.000 1.009 1148 I CA -0.304 61.056 61.300 0.101 0.000 1.111 1148 I CB 1.759 39.799 38.000 0.066 0.000 1.262 1148 I HN 0.223 nan 8.210 nan 0.000 0.443 1149 D N 5.444 125.886 120.400 0.069 0.000 2.717 1149 D HA 0.802 5.442 4.640 0.000 0.000 0.223 1149 D C -1.614 174.730 176.300 0.073 0.000 1.240 1149 D CA -0.302 53.735 54.000 0.062 0.000 0.801 1149 D CB 2.312 43.152 40.800 0.067 0.000 1.556 1149 D HN 0.681 nan 8.370 nan 0.000 0.462 1150 A N 2.623 125.488 122.820 0.075 0.000 2.555 1150 A HA 0.632 4.952 4.320 0.000 0.000 0.297 1150 A C -2.847 174.815 177.584 0.130 0.000 1.060 1150 A CA -1.206 50.900 52.037 0.114 0.000 0.710 1150 A CB 1.159 20.209 19.000 0.084 0.000 1.282 1150 A HN 0.432 nan 8.150 nan 0.000 0.399 1151 P HA 0.339 nan 4.420 nan 0.000 0.268 1151 P C 1.073 178.504 177.300 0.218 0.000 1.204 1151 P CA 0.531 63.730 63.100 0.165 0.000 0.768 1151 P CB 1.120 32.903 31.700 0.139 0.000 0.842 1152 A N 3.030 125.933 122.820 0.138 0.000 1.978 1152 A HA -0.021 4.299 4.320 0.000 0.000 0.220 1152 A C 1.005 178.707 177.584 0.196 0.000 1.170 1152 A CA 1.995 54.106 52.037 0.124 0.000 0.636 1152 A CB -0.903 18.141 19.000 0.073 0.000 0.810 1152 A HN 0.643 nan 8.150 nan 0.000 0.448 1153 T N -3.861 110.800 114.554 0.178 0.000 2.883 1153 T HA 0.676 5.026 4.350 0.000 0.000 0.301 1153 T C -0.874 173.849 174.700 0.037 0.000 1.158 1153 T CA -0.621 61.567 62.100 0.147 0.000 1.007 1153 T CB 1.492 70.401 68.868 0.068 0.000 1.186 1153 T HN 0.167 nan 8.240 nan 0.000 0.499 1154 I N 1.730 122.244 120.570 -0.093 0.000 2.439 1154 I HA 0.572 4.742 4.170 0.000 0.000 0.283 1154 I C 0.615 176.651 176.117 -0.133 0.000 1.023 1154 I CA -1.106 60.085 61.300 -0.182 0.000 1.100 1154 I CB 1.446 39.201 38.000 -0.409 0.000 1.238 1154 I HN 1.034 nan 8.210 nan 0.000 0.445 1155 A N 4.728 127.499 122.820 -0.082 0.000 2.346 1155 A HA 0.703 5.023 4.320 0.000 0.000 0.252 1155 A C 0.643 178.188 177.584 -0.066 0.000 1.089 1155 A CA -0.269 51.732 52.037 -0.060 0.000 0.797 1155 A CB 0.439 19.418 19.000 -0.035 0.000 1.047 1155 A HN 0.838 nan 8.150 nan 0.000 0.494 1156 A N -0.022 122.774 122.820 -0.039 0.000 2.566 1156 A HA 0.452 4.772 4.320 0.000 0.000 0.245 1156 A C 1.622 179.191 177.584 -0.024 0.000 1.056 1156 A CA 0.960 52.990 52.037 -0.011 0.000 0.757 1156 A CB -1.115 17.910 19.000 0.042 0.000 0.979 1156 A HN 2.751 nan 8.150 nan 0.000 0.508 1157 G N 0.884 109.661 108.800 -0.039 0.000 2.199 1157 G HA2 0.139 4.099 3.960 0.000 0.000 0.254 1157 G HA3 0.139 4.099 3.960 0.000 0.000 0.254 1157 G C 0.564 175.431 174.900 -0.055 0.000 0.982 1157 G CA 0.568 45.641 45.100 -0.044 0.000 0.632 1157 G HN 2.180 nan 8.290 nan 0.000 0.529 1158 A N -0.478 122.301 122.820 -0.068 0.000 2.264 1158 A HA 0.846 5.166 4.320 0.000 0.000 0.304 1158 A C 0.259 177.788 177.584 -0.092 0.000 1.100 1158 A CA 0.685 52.680 52.037 -0.070 0.000 0.839 1158 A CB 1.051 20.012 19.000 -0.066 0.000 1.121 1158 A HN 0.709 nan 8.150 nan 0.000 0.496 1159 T N 0.540 115.051 114.554 -0.073 0.000 2.812 1159 T HA 0.611 4.961 4.350 0.000 0.000 0.282 1159 T C 0.155 174.820 174.700 -0.058 0.000 0.990 1159 T CA 0.056 62.112 62.100 -0.074 0.000 0.960 1159 T CB 1.499 70.339 68.868 -0.047 0.000 0.948 1159 T HN 1.044 nan 8.240 nan 0.000 0.438 1160 G N 1.903 110.661 108.800 -0.070 0.000 2.400 1160 G HA2 0.636 4.596 3.960 0.000 0.000 0.333 1160 G HA3 0.636 4.596 3.960 0.000 0.000 0.333 1160 G C -0.886 174.031 174.900 0.027 0.000 1.143 1160 G CA -0.576 44.509 45.100 -0.024 0.000 0.914 1160 G HN 0.497 nan 8.290 nan 0.000 0.480 1161 E N 0.624 120.856 120.200 0.053 0.000 2.158 1161 E HA 0.480 4.830 4.350 0.000 0.000 0.271 1161 E C -0.911 175.749 176.600 0.100 0.000 0.911 1161 E CA -0.517 55.925 56.400 0.070 0.000 0.767 1161 E CB 2.385 32.115 29.700 0.050 0.000 1.120 1161 E HN 0.133 nan 8.360 nan 0.000 0.405 1162 L N 1.398 122.694 121.223 0.121 0.000 2.341 1162 L HA 0.539 4.879 4.340 0.000 0.000 0.267 1162 L C 0.052 176.986 176.870 0.108 0.000 1.009 1162 L CA -0.470 54.450 54.840 0.133 0.000 0.819 1162 L CB 2.103 44.273 42.059 0.185 0.000 1.323 1162 L HN 0.330 nan 8.230 nan 0.000 0.425 1163 T N 2.221 116.833 114.554 0.097 0.000 2.921 1163 T HA 0.735 5.085 4.350 0.000 0.000 0.297 1163 T C -1.094 173.651 174.700 0.076 0.000 1.013 1163 T CA -0.364 61.785 62.100 0.081 0.000 0.990 1163 T CB 1.639 70.575 68.868 0.113 0.000 1.023 1163 T HN 0.439 nan 8.240 nan 0.000 0.447 1164 M N 3.171 122.785 119.600 0.022 0.000 2.501 1164 M HA 0.685 5.165 4.480 0.000 0.000 0.293 1164 M C -2.374 173.879 176.300 -0.078 0.000 1.192 1164 M CA -0.761 54.529 55.300 -0.017 0.000 0.886 1164 M CB 1.695 34.262 32.600 -0.056 0.000 1.710 1164 M HN 0.619 nan 8.290 nan 0.000 0.457 1165 Y N 2.713 122.981 120.300 -0.053 0.000 2.462 1165 Y HA 0.705 5.255 4.550 0.000 0.000 0.346 1165 Y C -1.529 174.416 175.900 0.074 0.000 0.976 1165 Y CA -0.329 57.853 58.100 0.136 0.000 1.044 1165 Y CB 2.060 40.655 38.460 0.225 0.000 1.230 1165 Y HN 0.623 nan 8.280 nan 0.000 0.455 1166 Y N 1.204 121.799 120.300 0.491 0.000 2.477 1166 Y HA 0.285 4.835 4.550 0.000 0.000 0.347 1166 Y C -1.019 175.099 175.900 0.363 0.000 0.981 1166 Y CA -1.553 56.728 58.100 0.302 0.000 1.033 1166 Y CB 2.042 40.567 38.460 0.108 0.000 1.245 1166 Y HN 0.644 nan 8.280 nan 0.000 0.455 1167 W N 4.986 126.370 121.300 0.139 0.000 2.361 1167 W HA 0.667 5.327 4.660 0.000 0.000 0.314 1167 W C -1.907 174.636 176.519 0.041 0.000 1.041 1167 W CA -1.021 56.397 57.345 0.121 0.000 1.241 1167 W CB 1.455 30.946 29.460 0.050 0.000 1.279 1167 W HN 0.310 nan 8.180 nan 0.000 0.436 1168 V N 9.386 129.014 119.914 -0.478 0.000 2.334 1168 V HA 0.192 4.312 4.120 0.000 0.000 0.267 1168 V C -1.591 174.011 176.094 -0.821 0.000 1.040 1168 V CA -1.525 60.507 62.300 -0.447 0.000 0.866 1168 V CB 0.949 32.639 31.823 -0.221 0.000 1.019 1168 V HN 0.356 nan 8.190 nan 0.000 0.468 1169 P HA 0.395 nan 4.420 nan 0.000 0.286 1169 P C 0.034 177.231 177.300 -0.171 0.000 1.261 1169 P CA -0.314 62.621 63.100 -0.275 0.000 0.821 1169 P CB 2.536 34.397 31.700 0.268 0.000 1.013 1170 L N 1.298 122.461 121.223 -0.099 0.000 2.675 1170 L HA 0.323 4.663 4.340 0.000 0.000 0.178 1170 L C 1.362 178.361 176.870 0.215 0.000 1.135 1170 L CA 0.101 54.901 54.840 -0.067 0.000 0.855 1170 L CB -0.778 41.106 42.059 -0.292 0.000 1.235 1170 L HN 0.325 nan 8.230 nan 0.000 0.499 1171 A N -0.906 122.010 122.820 0.159 0.000 2.445 1171 A HA -0.015 4.305 4.320 0.000 0.000 0.242 1171 A C 0.525 178.261 177.584 0.255 0.000 1.075 1171 A CA 0.028 52.180 52.037 0.192 0.000 0.777 1171 A CB -0.016 19.060 19.000 0.126 0.000 1.013 1171 A HN 0.361 nan 8.150 nan 0.000 0.493 1172 Y N 2.252 122.540 120.300 -0.019 0.000 2.181 1172 Y HA -0.023 4.527 4.550 0.000 0.000 0.288 1172 Y C 1.278 177.132 175.900 -0.077 0.000 1.146 1172 Y CA 1.789 59.707 58.100 -0.304 0.000 1.164 1172 Y CB 0.020 38.324 38.460 -0.260 0.000 0.982 1172 Y HN 0.878 nan 8.280 nan 0.000 0.515 1173 S N -2.420 113.258 115.700 -0.038 0.000 2.790 1173 S HA 0.269 4.739 4.470 0.000 0.000 0.292 1173 S C 0.350 174.933 174.600 -0.028 0.000 1.197 1173 S CA -0.622 57.514 58.200 -0.108 0.000 0.851 1173 S CB 1.080 64.202 63.200 -0.130 0.000 1.217 1173 S HN 0.082 nan 8.310 nan 0.000 0.526 1174 E N 1.099 121.253 120.200 -0.076 0.000 2.274 1174 E HA 0.002 4.352 4.350 0.000 0.000 0.194 1174 E C 1.692 178.266 176.600 -0.044 0.000 0.996 1174 E CA 1.818 58.175 56.400 -0.072 0.000 0.840 1174 E CB -0.322 29.307 29.700 -0.119 0.000 0.772 1174 E HN 0.847 nan 8.360 nan 0.000 0.491 1175 T N -2.433 112.106 114.554 -0.024 0.000 2.985 1175 T HA 0.057 4.407 4.350 0.000 0.000 0.254 1175 T C 0.444 175.153 174.700 0.014 0.000 1.021 1175 T CA -0.305 61.788 62.100 -0.011 0.000 0.957 1175 T CB 0.440 69.300 68.868 -0.013 0.000 1.047 1175 T HN -0.208 nan 8.240 nan 0.000 0.511 1176 D N 1.197 121.628 120.400 0.051 0.000 2.453 1176 D HA 0.311 4.951 4.640 0.000 0.000 0.238 1176 D C 0.622 176.960 176.300 0.062 0.000 1.088 1176 D CA -0.673 53.368 54.000 0.068 0.000 0.854 1176 D CB 1.020 41.924 40.800 0.173 0.000 1.076 1176 D HN 0.216 nan 8.370 nan 0.000 0.533 1177 L N 2.503 123.735 121.223 0.014 0.000 2.627 1177 L HA 0.086 4.426 4.340 0.000 0.000 0.233 1177 L C 0.772 177.641 176.870 -0.002 0.000 1.144 1177 L CA 0.157 55.007 54.840 0.016 0.000 0.892 1177 L CB -0.343 41.717 42.059 0.001 0.000 1.039 1177 L HN 0.254 nan 8.230 nan 0.000 0.442 1178 T N 0.856 115.375 114.554 -0.058 0.000 2.871 1178 T HA 0.227 4.577 4.350 0.000 0.000 0.296 1178 T C 1.260 175.951 174.700 -0.014 0.000 0.998 1178 T CA 1.054 63.050 62.100 -0.174 0.000 1.162 1178 T CB 0.847 69.399 68.868 -0.528 0.000 0.947 1178 T HN 0.632 nan 8.240 nan 0.000 0.536 1179 G N 2.052 110.873 108.800 0.034 0.000 2.195 1179 G HA2 -0.094 3.866 3.960 0.000 0.000 0.246 1179 G HA3 -0.094 3.866 3.960 0.000 0.000 0.246 1179 G C 0.363 175.376 174.900 0.189 0.000 0.984 1179 G CA -0.030 45.191 45.100 0.202 0.000 0.633 1179 G HN 1.159 nan 8.290 nan 0.000 0.525 1180 A N -0.476 122.407 122.820 0.106 0.000 2.386 1180 A HA 0.650 4.970 4.320 0.000 0.000 0.246 1180 A C 0.404 178.030 177.584 0.070 0.000 1.089 1180 A CA 0.748 52.821 52.037 0.060 0.000 0.790 1180 A CB 0.874 19.896 19.000 0.037 0.000 1.042 1180 A HN 1.195 nan 8.150 nan 0.000 0.497 1181 V N 1.875 121.807 119.914 0.030 0.000 2.448 1181 V HA 0.289 4.409 4.120 0.000 0.000 0.295 1181 V C -0.477 175.648 176.094 0.052 0.000 1.025 1181 V CA -0.511 61.827 62.300 0.063 0.000 0.859 1181 V CB 1.345 33.203 31.823 0.059 0.000 0.988 1181 V HN 0.768 nan 8.190 nan 0.000 0.431 1182 L N 5.177 126.438 121.223 0.064 0.000 2.325 1182 L HA 0.590 4.930 4.340 0.000 0.000 0.284 1182 L C 0.864 177.769 176.870 0.058 0.000 1.089 1182 L CA 0.697 55.566 54.840 0.048 0.000 0.836 1182 L CB 0.991 43.083 42.059 0.055 0.000 1.184 1182 L HN 0.748 nan 8.230 nan 0.000 0.444 1183 A N 2.621 125.465 122.820 0.040 0.000 2.469 1183 A HA 0.246 4.566 4.320 0.000 0.000 0.245 1183 A C 1.546 179.147 177.584 0.028 0.000 1.221 1183 A CA 0.482 52.543 52.037 0.039 0.000 0.946 1183 A CB -0.807 18.213 19.000 0.034 0.000 1.049 1183 A HN 0.766 nan 8.150 nan 0.000 0.529 1184 N N 0.366 119.088 118.700 0.038 0.000 2.459 1184 N HA 0.341 5.081 4.740 0.000 0.000 0.181 1184 N C 1.300 176.857 175.510 0.079 0.000 1.046 1184 N CA 1.075 54.160 53.050 0.058 0.000 0.904 1184 N CB -0.908 37.637 38.487 0.097 0.000 0.964 1184 N HN 0.782 nan 8.380 nan 0.000 0.444 1185 V N 0.317 120.278 119.914 0.080 0.000 4.119 1185 V HA 0.229 4.349 4.120 0.000 0.000 0.286 1185 V C -1.142 174.985 176.094 0.053 0.000 0.996 1185 V CA -0.512 61.833 62.300 0.076 0.000 1.027 1185 V CB -1.134 30.733 31.823 0.074 0.000 1.193 1185 V HN 0.306 nan 8.190 nan 0.000 0.454 1186 P HA 0.188 nan 4.420 nan 0.000 0.274 1186 P C 0.737 178.052 177.300 0.025 0.000 1.209 1186 P CA 1.459 64.578 63.100 0.032 0.000 0.790 1186 P CB 0.079 31.797 31.700 0.029 0.000 0.834 1187 Q N 0.954 120.765 119.800 0.017 0.000 2.369 1187 Q HA -0.040 4.300 4.340 0.000 0.000 0.206 1187 Q C 1.252 177.255 176.000 0.006 0.000 0.963 1187 Q CA 1.298 57.108 55.803 0.011 0.000 0.894 1187 Q CB -0.881 27.861 28.738 0.007 0.000 0.965 1187 Q HN 0.514 nan 8.270 nan 0.000 0.475 1188 S N 1.303 117.007 115.700 0.006 0.000 2.702 1188 S HA 0.111 4.581 4.470 0.000 0.000 0.314 1188 S C 0.398 174.995 174.600 -0.005 0.000 1.244 1188 S CA 0.180 58.379 58.200 -0.003 0.000 1.058 1188 S CB 0.008 63.209 63.200 0.002 0.000 0.783 1188 S HN 0.723 nan 8.310 nan 0.000 0.503 1189 K N 4.341 124.729 120.400 -0.021 0.000 2.202 1189 K HA 0.282 4.602 4.320 0.000 0.000 0.264 1189 K C -0.069 176.504 176.600 -0.046 0.000 1.010 1189 K CA -0.608 55.663 56.287 -0.027 0.000 0.940 1189 K CB 0.543 33.020 32.500 -0.038 0.000 0.983 1189 K HN 0.634 nan 8.250 nan 0.000 0.475 1190 Q N 1.080 120.858 119.800 -0.035 0.000 2.212 1190 Q HA 0.325 4.665 4.340 0.000 0.000 0.238 1190 Q C -0.773 175.145 176.000 -0.137 0.000 0.955 1190 Q CA -0.725 55.026 55.803 -0.088 0.000 0.906 1190 Q CB 1.529 30.297 28.738 0.049 0.000 1.215 1190 Q HN 0.461 nan 8.270 nan 0.000 0.478 1191 R N 1.219 121.571 120.500 -0.246 0.000 2.483 1191 R HA 0.380 4.720 4.340 0.000 0.000 0.303 1191 R C -1.627 174.558 176.300 -0.193 0.000 0.987 1191 R CA -0.737 55.258 56.100 -0.176 0.000 0.881 1191 R CB 1.193 31.405 30.300 -0.146 0.000 1.177 1191 R HN 0.330 nan 8.270 nan 0.000 0.451 1192 L N 3.786 124.905 121.223 -0.173 0.000 2.301 1192 L HA 0.391 4.731 4.340 0.000 0.000 0.278 1192 L C -0.867 175.904 176.870 -0.165 0.000 1.022 1192 L CA -0.255 54.469 54.840 -0.193 0.000 0.854 1192 L CB 0.809 42.605 42.059 -0.438 0.000 1.226 1192 L HN 0.398 nan 8.230 nan 0.000 0.429 1193 K N 6.140 126.472 120.400 -0.114 0.000 2.201 1193 K HA 0.599 4.919 4.320 0.000 0.000 0.278 1193 K C -1.220 175.257 176.600 -0.204 0.000 1.027 1193 K CA -0.410 55.807 56.287 -0.117 0.000 0.909 1193 K CB 1.348 33.822 32.500 -0.043 0.000 1.062 1193 K HN 0.541 nan 8.250 nan 0.000 0.465 1194 L N 2.468 123.544 121.223 -0.244 0.000 2.381 1194 L HA 0.359 4.699 4.340 0.000 0.000 0.274 1194 L C -0.436 176.199 176.870 -0.393 0.000 0.988 1194 L CA -0.622 53.955 54.840 -0.439 0.000 0.824 1194 L CB 1.938 43.597 42.059 -0.667 0.000 1.263 1194 L HN 0.649 nan 8.230 nan 0.000 0.410 1195 E N 3.206 123.154 120.200 -0.420 0.000 2.129 1195 E HA 0.449 4.799 4.350 0.000 0.000 0.268 1195 E C -1.299 175.122 176.600 -0.298 0.000 0.900 1195 E CA -0.609 55.650 56.400 -0.236 0.000 0.755 1195 E CB 1.031 30.647 29.700 -0.139 0.000 1.117 1195 E HN 0.300 nan 8.360 nan 0.000 0.410 1196 F N 1.901 121.863 119.950 0.021 0.000 2.370 1196 F HA 0.463 4.990 4.527 0.000 0.000 0.319 1196 F C 1.076 176.904 175.800 0.046 0.000 1.129 1196 F CA -0.546 57.492 58.000 0.063 0.000 1.109 1196 F CB 0.831 39.963 39.000 0.219 0.000 1.262 1196 F HN 0.507 nan 8.300 nan 0.000 0.534 1197 A N 1.649 124.615 122.820 0.243 0.000 2.448 1197 A HA 0.398 4.718 4.320 0.000 0.000 0.239 1197 A C -0.262 177.380 177.584 0.097 0.000 1.080 1197 A CA -0.168 51.970 52.037 0.169 0.000 0.779 1197 A CB -0.194 18.956 19.000 0.249 0.000 1.026 1197 A HN 0.892 nan 8.150 nan 0.000 0.499 1198 N N -0.715 118.098 118.700 0.187 0.000 3.102 1198 N HA 0.254 4.994 4.740 0.000 0.000 0.299 1198 N C -0.119 175.639 175.510 0.414 0.000 1.482 1198 N CA -0.822 52.366 53.050 0.231 0.000 0.785 1198 N CB 0.350 38.946 38.487 0.182 0.000 1.680 1198 N HN 0.298 nan 8.380 nan 0.000 0.594 1199 N N -0.566 118.401 118.700 0.445 0.000 2.520 1199 N HA -0.037 4.703 4.740 0.000 0.000 0.185 1199 N C -0.027 175.694 175.510 0.352 0.000 1.068 1199 N CA 0.670 54.022 53.050 0.504 0.000 0.911 1199 N CB -0.535 38.202 38.487 0.417 0.000 0.961 1199 N HN 0.579 nan 8.380 nan 0.000 0.446 1200 N N -1.031 117.806 118.700 0.229 0.000 2.388 1200 N HA -0.025 4.715 4.740 0.000 0.000 0.176 1200 N C 1.503 177.083 175.510 0.117 0.000 1.062 1200 N CA 0.800 53.950 53.050 0.166 0.000 0.895 1200 N CB 0.390 38.955 38.487 0.130 0.000 1.018 1200 N HN 0.244 nan 8.380 nan 0.000 0.456 1201 T N -2.849 111.758 114.554 0.088 0.000 3.000 1201 T HA 0.311 4.661 4.350 0.000 0.000 0.248 1201 T C 1.846 176.512 174.700 -0.058 0.000 1.034 1201 T CA 0.158 62.285 62.100 0.045 0.000 1.060 1201 T CB 0.101 69.015 68.868 0.077 0.000 0.983 1201 T HN 0.039 nan 8.240 nan 0.000 0.482 1202 A N 0.802 123.477 122.820 -0.242 0.000 2.066 1202 A HA 0.411 4.731 4.320 0.000 0.000 0.218 1202 A C 0.286 177.365 177.584 -0.842 0.000 1.157 1202 A CA 0.169 51.827 52.037 -0.632 0.000 0.670 1202 A CB -0.623 17.776 19.000 -1.002 0.000 0.804 1202 A HN 0.599 nan 8.150 nan 0.000 0.453 1203 F N -0.842 119.167 119.950 0.098 0.000 2.477 1203 F HA 0.649 5.176 4.527 0.000 0.000 0.335 1203 F C 0.222 176.056 175.800 0.057 0.000 1.130 1203 F CA -0.810 57.231 58.000 0.069 0.000 0.948 1203 F CB 1.747 40.766 39.000 0.032 0.000 1.154 1203 F HN 0.050 nan 8.300 nan 0.000 0.439 1204 A N 2.208 125.139 122.820 0.186 0.000 2.318 1204 A HA 0.854 5.174 4.320 0.000 0.000 0.324 1204 A C -0.218 177.424 177.584 0.096 0.000 1.170 1204 A CA -0.635 51.468 52.037 0.109 0.000 0.810 1204 A CB 0.682 19.715 19.000 0.054 0.000 1.198 1204 A HN 0.942 nan 8.150 nan 0.000 0.484 1205 A N 1.796 124.661 122.820 0.076 0.000 2.366 1205 A HA 0.525 4.845 4.320 0.000 0.000 0.249 1205 A C 0.430 178.033 177.584 0.032 0.000 1.084 1205 A CA -0.295 51.772 52.037 0.049 0.000 0.794 1205 A CB -0.006 19.021 19.000 0.045 0.000 1.034 1205 A HN 1.215 nan 8.150 nan 0.000 0.491 1206 V N 1.379 121.302 119.914 0.016 0.000 2.694 1206 V HA 0.353 4.473 4.120 0.000 0.000 0.306 1206 V C 1.704 177.804 176.094 0.011 0.000 1.054 1206 V CA 1.857 64.163 62.300 0.009 0.000 1.161 1206 V CB 0.014 31.835 31.823 -0.002 0.000 0.916 1206 V HN 1.981 nan 8.190 nan 0.000 0.490 1207 G N 3.136 111.941 108.800 0.009 0.000 2.225 1207 G HA2 -0.126 3.834 3.960 0.000 0.000 0.254 1207 G HA3 -0.126 3.834 3.960 0.000 0.000 0.254 1207 G C 0.383 175.289 174.900 0.010 0.000 0.988 1207 G CA 0.287 45.391 45.100 0.006 0.000 0.625 1207 G HN 1.524 nan 8.290 nan 0.000 0.527 1208 A N -0.234 122.598 122.820 0.019 0.000 2.264 1208 A HA 0.674 4.994 4.320 0.000 0.000 0.304 1208 A C 0.471 178.072 177.584 0.029 0.000 1.100 1208 A CA 0.021 52.073 52.037 0.026 0.000 0.839 1208 A CB 0.452 19.474 19.000 0.037 0.000 1.121 1208 A HN 0.491 nan 8.150 nan 0.000 0.496 1209 N N 1.161 119.883 118.700 0.036 0.000 2.452 1209 N HA 0.137 4.877 4.740 0.000 0.000 0.266 1209 N C -1.773 173.760 175.510 0.040 0.000 1.209 1209 N CA -1.286 51.800 53.050 0.061 0.000 0.929 1209 N CB 1.010 39.536 38.487 0.065 0.000 1.063 1209 N HN 0.351 nan 8.380 nan 0.000 0.472 1210 P HA -0.000 nan 4.420 nan 0.000 0.261 1210 P C 1.507 178.638 177.300 -0.282 0.000 1.268 1210 P CA -0.134 62.899 63.100 -0.111 0.000 0.833 1210 P CB 0.471 32.087 31.700 -0.142 0.000 1.231 1211 L N 1.557 122.632 121.223 -0.248 0.000 2.010 1211 L HA -0.188 4.152 4.340 0.000 0.000 0.219 1211 L C 1.739 178.406 176.870 -0.338 0.000 1.077 1211 L CA 2.207 56.772 54.840 -0.459 0.000 0.773 1211 L CB -0.888 41.144 42.059 -0.046 0.000 0.892 1211 L HN -0.119 nan 8.230 nan 0.000 0.436 1212 E N -0.007 120.155 120.200 -0.064 0.000 2.474 1212 E HA 0.287 4.637 4.350 0.000 0.000 0.195 1212 E C 0.688 177.310 176.600 0.036 0.000 1.039 1212 E CA 0.574 57.020 56.400 0.077 0.000 0.881 1212 E CB -0.066 29.718 29.700 0.139 0.000 0.970 1212 E HN 0.577 nan 8.360 nan 0.000 0.486 1213 A N 0.751 123.541 122.820 -0.050 0.000 2.271 1213 A HA 0.505 4.825 4.320 0.000 0.000 0.288 1213 A C 1.109 178.647 177.584 -0.077 0.000 1.094 1213 A CA -0.444 51.557 52.037 -0.059 0.000 0.828 1213 A CB 0.529 19.500 19.000 -0.048 0.000 1.091 1213 A HN 0.046 nan 8.150 nan 0.000 0.493 1214 I N -1.569 118.947 120.570 -0.091 0.000 3.039 1214 I HA 0.119 4.289 4.170 0.000 0.000 0.270 1214 I C -0.350 175.581 176.117 -0.310 0.000 1.150 1214 I CA 0.658 61.873 61.300 -0.142 0.000 1.448 1214 I CB -0.014 37.963 38.000 -0.039 0.000 1.197 1214 I HN 0.585 nan 8.210 nan 0.000 0.450 1215 Y N 0.347 120.668 120.300 0.035 0.000 2.499 1215 Y HA 0.563 5.113 4.550 0.000 0.000 0.347 1215 Y C -0.236 175.719 175.900 0.091 0.000 0.987 1215 Y CA -0.737 57.419 58.100 0.092 0.000 1.044 1215 Y CB 1.761 40.328 38.460 0.179 0.000 1.245 1215 Y HN -0.061 nan 8.280 nan 0.000 0.461 1216 Q N 1.300 121.224 119.800 0.205 0.000 2.359 1216 Q HA 0.771 5.111 4.340 0.000 0.000 0.274 1216 Q C -0.978 175.078 176.000 0.094 0.000 1.074 1216 Q CA -0.641 55.234 55.803 0.120 0.000 0.810 1216 Q CB 2.692 31.456 28.738 0.044 0.000 1.342 1216 Q HN 0.969 nan 8.270 nan 0.000 0.427 1217 G N 0.340 109.172 108.800 0.053 0.000 2.336 1217 G HA2 0.351 4.311 3.960 0.000 0.000 0.300 1217 G HA3 0.351 4.311 3.960 0.000 0.000 0.300 1217 G C -0.206 174.667 174.900 -0.044 0.000 1.375 1217 G CA -0.129 44.974 45.100 0.004 0.000 0.885 1217 G HN 0.739 nan 8.290 nan 0.000 0.599 1218 A N -0.838 121.926 122.820 -0.093 0.000 2.024 1218 A HA 0.291 4.611 4.320 0.000 0.000 0.220 1218 A C 2.280 179.673 177.584 -0.319 0.000 1.164 1218 A CA 2.804 54.745 52.037 -0.159 0.000 0.643 1218 A CB -0.492 18.410 19.000 -0.163 0.000 0.806 1218 A HN 2.032 nan 8.150 nan 0.000 0.451 1219 G N -1.702 106.884 108.800 -0.356 0.000 3.189 1219 G HA2 0.348 4.308 3.960 0.000 0.000 0.225 1219 G HA3 0.348 4.308 3.960 0.000 0.000 0.225 1219 G C 1.267 176.073 174.900 -0.156 0.000 1.159 1219 G CA 0.865 45.688 45.100 -0.461 0.000 0.763 1219 G HN 0.626 nan 8.290 nan 0.000 0.549 1220 A N 1.453 124.221 122.820 -0.088 0.000 1.892 1220 A HA 0.102 4.422 4.320 0.000 0.000 0.218 1220 A C 2.771 180.346 177.584 -0.016 0.000 1.188 1220 A CA 2.235 54.262 52.037 -0.017 0.000 0.631 1220 A CB -0.735 18.317 19.000 0.088 0.000 0.822 1220 A HN 0.806 nan 8.150 nan 0.000 0.447 1221 A N -0.656 122.182 122.820 0.030 0.000 2.032 1221 A HA -0.173 4.147 4.320 0.000 0.000 0.221 1221 A C 1.342 178.932 177.584 0.011 0.000 1.165 1221 A CA 1.806 53.872 52.037 0.050 0.000 0.645 1221 A CB -0.355 18.687 19.000 0.071 0.000 0.807 1221 A HN 0.488 nan 8.150 nan 0.000 0.453 1222 D N -1.234 119.164 120.400 -0.003 0.000 2.424 1222 D HA 0.200 4.840 4.640 0.000 0.000 0.220 1222 D C -0.366 175.818 176.300 -0.194 0.000 1.150 1222 D CA -0.045 53.924 54.000 -0.052 0.000 0.831 1222 D CB -0.094 40.714 40.800 0.013 0.000 0.981 1222 D HN 0.290 nan 8.370 nan 0.000 0.500 1223 C N 1.539 120.601 119.300 -0.398 0.000 2.398 1223 C HA 0.572 5.032 4.460 0.000 0.000 0.364 1223 C C 0.531 175.011 174.990 -0.849 0.000 1.219 1223 C CA -0.507 58.033 59.018 -0.797 0.000 2.312 1223 C CB 0.874 27.757 27.740 -1.427 0.000 2.428 1223 C HN 0.400 nan 8.230 nan 0.000 0.564 1224 E N 0.600 120.394 120.200 -0.677 0.000 2.407 1224 E HA 0.458 4.808 4.350 0.000 0.000 0.279 1224 E C -1.734 174.818 176.600 -0.079 0.000 1.012 1224 E CA -0.686 55.588 56.400 -0.209 0.000 0.800 1224 E CB 0.625 30.302 29.700 -0.039 0.000 1.276 1224 E HN 0.401 nan 8.360 nan 0.000 0.452 1225 F N 1.457 121.526 119.950 0.197 0.000 2.427 1225 F HA 0.158 4.685 4.527 0.000 0.000 0.352 1225 F C 1.779 177.601 175.800 0.036 0.000 1.100 1225 F CA 0.040 58.123 58.000 0.139 0.000 1.191 1225 F CB 1.445 40.518 39.000 0.121 0.000 1.128 1225 F HN 0.764 nan 8.300 nan 0.000 0.533 1226 E N 2.431 122.741 120.200 0.183 0.000 2.076 1226 E HA -0.047 4.303 4.350 0.000 0.000 0.190 1226 E C -0.240 176.396 176.600 0.061 0.000 0.979 1226 E CA 0.890 57.339 56.400 0.083 0.000 0.807 1226 E CB 0.367 30.089 29.700 0.038 0.000 0.761 1226 E HN 0.806 nan 8.360 nan 0.000 0.454 1227 E N -1.012 119.223 120.200 0.058 0.000 2.398 1227 E HA 0.352 4.702 4.350 0.000 0.000 0.280 1227 E C -1.304 175.162 176.600 -0.223 0.000 1.122 1227 E CA -0.689 55.639 56.400 -0.120 0.000 0.873 1227 E CB 0.545 30.166 29.700 -0.132 0.000 1.294 1227 E HN 0.044 nan 8.360 nan 0.000 0.435 1228 I N 0.955 121.158 120.570 -0.612 0.000 2.647 1228 I HA 0.565 4.735 4.170 0.000 0.000 0.295 1228 I C -0.896 174.794 176.117 -0.711 0.000 1.078 1228 I CA -0.945 59.930 61.300 -0.709 0.000 1.048 1228 I CB 2.218 39.533 38.000 -1.142 0.000 1.239 1228 I HN 0.562 nan 8.210 nan 0.000 0.421 1229 S N 4.160 119.639 115.700 -0.369 0.000 2.549 1229 S HA 0.782 5.252 4.470 0.000 0.000 0.280 1229 S C -1.592 172.946 174.600 -0.103 0.000 1.109 1229 S CA -0.435 57.609 58.200 -0.260 0.000 0.905 1229 S CB 1.447 64.534 63.200 -0.188 0.000 1.081 1229 S HN 0.484 nan 8.310 nan 0.000 0.477 1230 Y N -0.181 120.035 120.300 -0.140 0.000 2.562 1230 Y HA 0.829 5.379 4.550 0.000 0.000 0.345 1230 Y C -0.868 175.006 175.900 -0.044 0.000 1.045 1230 Y CA -0.840 57.236 58.100 -0.038 0.000 1.028 1230 Y CB 1.412 39.918 38.460 0.077 0.000 1.297 1230 Y HN 0.436 nan 8.280 nan 0.000 0.463 1231 T N 2.880 117.547 114.554 0.188 0.000 2.928 1231 T HA 0.536 4.886 4.350 0.000 0.000 0.296 1231 T C -1.452 173.332 174.700 0.140 0.000 1.000 1231 T CA -0.654 61.469 62.100 0.037 0.000 0.989 1231 T CB 1.527 70.358 68.868 -0.061 0.000 1.005 1231 T HN 0.625 nan 8.240 nan 0.000 0.442 1232 V N 4.067 124.037 119.914 0.092 0.000 2.398 1232 V HA 0.488 4.608 4.120 0.000 0.000 0.286 1232 V C -1.145 174.982 176.094 0.055 0.000 1.026 1232 V CA -0.767 61.629 62.300 0.161 0.000 0.868 1232 V CB 0.902 32.821 31.823 0.160 0.000 0.982 1232 V HN 0.818 nan 8.190 nan 0.000 0.443 1233 Y N 2.978 123.460 120.300 0.303 0.000 2.352 1233 Y HA 0.499 5.049 4.550 0.000 0.000 0.339 1233 Y C 0.298 176.395 175.900 0.329 0.000 0.992 1233 Y CA -0.329 57.946 58.100 0.292 0.000 1.100 1233 Y CB 1.728 40.358 38.460 0.282 0.000 1.192 1233 Y HN 0.566 nan 8.280 nan 0.000 0.458 1234 Q N 2.165 122.232 119.800 0.445 0.000 2.271 1234 Q HA 0.442 4.782 4.340 0.000 0.000 0.258 1234 Q C -0.886 175.282 176.000 0.280 0.000 0.936 1234 Q CA -0.573 55.409 55.803 0.299 0.000 0.909 1234 Q CB 1.325 30.267 28.738 0.340 0.000 1.253 1234 Q HN 0.653 nan 8.270 nan 0.000 0.440 1235 S N 4.387 120.155 115.700 0.114 0.000 2.433 1235 S HA 0.621 5.091 4.470 0.000 0.000 0.310 1235 S C -1.368 173.313 174.600 0.136 0.000 1.097 1235 S CA -0.378 57.914 58.200 0.153 0.000 1.103 1235 S CB 0.225 63.622 63.200 0.328 0.000 0.992 1235 S HN 0.572 nan 8.310 nan 0.000 0.469 1236 Y N 2.084 122.384 120.300 -0.000 0.000 2.689 1236 Y HA 0.726 5.276 4.550 0.000 0.000 0.333 1236 Y C -1.809 174.089 175.900 -0.004 0.000 1.190 1236 Y CA -1.584 56.502 58.100 -0.022 0.000 1.063 1236 Y CB 0.884 39.330 38.460 -0.023 0.000 1.294 1236 Y HN 0.414 nan 8.280 nan 0.000 0.466 1237 L N 2.401 123.703 121.223 0.132 0.000 2.313 1237 L HA 0.478 4.818 4.340 0.000 0.000 0.283 1237 L C -0.855 176.111 176.870 0.160 0.000 1.013 1237 L CA -0.569 54.293 54.840 0.038 0.000 0.816 1237 L CB 1.437 43.501 42.059 0.008 0.000 1.236 1237 L HN 0.688 nan 8.230 nan 0.000 0.419 1238 D N 1.814 122.287 120.400 0.122 0.000 2.449 1238 D HA 0.237 4.877 4.640 0.000 0.000 0.250 1238 D C -0.341 176.021 176.300 0.103 0.000 1.050 1238 D CA -0.016 54.091 54.000 0.178 0.000 1.024 1238 D CB 1.430 42.372 40.800 0.237 0.000 1.218 1238 D HN 0.363 nan 8.370 nan 0.000 0.566 1239 Q N 0.164 120.018 119.800 0.089 0.000 2.470 1239 Q HA -0.172 4.168 4.340 0.000 0.000 0.294 1239 Q C -0.482 175.535 176.000 0.028 0.000 1.356 1239 Q CA 0.363 56.208 55.803 0.069 0.000 0.805 1239 Q CB -1.843 26.945 28.738 0.083 0.000 1.157 1239 Q HN 0.471 nan 8.270 nan 0.000 0.431 1240 L N 2.017 123.209 121.223 -0.052 0.000 2.490 1240 L HA 0.120 4.460 4.340 0.000 0.000 0.274 1240 L C -1.053 175.791 176.870 -0.043 0.000 1.201 1240 L CA -1.096 53.652 54.840 -0.153 0.000 0.869 1240 L CB -0.203 41.557 42.059 -0.498 0.000 1.123 1240 L HN 0.010 nan 8.230 nan 0.000 0.484 1241 P HA 0.137 nan 4.420 nan 0.000 0.271 1241 P C -0.822 176.573 177.300 0.158 0.000 1.216 1241 P CA -0.175 62.966 63.100 0.069 0.000 0.771 1241 P CB 1.381 33.105 31.700 0.041 0.000 0.864 1242 V N 2.446 122.465 119.914 0.174 0.000 2.667 1242 V HA 0.760 4.880 4.120 0.000 0.000 0.308 1242 V C 0.903 177.057 176.094 0.101 0.000 1.048 1242 V CA -0.152 62.263 62.300 0.192 0.000 0.928 1242 V CB 1.709 33.628 31.823 0.160 0.000 1.004 1242 V HN 0.903 nan 8.190 nan 0.000 0.444 1243 G N 1.164 110.012 108.800 0.080 0.000 3.247 1243 G HA2 0.557 4.517 3.960 0.000 0.000 0.226 1243 G HA3 0.557 4.517 3.960 0.000 0.000 0.226 1243 G C 0.545 175.462 174.900 0.029 0.000 1.220 1243 G CA 0.571 45.700 45.100 0.049 0.000 0.875 1243 G HN 0.745 nan 8.290 nan 0.000 0.606 1244 Q N -1.448 118.365 119.800 0.022 0.000 1.921 1244 Q HA -0.170 4.170 4.340 0.000 0.000 0.208 1244 Q C 2.560 178.563 176.000 0.006 0.000 0.994 1244 Q CA 2.967 58.778 55.803 0.012 0.000 0.857 1244 Q CB -1.988 26.756 28.738 0.011 0.000 0.925 1244 Q HN 1.338 nan 8.270 nan 0.000 0.421 1245 N N -0.091 118.615 118.700 0.010 0.000 2.519 1245 N HA 0.371 5.111 4.740 0.000 0.000 0.186 1245 N C 1.466 176.971 175.510 -0.007 0.000 1.062 1245 N CA 1.782 54.834 53.050 0.003 0.000 0.910 1245 N CB -0.137 38.357 38.487 0.012 0.000 0.958 1245 N HN 1.582 nan 8.380 nan 0.000 0.445 1246 G N -1.877 106.924 108.800 0.001 0.000 2.250 1246 G HA2 0.019 3.979 3.960 0.000 0.000 0.196 1246 G HA3 0.019 3.979 3.960 0.000 0.000 0.196 1246 G C -0.806 174.140 174.900 0.077 0.000 1.308 1246 G CA -0.415 44.667 45.100 -0.029 0.000 1.207 1246 G HN 0.454 nan 8.290 nan 0.000 0.505 1247 Y N 0.911 121.223 120.300 0.018 0.000 2.805 1247 Y HA 0.222 4.772 4.550 0.000 0.000 0.331 1247 Y C 1.339 177.250 175.900 0.018 0.000 1.241 1247 Y CA -0.084 58.029 58.100 0.021 0.000 1.546 1247 Y CB 0.199 38.673 38.460 0.024 0.000 1.248 1247 Y HN 0.238 nan 8.280 nan 0.000 0.559 1248 I N 6.723 127.404 120.570 0.184 0.000 2.308 1248 I HA 0.124 4.294 4.170 0.000 0.000 0.293 1248 I C -0.477 175.675 176.117 0.057 0.000 1.078 1248 I CA 0.261 61.616 61.300 0.092 0.000 1.292 1248 I CB 0.060 38.098 38.000 0.063 0.000 1.423 1248 I HN 0.365 nan 8.210 nan 0.000 0.493 1249 L N 8.624 129.880 121.223 0.054 0.000 2.401 1249 L HA 0.509 4.849 4.340 0.000 0.000 0.266 1249 L C -2.422 174.458 176.870 0.017 0.000 0.991 1249 L CA -1.876 52.981 54.840 0.028 0.000 0.818 1249 L CB 2.530 44.617 42.059 0.045 0.000 1.321 1249 L HN 0.344 nan 8.230 nan 0.000 0.413 1250 P HA 0.167 nan 4.420 nan 0.000 0.273 1250 P C 0.649 177.944 177.300 -0.007 0.000 1.428 1250 P CA -0.234 62.860 63.100 -0.009 0.000 0.995 1250 P CB 0.654 32.342 31.700 -0.020 0.000 1.286 1251 L N 2.685 123.908 121.223 -0.001 0.000 2.131 1251 L HA -0.157 4.183 4.340 0.000 0.000 0.210 1251 L C 2.371 179.234 176.870 -0.012 0.000 1.092 1251 L CA 1.313 56.155 54.840 0.003 0.000 0.759 1251 L CB -0.524 41.541 42.059 0.009 0.000 0.903 1251 L HN 0.278 nan 8.230 nan 0.000 0.435 1252 I N -0.427 120.125 120.570 -0.031 0.000 2.233 1252 I HA -0.232 3.938 4.170 0.000 0.000 0.243 1252 I C 2.109 178.181 176.117 -0.076 0.000 1.093 1252 I CA 1.008 62.275 61.300 -0.055 0.000 1.380 1252 I CB -0.419 37.537 38.000 -0.072 0.000 1.067 1252 I HN 0.200 nan 8.210 nan 0.000 0.413 1253 D N 1.335 121.688 120.400 -0.077 0.000 2.106 1253 D HA -0.175 4.465 4.640 0.000 0.000 0.191 1253 D C 2.194 178.469 176.300 -0.041 0.000 0.997 1253 D CA 1.473 55.421 54.000 -0.087 0.000 0.834 1253 D CB -0.393 40.371 40.800 -0.060 0.000 0.956 1253 D HN 0.277 nan 8.370 nan 0.000 0.448 1254 L N 0.408 121.626 121.223 -0.009 0.000 2.465 1254 L HA -0.015 4.325 4.340 0.000 0.000 0.224 1254 L C 1.707 178.600 176.870 0.038 0.000 1.145 1254 L CA 0.733 55.590 54.840 0.028 0.000 0.834 1254 L CB -0.238 41.841 42.059 0.033 0.000 0.944 1254 L HN 0.033 nan 8.230 nan 0.000 0.451 1255 S N -3.017 112.689 115.700 0.011 0.000 2.568 1255 S HA 0.152 4.622 4.470 0.000 0.000 0.232 1255 S C 0.564 175.160 174.600 -0.006 0.000 0.975 1255 S CA -0.536 57.672 58.200 0.014 0.000 0.949 1255 S CB 0.081 63.286 63.200 0.008 0.000 0.829 1255 S HN 0.111 nan 8.310 nan 0.000 0.479 1256 T N 2.751 117.290 114.554 -0.025 0.000 2.855 1256 T HA 0.602 4.952 4.350 0.000 0.000 0.281 1256 T C -0.605 174.090 174.700 -0.009 0.000 1.007 1256 T CA -0.615 61.452 62.100 -0.055 0.000 1.009 1256 T CB 1.406 70.169 68.868 -0.174 0.000 0.983 1256 T HN 0.240 nan 8.240 nan 0.000 0.455 1257 L N 2.948 124.166 121.223 -0.009 0.000 2.295 1257 L HA 0.506 4.846 4.340 0.000 0.000 0.285 1257 L C -1.025 175.934 176.870 0.147 0.000 1.035 1257 L CA -1.129 53.687 54.840 -0.039 0.000 0.806 1257 L CB 0.869 42.785 42.059 -0.238 0.000 1.214 1257 L HN 0.627 nan 8.230 nan 0.000 0.426 1258 Y N 4.064 124.418 120.300 0.090 0.000 2.388 1258 Y HA 0.488 5.038 4.550 0.000 0.000 0.328 1258 Y C -0.930 174.924 175.900 -0.076 0.000 0.963 1258 Y CA -1.140 57.060 58.100 0.168 0.000 1.240 1258 Y CB 0.648 39.339 38.460 0.385 0.000 1.118 1258 Y HN 0.531 nan 8.280 nan 0.000 0.484 1259 N N 5.850 124.104 118.700 -0.743 0.000 2.312 1259 N HA 0.573 5.313 4.740 0.000 0.000 0.296 1259 N C -1.520 173.474 175.510 -0.861 0.000 1.193 1259 N CA -0.660 51.893 53.050 -0.828 0.000 0.773 1259 N CB 2.368 40.361 38.487 -0.822 0.000 1.435 1259 N HN 0.567 nan 8.380 nan 0.000 0.484 1260 L N 0.491 121.419 121.223 -0.493 0.000 2.346 1260 L HA 0.584 4.925 4.340 0.000 0.000 0.276 1260 L C 0.016 176.882 176.870 -0.008 0.000 1.006 1260 L CA -0.545 54.181 54.840 -0.189 0.000 0.817 1260 L CB 1.715 43.650 42.059 -0.207 0.000 1.272 1260 L HN 0.380 nan 8.230 nan 0.000 0.421 1261 E N 2.081 122.413 120.200 0.221 0.000 2.390 1261 E HA 0.343 4.693 4.350 0.000 0.000 0.277 1261 E C -1.507 175.192 176.600 0.165 0.000 0.939 1261 E CA -0.819 55.711 56.400 0.218 0.000 0.769 1261 E CB 3.090 33.003 29.700 0.354 0.000 1.251 1261 E HN 0.670 nan 8.360 nan 0.000 0.450 1262 N N -0.008 118.724 118.700 0.055 0.000 2.453 1262 N HA 0.566 5.306 4.740 0.000 0.000 0.290 1262 N C -1.086 174.461 175.510 0.062 0.000 1.250 1262 N CA -0.609 52.401 53.050 -0.066 0.000 0.815 1262 N CB 1.854 40.203 38.487 -0.230 0.000 1.381 1262 N HN 0.472 nan 8.380 nan 0.000 0.510 1263 S N -1.987 113.750 115.700 0.062 0.000 2.615 1263 S HA 0.864 5.334 4.470 0.000 0.000 0.269 1263 S C -1.657 173.009 174.600 0.110 0.000 1.161 1263 S CA -0.898 57.370 58.200 0.114 0.000 0.817 1263 S CB 1.097 64.406 63.200 0.181 0.000 1.131 1263 S HN 1.093 nan 8.310 nan 0.000 0.467 1264 A N 0.861 123.754 122.820 0.121 0.000 2.414 1264 A HA 0.840 5.160 4.320 0.000 0.000 0.306 1264 A C -1.161 176.509 177.584 0.144 0.000 1.054 1264 A CA -0.683 51.437 52.037 0.138 0.000 0.724 1264 A CB 1.610 20.692 19.000 0.136 0.000 1.267 1264 A HN 0.689 nan 8.150 nan 0.000 0.418 1265 Q N 0.096 120.006 119.800 0.183 0.000 2.372 1265 Q HA 0.726 5.066 4.340 0.000 0.000 0.273 1265 Q C -0.700 175.468 176.000 0.281 0.000 1.078 1265 Q CA -0.599 55.359 55.803 0.259 0.000 0.806 1265 Q CB 2.518 31.457 28.738 0.334 0.000 1.332 1265 Q HN 1.085 nan 8.270 nan 0.000 0.435 1266 A N -0.433 122.558 122.820 0.286 0.000 2.486 1266 A HA 0.908 5.228 4.320 0.000 0.000 0.289 1266 A C 0.208 177.908 177.584 0.194 0.000 1.176 1266 A CA -0.138 51.969 52.037 0.115 0.000 0.757 1266 A CB 1.613 20.652 19.000 0.064 0.000 1.337 1266 A HN 1.003 nan 8.150 nan 0.000 0.423 1267 G N -0.909 107.890 108.800 -0.002 0.000 2.155 1267 G HA2 0.015 3.975 3.960 0.000 0.000 0.135 1267 G HA3 0.015 3.975 3.960 0.000 0.000 0.135 1267 G C -0.402 174.480 174.900 -0.029 0.000 1.023 1267 G CA -0.081 45.077 45.100 0.096 0.000 0.688 1267 G HN 0.780 nan 8.290 nan 0.000 0.499 1268 L N 1.375 122.356 121.223 -0.403 0.000 2.397 1268 L HA 0.685 5.025 4.340 0.000 0.000 0.271 1268 L C 0.585 177.357 176.870 -0.163 0.000 1.148 1268 L CA 0.290 54.856 54.840 -0.457 0.000 0.825 1268 L CB 1.450 43.114 42.059 -0.658 0.000 1.117 1268 L HN 0.162 nan 8.230 nan 0.000 0.456 1269 T N 2.406 116.900 114.554 -0.099 0.000 2.916 1269 T HA 0.372 4.722 4.350 0.000 0.000 0.298 1269 T C -2.636 172.030 174.700 -0.057 0.000 1.031 1269 T CA -1.389 60.680 62.100 -0.051 0.000 0.993 1269 T CB 1.920 70.779 68.868 -0.014 0.000 1.045 1269 T HN 0.214 nan 8.240 nan 0.000 0.454 1270 P HA 0.053 nan 4.420 nan 0.000 0.261 1270 P C 0.364 177.635 177.300 -0.047 0.000 1.173 1270 P CA 0.439 63.513 63.100 -0.044 0.000 0.760 1270 P CB 0.146 31.830 31.700 -0.026 0.000 0.783 1271 N N -0.907 117.752 118.700 -0.069 0.000 2.753 1271 N HA -0.144 4.596 4.740 0.000 0.000 0.251 1271 N C -0.606 174.869 175.510 -0.058 0.000 1.097 1271 N CA 0.756 53.767 53.050 -0.066 0.000 0.786 1271 N CB -1.651 36.820 38.487 -0.027 0.000 1.137 1271 N HN 0.186 nan 8.380 nan 0.000 0.566 1272 V N 0.921 120.796 119.914 -0.065 0.000 2.555 1272 V HA 0.233 4.353 4.120 0.000 0.000 0.302 1272 V C 0.094 176.159 176.094 -0.048 0.000 1.038 1272 V CA -0.848 61.433 62.300 -0.033 0.000 0.887 1272 V CB 2.159 33.980 31.823 -0.003 0.000 0.991 1272 V HN -0.053 nan 8.190 nan 0.000 0.434 1273 D N 3.314 123.696 120.400 -0.029 0.000 2.434 1273 D HA 0.126 4.766 4.640 0.000 0.000 0.252 1273 D C -0.573 175.743 176.300 0.026 0.000 1.185 1273 D CA 0.497 54.475 54.000 -0.035 0.000 0.886 1273 D CB 0.418 41.220 40.800 0.004 0.000 1.148 1273 D HN 0.342 nan 8.370 nan 0.000 0.483 1274 F N 3.597 123.453 119.950 -0.157 0.000 2.385 1274 F HA 0.327 4.854 4.527 0.000 0.000 0.360 1274 F C -0.725 175.018 175.800 -0.096 0.000 1.122 1274 F CA -0.806 57.119 58.000 -0.125 0.000 1.090 1274 F CB 0.812 39.710 39.000 -0.171 0.000 1.150 1274 F HN -0.000 nan 8.300 nan 0.000 0.472 1275 V N 6.966 126.609 119.914 -0.451 0.000 2.384 1275 V HA 0.395 4.515 4.120 0.000 0.000 0.287 1275 V C -0.570 175.271 176.094 -0.422 0.000 1.020 1275 V CA -0.893 61.215 62.300 -0.320 0.000 0.850 1275 V CB 1.419 33.132 31.823 -0.183 0.000 0.987 1275 V HN 0.493 nan 8.190 nan 0.000 0.436 1276 V N 5.464 125.228 119.914 -0.251 0.000 2.328 1276 V HA 0.317 4.437 4.120 0.000 0.000 0.278 1276 V C 0.227 176.185 176.094 -0.227 0.000 1.021 1276 V CA -0.591 61.574 62.300 -0.226 0.000 0.838 1276 V CB 1.084 32.840 31.823 -0.112 0.000 0.999 1276 V HN 0.925 nan 8.190 nan 0.000 0.447 1277 Q N 3.218 122.895 119.800 -0.205 0.000 2.352 1277 Q HA 0.344 4.684 4.340 0.000 0.000 0.260 1277 Q C -1.144 174.608 176.000 -0.413 0.000 0.976 1277 Q CA -0.023 55.647 55.803 -0.222 0.000 0.881 1277 Q CB 0.980 29.645 28.738 -0.123 0.000 1.235 1277 Q HN 0.655 nan 8.270 nan 0.000 0.419 1278 Y N 0.205 120.250 120.300 -0.426 0.000 2.320 1278 Y HA 0.403 4.953 4.550 0.000 0.000 0.324 1278 Y C 0.481 175.937 175.900 -0.740 0.000 1.190 1278 Y CA -0.566 57.150 58.100 -0.639 0.000 1.215 1278 Y CB 1.079 39.126 38.460 -0.689 0.000 1.221 1278 Y HN 0.668 nan 8.280 nan 0.000 0.486 1279 A N 2.407 124.955 122.820 -0.454 0.000 2.272 1279 A HA 0.400 4.720 4.320 0.000 0.000 0.275 1279 A C -0.258 177.122 177.584 -0.340 0.000 1.096 1279 A CA -0.730 50.872 52.037 -0.725 0.000 0.822 1279 A CB 0.057 18.819 19.000 -0.397 0.000 1.088 1279 A HN 0.876 nan 8.150 nan 0.000 0.495 1280 N N -1.420 117.112 118.700 -0.279 0.000 2.447 1280 N HA 0.480 5.220 4.740 0.000 0.000 0.271 1280 N C 0.201 175.606 175.510 -0.176 0.000 1.226 1280 N CA -0.021 52.915 53.050 -0.190 0.000 0.980 1280 N CB 1.044 39.451 38.487 -0.133 0.000 1.206 1280 N HN 1.418 nan 8.380 nan 0.000 0.558 1281 L N -3.352 117.816 121.223 -0.090 0.000 3.121 1281 L HA -0.220 4.120 4.340 0.000 0.000 0.404 1281 L C -1.049 176.101 176.870 0.468 0.000 0.695 1281 L CA 1.593 56.539 54.840 0.175 0.000 3.096 1281 L CB -1.765 40.338 42.059 0.074 0.000 0.683 1281 L HN 0.745 nan 8.230 nan 0.000 0.743 1282 Y N 1.914 122.226 120.300 0.021 0.000 2.309 1282 Y HA 0.481 5.031 4.550 0.000 0.000 0.327 1282 Y C 0.802 176.708 175.900 0.011 0.000 1.172 1282 Y CA -0.919 57.055 58.100 -0.209 0.000 1.280 1282 Y CB 0.502 38.362 38.460 -1.000 0.000 1.234 1282 Y HN 0.070 nan 8.280 nan 0.000 0.512 1283 R N 3.862 124.458 120.500 0.160 0.000 2.280 1283 R HA 0.201 4.541 4.340 0.000 0.000 0.326 1283 R C -1.695 174.667 176.300 0.104 0.000 1.080 1283 R CA -0.642 55.551 56.100 0.154 0.000 1.002 1283 R CB 0.267 30.594 30.300 0.045 0.000 1.136 1283 R HN 0.578 nan 8.270 nan 0.000 0.509 1284 Y N 2.954 123.358 120.300 0.173 0.000 2.531 1284 Y HA 0.033 4.583 4.550 0.000 0.000 0.347 1284 Y C 1.561 177.521 175.900 0.099 0.000 1.024 1284 Y CA -0.189 58.027 58.100 0.193 0.000 1.306 1284 Y CB 0.607 39.191 38.460 0.207 0.000 1.149 1284 Y HN 0.440 nan 8.280 nan 0.000 0.527 1285 L N 1.911 123.253 121.223 0.199 0.000 2.162 1285 L HA 0.029 4.369 4.340 0.000 0.000 0.205 1285 L C 0.768 177.748 176.870 0.184 0.000 1.086 1285 L CA 0.624 55.523 54.840 0.099 0.000 0.778 1285 L CB -0.126 41.912 42.059 -0.034 0.000 0.928 1285 L HN 0.623 nan 8.230 nan 0.000 0.446 1286 S N -1.963 113.907 115.700 0.283 0.000 2.570 1286 S HA 0.602 5.072 4.470 0.000 0.000 0.270 1286 S C -0.614 174.172 174.600 0.311 0.000 1.149 1286 S CA -0.683 57.654 58.200 0.230 0.000 0.837 1286 S CB 2.381 65.768 63.200 0.313 0.000 1.124 1286 S HN -0.071 nan 8.310 nan 0.000 0.465 1287 T N 1.982 116.630 114.554 0.157 0.000 2.886 1287 T HA 0.613 4.963 4.350 0.000 0.000 0.292 1287 T C -0.934 173.736 174.700 -0.050 0.000 1.012 1287 T CA -0.421 61.718 62.100 0.066 0.000 0.982 1287 T CB 0.885 69.831 68.868 0.130 0.000 1.018 1287 T HN 0.660 nan 8.240 nan 0.000 0.451 1288 I N 2.273 122.744 120.570 -0.165 0.000 2.465 1288 I HA 0.709 4.879 4.170 0.000 0.000 0.291 1288 I C -0.379 175.595 176.117 -0.238 0.000 1.014 1288 I CA -0.980 60.279 61.300 -0.070 0.000 1.093 1288 I CB 1.751 39.815 38.000 0.105 0.000 1.267 1288 I HN 0.727 nan 8.210 nan 0.000 0.431 1289 A N 6.373 129.115 122.820 -0.130 0.000 2.335 1289 A HA 0.745 5.065 4.320 0.000 0.000 0.304 1289 A C -1.095 176.593 177.584 0.174 0.000 1.118 1289 A CA -0.472 51.505 52.037 -0.099 0.000 0.757 1289 A CB 1.375 20.206 19.000 -0.282 0.000 1.188 1289 A HN 0.395 nan 8.150 nan 0.000 0.460 1290 V N 3.311 123.355 119.914 0.217 0.000 2.370 1290 V HA 0.316 4.436 4.120 0.000 0.000 0.283 1290 V C -0.659 175.652 176.094 0.361 0.000 1.023 1290 V CA -0.389 62.086 62.300 0.291 0.000 0.857 1290 V CB 1.205 33.167 31.823 0.232 0.000 0.985 1290 V HN 0.778 nan 8.190 nan 0.000 0.443 1291 F N 5.322 125.390 119.950 0.196 0.000 2.406 1291 F HA 0.368 4.895 4.527 0.000 0.000 0.358 1291 F C 0.439 176.142 175.800 -0.161 0.000 1.161 1291 F CA -1.852 56.175 58.000 0.045 0.000 1.185 1291 F CB 0.179 39.225 39.000 0.076 0.000 1.421 1291 F HN 0.607 nan 8.300 nan 0.000 0.576 1292 D N 4.139 124.538 120.400 -0.001 0.000 2.435 1292 D HA -0.026 4.614 4.640 0.000 0.000 0.230 1292 D C -0.069 175.907 176.300 -0.541 0.000 1.215 1292 D CA 0.088 53.772 54.000 -0.527 0.000 0.947 1292 D CB -0.314 40.426 40.800 -0.101 0.000 1.048 1292 D HN 0.257 nan 8.370 nan 0.000 0.512 1293 N N 2.862 120.988 118.700 -0.957 0.000 3.178 1293 N HA 0.198 4.938 4.740 0.000 0.000 0.300 1293 N C 0.742 175.957 175.510 -0.492 0.000 1.242 1293 N CA 0.455 52.996 53.050 -0.848 0.000 1.192 1293 N CB -0.463 37.328 38.487 -1.160 0.000 1.463 1293 N HN 0.617 nan 8.380 nan 0.000 0.539 1294 G N 0.786 109.393 108.800 -0.321 0.000 2.295 1294 G HA2 -0.209 3.751 3.960 0.000 0.000 0.287 1294 G HA3 -0.209 3.751 3.960 0.000 0.000 0.287 1294 G C 0.964 175.740 174.900 -0.208 0.000 1.055 1294 G CA 0.510 45.489 45.100 -0.203 0.000 0.922 1294 G HN 1.085 nan 8.290 nan 0.000 0.503 1295 G N -2.338 106.296 108.800 -0.277 0.000 2.195 1295 G HA2 -0.053 3.907 3.960 0.000 0.000 0.246 1295 G HA3 -0.053 3.907 3.960 0.000 0.000 0.246 1295 G C 0.460 175.238 174.900 -0.203 0.000 0.984 1295 G CA 0.680 45.686 45.100 -0.156 0.000 0.633 1295 G HN 1.751 nan 8.290 nan 0.000 0.525 1296 S N 0.121 115.569 115.700 -0.419 0.000 2.489 1296 S HA 0.769 5.239 4.470 0.000 0.000 0.291 1296 S C -0.820 173.389 174.600 -0.651 0.000 1.151 1296 S CA -0.334 57.667 58.200 -0.331 0.000 1.082 1296 S CB 0.927 63.967 63.200 -0.267 0.000 1.019 1296 S HN 0.306 nan 8.310 nan 0.000 0.492 1297 F N 2.920 122.768 119.950 -0.170 0.000 2.445 1297 F HA 0.441 4.968 4.527 0.000 0.000 0.348 1297 F C 0.469 176.210 175.800 -0.100 0.000 1.125 1297 F CA -0.853 57.056 58.000 -0.152 0.000 0.983 1297 F CB 1.171 40.083 39.000 -0.147 0.000 1.198 1297 F HN 0.391 nan 8.300 nan 0.000 0.436 1298 N N 1.425 120.124 118.700 -0.001 0.000 2.430 1298 N HA 0.513 5.253 4.740 0.000 0.000 0.298 1298 N C -0.487 175.092 175.510 0.114 0.000 1.130 1298 N CA -0.706 52.365 53.050 0.034 0.000 0.894 1298 N CB 2.197 40.669 38.487 -0.024 0.000 1.209 1298 N HN 0.563 nan 8.380 nan 0.000 0.503 1299 A N 0.522 123.406 122.820 0.105 0.000 3.037 1299 A HA 0.469 4.789 4.320 0.000 0.000 0.272 1299 A C 1.330 179.024 177.584 0.183 0.000 1.723 1299 A CA 0.278 52.395 52.037 0.134 0.000 1.413 1299 A CB -1.394 17.664 19.000 0.096 0.000 1.112 1299 A HN 0.906 nan 8.150 nan 0.000 0.606 1300 G N 1.123 110.096 108.800 0.288 0.000 2.257 1300 G HA2 -0.418 3.542 3.960 0.000 0.000 0.267 1300 G HA3 -0.418 3.542 3.960 0.000 0.000 0.267 1300 G C 1.274 176.261 174.900 0.145 0.000 0.984 1300 G CA 1.609 46.871 45.100 0.269 0.000 0.626 1300 G HN 1.495 nan 8.290 nan 0.000 0.540 1301 T N -0.748 113.872 114.554 0.110 0.000 3.007 1301 T HA 0.062 4.412 4.350 0.000 0.000 0.270 1301 T C 1.504 176.235 174.700 0.051 0.000 1.107 1301 T CA 1.789 63.929 62.100 0.067 0.000 1.118 1301 T CB -0.193 68.703 68.868 0.046 0.000 0.889 1301 T HN 0.604 nan 8.240 nan 0.000 0.506 1302 D N 0.412 120.853 120.400 0.070 0.000 2.368 1302 D HA 0.228 4.868 4.640 0.000 0.000 0.218 1302 D C 0.214 176.597 176.300 0.139 0.000 1.112 1302 D CA -0.470 53.578 54.000 0.080 0.000 0.834 1302 D CB -0.272 40.537 40.800 0.016 0.000 0.953 1302 D HN 0.470 nan 8.370 nan 0.000 0.505 1303 I N 0.428 121.037 120.570 0.064 0.000 2.545 1303 I HA 0.222 4.392 4.170 0.000 0.000 0.292 1303 I C 0.642 176.710 176.117 -0.083 0.000 1.040 1303 I CA -0.881 60.384 61.300 -0.058 0.000 1.068 1303 I CB 2.125 40.026 38.000 -0.165 0.000 1.251 1303 I HN -0.271 nan 8.210 nan 0.000 0.424 1304 N N 3.692 122.294 118.700 -0.162 0.000 2.197 1304 N HA 0.013 4.753 4.740 0.000 0.000 0.184 1304 N C -0.592 174.922 175.510 0.006 0.000 1.030 1304 N CA 1.372 54.370 53.050 -0.087 0.000 0.851 1304 N CB 0.286 38.678 38.487 -0.157 0.000 1.003 1304 N HN 0.632 nan 8.380 nan 0.000 0.430 1305 Y N -1.937 118.281 120.300 -0.137 0.000 2.713 1305 Y HA 0.630 5.180 4.550 0.000 0.000 0.335 1305 Y C -1.784 173.934 175.900 -0.305 0.000 1.222 1305 Y CA -1.429 56.571 58.100 -0.166 0.000 1.061 1305 Y CB 0.473 38.879 38.460 -0.091 0.000 1.314 1305 Y HN -0.277 nan 8.280 nan 0.000 0.453 1306 L N 1.693 122.831 121.223 -0.142 0.000 2.333 1306 L HA 0.929 5.269 4.340 0.000 0.000 0.263 1306 L C -0.093 176.635 176.870 -0.236 0.000 1.014 1306 L CA -0.542 53.969 54.840 -0.548 0.000 0.820 1306 L CB 2.203 43.426 42.059 -1.393 0.000 1.352 1306 L HN 0.902 nan 8.230 nan 0.000 0.421 1307 S N -0.176 115.299 115.700 -0.374 0.000 2.636 1307 S HA 0.574 5.044 4.470 0.000 0.000 0.266 1307 S C -2.102 172.390 174.600 -0.180 0.000 1.147 1307 S CA -0.630 57.548 58.200 -0.037 0.000 0.815 1307 S CB 1.535 64.748 63.200 0.022 0.000 1.119 1307 S HN 0.577 nan 8.310 nan 0.000 0.470 1308 Q N 1.128 120.936 119.800 0.013 0.000 2.321 1308 Q HA 0.541 4.881 4.340 0.000 0.000 0.270 1308 Q C -1.017 175.004 176.000 0.034 0.000 1.032 1308 Q CA -0.596 55.240 55.803 0.054 0.000 0.784 1308 Q CB 2.353 31.175 28.738 0.140 0.000 1.264 1308 Q HN 0.558 nan 8.270 nan 0.000 0.448 1309 R N 1.021 121.542 120.500 0.036 0.000 2.686 1309 R HA 0.549 4.889 4.340 0.000 0.000 0.283 1309 R C -1.187 175.122 176.300 0.015 0.000 0.978 1309 R CA -0.338 55.770 56.100 0.014 0.000 0.897 1309 R CB 1.736 32.037 30.300 0.001 0.000 1.192 1309 R HN 0.699 nan 8.270 nan 0.000 0.457 1310 T N 0.757 115.311 114.554 0.000 0.000 2.794 1310 T HA 0.594 4.944 4.350 0.000 0.000 0.280 1310 T C 0.241 174.936 174.700 -0.009 0.000 0.987 1310 T CA -0.753 61.342 62.100 -0.007 0.000 0.993 1310 T CB 1.672 70.532 68.868 -0.013 0.000 0.939 1310 T HN 0.695 nan 8.240 nan 0.000 0.449 1311 A N 2.506 125.320 122.820 -0.010 0.000 2.566 1311 A HA 0.455 4.775 4.320 0.000 0.000 0.245 1311 A C 1.463 179.040 177.584 -0.011 0.000 1.056 1311 A CA 0.567 52.597 52.037 -0.010 0.000 0.757 1311 A CB -1.950 17.044 19.000 -0.010 0.000 0.979 1311 A HN 2.487 nan 8.150 nan 0.000 0.508 1312 N N -1.035 117.659 118.700 -0.010 0.000 2.756 1312 N HA 0.236 4.976 4.740 0.000 0.000 0.248 1312 N C 0.325 175.829 175.510 -0.010 0.000 1.062 1312 N CA 2.088 55.132 53.050 -0.010 0.000 0.696 1312 N CB -2.244 36.237 38.487 -0.009 0.000 0.946 1312 N HN 2.497 nan 8.380 nan 0.000 0.548 1313 F N -1.944 117.999 119.950 -0.011 0.000 3.281 1313 F HA 0.753 5.280 4.527 0.000 0.000 0.339 1313 F C 1.329 177.121 175.800 -0.014 0.000 1.275 1313 F CA 1.313 59.306 58.000 -0.012 0.000 0.843 1313 F CB -0.831 38.163 39.000 -0.011 0.000 1.717 1313 F HN 1.986 nan 8.300 nan 0.000 0.480 1314 S N 0.175 115.866 115.700 -0.015 0.000 3.160 1314 S HA -0.201 4.269 4.470 0.000 0.000 0.634 1314 S C -0.366 174.224 174.600 -0.018 0.000 2.861 1314 S CA 1.515 59.704 58.200 -0.019 0.000 3.097 1314 S CB -1.139 62.046 63.200 -0.025 0.000 0.331 1314 S HN 1.120 nan 8.310 nan 0.000 1.767 1315 D N 0.778 121.163 120.400 -0.026 0.000 2.302 1315 D HA 0.461 5.101 4.640 0.000 0.000 0.248 1315 D C 1.216 177.507 176.300 -0.016 0.000 1.094 1315 D CA 0.406 54.393 54.000 -0.021 0.000 0.897 1315 D CB 1.050 41.826 40.800 -0.039 0.000 1.200 1315 D HN 0.639 nan 8.370 nan 0.000 0.429 1316 T N -1.214 113.339 114.554 -0.003 0.000 3.044 1316 T HA 0.045 4.395 4.350 0.000 0.000 0.250 1316 T C 0.692 175.391 174.700 -0.001 0.000 1.081 1316 T CA -0.363 61.734 62.100 -0.005 0.000 1.040 1316 T CB -0.057 68.809 68.868 -0.004 0.000 0.962 1316 T HN 0.596 nan 8.240 nan 0.000 0.506 1317 R N 0.281 120.793 120.500 0.020 0.000 2.747 1317 R HA 0.305 4.645 4.340 0.000 0.000 0.200 1317 R C -0.949 175.422 176.300 0.117 0.000 1.438 1317 R CA -0.653 55.472 56.100 0.041 0.000 1.334 1317 R CB -0.334 29.966 30.300 0.000 0.000 1.523 1317 R HN 0.084 nan 8.270 nan 0.000 0.741 1318 K N 3.011 123.435 120.400 0.039 0.000 2.310 1318 K HA 0.323 4.643 4.320 0.000 0.000 0.290 1318 K C -0.967 175.653 176.600 0.034 0.000 1.077 1318 K CA -0.177 56.108 56.287 -0.004 0.000 0.922 1318 K CB 0.520 32.907 32.500 -0.189 0.000 1.057 1318 K HN 0.453 nan 8.250 nan 0.000 0.479 1319 L N 3.324 124.655 121.223 0.180 0.000 2.388 1319 L HA 0.340 4.680 4.340 0.000 0.000 0.264 1319 L C -0.424 176.578 176.870 0.221 0.000 0.998 1319 L CA -1.368 53.598 54.840 0.209 0.000 0.817 1319 L CB 2.050 44.307 42.059 0.330 0.000 1.338 1319 L HN 0.745 nan 8.230 nan 0.000 0.414 1320 D N 0.521 121.023 120.400 0.171 0.000 2.368 1320 D HA 0.136 4.776 4.640 0.000 0.000 0.240 1320 D C -2.111 174.302 176.300 0.188 0.000 1.169 1320 D CA -1.152 52.942 54.000 0.157 0.000 0.906 1320 D CB 0.621 41.493 40.800 0.120 0.000 1.187 1320 D HN 0.194 nan 8.370 nan 0.000 0.435 1321 P HA -0.200 nan 4.420 nan 0.000 0.216 1321 P C 1.002 178.473 177.300 0.285 0.000 1.153 1321 P CA 1.535 64.738 63.100 0.173 0.000 0.858 1321 P CB 0.110 31.880 31.700 0.117 0.000 0.789 1322 K N -1.199 119.329 120.400 0.214 0.000 2.097 1322 K HA -0.054 4.266 4.320 0.000 0.000 0.205 1322 K C 1.954 178.679 176.600 0.208 0.000 1.050 1322 K CA 1.603 58.010 56.287 0.200 0.000 0.938 1322 K CB -0.704 31.879 32.500 0.138 0.000 0.718 1322 K HN 0.157 nan 8.250 nan 0.000 0.442 1323 T N 0.521 115.194 114.554 0.200 0.000 2.904 1323 T HA -0.149 4.200 4.350 0.000 0.000 0.267 1323 T C 1.179 176.012 174.700 0.223 0.000 1.059 1323 T CA 0.649 62.852 62.100 0.171 0.000 1.137 1323 T CB -0.133 68.816 68.868 0.136 0.000 0.879 1323 T HN 0.430 nan 8.240 nan 0.000 0.467 1324 W N 2.150 123.520 121.300 0.117 0.000 2.381 1324 W HA -0.062 4.598 4.660 0.000 0.000 0.301 1324 W C 2.446 179.084 176.519 0.198 0.000 1.205 1324 W CA 1.217 58.652 57.345 0.150 0.000 1.285 1324 W CB -0.564 28.993 29.460 0.161 0.000 1.133 1324 W HN 0.289 nan 8.180 nan 0.000 0.521 1325 A N 0.882 123.996 122.820 0.490 0.000 1.972 1325 A HA -0.058 4.262 4.320 0.000 0.000 0.219 1325 A C 2.177 179.882 177.584 0.201 0.000 1.169 1325 A CA 2.466 54.724 52.037 0.369 0.000 0.635 1325 A CB -1.193 17.998 19.000 0.319 0.000 0.810 1325 A HN 0.287 nan 8.150 nan 0.000 0.446 1326 A N -0.741 122.171 122.820 0.153 0.000 1.902 1326 A HA -0.194 4.126 4.320 0.000 0.000 0.217 1326 A C 2.095 179.711 177.584 0.053 0.000 1.181 1326 A CA 1.688 53.778 52.037 0.088 0.000 0.623 1326 A CB -0.460 18.584 19.000 0.074 0.000 0.818 1326 A HN 0.509 nan 8.150 nan 0.000 0.443 1327 Q N -0.441 119.368 119.800 0.014 0.000 2.084 1327 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 1327 Q C 2.116 178.132 176.000 0.027 0.000 0.978 1327 Q CA 2.013 57.795 55.803 -0.036 0.000 0.844 1327 Q CB -1.326 27.305 28.738 -0.178 0.000 0.898 1327 Q HN 0.636 nan 8.270 nan 0.000 0.426 1328 T N 1.249 115.857 114.554 0.090 0.000 2.821 1328 T HA -0.074 4.276 4.350 0.000 0.000 0.267 1328 T C 1.819 176.582 174.700 0.105 0.000 1.046 1328 T CA 0.822 63.048 62.100 0.210 0.000 1.139 1328 T CB -0.063 69.026 68.868 0.367 0.000 0.871 1328 T HN 0.268 nan 8.240 nan 0.000 0.454 1329 R N 0.726 121.268 120.500 0.069 0.000 2.159 1329 R HA 0.015 4.355 4.340 0.000 0.000 0.237 1329 R C 2.445 178.748 176.300 0.006 0.000 1.131 1329 R CA 0.799 56.909 56.100 0.018 0.000 0.982 1329 R CB -0.085 30.230 30.300 0.026 0.000 0.868 1329 R HN 0.242 nan 8.270 nan 0.000 0.453 1330 R N 0.151 120.665 120.500 0.024 0.000 2.235 1330 R HA 0.016 4.356 4.340 0.000 0.000 0.213 1330 R C 1.850 178.164 176.300 0.023 0.000 1.059 1330 R CA 0.694 56.804 56.100 0.017 0.000 0.997 1330 R CB 0.032 30.343 30.300 0.019 0.000 0.884 1330 R HN 0.170 nan 8.270 nan 0.000 0.462 1331 R N 0.449 120.976 120.500 0.045 0.000 2.146 1331 R HA 0.152 4.492 4.340 0.000 0.000 0.206 1331 R C 2.029 178.312 176.300 -0.028 0.000 1.049 1331 R CA 0.771 56.905 56.100 0.056 0.000 1.029 1331 R CB 0.031 30.444 30.300 0.188 0.000 0.949 1331 R HN 0.313 nan 8.270 nan 0.000 0.471 1332 I N -3.937 116.576 120.570 -0.095 0.000 4.050 1332 I HA 0.479 4.649 4.170 0.000 0.000 0.327 1332 I C 0.484 176.506 176.117 -0.158 0.000 1.473 1332 I CA 0.098 61.287 61.300 -0.185 0.000 1.124 1332 I CB 0.890 38.647 38.000 -0.406 0.000 1.129 1332 I HN -0.036 nan 8.210 nan 0.000 0.428 1333 A N 0.252 123.013 122.820 -0.098 0.000 2.861 1333 A HA -0.215 4.105 4.320 0.000 0.000 0.261 1333 A C 0.644 178.178 177.584 -0.083 0.000 1.351 1333 A CA 1.684 53.676 52.037 -0.076 0.000 0.904 1333 A CB -2.304 16.654 19.000 -0.070 0.000 1.076 1333 A HN 0.815 nan 8.150 nan 0.000 0.729 1334 T N -1.869 112.617 114.554 -0.114 0.000 2.654 1334 T HA 0.494 4.844 4.350 0.000 0.000 0.303 1334 T C -2.144 172.476 174.700 -0.133 0.000 1.656 1334 T CA 0.135 62.171 62.100 -0.106 0.000 0.971 1334 T CB 0.928 69.725 68.868 -0.119 0.000 1.811 1334 T HN 0.284 nan 8.240 nan 0.000 0.483 1335 D N 0.609 120.951 120.400 -0.097 0.000 2.181 1335 D HA 0.517 5.157 4.640 0.000 0.000 0.248 1335 D C -0.252 175.964 176.300 -0.139 0.000 1.020 1335 D CA -0.114 53.851 54.000 -0.058 0.000 0.891 1335 D CB 0.815 41.629 40.800 0.023 0.000 1.187 1335 D HN 0.331 nan 8.370 nan 0.000 0.443 1336 F N 0.640 120.522 119.950 -0.113 0.000 2.399 1336 F HA 0.218 4.745 4.527 0.000 0.000 0.313 1336 F C -1.329 174.363 175.800 -0.180 0.000 1.202 1336 F CA -1.252 56.604 58.000 -0.241 0.000 1.192 1336 F CB 0.032 38.785 39.000 -0.412 0.000 1.256 1336 F HN 0.079 nan 8.300 nan 0.000 0.558 1337 P HA -0.004 nan 4.420 nan 0.000 0.270 1337 P C -1.196 176.129 177.300 0.042 0.000 1.227 1337 P CA -0.268 62.888 63.100 0.094 0.000 0.788 1337 P CB 0.327 32.177 31.700 0.250 0.000 0.926 1338 K N 1.098 121.532 120.400 0.058 0.000 2.530 1338 K HA 0.144 4.464 4.320 0.000 0.000 0.280 1338 K C 1.283 177.940 176.600 0.095 0.000 1.004 1338 K CA 1.234 57.556 56.287 0.059 0.000 1.071 1338 K CB -0.729 31.827 32.500 0.093 0.000 0.876 1338 K HN 0.857 nan 8.250 nan 0.000 0.487 1339 G N 1.173 109.978 108.800 0.009 0.000 2.179 1339 G HA2 -0.252 3.708 3.960 0.000 0.000 0.260 1339 G HA3 -0.252 3.708 3.960 0.000 0.000 0.260 1339 G C 0.016 174.862 174.900 -0.091 0.000 0.977 1339 G CA 0.041 45.210 45.100 0.115 0.000 0.641 1339 G HN 0.428 nan 8.290 nan 0.000 0.533 1340 V N 1.033 120.725 119.914 -0.370 0.000 2.370 1340 V HA 0.645 4.765 4.120 0.000 0.000 0.279 1340 V C -0.304 175.419 176.094 -0.619 0.000 1.029 1340 V CA -0.771 61.315 62.300 -0.356 0.000 0.870 1340 V CB 0.824 32.416 31.823 -0.384 0.000 0.984 1340 V HN 0.252 nan 8.190 nan 0.000 0.451 1341 Y N 4.264 124.608 120.300 0.073 0.000 2.376 1341 Y HA 0.603 5.153 4.550 0.000 0.000 0.340 1341 Y C -0.486 175.600 175.900 0.309 0.000 0.965 1341 Y CA -0.774 57.472 58.100 0.243 0.000 1.078 1341 Y CB 1.744 40.289 38.460 0.143 0.000 1.193 1341 Y HN 0.639 nan 8.280 nan 0.000 0.452 1342 Y N 2.441 123.030 120.300 0.482 0.000 2.468 1342 Y HA 0.681 5.231 4.550 0.000 0.000 0.342 1342 Y C -1.126 175.058 175.900 0.473 0.000 1.021 1342 Y CA -1.799 56.486 58.100 0.308 0.000 1.079 1342 Y CB 1.698 40.256 38.460 0.163 0.000 1.226 1342 Y HN 0.798 nan 8.280 nan 0.000 0.460 1343 C N 6.550 125.565 119.300 -0.475 0.000 2.505 1343 C HA 0.365 4.825 4.460 0.000 0.000 0.342 1343 C C -1.386 173.192 174.990 -0.687 0.000 1.121 1343 C CA -0.701 58.096 59.018 -0.368 0.000 1.306 1343 C CB -0.027 27.886 27.740 0.287 0.000 1.897 1343 C HN 0.887 nan 8.230 nan 0.000 0.446 1344 D N 3.976 124.060 120.400 -0.528 0.000 2.274 1344 D HA 0.322 4.962 4.640 0.000 0.000 0.239 1344 D C 0.037 176.294 176.300 -0.071 0.000 1.104 1344 D CA 0.239 54.106 54.000 -0.221 0.000 0.840 1344 D CB 0.789 41.598 40.800 0.016 0.000 1.100 1344 D HN 0.709 nan 8.370 nan 0.000 0.477 1345 N N 3.444 122.144 118.700 -0.000 0.000 2.451 1345 N HA 0.101 4.841 4.740 0.000 0.000 0.271 1345 N C 1.083 176.615 175.510 0.037 0.000 1.410 1345 N CA -0.160 52.902 53.050 0.019 0.000 0.884 1345 N CB 0.710 39.216 38.487 0.032 0.000 1.332 1345 N HN 0.357 nan 8.380 nan 0.000 0.498 1346 R N 0.476 121.008 120.500 0.053 0.000 2.081 1346 R HA -0.042 4.298 4.340 0.000 0.000 0.235 1346 R C 0.774 177.087 176.300 0.021 0.000 1.131 1346 R CA 1.143 57.272 56.100 0.048 0.000 0.960 1346 R CB 0.101 30.466 30.300 0.108 0.000 0.856 1346 R HN 0.117 nan 8.270 nan 0.000 0.436 1347 D N 0.390 120.806 120.400 0.027 0.000 2.224 1347 D HA -0.041 4.599 4.640 0.000 0.000 0.205 1347 D C 0.183 176.489 176.300 0.010 0.000 0.965 1347 D CA 1.253 55.263 54.000 0.017 0.000 0.852 1347 D CB 0.241 41.052 40.800 0.018 0.000 0.947 1347 D HN 0.115 nan 8.370 nan 0.000 0.494 1348 K N 0.824 121.231 120.400 0.012 0.000 2.752 1348 K HA 0.287 4.607 4.320 0.000 0.000 0.199 1348 K C -2.754 173.859 176.600 0.022 0.000 1.069 1348 K CA -1.427 54.868 56.287 0.015 0.000 1.033 1348 K CB 2.480 34.987 32.500 0.011 0.000 1.229 1348 K HN -0.127 nan 8.250 nan 0.000 0.572 1349 P HA -0.027 nan 4.420 nan 0.000 0.266 1349 P C -0.096 177.255 177.300 0.085 0.000 1.195 1349 P CA -0.195 62.939 63.100 0.058 0.000 0.768 1349 P CB 0.461 32.191 31.700 0.048 0.000 0.838 1350 I N 3.747 124.357 120.570 0.067 0.000 2.587 1350 I HA -0.018 4.152 4.170 0.000 0.000 0.284 1350 I C -0.047 176.195 176.117 0.209 0.000 1.134 1350 I CA 0.413 61.700 61.300 -0.021 0.000 1.410 1350 I CB -1.161 36.579 38.000 -0.432 0.000 1.392 1350 I HN 0.419 nan 8.210 nan 0.000 0.545 1351 Y N 6.241 126.544 120.300 0.006 0.000 2.317 1351 Y HA 0.159 4.709 4.550 0.000 0.000 0.329 1351 Y C 1.098 177.003 175.900 0.009 0.000 1.101 1351 Y CA -0.872 57.257 58.100 0.048 0.000 1.228 1351 Y CB 1.345 39.836 38.460 0.051 0.000 1.123 1351 Y HN 0.725 nan 8.280 nan 0.000 0.457 1352 T N 1.366 115.791 114.554 -0.215 0.000 2.770 1352 T HA 0.062 4.412 4.350 0.000 0.000 0.263 1352 T C 1.945 176.457 174.700 -0.313 0.000 1.039 1352 T CA 2.365 64.330 62.100 -0.225 0.000 1.142 1352 T CB -0.625 68.139 68.868 -0.173 0.000 0.868 1352 T HN 1.591 nan 8.240 nan 0.000 0.435 1353 L N -2.136 118.800 121.223 -0.479 0.000 3.211 1353 L HA 0.126 4.466 4.340 0.000 0.000 0.417 1353 L C 0.847 177.608 176.870 -0.182 0.000 0.707 1353 L CA 2.512 57.125 54.840 -0.377 0.000 2.938 1353 L CB -2.632 39.263 42.059 -0.273 0.000 0.825 1353 L HN 1.425 nan 8.230 nan 0.000 0.704 1354 Q N -1.852 117.865 119.800 -0.138 0.000 2.310 1354 Q HA 0.671 5.011 4.340 0.000 0.000 0.270 1354 Q C -0.494 175.486 176.000 -0.034 0.000 1.025 1354 Q CA -0.278 55.492 55.803 -0.055 0.000 0.772 1354 Q CB 0.849 29.564 28.738 -0.039 0.000 1.253 1354 Q HN 1.701 nan 8.270 nan 0.000 0.450 1355 Y N 1.556 121.802 120.300 -0.090 0.000 2.852 1355 Y HA 0.239 4.789 4.550 0.000 0.000 0.343 1355 Y C 1.608 177.472 175.900 -0.060 0.000 1.280 1355 Y CA 2.276 60.327 58.100 -0.082 0.000 1.604 1355 Y CB 0.140 38.548 38.460 -0.087 0.000 1.216 1355 Y HN 1.374 nan 8.280 nan 0.000 0.541 1356 G N 2.065 110.678 108.800 -0.311 0.000 2.157 1356 G HA2 -0.428 3.532 3.960 0.000 0.000 0.248 1356 G HA3 -0.428 3.532 3.960 0.000 0.000 0.248 1356 G C 0.800 175.665 174.900 -0.058 0.000 0.979 1356 G CA 0.688 45.706 45.100 -0.136 0.000 0.650 1356 G HN 1.079 nan 8.290 nan 0.000 0.529 1357 N N -1.052 117.608 118.700 -0.067 0.000 2.364 1357 N HA 0.321 5.061 4.740 0.000 0.000 0.183 1357 N C 0.986 176.476 175.510 -0.033 0.000 1.022 1357 N CA 2.024 55.048 53.050 -0.045 0.000 0.883 1357 N CB 0.153 38.604 38.487 -0.060 0.000 0.965 1357 N HN 1.059 nan 8.380 nan 0.000 0.438 1358 V N -1.052 118.845 119.914 -0.028 0.000 2.789 1358 V HA 0.822 4.942 4.120 0.000 0.000 0.311 1358 V C 0.371 176.568 176.094 0.172 0.000 1.073 1358 V CA -0.656 61.661 62.300 0.029 0.000 0.921 1358 V CB 1.506 33.294 31.823 -0.057 0.000 1.009 1358 V HN 0.526 nan 8.190 nan 0.000 0.426 1359 G N 1.605 110.518 108.800 0.188 0.000 2.619 1359 G HA2 0.673 4.633 3.960 0.000 0.000 0.296 1359 G HA3 0.673 4.633 3.960 0.000 0.000 0.296 1359 G C -1.940 173.105 174.900 0.242 0.000 1.334 1359 G CA -0.637 44.562 45.100 0.165 0.000 0.934 1359 G HN 0.487 nan 8.290 nan 0.000 0.476 1360 F N 1.832 121.778 119.950 -0.007 0.000 2.410 1360 F HA 0.637 5.164 4.527 0.000 0.000 0.349 1360 F C -0.221 175.553 175.800 -0.044 0.000 1.117 1360 F CA -0.512 57.512 58.000 0.040 0.000 1.104 1360 F CB 1.655 40.617 39.000 -0.063 0.000 1.122 1360 F HN 0.271 nan 8.300 nan 0.000 0.483 1361 V N 6.542 126.146 119.914 -0.517 0.000 2.513 1361 V HA 0.587 4.707 4.120 0.000 0.000 0.299 1361 V C -0.814 175.028 176.094 -0.420 0.000 1.035 1361 V CA -0.871 61.240 62.300 -0.314 0.000 0.889 1361 V CB 1.612 33.339 31.823 -0.160 0.000 0.988 1361 V HN 0.562 nan 8.190 nan 0.000 0.440 1362 V N 3.939 123.715 119.914 -0.229 0.000 2.482 1362 V HA 0.437 4.557 4.120 0.000 0.000 0.295 1362 V C -0.380 175.499 176.094 -0.359 0.000 1.026 1362 V CA -0.633 61.466 62.300 -0.335 0.000 0.856 1362 V CB 1.937 33.590 31.823 -0.283 0.000 1.001 1362 V HN 0.896 nan 8.190 nan 0.000 0.424 1363 N N 7.086 125.428 118.700 -0.597 0.000 2.546 1363 N HA 0.370 5.110 4.740 0.000 0.000 0.238 1363 N C -2.728 172.488 175.510 -0.490 0.000 0.984 1363 N CA -1.616 51.066 53.050 -0.612 0.000 0.935 1363 N CB 2.498 40.305 38.487 -1.134 0.000 1.122 1363 N HN 0.333 nan 8.380 nan 0.000 0.510 1364 P HA 0.144 nan 4.420 nan 0.000 0.279 1364 P C 0.199 177.427 177.300 -0.121 0.000 1.239 1364 P CA -0.197 62.765 63.100 -0.230 0.000 0.789 1364 P CB 2.088 33.646 31.700 -0.236 0.000 0.933 1365 K N 1.624 121.998 120.400 -0.044 0.000 2.128 1365 K HA 0.045 4.365 4.320 0.000 0.000 0.202 1365 K C 0.515 177.114 176.600 -0.002 0.000 1.050 1365 K CA 1.036 57.309 56.287 -0.025 0.000 0.966 1365 K CB 0.158 32.655 32.500 -0.006 0.000 0.759 1365 K HN 0.646 nan 8.250 nan 0.000 0.454 1366 T N -1.426 113.147 114.554 0.032 0.000 2.886 1366 T HA 0.517 4.867 4.350 0.000 0.000 0.292 1366 T C -0.861 173.869 174.700 0.050 0.000 1.012 1366 T CA -0.928 61.181 62.100 0.016 0.000 0.982 1366 T CB 2.022 70.882 68.868 -0.013 0.000 1.018 1366 T HN -0.180 nan 8.240 nan 0.000 0.451 1367 V N 4.146 124.071 119.914 0.019 0.000 2.443 1367 V HA 0.467 4.587 4.120 0.000 0.000 0.293 1367 V C -0.322 175.752 176.094 -0.034 0.000 1.021 1367 V CA -1.029 61.289 62.300 0.030 0.000 0.848 1367 V CB 1.313 33.144 31.823 0.013 0.000 0.998 1367 V HN 0.900 nan 8.190 nan 0.000 0.424 1368 N N 2.555 121.207 118.700 -0.081 0.000 2.413 1368 N HA 0.305 5.045 4.740 0.000 0.000 0.266 1368 N C -0.022 175.444 175.510 -0.073 0.000 1.238 1368 N CA -0.654 52.340 53.050 -0.093 0.000 0.972 1368 N CB 0.519 38.920 38.487 -0.143 0.000 1.210 1368 N HN 0.541 nan 8.380 nan 0.000 0.547 1369 Q N 1.224 120.986 119.800 -0.064 0.000 2.337 1369 Q HA 0.067 4.407 4.340 0.000 0.000 0.270 1369 Q C -0.095 175.873 176.000 -0.054 0.000 1.002 1369 Q CA 0.366 56.141 55.803 -0.048 0.000 0.888 1369 Q CB 0.097 28.812 28.738 -0.037 0.000 1.222 1369 Q HN 0.471 nan 8.270 nan 0.000 0.400 1370 N N -1.130 117.547 118.700 -0.038 0.000 2.776 1370 N HA -0.178 4.562 4.740 0.000 0.000 0.249 1370 N C -0.727 174.756 175.510 -0.044 0.000 1.111 1370 N CA 0.990 54.021 53.050 -0.032 0.000 0.711 1370 N CB -1.291 37.180 38.487 -0.027 0.000 1.065 1370 N HN 0.676 nan 8.380 nan 0.000 0.556 1371 A N 0.776 123.568 122.820 -0.046 0.000 2.351 1371 A HA 0.701 5.021 4.320 0.000 0.000 0.257 1371 A C 0.869 178.449 177.584 -0.007 0.000 1.087 1371 A CA 0.179 52.203 52.037 -0.022 0.000 0.798 1371 A CB 0.674 19.700 19.000 0.043 0.000 1.033 1371 A HN 0.478 nan 8.150 nan 0.000 0.488 1372 R N 0.550 121.080 120.500 0.051 0.000 2.709 1372 R HA 0.577 4.917 4.340 0.000 0.000 0.270 1372 R C -2.142 174.221 176.300 0.104 0.000 1.038 1372 R CA -0.927 55.187 56.100 0.023 0.000 0.872 1372 R CB 0.787 31.122 30.300 0.058 0.000 1.259 1372 R HN 0.452 nan 8.270 nan 0.000 0.473 1373 L N 2.519 123.790 121.223 0.081 0.000 2.296 1373 L HA 0.486 4.826 4.340 0.000 0.000 0.286 1373 L C -0.679 176.293 176.870 0.170 0.000 1.023 1373 L CA -1.045 53.876 54.840 0.135 0.000 0.812 1373 L CB 1.647 43.789 42.059 0.137 0.000 1.223 1373 L HN 0.447 nan 8.230 nan 0.000 0.421 1374 L N 4.766 126.116 121.223 0.212 0.000 2.262 1374 L HA 0.422 4.762 4.340 0.000 0.000 0.288 1374 L C -0.101 176.873 176.870 0.173 0.000 1.035 1374 L CA -0.286 54.712 54.840 0.263 0.000 0.820 1374 L CB 1.133 43.468 42.059 0.461 0.000 1.204 1374 L HN 0.488 nan 8.230 nan 0.000 0.424 1375 M N 2.406 122.008 119.600 0.003 0.000 2.367 1375 M HA 0.548 5.028 4.480 0.000 0.000 0.339 1375 M C 0.377 176.387 176.300 -0.484 0.000 1.177 1375 M CA -0.382 54.737 55.300 -0.301 0.000 1.068 1375 M CB 1.451 33.828 32.600 -0.371 0.000 1.602 1375 M HN 0.564 nan 8.290 nan 0.000 0.457 1376 G N 2.451 110.774 108.800 -0.795 0.000 2.687 1376 G HA2 0.695 4.655 3.960 0.000 0.000 0.301 1376 G HA3 0.695 4.655 3.960 0.000 0.000 0.301 1376 G C -2.033 172.398 174.900 -0.783 0.000 1.416 1376 G CA -0.285 44.135 45.100 -1.134 0.000 1.005 1376 G HN 0.581 nan 8.290 nan 0.000 0.509 1377 Y N 0.198 120.500 120.300 0.004 0.000 2.499 1377 Y HA 0.569 5.119 4.550 0.000 0.000 0.347 1377 Y C 0.287 176.421 175.900 0.389 0.000 0.987 1377 Y CA -0.910 57.398 58.100 0.348 0.000 1.044 1377 Y CB 2.734 41.522 38.460 0.546 0.000 1.245 1377 Y HN 0.420 nan 8.280 nan 0.000 0.461 1378 E N 2.362 122.870 120.200 0.514 0.000 2.176 1378 E HA 0.419 4.769 4.350 0.000 0.000 0.267 1378 E C -1.725 175.019 176.600 0.239 0.000 0.893 1378 E CA -0.759 55.784 56.400 0.238 0.000 0.761 1378 E CB 1.695 31.568 29.700 0.288 0.000 1.133 1378 E HN 0.561 nan 8.360 nan 0.000 0.409 1379 Y N 0.850 121.135 120.300 -0.025 0.000 2.670 1379 Y HA 0.588 5.138 4.550 0.000 0.000 0.334 1379 Y C -1.704 174.131 175.900 -0.109 0.000 1.185 1379 Y CA -1.444 56.548 58.100 -0.180 0.000 1.053 1379 Y CB 1.019 39.221 38.460 -0.430 0.000 1.298 1379 Y HN 0.307 nan 8.280 nan 0.000 0.459 1380 F N 0.648 120.695 119.950 0.163 0.000 2.522 1380 F HA 0.716 5.243 4.527 0.000 0.000 0.324 1380 F C 0.117 175.968 175.800 0.086 0.000 1.077 1380 F CA -0.945 57.100 58.000 0.074 0.000 0.944 1380 F CB 2.565 41.560 39.000 -0.008 0.000 1.175 1380 F HN 0.723 nan 8.300 nan 0.000 0.468 1381 T N 1.121 115.820 114.554 0.242 0.000 2.957 1381 T HA 0.278 4.628 4.350 0.000 0.000 0.336 1381 T C -1.063 173.687 174.700 0.083 0.000 1.462 1381 T CA -0.779 61.412 62.100 0.150 0.000 1.073 1381 T CB 1.214 70.128 68.868 0.077 0.000 1.319 1381 T HN 0.695 nan 8.240 nan 0.000 0.485 1382 S N 3.247 118.995 115.700 0.080 0.000 2.580 1382 S HA 0.356 4.826 4.470 0.000 0.000 0.274 1382 S C 1.257 175.883 174.600 0.044 0.000 1.329 1382 S CA -0.570 57.655 58.200 0.041 0.000 1.036 1382 S CB 0.946 64.172 63.200 0.043 0.000 0.919 1382 S HN 0.805 nan 8.310 nan 0.000 0.515 1383 R N 1.624 122.137 120.500 0.022 0.000 2.193 1383 R HA 0.044 4.384 4.340 0.000 0.000 0.229 1383 R C 1.640 177.963 176.300 0.039 0.000 1.110 1383 R CA 1.040 57.153 56.100 0.021 0.000 0.988 1383 R CB -1.760 28.553 30.300 0.021 0.000 0.871 1383 R HN 1.083 nan 8.270 nan 0.000 0.458 1384 T N -0.555 114.025 114.554 0.043 0.000 0.543 1384 T HA -0.186 4.164 4.350 0.000 0.000 0.774 1384 T C 0.285 175.008 174.700 0.039 0.000 0.992 1384 T CA 1.752 63.879 62.100 0.046 0.000 4.076 1384 T CB -0.835 68.069 68.868 0.060 0.000 2.302 1384 T HN 0.573 nan 8.240 nan 0.000 0.398 1385 E N 0.000 120.223 120.200 0.038 0.000 2.725 1385 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1385 E CA 0.000 nan 56.400 nan 0.000 0.976 1385 E CB 0.000 nan 29.700 nan 0.000 0.812 1385 E HN 0.000 nan 8.360 nan 0.000 0.440