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 1gw8_1_A DATA FIRST_RESID 1015 DATA SEQUENCE ALRNQAMAAN 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 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1015 A C 0.000 177.586 177.584 0.003 0.000 1.274 1015 A CA 0.000 52.040 52.037 0.005 0.000 0.836 1015 A CB 0.000 19.003 19.000 0.005 0.000 0.831 1016 L N 0.634 121.858 121.223 0.003 0.000 2.749 1016 L HA 0.382 4.722 4.340 0.000 0.000 0.245 1016 L C 2.202 179.071 176.870 -0.001 0.000 1.156 1016 L CA 2.413 57.254 54.840 0.001 0.000 0.890 1016 L CB -2.542 39.519 42.059 0.003 0.000 1.036 1016 L HN 1.281 nan 8.230 nan 0.000 0.441 1017 R N -0.228 120.271 120.500 -0.002 0.000 2.062 1017 R HA -0.127 4.213 4.340 0.000 0.000 0.229 1017 R C 2.403 178.698 176.300 -0.009 0.000 1.128 1017 R CA 2.341 58.437 56.100 -0.006 0.000 0.960 1017 R CB -2.134 28.163 30.300 -0.005 0.000 0.855 1017 R HN 0.972 nan 8.270 nan 0.000 0.432 1018 N N 1.523 120.218 118.700 -0.007 0.000 2.091 1018 N HA -0.326 4.414 4.740 0.000 0.000 0.193 1018 N C 2.186 177.690 175.510 -0.009 0.000 1.021 1018 N CA 1.965 55.010 53.050 -0.009 0.000 0.862 1018 N CB -0.564 37.920 38.487 -0.006 0.000 1.018 1018 N HN 0.836 nan 8.380 nan 0.000 0.429 1019 Q N -0.528 119.268 119.800 -0.006 0.000 2.079 1019 Q HA 0.067 4.407 4.340 0.000 0.000 0.200 1019 Q C 2.821 178.817 176.000 -0.007 0.000 0.974 1019 Q CA 1.337 57.137 55.803 -0.005 0.000 0.840 1019 Q CB -0.223 28.514 28.738 -0.002 0.000 0.898 1019 Q HN 0.750 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 2.141 179.715 177.584 -0.018 0.000 1.186 1020 A CA 1.467 53.498 52.037 -0.011 0.000 0.620 1020 A CB -0.513 18.480 19.000 -0.011 0.000 0.822 1020 A HN 0.270 nan 8.150 nan 0.000 0.443 1021 M N -0.603 118.983 119.600 -0.022 0.000 2.132 1021 M HA -0.108 4.372 4.480 0.000 0.000 0.263 1021 M C 2.557 178.842 176.300 -0.026 0.000 1.065 1021 M CA 1.345 56.627 55.300 -0.031 0.000 1.122 1021 M CB -0.515 32.065 32.600 -0.034 0.000 1.365 1021 M HN 0.479 nan 8.290 nan 0.000 0.411 1022 A N 0.662 123.471 122.820 -0.018 0.000 1.902 1022 A HA -0.063 4.257 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 2.035 54.064 52.037 -0.014 0.000 0.623 1022 A CB -0.893 18.101 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 -0.194 4.126 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 2.045 54.078 52.037 -0.006 0.000 0.616 1023 A CB -0.847 18.151 19.000 -0.003 0.000 0.823 1023 A HN 0.656 nan 8.150 nan 0.000 0.442 1024 N N -0.271 118.419 118.700 -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 1.898 54.935 53.050 -0.023 0.000 0.855 1024 N CB -0.363 38.102 38.487 -0.037 0.000 1.033 1024 N HN 0.294 nan 8.380 nan 0.000 0.423 1025 L N 1.086 122.293 121.223 -0.028 0.000 2.079 1025 L HA -0.134 4.206 4.340 0.000 0.000 0.210 1025 L C 2.336 179.196 176.870 -0.018 0.000 1.081 1025 L CA 1.782 56.606 54.840 -0.027 0.000 0.752 1025 L CB -1.149 40.894 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 2.118 178.116 176.000 -0.005 0.000 0.974 1026 Q CA 1.703 57.501 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 1.354 124.172 122.820 -0.004 0.000 1.933 1027 A HA -0.209 4.111 4.320 0.000 0.000 0.218 1027 A C 2.134 179.715 177.584 -0.006 0.000 1.175 1027 A CA 1.463 53.500 52.037 0.000 0.000 0.628 1027 A CB -0.681 18.322 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 2.083 1028 R HA -0.188 4.152 4.340 0.000 0.000 0.237 1028 R C 2.286 178.576 176.300 -0.016 0.000 1.137 1028 R CA 1.881 57.971 56.100 -0.018 0.000 0.951 1028 R CB -0.357 29.928 30.300 -0.024 0.000 0.851 1028 R HN 0.695 nan 8.270 nan 0.000 0.434 1029 Q N 0.100 119.891 119.800 -0.014 0.000 2.124 1029 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 1029 Q C 2.275 178.269 176.000 -0.010 0.000 0.977 1029 Q CA 1.529 57.325 55.803 -0.013 0.000 0.850 1029 Q CB -0.093 28.639 28.738 -0.011 0.000 0.901 1029 Q HN 0.475 nan 8.270 nan 0.000 0.429 1030 I N 0.169 120.736 120.570 -0.005 0.000 2.252 1030 I HA -0.232 3.938 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 0.746 62.046 61.300 0.001 0.000 1.385 1030 I CB -0.268 37.737 38.000 0.009 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 1.760 64.049 62.300 -0.018 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 -0.370 120.838 121.223 -0.025 0.000 2.083 1032 L HA -0.239 4.101 4.340 0.000 0.000 0.209 1032 L C 2.623 179.473 176.870 -0.034 0.000 1.083 1032 L CA 1.990 56.808 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 0.438 nan 8.230 nan 0.000 0.433 1033 Q N -0.605 119.184 119.800 -0.019 0.000 2.083 1033 Q HA -0.194 4.146 4.340 0.000 0.000 0.198 1033 Q C 2.165 178.169 176.000 0.006 0.000 0.969 1033 Q CA 1.137 56.935 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 0.296 120.102 119.800 0.010 0.000 2.250 1034 Q HA 0.054 4.394 4.340 0.000 0.000 0.200 1034 Q C 1.239 177.264 176.000 0.043 0.000 0.941 1034 Q CA 0.748 56.567 55.803 0.028 0.000 0.872 1034 Q CB 0.429 29.183 28.738 0.026 0.000 0.965 1034 Q HN 0.346 nan 8.270 nan 0.000 0.480 1035 S N -0.565 115.149 115.700 0.025 0.000 2.634 1035 S HA 0.320 4.790 4.470 0.000 0.000 0.261 1035 S C -0.580 174.065 174.600 0.075 0.000 1.271 1035 S CA -0.632 57.593 58.200 0.042 0.000 0.985 1035 S CB 0.780 63.983 63.200 0.004 0.000 0.968 1035 S HN 0.205 nan 8.310 nan 0.000 0.568 1036 Y N 0.838 121.118 120.300 -0.034 0.000 2.391 1036 Y HA 0.525 5.075 4.550 0.000 0.000 0.341 1036 Y C -2.830 173.014 175.900 -0.093 0.000 0.965 1036 Y CA -2.283 55.786 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 0.030 62.913 63.100 -0.361 0.000 0.776 1037 P CB 1.059 32.519 31.700 -0.400 0.000 0.888 1038 V N 4.732 124.432 119.914 -0.357 0.000 2.760 1038 V HA 0.466 4.586 4.120 0.000 0.000 0.309 1038 V C -0.276 175.627 176.094 -0.317 0.000 1.077 1038 V CA -0.633 61.448 62.300 -0.364 0.000 0.910 1038 V CB 2.345 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 3.703 124.226 120.570 -0.079 0.000 2.418 1039 I HA 0.628 4.798 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 61.251 61.300 0.074 0.000 1.104 1039 I CB 1.518 39.555 38.000 0.060 0.000 1.264 1039 I HN 0.843 nan 8.210 nan 0.000 0.438 1040 Q N 6.676 126.680 119.800 0.340 0.000 2.331 1040 Q HA 0.296 4.636 4.340 0.000 0.000 0.272 1040 Q C -1.445 174.780 176.000 0.375 0.000 1.062 1040 Q CA -0.756 55.268 55.803 0.369 0.000 0.806 1040 Q CB 2.244 31.199 28.738 0.360 0.000 1.312 1040 Q HN 0.729 nan 8.270 nan 0.000 0.431 1041 Q N 2.047 122.000 119.800 0.256 0.000 2.311 1041 Q HA 0.166 4.506 4.340 0.000 0.000 0.272 1041 Q C 0.204 176.215 176.000 0.018 0.000 1.012 1041 Q CA 0.177 55.924 55.803 -0.093 0.000 0.891 1041 Q CB 0.978 29.585 28.738 -0.218 0.000 1.201 1041 Q HN 0.644 nan 8.270 nan 0.000 0.391 1042 V N 0.091 120.012 119.914 0.010 0.000 3.570 1042 V HA 0.430 4.550 4.120 0.000 0.000 0.257 1042 V C 0.075 176.183 176.094 0.023 0.000 1.272 1042 V CA 0.426 62.762 62.300 0.060 0.000 1.079 1042 V CB 0.402 32.302 31.823 0.128 0.000 0.829 1042 V HN 0.834 nan 8.190 nan 0.000 0.454 1043 E N -0.624 119.567 120.200 -0.015 0.000 2.400 1043 E HA 0.521 4.871 4.350 0.000 0.000 0.285 1043 E C -1.581 174.962 176.600 -0.094 0.000 1.005 1043 E CA -0.295 56.094 56.400 -0.018 0.000 0.816 1043 E CB 2.194 31.937 29.700 0.071 0.000 1.220 1043 E HN 0.270 nan 8.360 nan 0.000 0.426 1044 T N 2.555 116.990 114.554 -0.198 0.000 2.909 1044 T HA 0.559 4.909 4.350 0.000 0.000 0.299 1044 T C -1.394 173.003 174.700 -0.503 0.000 1.073 1044 T CA -0.642 61.248 62.100 -0.350 0.000 0.999 1044 T CB 1.780 70.515 68.868 -0.223 0.000 1.098 1044 T HN 0.475 nan 8.240 nan 0.000 0.477 1045 Q N 0.790 120.107 119.800 -0.805 0.000 2.438 1045 Q HA 0.555 4.895 4.340 0.000 0.000 0.272 1045 Q C -1.825 173.879 176.000 -0.493 0.000 0.994 1045 Q CA -0.583 54.824 55.803 -0.660 0.000 0.887 1045 Q CB 1.929 30.168 28.738 -0.832 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 -1.157 173.562 174.700 0.032 0.000 1.000 1046 T CA -0.400 61.612 62.100 -0.146 0.000 0.977 1046 T CB 0.467 69.252 68.868 -0.138 0.000 0.979 1046 T HN 0.475 nan 8.240 nan 0.000 0.446 1047 F N -0.492 119.363 119.950 -0.158 0.000 2.745 1047 F HA 0.740 5.267 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 -1.261 56.711 58.000 -0.046 0.000 0.937 1047 F CB 1.246 40.285 39.000 0.065 0.000 1.361 1047 F HN 0.330 nan 8.300 nan 0.000 0.472 1048 D N 1.382 121.864 120.400 0.136 0.000 2.381 1048 D HA 0.426 5.066 4.640 0.000 0.000 0.235 1048 D C -2.170 174.267 176.300 0.228 0.000 1.068 1048 D CA -2.406 51.626 54.000 0.053 0.000 0.832 1048 D CB 2.290 43.142 40.800 0.087 0.000 1.101 1048 D HN 0.205 nan 8.370 nan 0.000 0.515 1049 P HA -0.117 nan 4.420 nan 0.000 0.220 1049 P C 0.905 178.331 177.300 0.211 0.000 1.144 1049 P CA 0.998 64.236 63.100 0.230 0.000 0.800 1049 P CB 0.313 32.022 31.700 0.014 0.000 0.772 1050 A N -0.724 122.205 122.820 0.183 0.000 2.015 1050 A HA -0.174 4.146 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 1.585 53.712 52.037 0.149 0.000 0.646 1050 A CB -0.828 18.249 19.000 0.129 0.000 0.806 1050 A HN 0.163 nan 8.150 nan 0.000 0.448 1051 N N -1.416 117.366 118.700 0.137 0.000 2.387 1051 N HA 0.102 4.842 4.740 0.000 0.000 0.176 1051 N C 0.748 176.299 175.510 0.067 0.000 1.022 1051 N CA 0.576 53.686 53.050 0.100 0.000 0.883 1051 N CB 0.204 38.757 38.487 0.110 0.000 1.019 1051 N HN 0.559 nan 8.380 nan 0.000 0.435 1052 R N -0.744 119.820 120.500 0.107 0.000 2.664 1052 R HA 0.262 4.602 4.340 0.000 0.000 0.266 1052 R C -0.929 175.371 176.300 -0.001 0.000 1.046 1052 R CA -0.070 56.000 56.100 -0.049 0.000 0.885 1052 R CB 0.727 30.887 30.300 -0.235 0.000 1.254 1052 R HN 0.059 nan 8.270 nan 0.000 0.465 1053 S N 0.105 115.725 115.700 -0.134 0.000 2.800 1053 S HA 0.214 4.684 4.470 0.000 0.000 0.266 1053 S C -0.679 173.935 174.600 0.024 0.000 1.029 1053 S CA -0.319 57.932 58.200 0.085 0.000 1.302 1053 S CB 0.857 64.184 63.200 0.210 0.000 1.212 1053 S HN 0.146 nan 8.310 nan 0.000 0.683 1054 V N 2.880 122.577 119.914 -0.363 0.000 2.448 1054 V HA 0.678 4.798 4.120 0.000 0.000 0.295 1054 V C -1.342 174.365 176.094 -0.644 0.000 1.025 1054 V CA -0.422 61.699 62.300 -0.298 0.000 0.859 1054 V CB 0.998 32.687 31.823 -0.223 0.000 0.988 1054 V HN 0.426 nan 8.190 nan 0.000 0.431 1055 F N 2.143 122.020 119.950 -0.121 0.000 2.576 1055 F HA 0.509 5.036 4.527 0.000 0.000 0.313 1055 F C -0.073 175.646 175.800 -0.135 0.000 1.078 1055 F CA -0.845 57.085 58.000 -0.117 0.000 0.921 1055 F CB 1.966 40.911 39.000 -0.091 0.000 1.232 1055 F HN 0.382 nan 8.300 nan 0.000 0.459 1056 D N 2.586 123.021 120.400 0.059 0.000 2.453 1056 D HA 0.362 5.002 4.640 0.000 0.000 0.238 1056 D C -1.180 175.126 176.300 0.010 0.000 1.088 1056 D CA -0.086 53.905 54.000 -0.016 0.000 0.854 1056 D CB 1.651 42.417 40.800 -0.056 0.000 1.076 1056 D HN 0.220 nan 8.370 nan 0.000 0.533 1057 V N 3.362 123.255 119.914 -0.035 0.000 2.546 1057 V HA 0.277 4.397 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 62.056 62.300 -0.027 0.000 0.981 1057 V CB 1.684 33.460 31.823 -0.077 0.000 0.990 1057 V HN 0.531 nan 8.190 nan 0.000 0.474 1058 T N 7.273 121.813 114.554 -0.023 0.000 2.801 1058 T HA 0.384 4.734 4.350 0.000 0.000 0.306 1058 T C -2.332 172.373 174.700 0.009 0.000 1.020 1058 T CA -0.867 61.219 62.100 -0.022 0.000 0.948 1058 T CB 1.199 70.061 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 -0.562 62.623 63.100 0.141 0.000 0.793 1059 P CB 0.473 32.360 31.700 0.311 0.000 1.011 1060 A N 1.175 124.045 122.820 0.084 0.000 2.327 1060 A HA 0.229 4.549 4.320 0.000 0.000 0.283 1060 A C 0.011 177.571 177.584 -0.040 0.000 1.127 1060 A CA -0.473 51.561 52.037 -0.004 0.000 0.810 1060 A CB -0.379 18.585 19.000 -0.059 0.000 1.066 1060 A HN 0.572 nan 8.150 nan 0.000 0.492 1061 N N 0.918 119.596 118.700 -0.037 0.000 2.868 1061 N HA 0.362 5.102 4.740 0.000 0.000 0.252 1061 N C -1.167 174.295 175.510 -0.080 0.000 1.130 1061 N CA -0.029 53.001 53.050 -0.033 0.000 1.026 1061 N CB 0.939 39.426 38.487 0.000 0.000 1.335 1061 N HN 0.390 nan 8.380 nan 0.000 0.516 1062 V N 1.572 121.380 119.914 -0.176 0.000 2.733 1062 V HA 0.675 4.795 4.120 0.000 0.000 0.306 1062 V C 0.635 176.623 176.094 -0.176 0.000 1.084 1062 V CA 0.176 62.349 62.300 -0.211 0.000 0.905 1062 V CB 0.941 32.537 31.823 -0.379 0.000 1.010 1062 V HN 0.760 nan 8.190 nan 0.000 0.424 1063 G N 6.262 115.042 108.800 -0.032 0.000 2.594 1063 G HA2 -0.265 3.695 3.960 0.000 0.000 0.297 1063 G HA3 -0.265 3.695 3.960 0.000 0.000 0.297 1063 G C -0.097 174.810 174.900 0.012 0.000 1.273 1063 G CA 0.542 45.653 45.100 0.017 0.000 0.974 1063 G HN 1.248 nan 8.290 nan 0.000 0.552 1064 I N 0.766 121.365 120.570 0.047 0.000 2.312 1064 I HA 0.374 4.544 4.170 0.000 0.000 0.290 1064 I C 0.391 176.549 176.117 0.067 0.000 1.008 1064 I CA -0.723 60.597 61.300 0.032 0.000 1.226 1064 I CB 1.570 39.574 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 -0.280 61.993 62.300 -0.044 0.000 0.955 1065 V CB 1.115 32.866 31.823 -0.120 0.000 0.988 1065 V HN 0.754 nan 8.190 nan 0.000 0.471 1066 K N 2.925 123.266 120.400 -0.097 0.000 2.276 1066 K HA 0.458 4.778 4.320 0.000 0.000 0.198 1066 K C 0.806 177.315 176.600 -0.153 0.000 1.052 1066 K CA 0.721 56.990 56.287 -0.030 0.000 0.984 1066 K CB 0.770 33.337 32.500 0.112 0.000 0.836 1066 K HN 0.899 nan 8.250 nan 0.000 0.490 1067 G N 0.224 108.716 108.800 -0.513 0.000 2.320 1067 G HA2 0.388 4.348 3.960 0.000 0.000 0.296 1067 G HA3 0.388 4.348 3.960 0.000 0.000 0.296 1067 G C -1.976 172.058 174.900 -1.445 0.000 1.306 1067 G CA -0.996 43.438 45.100 -1.110 0.000 0.836 1067 G HN -0.002 nan 8.290 nan 0.000 0.517 1068 F N -0.455 118.893 119.950 -1.003 0.000 2.547 1068 F HA 0.643 5.170 4.527 0.000 0.000 0.316 1068 F C -0.222 175.441 175.800 -0.229 0.000 1.121 1068 F CA -0.808 56.949 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 4.617 126.095 121.223 0.425 0.000 2.265 1069 L HA 0.699 5.039 4.340 0.000 0.000 0.289 1069 L C -1.035 176.173 176.870 0.563 0.000 1.033 1069 L CA -0.479 54.749 54.840 0.647 0.000 0.814 1069 L CB 1.077 43.569 42.059 0.721 0.000 1.203 1069 L HN 0.400 nan 8.230 nan 0.000 0.423 1070 V N 5.641 125.851 119.914 0.493 0.000 2.347 1070 V HA 0.401 4.521 4.120 0.000 0.000 0.280 1070 V C 0.039 176.328 176.094 0.325 0.000 1.021 1070 V CA -0.790 61.740 62.300 0.383 0.000 0.847 1070 V CB 1.187 33.168 31.823 0.263 0.000 0.990 1070 V HN 0.714 nan 8.190 nan 0.000 0.444 1071 K N 4.277 124.784 120.400 0.178 0.000 2.211 1071 K HA 0.704 5.024 4.320 0.000 0.000 0.275 1071 K C -1.390 175.208 176.600 -0.003 0.000 1.024 1071 K CA -0.388 55.749 56.287 -0.251 0.000 0.887 1071 K CB 1.595 33.957 32.500 -0.230 0.000 1.084 1071 K HN 0.504 nan 8.250 nan 0.000 0.463 1072 V N 3.524 123.421 119.914 -0.028 0.000 2.531 1072 V HA 0.360 4.480 4.120 0.000 0.000 0.301 1072 V C -0.380 175.745 176.094 0.052 0.000 1.034 1072 V CA -0.834 61.550 62.300 0.141 0.000 0.865 1072 V CB 1.671 33.705 31.823 0.351 0.000 0.995 1072 V HN 1.000 nan 8.190 nan 0.000 0.424 1073 T N 1.320 115.894 114.554 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 61.577 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 1.354 nan 8.240 nan 0.000 0.481 1074 A N 0.833 123.704 122.820 0.085 0.000 2.594 1074 A HA 0.909 5.229 4.320 0.000 0.000 0.295 1074 A C -0.951 176.724 177.584 0.152 0.000 1.071 1074 A CA -0.807 51.311 52.037 0.135 0.000 0.685 1074 A CB 1.272 20.457 19.000 0.308 0.000 1.285 1074 A HN 1.657 nan 8.150 nan 0.000 0.405 1075 A N 1.368 124.280 122.820 0.154 0.000 2.318 1075 A HA 0.766 5.086 4.320 0.000 0.000 0.317 1075 A C -0.832 176.818 177.584 0.110 0.000 1.159 1075 A CA -0.288 51.808 52.037 0.098 0.000 0.799 1075 A CB 0.369 19.397 19.000 0.047 0.000 1.194 1075 A HN 0.747 nan 8.150 nan 0.000 0.479 1076 I N 2.096 122.676 120.570 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 2.411 40.325 38.000 -0.142 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 -0.053 174.491 174.700 -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 69.601 68.868 -0.110 0.000 0.930 1077 T HN 0.384 nan 8.240 nan 0.000 0.447 1078 N N 2.957 121.518 118.700 -0.233 0.000 2.521 1078 N HA 0.072 4.812 4.740 0.000 0.000 0.236 1078 N C 0.653 176.083 175.510 -0.132 0.000 1.067 1078 N CA -0.244 52.669 53.050 -0.228 0.000 0.939 1078 N CB 0.189 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 2.278 120.903 118.700 -0.125 0.000 2.383 1079 N HA -0.109 4.631 4.740 0.000 0.000 0.192 1079 N C -0.193 175.285 175.510 -0.054 0.000 1.141 1079 N CA -0.205 52.795 53.050 -0.083 0.000 0.851 1079 N CB 0.103 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 -0.308 118.695 119.070 -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 1.344 31.055 29.762 -0.085 0.000 1.401 1080 H HN 0.178 nan 8.280 nan 0.000 0.609 1081 A N 2.405 125.019 122.820 -0.343 0.000 1.898 1081 A HA -0.111 4.209 4.320 0.000 0.000 0.216 1081 A C 1.879 179.492 177.584 0.048 0.000 1.181 1081 A CA 2.072 54.028 52.037 -0.135 0.000 0.620 1081 A CB -0.461 18.417 19.000 -0.203 0.000 0.819 1081 A HN 0.870 nan 8.150 nan 0.000 0.442 1082 T N -4.827 109.891 114.554 0.274 0.000 3.046 1082 T HA 0.206 4.556 4.350 0.000 0.000 0.270 1082 T C -0.075 174.702 174.700 0.129 0.000 0.920 1082 T CA -0.297 61.910 62.100 0.178 0.000 0.874 1082 T CB 0.206 69.141 68.868 0.111 0.000 1.214 1082 T HN 0.175 nan 8.240 nan 0.000 0.536 1083 E N 1.597 121.861 120.200 0.106 0.000 2.204 1083 E HA 0.755 5.106 4.350 0.000 0.000 0.276 1083 E C -0.252 176.236 176.600 -0.187 0.000 0.974 1083 E CA -0.450 55.819 56.400 -0.218 0.000 0.815 1083 E CB 2.018 31.365 29.700 -0.588 0.000 1.119 1083 E HN 0.516 nan 8.360 nan 0.000 0.393 1084 A N 1.908 124.654 122.820 -0.124 0.000 2.247 1084 A HA 0.728 5.048 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 -0.542 51.438 52.037 -0.095 0.000 0.890 1084 A CB 0.784 19.753 19.000 -0.052 0.000 1.239 1084 A HN 0.399 nan 8.150 nan 0.000 0.506 1085 V N -4.084 115.795 119.914 -0.059 0.000 3.078 1085 V HA 0.950 5.070 4.120 0.000 0.000 0.311 1085 V C -0.245 175.932 176.094 0.139 0.000 1.138 1085 V CA -0.330 61.984 62.300 0.025 0.000 1.007 1085 V CB 1.125 32.965 31.823 0.028 0.000 1.045 1085 V HN 1.913 nan 8.190 nan 0.000 0.432 1086 A N 2.438 125.397 122.820 0.231 0.000 2.454 1086 A HA 0.851 5.171 4.320 0.000 0.000 0.302 1086 A C -0.562 177.153 177.584 0.218 0.000 1.079 1086 A CA -0.994 51.197 52.037 0.257 0.000 0.731 1086 A CB 1.466 20.530 19.000 0.107 0.000 1.299 1086 A HN 1.106 nan 8.150 nan 0.000 0.413 1087 L N 1.883 123.123 121.223 0.029 0.000 2.543 1087 L HA 0.123 4.463 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 0.165 54.814 54.840 -0.318 0.000 0.871 1087 L CB 0.369 42.275 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 0.758 175.370 174.700 -0.147 0.000 0.981 1088 T CA -0.788 61.204 62.100 -0.179 0.000 0.955 1088 T CB 0.788 69.515 68.868 -0.236 0.000 1.060 1088 T HN 0.504 nan 8.240 nan 0.000 0.531 1089 D N -0.220 120.066 120.400 -0.190 0.000 2.178 1089 D HA -0.017 4.623 4.640 0.000 0.000 0.201 1089 D C 1.526 177.968 176.300 0.237 0.000 0.980 1089 D CA 1.066 55.045 54.000 -0.034 0.000 0.842 1089 D CB -0.227 40.505 40.800 -0.112 0.000 0.948 1089 D HN 0.472 nan 8.370 nan 0.000 0.472 1090 F N 0.188 120.063 119.950 -0.124 0.000 2.473 1090 F HA 0.245 4.772 4.527 0.000 0.000 0.294 1090 F C 2.187 177.932 175.800 -0.091 0.000 1.103 1090 F CA 0.413 58.376 58.000 -0.062 0.000 1.442 1090 F CB -0.951 37.981 39.000 -0.114 0.000 1.097 1090 F HN -0.027 nan 8.300 nan 0.000 0.547 1091 G N 2.681 111.498 108.800 0.029 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 -1.117 173.755 174.900 -0.047 0.000 1.286 1091 G CA 0.559 45.596 45.100 -0.105 0.000 1.004 1091 G HN 0.209 nan 8.290 nan 0.000 0.548 1092 P HA 0.039 nan 4.420 nan 0.000 0.228 1092 P C 1.601 178.912 177.300 0.019 0.000 1.151 1092 P CA 2.272 65.381 63.100 0.015 0.000 0.770 1092 P CB -0.378 31.324 31.700 0.004 0.000 0.786 1093 A N 0.054 122.846 122.820 -0.047 0.000 2.172 1093 A HA -0.094 4.226 4.320 0.000 0.000 0.216 1093 A C 1.838 179.557 177.584 0.224 0.000 1.154 1093 A CA 0.993 52.998 52.037 -0.054 0.000 0.701 1093 A CB -0.971 17.887 19.000 -0.235 0.000 0.789 1093 A HN 0.125 nan 8.150 nan 0.000 0.465 1094 N N -0.385 118.445 118.700 0.217 0.000 2.268 1094 N HA 0.184 4.924 4.740 0.000 0.000 0.204 1094 N C 1.055 176.708 175.510 0.238 0.000 1.124 1094 N CA 0.076 53.277 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 -0.248 121.150 121.223 0.292 0.000 2.201 1095 L HA -0.004 4.336 4.340 0.000 0.000 0.212 1095 L C 0.303 177.351 176.870 0.297 0.000 1.105 1095 L CA 0.786 55.826 54.840 0.333 0.000 0.775 1095 L CB 0.225 42.503 42.059 0.365 0.000 0.913 1095 L HN -0.120 nan 8.230 nan 0.000 0.440 1096 V N -0.099 119.914 119.914 0.165 0.000 2.384 1096 V HA 0.130 4.250 4.120 0.000 0.000 0.287 1096 V C 0.532 176.532 176.094 -0.157 0.000 1.020 1096 V CA -0.549 61.616 62.300 -0.225 0.000 0.850 1096 V CB 1.709 33.082 31.823 -0.750 0.000 0.987 1096 V HN 0.162 nan 8.190 nan 0.000 0.436 1097 Q N 3.507 123.225 119.800 -0.136 0.000 2.123 1097 Q HA 0.195 4.535 4.340 0.000 0.000 0.196 1097 Q C 0.470 176.377 176.000 -0.155 0.000 0.958 1097 Q CA 1.020 56.786 55.803 -0.062 0.000 0.841 1097 Q CB 0.463 29.198 28.738 -0.005 0.000 0.915 1097 Q HN 0.627 nan 8.270 nan 0.000 0.455 1098 R N -1.052 119.306 120.500 -0.237 0.000 2.739 1098 R HA 0.633 4.973 4.340 0.000 0.000 0.271 1098 R C -1.375 174.737 176.300 -0.314 0.000 1.010 1098 R CA -0.521 55.429 56.100 -0.249 0.000 0.897 1098 R CB 2.253 32.453 30.300 -0.165 0.000 1.236 1098 R HN -0.187 nan 8.270 nan 0.000 0.466 1099 V N 2.557 122.304 119.914 -0.280 0.000 2.841 1099 V HA 0.620 4.740 4.120 0.000 0.000 0.310 1099 V C -0.767 175.213 176.094 -0.189 0.000 1.090 1099 V CA -0.679 61.457 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 3.681 124.159 120.570 -0.152 0.000 2.607 1100 I HA 0.453 4.623 4.170 0.000 0.000 0.290 1100 I C -1.742 174.324 176.117 -0.085 0.000 1.129 1100 I CA -0.705 60.516 61.300 -0.132 0.000 1.042 1100 I CB 2.379 40.312 38.000 -0.113 0.000 1.242 1100 I HN 0.688 nan 8.210 nan 0.000 0.421 1101 Y N 6.242 126.397 120.300 -0.241 0.000 2.376 1101 Y HA 0.593 5.143 4.550 0.000 0.000 0.340 1101 Y C -1.712 174.063 175.900 -0.207 0.000 0.965 1101 Y CA -0.697 57.296 58.100 -0.177 0.000 1.078 1101 Y CB 1.285 39.648 38.460 -0.162 0.000 1.193 1101 Y HN 0.361 nan 8.280 nan 0.000 0.452 1102 Y N 4.661 124.451 120.300 -0.849 0.000 2.364 1102 Y HA 0.294 4.844 4.550 0.000 0.000 0.340 1102 Y C -0.103 175.259 175.900 -0.897 0.000 0.975 1102 Y CA -1.030 56.730 58.100 -0.567 0.000 1.089 1102 Y CB 1.167 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 2.696 122.949 120.400 -0.246 0.000 2.451 1103 D HA 0.237 4.877 4.640 0.000 0.000 0.259 1103 D C -2.207 174.094 176.300 0.001 0.000 1.201 1103 D CA -2.287 51.667 54.000 -0.077 0.000 1.028 1103 D CB 0.384 41.326 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 -0.040 177.285 177.300 0.043 0.000 1.145 1104 P CA 1.016 64.138 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 -1.681 118.763 120.400 0.073 0.000 2.358 1105 D HA 0.034 4.674 4.640 0.000 0.000 0.224 1105 D C 0.466 176.811 176.300 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 0.635 119.380 118.700 0.076 0.000 2.800 1106 N HA -0.260 4.480 4.740 0.000 0.000 0.250 1106 N C -0.162 175.463 175.510 0.191 0.000 1.078 1106 N CA 0.189 53.303 53.050 0.106 0.000 0.804 1106 N CB -0.425 38.092 38.487 0.049 0.000 1.135 1106 N HN 0.157 nan 8.380 nan 0.000 0.565 1107 Q N 1.620 121.523 119.800 0.173 0.000 2.256 1107 Q HA 0.354 4.694 4.340 0.000 0.000 0.254 1107 Q C -0.517 175.575 176.000 0.153 0.000 0.916 1107 Q CA -0.242 55.647 55.803 0.144 0.000 0.932 1107 Q CB 0.877 29.677 28.738 0.103 0.000 1.207 1107 Q HN 0.182 nan 8.270 nan 0.000 0.426 1108 R N 2.948 123.450 120.500 0.003 0.000 2.441 1108 R HA 0.283 4.623 4.340 0.000 0.000 0.284 1108 R C 0.261 176.569 176.300 0.013 0.000 1.070 1108 R CA -0.143 55.860 56.100 -0.161 0.000 1.047 1108 R CB 0.690 30.777 30.300 -0.355 0.000 1.016 1108 R HN 0.821 nan 8.270 nan 0.000 0.477 1109 H N 0.197 119.229 119.070 -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 -0.366 55.661 56.048 -0.036 0.000 0.741 1109 H CB 0.277 30.088 29.762 0.081 0.000 1.615 1109 H HN 0.380 nan 8.280 nan 0.000 0.266 1110 T N 1.528 116.087 114.554 0.008 0.000 2.916 1110 T HA 0.090 4.440 4.350 0.000 0.000 0.303 1110 T C 0.110 174.745 174.700 -0.108 0.000 1.025 1110 T CA 0.460 62.487 62.100 -0.123 0.000 1.142 1110 T CB 0.323 69.081 68.868 -0.184 0.000 0.947 1110 T HN 0.394 nan 8.240 nan 0.000 0.544 1111 E N 2.201 122.341 120.200 -0.100 0.000 2.642 1111 E HA 0.431 4.781 4.350 0.000 0.000 0.284 1111 E C -0.779 175.779 176.600 -0.071 0.000 1.039 1111 E CA -0.473 55.869 56.400 -0.096 0.000 0.777 1111 E CB 0.909 30.561 29.700 -0.079 0.000 1.473 1111 E HN 0.589 nan 8.360 nan 0.000 0.388 1112 T N 0.974 115.459 114.554 -0.114 0.000 2.671 1112 T HA 0.463 4.813 4.350 0.000 0.000 0.300 1112 T C -0.910 173.657 174.700 -0.223 0.000 1.238 1112 T CA -0.194 61.834 62.100 -0.121 0.000 1.020 1112 T CB 1.050 69.917 68.868 -0.003 0.000 1.503 1112 T HN 0.419 nan 8.240 nan 0.000 0.497 1113 S N -0.045 115.450 115.700 -0.342 0.000 2.617 1113 S HA 0.489 4.959 4.470 0.000 0.000 0.269 1113 S C 1.620 175.956 174.600 -0.440 0.000 1.292 1113 S CA 0.054 57.976 58.200 -0.463 0.000 1.010 1113 S CB 0.859 63.542 63.200 -0.861 0.000 0.944 1113 S HN 1.071 nan 8.310 nan 0.000 0.536 1114 G N 1.080 109.680 108.800 -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 1.322 176.212 174.900 -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 0.195 121.452 121.300 -0.072 0.000 2.388 1115 W HA -0.024 4.636 4.660 0.000 0.000 0.294 1115 W C 1.785 177.993 176.519 -0.519 0.000 1.212 1115 W CA 0.836 57.953 57.345 -0.381 0.000 1.271 1115 W CB -1.033 28.165 29.460 -0.436 0.000 1.126 1115 W HN 0.416 nan 8.180 nan 0.000 0.535 1116 H N 1.266 119.976 119.070 -0.601 0.000 2.357 1116 H HA -0.180 4.376 4.556 0.000 0.000 0.301 1116 H C 2.351 177.573 175.328 -0.176 0.000 1.082 1116 H CA 1.787 57.614 56.048 -0.369 0.000 1.342 1116 H CB -0.123 29.256 29.762 -0.639 0.000 1.389 1116 H HN 0.119 nan 8.280 nan 0.000 0.511 1117 L N 1.057 122.059 121.223 -0.370 0.000 2.042 1117 L HA -0.217 4.123 4.340 0.000 0.000 0.210 1117 L C 2.589 179.361 176.870 -0.163 0.000 1.076 1117 L CA 2.456 57.114 54.840 -0.304 0.000 0.749 1117 L CB -1.111 40.838 42.059 -0.183 0.000 0.893 1117 L HN 0.374 nan 8.230 nan 0.000 0.432 1118 H N -1.037 117.958 119.070 -0.124 0.000 2.353 1118 H HA -0.187 4.369 4.556 0.000 0.000 0.300 1118 H C 1.930 177.239 175.328 -0.033 0.000 1.090 1118 H CA 2.230 58.199 56.048 -0.131 0.000 1.327 1118 H CB -0.587 29.069 29.762 -0.177 0.000 1.383 1118 H HN 0.473 nan 8.280 nan 0.000 0.508 1119 F N -0.731 119.103 119.950 -0.192 0.000 2.216 1119 F HA -0.163 4.364 4.527 0.000 0.000 0.300 1119 F C 2.538 178.272 175.800 -0.110 0.000 1.085 1119 F CA 0.561 58.500 58.000 -0.102 0.000 1.326 1119 F CB -0.056 38.930 39.000 -0.023 0.000 1.027 1119 F HN 0.087 nan 8.300 nan 0.000 0.497 1120 V N 0.250 120.150 119.914 -0.024 0.000 2.427 1120 V HA -0.285 3.835 4.120 0.000 0.000 0.248 1120 V C 1.667 177.701 176.094 -0.101 0.000 1.051 1120 V CA 1.950 64.219 62.300 -0.051 0.000 1.048 1120 V CB -0.771 30.951 31.823 -0.169 0.000 0.666 1120 V HN 0.376 nan 8.190 nan 0.000 0.456 1121 N N -0.300 118.253 118.700 -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 -0.200 37.626 38.487 -1.103 0.000 1.008 1121 N HN 0.418 nan 8.380 nan 0.000 0.424 1122 T N 0.574 115.026 114.554 -0.170 0.000 2.708 1122 T HA -0.090 4.260 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 63.259 62.100 -0.052 0.000 1.146 1122 T CB -0.334 68.476 68.868 -0.096 0.000 0.865 1122 T HN 0.331 nan 8.240 nan 0.000 0.435 1123 A N 1.899 124.687 122.820 -0.052 0.000 1.908 1123 A HA -0.154 4.166 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 1.398 53.367 52.037 -0.113 0.000 0.627 1123 A CB -0.333 18.561 19.000 -0.177 0.000 0.818 1123 A HN 0.290 nan 8.150 nan 0.000 0.445 1124 K N -0.633 119.758 120.400 -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 1.442 57.710 56.287 -0.031 0.000 0.948 1124 K CB -0.236 32.218 32.500 -0.075 0.000 0.728 1124 K HN 0.766 nan 8.250 nan 0.000 0.448 1125 Q N -0.062 119.736 119.800 -0.005 0.000 2.187 1125 Q HA -0.076 4.264 4.340 0.000 0.000 0.199 1125 Q C 0.648 176.632 176.000 -0.028 0.000 0.957 1125 Q CA 1.305 57.111 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 0.188 45.255 45.100 -0.054 0.000 0.660 1126 G HN 0.825 nan 8.290 nan 0.000 0.525 1127 A N -1.283 121.488 122.820 -0.083 0.000 2.586 1127 A HA 0.794 5.114 4.320 0.000 0.000 0.291 1127 A C -3.145 174.398 177.584 -0.069 0.000 1.062 1127 A CA -0.763 51.218 52.037 -0.095 0.000 0.666 1127 A CB 0.705 19.661 19.000 -0.074 0.000 1.281 1127 A HN 0.151 nan 8.150 nan 0.000 0.421 1128 P HA 0.120 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 0.548 63.657 63.100 0.015 0.000 0.762 1128 P CB -0.158 31.552 31.700 0.018 0.000 0.764 1129 F N 5.764 125.715 119.950 0.002 0.000 2.604 1129 F HA -0.068 4.459 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 0.382 58.393 58.000 0.019 0.000 1.227 1129 F CB -0.402 38.635 39.000 0.061 0.000 1.016 1129 F HN 0.275 nan 8.300 nan 0.000 0.556 1130 L N 3.582 124.433 121.223 -0.620 0.000 3.839 1130 L HA -0.323 4.017 4.340 0.000 0.000 0.416 1130 L C 0.622 177.338 176.870 -0.258 0.000 1.195 1130 L CA 0.557 55.051 54.840 -0.576 0.000 0.946 1130 L CB -2.345 39.219 42.059 -0.825 0.000 1.891 1130 L HN 0.733 nan 8.230 nan 0.000 0.963 1131 S N -1.834 113.779 115.700 -0.145 0.000 2.645 1131 S HA 0.532 5.002 4.470 0.000 0.000 0.266 1131 S C 0.317 174.865 174.600 -0.086 0.000 1.258 1131 S CA -0.029 58.126 58.200 -0.076 0.000 0.990 1131 S CB 2.194 65.376 63.200 -0.031 0.000 0.967 1131 S HN 0.278 nan 8.310 nan 0.000 0.556 1132 S N 1.547 117.213 115.700 -0.056 0.000 2.498 1132 S HA 0.403 4.873 4.470 0.000 0.000 0.324 1132 S C -0.358 174.220 174.600 -0.038 0.000 1.071 1132 S CA -0.836 57.336 58.200 -0.048 0.000 1.113 1132 S CB -0.045 63.138 63.200 -0.027 0.000 0.976 1132 S HN 0.786 nan 8.310 nan 0.000 0.462 1133 M N 5.978 125.548 119.600 -0.050 0.000 2.238 1133 M HA 0.382 4.862 4.480 0.000 0.000 0.347 1133 M C -1.087 175.192 176.300 -0.034 0.000 1.173 1133 M CA -0.228 55.044 55.300 -0.047 0.000 1.147 1133 M CB 0.637 33.199 32.600 -0.063 0.000 1.547 1133 M HN 0.423 nan 8.290 nan 0.000 0.455 1134 V N 4.648 124.548 119.914 -0.024 0.000 2.465 1134 V HA 0.503 4.623 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 -0.243 62.050 62.300 -0.013 0.000 0.938 1134 V CB 1.073 32.893 31.823 -0.006 0.000 0.986 1134 V HN 1.022 nan 8.190 nan 0.000 0.467 1135 T N -0.236 114.312 114.554 -0.011 0.000 2.838 1135 T HA 0.347 4.697 4.350 0.000 0.000 0.292 1135 T C 0.258 174.960 174.700 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 70.747 68.868 -0.040 0.000 1.259 1135 T HN 0.632 nan 8.240 nan 0.000 0.520 1136 D N -0.061 120.341 120.400 0.003 0.000 2.336 1136 D HA 0.074 4.714 4.640 0.000 0.000 0.229 1136 D C 0.657 176.974 176.300 0.028 0.000 1.061 1136 D CA -0.177 53.830 54.000 0.012 0.000 0.875 1136 D CB -0.380 40.423 40.800 0.006 0.000 0.904 1136 D HN 0.390 nan 8.370 nan 0.000 0.525 1137 S N 1.786 117.513 115.700 0.043 0.000 2.544 1137 S HA 0.080 4.550 4.470 0.000 0.000 0.290 1137 S C -1.046 173.607 174.600 0.088 0.000 1.276 1137 S CA -0.928 57.323 58.200 0.085 0.000 1.075 1137 S CB 0.996 64.295 63.200 0.165 0.000 0.849 1137 S HN 0.100 nan 8.310 nan 0.000 0.494 1138 P HA 0.066 nan 4.420 nan 0.000 0.225 1138 P C 0.116 177.432 177.300 0.026 0.000 1.156 1138 P CA 0.324 63.447 63.100 0.037 0.000 0.787 1138 P CB -0.039 31.675 31.700 0.023 0.000 0.802 1139 I N 1.173 121.771 120.570 0.047 0.000 2.648 1139 I HA -0.020 4.150 4.170 0.000 0.000 0.284 1139 I C 1.322 177.379 176.117 -0.100 0.000 1.153 1139 I CA 0.277 61.544 61.300 -0.055 0.000 1.426 1139 I CB 0.179 38.137 38.000 -0.071 0.000 1.381 1139 I HN -0.269 nan 8.210 nan 0.000 0.571 1140 K N 6.641 126.934 120.400 -0.177 0.000 3.233 1140 K HA 0.084 4.404 4.320 0.000 0.000 0.283 1140 K C -0.708 175.801 176.600 -0.151 0.000 1.209 1140 K CA -0.006 56.207 56.287 -0.123 0.000 1.197 1140 K CB -0.565 31.882 32.500 -0.088 0.000 1.431 1140 K HN 0.388 nan 8.250 nan 0.000 0.326 1141 Y N 0.427 120.715 120.300 -0.019 0.000 2.296 1141 Y HA 0.303 4.853 4.550 0.000 0.000 0.343 1141 Y C 1.547 177.433 175.900 -0.023 0.000 1.292 1141 Y CA 0.573 58.659 58.100 -0.024 0.000 1.490 1141 Y CB 0.913 39.357 38.460 -0.028 0.000 1.359 1141 Y HN 0.448 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 -0.043 3.917 3.960 0.000 0.000 0.265 1142 G HA3 -0.043 3.917 3.960 0.000 0.000 0.265 1142 G C -1.790 173.133 174.900 0.039 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 0.522 120.936 120.400 0.022 0.000 2.508 1143 D HA 0.443 5.083 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 0.694 41.501 40.800 0.011 0.000 1.073 1143 D HN 0.244 nan 8.370 nan 0.000 0.513 1144 V N 2.836 122.756 119.914 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 0.781 63.084 62.300 0.004 0.000 1.065 1144 V CB -0.123 31.699 31.823 -0.002 0.000 0.717 1144 V HN 0.555 nan 8.190 nan 0.000 0.467 1145 M N -0.415 119.187 119.600 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 0.093 55.398 55.300 0.009 0.000 1.010 1145 M CB -0.650 31.947 32.600 -0.005 0.000 1.457 1145 M HN 0.387 nan 8.290 nan 0.000 0.486 1146 N N 1.150 119.864 118.700 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 53.337 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 0.156 nan 8.380 nan 0.000 0.541 1147 V N -0.198 119.736 119.914 0.032 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 1.558 63.887 62.300 0.049 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 -1.141 175.014 176.117 0.062 0.000 1.009 1148 I CA -0.305 61.056 61.300 0.101 0.000 1.111 1148 I CB 1.760 39.799 38.000 0.066 0.000 1.262 1148 I HN 0.222 nan 8.210 nan 0.000 0.443 1149 D N 5.445 125.887 120.400 0.069 0.000 2.736 1149 D HA 0.802 5.442 4.640 0.000 0.000 0.223 1149 D C -1.611 174.733 176.300 0.073 0.000 1.231 1149 D CA -0.304 53.733 54.000 0.062 0.000 0.818 1149 D CB 2.317 43.157 40.800 0.066 0.000 1.587 1149 D HN 0.680 nan 8.370 nan 0.000 0.463 1150 A N 2.623 125.488 122.820 0.075 0.000 2.555 1150 A HA 0.631 4.951 4.320 0.000 0.000 0.297 1150 A C -2.847 174.815 177.584 0.131 0.000 1.060 1150 A CA -1.206 50.900 52.037 0.114 0.000 0.710 1150 A CB 1.157 20.207 19.000 0.084 0.000 1.282 1150 A HN 0.433 nan 8.150 nan 0.000 0.399 1151 P HA 0.339 nan 4.420 nan 0.000 0.268 1151 P C 1.075 178.506 177.300 0.218 0.000 1.204 1151 P CA 0.532 63.731 63.100 0.165 0.000 0.768 1151 P CB 1.119 32.902 31.700 0.139 0.000 0.842 1152 A N 3.033 125.936 122.820 0.138 0.000 1.978 1152 A HA -0.022 4.298 4.320 0.000 0.000 0.220 1152 A C 1.007 178.708 177.584 0.196 0.000 1.170 1152 A CA 1.999 54.111 52.037 0.124 0.000 0.636 1152 A CB -0.906 18.139 19.000 0.073 0.000 0.810 1152 A HN 0.643 nan 8.150 nan 0.000 0.448 1153 T N -3.860 110.801 114.554 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 0.038 0.000 1.158 1153 T CA -0.621 61.567 62.100 0.147 0.000 1.007 1153 T CB 1.492 70.400 68.868 0.068 0.000 1.186 1153 T HN 0.167 nan 8.240 nan 0.000 0.499 1154 I N 1.740 122.254 120.570 -0.093 0.000 2.439 1154 I HA 0.572 4.742 4.170 0.000 0.000 0.283 1154 I C 0.616 176.653 176.117 -0.133 0.000 1.023 1154 I CA -1.105 60.086 61.300 -0.182 0.000 1.100 1154 I CB 1.443 39.198 38.000 -0.409 0.000 1.238 1154 I HN 1.033 nan 8.210 nan 0.000 0.445 1155 A N 4.729 127.500 122.820 -0.082 0.000 2.346 1155 A HA 0.704 5.024 4.320 0.000 0.000 0.252 1155 A C 0.643 178.187 177.584 -0.066 0.000 1.089 1155 A CA -0.270 51.731 52.037 -0.060 0.000 0.797 1155 A CB 0.440 19.419 19.000 -0.035 0.000 1.047 1155 A HN 0.837 nan 8.150 nan 0.000 0.494 1156 A N -0.025 122.771 122.820 -0.039 0.000 2.566 1156 A HA 0.452 4.772 4.320 0.000 0.000 0.245 1156 A C 1.623 179.192 177.584 -0.024 0.000 1.056 1156 A CA 0.960 52.991 52.037 -0.011 0.000 0.757 1156 A CB -1.113 17.913 19.000 0.042 0.000 0.979 1156 A HN 2.752 nan 8.150 nan 0.000 0.508 1157 G N 0.882 109.659 108.800 -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 0.565 175.432 174.900 -0.055 0.000 0.982 1157 G CA 0.572 45.646 45.100 -0.044 0.000 0.632 1157 G HN 2.181 nan 8.290 nan 0.000 0.529 1158 A N -0.481 122.298 122.820 -0.068 0.000 2.264 1158 A HA 0.846 5.166 4.320 0.000 0.000 0.304 1158 A C 0.259 177.787 177.584 -0.092 0.000 1.100 1158 A CA 0.684 52.679 52.037 -0.070 0.000 0.839 1158 A CB 1.052 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 0.543 115.054 114.554 -0.073 0.000 2.812 1159 T HA 0.611 4.961 4.350 0.000 0.000 0.282 1159 T C 0.156 174.822 174.700 -0.058 0.000 0.990 1159 T CA 0.056 62.112 62.100 -0.074 0.000 0.960 1159 T CB 1.496 70.336 68.868 -0.047 0.000 0.948 1159 T HN 1.044 nan 8.240 nan 0.000 0.438 1160 G N 1.906 110.663 108.800 -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 -0.883 174.033 174.900 0.027 0.000 1.143 1160 G CA -0.577 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 0.622 120.854 120.200 0.053 0.000 2.158 1161 E HA 0.480 4.830 4.350 0.000 0.000 0.271 1161 E C -0.913 175.747 176.600 0.100 0.000 0.911 1161 E CA -0.517 55.925 56.400 0.070 0.000 0.767 1161 E CB 2.383 32.113 29.700 0.050 0.000 1.120 1161 E HN 0.133 nan 8.360 nan 0.000 0.405 1162 L N 1.404 122.700 121.223 0.121 0.000 2.341 1162 L HA 0.538 4.878 4.340 0.000 0.000 0.267 1162 L C 0.049 176.984 176.870 0.108 0.000 1.009 1162 L CA -0.469 54.450 54.840 0.133 0.000 0.819 1162 L CB 2.106 44.276 42.059 0.185 0.000 1.323 1162 L HN 0.329 nan 8.230 nan 0.000 0.425 1163 T N 2.237 116.849 114.554 0.097 0.000 2.921 1163 T HA 0.736 5.086 4.350 0.000 0.000 0.297 1163 T C -1.091 173.655 174.700 0.076 0.000 1.013 1163 T CA -0.364 61.784 62.100 0.081 0.000 0.990 1163 T CB 1.640 70.576 68.868 0.113 0.000 1.023 1163 T HN 0.439 nan 8.240 nan 0.000 0.447 1164 M N 3.172 122.785 119.600 0.022 0.000 2.501 1164 M HA 0.684 5.164 4.480 0.000 0.000 0.293 1164 M C -2.375 173.878 176.300 -0.078 0.000 1.192 1164 M CA -0.760 54.530 55.300 -0.017 0.000 0.886 1164 M CB 1.696 34.262 32.600 -0.057 0.000 1.710 1164 M HN 0.619 nan 8.290 nan 0.000 0.457 1165 Y N 2.711 122.980 120.300 -0.053 0.000 2.462 1165 Y HA 0.706 5.256 4.550 0.000 0.000 0.346 1165 Y C -1.531 174.413 175.900 0.074 0.000 0.976 1165 Y CA -0.330 57.852 58.100 0.136 0.000 1.044 1165 Y CB 2.065 40.660 38.460 0.225 0.000 1.230 1165 Y HN 0.623 nan 8.280 nan 0.000 0.455 1166 Y N 1.207 121.802 120.300 0.491 0.000 2.477 1166 Y HA 0.284 4.834 4.550 0.000 0.000 0.347 1166 Y C -1.021 175.097 175.900 0.363 0.000 0.981 1166 Y CA -1.552 56.730 58.100 0.303 0.000 1.033 1166 Y CB 2.039 40.563 38.460 0.108 0.000 1.245 1166 Y HN 0.644 nan 8.280 nan 0.000 0.455 1167 W N 5.006 126.390 121.300 0.140 0.000 2.361 1167 W HA 0.666 5.326 4.660 0.000 0.000 0.314 1167 W C -1.903 174.640 176.519 0.041 0.000 1.041 1167 W CA -1.020 56.398 57.345 0.122 0.000 1.241 1167 W CB 1.452 30.942 29.460 0.051 0.000 1.279 1167 W HN 0.310 nan 8.180 nan 0.000 0.436 1168 V N 9.391 129.019 119.914 -0.478 0.000 2.334 1168 V HA 0.191 4.311 4.120 0.000 0.000 0.267 1168 V C -1.588 174.013 176.094 -0.822 0.000 1.040 1168 V CA -1.525 60.507 62.300 -0.447 0.000 0.866 1168 V CB 0.944 32.635 31.823 -0.221 0.000 1.019 1168 V HN 0.357 nan 8.190 nan 0.000 0.468 1169 P HA 0.393 nan 4.420 nan 0.000 0.286 1169 P C 0.034 177.231 177.300 -0.172 0.000 1.261 1169 P CA -0.312 62.623 63.100 -0.275 0.000 0.821 1169 P CB 2.531 34.392 31.700 0.267 0.000 1.013 1170 L N 1.308 122.472 121.223 -0.099 0.000 2.675 1170 L HA 0.323 4.663 4.340 0.000 0.000 0.178 1170 L C 1.363 178.362 176.870 0.215 0.000 1.135 1170 L CA 0.100 54.900 54.840 -0.067 0.000 0.855 1170 L CB -0.780 41.103 42.059 -0.292 0.000 1.235 1170 L HN 0.325 nan 8.230 nan 0.000 0.499 1171 A N -0.906 122.009 122.820 0.159 0.000 2.445 1171 A HA -0.015 4.305 4.320 0.000 0.000 0.242 1171 A C 0.526 178.263 177.584 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 19.059 19.000 0.126 0.000 1.013 1171 A HN 0.361 nan 8.150 nan 0.000 0.493 1172 Y N 2.256 122.545 120.300 -0.018 0.000 2.181 1172 Y HA -0.025 4.525 4.550 0.000 0.000 0.288 1172 Y C 1.280 177.134 175.900 -0.077 0.000 1.146 1172 Y CA 1.792 59.710 58.100 -0.304 0.000 1.164 1172 Y CB 0.019 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 -2.424 113.254 115.700 -0.037 0.000 2.790 1173 S HA 0.270 4.740 4.470 0.000 0.000 0.292 1173 S C 0.352 174.935 174.600 -0.028 0.000 1.197 1173 S CA -0.621 57.514 58.200 -0.108 0.000 0.851 1173 S CB 1.082 64.203 63.200 -0.130 0.000 1.217 1173 S HN 0.082 nan 8.310 nan 0.000 0.526 1174 E N 1.101 121.255 120.200 -0.076 0.000 2.274 1174 E HA 0.002 4.352 4.350 0.000 0.000 0.194 1174 E C 1.693 178.266 176.600 -0.044 0.000 0.996 1174 E CA 1.820 58.176 56.400 -0.072 0.000 0.840 1174 E CB -0.324 29.305 29.700 -0.118 0.000 0.772 1174 E HN 0.847 nan 8.360 nan 0.000 0.491 1175 T N -2.434 112.105 114.554 -0.024 0.000 2.985 1175 T HA 0.057 4.407 4.350 0.000 0.000 0.254 1175 T C 0.442 175.150 174.700 0.014 0.000 1.021 1175 T CA -0.307 61.786 62.100 -0.011 0.000 0.957 1175 T CB 0.440 69.300 68.868 -0.012 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 0.625 176.963 176.300 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 41.923 40.800 0.173 0.000 1.076 1176 D HN 0.215 nan 8.370 nan 0.000 0.533 1177 L N 2.498 123.730 121.223 0.015 0.000 2.627 1177 L HA 0.086 4.426 4.340 0.000 0.000 0.233 1177 L C 0.773 177.642 176.870 -0.001 0.000 1.144 1177 L CA 0.159 55.009 54.840 0.016 0.000 0.892 1177 L CB -0.344 41.715 42.059 0.001 0.000 1.039 1177 L HN 0.255 nan 8.230 nan 0.000 0.442 1178 T N 0.858 115.378 114.554 -0.058 0.000 2.871 1178 T HA 0.227 4.577 4.350 0.000 0.000 0.296 1178 T C 1.259 175.951 174.700 -0.014 0.000 0.998 1178 T CA 1.056 63.052 62.100 -0.174 0.000 1.162 1178 T CB 0.846 69.397 68.868 -0.527 0.000 0.947 1178 T HN 0.632 nan 8.240 nan 0.000 0.536 1179 G N 2.053 110.874 108.800 0.035 0.000 2.195 1179 G HA2 -0.093 3.867 3.960 0.000 0.000 0.246 1179 G HA3 -0.093 3.867 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 -0.032 45.189 45.100 0.202 0.000 0.633 1179 G HN 1.158 nan 8.290 nan 0.000 0.525 1180 A N -0.470 122.414 122.820 0.106 0.000 2.386 1180 A HA 0.649 4.969 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 0.873 19.895 19.000 0.037 0.000 1.042 1180 A HN 1.195 nan 8.150 nan 0.000 0.497 1181 V N 1.892 121.824 119.914 0.030 0.000 2.448 1181 V HA 0.288 4.408 4.120 0.000 0.000 0.295 1181 V C -0.472 175.653 176.094 0.052 0.000 1.025 1181 V CA -0.509 61.829 62.300 0.063 0.000 0.859 1181 V CB 1.339 33.197 31.823 0.059 0.000 0.988 1181 V HN 0.768 nan 8.190 nan 0.000 0.431 1182 L N 5.182 126.443 121.223 0.064 0.000 2.325 1182 L HA 0.589 4.929 4.340 0.000 0.000 0.284 1182 L C 0.866 177.771 176.870 0.059 0.000 1.089 1182 L CA 0.701 55.570 54.840 0.048 0.000 0.836 1182 L CB 0.993 43.085 42.059 0.055 0.000 1.184 1182 L HN 0.748 nan 8.230 nan 0.000 0.444 1183 A N 2.620 125.464 122.820 0.040 0.000 2.469 1183 A HA 0.246 4.566 4.320 0.000 0.000 0.245 1183 A C 1.547 179.148 177.584 0.028 0.000 1.221 1183 A CA 0.483 52.544 52.037 0.040 0.000 0.946 1183 A CB -0.806 18.215 19.000 0.034 0.000 1.049 1183 A HN 0.766 nan 8.150 nan 0.000 0.529 1184 N N 0.365 119.087 118.700 0.038 0.000 2.459 1184 N HA 0.342 5.082 4.740 0.000 0.000 0.181 1184 N C 1.297 176.855 175.510 0.079 0.000 1.046 1184 N CA 1.072 54.157 53.050 0.058 0.000 0.904 1184 N CB -0.907 37.638 38.487 0.097 0.000 0.964 1184 N HN 0.781 nan 8.380 nan 0.000 0.444 1185 V N 0.314 120.276 119.914 0.080 0.000 4.119 1185 V HA 0.230 4.350 4.120 0.000 0.000 0.286 1185 V C -1.142 174.984 176.094 0.054 0.000 0.996 1185 V CA -0.516 61.829 62.300 0.076 0.000 1.027 1185 V CB -1.132 30.735 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 0.738 178.054 177.300 0.026 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 0.959 120.769 119.800 0.017 0.000 2.369 1187 Q HA -0.041 4.299 4.340 0.000 0.000 0.206 1187 Q C 1.253 177.257 176.000 0.006 0.000 0.963 1187 Q CA 1.306 57.115 55.803 0.011 0.000 0.894 1187 Q CB -0.884 27.858 28.738 0.007 0.000 0.965 1187 Q HN 0.515 nan 8.270 nan 0.000 0.475 1188 S N 1.302 117.006 115.700 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 0.182 58.380 58.200 -0.003 0.000 1.058 1188 S CB 0.006 63.207 63.200 0.002 0.000 0.783 1188 S HN 0.722 nan 8.310 nan 0.000 0.503 1189 K N 4.345 124.733 120.400 -0.021 0.000 2.202 1189 K HA 0.280 4.600 4.320 0.000 0.000 0.264 1189 K C -0.067 176.505 176.600 -0.046 0.000 1.010 1189 K CA -0.605 55.666 56.287 -0.027 0.000 0.940 1189 K CB 0.542 33.019 32.500 -0.038 0.000 0.983 1189 K HN 0.634 nan 8.250 nan 0.000 0.475 1190 Q N 1.088 120.866 119.800 -0.035 0.000 2.212 1190 Q HA 0.325 4.665 4.340 0.000 0.000 0.238 1190 Q C -0.772 175.145 176.000 -0.137 0.000 0.955 1190 Q CA -0.724 55.026 55.803 -0.088 0.000 0.906 1190 Q CB 1.527 30.294 28.738 0.049 0.000 1.215 1190 Q HN 0.461 nan 8.270 nan 0.000 0.478 1191 R N 1.217 121.569 120.500 -0.246 0.000 2.483 1191 R HA 0.379 4.719 4.340 0.000 0.000 0.303 1191 R C -1.627 174.556 176.300 -0.194 0.000 0.987 1191 R CA -0.736 55.258 56.100 -0.176 0.000 0.881 1191 R CB 1.190 31.402 30.300 -0.147 0.000 1.177 1191 R HN 0.330 nan 8.270 nan 0.000 0.451 1192 L N 3.788 124.907 121.223 -0.173 0.000 2.301 1192 L HA 0.391 4.731 4.340 0.000 0.000 0.278 1192 L C -0.866 175.905 176.870 -0.165 0.000 1.022 1192 L CA -0.254 54.470 54.840 -0.194 0.000 0.854 1192 L CB 0.809 42.606 42.059 -0.438 0.000 1.226 1192 L HN 0.398 nan 8.230 nan 0.000 0.429 1193 K N 6.144 126.475 120.400 -0.114 0.000 2.201 1193 K HA 0.599 4.919 4.320 0.000 0.000 0.278 1193 K C -1.221 175.256 176.600 -0.204 0.000 1.027 1193 K CA -0.411 55.806 56.287 -0.117 0.000 0.909 1193 K CB 1.350 33.824 32.500 -0.044 0.000 1.062 1193 K HN 0.541 nan 8.250 nan 0.000 0.465 1194 L N 2.469 123.546 121.223 -0.244 0.000 2.381 1194 L HA 0.359 4.699 4.340 0.000 0.000 0.274 1194 L C -0.434 176.200 176.870 -0.393 0.000 0.988 1194 L CA -0.621 53.955 54.840 -0.439 0.000 0.824 1194 L CB 1.936 43.595 42.059 -0.666 0.000 1.263 1194 L HN 0.649 nan 8.230 nan 0.000 0.410 1195 E N 3.210 123.158 120.200 -0.420 0.000 2.129 1195 E HA 0.449 4.799 4.350 0.000 0.000 0.268 1195 E C -1.300 175.122 176.600 -0.297 0.000 0.900 1195 E CA -0.609 55.650 56.400 -0.236 0.000 0.755 1195 E CB 1.029 30.645 29.700 -0.139 0.000 1.117 1195 E HN 0.299 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 1.074 176.902 175.800 0.046 0.000 1.129 1196 F CA -0.547 57.491 58.000 0.063 0.000 1.109 1196 F CB 0.834 39.965 39.000 0.219 0.000 1.262 1196 F HN 0.507 nan 8.300 nan 0.000 0.534 1197 A N 1.654 124.621 122.820 0.244 0.000 2.448 1197 A HA 0.397 4.717 4.320 0.000 0.000 0.239 1197 A C -0.260 177.382 177.584 0.097 0.000 1.080 1197 A CA -0.168 51.970 52.037 0.169 0.000 0.779 1197 A CB -0.197 18.952 19.000 0.249 0.000 1.026 1197 A HN 0.892 nan 8.150 nan 0.000 0.499 1198 N N -0.699 118.114 118.700 0.187 0.000 3.102 1198 N HA 0.255 4.995 4.740 0.000 0.000 0.299 1198 N C -0.117 175.641 175.510 0.414 0.000 1.482 1198 N CA -0.823 52.365 53.050 0.231 0.000 0.785 1198 N CB 0.351 38.947 38.487 0.182 0.000 1.680 1198 N HN 0.298 nan 8.380 nan 0.000 0.594 1199 N N -0.567 118.400 118.700 0.445 0.000 2.520 1199 N HA -0.037 4.703 4.740 0.000 0.000 0.185 1199 N C -0.028 175.693 175.510 0.352 0.000 1.068 1199 N CA 0.668 54.020 53.050 0.504 0.000 0.911 1199 N CB -0.536 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 0.801 53.951 53.050 0.166 0.000 0.895 1200 N CB 0.389 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 -2.848 111.759 114.554 0.088 0.000 3.000 1201 T HA 0.311 4.661 4.350 0.000 0.000 0.248 1201 T C 1.849 176.514 174.700 -0.058 0.000 1.034 1201 T CA 0.159 62.286 62.100 0.045 0.000 1.060 1201 T CB 0.099 69.013 68.868 0.077 0.000 0.983 1201 T HN 0.039 nan 8.240 nan 0.000 0.482 1202 A N 0.807 123.482 122.820 -0.243 0.000 2.066 1202 A HA 0.410 4.730 4.320 0.000 0.000 0.218 1202 A C 0.288 177.366 177.584 -0.843 0.000 1.157 1202 A CA 0.173 51.831 52.037 -0.632 0.000 0.670 1202 A CB -0.625 17.774 19.000 -1.002 0.000 0.804 1202 A HN 0.600 nan 8.150 nan 0.000 0.453 1203 F N -0.849 119.160 119.950 0.098 0.000 2.477 1203 F HA 0.649 5.176 4.527 0.000 0.000 0.335 1203 F C 0.221 176.055 175.800 0.057 0.000 1.130 1203 F CA -0.811 57.230 58.000 0.069 0.000 0.948 1203 F CB 1.745 40.765 39.000 0.032 0.000 1.154 1203 F HN 0.051 nan 8.300 nan 0.000 0.439 1204 A N 2.208 125.139 122.820 0.186 0.000 2.304 1204 A HA 0.854 5.174 4.320 0.000 0.000 0.323 1204 A C -0.214 177.428 177.584 0.096 0.000 1.195 1204 A CA -0.633 51.470 52.037 0.109 0.000 0.826 1204 A CB 0.679 19.711 19.000 0.054 0.000 1.184 1204 A HN 0.943 nan 8.150 nan 0.000 0.496 1205 A N 1.799 124.664 122.820 0.076 0.000 2.366 1205 A HA 0.525 4.845 4.320 0.000 0.000 0.249 1205 A C 0.431 178.034 177.584 0.032 0.000 1.084 1205 A CA -0.295 51.771 52.037 0.049 0.000 0.794 1205 A CB -0.007 19.020 19.000 0.045 0.000 1.034 1205 A HN 1.215 nan 8.150 nan 0.000 0.491 1206 V N 1.377 121.300 119.914 0.016 0.000 2.694 1206 V HA 0.353 4.473 4.120 0.000 0.000 0.306 1206 V C 1.704 177.805 176.094 0.011 0.000 1.054 1206 V CA 1.857 64.162 62.300 0.009 0.000 1.161 1206 V CB 0.012 31.834 31.823 -0.002 0.000 0.916 1206 V HN 1.982 nan 8.190 nan 0.000 0.490 1207 G N 3.134 111.939 108.800 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 0.384 175.290 174.900 0.010 0.000 0.988 1207 G CA 0.287 45.390 45.100 0.006 0.000 0.625 1207 G HN 1.525 nan 8.290 nan 0.000 0.527 1208 A N -0.231 122.601 122.820 0.019 0.000 2.264 1208 A HA 0.674 4.994 4.320 0.000 0.000 0.304 1208 A C 0.471 178.073 177.584 0.029 0.000 1.100 1208 A CA 0.022 52.075 52.037 0.026 0.000 0.839 1208 A CB 0.451 19.474 19.000 0.037 0.000 1.121 1208 A HN 0.492 nan 8.150 nan 0.000 0.496 1209 N N 1.165 119.887 118.700 0.036 0.000 2.452 1209 N HA 0.137 4.877 4.740 0.000 0.000 0.266 1209 N C -1.773 173.761 175.510 0.040 0.000 1.209 1209 N CA -1.283 51.804 53.050 0.061 0.000 0.929 1209 N CB 1.009 39.535 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 0.472 32.088 31.700 -0.142 0.000 1.231 1211 L N 1.558 122.632 121.223 -0.248 0.000 2.010 1211 L HA -0.188 4.152 4.340 0.000 0.000 0.219 1211 L C 1.737 178.405 176.870 -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 -0.045 0.000 0.892 1211 L HN -0.119 nan 8.230 nan 0.000 0.436 1212 E N -0.005 120.157 120.200 -0.063 0.000 2.474 1212 E HA 0.287 4.637 4.350 0.000 0.000 0.195 1212 E C 0.687 177.308 176.600 0.036 0.000 1.039 1212 E CA 0.574 57.021 56.400 0.078 0.000 0.881 1212 E CB -0.066 29.718 29.700 0.140 0.000 0.970 1212 E HN 0.577 nan 8.360 nan 0.000 0.486 1213 A N 0.748 123.538 122.820 -0.050 0.000 2.271 1213 A HA 0.506 4.826 4.320 0.000 0.000 0.288 1213 A C 1.108 178.646 177.584 -0.077 0.000 1.094 1213 A CA -0.444 51.557 52.037 -0.059 0.000 0.828 1213 A CB 0.530 19.501 19.000 -0.048 0.000 1.091 1213 A HN 0.047 nan 8.150 nan 0.000 0.493 1214 I N -1.575 118.941 120.570 -0.091 0.000 3.039 1214 I HA 0.120 4.290 4.170 0.000 0.000 0.270 1214 I C -0.352 175.579 176.117 -0.310 0.000 1.150 1214 I CA 0.655 61.870 61.300 -0.142 0.000 1.448 1214 I CB -0.011 37.966 38.000 -0.038 0.000 1.197 1214 I HN 0.585 nan 8.210 nan 0.000 0.450 1215 Y N 0.350 120.670 120.300 0.035 0.000 2.499 1215 Y HA 0.563 5.113 4.550 0.000 0.000 0.347 1215 Y C -0.237 175.718 175.900 0.091 0.000 0.987 1215 Y CA -0.736 57.420 58.100 0.092 0.000 1.044 1215 Y CB 1.764 40.331 38.460 0.179 0.000 1.245 1215 Y HN -0.062 nan 8.280 nan 0.000 0.461 1216 Q N 1.300 121.224 119.800 0.206 0.000 2.359 1216 Q HA 0.771 5.111 4.340 0.000 0.000 0.274 1216 Q C -0.981 175.076 176.000 0.094 0.000 1.074 1216 Q CA -0.641 55.234 55.803 0.120 0.000 0.810 1216 Q CB 2.693 31.457 28.738 0.044 0.000 1.342 1216 Q HN 0.969 nan 8.270 nan 0.000 0.427 1217 G N 0.340 109.171 108.800 0.053 0.000 2.336 1217 G HA2 0.352 4.312 3.960 0.000 0.000 0.300 1217 G HA3 0.352 4.312 3.960 0.000 0.000 0.300 1217 G C -0.206 174.668 174.900 -0.044 0.000 1.375 1217 G CA -0.128 44.975 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 2.280 179.672 177.584 -0.319 0.000 1.164 1218 A CA 2.803 54.745 52.037 -0.159 0.000 0.643 1218 A CB -0.493 18.409 19.000 -0.163 0.000 0.806 1218 A HN 2.032 nan 8.150 nan 0.000 0.451 1219 G N -1.699 106.887 108.800 -0.356 0.000 3.189 1219 G HA2 0.349 4.309 3.960 0.000 0.000 0.225 1219 G HA3 0.349 4.309 3.960 0.000 0.000 0.225 1219 G C 1.264 176.070 174.900 -0.156 0.000 1.159 1219 G CA 0.863 45.687 45.100 -0.461 0.000 0.763 1219 G HN 0.626 nan 8.290 nan 0.000 0.549 1220 A N 1.446 124.214 122.820 -0.088 0.000 1.917 1220 A HA 0.104 4.424 4.320 0.000 0.000 0.219 1220 A C 2.771 180.345 177.584 -0.016 0.000 1.182 1220 A CA 2.230 54.256 52.037 -0.017 0.000 0.633 1220 A CB -0.731 18.322 19.000 0.088 0.000 0.819 1220 A HN 0.804 nan 8.150 nan 0.000 0.448 1221 A N -0.644 122.194 122.820 0.030 0.000 2.032 1221 A HA -0.173 4.147 4.320 0.000 0.000 0.221 1221 A C 1.343 178.934 177.584 0.011 0.000 1.165 1221 A CA 1.805 53.872 52.037 0.050 0.000 0.645 1221 A CB -0.356 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 -1.235 119.163 120.400 -0.002 0.000 2.424 1222 D HA 0.199 4.839 4.640 0.000 0.000 0.220 1222 D C -0.363 175.821 176.300 -0.194 0.000 1.150 1222 D CA -0.043 53.926 54.000 -0.052 0.000 0.831 1222 D CB -0.095 40.713 40.800 0.013 0.000 0.981 1222 D HN 0.290 nan 8.370 nan 0.000 0.500 1223 C N 1.541 120.602 119.300 -0.399 0.000 2.398 1223 C HA 0.572 5.032 4.460 0.000 0.000 0.364 1223 C C 0.528 175.007 174.990 -0.851 0.000 1.219 1223 C CA -0.508 58.032 59.018 -0.797 0.000 2.312 1223 C CB 0.875 27.758 27.740 -1.429 0.000 2.428 1223 C HN 0.399 nan 8.230 nan 0.000 0.564 1224 E N 0.610 120.403 120.200 -0.677 0.000 2.407 1224 E HA 0.457 4.807 4.350 0.000 0.000 0.279 1224 E C -1.732 174.820 176.600 -0.080 0.000 1.012 1224 E CA -0.686 55.588 56.400 -0.210 0.000 0.800 1224 E CB 0.624 30.301 29.700 -0.040 0.000 1.276 1224 E HN 0.402 nan 8.360 nan 0.000 0.452 1225 F N 1.462 121.530 119.950 0.197 0.000 2.427 1225 F HA 0.156 4.683 4.527 0.000 0.000 0.352 1225 F C 1.781 177.602 175.800 0.036 0.000 1.100 1225 F CA 0.048 58.131 58.000 0.139 0.000 1.191 1225 F CB 1.441 40.513 39.000 0.121 0.000 1.128 1225 F HN 0.764 nan 8.300 nan 0.000 0.533 1226 E N 2.425 122.735 120.200 0.183 0.000 2.076 1226 E HA -0.046 4.304 4.350 0.000 0.000 0.190 1226 E C -0.242 176.395 176.600 0.061 0.000 0.979 1226 E CA 0.886 57.336 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 -1.009 119.226 120.200 0.059 0.000 2.398 1227 E HA 0.350 4.700 4.350 0.000 0.000 0.280 1227 E C -1.305 175.161 176.600 -0.223 0.000 1.122 1227 E CA -0.688 55.640 56.400 -0.120 0.000 0.873 1227 E CB 0.540 30.160 29.700 -0.132 0.000 1.294 1227 E HN 0.044 nan 8.360 nan 0.000 0.435 1228 I N 0.959 121.161 120.570 -0.613 0.000 2.647 1228 I HA 0.565 4.735 4.170 0.000 0.000 0.295 1228 I C -0.894 174.797 176.117 -0.711 0.000 1.078 1228 I CA -0.946 59.929 61.300 -0.709 0.000 1.048 1228 I CB 2.216 39.531 38.000 -1.143 0.000 1.239 1228 I HN 0.562 nan 8.210 nan 0.000 0.421 1229 S N 4.168 119.647 115.700 -0.369 0.000 2.549 1229 S HA 0.781 5.251 4.470 0.000 0.000 0.280 1229 S C -1.590 172.948 174.600 -0.103 0.000 1.109 1229 S CA -0.435 57.609 58.200 -0.260 0.000 0.905 1229 S CB 1.445 64.532 63.200 -0.188 0.000 1.081 1229 S HN 0.483 nan 8.310 nan 0.000 0.477 1230 Y N -0.177 120.039 120.300 -0.140 0.000 2.562 1230 Y HA 0.829 5.379 4.550 0.000 0.000 0.345 1230 Y C -0.868 175.005 175.900 -0.044 0.000 1.045 1230 Y CA -0.841 57.236 58.100 -0.038 0.000 1.028 1230 Y CB 1.410 39.916 38.460 0.077 0.000 1.297 1230 Y HN 0.436 nan 8.280 nan 0.000 0.463 1231 T N 2.879 117.546 114.554 0.189 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 -0.653 61.470 62.100 0.038 0.000 0.989 1231 T CB 1.526 70.358 68.868 -0.060 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 0.093 0.000 2.398 1232 V HA 0.488 4.608 4.120 0.000 0.000 0.286 1232 V C -1.146 174.981 176.094 0.055 0.000 1.026 1232 V CA -0.767 61.630 62.300 0.161 0.000 0.868 1232 V CB 0.904 32.823 31.823 0.160 0.000 0.982 1232 V HN 0.818 nan 8.190 nan 0.000 0.443 1233 Y N 2.979 123.461 120.300 0.303 0.000 2.352 1233 Y HA 0.500 5.050 4.550 0.000 0.000 0.339 1233 Y C 0.297 176.394 175.900 0.328 0.000 0.992 1233 Y CA -0.330 57.946 58.100 0.292 0.000 1.100 1233 Y CB 1.730 40.359 38.460 0.282 0.000 1.192 1233 Y HN 0.566 nan 8.280 nan 0.000 0.458 1234 Q N 2.164 122.230 119.800 0.445 0.000 2.271 1234 Q HA 0.444 4.784 4.340 0.000 0.000 0.258 1234 Q C -0.889 175.279 176.000 0.279 0.000 0.936 1234 Q CA -0.574 55.408 55.803 0.298 0.000 0.909 1234 Q CB 1.329 30.271 28.738 0.339 0.000 1.253 1234 Q HN 0.653 nan 8.270 nan 0.000 0.440 1235 S N 4.382 120.150 115.700 0.114 0.000 2.433 1235 S HA 0.622 5.092 4.470 0.000 0.000 0.310 1235 S C -1.370 173.311 174.600 0.135 0.000 1.097 1235 S CA -0.377 57.914 58.200 0.153 0.000 1.103 1235 S CB 0.227 63.623 63.200 0.328 0.000 0.992 1235 S HN 0.572 nan 8.310 nan 0.000 0.469 1236 Y N 2.084 122.383 120.300 -0.000 0.000 2.689 1236 Y HA 0.726 5.276 4.550 0.000 0.000 0.333 1236 Y C -1.810 174.087 175.900 -0.004 0.000 1.190 1236 Y CA -1.584 56.503 58.100 -0.022 0.000 1.063 1236 Y CB 0.883 39.329 38.460 -0.023 0.000 1.294 1236 Y HN 0.414 nan 8.280 nan 0.000 0.466 1237 L N 2.403 123.705 121.223 0.132 0.000 2.313 1237 L HA 0.478 4.818 4.340 0.000 0.000 0.283 1237 L C -0.854 176.112 176.870 0.160 0.000 1.013 1237 L CA -0.568 54.294 54.840 0.038 0.000 0.816 1237 L CB 1.435 43.498 42.059 0.008 0.000 1.236 1237 L HN 0.688 nan 8.230 nan 0.000 0.419 1238 D N 1.809 122.282 120.400 0.122 0.000 2.449 1238 D HA 0.237 4.877 4.640 0.000 0.000 0.250 1238 D C -0.342 176.020 176.300 0.103 0.000 1.050 1238 D CA -0.017 54.090 54.000 0.179 0.000 1.024 1238 D CB 1.429 42.371 40.800 0.238 0.000 1.218 1238 D HN 0.362 nan 8.370 nan 0.000 0.566 1239 Q N 0.162 120.016 119.800 0.089 0.000 2.470 1239 Q HA -0.172 4.168 4.340 0.000 0.000 0.294 1239 Q C -0.481 175.536 176.000 0.028 0.000 1.356 1239 Q CA 0.363 56.208 55.803 0.070 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 2.006 123.198 121.223 -0.052 0.000 2.490 1240 L HA 0.120 4.460 4.340 0.000 0.000 0.274 1240 L C -1.055 175.789 176.870 -0.043 0.000 1.201 1240 L CA -1.095 53.653 54.840 -0.153 0.000 0.869 1240 L CB -0.204 41.556 42.059 -0.498 0.000 1.123 1240 L HN 0.010 nan 8.230 nan 0.000 0.484 1241 P HA 0.139 nan 4.420 nan 0.000 0.271 1241 P C -0.825 176.569 177.300 0.158 0.000 1.216 1241 P CA -0.179 62.962 63.100 0.069 0.000 0.771 1241 P CB 1.389 33.114 31.700 0.041 0.000 0.864 1242 V N 2.433 122.452 119.914 0.174 0.000 2.667 1242 V HA 0.759 4.879 4.120 0.000 0.000 0.308 1242 V C 0.901 177.055 176.094 0.101 0.000 1.048 1242 V CA -0.154 62.261 62.300 0.192 0.000 0.928 1242 V CB 1.710 33.629 31.823 0.160 0.000 1.004 1242 V HN 0.902 nan 8.190 nan 0.000 0.444 1243 G N 1.176 110.024 108.800 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 0.546 175.464 174.900 0.029 0.000 1.220 1243 G CA 0.572 45.702 45.100 0.049 0.000 0.875 1243 G HN 0.745 nan 8.290 nan 0.000 0.606 1244 Q N -1.446 118.367 119.800 0.022 0.000 1.921 1244 Q HA -0.169 4.171 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 2.963 58.773 55.803 0.012 0.000 0.857 1244 Q CB -1.988 26.757 28.738 0.011 0.000 0.925 1244 Q HN 1.335 nan 8.270 nan 0.000 0.421 1245 N N -0.093 118.613 118.700 0.010 0.000 2.519 1245 N HA 0.372 5.112 4.740 0.000 0.000 0.186 1245 N C 1.466 176.972 175.510 -0.007 0.000 1.062 1245 N CA 1.780 54.832 53.050 0.003 0.000 0.910 1245 N CB -0.136 38.358 38.487 0.012 0.000 0.958 1245 N HN 1.581 nan 8.380 nan 0.000 0.445 1246 G N -1.873 106.928 108.800 0.001 0.000 2.250 1246 G HA2 0.018 3.978 3.960 0.000 0.000 0.196 1246 G HA3 0.018 3.978 3.960 0.000 0.000 0.196 1246 G C -0.805 174.142 174.900 0.077 0.000 1.308 1246 G CA -0.415 44.668 45.100 -0.029 0.000 1.207 1246 G HN 0.454 nan 8.290 nan 0.000 0.505 1247 Y N 0.914 121.225 120.300 0.018 0.000 2.805 1247 Y HA 0.224 4.774 4.550 0.000 0.000 0.331 1247 Y C 1.340 177.251 175.900 0.018 0.000 1.241 1247 Y CA -0.088 58.025 58.100 0.021 0.000 1.546 1247 Y CB 0.200 38.675 38.460 0.024 0.000 1.248 1247 Y HN 0.239 nan 8.280 nan 0.000 0.559 1248 I N 6.721 127.401 120.570 0.184 0.000 2.308 1248 I HA 0.123 4.293 4.170 0.000 0.000 0.293 1248 I C -0.476 175.676 176.117 0.057 0.000 1.078 1248 I CA 0.263 61.618 61.300 0.092 0.000 1.292 1248 I CB 0.059 38.096 38.000 0.063 0.000 1.423 1248 I HN 0.365 nan 8.210 nan 0.000 0.493 1249 L N 8.623 129.879 121.223 0.054 0.000 2.401 1249 L HA 0.509 4.849 4.340 0.000 0.000 0.266 1249 L C -2.420 174.460 176.870 0.017 0.000 0.991 1249 L CA -1.877 52.980 54.840 0.028 0.000 0.818 1249 L CB 2.529 44.615 42.059 0.045 0.000 1.321 1249 L HN 0.344 nan 8.230 nan 0.000 0.413 1250 P HA 0.165 nan 4.420 nan 0.000 0.273 1250 P C 0.649 177.945 177.300 -0.007 0.000 1.428 1250 P CA -0.231 62.863 63.100 -0.009 0.000 0.995 1250 P CB 0.650 32.338 31.700 -0.020 0.000 1.286 1251 L N 2.680 123.903 121.223 -0.001 0.000 2.131 1251 L HA -0.156 4.184 4.340 0.000 0.000 0.210 1251 L C 2.372 179.235 176.870 -0.012 0.000 1.092 1251 L CA 1.310 56.151 54.840 0.003 0.000 0.759 1251 L CB -0.522 41.542 42.059 0.009 0.000 0.903 1251 L HN 0.278 nan 8.230 nan 0.000 0.435 1252 I N -0.423 120.128 120.570 -0.031 0.000 2.233 1252 I HA -0.232 3.938 4.170 0.000 0.000 0.243 1252 I C 2.109 178.180 176.117 -0.076 0.000 1.093 1252 I CA 1.010 62.278 61.300 -0.055 0.000 1.380 1252 I CB -0.419 37.538 38.000 -0.072 0.000 1.067 1252 I HN 0.201 nan 8.210 nan 0.000 0.413 1253 D N 1.333 121.687 120.400 -0.077 0.000 2.106 1253 D HA -0.175 4.465 4.640 0.000 0.000 0.191 1253 D C 2.194 178.470 176.300 -0.041 0.000 0.997 1253 D CA 1.471 55.419 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 0.405 121.623 121.223 -0.008 0.000 2.465 1254 L HA -0.016 4.324 4.340 0.000 0.000 0.224 1254 L C 1.703 178.596 176.870 0.038 0.000 1.145 1254 L CA 0.737 55.594 54.840 0.028 0.000 0.834 1254 L CB -0.239 41.840 42.059 0.033 0.000 0.944 1254 L HN 0.033 nan 8.230 nan 0.000 0.451 1255 S N -3.019 112.688 115.700 0.011 0.000 2.568 1255 S HA 0.153 4.623 4.470 0.000 0.000 0.232 1255 S C 0.560 175.157 174.600 -0.006 0.000 0.975 1255 S CA -0.538 57.670 58.200 0.014 0.000 0.949 1255 S CB 0.083 63.287 63.200 0.008 0.000 0.829 1255 S HN 0.110 nan 8.310 nan 0.000 0.479 1256 T N 2.750 117.289 114.554 -0.026 0.000 2.855 1256 T HA 0.602 4.952 4.350 0.000 0.000 0.281 1256 T C -0.604 174.091 174.700 -0.009 0.000 1.007 1256 T CA -0.615 61.453 62.100 -0.055 0.000 1.009 1256 T CB 1.403 70.167 68.868 -0.174 0.000 0.983 1256 T HN 0.241 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 -1.026 175.933 176.870 0.147 0.000 1.035 1257 L CA -1.130 53.687 54.840 -0.039 0.000 0.806 1257 L CB 0.871 42.787 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 -0.931 174.923 175.900 -0.077 0.000 0.963 1258 Y CA -1.140 57.061 58.100 0.168 0.000 1.240 1258 Y CB 0.651 39.342 38.460 0.386 0.000 1.118 1258 Y HN 0.531 nan 8.280 nan 0.000 0.484 1259 N N 5.855 124.109 118.700 -0.743 0.000 2.312 1259 N HA 0.572 5.312 4.740 0.000 0.000 0.296 1259 N C -1.520 173.473 175.510 -0.861 0.000 1.193 1259 N CA -0.660 51.893 53.050 -0.828 0.000 0.773 1259 N CB 2.369 40.362 38.487 -0.823 0.000 1.435 1259 N HN 0.567 nan 8.380 nan 0.000 0.484 1260 L N 0.493 121.420 121.223 -0.493 0.000 2.346 1260 L HA 0.584 4.924 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 1.711 43.646 42.059 -0.207 0.000 1.272 1260 L HN 0.379 nan 8.230 nan 0.000 0.421 1261 E N 2.085 122.417 120.200 0.221 0.000 2.390 1261 E HA 0.342 4.692 4.350 0.000 0.000 0.277 1261 E C -1.506 175.193 176.600 0.165 0.000 0.939 1261 E CA -0.819 55.712 56.400 0.218 0.000 0.769 1261 E CB 3.089 33.001 29.700 0.354 0.000 1.251 1261 E HN 0.669 nan 8.360 nan 0.000 0.450 1262 N N -0.003 118.729 118.700 0.054 0.000 2.453 1262 N HA 0.566 5.306 4.740 0.000 0.000 0.290 1262 N C -1.083 174.464 175.510 0.062 0.000 1.250 1262 N CA -0.608 52.402 53.050 -0.066 0.000 0.815 1262 N CB 1.853 40.202 38.487 -0.230 0.000 1.381 1262 N HN 0.472 nan 8.380 nan 0.000 0.510 1263 S N -1.996 113.741 115.700 0.062 0.000 2.615 1263 S HA 0.863 5.333 4.470 0.000 0.000 0.269 1263 S C -1.658 173.008 174.600 0.110 0.000 1.161 1263 S CA -0.897 57.371 58.200 0.113 0.000 0.817 1263 S CB 1.097 64.405 63.200 0.181 0.000 1.131 1263 S HN 1.093 nan 8.310 nan 0.000 0.467 1264 A N 0.863 123.756 122.820 0.121 0.000 2.414 1264 A HA 0.841 5.161 4.320 0.000 0.000 0.306 1264 A C -1.163 176.507 177.584 0.144 0.000 1.054 1264 A CA -0.683 51.437 52.037 0.138 0.000 0.724 1264 A CB 1.612 20.694 19.000 0.136 0.000 1.267 1264 A HN 0.689 nan 8.150 nan 0.000 0.418 1265 Q N 0.093 120.003 119.800 0.183 0.000 2.372 1265 Q HA 0.726 5.066 4.340 0.000 0.000 0.273 1265 Q C -0.700 175.469 176.000 0.281 0.000 1.078 1265 Q CA -0.599 55.359 55.803 0.259 0.000 0.806 1265 Q CB 2.519 31.457 28.738 0.333 0.000 1.332 1265 Q HN 1.086 nan 8.270 nan 0.000 0.435 1266 A N -0.436 122.555 122.820 0.286 0.000 2.486 1266 A HA 0.908 5.228 4.320 0.000 0.000 0.289 1266 A C 0.209 177.909 177.584 0.194 0.000 1.176 1266 A CA -0.137 51.969 52.037 0.115 0.000 0.757 1266 A CB 1.611 20.650 19.000 0.064 0.000 1.337 1266 A HN 1.004 nan 8.150 nan 0.000 0.423 1267 G N -0.918 107.881 108.800 -0.002 0.000 2.155 1267 G HA2 0.014 3.974 3.960 0.000 0.000 0.135 1267 G HA3 0.014 3.974 3.960 0.000 0.000 0.135 1267 G C -0.399 174.484 174.900 -0.028 0.000 1.023 1267 G CA -0.078 45.080 45.100 0.096 0.000 0.688 1267 G HN 0.780 nan 8.290 nan 0.000 0.499 1268 L N 1.378 122.360 121.223 -0.403 0.000 2.397 1268 L HA 0.684 5.024 4.340 0.000 0.000 0.271 1268 L C 0.584 177.357 176.870 -0.163 0.000 1.148 1268 L CA 0.290 54.856 54.840 -0.456 0.000 0.825 1268 L CB 1.449 43.113 42.059 -0.658 0.000 1.117 1268 L HN 0.162 nan 8.230 nan 0.000 0.456 1269 T N 2.399 116.894 114.554 -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 70.780 68.868 -0.014 0.000 1.045 1269 T HN 0.214 nan 8.240 nan 0.000 0.454 1270 P HA 0.055 nan 4.420 nan 0.000 0.261 1270 P C 0.363 177.634 177.300 -0.047 0.000 1.173 1270 P CA 0.437 63.511 63.100 -0.044 0.000 0.760 1270 P CB 0.147 31.831 31.700 -0.026 0.000 0.783 1271 N N -0.905 117.753 118.700 -0.069 0.000 2.753 1271 N HA -0.144 4.596 4.740 0.000 0.000 0.251 1271 N C -0.607 174.868 175.510 -0.058 0.000 1.097 1271 N CA 0.755 53.766 53.050 -0.066 0.000 0.786 1271 N CB -1.650 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 0.918 120.793 119.914 -0.065 0.000 2.555 1272 V HA 0.234 4.354 4.120 0.000 0.000 0.302 1272 V C 0.093 176.158 176.094 -0.048 0.000 1.038 1272 V CA -0.846 61.434 62.300 -0.033 0.000 0.887 1272 V CB 2.162 33.983 31.823 -0.003 0.000 0.991 1272 V HN -0.054 nan 8.190 nan 0.000 0.434 1273 D N 3.304 123.687 120.400 -0.029 0.000 2.434 1273 D HA 0.128 4.768 4.640 0.000 0.000 0.252 1273 D C -0.573 175.742 176.300 0.026 0.000 1.185 1273 D CA 0.493 54.472 54.000 -0.035 0.000 0.886 1273 D CB 0.422 41.224 40.800 0.004 0.000 1.148 1273 D HN 0.342 nan 8.370 nan 0.000 0.483 1274 F N 3.596 123.452 119.950 -0.157 0.000 2.385 1274 F HA 0.327 4.854 4.527 0.000 0.000 0.360 1274 F C -0.724 175.018 175.800 -0.096 0.000 1.122 1274 F CA -0.804 57.121 58.000 -0.125 0.000 1.090 1274 F CB 0.811 39.709 39.000 -0.171 0.000 1.150 1274 F HN -0.000 nan 8.300 nan 0.000 0.472 1275 V N 6.967 126.610 119.914 -0.451 0.000 2.384 1275 V HA 0.395 4.515 4.120 0.000 0.000 0.287 1275 V C -0.571 175.270 176.094 -0.422 0.000 1.020 1275 V CA -0.893 61.216 62.300 -0.319 0.000 0.850 1275 V CB 1.421 33.134 31.823 -0.183 0.000 0.987 1275 V HN 0.493 nan 8.190 nan 0.000 0.436 1276 V N 5.469 125.232 119.914 -0.251 0.000 2.328 1276 V HA 0.317 4.437 4.120 0.000 0.000 0.278 1276 V C 0.228 176.186 176.094 -0.227 0.000 1.021 1276 V CA -0.590 61.574 62.300 -0.226 0.000 0.838 1276 V CB 1.080 32.835 31.823 -0.112 0.000 0.999 1276 V HN 0.925 nan 8.190 nan 0.000 0.447 1277 Q N 3.217 122.895 119.800 -0.205 0.000 2.352 1277 Q HA 0.344 4.684 4.340 0.000 0.000 0.260 1277 Q C -1.143 174.610 176.000 -0.413 0.000 0.976 1277 Q CA -0.024 55.647 55.803 -0.222 0.000 0.881 1277 Q CB 0.981 29.646 28.738 -0.122 0.000 1.235 1277 Q HN 0.655 nan 8.270 nan 0.000 0.419 1278 Y N 0.206 120.250 120.300 -0.425 0.000 2.320 1278 Y HA 0.403 4.953 4.550 0.000 0.000 0.324 1278 Y C 0.480 175.937 175.900 -0.739 0.000 1.190 1278 Y CA -0.565 57.152 58.100 -0.639 0.000 1.215 1278 Y CB 1.080 39.127 38.460 -0.689 0.000 1.221 1278 Y HN 0.669 nan 8.280 nan 0.000 0.486 1279 A N 2.411 124.959 122.820 -0.453 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 0.058 18.820 19.000 -0.397 0.000 1.088 1279 A HN 0.876 nan 8.150 nan 0.000 0.495 1280 N N -1.419 117.113 118.700 -0.279 0.000 2.447 1280 N HA 0.479 5.219 4.740 0.000 0.000 0.271 1280 N C 0.203 175.608 175.510 -0.176 0.000 1.226 1280 N CA -0.022 52.915 53.050 -0.190 0.000 0.980 1280 N CB 1.035 39.442 38.487 -0.133 0.000 1.206 1280 N HN 1.418 nan 8.380 nan 0.000 0.558 1281 L N -3.363 117.806 121.223 -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 1.596 56.542 54.840 0.176 0.000 3.096 1281 L CB -1.768 40.336 42.059 0.075 0.000 0.683 1281 L HN 0.745 nan 8.230 nan 0.000 0.743 1282 Y N 1.909 122.221 120.300 0.021 0.000 2.309 1282 Y HA 0.481 5.031 4.550 0.000 0.000 0.327 1282 Y C 0.804 176.710 175.900 0.011 0.000 1.172 1282 Y CA -0.921 57.054 58.100 -0.209 0.000 1.280 1282 Y CB 0.502 38.362 38.460 -1.001 0.000 1.234 1282 Y HN 0.069 nan 8.280 nan 0.000 0.512 1283 R N 3.860 124.456 120.500 0.160 0.000 2.280 1283 R HA 0.201 4.541 4.340 0.000 0.000 0.326 1283 R C -1.696 174.667 176.300 0.104 0.000 1.080 1283 R CA -0.644 55.548 56.100 0.155 0.000 1.002 1283 R CB 0.275 30.602 30.300 0.045 0.000 1.136 1283 R HN 0.578 nan 8.270 nan 0.000 0.509 1284 Y N 2.964 123.367 120.300 0.173 0.000 2.531 1284 Y HA 0.033 4.583 4.550 0.000 0.000 0.347 1284 Y C 1.562 177.522 175.900 0.100 0.000 1.024 1284 Y CA -0.189 58.027 58.100 0.193 0.000 1.306 1284 Y CB 0.606 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 1.910 123.252 121.223 0.198 0.000 2.162 1285 L HA 0.027 4.367 4.340 0.000 0.000 0.205 1285 L C 0.770 177.750 176.870 0.183 0.000 1.086 1285 L CA 0.629 55.528 54.840 0.099 0.000 0.778 1285 L CB -0.129 41.910 42.059 -0.034 0.000 0.928 1285 L HN 0.624 nan 8.230 nan 0.000 0.446 1286 S N -1.969 113.900 115.700 0.283 0.000 2.570 1286 S HA 0.601 5.071 4.470 0.000 0.000 0.270 1286 S C -0.614 174.173 174.600 0.311 0.000 1.149 1286 S CA -0.685 57.653 58.200 0.230 0.000 0.837 1286 S CB 2.380 65.767 63.200 0.312 0.000 1.124 1286 S HN -0.071 nan 8.310 nan 0.000 0.465 1287 T N 1.978 116.626 114.554 0.157 0.000 2.886 1287 T HA 0.612 4.962 4.350 0.000 0.000 0.292 1287 T C -0.932 173.738 174.700 -0.050 0.000 1.012 1287 T CA -0.421 61.719 62.100 0.067 0.000 0.982 1287 T CB 0.883 69.830 68.868 0.131 0.000 1.018 1287 T HN 0.660 nan 8.240 nan 0.000 0.451 1288 I N 2.274 122.746 120.570 -0.164 0.000 2.465 1288 I HA 0.710 4.880 4.170 0.000 0.000 0.291 1288 I C -0.378 175.596 176.117 -0.238 0.000 1.014 1288 I CA -0.979 60.279 61.300 -0.069 0.000 1.093 1288 I CB 1.751 39.814 38.000 0.105 0.000 1.267 1288 I HN 0.727 nan 8.210 nan 0.000 0.431 1289 A N 6.368 129.110 122.820 -0.130 0.000 2.335 1289 A HA 0.745 5.065 4.320 0.000 0.000 0.304 1289 A C -1.098 176.590 177.584 0.174 0.000 1.118 1289 A CA -0.472 51.506 52.037 -0.099 0.000 0.757 1289 A CB 1.377 20.207 19.000 -0.283 0.000 1.188 1289 A HN 0.394 nan 8.150 nan 0.000 0.460 1290 V N 3.310 123.355 119.914 0.217 0.000 2.370 1290 V HA 0.317 4.437 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 1.207 33.169 31.823 0.232 0.000 0.985 1290 V HN 0.778 nan 8.190 nan 0.000 0.443 1291 F N 5.321 125.389 119.950 0.196 0.000 2.406 1291 F HA 0.368 4.895 4.527 0.000 0.000 0.358 1291 F C 0.441 176.144 175.800 -0.161 0.000 1.161 1291 F CA -1.852 56.176 58.000 0.046 0.000 1.185 1291 F CB 0.179 39.224 39.000 0.076 0.000 1.421 1291 F HN 0.607 nan 8.300 nan 0.000 0.576 1292 D N 4.137 124.537 120.400 -0.001 0.000 2.435 1292 D HA -0.027 4.613 4.640 0.000 0.000 0.230 1292 D C -0.067 175.908 176.300 -0.542 0.000 1.215 1292 D CA 0.089 53.773 54.000 -0.526 0.000 0.947 1292 D CB -0.318 40.422 40.800 -0.100 0.000 1.048 1292 D HN 0.256 nan 8.370 nan 0.000 0.512 1293 N N 2.859 120.984 118.700 -0.958 0.000 3.178 1293 N HA 0.198 4.938 4.740 0.000 0.000 0.300 1293 N C 0.741 175.956 175.510 -0.492 0.000 1.242 1293 N CA 0.455 52.996 53.050 -0.848 0.000 1.192 1293 N CB -0.464 37.327 38.487 -1.160 0.000 1.463 1293 N HN 0.616 nan 8.380 nan 0.000 0.539 1294 G N 0.790 109.398 108.800 -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 0.965 175.740 174.900 -0.208 0.000 1.055 1294 G CA 0.513 45.491 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 -0.278 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 0.682 45.688 45.100 -0.157 0.000 0.633 1295 G HN 1.750 nan 8.290 nan 0.000 0.525 1296 S N 0.111 115.559 115.700 -0.420 0.000 2.489 1296 S HA 0.770 5.240 4.470 0.000 0.000 0.291 1296 S C -0.821 173.387 174.600 -0.653 0.000 1.151 1296 S CA -0.335 57.666 58.200 -0.331 0.000 1.082 1296 S CB 0.929 63.969 63.200 -0.267 0.000 1.019 1296 S HN 0.306 nan 8.310 nan 0.000 0.492 1297 F N 2.914 122.762 119.950 -0.170 0.000 2.445 1297 F HA 0.441 4.968 4.527 0.000 0.000 0.348 1297 F C 0.468 176.208 175.800 -0.100 0.000 1.125 1297 F CA -0.853 57.055 58.000 -0.153 0.000 0.983 1297 F CB 1.172 40.084 39.000 -0.147 0.000 1.198 1297 F HN 0.390 nan 8.300 nan 0.000 0.436 1298 N N 1.420 120.120 118.700 -0.001 0.000 2.430 1298 N HA 0.513 5.253 4.740 0.000 0.000 0.298 1298 N C -0.484 175.094 175.510 0.114 0.000 1.130 1298 N CA -0.706 52.365 53.050 0.034 0.000 0.894 1298 N CB 2.196 40.668 38.487 -0.025 0.000 1.209 1298 N HN 0.563 nan 8.380 nan 0.000 0.503 1299 A N 0.521 123.404 122.820 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 0.281 52.398 52.037 0.134 0.000 1.413 1299 A CB -1.396 17.662 19.000 0.096 0.000 1.112 1299 A HN 0.906 nan 8.150 nan 0.000 0.606 1300 G N 1.114 110.086 108.800 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 1.279 176.266 174.900 0.145 0.000 0.984 1300 G CA 1.605 46.866 45.100 0.269 0.000 0.626 1300 G HN 1.496 nan 8.290 nan 0.000 0.540 1301 T N -0.737 113.883 114.554 0.110 0.000 3.007 1301 T HA 0.059 4.409 4.350 0.000 0.000 0.270 1301 T C 1.507 176.237 174.700 0.051 0.000 1.107 1301 T CA 1.797 63.937 62.100 0.067 0.000 1.118 1301 T CB -0.197 68.699 68.868 0.046 0.000 0.889 1301 T HN 0.605 nan 8.240 nan 0.000 0.506 1302 D N 0.410 120.852 120.400 0.070 0.000 2.368 1302 D HA 0.228 4.868 4.640 0.000 0.000 0.218 1302 D C 0.217 176.601 176.300 0.139 0.000 1.112 1302 D CA -0.468 53.581 54.000 0.081 0.000 0.834 1302 D CB -0.273 40.537 40.800 0.016 0.000 0.953 1302 D HN 0.471 nan 8.370 nan 0.000 0.505 1303 I N 0.427 121.035 120.570 0.064 0.000 2.545 1303 I HA 0.222 4.392 4.170 0.000 0.000 0.292 1303 I C 0.642 176.709 176.117 -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 -0.270 nan 8.210 nan 0.000 0.424 1304 N N 3.687 122.290 118.700 -0.163 0.000 2.197 1304 N HA 0.013 4.753 4.740 0.000 0.000 0.184 1304 N C -0.593 174.921 175.510 0.006 0.000 1.030 1304 N CA 1.371 54.368 53.050 -0.087 0.000 0.851 1304 N CB 0.287 38.679 38.487 -0.157 0.000 1.003 1304 N HN 0.632 nan 8.380 nan 0.000 0.430 1305 Y N -1.933 118.285 120.300 -0.137 0.000 2.713 1305 Y HA 0.631 5.181 4.550 0.000 0.000 0.335 1305 Y C -1.781 173.936 175.900 -0.305 0.000 1.222 1305 Y CA -1.429 56.572 58.100 -0.166 0.000 1.061 1305 Y CB 0.476 38.881 38.460 -0.091 0.000 1.314 1305 Y HN -0.276 nan 8.280 nan 0.000 0.453 1306 L N 1.690 122.828 121.223 -0.141 0.000 2.333 1306 L HA 0.929 5.269 4.340 0.000 0.000 0.263 1306 L C -0.095 176.633 176.870 -0.237 0.000 1.014 1306 L CA -0.543 53.969 54.840 -0.547 0.000 0.820 1306 L CB 2.205 43.428 42.059 -1.394 0.000 1.352 1306 L HN 0.902 nan 8.230 nan 0.000 0.421 1307 S N -0.177 115.298 115.700 -0.375 0.000 2.636 1307 S HA 0.575 5.045 4.470 0.000 0.000 0.266 1307 S C -2.101 172.391 174.600 -0.180 0.000 1.147 1307 S CA -0.629 57.548 58.200 -0.037 0.000 0.815 1307 S CB 1.538 64.751 63.200 0.021 0.000 1.119 1307 S HN 0.577 nan 8.310 nan 0.000 0.470 1308 Q N 1.127 120.935 119.800 0.013 0.000 2.321 1308 Q HA 0.541 4.881 4.340 0.000 0.000 0.270 1308 Q C -1.017 175.003 176.000 0.034 0.000 1.032 1308 Q CA -0.595 55.240 55.803 0.053 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 1.018 121.539 120.500 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 -0.339 55.770 56.100 0.014 0.000 0.897 1309 R CB 1.737 32.038 30.300 0.001 0.000 1.192 1309 R HN 0.698 nan 8.270 nan 0.000 0.457 1310 T N 0.756 115.310 114.554 0.000 0.000 2.794 1310 T HA 0.595 4.945 4.350 0.000 0.000 0.280 1310 T C 0.243 174.937 174.700 -0.009 0.000 0.987 1310 T CA -0.753 61.343 62.100 -0.007 0.000 0.993 1310 T CB 1.672 70.532 68.868 -0.014 0.000 0.939 1310 T HN 0.695 nan 8.240 nan 0.000 0.449 1311 A N 2.505 125.319 122.820 -0.010 0.000 2.566 1311 A HA 0.456 4.776 4.320 0.000 0.000 0.245 1311 A C 1.462 179.039 177.584 -0.011 0.000 1.056 1311 A CA 0.564 52.594 52.037 -0.010 0.000 0.757 1311 A CB -1.950 17.043 19.000 -0.010 0.000 0.979 1311 A HN 2.486 nan 8.150 nan 0.000 0.508 1312 N N -1.031 117.663 118.700 -0.010 0.000 2.756 1312 N HA 0.237 4.977 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 2.085 55.129 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 2.498 nan 8.380 nan 0.000 0.548 1313 F N -1.947 117.997 119.950 -0.011 0.000 3.281 1313 F HA 0.753 5.280 4.527 0.000 0.000 0.339 1313 F C 1.330 177.122 175.800 -0.014 0.000 1.275 1313 F CA 1.314 59.307 58.000 -0.012 0.000 0.843 1313 F CB -0.834 38.159 39.000 -0.011 0.000 1.717 1313 F HN 1.988 nan 8.300 nan 0.000 0.480 1314 S N 0.176 115.867 115.700 -0.015 0.000 3.160 1314 S HA -0.201 4.269 4.470 0.000 0.000 0.634 1314 S C -0.365 174.224 174.600 -0.018 0.000 2.861 1314 S CA 1.519 59.708 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 1.122 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 1.213 177.504 176.300 -0.016 0.000 1.094 1315 D CA 0.405 54.393 54.000 -0.021 0.000 0.897 1315 D CB 1.052 41.828 40.800 -0.040 0.000 1.200 1315 D HN 0.638 nan 8.370 nan 0.000 0.429 1316 T N -1.208 113.344 114.554 -0.003 0.000 3.044 1316 T HA 0.045 4.395 4.350 0.000 0.000 0.250 1316 T C 0.690 175.389 174.700 -0.001 0.000 1.081 1316 T CA -0.365 61.732 62.100 -0.005 0.000 1.040 1316 T CB -0.059 68.807 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 0.304 4.644 4.340 0.000 0.000 0.200 1317 R C -0.949 175.421 176.300 0.117 0.000 1.438 1317 R CA -0.653 55.471 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 3.012 123.435 120.400 0.039 0.000 2.310 1318 K HA 0.323 4.643 4.320 0.000 0.000 0.290 1318 K C -0.967 175.654 176.600 0.034 0.000 1.077 1318 K CA -0.177 56.108 56.287 -0.004 0.000 0.922 1318 K CB 0.521 32.907 32.500 -0.190 0.000 1.057 1318 K HN 0.453 nan 8.250 nan 0.000 0.479 1319 L N 3.326 124.657 121.223 0.180 0.000 2.388 1319 L HA 0.340 4.680 4.340 0.000 0.000 0.264 1319 L C -0.425 176.578 176.870 0.221 0.000 0.998 1319 L CA -1.368 53.597 54.840 0.209 0.000 0.817 1319 L CB 2.049 44.306 42.059 0.329 0.000 1.338 1319 L HN 0.745 nan 8.230 nan 0.000 0.414 1320 D N 0.524 121.027 120.400 0.171 0.000 2.368 1320 D HA 0.136 4.776 4.640 0.000 0.000 0.240 1320 D C -2.110 174.302 176.300 0.188 0.000 1.169 1320 D CA -1.151 52.944 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 0.195 nan 8.370 nan 0.000 0.435 1321 P HA -0.200 nan 4.420 nan 0.000 0.216 1321 P C 1.003 178.474 177.300 0.286 0.000 1.153 1321 P CA 1.535 64.739 63.100 0.173 0.000 0.858 1321 P CB 0.109 31.880 31.700 0.118 0.000 0.789 1322 K N -1.198 119.330 120.400 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 1.605 58.012 56.287 0.200 0.000 0.938 1322 K CB -0.705 31.878 32.500 0.138 0.000 0.718 1322 K HN 0.157 nan 8.250 nan 0.000 0.442 1323 T N 0.517 115.190 114.554 0.199 0.000 2.904 1323 T HA -0.149 4.201 4.350 0.000 0.000 0.267 1323 T C 1.178 176.012 174.700 0.222 0.000 1.059 1323 T CA 0.647 62.849 62.100 0.171 0.000 1.137 1323 T CB -0.132 68.817 68.868 0.135 0.000 0.879 1323 T HN 0.430 nan 8.240 nan 0.000 0.467 1324 W N 2.149 123.520 121.300 0.117 0.000 2.381 1324 W HA -0.061 4.599 4.660 0.000 0.000 0.301 1324 W C 2.445 179.083 176.519 0.198 0.000 1.205 1324 W CA 1.214 58.649 57.345 0.150 0.000 1.285 1324 W CB -0.562 28.994 29.460 0.161 0.000 1.133 1324 W HN 0.288 nan 8.180 nan 0.000 0.521 1325 A N 0.886 124.000 122.820 0.490 0.000 1.972 1325 A HA -0.059 4.261 4.320 0.000 0.000 0.219 1325 A C 2.178 179.882 177.584 0.201 0.000 1.169 1325 A CA 2.471 54.730 52.037 0.369 0.000 0.635 1325 A CB -1.195 17.996 19.000 0.319 0.000 0.810 1325 A HN 0.287 nan 8.150 nan 0.000 0.446 1326 A N -0.735 122.176 122.820 0.152 0.000 1.902 1326 A HA -0.195 4.125 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 1.693 53.782 52.037 0.088 0.000 0.623 1326 A CB -0.464 18.581 19.000 0.073 0.000 0.818 1326 A HN 0.510 nan 8.150 nan 0.000 0.443 1327 Q N -0.439 119.369 119.800 0.014 0.000 2.124 1327 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 1327 Q C 2.116 178.133 176.000 0.027 0.000 0.977 1327 Q CA 2.015 57.796 55.803 -0.036 0.000 0.850 1327 Q CB -1.329 27.302 28.738 -0.178 0.000 0.901 1327 Q HN 0.637 nan 8.270 nan 0.000 0.429 1328 T N 1.248 115.856 114.554 0.090 0.000 2.821 1328 T HA -0.074 4.276 4.350 0.000 0.000 0.267 1328 T C 1.819 176.583 174.700 0.105 0.000 1.046 1328 T CA 0.826 63.052 62.100 0.210 0.000 1.139 1328 T CB -0.063 69.025 68.868 0.368 0.000 0.871 1328 T HN 0.268 nan 8.240 nan 0.000 0.454 1329 R N 0.724 121.265 120.500 0.069 0.000 2.159 1329 R HA 0.016 4.356 4.340 0.000 0.000 0.237 1329 R C 2.446 178.749 176.300 0.006 0.000 1.131 1329 R CA 0.794 56.905 56.100 0.018 0.000 0.982 1329 R CB -0.083 30.232 30.300 0.026 0.000 0.868 1329 R HN 0.242 nan 8.270 nan 0.000 0.453 1330 R N 0.152 120.666 120.500 0.024 0.000 2.235 1330 R HA 0.016 4.356 4.340 0.000 0.000 0.213 1330 R C 1.849 178.163 176.300 0.023 0.000 1.059 1330 R CA 0.695 56.805 56.100 0.017 0.000 0.997 1330 R CB 0.031 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 0.452 120.979 120.500 0.045 0.000 2.146 1331 R HA 0.152 4.492 4.340 0.000 0.000 0.206 1331 R C 2.029 178.313 176.300 -0.028 0.000 1.049 1331 R CA 0.772 56.906 56.100 0.056 0.000 1.029 1331 R CB 0.031 30.444 30.300 0.189 0.000 0.949 1331 R HN 0.314 nan 8.270 nan 0.000 0.471 1332 I N -3.944 116.569 120.570 -0.095 0.000 4.050 1332 I HA 0.479 4.649 4.170 0.000 0.000 0.327 1332 I C 0.485 176.507 176.117 -0.158 0.000 1.473 1332 I CA 0.098 61.287 61.300 -0.185 0.000 1.124 1332 I CB 0.892 38.648 38.000 -0.407 0.000 1.129 1332 I HN -0.036 nan 8.210 nan 0.000 0.428 1333 A N 0.251 123.012 122.820 -0.098 0.000 2.861 1333 A HA -0.216 4.104 4.320 0.000 0.000 0.261 1333 A C 0.645 178.179 177.584 -0.083 0.000 1.351 1333 A CA 1.688 53.679 52.037 -0.076 0.000 0.904 1333 A CB -2.303 16.655 19.000 -0.070 0.000 1.076 1333 A HN 0.815 nan 8.150 nan 0.000 0.729 1334 T N -1.869 112.616 114.554 -0.114 0.000 2.654 1334 T HA 0.494 4.844 4.350 0.000 0.000 0.303 1334 T C -2.146 172.475 174.700 -0.133 0.000 1.656 1334 T CA 0.134 62.171 62.100 -0.106 0.000 0.971 1334 T CB 0.929 69.726 68.868 -0.119 0.000 1.811 1334 T HN 0.283 nan 8.240 nan 0.000 0.483 1335 D N 0.611 120.952 120.400 -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 -0.140 0.000 1.020 1335 D CA -0.113 53.852 54.000 -0.058 0.000 0.891 1335 D CB 0.816 41.630 40.800 0.023 0.000 1.187 1335 D HN 0.330 nan 8.370 nan 0.000 0.443 1336 F N 0.641 120.524 119.950 -0.113 0.000 2.399 1336 F HA 0.218 4.745 4.527 0.000 0.000 0.313 1336 F C -1.330 174.362 175.800 -0.180 0.000 1.202 1336 F CA -1.253 56.603 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 -1.197 176.128 177.300 0.042 0.000 1.227 1337 P CA -0.270 62.886 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 1.097 121.531 120.400 0.058 0.000 2.530 1338 K HA 0.143 4.463 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 1.236 57.558 56.287 0.059 0.000 1.071 1338 K CB -0.732 31.824 32.500 0.093 0.000 0.876 1338 K HN 0.857 nan 8.250 nan 0.000 0.487 1339 G N 1.176 109.981 108.800 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 0.019 174.864 174.900 -0.092 0.000 0.977 1339 G CA 0.043 45.212 45.100 0.115 0.000 0.641 1339 G HN 0.428 nan 8.290 nan 0.000 0.533 1340 V N 1.030 120.722 119.914 -0.370 0.000 2.370 1340 V HA 0.645 4.765 4.120 0.000 0.000 0.279 1340 V C -0.300 175.422 176.094 -0.621 0.000 1.029 1340 V CA -0.766 61.320 62.300 -0.357 0.000 0.870 1340 V CB 0.822 32.415 31.823 -0.384 0.000 0.984 1340 V HN 0.252 nan 8.190 nan 0.000 0.451 1341 Y N 4.258 124.602 120.300 0.073 0.000 2.376 1341 Y HA 0.603 5.153 4.550 0.000 0.000 0.340 1341 Y C -0.487 175.598 175.900 0.309 0.000 0.965 1341 Y CA -0.773 57.473 58.100 0.244 0.000 1.078 1341 Y CB 1.748 40.294 38.460 0.144 0.000 1.193 1341 Y HN 0.639 nan 8.280 nan 0.000 0.452 1342 Y N 2.444 123.034 120.300 0.484 0.000 2.468 1342 Y HA 0.681 5.231 4.550 0.000 0.000 0.342 1342 Y C -1.127 175.058 175.900 0.474 0.000 1.021 1342 Y CA -1.793 56.492 58.100 0.309 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 6.559 125.574 119.300 -0.474 0.000 2.505 1343 C HA 0.365 4.825 4.460 0.000 0.000 0.342 1343 C C -1.389 173.189 174.990 -0.686 0.000 1.121 1343 C CA -0.701 58.096 59.018 -0.367 0.000 1.306 1343 C CB -0.028 27.885 27.740 0.288 0.000 1.897 1343 C HN 0.887 nan 8.230 nan 0.000 0.446 1344 D N 3.977 124.060 120.400 -0.527 0.000 2.274 1344 D HA 0.322 4.962 4.640 0.000 0.000 0.239 1344 D C 0.037 176.295 176.300 -0.071 0.000 1.104 1344 D CA 0.239 54.106 54.000 -0.221 0.000 0.840 1344 D CB 0.790 41.599 40.800 0.016 0.000 1.100 1344 D HN 0.708 nan 8.370 nan 0.000 0.477 1345 N N 3.442 122.142 118.700 -0.000 0.000 2.451 1345 N HA 0.101 4.841 4.740 0.000 0.000 0.271 1345 N C 1.085 176.617 175.510 0.037 0.000 1.410 1345 N CA -0.160 52.902 53.050 0.019 0.000 0.884 1345 N CB 0.709 39.215 38.487 0.032 0.000 1.332 1345 N HN 0.358 nan 8.380 nan 0.000 0.498 1346 R N 0.478 121.009 120.500 0.053 0.000 2.081 1346 R HA -0.043 4.297 4.340 0.000 0.000 0.235 1346 R C 0.773 177.086 176.300 0.021 0.000 1.131 1346 R CA 1.147 57.276 56.100 0.048 0.000 0.960 1346 R CB 0.099 30.464 30.300 0.108 0.000 0.856 1346 R HN 0.117 nan 8.270 nan 0.000 0.436 1347 D N 0.385 120.801 120.400 0.027 0.000 2.224 1347 D HA -0.041 4.599 4.640 0.000 0.000 0.205 1347 D C 0.182 176.489 176.300 0.010 0.000 0.965 1347 D CA 1.251 55.261 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 0.821 121.229 120.400 0.012 0.000 2.752 1348 K HA 0.287 4.607 4.320 0.000 0.000 0.199 1348 K C -2.755 173.859 176.600 0.022 0.000 1.069 1348 K CA -1.425 54.870 56.287 0.015 0.000 1.033 1348 K CB 2.480 34.986 32.500 0.011 0.000 1.229 1348 K HN -0.127 nan 8.250 nan 0.000 0.572 1349 P HA -0.028 nan 4.420 nan 0.000 0.266 1349 P C -0.095 177.256 177.300 0.085 0.000 1.195 1349 P CA -0.195 62.940 63.100 0.058 0.000 0.768 1349 P CB 0.461 32.191 31.700 0.049 0.000 0.838 1350 I N 3.744 124.354 120.570 0.067 0.000 2.587 1350 I HA -0.019 4.151 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 0.415 61.702 61.300 -0.021 0.000 1.410 1350 I CB -1.162 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 0.158 4.708 4.550 0.000 0.000 0.329 1351 Y C 1.097 177.002 175.900 0.009 0.000 1.101 1351 Y CA -0.872 57.257 58.100 0.048 0.000 1.228 1351 Y CB 1.343 39.833 38.460 0.051 0.000 1.123 1351 Y HN 0.725 nan 8.280 nan 0.000 0.457 1352 T N 1.361 115.786 114.554 -0.216 0.000 2.770 1352 T HA 0.063 4.413 4.350 0.000 0.000 0.263 1352 T C 1.944 176.456 174.700 -0.313 0.000 1.039 1352 T CA 2.367 64.332 62.100 -0.225 0.000 1.142 1352 T CB -0.624 68.140 68.868 -0.174 0.000 0.868 1352 T HN 1.590 nan 8.240 nan 0.000 0.435 1353 L N -2.137 118.799 121.223 -0.479 0.000 3.211 1353 L HA 0.126 4.466 4.340 0.000 0.000 0.417 1353 L C 0.846 177.608 176.870 -0.181 0.000 0.707 1353 L CA 2.508 57.122 54.840 -0.377 0.000 2.938 1353 L CB -2.630 39.265 42.059 -0.273 0.000 0.825 1353 L HN 1.426 nan 8.230 nan 0.000 0.704 1354 Q N -1.850 117.867 119.800 -0.138 0.000 2.310 1354 Q HA 0.671 5.011 4.340 0.000 0.000 0.270 1354 Q C -0.496 175.484 176.000 -0.034 0.000 1.025 1354 Q CA -0.277 55.493 55.803 -0.055 0.000 0.772 1354 Q CB 0.850 29.564 28.738 -0.039 0.000 1.253 1354 Q HN 1.702 nan 8.270 nan 0.000 0.450 1355 Y N 1.555 121.801 120.300 -0.090 0.000 2.852 1355 Y HA 0.239 4.789 4.550 0.000 0.000 0.343 1355 Y C 1.609 177.472 175.900 -0.060 0.000 1.280 1355 Y CA 2.277 60.328 58.100 -0.081 0.000 1.604 1355 Y CB 0.142 38.550 38.460 -0.087 0.000 1.216 1355 Y HN 1.375 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 -0.429 3.531 3.960 0.000 0.000 0.248 1356 G HA3 -0.429 3.531 3.960 0.000 0.000 0.248 1356 G C 0.802 175.667 174.900 -0.058 0.000 0.979 1356 G CA 0.691 45.709 45.100 -0.136 0.000 0.650 1356 G HN 1.080 nan 8.290 nan 0.000 0.529 1357 N N -1.050 117.610 118.700 -0.067 0.000 2.364 1357 N HA 0.320 5.060 4.740 0.000 0.000 0.183 1357 N C 0.987 176.477 175.510 -0.033 0.000 1.022 1357 N CA 2.026 55.049 53.050 -0.045 0.000 0.883 1357 N CB 0.151 38.602 38.487 -0.060 0.000 0.965 1357 N HN 1.060 nan 8.380 nan 0.000 0.438 1358 V N -1.046 118.852 119.914 -0.028 0.000 2.789 1358 V HA 0.821 4.941 4.120 0.000 0.000 0.311 1358 V C 0.372 176.569 176.094 0.172 0.000 1.073 1358 V CA -0.657 61.660 62.300 0.029 0.000 0.921 1358 V CB 1.503 33.292 31.823 -0.058 0.000 1.009 1358 V HN 0.526 nan 8.190 nan 0.000 0.426 1359 G N 1.613 110.525 108.800 0.187 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 -1.937 173.108 174.900 0.242 0.000 1.334 1359 G CA -0.638 44.562 45.100 0.166 0.000 0.934 1359 G HN 0.488 nan 8.290 nan 0.000 0.476 1360 F N 1.837 121.783 119.950 -0.006 0.000 2.410 1360 F HA 0.636 5.163 4.527 0.000 0.000 0.349 1360 F C -0.218 175.556 175.800 -0.043 0.000 1.117 1360 F CA -0.510 57.514 58.000 0.040 0.000 1.104 1360 F CB 1.649 40.611 39.000 -0.062 0.000 1.122 1360 F HN 0.271 nan 8.300 nan 0.000 0.483 1361 V N 6.544 126.149 119.914 -0.516 0.000 2.513 1361 V HA 0.587 4.707 4.120 0.000 0.000 0.299 1361 V C -0.811 175.032 176.094 -0.420 0.000 1.035 1361 V CA -0.872 61.240 62.300 -0.314 0.000 0.889 1361 V CB 1.610 33.337 31.823 -0.160 0.000 0.988 1361 V HN 0.561 nan 8.190 nan 0.000 0.440 1362 V N 3.935 123.711 119.914 -0.229 0.000 2.482 1362 V HA 0.437 4.557 4.120 0.000 0.000 0.295 1362 V C -0.379 175.500 176.094 -0.359 0.000 1.026 1362 V CA -0.632 61.468 62.300 -0.335 0.000 0.856 1362 V CB 1.934 33.588 31.823 -0.282 0.000 1.001 1362 V HN 0.896 nan 8.190 nan 0.000 0.424 1363 N N 7.089 125.431 118.700 -0.597 0.000 2.546 1363 N HA 0.370 5.110 4.740 0.000 0.000 0.238 1363 N C -2.726 172.490 175.510 -0.490 0.000 0.984 1363 N CA -1.617 51.066 53.050 -0.612 0.000 0.935 1363 N CB 2.494 40.300 38.487 -1.135 0.000 1.122 1363 N HN 0.333 nan 8.380 nan 0.000 0.510 1364 P HA 0.143 nan 4.420 nan 0.000 0.275 1364 P C 0.199 177.427 177.300 -0.121 0.000 1.227 1364 P CA -0.195 62.767 63.100 -0.230 0.000 0.781 1364 P CB 2.084 33.641 31.700 -0.237 0.000 0.906 1365 K N 1.622 121.996 120.400 -0.043 0.000 2.128 1365 K HA 0.045 4.365 4.320 0.000 0.000 0.202 1365 K C 0.516 177.114 176.600 -0.002 0.000 1.050 1365 K CA 1.033 57.305 56.287 -0.025 0.000 0.966 1365 K CB 0.160 32.656 32.500 -0.006 0.000 0.759 1365 K HN 0.646 nan 8.250 nan 0.000 0.454 1366 T N -1.424 113.149 114.554 0.032 0.000 2.886 1366 T HA 0.518 4.868 4.350 0.000 0.000 0.292 1366 T C -0.860 173.870 174.700 0.051 0.000 1.012 1366 T CA -0.927 61.182 62.100 0.016 0.000 0.982 1366 T CB 2.024 70.884 68.868 -0.013 0.000 1.018 1366 T HN -0.180 nan 8.240 nan 0.000 0.451 1367 V N 4.140 124.065 119.914 0.019 0.000 2.443 1367 V HA 0.467 4.587 4.120 0.000 0.000 0.293 1367 V C -0.323 175.751 176.094 -0.033 0.000 1.021 1367 V CA -1.030 61.288 62.300 0.030 0.000 0.848 1367 V CB 1.316 33.147 31.823 0.013 0.000 0.998 1367 V HN 0.900 nan 8.190 nan 0.000 0.424 1368 N N 2.559 121.211 118.700 -0.080 0.000 2.413 1368 N HA 0.305 5.045 4.740 0.000 0.000 0.266 1368 N C -0.020 175.446 175.510 -0.073 0.000 1.238 1368 N CA -0.653 52.342 53.050 -0.093 0.000 0.972 1368 N CB 0.517 38.918 38.487 -0.143 0.000 1.210 1368 N HN 0.541 nan 8.380 nan 0.000 0.547 1369 Q N 1.221 120.982 119.800 -0.064 0.000 2.337 1369 Q HA 0.067 4.407 4.340 0.000 0.000 0.270 1369 Q C -0.094 175.874 176.000 -0.054 0.000 1.002 1369 Q CA 0.364 56.138 55.803 -0.048 0.000 0.888 1369 Q CB 0.096 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 -1.127 117.550 118.700 -0.038 0.000 2.776 1370 N HA -0.178 4.562 4.740 0.000 0.000 0.249 1370 N C -0.728 174.755 175.510 -0.044 0.000 1.111 1370 N CA 0.990 54.021 53.050 -0.032 0.000 0.711 1370 N CB -1.288 37.183 38.487 -0.027 0.000 1.065 1370 N HN 0.676 nan 8.380 nan 0.000 0.556 1371 A N 0.775 123.568 122.820 -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 0.176 52.200 52.037 -0.021 0.000 0.798 1371 A CB 0.675 19.701 19.000 0.044 0.000 1.033 1371 A HN 0.479 nan 8.150 nan 0.000 0.488 1372 R N 0.552 121.083 120.500 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 0.788 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 2.520 123.791 121.223 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 1.648 43.789 42.059 0.137 0.000 1.223 1373 L HN 0.448 nan 8.230 nan 0.000 0.421 1374 L N 4.770 126.121 121.223 0.212 0.000 2.262 1374 L HA 0.421 4.761 4.340 0.000 0.000 0.288 1374 L C -0.099 176.874 176.870 0.173 0.000 1.035 1374 L CA -0.284 54.714 54.840 0.263 0.000 0.820 1374 L CB 1.127 43.463 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 0.002 0.000 2.367 1375 M HA 0.549 5.029 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 -0.302 0.000 1.068 1375 M CB 1.450 33.827 32.600 -0.372 0.000 1.602 1375 M HN 0.564 nan 8.290 nan 0.000 0.457 1376 G N 2.444 110.767 108.800 -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 -2.035 172.395 174.900 -0.783 0.000 1.416 1376 G CA -0.285 44.134 45.100 -1.135 0.000 1.005 1376 G HN 0.581 nan 8.290 nan 0.000 0.509 1377 Y N 0.195 120.497 120.300 0.003 0.000 2.499 1377 Y HA 0.569 5.119 4.550 0.000 0.000 0.347 1377 Y C 0.284 176.418 175.900 0.389 0.000 0.987 1377 Y CA -0.909 57.399 58.100 0.347 0.000 1.044 1377 Y CB 2.739 41.526 38.460 0.545 0.000 1.245 1377 Y HN 0.420 nan 8.280 nan 0.000 0.461 1378 E N 2.369 122.878 120.200 0.514 0.000 2.176 1378 E HA 0.418 4.768 4.350 0.000 0.000 0.267 1378 E C -1.725 175.018 176.600 0.239 0.000 0.893 1378 E CA -0.758 55.785 56.400 0.238 0.000 0.761 1378 E CB 1.690 31.563 29.700 0.289 0.000 1.133 1378 E HN 0.560 nan 8.360 nan 0.000 0.409 1379 Y N 0.854 121.139 120.300 -0.025 0.000 2.670 1379 Y HA 0.588 5.138 4.550 0.000 0.000 0.334 1379 Y C -1.701 174.133 175.900 -0.109 0.000 1.185 1379 Y CA -1.445 56.547 58.100 -0.180 0.000 1.053 1379 Y CB 1.017 39.220 38.460 -0.430 0.000 1.298 1379 Y HN 0.306 nan 8.280 nan 0.000 0.459 1380 F N 0.647 120.694 119.950 0.163 0.000 2.522 1380 F HA 0.716 5.243 4.527 0.000 0.000 0.324 1380 F C 0.119 175.970 175.800 0.086 0.000 1.077 1380 F CA -0.945 57.100 58.000 0.074 0.000 0.944 1380 F CB 2.563 41.558 39.000 -0.008 0.000 1.175 1380 F HN 0.722 nan 8.300 nan 0.000 0.468 1381 T N 1.120 115.819 114.554 0.242 0.000 2.957 1381 T HA 0.277 4.627 4.350 0.000 0.000 0.336 1381 T C -1.063 173.686 174.700 0.083 0.000 1.462 1381 T CA -0.780 61.410 62.100 0.150 0.000 1.073 1381 T CB 1.209 70.123 68.868 0.076 0.000 1.319 1381 T HN 0.695 nan 8.240 nan 0.000 0.485 1382 S N 3.261 119.009 115.700 0.080 0.000 2.580 1382 S HA 0.356 4.826 4.470 0.000 0.000 0.274 1382 S C 1.258 175.885 174.600 0.044 0.000 1.329 1382 S CA -0.570 57.654 58.200 0.041 0.000 1.036 1382 S CB 0.947 64.173 63.200 0.043 0.000 0.919 1382 S HN 0.805 nan 8.310 nan 0.000 0.515 1383 R N 1.593 122.106 120.500 0.022 0.000 2.193 1383 R HA 0.048 4.388 4.340 0.000 0.000 0.229 1383 R C 1.505 177.829 176.300 0.039 0.000 1.110 1383 R CA 0.989 57.102 56.100 0.021 0.000 0.988 1383 R CB -1.746 28.567 30.300 0.021 0.000 0.871 1383 R HN 1.085 nan 8.270 nan 0.000 0.458 1384 T N 0.000 114.580 114.554 0.043 0.000 3.816 1384 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1384 T CA 0.000 62.128 62.100 0.046 0.000 1.349 1384 T CB 0.000 68.904 68.868 0.060 0.000 0.612 1384 T HN 0.000 nan 8.240 nan 0.000 0.658