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_G 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 0.634 121.859 121.223 0.003 0.000 2.749 1016 L HA 0.383 4.723 4.340 0.000 0.000 0.245 1016 L C 2.200 179.070 176.870 -0.001 0.000 1.156 1016 L CA 2.412 57.252 54.840 0.001 0.000 0.890 1016 L CB -2.542 39.518 42.059 0.003 0.000 1.036 1016 L HN 1.281 nan 8.230 nan 0.000 0.441 1017 R N -0.232 120.267 120.500 -0.002 0.000 2.062 1017 R HA -0.126 4.214 4.340 0.000 0.000 0.229 1017 R C 2.403 178.697 176.300 -0.009 0.000 1.128 1017 R CA 2.336 58.433 56.100 -0.006 0.000 0.960 1017 R CB -2.132 28.165 30.300 -0.005 0.000 0.855 1017 R HN 0.971 nan 8.270 nan 0.000 0.432 1018 N N 1.520 120.216 118.700 -0.007 0.000 2.091 1018 N HA -0.324 4.416 4.740 0.000 0.000 0.193 1018 N C 2.185 177.689 175.510 -0.009 0.000 1.021 1018 N CA 1.959 55.004 53.050 -0.009 0.000 0.862 1018 N CB -0.561 37.922 38.487 -0.006 0.000 1.018 1018 N HN 0.835 nan 8.380 nan 0.000 0.429 1019 Q N -0.533 119.264 119.800 -0.006 0.000 2.079 1019 Q HA 0.070 4.410 4.340 0.000 0.000 0.200 1019 Q C 2.820 178.816 176.000 -0.007 0.000 0.974 1019 Q CA 1.330 57.130 55.803 -0.005 0.000 0.840 1019 Q CB -0.220 28.517 28.738 -0.002 0.000 0.898 1019 Q HN 0.749 nan 8.270 nan 0.000 0.430 1020 A N 1.262 124.077 122.820 -0.008 0.000 1.877 1020 A HA -0.172 4.148 4.320 0.000 0.000 0.216 1020 A C 2.141 179.714 177.584 -0.018 0.000 1.186 1020 A CA 1.463 53.494 52.037 -0.011 0.000 0.620 1020 A CB -0.512 18.482 19.000 -0.011 0.000 0.822 1020 A HN 0.269 nan 8.150 nan 0.000 0.443 1021 M N -0.602 118.985 119.600 -0.022 0.000 2.132 1021 M HA -0.108 4.372 4.480 0.000 0.000 0.263 1021 M C 2.559 178.843 176.300 -0.026 0.000 1.065 1021 M CA 1.346 56.628 55.300 -0.031 0.000 1.122 1021 M CB -0.517 32.063 32.600 -0.034 0.000 1.365 1021 M HN 0.479 nan 8.290 nan 0.000 0.411 1022 A N 0.667 123.476 122.820 -0.018 0.000 1.902 1022 A HA -0.066 4.254 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 2.044 54.072 52.037 -0.014 0.000 0.623 1022 A CB -0.898 18.096 19.000 -0.010 0.000 0.818 1022 A HN 0.492 nan 8.150 nan 0.000 0.443 1023 A N 0.214 123.028 122.820 -0.010 0.000 1.873 1023 A HA -0.195 4.125 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 2.049 54.082 52.037 -0.006 0.000 0.616 1023 A CB -0.849 18.149 19.000 -0.003 0.000 0.823 1023 A HN 0.657 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 1.583 177.078 175.510 -0.025 0.000 1.037 1024 N CA 1.901 54.937 53.050 -0.023 0.000 0.855 1024 N CB -0.363 38.102 38.487 -0.036 0.000 1.033 1024 N HN 0.294 nan 8.380 nan 0.000 0.423 1025 L N 1.091 122.297 121.223 -0.028 0.000 2.079 1025 L HA -0.136 4.204 4.340 0.000 0.000 0.210 1025 L C 2.339 179.198 176.870 -0.018 0.000 1.081 1025 L CA 1.787 56.611 54.840 -0.027 0.000 0.752 1025 L CB -1.154 40.889 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 -0.188 4.152 4.340 0.000 0.000 0.200 1026 Q C 2.118 178.115 176.000 -0.005 0.000 0.974 1026 Q CA 1.712 57.510 55.803 -0.007 0.000 0.840 1026 Q CB -0.180 28.556 28.738 -0.003 0.000 0.898 1026 Q HN 0.624 nan 8.270 nan 0.000 0.430 1027 A N 1.347 124.165 122.820 -0.004 0.000 1.933 1027 A HA -0.209 4.111 4.320 0.000 0.000 0.218 1027 A C 2.134 179.714 177.584 -0.006 0.000 1.175 1027 A CA 1.459 53.497 52.037 0.000 0.000 0.628 1027 A CB -0.679 18.324 19.000 0.004 0.000 0.814 1027 A HN 0.436 nan 8.150 nan 0.000 0.444 1028 R N -0.276 120.216 120.500 -0.013 0.000 2.073 1028 R HA -0.187 4.153 4.340 0.000 0.000 0.234 1028 R C 2.286 178.576 176.300 -0.016 0.000 1.134 1028 R CA 1.880 57.969 56.100 -0.018 0.000 0.952 1028 R CB -0.358 29.928 30.300 -0.024 0.000 0.850 1028 R HN 0.694 nan 8.270 nan 0.000 0.433 1029 Q N 0.102 119.894 119.800 -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 1.532 57.327 55.803 -0.013 0.000 0.850 1029 Q CB -0.093 28.638 28.738 -0.011 0.000 0.901 1029 Q HN 0.476 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 0.747 62.047 61.300 0.001 0.000 1.385 1030 I CB -0.269 37.736 38.000 0.009 0.000 1.064 1030 I HN 0.008 nan 8.210 nan 0.000 0.414 1031 V N 1.203 121.111 119.914 -0.009 0.000 2.295 1031 V HA -0.275 3.845 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 1.759 64.048 62.300 -0.018 0.000 1.024 1031 V CB -0.437 31.370 31.823 -0.027 0.000 0.648 1031 V HN 0.360 nan 8.190 nan 0.000 0.447 1032 L N -0.368 120.840 121.223 -0.025 0.000 2.083 1032 L HA -0.239 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 1.991 56.809 54.840 -0.036 0.000 0.752 1032 L CB -0.564 41.474 42.059 -0.036 0.000 0.899 1032 L HN 0.439 nan 8.230 nan 0.000 0.433 1033 Q N -0.607 119.181 119.800 -0.019 0.000 2.083 1033 Q HA -0.193 4.147 4.340 0.000 0.000 0.198 1033 Q C 2.166 178.169 176.000 0.006 0.000 0.969 1033 Q CA 1.135 56.932 55.803 -0.009 0.000 0.838 1033 Q CB 0.214 28.950 28.738 -0.003 0.000 0.900 1033 Q HN 0.458 nan 8.270 nan 0.000 0.436 1034 Q N 0.301 120.107 119.800 0.010 0.000 2.250 1034 Q HA 0.053 4.393 4.340 0.000 0.000 0.200 1034 Q C 1.241 177.267 176.000 0.043 0.000 0.941 1034 Q CA 0.749 56.569 55.803 0.028 0.000 0.872 1034 Q CB 0.423 29.176 28.738 0.026 0.000 0.965 1034 Q HN 0.346 nan 8.270 nan 0.000 0.480 1035 S N -0.562 115.153 115.700 0.025 0.000 2.634 1035 S HA 0.318 4.788 4.470 0.000 0.000 0.261 1035 S C -0.577 174.067 174.600 0.075 0.000 1.271 1035 S CA -0.631 57.594 58.200 0.042 0.000 0.985 1035 S CB 0.777 63.979 63.200 0.004 0.000 0.968 1035 S HN 0.205 nan 8.310 nan 0.000 0.568 1036 Y N 0.838 121.117 120.300 -0.034 0.000 2.391 1036 Y HA 0.525 5.075 4.550 0.000 0.000 0.341 1036 Y C -2.829 173.016 175.900 -0.093 0.000 0.965 1036 Y CA -2.284 55.785 58.100 -0.051 0.000 1.067 1036 Y CB 1.908 40.344 38.460 -0.041 0.000 1.199 1036 Y HN 0.517 nan 8.280 nan 0.000 0.450 1037 P HA 0.235 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 -0.362 0.000 0.776 1037 P CB 1.058 32.518 31.700 -0.400 0.000 0.888 1038 V N 4.737 124.437 119.914 -0.357 0.000 2.760 1038 V HA 0.466 4.586 4.120 0.000 0.000 0.309 1038 V C -0.276 175.628 176.094 -0.317 0.000 1.077 1038 V CA -0.633 61.449 62.300 -0.363 0.000 0.910 1038 V CB 2.346 33.755 31.823 -0.689 0.000 1.008 1038 V HN 0.472 nan 8.190 nan 0.000 0.424 1039 I N 3.704 124.226 120.570 -0.079 0.000 2.418 1039 I HA 0.628 4.798 4.170 0.000 0.000 0.287 1039 I C -0.746 175.489 176.117 0.196 0.000 1.008 1039 I CA -0.093 61.251 61.300 0.074 0.000 1.104 1039 I CB 1.520 39.556 38.000 0.060 0.000 1.264 1039 I HN 0.844 nan 8.210 nan 0.000 0.438 1040 Q N 6.674 126.678 119.800 0.340 0.000 2.331 1040 Q HA 0.296 4.636 4.340 0.000 0.000 0.272 1040 Q C -1.449 174.777 176.000 0.376 0.000 1.062 1040 Q CA -0.756 55.269 55.803 0.369 0.000 0.806 1040 Q CB 2.247 31.201 28.738 0.360 0.000 1.312 1040 Q HN 0.729 nan 8.270 nan 0.000 0.431 1041 Q N 2.042 121.995 119.800 0.256 0.000 2.311 1041 Q HA 0.168 4.508 4.340 0.000 0.000 0.272 1041 Q C 0.201 176.212 176.000 0.019 0.000 1.012 1041 Q CA 0.175 55.923 55.803 -0.092 0.000 0.891 1041 Q CB 0.982 29.589 28.738 -0.217 0.000 1.201 1041 Q HN 0.643 nan 8.270 nan 0.000 0.391 1042 V N 0.086 120.006 119.914 0.011 0.000 3.572 1042 V HA 0.431 4.551 4.120 0.000 0.000 0.260 1042 V C 0.074 176.181 176.094 0.023 0.000 1.324 1042 V CA 0.423 62.759 62.300 0.060 0.000 1.068 1042 V CB 0.403 32.303 31.823 0.128 0.000 0.837 1042 V HN 0.834 nan 8.190 nan 0.000 0.450 1043 E N -0.619 119.572 120.200 -0.014 0.000 2.400 1043 E HA 0.521 4.871 4.350 0.000 0.000 0.285 1043 E C -1.582 174.962 176.600 -0.095 0.000 1.005 1043 E CA -0.295 56.094 56.400 -0.018 0.000 0.816 1043 E CB 2.196 31.938 29.700 0.071 0.000 1.220 1043 E HN 0.270 nan 8.360 nan 0.000 0.426 1044 T N 2.559 116.994 114.554 -0.198 0.000 2.909 1044 T HA 0.559 4.909 4.350 0.000 0.000 0.299 1044 T C -1.392 173.005 174.700 -0.504 0.000 1.073 1044 T CA -0.642 61.248 62.100 -0.350 0.000 0.999 1044 T CB 1.779 70.513 68.868 -0.223 0.000 1.098 1044 T HN 0.475 nan 8.240 nan 0.000 0.477 1045 Q N 0.796 120.113 119.800 -0.805 0.000 2.438 1045 Q HA 0.554 4.894 4.340 0.000 0.000 0.272 1045 Q C -1.823 173.881 176.000 -0.493 0.000 0.994 1045 Q CA -0.583 54.825 55.803 -0.659 0.000 0.887 1045 Q CB 1.927 30.166 28.738 -0.831 0.000 1.432 1045 Q HN 0.657 nan 8.270 nan 0.000 0.392 1046 T N 3.630 118.054 114.554 -0.217 0.000 2.841 1046 T HA 0.814 5.164 4.350 0.000 0.000 0.283 1046 T C -1.155 173.564 174.700 0.031 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 -0.494 119.361 119.950 -0.158 0.000 2.745 1047 F HA 0.740 5.267 4.527 0.000 0.000 0.316 1047 F C -1.730 174.053 175.800 -0.028 0.000 1.155 1047 F CA -1.262 56.710 58.000 -0.046 0.000 0.937 1047 F CB 1.243 40.282 39.000 0.065 0.000 1.361 1047 F HN 0.330 nan 8.300 nan 0.000 0.472 1048 D N 1.385 121.867 120.400 0.137 0.000 2.381 1048 D HA 0.426 5.066 4.640 0.000 0.000 0.235 1048 D C -2.168 174.269 176.300 0.228 0.000 1.068 1048 D CA -2.407 51.624 54.000 0.053 0.000 0.832 1048 D CB 2.290 43.143 40.800 0.088 0.000 1.101 1048 D HN 0.205 nan 8.370 nan 0.000 0.515 1049 P HA -0.119 nan 4.420 nan 0.000 0.220 1049 P C 0.906 178.332 177.300 0.211 0.000 1.144 1049 P CA 1.007 64.245 63.100 0.230 0.000 0.800 1049 P CB 0.311 32.020 31.700 0.014 0.000 0.772 1050 A N -0.732 122.198 122.820 0.183 0.000 2.015 1050 A HA -0.175 4.145 4.320 0.000 0.000 0.219 1050 A C 2.057 179.714 177.584 0.122 0.000 1.163 1050 A CA 1.587 53.714 52.037 0.149 0.000 0.646 1050 A CB -0.828 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 -1.420 117.362 118.700 0.137 0.000 2.387 1051 N HA 0.102 4.842 4.740 0.000 0.000 0.176 1051 N C 0.749 176.299 175.510 0.067 0.000 1.022 1051 N CA 0.575 53.685 53.050 0.100 0.000 0.883 1051 N CB 0.206 38.759 38.487 0.110 0.000 1.019 1051 N HN 0.559 nan 8.380 nan 0.000 0.435 1052 R N -0.741 119.823 120.500 0.107 0.000 2.664 1052 R HA 0.262 4.602 4.340 0.000 0.000 0.266 1052 R C -0.926 175.373 176.300 -0.001 0.000 1.046 1052 R CA -0.070 56.000 56.100 -0.049 0.000 0.885 1052 R CB 0.728 30.888 30.300 -0.234 0.000 1.254 1052 R HN 0.059 nan 8.270 nan 0.000 0.465 1053 S N 0.101 115.720 115.700 -0.133 0.000 2.800 1053 S HA 0.214 4.684 4.470 0.000 0.000 0.266 1053 S C -0.677 173.937 174.600 0.024 0.000 1.029 1053 S CA -0.318 57.933 58.200 0.086 0.000 1.302 1053 S CB 0.857 64.183 63.200 0.211 0.000 1.212 1053 S HN 0.146 nan 8.310 nan 0.000 0.683 1054 V N 2.883 122.580 119.914 -0.362 0.000 2.448 1054 V HA 0.677 4.797 4.120 0.000 0.000 0.295 1054 V C -1.342 174.366 176.094 -0.643 0.000 1.025 1054 V CA -0.422 61.700 62.300 -0.297 0.000 0.859 1054 V CB 0.996 32.685 31.823 -0.223 0.000 0.988 1054 V HN 0.426 nan 8.190 nan 0.000 0.431 1055 F N 2.146 122.023 119.950 -0.121 0.000 2.576 1055 F HA 0.509 5.036 4.527 0.000 0.000 0.313 1055 F C -0.070 175.649 175.800 -0.135 0.000 1.078 1055 F CA -0.844 57.086 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 2.594 123.030 120.400 0.059 0.000 2.453 1056 D HA 0.361 5.001 4.640 0.000 0.000 0.238 1056 D C -1.177 175.129 176.300 0.010 0.000 1.088 1056 D CA -0.086 53.905 54.000 -0.016 0.000 0.854 1056 D CB 1.648 42.414 40.800 -0.056 0.000 1.076 1056 D HN 0.219 nan 8.370 nan 0.000 0.533 1057 V N 3.363 123.256 119.914 -0.035 0.000 2.546 1057 V HA 0.276 4.396 4.120 0.000 0.000 0.284 1057 V C 0.687 176.743 176.094 -0.064 0.000 1.050 1057 V CA -0.226 62.057 62.300 -0.027 0.000 0.981 1057 V CB 1.682 33.459 31.823 -0.077 0.000 0.990 1057 V HN 0.530 nan 8.190 nan 0.000 0.474 1058 T N 7.271 121.811 114.554 -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 -0.868 61.219 62.100 -0.022 0.000 0.948 1058 T CB 1.197 70.059 68.868 -0.010 0.000 0.962 1058 T HN 0.474 nan 8.240 nan 0.000 0.465 1059 P HA 0.385 nan 4.420 nan 0.000 0.273 1059 P C -0.709 176.650 177.300 0.098 0.000 1.250 1059 P CA -0.562 62.622 63.100 0.141 0.000 0.793 1059 P CB 0.472 32.359 31.700 0.311 0.000 1.011 1060 A N 1.176 124.046 122.820 0.084 0.000 2.327 1060 A HA 0.227 4.547 4.320 0.000 0.000 0.283 1060 A C 0.015 177.575 177.584 -0.040 0.000 1.127 1060 A CA -0.471 51.564 52.037 -0.004 0.000 0.810 1060 A CB -0.384 18.581 19.000 -0.059 0.000 1.066 1060 A HN 0.572 nan 8.150 nan 0.000 0.492 1061 N N 0.921 119.599 118.700 -0.037 0.000 2.868 1061 N HA 0.362 5.102 4.740 0.000 0.000 0.252 1061 N C -1.163 174.299 175.510 -0.080 0.000 1.130 1061 N CA -0.029 53.001 53.050 -0.033 0.000 1.026 1061 N CB 0.933 39.420 38.487 0.000 0.000 1.335 1061 N HN 0.391 nan 8.380 nan 0.000 0.516 1062 V N 1.555 121.363 119.914 -0.176 0.000 2.733 1062 V HA 0.676 4.796 4.120 0.000 0.000 0.306 1062 V C 0.638 176.627 176.094 -0.176 0.000 1.084 1062 V CA 0.174 62.347 62.300 -0.211 0.000 0.905 1062 V CB 0.944 32.540 31.823 -0.379 0.000 1.010 1062 V HN 0.758 nan 8.190 nan 0.000 0.424 1063 G N 6.257 115.038 108.800 -0.033 0.000 2.594 1063 G HA2 -0.266 3.694 3.960 0.000 0.000 0.297 1063 G HA3 -0.266 3.694 3.960 0.000 0.000 0.297 1063 G C -0.096 174.811 174.900 0.012 0.000 1.273 1063 G CA 0.545 45.655 45.100 0.017 0.000 0.974 1063 G HN 1.247 nan 8.290 nan 0.000 0.552 1064 I N 0.765 121.363 120.570 0.047 0.000 2.312 1064 I HA 0.374 4.543 4.170 0.000 0.000 0.290 1064 I C 0.390 176.547 176.117 0.067 0.000 1.008 1064 I CA -0.722 60.597 61.300 0.032 0.000 1.226 1064 I CB 1.570 39.575 38.000 0.008 0.000 1.371 1064 I HN 0.320 nan 8.210 nan 0.000 0.468 1065 V N 7.705 127.629 119.914 0.018 0.000 2.461 1065 V HA 0.182 4.302 4.120 0.000 0.000 0.275 1065 V C 0.924 176.958 176.094 -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 2.928 123.270 120.400 -0.097 0.000 2.276 1066 K HA 0.458 4.778 4.320 0.000 0.000 0.198 1066 K C 0.808 177.316 176.600 -0.153 0.000 1.052 1066 K CA 0.723 56.992 56.287 -0.030 0.000 0.984 1066 K CB 0.762 33.329 32.500 0.112 0.000 0.836 1066 K HN 0.899 nan 8.250 nan 0.000 0.490 1067 G N 0.219 108.711 108.800 -0.513 0.000 2.320 1067 G HA2 0.390 4.350 3.960 0.000 0.000 0.296 1067 G HA3 0.390 4.350 3.960 0.000 0.000 0.296 1067 G C -1.975 172.059 174.900 -1.445 0.000 1.306 1067 G CA -0.995 43.439 45.100 -1.110 0.000 0.836 1067 G HN -0.002 nan 8.290 nan 0.000 0.517 1068 F N -0.455 118.893 119.950 -1.004 0.000 2.547 1068 F HA 0.642 5.169 4.527 0.000 0.000 0.316 1068 F C -0.227 175.436 175.800 -0.229 0.000 1.121 1068 F CA -0.805 56.952 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 4.620 126.098 121.223 0.425 0.000 2.265 1069 L HA 0.698 5.038 4.340 0.000 0.000 0.289 1069 L C -1.034 176.174 176.870 0.564 0.000 1.033 1069 L CA -0.479 54.749 54.840 0.647 0.000 0.814 1069 L CB 1.077 43.568 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 0.494 0.000 2.347 1070 V HA 0.400 4.520 4.120 0.000 0.000 0.280 1070 V C 0.041 176.330 176.094 0.325 0.000 1.021 1070 V CA -0.789 61.741 62.300 0.383 0.000 0.847 1070 V CB 1.182 33.163 31.823 0.263 0.000 0.990 1070 V HN 0.714 nan 8.190 nan 0.000 0.444 1071 K N 4.282 124.789 120.400 0.179 0.000 2.211 1071 K HA 0.703 5.023 4.320 0.000 0.000 0.275 1071 K C -1.389 175.209 176.600 -0.003 0.000 1.024 1071 K CA -0.388 55.749 56.287 -0.251 0.000 0.887 1071 K CB 1.594 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 3.527 123.425 119.914 -0.028 0.000 2.531 1072 V HA 0.360 4.480 4.120 0.000 0.000 0.301 1072 V C -0.378 175.747 176.094 0.051 0.000 1.034 1072 V CA -0.833 61.551 62.300 0.141 0.000 0.865 1072 V CB 1.673 33.706 31.823 0.350 0.000 0.995 1072 V HN 1.000 nan 8.190 nan 0.000 0.424 1073 T N 1.321 115.894 114.554 0.033 0.000 2.908 1073 T HA 0.957 5.307 4.350 0.000 0.000 0.290 1073 T C -0.491 174.226 174.700 0.028 0.000 1.034 1073 T CA -0.541 61.577 62.100 0.030 0.000 1.010 1073 T CB 2.270 71.142 68.868 0.008 0.000 1.068 1073 T HN 1.354 nan 8.240 nan 0.000 0.481 1074 A N 0.836 123.707 122.820 0.085 0.000 2.594 1074 A HA 0.908 5.228 4.320 0.000 0.000 0.295 1074 A C -0.950 176.725 177.584 0.152 0.000 1.071 1074 A CA -0.807 51.312 52.037 0.135 0.000 0.685 1074 A CB 1.271 20.456 19.000 0.309 0.000 1.285 1074 A HN 1.657 nan 8.150 nan 0.000 0.405 1075 A N 1.368 124.280 122.820 0.154 0.000 2.318 1075 A HA 0.766 5.086 4.320 0.000 0.000 0.317 1075 A C -0.830 176.820 177.584 0.110 0.000 1.159 1075 A CA -0.288 51.808 52.037 0.098 0.000 0.799 1075 A CB 0.367 19.395 19.000 0.047 0.000 1.194 1075 A HN 0.747 nan 8.150 nan 0.000 0.479 1076 I N 2.095 122.676 120.570 0.017 0.000 2.406 1076 I HA 0.339 4.509 4.170 0.000 0.000 0.290 1076 I C -0.262 175.758 176.117 -0.161 0.000 0.999 1076 I CA -0.228 61.008 61.300 -0.107 0.000 1.124 1076 I CB 2.413 40.327 38.000 -0.142 0.000 1.289 1076 I HN 0.559 nan 8.210 nan 0.000 0.441 1077 T N 4.458 118.901 114.554 -0.186 0.000 2.771 1077 T HA 0.215 4.565 4.350 0.000 0.000 0.281 1077 T C -0.054 174.490 174.700 -0.260 0.000 0.982 1077 T CA -0.536 61.457 62.100 -0.179 0.000 0.978 1077 T CB 0.800 69.602 68.868 -0.110 0.000 0.930 1077 T HN 0.384 nan 8.240 nan 0.000 0.447 1078 N N 2.953 121.513 118.700 -0.233 0.000 2.521 1078 N HA 0.073 4.813 4.740 0.000 0.000 0.236 1078 N C 0.651 176.081 175.510 -0.132 0.000 1.067 1078 N CA -0.246 52.667 53.050 -0.228 0.000 0.939 1078 N CB 0.192 38.556 38.487 -0.205 0.000 1.201 1078 N HN 0.666 nan 8.380 nan 0.000 0.511 1079 N N 2.276 120.901 118.700 -0.125 0.000 2.383 1079 N HA -0.109 4.631 4.740 0.000 0.000 0.192 1079 N C -0.194 175.283 175.510 -0.054 0.000 1.141 1079 N CA -0.205 52.795 53.050 -0.083 0.000 0.851 1079 N CB 0.104 38.538 38.487 -0.088 0.000 0.976 1079 N HN 0.566 nan 8.380 nan 0.000 0.465 1080 H N -0.305 118.697 119.070 -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 0.740 56.738 56.048 -0.084 0.000 1.419 1080 H CB 1.345 31.056 29.762 -0.085 0.000 1.401 1080 H HN 0.178 nan 8.280 nan 0.000 0.609 1081 A N 2.411 125.025 122.820 -0.344 0.000 1.898 1081 A HA -0.112 4.208 4.320 0.000 0.000 0.216 1081 A C 1.880 179.493 177.584 0.048 0.000 1.181 1081 A CA 2.077 54.033 52.037 -0.135 0.000 0.620 1081 A CB -0.462 18.415 19.000 -0.204 0.000 0.819 1081 A HN 0.870 nan 8.150 nan 0.000 0.442 1082 T N -4.827 109.890 114.554 0.273 0.000 3.046 1082 T HA 0.206 4.556 4.350 0.000 0.000 0.270 1082 T C -0.075 174.703 174.700 0.129 0.000 0.920 1082 T CA -0.296 61.910 62.100 0.178 0.000 0.874 1082 T CB 0.204 69.139 68.868 0.111 0.000 1.214 1082 T HN 0.176 nan 8.240 nan 0.000 0.536 1083 E N 1.601 121.865 120.200 0.107 0.000 2.204 1083 E HA 0.755 5.105 4.350 0.000 0.000 0.276 1083 E C -0.251 176.237 176.600 -0.186 0.000 0.974 1083 E CA -0.449 55.820 56.400 -0.218 0.000 0.815 1083 E CB 2.016 31.364 29.700 -0.587 0.000 1.119 1083 E HN 0.516 nan 8.360 nan 0.000 0.393 1084 A N 1.911 124.657 122.820 -0.123 0.000 2.247 1084 A HA 0.729 5.049 4.320 0.000 0.000 0.313 1084 A C -0.115 177.414 177.584 -0.091 0.000 1.109 1084 A CA -0.543 51.437 52.037 -0.095 0.000 0.890 1084 A CB 0.786 19.755 19.000 -0.052 0.000 1.239 1084 A HN 0.399 nan 8.150 nan 0.000 0.506 1085 V N -4.083 115.796 119.914 -0.059 0.000 3.078 1085 V HA 0.950 5.070 4.120 0.000 0.000 0.311 1085 V C -0.245 175.932 176.094 0.138 0.000 1.138 1085 V CA -0.331 61.984 62.300 0.024 0.000 1.007 1085 V CB 1.125 32.965 31.823 0.027 0.000 1.045 1085 V HN 1.912 nan 8.190 nan 0.000 0.432 1086 A N 2.443 125.402 122.820 0.231 0.000 2.454 1086 A HA 0.851 5.171 4.320 0.000 0.000 0.302 1086 A C -0.561 177.154 177.584 0.219 0.000 1.079 1086 A CA -0.993 51.198 52.037 0.257 0.000 0.731 1086 A CB 1.465 20.530 19.000 0.108 0.000 1.299 1086 A HN 1.105 nan 8.150 nan 0.000 0.413 1087 L N 1.882 123.123 121.223 0.029 0.000 2.543 1087 L HA 0.123 4.463 4.340 0.000 0.000 0.285 1087 L C 1.490 178.260 176.870 -0.167 0.000 1.236 1087 L CA 0.165 54.815 54.840 -0.318 0.000 0.871 1087 L CB 0.371 42.277 42.059 -0.255 0.000 1.121 1087 L HN 0.996 nan 8.230 nan 0.000 0.501 1088 T N -1.883 112.544 114.554 -0.213 0.000 2.770 1088 T HA 0.085 4.435 4.350 0.000 0.000 0.281 1088 T C 0.757 175.369 174.700 -0.147 0.000 0.981 1088 T CA -0.788 61.205 62.100 -0.179 0.000 0.955 1088 T CB 0.787 69.514 68.868 -0.236 0.000 1.060 1088 T HN 0.504 nan 8.240 nan 0.000 0.531 1089 D N -0.223 120.063 120.400 -0.190 0.000 2.178 1089 D HA -0.016 4.624 4.640 0.000 0.000 0.201 1089 D C 1.524 177.966 176.300 0.237 0.000 0.980 1089 D CA 1.063 55.043 54.000 -0.033 0.000 0.842 1089 D CB -0.227 40.506 40.800 -0.112 0.000 0.948 1089 D HN 0.472 nan 8.370 nan 0.000 0.472 1090 F N 0.184 120.060 119.950 -0.123 0.000 2.473 1090 F HA 0.245 4.772 4.527 0.000 0.000 0.294 1090 F C 2.186 177.932 175.800 -0.090 0.000 1.103 1090 F CA 0.412 58.375 58.000 -0.061 0.000 1.442 1090 F CB -0.947 37.985 39.000 -0.113 0.000 1.097 1090 F HN -0.028 nan 8.300 nan 0.000 0.547 1091 G N 2.681 111.498 108.800 0.028 0.000 2.672 1091 G HA2 -0.339 3.621 3.960 0.000 0.000 0.324 1091 G HA3 -0.339 3.621 3.960 0.000 0.000 0.324 1091 G C -1.116 173.756 174.900 -0.047 0.000 1.286 1091 G CA 0.560 45.596 45.100 -0.106 0.000 1.004 1091 G HN 0.209 nan 8.290 nan 0.000 0.548 1092 P HA 0.038 nan 4.420 nan 0.000 0.228 1092 P C 1.605 178.916 177.300 0.019 0.000 1.151 1092 P CA 2.276 65.385 63.100 0.015 0.000 0.770 1092 P CB -0.379 31.323 31.700 0.004 0.000 0.786 1093 A N 0.058 122.850 122.820 -0.047 0.000 2.172 1093 A HA -0.095 4.225 4.320 0.000 0.000 0.216 1093 A C 1.840 179.558 177.584 0.224 0.000 1.154 1093 A CA 1.000 53.004 52.037 -0.055 0.000 0.701 1093 A CB -0.974 17.885 19.000 -0.235 0.000 0.789 1093 A HN 0.125 nan 8.150 nan 0.000 0.465 1094 N N -0.385 118.446 118.700 0.217 0.000 2.268 1094 N HA 0.184 4.924 4.740 0.000 0.000 0.204 1094 N C 1.054 176.707 175.510 0.238 0.000 1.124 1094 N CA 0.077 53.277 53.050 0.251 0.000 0.838 1094 N CB 0.104 38.719 38.487 0.213 0.000 0.994 1094 N HN 0.468 nan 8.380 nan 0.000 0.489 1095 L N -0.252 121.146 121.223 0.291 0.000 2.201 1095 L HA -0.004 4.336 4.340 0.000 0.000 0.212 1095 L C 0.300 177.348 176.870 0.297 0.000 1.105 1095 L CA 0.784 55.824 54.840 0.333 0.000 0.775 1095 L CB 0.227 42.505 42.059 0.365 0.000 0.913 1095 L HN -0.120 nan 8.230 nan 0.000 0.440 1096 V N -0.097 119.916 119.914 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 -0.550 61.615 62.300 -0.225 0.000 0.850 1096 V CB 1.707 33.080 31.823 -0.750 0.000 0.987 1096 V HN 0.162 nan 8.190 nan 0.000 0.436 1097 Q N 3.508 123.227 119.800 -0.135 0.000 2.123 1097 Q HA 0.194 4.534 4.340 0.000 0.000 0.196 1097 Q C 0.469 176.376 176.000 -0.155 0.000 0.958 1097 Q CA 1.022 56.788 55.803 -0.062 0.000 0.841 1097 Q CB 0.461 29.197 28.738 -0.005 0.000 0.915 1097 Q HN 0.627 nan 8.270 nan 0.000 0.455 1098 R N -1.056 119.302 120.500 -0.237 0.000 2.710 1098 R HA 0.632 4.972 4.340 0.000 0.000 0.270 1098 R C -1.378 174.734 176.300 -0.313 0.000 1.021 1098 R CA -0.519 55.431 56.100 -0.249 0.000 0.889 1098 R CB 2.249 32.451 30.300 -0.165 0.000 1.243 1098 R HN -0.187 nan 8.270 nan 0.000 0.464 1099 V N 2.566 122.312 119.914 -0.280 0.000 2.841 1099 V HA 0.621 4.741 4.120 0.000 0.000 0.310 1099 V C -0.766 175.215 176.094 -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 3.685 124.163 120.570 -0.152 0.000 2.607 1100 I HA 0.452 4.622 4.170 0.000 0.000 0.290 1100 I C -1.741 174.325 176.117 -0.086 0.000 1.129 1100 I CA -0.704 60.516 61.300 -0.133 0.000 1.042 1100 I CB 2.377 40.309 38.000 -0.113 0.000 1.242 1100 I HN 0.688 nan 8.210 nan 0.000 0.421 1101 Y N 6.247 126.402 120.300 -0.241 0.000 2.376 1101 Y HA 0.593 5.143 4.550 0.000 0.000 0.340 1101 Y C -1.710 174.065 175.900 -0.208 0.000 0.965 1101 Y CA -0.698 57.295 58.100 -0.178 0.000 1.078 1101 Y CB 1.286 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 4.655 124.446 120.300 -0.849 0.000 2.364 1102 Y HA 0.294 4.844 4.550 0.000 0.000 0.340 1102 Y C -0.105 175.257 175.900 -0.898 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 2.692 122.944 120.400 -0.246 0.000 2.451 1103 D HA 0.237 4.877 4.640 0.000 0.000 0.259 1103 D C -2.207 174.093 176.300 0.001 0.000 1.201 1103 D CA -2.289 51.665 54.000 -0.077 0.000 1.028 1103 D CB 0.386 41.328 40.800 0.236 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 1.015 64.137 63.100 0.037 0.000 0.795 1104 P CB 0.103 31.836 31.700 0.054 0.000 0.775 1105 D N -1.679 118.765 120.400 0.073 0.000 2.358 1105 D HA 0.034 4.674 4.640 0.000 0.000 0.224 1105 D C 0.466 176.811 176.300 0.074 0.000 1.123 1105 D CA 0.050 54.092 54.000 0.070 0.000 0.833 1105 D CB -1.062 39.789 40.800 0.085 0.000 0.946 1105 D HN 0.208 nan 8.370 nan 0.000 0.505 1106 N N 0.635 119.381 118.700 0.076 0.000 2.800 1106 N HA -0.261 4.479 4.740 0.000 0.000 0.250 1106 N C -0.161 175.464 175.510 0.191 0.000 1.078 1106 N CA 0.190 53.303 53.050 0.106 0.000 0.804 1106 N CB -0.424 38.092 38.487 0.049 0.000 1.135 1106 N HN 0.158 nan 8.380 nan 0.000 0.565 1107 Q N 1.617 121.521 119.800 0.173 0.000 2.256 1107 Q HA 0.355 4.695 4.340 0.000 0.000 0.254 1107 Q C -0.517 175.575 176.000 0.153 0.000 0.916 1107 Q CA -0.244 55.646 55.803 0.144 0.000 0.932 1107 Q CB 0.879 29.679 28.738 0.104 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 0.004 0.000 2.441 1108 R HA 0.283 4.623 4.340 0.000 0.000 0.284 1108 R C 0.260 176.568 176.300 0.013 0.000 1.070 1108 R CA -0.144 55.859 56.100 -0.162 0.000 1.047 1108 R CB 0.689 30.776 30.300 -0.355 0.000 1.016 1108 R HN 0.821 nan 8.270 nan 0.000 0.477 1109 H N 0.199 119.231 119.070 -0.062 0.000 5.067 1109 H HA 0.147 4.703 4.556 0.000 0.000 0.118 1109 H C 0.076 175.324 175.328 -0.133 0.000 1.355 1109 H CA -0.365 55.662 56.048 -0.036 0.000 0.741 1109 H CB 0.276 30.087 29.762 0.081 0.000 1.615 1109 H HN 0.380 nan 8.280 nan 0.000 0.266 1110 T N 1.535 116.094 114.554 0.008 0.000 2.916 1110 T HA 0.088 4.438 4.350 0.000 0.000 0.303 1110 T C 0.112 174.747 174.700 -0.108 0.000 1.025 1110 T CA 0.467 62.494 62.100 -0.123 0.000 1.142 1110 T CB 0.317 69.074 68.868 -0.184 0.000 0.947 1110 T HN 0.394 nan 8.240 nan 0.000 0.544 1111 E N 2.208 122.348 120.200 -0.100 0.000 2.642 1111 E HA 0.431 4.781 4.350 0.000 0.000 0.284 1111 E C -0.776 175.781 176.600 -0.071 0.000 1.039 1111 E CA -0.474 55.869 56.400 -0.096 0.000 0.777 1111 E CB 0.910 30.562 29.700 -0.079 0.000 1.473 1111 E HN 0.589 nan 8.360 nan 0.000 0.388 1112 T N 0.977 115.462 114.554 -0.114 0.000 2.671 1112 T HA 0.464 4.814 4.350 0.000 0.000 0.300 1112 T C -0.911 173.656 174.700 -0.223 0.000 1.238 1112 T CA -0.195 61.832 62.100 -0.121 0.000 1.020 1112 T CB 1.050 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 -0.047 115.448 115.700 -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 0.052 57.974 58.200 -0.463 0.000 1.010 1113 S CB 0.861 63.545 63.200 -0.860 0.000 0.944 1113 S HN 1.070 nan 8.310 nan 0.000 0.536 1114 G N 1.079 109.679 108.800 -0.333 0.000 2.418 1114 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 1114 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 1114 G C 1.321 176.210 174.900 -0.018 0.000 1.158 1114 G CA 0.753 45.709 45.100 -0.240 0.000 0.771 1114 G HN 0.960 nan 8.290 nan 0.000 0.545 1115 W N 0.188 121.445 121.300 -0.072 0.000 2.388 1115 W HA -0.021 4.639 4.660 0.000 0.000 0.294 1115 W C 1.784 177.992 176.519 -0.520 0.000 1.212 1115 W CA 0.833 57.950 57.345 -0.381 0.000 1.271 1115 W CB -1.032 28.167 29.460 -0.435 0.000 1.126 1115 W HN 0.416 nan 8.180 nan 0.000 0.535 1116 H N 1.267 119.975 119.070 -0.603 0.000 2.357 1116 H HA -0.180 4.376 4.556 0.000 0.000 0.301 1116 H C 2.351 177.573 175.328 -0.176 0.000 1.082 1116 H CA 1.786 57.612 56.048 -0.371 0.000 1.342 1116 H CB -0.123 29.255 29.762 -0.640 0.000 1.389 1116 H HN 0.118 nan 8.280 nan 0.000 0.511 1117 L N 1.058 122.060 121.223 -0.369 0.000 2.042 1117 L HA -0.217 4.123 4.340 0.000 0.000 0.210 1117 L C 2.588 179.361 176.870 -0.163 0.000 1.076 1117 L CA 2.455 57.112 54.840 -0.304 0.000 0.749 1117 L CB -1.108 40.841 42.059 -0.183 0.000 0.893 1117 L HN 0.375 nan 8.230 nan 0.000 0.432 1118 H N -1.039 117.956 119.070 -0.124 0.000 2.353 1118 H HA -0.186 4.370 4.556 0.000 0.000 0.300 1118 H C 1.929 177.237 175.328 -0.032 0.000 1.090 1118 H CA 2.228 58.197 56.048 -0.131 0.000 1.327 1118 H CB -0.586 29.070 29.762 -0.176 0.000 1.383 1118 H HN 0.473 nan 8.280 nan 0.000 0.508 1119 F N -0.731 119.104 119.950 -0.192 0.000 2.216 1119 F HA -0.162 4.365 4.527 0.000 0.000 0.300 1119 F C 2.537 178.271 175.800 -0.109 0.000 1.085 1119 F CA 0.557 58.496 58.000 -0.102 0.000 1.326 1119 F CB -0.054 38.933 39.000 -0.023 0.000 1.027 1119 F HN 0.087 nan 8.300 nan 0.000 0.497 1120 V N 0.256 120.156 119.914 -0.024 0.000 2.427 1120 V HA -0.287 3.833 4.120 0.000 0.000 0.248 1120 V C 1.668 177.701 176.094 -0.101 0.000 1.051 1120 V CA 1.955 64.224 62.300 -0.052 0.000 1.048 1120 V CB -0.773 30.949 31.823 -0.169 0.000 0.666 1120 V HN 0.377 nan 8.190 nan 0.000 0.456 1121 N N -0.301 118.252 118.700 -0.245 0.000 2.104 1121 N HA -0.191 4.549 4.740 0.000 0.000 0.190 1121 N C 1.836 177.211 175.510 -0.225 0.000 1.024 1121 N CA 1.832 54.616 53.050 -0.442 0.000 0.853 1121 N CB -0.201 37.624 38.487 -1.104 0.000 1.008 1121 N HN 0.418 nan 8.380 nan 0.000 0.424 1122 T N 0.573 115.025 114.554 -0.170 0.000 2.737 1122 T HA -0.089 4.261 4.350 0.000 0.000 0.265 1122 T C 2.058 176.718 174.700 -0.067 0.000 1.038 1122 T CA 1.189 63.258 62.100 -0.052 0.000 1.144 1122 T CB -0.334 68.477 68.868 -0.096 0.000 0.866 1122 T HN 0.331 nan 8.240 nan 0.000 0.434 1123 A N 1.902 124.691 122.820 -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 -0.630 119.761 120.400 -0.015 0.000 2.155 1124 K HA -0.140 4.180 4.320 0.000 0.000 0.203 1124 K C 2.146 178.725 176.600 -0.035 0.000 1.052 1124 K CA 1.448 57.716 56.287 -0.031 0.000 0.948 1124 K CB -0.238 32.216 32.500 -0.075 0.000 0.728 1124 K HN 0.766 nan 8.250 nan 0.000 0.448 1125 Q N -0.064 119.733 119.800 -0.005 0.000 2.187 1125 Q HA -0.077 4.263 4.340 0.000 0.000 0.199 1125 Q C 0.652 176.635 176.000 -0.028 0.000 0.957 1125 Q CA 1.308 57.114 55.803 0.005 0.000 0.857 1125 Q CB 0.241 29.032 28.738 0.090 0.000 0.929 1125 Q HN 0.442 nan 8.270 nan 0.000 0.453 1126 G N -0.619 108.157 108.800 -0.040 0.000 2.141 1126 G HA2 -0.163 3.797 3.960 0.000 0.000 0.231 1126 G HA3 -0.163 3.797 3.960 0.000 0.000 0.231 1126 G C -0.060 174.793 174.900 -0.079 0.000 0.984 1126 G CA 0.188 45.256 45.100 -0.055 0.000 0.660 1126 G HN 0.826 nan 8.290 nan 0.000 0.525 1127 A N -1.281 121.489 122.820 -0.083 0.000 2.586 1127 A HA 0.794 5.114 4.320 0.000 0.000 0.291 1127 A C -3.143 174.399 177.584 -0.069 0.000 1.062 1127 A CA -0.761 51.219 52.037 -0.095 0.000 0.666 1127 A CB 0.703 19.659 19.000 -0.074 0.000 1.281 1127 A HN 0.151 nan 8.150 nan 0.000 0.421 1128 P HA 0.118 nan 4.420 nan 0.000 0.258 1128 P C -0.349 177.011 177.300 0.100 0.000 1.172 1128 P CA 0.551 63.660 63.100 0.015 0.000 0.762 1128 P CB -0.158 31.552 31.700 0.018 0.000 0.764 1129 F N 5.763 125.715 119.950 0.002 0.000 2.604 1129 F HA -0.067 4.460 4.527 0.000 0.000 0.393 1129 F C 1.174 176.992 175.800 0.030 0.000 1.043 1129 F CA 0.380 58.392 58.000 0.019 0.000 1.227 1129 F CB -0.401 38.635 39.000 0.061 0.000 1.016 1129 F HN 0.274 nan 8.300 nan 0.000 0.556 1130 L N 3.589 124.440 121.223 -0.619 0.000 3.839 1130 L HA -0.323 4.017 4.340 0.000 0.000 0.416 1130 L C 0.624 177.339 176.870 -0.258 0.000 1.195 1130 L CA 0.557 55.051 54.840 -0.576 0.000 0.946 1130 L CB -2.342 39.222 42.059 -0.825 0.000 1.891 1130 L HN 0.734 nan 8.230 nan 0.000 0.963 1131 S N -1.833 113.780 115.700 -0.145 0.000 2.645 1131 S HA 0.531 5.001 4.470 0.000 0.000 0.266 1131 S C 0.317 174.866 174.600 -0.086 0.000 1.258 1131 S CA -0.028 58.126 58.200 -0.076 0.000 0.990 1131 S CB 2.193 65.374 63.200 -0.032 0.000 0.967 1131 S HN 0.278 nan 8.310 nan 0.000 0.556 1132 S N 1.544 117.211 115.700 -0.056 0.000 2.498 1132 S HA 0.403 4.873 4.470 0.000 0.000 0.324 1132 S C -0.358 174.219 174.600 -0.038 0.000 1.071 1132 S CA -0.836 57.335 58.200 -0.048 0.000 1.113 1132 S CB -0.042 63.142 63.200 -0.027 0.000 0.976 1132 S HN 0.786 nan 8.310 nan 0.000 0.462 1133 M N 5.974 125.544 119.600 -0.050 0.000 2.238 1133 M HA 0.382 4.862 4.480 0.000 0.000 0.347 1133 M C -1.087 175.193 176.300 -0.034 0.000 1.173 1133 M CA -0.227 55.045 55.300 -0.047 0.000 1.147 1133 M CB 0.636 33.198 32.600 -0.063 0.000 1.547 1133 M HN 0.424 nan 8.290 nan 0.000 0.455 1134 V N 4.651 124.550 119.914 -0.024 0.000 2.465 1134 V HA 0.502 4.622 4.120 0.000 0.000 0.279 1134 V C 0.424 176.507 176.094 -0.018 0.000 1.045 1134 V CA -0.242 62.050 62.300 -0.013 0.000 0.938 1134 V CB 1.069 32.888 31.823 -0.006 0.000 0.986 1134 V HN 1.022 nan 8.190 nan 0.000 0.467 1135 T N -0.233 114.315 114.554 -0.011 0.000 2.838 1135 T HA 0.346 4.696 4.350 0.000 0.000 0.292 1135 T C 0.261 174.964 174.700 0.004 0.000 1.113 1135 T CA -0.276 61.814 62.100 -0.015 0.000 1.008 1135 T CB 1.902 70.746 68.868 -0.040 0.000 1.259 1135 T HN 0.632 nan 8.240 nan 0.000 0.520 1136 D N -0.057 120.344 120.400 0.003 0.000 2.336 1136 D HA 0.073 4.713 4.640 0.000 0.000 0.229 1136 D C 0.658 176.975 176.300 0.028 0.000 1.061 1136 D CA -0.175 53.832 54.000 0.012 0.000 0.875 1136 D CB -0.381 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 1.783 117.509 115.700 0.043 0.000 2.544 1137 S HA 0.080 4.550 4.470 0.000 0.000 0.290 1137 S C -1.050 173.603 174.600 0.088 0.000 1.276 1137 S CA -0.929 57.323 58.200 0.085 0.000 1.075 1137 S CB 0.996 64.295 63.200 0.164 0.000 0.849 1137 S HN 0.100 nan 8.310 nan 0.000 0.494 1138 P HA 0.067 nan 4.420 nan 0.000 0.225 1138 P C 0.113 177.429 177.300 0.026 0.000 1.156 1138 P CA 0.322 63.444 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 1.320 177.377 176.117 -0.100 0.000 1.153 1139 I CA 0.274 61.541 61.300 -0.055 0.000 1.426 1139 I CB 0.181 38.139 38.000 -0.070 0.000 1.381 1139 I HN -0.270 nan 8.210 nan 0.000 0.571 1140 K N 6.644 126.938 120.400 -0.177 0.000 3.233 1140 K HA 0.083 4.403 4.320 0.000 0.000 0.283 1140 K C -0.706 175.803 176.600 -0.151 0.000 1.209 1140 K CA -0.004 56.209 56.287 -0.123 0.000 1.197 1140 K CB -0.566 31.881 32.500 -0.088 0.000 1.431 1140 K HN 0.389 nan 8.250 nan 0.000 0.326 1141 Y N 0.425 120.714 120.300 -0.019 0.000 2.296 1141 Y HA 0.304 4.854 4.550 0.000 0.000 0.343 1141 Y C 1.546 177.432 175.900 -0.023 0.000 1.292 1141 Y CA 0.573 58.658 58.100 -0.024 0.000 1.490 1141 Y CB 0.918 39.361 38.460 -0.028 0.000 1.359 1141 Y HN 0.449 nan 8.280 nan 0.000 0.599 1142 G N 0.162 109.055 108.800 0.155 0.000 2.332 1142 G HA2 -0.044 3.916 3.960 0.000 0.000 0.265 1142 G HA3 -0.044 3.916 3.960 0.000 0.000 0.265 1142 G C -1.791 173.132 174.900 0.039 0.000 1.329 1142 G CA -0.863 44.281 45.100 0.073 0.000 0.949 1142 G HN 0.525 nan 8.290 nan 0.000 0.476 1143 D N 0.520 120.933 120.400 0.022 0.000 2.508 1143 D HA 0.444 5.084 4.640 0.000 0.000 0.224 1143 D C 1.375 177.682 176.300 0.012 0.000 1.171 1143 D CA 0.097 54.104 54.000 0.012 0.000 1.006 1143 D CB 0.699 41.506 40.800 0.011 0.000 1.073 1143 D HN 0.245 nan 8.370 nan 0.000 0.513 1144 V N 2.852 122.771 119.914 0.009 0.000 2.575 1144 V HA -0.031 4.089 4.120 0.000 0.000 0.242 1144 V C 1.879 177.976 176.094 0.006 0.000 1.045 1144 V CA 0.783 63.086 62.300 0.004 0.000 1.065 1144 V CB -0.124 31.698 31.823 -0.002 0.000 0.717 1144 V HN 0.556 nan 8.190 nan 0.000 0.467 1145 M N -0.412 119.190 119.600 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 0.091 55.397 55.300 0.009 0.000 1.010 1145 M CB -0.653 31.944 32.600 -0.005 0.000 1.457 1145 M HN 0.387 nan 8.290 nan 0.000 0.486 1146 N N 1.149 119.862 118.700 0.022 0.000 2.699 1146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 1146 N C 1.021 176.569 175.510 0.063 0.000 0.993 1146 N CA 0.263 53.336 53.050 0.038 0.000 0.759 1146 N CB -1.231 37.284 38.487 0.047 0.000 0.906 1146 N HN 0.155 nan 8.380 nan 0.000 0.541 1147 V N -0.196 119.738 119.914 0.033 0.000 2.287 1147 V HA -0.109 4.011 4.120 0.000 0.000 0.248 1147 V C 1.409 177.601 176.094 0.163 0.000 1.053 1147 V CA 1.559 63.889 62.300 0.050 0.000 1.027 1147 V CB 0.021 31.762 31.823 -0.137 0.000 0.646 1147 V HN 0.410 nan 8.190 nan 0.000 0.447 1148 I N 0.426 121.046 120.570 0.084 0.000 2.410 1148 I HA 0.486 4.656 4.170 0.000 0.000 0.286 1148 I C -1.139 175.015 176.117 0.062 0.000 1.009 1148 I CA -0.304 61.056 61.300 0.101 0.000 1.111 1148 I CB 1.757 39.797 38.000 0.066 0.000 1.262 1148 I HN 0.223 nan 8.210 nan 0.000 0.443 1149 D N 5.445 125.887 120.400 0.069 0.000 2.717 1149 D HA 0.802 5.442 4.640 0.000 0.000 0.223 1149 D C -1.613 174.731 176.300 0.073 0.000 1.240 1149 D CA -0.303 53.734 54.000 0.062 0.000 0.801 1149 D CB 2.313 43.153 40.800 0.066 0.000 1.556 1149 D HN 0.681 nan 8.370 nan 0.000 0.462 1150 A N 2.623 125.488 122.820 0.075 0.000 2.555 1150 A HA 0.632 4.952 4.320 0.000 0.000 0.297 1150 A C -2.847 174.815 177.584 0.130 0.000 1.060 1150 A CA -1.206 50.900 52.037 0.114 0.000 0.710 1150 A CB 1.158 20.208 19.000 0.084 0.000 1.282 1150 A HN 0.432 nan 8.150 nan 0.000 0.399 1151 P HA 0.339 nan 4.420 nan 0.000 0.268 1151 P C 1.073 178.504 177.300 0.218 0.000 1.204 1151 P CA 0.531 63.730 63.100 0.165 0.000 0.768 1151 P CB 1.119 32.903 31.700 0.139 0.000 0.842 1152 A N 3.030 125.933 122.820 0.138 0.000 1.978 1152 A HA -0.021 4.299 4.320 0.000 0.000 0.220 1152 A C 1.006 178.708 177.584 0.196 0.000 1.170 1152 A CA 1.995 54.107 52.037 0.124 0.000 0.636 1152 A CB -0.904 18.140 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 -0.873 173.849 174.700 0.038 0.000 1.158 1153 T CA -0.621 61.567 62.100 0.147 0.000 1.007 1153 T CB 1.493 70.402 68.868 0.068 0.000 1.186 1153 T HN 0.167 nan 8.240 nan 0.000 0.499 1154 I N 1.731 122.245 120.570 -0.093 0.000 2.439 1154 I HA 0.571 4.741 4.170 0.000 0.000 0.283 1154 I C 0.614 176.651 176.117 -0.133 0.000 1.023 1154 I CA -1.106 60.085 61.300 -0.182 0.000 1.100 1154 I CB 1.446 39.200 38.000 -0.409 0.000 1.238 1154 I HN 1.034 nan 8.210 nan 0.000 0.445 1155 A N 4.728 127.499 122.820 -0.082 0.000 2.346 1155 A HA 0.703 5.023 4.320 0.000 0.000 0.252 1155 A C 0.644 178.189 177.584 -0.066 0.000 1.089 1155 A CA -0.269 51.732 52.037 -0.060 0.000 0.797 1155 A CB 0.440 19.419 19.000 -0.035 0.000 1.047 1155 A HN 0.838 nan 8.150 nan 0.000 0.494 1156 A N -0.016 122.780 122.820 -0.039 0.000 2.566 1156 A HA 0.451 4.771 4.320 0.000 0.000 0.245 1156 A C 1.624 179.193 177.584 -0.025 0.000 1.056 1156 A CA 0.963 52.994 52.037 -0.011 0.000 0.757 1156 A CB -1.117 17.909 19.000 0.042 0.000 0.979 1156 A HN 2.752 nan 8.150 nan 0.000 0.508 1157 G N 0.886 109.663 108.800 -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 0.570 45.643 45.100 -0.045 0.000 0.632 1157 G HN 2.181 nan 8.290 nan 0.000 0.529 1158 A N -0.478 122.301 122.820 -0.068 0.000 2.264 1158 A HA 0.845 5.165 4.320 0.000 0.000 0.304 1158 A C 0.259 177.788 177.584 -0.092 0.000 1.100 1158 A CA 0.686 52.681 52.037 -0.070 0.000 0.839 1158 A CB 1.050 20.011 19.000 -0.066 0.000 1.121 1158 A HN 0.710 nan 8.150 nan 0.000 0.496 1159 T N 0.540 115.050 114.554 -0.073 0.000 2.812 1159 T HA 0.611 4.961 4.350 0.000 0.000 0.282 1159 T C 0.154 174.820 174.700 -0.058 0.000 0.990 1159 T CA 0.056 62.112 62.100 -0.074 0.000 0.960 1159 T CB 1.499 70.339 68.868 -0.047 0.000 0.948 1159 T HN 1.045 nan 8.240 nan 0.000 0.438 1160 G N 1.905 110.662 108.800 -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 -0.884 174.032 174.900 0.027 0.000 1.143 1160 G CA -0.576 44.510 45.100 -0.024 0.000 0.914 1160 G HN 0.497 nan 8.290 nan 0.000 0.480 1161 E N 0.621 120.853 120.200 0.053 0.000 2.158 1161 E HA 0.481 4.831 4.350 0.000 0.000 0.271 1161 E C -0.912 175.748 176.600 0.100 0.000 0.911 1161 E CA -0.517 55.925 56.400 0.070 0.000 0.767 1161 E CB 2.386 32.116 29.700 0.050 0.000 1.120 1161 E HN 0.134 nan 8.360 nan 0.000 0.405 1162 L N 1.396 122.692 121.223 0.121 0.000 2.341 1162 L HA 0.539 4.879 4.340 0.000 0.000 0.267 1162 L C 0.048 176.982 176.870 0.108 0.000 1.009 1162 L CA -0.470 54.450 54.840 0.133 0.000 0.819 1162 L CB 2.107 44.277 42.059 0.185 0.000 1.323 1162 L HN 0.330 nan 8.230 nan 0.000 0.425 1163 T N 2.222 116.834 114.554 0.097 0.000 2.921 1163 T HA 0.735 5.085 4.350 0.000 0.000 0.297 1163 T C -1.093 173.652 174.700 0.076 0.000 1.013 1163 T CA -0.364 61.785 62.100 0.081 0.000 0.990 1163 T CB 1.640 70.575 68.868 0.113 0.000 1.023 1163 T HN 0.439 nan 8.240 nan 0.000 0.447 1164 M N 3.170 122.783 119.600 0.022 0.000 2.501 1164 M HA 0.685 5.165 4.480 0.000 0.000 0.293 1164 M C -2.374 173.879 176.300 -0.078 0.000 1.192 1164 M CA -0.760 54.530 55.300 -0.017 0.000 0.886 1164 M CB 1.696 34.262 32.600 -0.056 0.000 1.710 1164 M HN 0.619 nan 8.290 nan 0.000 0.457 1165 Y N 2.712 122.980 120.300 -0.053 0.000 2.462 1165 Y HA 0.705 5.255 4.550 0.000 0.000 0.346 1165 Y C -1.530 174.415 175.900 0.074 0.000 0.976 1165 Y CA -0.329 57.852 58.100 0.136 0.000 1.044 1165 Y CB 2.061 40.656 38.460 0.225 0.000 1.230 1165 Y HN 0.623 nan 8.280 nan 0.000 0.455 1166 Y N 1.208 121.802 120.300 0.491 0.000 2.477 1166 Y HA 0.285 4.835 4.550 0.000 0.000 0.347 1166 Y C -1.019 175.099 175.900 0.363 0.000 0.981 1166 Y CA -1.554 56.728 58.100 0.302 0.000 1.033 1166 Y CB 2.039 40.564 38.460 0.108 0.000 1.245 1166 Y HN 0.644 nan 8.280 nan 0.000 0.455 1167 W N 4.994 126.378 121.300 0.139 0.000 2.361 1167 W HA 0.666 5.326 4.660 0.000 0.000 0.314 1167 W C -1.905 174.638 176.519 0.040 0.000 1.041 1167 W CA -1.021 56.397 57.345 0.121 0.000 1.241 1167 W CB 1.454 30.943 29.460 0.050 0.000 1.279 1167 W HN 0.310 nan 8.180 nan 0.000 0.436 1168 V N 9.390 129.017 119.914 -0.478 0.000 2.334 1168 V HA 0.192 4.312 4.120 0.000 0.000 0.267 1168 V C -1.590 174.011 176.094 -0.822 0.000 1.040 1168 V CA -1.525 60.507 62.300 -0.447 0.000 0.866 1168 V CB 0.948 32.639 31.823 -0.221 0.000 1.019 1168 V HN 0.356 nan 8.190 nan 0.000 0.468 1169 P HA 0.395 nan 4.420 nan 0.000 0.286 1169 P C 0.033 177.230 177.300 -0.171 0.000 1.261 1169 P CA -0.313 62.622 63.100 -0.275 0.000 0.821 1169 P CB 2.534 34.395 31.700 0.268 0.000 1.013 1170 L N 1.302 122.466 121.223 -0.099 0.000 2.675 1170 L HA 0.323 4.663 4.340 0.000 0.000 0.178 1170 L C 1.362 178.361 176.870 0.215 0.000 1.135 1170 L CA 0.100 54.900 54.840 -0.067 0.000 0.855 1170 L CB -0.780 41.104 42.059 -0.291 0.000 1.235 1170 L HN 0.325 nan 8.230 nan 0.000 0.499 1171 A N -0.905 122.011 122.820 0.159 0.000 2.445 1171 A HA -0.015 4.305 4.320 0.000 0.000 0.242 1171 A C 0.525 178.262 177.584 0.255 0.000 1.075 1171 A CA 0.028 52.181 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 2.253 122.541 120.300 -0.019 0.000 2.181 1172 Y HA -0.023 4.527 4.550 0.000 0.000 0.288 1172 Y C 1.277 177.131 175.900 -0.077 0.000 1.146 1172 Y CA 1.789 59.707 58.100 -0.303 0.000 1.164 1172 Y CB 0.021 38.324 38.460 -0.261 0.000 0.982 1172 Y HN 0.878 nan 8.280 nan 0.000 0.515 1173 S N -2.420 113.257 115.700 -0.038 0.000 2.790 1173 S HA 0.269 4.739 4.470 0.000 0.000 0.292 1173 S C 0.349 174.932 174.600 -0.028 0.000 1.197 1173 S CA -0.622 57.513 58.200 -0.108 0.000 0.851 1173 S CB 1.081 64.202 63.200 -0.131 0.000 1.217 1173 S HN 0.082 nan 8.310 nan 0.000 0.526 1174 E N 1.098 121.252 120.200 -0.076 0.000 2.274 1174 E HA 0.002 4.352 4.350 0.000 0.000 0.194 1174 E C 1.694 178.268 176.600 -0.044 0.000 0.996 1174 E CA 1.818 58.175 56.400 -0.072 0.000 0.840 1174 E CB -0.322 29.307 29.700 -0.119 0.000 0.772 1174 E HN 0.847 nan 8.360 nan 0.000 0.491 1175 T N -2.431 112.108 114.554 -0.024 0.000 3.001 1175 T HA 0.057 4.407 4.350 0.000 0.000 0.251 1175 T C 0.445 175.154 174.700 0.014 0.000 1.040 1175 T CA -0.305 61.789 62.100 -0.011 0.000 0.985 1175 T CB 0.439 69.299 68.868 -0.013 0.000 1.011 1175 T HN -0.208 nan 8.240 nan 0.000 0.509 1176 D N 1.196 121.627 120.400 0.051 0.000 2.453 1176 D HA 0.310 4.950 4.640 0.000 0.000 0.238 1176 D C 0.620 176.957 176.300 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 0.216 nan 8.370 nan 0.000 0.533 1177 L N 2.507 123.739 121.223 0.014 0.000 2.645 1177 L HA 0.087 4.427 4.340 0.000 0.000 0.235 1177 L C 0.771 177.640 176.870 -0.002 0.000 1.150 1177 L CA 0.154 55.004 54.840 0.016 0.000 0.911 1177 L CB -0.342 41.718 42.059 0.001 0.000 1.077 1177 L HN 0.254 nan 8.230 nan 0.000 0.438 1178 T N 0.855 115.374 114.554 -0.059 0.000 2.871 1178 T HA 0.226 4.576 4.350 0.000 0.000 0.296 1178 T C 1.260 175.952 174.700 -0.014 0.000 0.998 1178 T CA 1.056 63.051 62.100 -0.174 0.000 1.162 1178 T CB 0.848 69.400 68.868 -0.527 0.000 0.947 1178 T HN 0.632 nan 8.240 nan 0.000 0.536 1179 G N 2.050 110.870 108.800 0.034 0.000 2.195 1179 G HA2 -0.094 3.866 3.960 0.000 0.000 0.246 1179 G HA3 -0.094 3.866 3.960 0.000 0.000 0.246 1179 G C 0.364 175.377 174.900 0.189 0.000 0.984 1179 G CA -0.029 45.192 45.100 0.202 0.000 0.633 1179 G HN 1.159 nan 8.290 nan 0.000 0.525 1180 A N -0.477 122.407 122.820 0.106 0.000 2.386 1180 A HA 0.648 4.968 4.320 0.000 0.000 0.246 1180 A C 0.405 178.031 177.584 0.070 0.000 1.089 1180 A CA 0.752 52.825 52.037 0.060 0.000 0.790 1180 A CB 0.870 19.892 19.000 0.037 0.000 1.042 1180 A HN 1.196 nan 8.150 nan 0.000 0.497 1181 V N 1.873 121.805 119.914 0.030 0.000 2.448 1181 V HA 0.289 4.409 4.120 0.000 0.000 0.295 1181 V C -0.477 175.648 176.094 0.052 0.000 1.025 1181 V CA -0.510 61.827 62.300 0.063 0.000 0.859 1181 V CB 1.345 33.203 31.823 0.059 0.000 0.988 1181 V HN 0.768 nan 8.190 nan 0.000 0.431 1182 L N 5.176 126.437 121.223 0.064 0.000 2.325 1182 L HA 0.590 4.930 4.340 0.000 0.000 0.284 1182 L C 0.865 177.770 176.870 0.058 0.000 1.089 1182 L CA 0.698 55.567 54.840 0.048 0.000 0.836 1182 L CB 0.991 43.083 42.059 0.055 0.000 1.184 1182 L HN 0.748 nan 8.230 nan 0.000 0.444 1183 A N 2.620 125.464 122.820 0.040 0.000 2.469 1183 A HA 0.246 4.566 4.320 0.000 0.000 0.245 1183 A C 1.546 179.147 177.584 0.028 0.000 1.221 1183 A CA 0.482 52.543 52.037 0.039 0.000 0.946 1183 A CB -0.806 18.214 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 0.341 5.081 4.740 0.000 0.000 0.181 1184 N C 1.299 176.856 175.510 0.079 0.000 1.046 1184 N CA 1.074 54.159 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 0.782 nan 8.380 nan 0.000 0.444 1185 V N 0.317 120.278 119.914 0.080 0.000 4.119 1185 V HA 0.229 4.349 4.120 0.000 0.000 0.286 1185 V C -1.142 174.984 176.094 0.053 0.000 0.996 1185 V CA -0.513 61.832 62.300 0.076 0.000 1.027 1185 V CB -1.135 30.733 31.823 0.074 0.000 1.193 1185 V HN 0.306 nan 8.190 nan 0.000 0.454 1186 P HA 0.188 nan 4.420 nan 0.000 0.274 1186 P C 0.737 178.052 177.300 0.025 0.000 1.209 1186 P CA 1.460 64.579 63.100 0.032 0.000 0.790 1186 P CB 0.079 31.796 31.700 0.029 0.000 0.834 1187 Q N 0.961 120.771 119.800 0.017 0.000 2.369 1187 Q HA -0.041 4.299 4.340 0.000 0.000 0.206 1187 Q C 1.252 177.256 176.000 0.006 0.000 0.963 1187 Q CA 1.301 57.111 55.803 0.011 0.000 0.894 1187 Q CB -0.881 27.862 28.738 0.007 0.000 0.965 1187 Q HN 0.514 nan 8.270 nan 0.000 0.475 1188 S N 1.299 117.003 115.700 0.006 0.000 2.702 1188 S HA 0.112 4.582 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 0.179 58.378 58.200 -0.003 0.000 1.058 1188 S CB 0.011 63.212 63.200 0.002 0.000 0.783 1188 S HN 0.723 nan 8.310 nan 0.000 0.503 1189 K N 4.341 124.728 120.400 -0.021 0.000 2.202 1189 K HA 0.282 4.602 4.320 0.000 0.000 0.264 1189 K C -0.069 176.503 176.600 -0.046 0.000 1.010 1189 K CA -0.607 55.664 56.287 -0.027 0.000 0.940 1189 K CB 0.543 33.020 32.500 -0.038 0.000 0.983 1189 K HN 0.634 nan 8.250 nan 0.000 0.475 1190 Q N 1.086 120.865 119.800 -0.035 0.000 2.212 1190 Q HA 0.326 4.666 4.340 0.000 0.000 0.238 1190 Q C -0.773 175.145 176.000 -0.137 0.000 0.955 1190 Q CA -0.727 55.023 55.803 -0.088 0.000 0.906 1190 Q CB 1.531 30.298 28.738 0.049 0.000 1.215 1190 Q HN 0.461 nan 8.270 nan 0.000 0.478 1191 R N 1.218 121.570 120.500 -0.246 0.000 2.483 1191 R HA 0.380 4.720 4.340 0.000 0.000 0.303 1191 R C -1.627 174.557 176.300 -0.193 0.000 0.987 1191 R CA -0.736 55.258 56.100 -0.176 0.000 0.881 1191 R CB 1.192 31.405 30.300 -0.146 0.000 1.177 1191 R HN 0.330 nan 8.270 nan 0.000 0.451 1192 L N 3.785 124.904 121.223 -0.173 0.000 2.301 1192 L HA 0.391 4.731 4.340 0.000 0.000 0.278 1192 L C -0.867 175.904 176.870 -0.165 0.000 1.022 1192 L CA -0.256 54.468 54.840 -0.193 0.000 0.854 1192 L CB 0.811 42.607 42.059 -0.438 0.000 1.226 1192 L HN 0.398 nan 8.230 nan 0.000 0.429 1193 K N 6.144 126.476 120.400 -0.114 0.000 2.201 1193 K HA 0.598 4.918 4.320 0.000 0.000 0.278 1193 K C -1.220 175.258 176.600 -0.204 0.000 1.027 1193 K CA -0.408 55.809 56.287 -0.117 0.000 0.909 1193 K CB 1.344 33.818 32.500 -0.043 0.000 1.062 1193 K HN 0.542 nan 8.250 nan 0.000 0.465 1194 L N 2.470 123.547 121.223 -0.244 0.000 2.381 1194 L HA 0.359 4.699 4.340 0.000 0.000 0.274 1194 L C -0.433 176.201 176.870 -0.393 0.000 0.988 1194 L CA -0.622 53.955 54.840 -0.439 0.000 0.824 1194 L CB 1.936 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 3.207 123.155 120.200 -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 -0.298 0.000 0.900 1195 E CA -0.609 55.650 56.400 -0.235 0.000 0.755 1195 E CB 1.031 30.648 29.700 -0.139 0.000 1.117 1195 E HN 0.300 nan 8.360 nan 0.000 0.410 1196 F N 1.900 121.863 119.950 0.021 0.000 2.370 1196 F HA 0.463 4.990 4.527 0.000 0.000 0.319 1196 F C 1.076 176.903 175.800 0.046 0.000 1.129 1196 F CA -0.547 57.491 58.000 0.063 0.000 1.109 1196 F CB 0.831 39.963 39.000 0.219 0.000 1.262 1196 F HN 0.507 nan 8.300 nan 0.000 0.534 1197 A N 1.648 124.614 122.820 0.244 0.000 2.448 1197 A HA 0.397 4.717 4.320 0.000 0.000 0.239 1197 A C -0.261 177.381 177.584 0.097 0.000 1.080 1197 A CA -0.168 51.971 52.037 0.170 0.000 0.779 1197 A CB -0.195 18.955 19.000 0.249 0.000 1.026 1197 A HN 0.892 nan 8.150 nan 0.000 0.499 1198 N N -0.711 118.101 118.700 0.188 0.000 3.102 1198 N HA 0.255 4.995 4.740 0.000 0.000 0.299 1198 N C -0.118 175.641 175.510 0.414 0.000 1.482 1198 N CA -0.822 52.367 53.050 0.231 0.000 0.785 1198 N CB 0.350 38.946 38.487 0.182 0.000 1.680 1198 N HN 0.298 nan 8.380 nan 0.000 0.594 1199 N N -0.566 118.401 118.700 0.445 0.000 2.520 1199 N HA -0.037 4.703 4.740 0.000 0.000 0.185 1199 N C -0.027 175.694 175.510 0.352 0.000 1.068 1199 N CA 0.670 54.023 53.050 0.504 0.000 0.911 1199 N CB -0.535 38.202 38.487 0.417 0.000 0.961 1199 N HN 0.579 nan 8.380 nan 0.000 0.446 1200 N N -1.030 117.807 118.700 0.229 0.000 2.388 1200 N HA -0.025 4.715 4.740 0.000 0.000 0.176 1200 N C 1.502 177.082 175.510 0.117 0.000 1.062 1200 N CA 0.799 53.949 53.050 0.166 0.000 0.895 1200 N CB 0.390 38.955 38.487 0.130 0.000 1.018 1200 N HN 0.244 nan 8.380 nan 0.000 0.456 1201 T N -2.851 111.755 114.554 0.088 0.000 3.000 1201 T HA 0.311 4.661 4.350 0.000 0.000 0.248 1201 T C 1.847 176.512 174.700 -0.058 0.000 1.034 1201 T CA 0.158 62.285 62.100 0.045 0.000 1.060 1201 T CB 0.100 69.014 68.868 0.077 0.000 0.983 1201 T HN 0.039 nan 8.240 nan 0.000 0.482 1202 A N 0.805 123.480 122.820 -0.242 0.000 2.066 1202 A HA 0.410 4.730 4.320 0.000 0.000 0.218 1202 A C 0.287 177.365 177.584 -0.843 0.000 1.157 1202 A CA 0.171 51.828 52.037 -0.632 0.000 0.670 1202 A CB -0.624 17.775 19.000 -1.002 0.000 0.804 1202 A HN 0.600 nan 8.150 nan 0.000 0.453 1203 F N -0.842 119.167 119.950 0.098 0.000 2.477 1203 F HA 0.649 5.176 4.527 0.000 0.000 0.335 1203 F C 0.222 176.056 175.800 0.057 0.000 1.130 1203 F CA -0.810 57.232 58.000 0.069 0.000 0.948 1203 F CB 1.746 40.765 39.000 0.032 0.000 1.154 1203 F HN 0.050 nan 8.300 nan 0.000 0.439 1204 A N 2.208 125.139 122.820 0.185 0.000 2.318 1204 A HA 0.854 5.174 4.320 0.000 0.000 0.324 1204 A C -0.216 177.425 177.584 0.096 0.000 1.170 1204 A CA -0.636 51.467 52.037 0.109 0.000 0.810 1204 A CB 0.682 19.714 19.000 0.053 0.000 1.198 1204 A HN 0.943 nan 8.150 nan 0.000 0.484 1205 A N 1.796 124.661 122.820 0.076 0.000 2.366 1205 A HA 0.525 4.845 4.320 0.000 0.000 0.249 1205 A C 0.431 178.034 177.584 0.032 0.000 1.084 1205 A CA -0.293 51.773 52.037 0.049 0.000 0.794 1205 A CB -0.008 19.019 19.000 0.045 0.000 1.034 1205 A HN 1.216 nan 8.150 nan 0.000 0.491 1206 V N 1.379 121.303 119.914 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 1.856 64.161 62.300 0.009 0.000 1.161 1206 V CB 0.014 31.836 31.823 -0.002 0.000 0.916 1206 V HN 1.981 nan 8.190 nan 0.000 0.490 1207 G N 3.138 111.943 108.800 0.009 0.000 2.225 1207 G HA2 -0.127 3.833 3.960 0.000 0.000 0.254 1207 G HA3 -0.127 3.833 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 0.288 45.391 45.100 0.006 0.000 0.625 1207 G HN 1.524 nan 8.290 nan 0.000 0.527 1208 A N -0.231 122.600 122.820 0.019 0.000 2.264 1208 A HA 0.673 4.993 4.320 0.000 0.000 0.304 1208 A C 0.472 178.074 177.584 0.029 0.000 1.100 1208 A CA 0.022 52.074 52.037 0.026 0.000 0.839 1208 A CB 0.451 19.473 19.000 0.037 0.000 1.121 1208 A HN 0.492 nan 8.150 nan 0.000 0.496 1209 N N 1.169 119.891 118.700 0.036 0.000 2.452 1209 N HA 0.136 4.876 4.740 0.000 0.000 0.266 1209 N C -1.771 173.763 175.510 0.040 0.000 1.209 1209 N CA -1.282 51.805 53.050 0.061 0.000 0.929 1209 N CB 1.006 39.532 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 -0.135 62.899 63.100 -0.111 0.000 0.833 1210 P CB 0.471 32.086 31.700 -0.141 0.000 1.231 1211 L N 1.560 122.634 121.223 -0.249 0.000 2.010 1211 L HA -0.188 4.152 4.340 0.000 0.000 0.219 1211 L C 1.739 178.405 176.870 -0.339 0.000 1.077 1211 L CA 2.208 56.772 54.840 -0.460 0.000 0.773 1211 L CB -0.890 41.142 42.059 -0.046 0.000 0.892 1211 L HN -0.119 nan 8.230 nan 0.000 0.436 1212 E N -0.007 120.155 120.200 -0.064 0.000 2.474 1212 E HA 0.287 4.637 4.350 0.000 0.000 0.195 1212 E C 0.688 177.309 176.600 0.036 0.000 1.039 1212 E CA 0.574 57.021 56.400 0.077 0.000 0.881 1212 E CB -0.067 29.717 29.700 0.139 0.000 0.970 1212 E HN 0.577 nan 8.360 nan 0.000 0.486 1213 A N 0.749 123.539 122.820 -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 -0.445 51.556 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 0.046 nan 8.150 nan 0.000 0.493 1214 I N -1.567 118.948 120.570 -0.091 0.000 3.039 1214 I HA 0.119 4.289 4.170 0.000 0.000 0.270 1214 I C -0.351 175.580 176.117 -0.310 0.000 1.150 1214 I CA 0.658 61.873 61.300 -0.142 0.000 1.448 1214 I CB -0.013 37.964 38.000 -0.039 0.000 1.197 1214 I HN 0.585 nan 8.210 nan 0.000 0.450 1215 Y N 0.347 120.667 120.300 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 -0.737 57.418 58.100 0.092 0.000 1.044 1215 Y CB 1.762 40.329 38.460 0.179 0.000 1.245 1215 Y HN -0.061 nan 8.280 nan 0.000 0.461 1216 Q N 1.302 121.225 119.800 0.206 0.000 2.359 1216 Q HA 0.771 5.111 4.340 0.000 0.000 0.274 1216 Q C -0.979 175.078 176.000 0.094 0.000 1.074 1216 Q CA -0.641 55.234 55.803 0.120 0.000 0.810 1216 Q CB 2.692 31.456 28.738 0.044 0.000 1.342 1216 Q HN 0.969 nan 8.270 nan 0.000 0.427 1217 G N 0.341 109.172 108.800 0.053 0.000 2.336 1217 G HA2 0.351 4.311 3.960 0.000 0.000 0.300 1217 G HA3 0.351 4.311 3.960 0.000 0.000 0.300 1217 G C -0.207 174.667 174.900 -0.044 0.000 1.375 1217 G CA -0.129 44.974 45.100 0.004 0.000 0.885 1217 G HN 0.739 nan 8.290 nan 0.000 0.599 1218 A N -0.838 121.926 122.820 -0.093 0.000 2.024 1218 A HA 0.292 4.612 4.320 0.000 0.000 0.220 1218 A C 2.279 179.672 177.584 -0.319 0.000 1.164 1218 A CA 2.802 54.743 52.037 -0.159 0.000 0.643 1218 A CB -0.492 18.411 19.000 -0.163 0.000 0.806 1218 A HN 2.032 nan 8.150 nan 0.000 0.451 1219 G N -1.701 106.885 108.800 -0.356 0.000 3.189 1219 G HA2 0.348 4.308 3.960 0.000 0.000 0.225 1219 G HA3 0.348 4.308 3.960 0.000 0.000 0.225 1219 G C 1.267 176.073 174.900 -0.156 0.000 1.159 1219 G CA 0.865 45.688 45.100 -0.461 0.000 0.763 1219 G HN 0.626 nan 8.290 nan 0.000 0.549 1220 A N 1.456 124.223 122.820 -0.087 0.000 1.892 1220 A HA 0.102 4.422 4.320 0.000 0.000 0.218 1220 A C 2.772 180.346 177.584 -0.016 0.000 1.188 1220 A CA 2.237 54.264 52.037 -0.017 0.000 0.631 1220 A CB -0.738 18.315 19.000 0.088 0.000 0.822 1220 A HN 0.807 nan 8.150 nan 0.000 0.447 1221 A N -0.653 122.185 122.820 0.030 0.000 2.032 1221 A HA -0.174 4.146 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 1.809 53.876 52.037 0.050 0.000 0.645 1221 A CB -0.357 18.685 19.000 0.071 0.000 0.807 1221 A HN 0.489 nan 8.150 nan 0.000 0.453 1222 D N -1.239 119.159 120.400 -0.003 0.000 2.424 1222 D HA 0.200 4.840 4.640 0.000 0.000 0.220 1222 D C -0.366 175.818 176.300 -0.193 0.000 1.150 1222 D CA -0.045 53.924 54.000 -0.052 0.000 0.831 1222 D CB -0.094 40.714 40.800 0.013 0.000 0.981 1222 D HN 0.291 nan 8.370 nan 0.000 0.500 1223 C N 1.541 120.602 119.300 -0.398 0.000 2.398 1223 C HA 0.572 5.032 4.460 0.000 0.000 0.364 1223 C C 0.530 175.009 174.990 -0.851 0.000 1.219 1223 C CA -0.507 58.033 59.018 -0.797 0.000 2.312 1223 C CB 0.876 27.760 27.740 -1.427 0.000 2.428 1223 C HN 0.400 nan 8.230 nan 0.000 0.564 1224 E N 0.603 120.396 120.200 -0.678 0.000 2.407 1224 E HA 0.458 4.808 4.350 0.000 0.000 0.279 1224 E C -1.734 174.819 176.600 -0.080 0.000 1.012 1224 E CA -0.686 55.588 56.400 -0.210 0.000 0.800 1224 E CB 0.626 30.302 29.700 -0.039 0.000 1.276 1224 E HN 0.401 nan 8.360 nan 0.000 0.452 1225 F N 1.456 121.524 119.950 0.197 0.000 2.427 1225 F HA 0.157 4.684 4.527 0.000 0.000 0.352 1225 F C 1.779 177.601 175.800 0.036 0.000 1.100 1225 F CA 0.042 58.125 58.000 0.139 0.000 1.191 1225 F CB 1.444 40.517 39.000 0.121 0.000 1.128 1225 F HN 0.764 nan 8.300 nan 0.000 0.533 1226 E N 2.424 122.733 120.200 0.183 0.000 2.076 1226 E HA -0.046 4.304 4.350 0.000 0.000 0.190 1226 E C -0.242 176.394 176.600 0.061 0.000 0.979 1226 E CA 0.885 57.335 56.400 0.083 0.000 0.807 1226 E CB 0.367 30.090 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 0.351 4.701 4.350 0.000 0.000 0.280 1227 E C -1.304 175.163 176.600 -0.223 0.000 1.122 1227 E CA -0.688 55.640 56.400 -0.120 0.000 0.873 1227 E CB 0.544 30.165 29.700 -0.132 0.000 1.294 1227 E HN 0.044 nan 8.360 nan 0.000 0.435 1228 I N 0.955 121.158 120.570 -0.612 0.000 2.647 1228 I HA 0.565 4.735 4.170 0.000 0.000 0.295 1228 I C -0.895 174.795 176.117 -0.711 0.000 1.078 1228 I CA -0.945 59.929 61.300 -0.709 0.000 1.048 1228 I CB 2.218 39.533 38.000 -1.142 0.000 1.239 1228 I HN 0.562 nan 8.210 nan 0.000 0.421 1229 S N 4.156 119.634 115.700 -0.369 0.000 2.549 1229 S HA 0.782 5.252 4.470 0.000 0.000 0.280 1229 S C -1.592 172.946 174.600 -0.103 0.000 1.109 1229 S CA -0.435 57.609 58.200 -0.260 0.000 0.905 1229 S CB 1.447 64.534 63.200 -0.188 0.000 1.081 1229 S HN 0.484 nan 8.310 nan 0.000 0.477 1230 Y N -0.180 120.037 120.300 -0.140 0.000 2.562 1230 Y HA 0.829 5.379 4.550 0.000 0.000 0.345 1230 Y C -0.869 175.005 175.900 -0.044 0.000 1.045 1230 Y CA -0.840 57.237 58.100 -0.038 0.000 1.028 1230 Y CB 1.412 39.918 38.460 0.077 0.000 1.297 1230 Y HN 0.436 nan 8.280 nan 0.000 0.463 1231 T N 2.886 117.553 114.554 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 61.469 62.100 0.038 0.000 0.989 1231 T CB 1.526 70.358 68.868 -0.061 0.000 1.005 1231 T HN 0.625 nan 8.240 nan 0.000 0.442 1232 V N 4.067 124.037 119.914 0.093 0.000 2.398 1232 V HA 0.488 4.608 4.120 0.000 0.000 0.286 1232 V C -1.146 174.982 176.094 0.055 0.000 1.026 1232 V CA -0.767 61.629 62.300 0.161 0.000 0.868 1232 V CB 0.905 32.824 31.823 0.160 0.000 0.982 1232 V HN 0.818 nan 8.190 nan 0.000 0.443 1233 Y N 2.981 123.462 120.300 0.303 0.000 2.352 1233 Y HA 0.500 5.050 4.550 0.000 0.000 0.339 1233 Y C 0.298 176.395 175.900 0.328 0.000 0.992 1233 Y CA -0.329 57.947 58.100 0.292 0.000 1.100 1233 Y CB 1.728 40.357 38.460 0.282 0.000 1.192 1233 Y HN 0.565 nan 8.280 nan 0.000 0.458 1234 Q N 2.165 122.232 119.800 0.445 0.000 2.271 1234 Q HA 0.443 4.783 4.340 0.000 0.000 0.258 1234 Q C -0.888 175.280 176.000 0.279 0.000 0.936 1234 Q CA -0.574 55.408 55.803 0.298 0.000 0.909 1234 Q CB 1.327 30.269 28.738 0.340 0.000 1.253 1234 Q HN 0.653 nan 8.270 nan 0.000 0.440 1235 S N 4.386 120.154 115.700 0.114 0.000 2.433 1235 S HA 0.621 5.090 4.470 0.000 0.000 0.310 1235 S C -1.368 173.313 174.600 0.136 0.000 1.097 1235 S CA -0.378 57.914 58.200 0.153 0.000 1.103 1235 S CB 0.225 63.622 63.200 0.328 0.000 0.992 1235 S HN 0.572 nan 8.310 nan 0.000 0.469 1236 Y N 2.087 122.387 120.300 -0.000 0.000 2.689 1236 Y HA 0.727 5.277 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 0.884 39.330 38.460 -0.023 0.000 1.294 1236 Y HN 0.414 nan 8.280 nan 0.000 0.466 1237 L N 2.405 123.708 121.223 0.132 0.000 2.313 1237 L HA 0.477 4.817 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 -0.569 54.294 54.840 0.038 0.000 0.816 1237 L CB 1.435 43.499 42.059 0.008 0.000 1.236 1237 L HN 0.688 nan 8.230 nan 0.000 0.419 1238 D N 1.815 122.288 120.400 0.122 0.000 2.449 1238 D HA 0.237 4.877 4.640 0.000 0.000 0.250 1238 D C -0.340 176.022 176.300 0.103 0.000 1.050 1238 D CA -0.016 54.091 54.000 0.179 0.000 1.024 1238 D CB 1.429 42.371 40.800 0.237 0.000 1.218 1238 D HN 0.362 nan 8.370 nan 0.000 0.566 1239 Q N 0.162 120.015 119.800 0.089 0.000 2.470 1239 Q HA -0.172 4.168 4.340 0.000 0.000 0.294 1239 Q C -0.482 175.535 176.000 0.028 0.000 1.356 1239 Q CA 0.363 56.208 55.803 0.069 0.000 0.805 1239 Q CB -1.843 26.944 28.738 0.083 0.000 1.157 1239 Q HN 0.471 nan 8.270 nan 0.000 0.431 1240 L N 2.014 123.206 121.223 -0.052 0.000 2.490 1240 L HA 0.120 4.460 4.340 0.000 0.000 0.274 1240 L C -1.054 175.790 176.870 -0.043 0.000 1.201 1240 L CA -1.097 53.652 54.840 -0.153 0.000 0.869 1240 L CB -0.203 41.557 42.059 -0.497 0.000 1.123 1240 L HN 0.009 nan 8.230 nan 0.000 0.484 1241 P HA 0.138 nan 4.420 nan 0.000 0.271 1241 P C -0.822 176.573 177.300 0.158 0.000 1.216 1241 P CA -0.177 62.965 63.100 0.069 0.000 0.771 1241 P CB 1.384 33.109 31.700 0.042 0.000 0.864 1242 V N 2.449 122.467 119.914 0.174 0.000 2.667 1242 V HA 0.759 4.879 4.120 0.000 0.000 0.308 1242 V C 0.903 177.058 176.094 0.101 0.000 1.048 1242 V CA -0.151 62.263 62.300 0.191 0.000 0.928 1242 V CB 1.707 33.626 31.823 0.160 0.000 1.004 1242 V HN 0.902 nan 8.190 nan 0.000 0.444 1243 G N 1.172 110.020 108.800 0.080 0.000 3.247 1243 G HA2 0.557 4.517 3.960 0.000 0.000 0.226 1243 G HA3 0.557 4.517 3.960 0.000 0.000 0.226 1243 G C 0.545 175.463 174.900 0.029 0.000 1.220 1243 G CA 0.571 45.700 45.100 0.049 0.000 0.875 1243 G HN 0.745 nan 8.290 nan 0.000 0.606 1244 Q N -1.447 118.366 119.800 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 2.962 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 1.336 nan 8.270 nan 0.000 0.421 1245 N N -0.091 118.615 118.700 0.010 0.000 2.519 1245 N HA 0.372 5.112 4.740 0.000 0.000 0.186 1245 N C 1.464 176.970 175.510 -0.007 0.000 1.062 1245 N CA 1.780 54.832 53.050 0.003 0.000 0.910 1245 N CB -0.137 38.357 38.487 0.012 0.000 0.958 1245 N HN 1.580 nan 8.380 nan 0.000 0.445 1246 G N -1.875 106.925 108.800 0.001 0.000 2.250 1246 G HA2 0.020 3.980 3.960 0.000 0.000 0.196 1246 G HA3 0.020 3.980 3.960 0.000 0.000 0.196 1246 G C -0.807 174.139 174.900 0.076 0.000 1.308 1246 G CA -0.416 44.667 45.100 -0.029 0.000 1.207 1246 G HN 0.454 nan 8.290 nan 0.000 0.505 1247 Y N 0.914 121.225 120.300 0.018 0.000 2.805 1247 Y HA 0.222 4.772 4.550 0.000 0.000 0.331 1247 Y C 1.340 177.251 175.900 0.018 0.000 1.241 1247 Y CA -0.085 58.028 58.100 0.021 0.000 1.546 1247 Y CB 0.198 38.673 38.460 0.024 0.000 1.248 1247 Y HN 0.238 nan 8.280 nan 0.000 0.559 1248 I N 6.726 127.407 120.570 0.184 0.000 2.308 1248 I HA 0.124 4.294 4.170 0.000 0.000 0.293 1248 I C -0.476 175.675 176.117 0.057 0.000 1.078 1248 I CA 0.261 61.617 61.300 0.092 0.000 1.292 1248 I CB 0.058 38.095 38.000 0.063 0.000 1.423 1248 I HN 0.366 nan 8.210 nan 0.000 0.493 1249 L N 8.625 129.880 121.223 0.054 0.000 2.401 1249 L HA 0.509 4.849 4.340 0.000 0.000 0.266 1249 L C -2.420 174.460 176.870 0.017 0.000 0.991 1249 L CA -1.878 52.979 54.840 0.028 0.000 0.818 1249 L CB 2.527 44.613 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 0.651 177.947 177.300 -0.007 0.000 1.428 1250 P CA -0.232 62.863 63.100 -0.009 0.000 0.995 1250 P CB 0.651 32.338 31.700 -0.020 0.000 1.286 1251 L N 2.685 123.908 121.223 -0.001 0.000 2.131 1251 L HA -0.157 4.183 4.340 0.000 0.000 0.210 1251 L C 2.373 179.236 176.870 -0.012 0.000 1.092 1251 L CA 1.315 56.157 54.840 0.003 0.000 0.759 1251 L CB -0.525 41.539 42.059 0.009 0.000 0.903 1251 L HN 0.278 nan 8.230 nan 0.000 0.435 1252 I N -0.425 120.127 120.570 -0.031 0.000 2.233 1252 I HA -0.232 3.938 4.170 0.000 0.000 0.243 1252 I C 2.111 178.182 176.117 -0.076 0.000 1.093 1252 I CA 1.011 62.278 61.300 -0.055 0.000 1.380 1252 I CB -0.421 37.535 38.000 -0.072 0.000 1.067 1252 I HN 0.201 nan 8.210 nan 0.000 0.413 1253 D N 1.335 121.689 120.400 -0.077 0.000 2.106 1253 D HA -0.176 4.464 4.640 0.000 0.000 0.191 1253 D C 2.194 178.469 176.300 -0.041 0.000 0.997 1253 D CA 1.473 55.421 54.000 -0.087 0.000 0.834 1253 D CB -0.394 40.370 40.800 -0.060 0.000 0.956 1253 D HN 0.277 nan 8.370 nan 0.000 0.448 1254 L N 0.408 121.626 121.223 -0.009 0.000 2.465 1254 L HA -0.015 4.325 4.340 0.000 0.000 0.224 1254 L C 1.707 178.600 176.870 0.038 0.000 1.145 1254 L CA 0.732 55.589 54.840 0.028 0.000 0.834 1254 L CB -0.238 41.841 42.059 0.033 0.000 0.944 1254 L HN 0.034 nan 8.230 nan 0.000 0.451 1255 S N -3.020 112.687 115.700 0.011 0.000 2.568 1255 S HA 0.152 4.622 4.470 0.000 0.000 0.232 1255 S C 0.564 175.160 174.600 -0.006 0.000 0.975 1255 S CA -0.536 57.672 58.200 0.014 0.000 0.949 1255 S CB 0.082 63.287 63.200 0.008 0.000 0.829 1255 S HN 0.111 nan 8.310 nan 0.000 0.479 1256 T N 2.753 117.292 114.554 -0.025 0.000 2.855 1256 T HA 0.602 4.952 4.350 0.000 0.000 0.281 1256 T C -0.604 174.090 174.700 -0.009 0.000 1.007 1256 T CA -0.615 61.452 62.100 -0.055 0.000 1.009 1256 T CB 1.405 70.169 68.868 -0.174 0.000 0.983 1256 T HN 0.240 nan 8.240 nan 0.000 0.455 1257 L N 2.950 124.168 121.223 -0.009 0.000 2.295 1257 L HA 0.505 4.845 4.340 0.000 0.000 0.285 1257 L C -1.024 175.934 176.870 0.147 0.000 1.035 1257 L CA -1.129 53.687 54.840 -0.039 0.000 0.806 1257 L CB 0.870 42.786 42.059 -0.238 0.000 1.214 1257 L HN 0.628 nan 8.230 nan 0.000 0.426 1258 Y N 4.065 124.419 120.300 0.090 0.000 2.388 1258 Y HA 0.488 5.038 4.550 0.000 0.000 0.328 1258 Y C -0.930 174.924 175.900 -0.077 0.000 0.963 1258 Y CA -1.141 57.060 58.100 0.168 0.000 1.240 1258 Y CB 0.647 39.339 38.460 0.385 0.000 1.118 1258 Y HN 0.531 nan 8.280 nan 0.000 0.484 1259 N N 5.853 124.107 118.700 -0.743 0.000 2.312 1259 N HA 0.573 5.313 4.740 0.000 0.000 0.296 1259 N C -1.520 173.473 175.510 -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 -0.822 0.000 1.435 1259 N HN 0.566 nan 8.380 nan 0.000 0.484 1260 L N 0.491 121.419 121.223 -0.492 0.000 2.346 1260 L HA 0.585 4.925 4.340 0.000 0.000 0.276 1260 L C 0.017 176.883 176.870 -0.007 0.000 1.006 1260 L CA -0.546 54.181 54.840 -0.189 0.000 0.817 1260 L CB 1.715 43.650 42.059 -0.207 0.000 1.272 1260 L HN 0.379 nan 8.230 nan 0.000 0.421 1261 E N 2.080 122.413 120.200 0.221 0.000 2.390 1261 E HA 0.344 4.694 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 -0.820 55.711 56.400 0.218 0.000 0.769 1261 E CB 3.090 33.002 29.700 0.354 0.000 1.251 1261 E HN 0.670 nan 8.360 nan 0.000 0.450 1262 N N -0.011 118.722 118.700 0.055 0.000 2.453 1262 N HA 0.566 5.306 4.740 0.000 0.000 0.290 1262 N C -1.087 174.460 175.510 0.063 0.000 1.250 1262 N CA -0.609 52.401 53.050 -0.066 0.000 0.815 1262 N CB 1.854 40.203 38.487 -0.230 0.000 1.381 1262 N HN 0.472 nan 8.380 nan 0.000 0.510 1263 S N -1.986 113.751 115.700 0.062 0.000 2.615 1263 S HA 0.864 5.334 4.470 0.000 0.000 0.269 1263 S C -1.657 173.009 174.600 0.110 0.000 1.161 1263 S CA -0.898 57.370 58.200 0.114 0.000 0.817 1263 S CB 1.098 64.407 63.200 0.182 0.000 1.131 1263 S HN 1.092 nan 8.310 nan 0.000 0.467 1264 A N 0.862 123.755 122.820 0.122 0.000 2.414 1264 A HA 0.840 5.160 4.320 0.000 0.000 0.306 1264 A C -1.162 176.509 177.584 0.144 0.000 1.054 1264 A CA -0.683 51.437 52.037 0.138 0.000 0.724 1264 A CB 1.609 20.691 19.000 0.136 0.000 1.267 1264 A HN 0.689 nan 8.150 nan 0.000 0.418 1265 Q N 0.098 120.008 119.800 0.183 0.000 2.372 1265 Q HA 0.725 5.065 4.340 0.000 0.000 0.273 1265 Q C -0.701 175.468 176.000 0.281 0.000 1.078 1265 Q CA -0.598 55.360 55.803 0.259 0.000 0.806 1265 Q CB 2.517 31.456 28.738 0.334 0.000 1.332 1265 Q HN 1.085 nan 8.270 nan 0.000 0.435 1266 A N -0.429 122.562 122.820 0.285 0.000 2.486 1266 A HA 0.909 5.229 4.320 0.000 0.000 0.289 1266 A C 0.209 177.909 177.584 0.193 0.000 1.176 1266 A CA -0.138 51.968 52.037 0.115 0.000 0.757 1266 A CB 1.612 20.651 19.000 0.064 0.000 1.337 1266 A HN 1.004 nan 8.150 nan 0.000 0.423 1267 G N -0.910 107.888 108.800 -0.002 0.000 2.155 1267 G HA2 0.015 3.975 3.960 0.000 0.000 0.135 1267 G HA3 0.015 3.975 3.960 0.000 0.000 0.135 1267 G C -0.402 174.480 174.900 -0.029 0.000 1.023 1267 G CA -0.081 45.077 45.100 0.096 0.000 0.688 1267 G HN 0.779 nan 8.290 nan 0.000 0.499 1268 L N 1.376 122.357 121.223 -0.403 0.000 2.397 1268 L HA 0.685 5.025 4.340 0.000 0.000 0.271 1268 L C 0.584 177.357 176.870 -0.163 0.000 1.148 1268 L CA 0.290 54.856 54.840 -0.457 0.000 0.825 1268 L CB 1.451 43.115 42.059 -0.658 0.000 1.117 1268 L HN 0.162 nan 8.230 nan 0.000 0.456 1269 T N 2.409 116.903 114.554 -0.099 0.000 2.916 1269 T HA 0.372 4.722 4.350 0.000 0.000 0.298 1269 T C -2.636 172.029 174.700 -0.057 0.000 1.031 1269 T CA -1.389 60.680 62.100 -0.051 0.000 0.993 1269 T CB 1.920 70.779 68.868 -0.014 0.000 1.045 1269 T HN 0.214 nan 8.240 nan 0.000 0.454 1270 P HA 0.054 nan 4.420 nan 0.000 0.261 1270 P C 0.363 177.635 177.300 -0.047 0.000 1.173 1270 P CA 0.439 63.512 63.100 -0.044 0.000 0.760 1270 P CB 0.146 31.830 31.700 -0.026 0.000 0.783 1271 N N -0.905 117.753 118.700 -0.069 0.000 2.753 1271 N HA -0.144 4.596 4.740 0.000 0.000 0.251 1271 N C -0.606 174.869 175.510 -0.058 0.000 1.097 1271 N CA 0.755 53.766 53.050 -0.066 0.000 0.786 1271 N CB -1.651 36.819 38.487 -0.027 0.000 1.137 1271 N HN 0.187 nan 8.380 nan 0.000 0.566 1272 V N 0.924 120.799 119.914 -0.065 0.000 2.555 1272 V HA 0.233 4.353 4.120 0.000 0.000 0.302 1272 V C 0.093 176.158 176.094 -0.048 0.000 1.038 1272 V CA -0.847 61.434 62.300 -0.033 0.000 0.887 1272 V CB 2.159 33.980 31.823 -0.003 0.000 0.991 1272 V HN -0.053 nan 8.190 nan 0.000 0.434 1273 D N 3.314 123.697 120.400 -0.029 0.000 2.434 1273 D HA 0.127 4.767 4.640 0.000 0.000 0.252 1273 D C -0.572 175.743 176.300 0.026 0.000 1.185 1273 D CA 0.495 54.474 54.000 -0.035 0.000 0.886 1273 D CB 0.419 41.221 40.800 0.004 0.000 1.148 1273 D HN 0.342 nan 8.370 nan 0.000 0.483 1274 F N 3.597 123.452 119.950 -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 -0.807 57.118 58.000 -0.125 0.000 1.090 1274 F CB 0.813 39.710 39.000 -0.171 0.000 1.150 1274 F HN -0.000 nan 8.300 nan 0.000 0.472 1275 V N 6.970 126.613 119.914 -0.452 0.000 2.384 1275 V HA 0.395 4.515 4.120 0.000 0.000 0.287 1275 V C -0.568 175.272 176.094 -0.423 0.000 1.020 1275 V CA -0.892 61.217 62.300 -0.320 0.000 0.850 1275 V CB 1.415 33.127 31.823 -0.184 0.000 0.987 1275 V HN 0.493 nan 8.190 nan 0.000 0.436 1276 V N 5.470 125.234 119.914 -0.251 0.000 2.328 1276 V HA 0.317 4.437 4.120 0.000 0.000 0.278 1276 V C 0.229 176.187 176.094 -0.227 0.000 1.021 1276 V CA -0.591 61.574 62.300 -0.226 0.000 0.838 1276 V CB 1.082 32.838 31.823 -0.112 0.000 0.999 1276 V HN 0.925 nan 8.190 nan 0.000 0.447 1277 Q N 3.217 122.894 119.800 -0.205 0.000 2.352 1277 Q HA 0.343 4.683 4.340 0.000 0.000 0.260 1277 Q C -1.143 174.609 176.000 -0.413 0.000 0.976 1277 Q CA -0.019 55.651 55.803 -0.222 0.000 0.881 1277 Q CB 0.977 29.641 28.738 -0.122 0.000 1.235 1277 Q HN 0.655 nan 8.270 nan 0.000 0.419 1278 Y N 0.204 120.249 120.300 -0.426 0.000 2.320 1278 Y HA 0.403 4.953 4.550 0.000 0.000 0.324 1278 Y C 0.481 175.938 175.900 -0.739 0.000 1.190 1278 Y CA -0.567 57.150 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 2.410 124.958 122.820 -0.454 0.000 2.272 1279 A HA 0.399 4.719 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 -0.728 50.874 52.037 -0.725 0.000 0.822 1279 A CB 0.057 18.819 19.000 -0.397 0.000 1.088 1279 A HN 0.876 nan 8.150 nan 0.000 0.495 1280 N N -1.429 117.104 118.700 -0.279 0.000 2.447 1280 N HA 0.480 5.221 4.740 0.000 0.000 0.271 1280 N C 0.201 175.605 175.510 -0.176 0.000 1.226 1280 N CA -0.023 52.913 53.050 -0.190 0.000 0.980 1280 N CB 1.041 39.448 38.487 -0.133 0.000 1.206 1280 N HN 1.417 nan 8.380 nan 0.000 0.558 1281 L N -3.357 117.812 121.223 -0.090 0.000 3.121 1281 L HA -0.220 4.120 4.340 0.000 0.000 0.404 1281 L C -1.049 176.102 176.870 0.468 0.000 0.695 1281 L CA 1.596 56.541 54.840 0.176 0.000 3.096 1281 L CB -1.766 40.338 42.059 0.074 0.000 0.683 1281 L HN 0.745 nan 8.230 nan 0.000 0.743 1282 Y N 1.910 122.222 120.300 0.021 0.000 2.309 1282 Y HA 0.481 5.031 4.550 0.000 0.000 0.327 1282 Y C 0.803 176.709 175.900 0.010 0.000 1.172 1282 Y CA -0.920 57.054 58.100 -0.209 0.000 1.280 1282 Y CB 0.502 38.361 38.460 -1.000 0.000 1.234 1282 Y HN 0.070 nan 8.280 nan 0.000 0.512 1283 R N 3.860 124.456 120.500 0.160 0.000 2.280 1283 R HA 0.201 4.541 4.340 0.000 0.000 0.326 1283 R C -1.695 174.667 176.300 0.103 0.000 1.080 1283 R CA -0.643 55.550 56.100 0.154 0.000 1.002 1283 R CB 0.272 30.599 30.300 0.044 0.000 1.136 1283 R HN 0.578 nan 8.270 nan 0.000 0.509 1284 Y N 2.956 123.360 120.300 0.173 0.000 2.531 1284 Y HA 0.034 4.584 4.550 0.000 0.000 0.347 1284 Y C 1.561 177.521 175.900 0.099 0.000 1.024 1284 Y CA -0.189 58.026 58.100 0.193 0.000 1.306 1284 Y CB 0.611 39.194 38.460 0.206 0.000 1.149 1284 Y HN 0.440 nan 8.280 nan 0.000 0.527 1285 L N 1.911 123.253 121.223 0.199 0.000 2.162 1285 L HA 0.029 4.369 4.340 0.000 0.000 0.205 1285 L C 0.768 177.748 176.870 0.184 0.000 1.086 1285 L CA 0.623 55.522 54.840 0.098 0.000 0.778 1285 L CB -0.126 41.912 42.059 -0.034 0.000 0.928 1285 L HN 0.623 nan 8.230 nan 0.000 0.446 1286 S N -1.963 113.906 115.700 0.283 0.000 2.570 1286 S HA 0.602 5.072 4.470 0.000 0.000 0.270 1286 S C -0.614 174.173 174.600 0.311 0.000 1.149 1286 S CA -0.683 57.654 58.200 0.230 0.000 0.837 1286 S CB 2.381 65.768 63.200 0.313 0.000 1.124 1286 S HN -0.071 nan 8.310 nan 0.000 0.465 1287 T N 1.981 116.629 114.554 0.157 0.000 2.886 1287 T HA 0.613 4.963 4.350 0.000 0.000 0.292 1287 T C -0.934 173.736 174.700 -0.050 0.000 1.012 1287 T CA -0.421 61.719 62.100 0.066 0.000 0.982 1287 T CB 0.884 69.830 68.868 0.130 0.000 1.018 1287 T HN 0.660 nan 8.240 nan 0.000 0.451 1288 I N 2.273 122.744 120.570 -0.165 0.000 2.465 1288 I HA 0.709 4.879 4.170 0.000 0.000 0.291 1288 I C -0.380 175.594 176.117 -0.238 0.000 1.014 1288 I CA -0.979 60.279 61.300 -0.069 0.000 1.093 1288 I CB 1.752 39.815 38.000 0.105 0.000 1.267 1288 I HN 0.727 nan 8.210 nan 0.000 0.431 1289 A N 6.371 129.113 122.820 -0.130 0.000 2.335 1289 A HA 0.745 5.065 4.320 0.000 0.000 0.304 1289 A C -1.097 176.591 177.584 0.174 0.000 1.118 1289 A CA -0.472 51.505 52.037 -0.099 0.000 0.757 1289 A CB 1.377 20.208 19.000 -0.282 0.000 1.188 1289 A HN 0.394 nan 8.150 nan 0.000 0.460 1290 V N 3.309 123.353 119.914 0.217 0.000 2.370 1290 V HA 0.317 4.437 4.120 0.000 0.000 0.283 1290 V C -0.659 175.651 176.094 0.361 0.000 1.023 1290 V CA -0.389 62.086 62.300 0.291 0.000 0.857 1290 V CB 1.206 33.168 31.823 0.231 0.000 0.985 1290 V HN 0.778 nan 8.190 nan 0.000 0.443 1291 F N 5.323 125.390 119.950 0.196 0.000 2.406 1291 F HA 0.368 4.895 4.527 0.000 0.000 0.358 1291 F C 0.438 176.141 175.800 -0.161 0.000 1.161 1291 F CA -1.854 56.174 58.000 0.045 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 4.133 124.533 120.400 -0.001 0.000 2.435 1292 D HA -0.026 4.614 4.640 0.000 0.000 0.230 1292 D C -0.070 175.906 176.300 -0.541 0.000 1.215 1292 D CA 0.088 53.772 54.000 -0.527 0.000 0.947 1292 D CB -0.312 40.428 40.800 -0.101 0.000 1.048 1292 D HN 0.256 nan 8.370 nan 0.000 0.512 1293 N N 2.865 120.991 118.700 -0.957 0.000 3.178 1293 N HA 0.198 4.938 4.740 0.000 0.000 0.300 1293 N C 0.742 175.956 175.510 -0.492 0.000 1.242 1293 N CA 0.454 52.995 53.050 -0.848 0.000 1.192 1293 N CB -0.463 37.328 38.487 -1.160 0.000 1.463 1293 N HN 0.617 nan 8.380 nan 0.000 0.539 1294 G N 0.789 109.397 108.800 -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 0.512 45.490 45.100 -0.203 0.000 0.922 1294 G HN 1.086 nan 8.290 nan 0.000 0.503 1295 G N -2.338 106.296 108.800 -0.277 0.000 2.195 1295 G HA2 -0.053 3.907 3.960 0.000 0.000 0.246 1295 G HA3 -0.053 3.907 3.960 0.000 0.000 0.246 1295 G C 0.461 175.239 174.900 -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 0.115 115.563 115.700 -0.420 0.000 2.489 1296 S HA 0.769 5.239 4.470 0.000 0.000 0.291 1296 S C -0.820 173.388 174.600 -0.653 0.000 1.151 1296 S CA -0.334 57.667 58.200 -0.331 0.000 1.082 1296 S CB 0.928 63.968 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 0.467 176.207 175.800 -0.100 0.000 1.125 1297 F CA -0.853 57.055 58.000 -0.152 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 1.424 120.123 118.700 -0.001 0.000 2.430 1298 N HA 0.513 5.253 4.740 0.000 0.000 0.298 1298 N C -0.486 175.092 175.510 0.113 0.000 1.130 1298 N CA -0.705 52.365 53.050 0.034 0.000 0.894 1298 N CB 2.197 40.669 38.487 -0.025 0.000 1.209 1298 N HN 0.563 nan 8.380 nan 0.000 0.503 1299 A N 0.524 123.408 122.820 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 0.279 52.396 52.037 0.134 0.000 1.413 1299 A CB -1.394 17.663 19.000 0.096 0.000 1.112 1299 A HN 0.906 nan 8.150 nan 0.000 0.606 1300 G N 1.124 110.097 108.800 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 1.275 176.262 174.900 0.145 0.000 0.984 1300 G CA 1.609 46.871 45.100 0.269 0.000 0.626 1300 G HN 1.495 nan 8.290 nan 0.000 0.540 1301 T N -0.746 113.874 114.554 0.110 0.000 3.007 1301 T HA 0.062 4.412 4.350 0.000 0.000 0.270 1301 T C 1.505 176.236 174.700 0.051 0.000 1.107 1301 T CA 1.791 63.931 62.100 0.067 0.000 1.118 1301 T CB -0.194 68.702 68.868 0.046 0.000 0.889 1301 T HN 0.604 nan 8.240 nan 0.000 0.506 1302 D N 0.413 120.855 120.400 0.070 0.000 2.368 1302 D HA 0.227 4.867 4.640 0.000 0.000 0.218 1302 D C 0.215 176.598 176.300 0.139 0.000 1.112 1302 D CA -0.469 53.579 54.000 0.080 0.000 0.834 1302 D CB -0.273 40.537 40.800 0.016 0.000 0.953 1302 D HN 0.470 nan 8.370 nan 0.000 0.505 1303 I N 0.431 121.039 120.570 0.064 0.000 2.545 1303 I HA 0.222 4.392 4.170 0.000 0.000 0.292 1303 I C 0.643 176.710 176.117 -0.083 0.000 1.040 1303 I CA -0.881 60.384 61.300 -0.058 0.000 1.068 1303 I CB 2.123 40.023 38.000 -0.166 0.000 1.251 1303 I HN -0.271 nan 8.210 nan 0.000 0.424 1304 N N 3.697 122.299 118.700 -0.162 0.000 2.197 1304 N HA 0.013 4.753 4.740 0.000 0.000 0.184 1304 N C -0.591 174.923 175.510 0.006 0.000 1.030 1304 N CA 1.372 54.370 53.050 -0.087 0.000 0.851 1304 N CB 0.285 38.678 38.487 -0.157 0.000 1.003 1304 N HN 0.633 nan 8.380 nan 0.000 0.430 1305 Y N -1.938 118.280 120.300 -0.137 0.000 2.713 1305 Y HA 0.630 5.180 4.550 0.000 0.000 0.335 1305 Y C -1.784 173.933 175.900 -0.305 0.000 1.222 1305 Y CA -1.429 56.571 58.100 -0.166 0.000 1.061 1305 Y CB 0.474 38.880 38.460 -0.091 0.000 1.314 1305 Y HN -0.276 nan 8.280 nan 0.000 0.453 1306 L N 1.691 122.829 121.223 -0.141 0.000 2.333 1306 L HA 0.929 5.269 4.340 0.000 0.000 0.263 1306 L C -0.096 176.633 176.870 -0.236 0.000 1.014 1306 L CA -0.543 53.968 54.840 -0.548 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 -0.175 115.300 115.700 -0.374 0.000 2.636 1307 S HA 0.574 5.044 4.470 0.000 0.000 0.266 1307 S C -2.102 172.391 174.600 -0.179 0.000 1.147 1307 S CA -0.630 57.548 58.200 -0.037 0.000 0.815 1307 S CB 1.535 64.748 63.200 0.022 0.000 1.119 1307 S HN 0.577 nan 8.310 nan 0.000 0.470 1308 Q N 1.131 120.939 119.800 0.014 0.000 2.321 1308 Q HA 0.541 4.881 4.340 0.000 0.000 0.270 1308 Q C -1.014 175.007 176.000 0.034 0.000 1.032 1308 Q CA -0.597 55.239 55.803 0.054 0.000 0.784 1308 Q CB 2.352 31.174 28.738 0.141 0.000 1.264 1308 Q HN 0.558 nan 8.270 nan 0.000 0.448 1309 R N 1.021 121.543 120.500 0.036 0.000 2.686 1309 R HA 0.548 4.888 4.340 0.000 0.000 0.283 1309 R C -1.188 175.121 176.300 0.015 0.000 0.978 1309 R CA -0.339 55.770 56.100 0.015 0.000 0.897 1309 R CB 1.735 32.036 30.300 0.001 0.000 1.192 1309 R HN 0.699 nan 8.270 nan 0.000 0.457 1310 T N 0.759 115.314 114.554 0.000 0.000 2.794 1310 T HA 0.594 4.944 4.350 0.000 0.000 0.280 1310 T C 0.243 174.937 174.700 -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 -0.013 0.000 0.939 1310 T HN 0.694 nan 8.240 nan 0.000 0.449 1311 A N 2.508 125.321 122.820 -0.010 0.000 2.566 1311 A HA 0.455 4.775 4.320 0.000 0.000 0.245 1311 A C 1.462 179.040 177.584 -0.011 0.000 1.056 1311 A CA 0.567 52.597 52.037 -0.010 0.000 0.757 1311 A CB -1.950 17.043 19.000 -0.010 0.000 0.979 1311 A HN 2.487 nan 8.150 nan 0.000 0.508 1312 N N -1.033 117.661 118.700 -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 2.086 55.130 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 -1.945 117.999 119.950 -0.011 0.000 3.281 1313 F HA 0.753 5.280 4.527 0.000 0.000 0.339 1313 F C 1.330 177.122 175.800 -0.014 0.000 1.275 1313 F CA 1.314 59.306 58.000 -0.012 0.000 0.843 1313 F CB -0.831 38.162 39.000 -0.011 0.000 1.717 1313 F HN 1.987 nan 8.300 nan 0.000 0.480 1314 S N 0.175 115.866 115.700 -0.015 0.000 3.160 1314 S HA -0.201 4.269 4.470 0.000 0.000 0.634 1314 S C -0.365 174.224 174.600 -0.017 0.000 2.861 1314 S CA 1.516 59.705 58.200 -0.019 0.000 3.097 1314 S CB -1.140 62.045 63.200 -0.025 0.000 0.331 1314 S HN 1.121 nan 8.310 nan 0.000 1.767 1315 D N 0.777 121.161 120.400 -0.026 0.000 2.302 1315 D HA 0.462 5.102 4.640 0.000 0.000 0.248 1315 D C 1.216 177.507 176.300 -0.016 0.000 1.094 1315 D CA 0.405 54.392 54.000 -0.021 0.000 0.897 1315 D CB 1.049 41.826 40.800 -0.039 0.000 1.200 1315 D HN 0.639 nan 8.370 nan 0.000 0.429 1316 T N -1.219 113.333 114.554 -0.003 0.000 3.044 1316 T HA 0.045 4.395 4.350 0.000 0.000 0.250 1316 T C 0.691 175.390 174.700 -0.001 0.000 1.081 1316 T CA -0.363 61.734 62.100 -0.005 0.000 1.040 1316 T CB -0.057 68.809 68.868 -0.004 0.000 0.962 1316 T HN 0.596 nan 8.240 nan 0.000 0.506 1317 R N 0.283 120.795 120.500 0.020 0.000 2.747 1317 R HA 0.304 4.644 4.340 0.000 0.000 0.200 1317 R C -0.950 175.421 176.300 0.117 0.000 1.438 1317 R CA -0.652 55.472 56.100 0.041 0.000 1.334 1317 R CB -0.334 29.966 30.300 0.000 0.000 1.523 1317 R HN 0.084 nan 8.270 nan 0.000 0.741 1318 K N 3.013 123.437 120.400 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 -0.176 56.109 56.287 -0.003 0.000 0.922 1318 K CB 0.520 32.906 32.500 -0.189 0.000 1.057 1318 K HN 0.453 nan 8.250 nan 0.000 0.479 1319 L N 3.327 124.658 121.223 0.180 0.000 2.388 1319 L HA 0.339 4.679 4.340 0.000 0.000 0.264 1319 L C -0.423 176.580 176.870 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 0.330 0.000 1.338 1319 L HN 0.745 nan 8.230 nan 0.000 0.414 1320 D N 0.528 121.031 120.400 0.171 0.000 2.368 1320 D HA 0.134 4.774 4.640 0.000 0.000 0.240 1320 D C -2.110 174.303 176.300 0.188 0.000 1.169 1320 D CA -1.148 52.946 54.000 0.157 0.000 0.906 1320 D CB 0.620 41.492 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 1.002 178.473 177.300 0.286 0.000 1.153 1321 P CA 1.533 64.737 63.100 0.173 0.000 0.858 1321 P CB 0.110 31.880 31.700 0.118 0.000 0.789 1322 K N -1.200 119.328 120.400 0.214 0.000 2.097 1322 K HA -0.053 4.267 4.320 0.000 0.000 0.205 1322 K C 1.953 178.677 176.600 0.208 0.000 1.050 1322 K CA 1.600 58.007 56.287 0.200 0.000 0.938 1322 K CB -0.702 31.881 32.500 0.138 0.000 0.718 1322 K HN 0.157 nan 8.250 nan 0.000 0.442 1323 T N 0.519 115.192 114.554 0.200 0.000 2.904 1323 T HA -0.149 4.201 4.350 0.000 0.000 0.267 1323 T C 1.178 176.011 174.700 0.222 0.000 1.059 1323 T CA 0.646 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 2.153 123.523 121.300 0.117 0.000 2.381 1324 W HA -0.062 4.598 4.660 0.000 0.000 0.301 1324 W C 2.445 179.083 176.519 0.198 0.000 1.205 1324 W CA 1.217 58.651 57.345 0.150 0.000 1.285 1324 W CB -0.565 28.992 29.460 0.161 0.000 1.133 1324 W HN 0.288 nan 8.180 nan 0.000 0.521 1325 A N 0.883 123.997 122.820 0.490 0.000 1.972 1325 A HA -0.058 4.262 4.320 0.000 0.000 0.219 1325 A C 2.178 179.883 177.584 0.201 0.000 1.169 1325 A CA 2.468 54.727 52.037 0.369 0.000 0.635 1325 A CB -1.195 17.997 19.000 0.319 0.000 0.810 1325 A HN 0.287 nan 8.150 nan 0.000 0.446 1326 A N -0.739 122.173 122.820 0.153 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 1.691 53.781 52.037 0.088 0.000 0.623 1326 A CB -0.461 18.584 19.000 0.073 0.000 0.818 1326 A HN 0.509 nan 8.150 nan 0.000 0.443 1327 Q N -0.442 119.366 119.800 0.014 0.000 2.084 1327 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 1327 Q C 2.116 178.132 176.000 0.027 0.000 0.978 1327 Q CA 2.014 57.795 55.803 -0.036 0.000 0.844 1327 Q CB -1.326 27.304 28.738 -0.178 0.000 0.898 1327 Q HN 0.636 nan 8.270 nan 0.000 0.426 1328 T N 1.250 115.858 114.554 0.090 0.000 2.821 1328 T HA -0.074 4.276 4.350 0.000 0.000 0.267 1328 T C 1.819 176.582 174.700 0.105 0.000 1.046 1328 T CA 0.823 63.049 62.100 0.210 0.000 1.139 1328 T CB -0.063 69.026 68.868 0.368 0.000 0.871 1328 T HN 0.268 nan 8.240 nan 0.000 0.454 1329 R N 0.726 121.267 120.500 0.069 0.000 2.159 1329 R HA 0.015 4.355 4.340 0.000 0.000 0.237 1329 R C 2.445 178.749 176.300 0.006 0.000 1.131 1329 R CA 0.797 56.908 56.100 0.018 0.000 0.982 1329 R CB -0.085 30.231 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 1.850 178.163 176.300 0.023 0.000 1.059 1330 R CA 0.694 56.805 56.100 0.017 0.000 0.997 1330 R CB 0.032 30.343 30.300 0.019 0.000 0.884 1330 R HN 0.170 nan 8.270 nan 0.000 0.462 1331 R N 0.449 120.976 120.500 0.045 0.000 2.146 1331 R HA 0.152 4.492 4.340 0.000 0.000 0.206 1331 R C 2.030 178.313 176.300 -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 0.188 0.000 0.949 1331 R HN 0.313 nan 8.270 nan 0.000 0.471 1332 I N -3.938 116.576 120.570 -0.094 0.000 4.050 1332 I HA 0.479 4.649 4.170 0.000 0.000 0.327 1332 I C 0.484 176.506 176.117 -0.158 0.000 1.473 1332 I CA 0.098 61.287 61.300 -0.185 0.000 1.124 1332 I CB 0.891 38.647 38.000 -0.406 0.000 1.129 1332 I HN -0.036 nan 8.210 nan 0.000 0.428 1333 A N 0.255 123.016 122.820 -0.098 0.000 2.861 1333 A HA -0.215 4.105 4.320 0.000 0.000 0.261 1333 A C 0.644 178.178 177.584 -0.083 0.000 1.351 1333 A CA 1.684 53.675 52.037 -0.076 0.000 0.904 1333 A CB -2.304 16.654 19.000 -0.070 0.000 1.076 1333 A HN 0.815 nan 8.150 nan 0.000 0.729 1334 T N -1.869 112.617 114.554 -0.114 0.000 2.654 1334 T HA 0.493 4.843 4.350 0.000 0.000 0.303 1334 T C -2.143 172.477 174.700 -0.133 0.000 1.656 1334 T CA 0.135 62.171 62.100 -0.106 0.000 0.971 1334 T CB 0.928 69.725 68.868 -0.119 0.000 1.811 1334 T HN 0.284 nan 8.240 nan 0.000 0.483 1335 D N 0.611 120.952 120.400 -0.097 0.000 2.181 1335 D HA 0.517 5.157 4.640 0.000 0.000 0.248 1335 D C -0.249 175.967 176.300 -0.139 0.000 1.020 1335 D CA -0.113 53.852 54.000 -0.058 0.000 0.891 1335 D CB 0.812 41.626 40.800 0.023 0.000 1.187 1335 D HN 0.331 nan 8.370 nan 0.000 0.443 1336 F N 0.641 120.523 119.950 -0.113 0.000 2.399 1336 F HA 0.217 4.744 4.527 0.000 0.000 0.313 1336 F C -1.328 174.364 175.800 -0.180 0.000 1.202 1336 F CA -1.250 56.605 58.000 -0.241 0.000 1.192 1336 F CB 0.030 38.782 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 -1.195 176.130 177.300 0.042 0.000 1.227 1337 P CA -0.268 62.888 63.100 0.094 0.000 0.788 1337 P CB 0.327 32.177 31.700 0.250 0.000 0.926 1338 K N 1.095 121.529 120.400 0.058 0.000 2.530 1338 K HA 0.144 4.464 4.320 0.000 0.000 0.280 1338 K C 1.283 177.941 176.600 0.095 0.000 1.004 1338 K CA 1.235 57.557 56.287 0.059 0.000 1.071 1338 K CB -0.727 31.828 32.500 0.093 0.000 0.876 1338 K HN 0.857 nan 8.250 nan 0.000 0.487 1339 G N 1.172 109.977 108.800 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 0.017 174.862 174.900 -0.091 0.000 0.977 1339 G CA 0.041 45.210 45.100 0.116 0.000 0.641 1339 G HN 0.428 nan 8.290 nan 0.000 0.533 1340 V N 1.036 120.728 119.914 -0.369 0.000 2.370 1340 V HA 0.645 4.765 4.120 0.000 0.000 0.279 1340 V C -0.303 175.419 176.094 -0.619 0.000 1.029 1340 V CA -0.769 61.317 62.300 -0.356 0.000 0.870 1340 V CB 0.823 32.416 31.823 -0.384 0.000 0.984 1340 V HN 0.253 nan 8.190 nan 0.000 0.451 1341 Y N 4.266 124.610 120.300 0.073 0.000 2.376 1341 Y HA 0.604 5.154 4.550 0.000 0.000 0.340 1341 Y C -0.486 175.599 175.900 0.308 0.000 0.965 1341 Y CA -0.774 57.472 58.100 0.243 0.000 1.078 1341 Y CB 1.744 40.290 38.460 0.143 0.000 1.193 1341 Y HN 0.639 nan 8.280 nan 0.000 0.452 1342 Y N 2.436 123.026 120.300 0.483 0.000 2.468 1342 Y HA 0.681 5.231 4.550 0.000 0.000 0.342 1342 Y C -1.128 175.056 175.900 0.474 0.000 1.021 1342 Y CA -1.801 56.484 58.100 0.308 0.000 1.079 1342 Y CB 1.701 40.259 38.460 0.164 0.000 1.226 1342 Y HN 0.798 nan 8.280 nan 0.000 0.460 1343 C N 6.546 125.562 119.300 -0.474 0.000 2.505 1343 C HA 0.365 4.825 4.460 0.000 0.000 0.342 1343 C C -1.386 173.192 174.990 -0.686 0.000 1.121 1343 C CA -0.701 58.096 59.018 -0.367 0.000 1.306 1343 C CB -0.034 27.879 27.740 0.288 0.000 1.897 1343 C HN 0.886 nan 8.230 nan 0.000 0.446 1344 D N 3.975 124.059 120.400 -0.527 0.000 2.274 1344 D HA 0.322 4.962 4.640 0.000 0.000 0.239 1344 D C 0.039 176.297 176.300 -0.071 0.000 1.104 1344 D CA 0.240 54.107 54.000 -0.221 0.000 0.840 1344 D CB 0.789 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 3.441 122.141 118.700 0.000 0.000 2.451 1345 N HA 0.101 4.841 4.740 0.000 0.000 0.271 1345 N C 1.084 176.616 175.510 0.037 0.000 1.410 1345 N CA -0.159 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 0.477 121.009 120.500 0.053 0.000 2.081 1346 R HA -0.043 4.297 4.340 0.000 0.000 0.235 1346 R C 0.775 177.088 176.300 0.021 0.000 1.131 1346 R CA 1.144 57.273 56.100 0.048 0.000 0.960 1346 R CB 0.100 30.465 30.300 0.108 0.000 0.856 1346 R HN 0.117 nan 8.270 nan 0.000 0.436 1347 D N 0.392 120.808 120.400 0.027 0.000 2.224 1347 D HA -0.041 4.599 4.640 0.000 0.000 0.205 1347 D C 0.184 176.490 176.300 0.010 0.000 0.965 1347 D CA 1.255 55.265 54.000 0.017 0.000 0.852 1347 D CB 0.240 41.051 40.800 0.018 0.000 0.947 1347 D HN 0.115 nan 8.370 nan 0.000 0.494 1348 K N 0.822 121.229 120.400 0.012 0.000 2.752 1348 K HA 0.287 4.607 4.320 0.000 0.000 0.199 1348 K C -2.754 173.859 176.600 0.022 0.000 1.069 1348 K CA -1.427 54.868 56.287 0.015 0.000 1.033 1348 K CB 2.480 34.987 32.500 0.011 0.000 1.229 1348 K HN -0.127 nan 8.250 nan 0.000 0.572 1349 P HA -0.027 nan 4.420 nan 0.000 0.266 1349 P C -0.096 177.255 177.300 0.085 0.000 1.195 1349 P CA -0.195 62.939 63.100 0.058 0.000 0.768 1349 P CB 0.461 32.190 31.700 0.048 0.000 0.838 1350 I N 3.747 124.357 120.570 0.067 0.000 2.587 1350 I HA -0.019 4.151 4.170 0.000 0.000 0.284 1350 I C -0.047 176.196 176.117 0.209 0.000 1.134 1350 I CA 0.414 61.701 61.300 -0.021 0.000 1.410 1350 I CB -1.164 36.577 38.000 -0.432 0.000 1.392 1350 I HN 0.419 nan 8.210 nan 0.000 0.545 1351 Y N 6.242 126.546 120.300 0.006 0.000 2.317 1351 Y HA 0.159 4.709 4.550 0.000 0.000 0.329 1351 Y C 1.098 177.003 175.900 0.009 0.000 1.101 1351 Y CA -0.872 57.257 58.100 0.048 0.000 1.228 1351 Y CB 1.347 39.837 38.460 0.050 0.000 1.123 1351 Y HN 0.725 nan 8.280 nan 0.000 0.457 1352 T N 1.366 115.791 114.554 -0.216 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 2.365 64.330 62.100 -0.225 0.000 1.142 1352 T CB -0.625 68.139 68.868 -0.174 0.000 0.868 1352 T HN 1.591 nan 8.240 nan 0.000 0.435 1353 L N -2.136 118.799 121.223 -0.479 0.000 3.211 1353 L HA 0.126 4.466 4.340 0.000 0.000 0.417 1353 L C 0.846 177.607 176.870 -0.181 0.000 0.707 1353 L CA 2.510 57.124 54.840 -0.377 0.000 2.938 1353 L CB -2.632 39.263 42.059 -0.274 0.000 0.825 1353 L HN 1.426 nan 8.230 nan 0.000 0.704 1354 Q N -1.851 117.866 119.800 -0.138 0.000 2.310 1354 Q HA 0.671 5.011 4.340 0.000 0.000 0.270 1354 Q C -0.495 175.485 176.000 -0.034 0.000 1.025 1354 Q CA -0.277 55.493 55.803 -0.055 0.000 0.772 1354 Q CB 0.848 29.563 28.738 -0.039 0.000 1.253 1354 Q HN 1.701 nan 8.270 nan 0.000 0.450 1355 Y N 1.555 121.801 120.300 -0.090 0.000 2.852 1355 Y HA 0.239 4.789 4.550 0.000 0.000 0.343 1355 Y C 1.608 177.472 175.900 -0.060 0.000 1.280 1355 Y CA 2.277 60.328 58.100 -0.082 0.000 1.604 1355 Y CB 0.141 38.549 38.460 -0.087 0.000 1.216 1355 Y HN 1.374 nan 8.280 nan 0.000 0.541 1356 G N 2.064 110.677 108.800 -0.311 0.000 2.157 1356 G HA2 -0.428 3.532 3.960 0.000 0.000 0.248 1356 G HA3 -0.428 3.532 3.960 0.000 0.000 0.248 1356 G C 0.800 175.665 174.900 -0.058 0.000 0.979 1356 G CA 0.689 45.707 45.100 -0.136 0.000 0.650 1356 G HN 1.079 nan 8.290 nan 0.000 0.529 1357 N N -1.051 117.609 118.700 -0.067 0.000 2.364 1357 N HA 0.321 5.061 4.740 0.000 0.000 0.183 1357 N C 0.985 176.475 175.510 -0.033 0.000 1.022 1357 N CA 2.024 55.048 53.050 -0.045 0.000 0.883 1357 N CB 0.153 38.604 38.487 -0.060 0.000 0.965 1357 N HN 1.060 nan 8.380 nan 0.000 0.438 1358 V N -1.049 118.848 119.914 -0.027 0.000 2.789 1358 V HA 0.821 4.941 4.120 0.000 0.000 0.311 1358 V C 0.370 176.567 176.094 0.172 0.000 1.073 1358 V CA -0.658 61.660 62.300 0.029 0.000 0.921 1358 V CB 1.505 33.294 31.823 -0.057 0.000 1.009 1358 V HN 0.526 nan 8.190 nan 0.000 0.426 1359 G N 1.610 110.523 108.800 0.188 0.000 2.619 1359 G HA2 0.674 4.634 3.960 0.000 0.000 0.296 1359 G HA3 0.674 4.634 3.960 0.000 0.000 0.296 1359 G C -1.939 173.106 174.900 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 -0.007 0.000 2.410 1360 F HA 0.637 5.164 4.527 0.000 0.000 0.349 1360 F C -0.221 175.553 175.800 -0.044 0.000 1.117 1360 F CA -0.513 57.511 58.000 0.040 0.000 1.104 1360 F CB 1.652 40.615 39.000 -0.062 0.000 1.122 1360 F HN 0.271 nan 8.300 nan 0.000 0.483 1361 V N 6.544 126.148 119.914 -0.517 0.000 2.513 1361 V HA 0.588 4.708 4.120 0.000 0.000 0.299 1361 V C -0.811 175.030 176.094 -0.421 0.000 1.035 1361 V CA -0.871 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 0.562 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 -0.381 175.498 176.094 -0.359 0.000 1.026 1362 V CA -0.633 61.466 62.300 -0.335 0.000 0.856 1362 V CB 1.938 33.591 31.823 -0.283 0.000 1.001 1362 V HN 0.896 nan 8.190 nan 0.000 0.424 1363 N N 7.082 125.424 118.700 -0.597 0.000 2.546 1363 N HA 0.370 5.110 4.740 0.000 0.000 0.238 1363 N C -2.728 172.488 175.510 -0.490 0.000 0.984 1363 N CA -1.617 51.066 53.050 -0.612 0.000 0.935 1363 N CB 2.498 40.304 38.487 -1.134 0.000 1.122 1363 N HN 0.333 nan 8.380 nan 0.000 0.510 1364 P HA 0.144 nan 4.420 nan 0.000 0.279 1364 P C 0.199 177.427 177.300 -0.121 0.000 1.239 1364 P CA -0.197 62.765 63.100 -0.230 0.000 0.789 1364 P CB 2.087 33.645 31.700 -0.237 0.000 0.933 1365 K N 1.630 122.004 120.400 -0.044 0.000 2.128 1365 K HA 0.045 4.365 4.320 0.000 0.000 0.202 1365 K C 0.516 177.114 176.600 -0.002 0.000 1.050 1365 K CA 1.037 57.309 56.287 -0.025 0.000 0.966 1365 K CB 0.159 32.655 32.500 -0.006 0.000 0.759 1365 K HN 0.646 nan 8.250 nan 0.000 0.454 1366 T N -1.429 113.144 114.554 0.032 0.000 2.886 1366 T HA 0.517 4.867 4.350 0.000 0.000 0.292 1366 T C -0.862 173.869 174.700 0.051 0.000 1.012 1366 T CA -0.928 61.181 62.100 0.016 0.000 0.982 1366 T CB 2.023 70.883 68.868 -0.013 0.000 1.018 1366 T HN -0.181 nan 8.240 nan 0.000 0.451 1367 V N 4.141 124.067 119.914 0.019 0.000 2.443 1367 V HA 0.468 4.588 4.120 0.000 0.000 0.293 1367 V C -0.323 175.751 176.094 -0.034 0.000 1.021 1367 V CA -1.029 61.289 62.300 0.030 0.000 0.848 1367 V CB 1.317 33.148 31.823 0.013 0.000 0.998 1367 V HN 0.900 nan 8.190 nan 0.000 0.424 1368 N N 2.555 121.206 118.700 -0.080 0.000 2.413 1368 N HA 0.306 5.046 4.740 0.000 0.000 0.266 1368 N C -0.023 175.443 175.510 -0.073 0.000 1.238 1368 N CA -0.654 52.340 53.050 -0.093 0.000 0.972 1368 N CB 0.519 38.919 38.487 -0.143 0.000 1.210 1368 N HN 0.541 nan 8.380 nan 0.000 0.547 1369 Q N 1.224 120.985 119.800 -0.064 0.000 2.337 1369 Q HA 0.067 4.407 4.340 0.000 0.000 0.270 1369 Q C -0.096 175.872 176.000 -0.054 0.000 1.002 1369 Q CA 0.365 56.139 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 -1.124 117.553 118.700 -0.038 0.000 2.776 1370 N HA -0.178 4.562 4.740 0.000 0.000 0.249 1370 N C -0.729 174.755 175.510 -0.044 0.000 1.111 1370 N CA 0.990 54.021 53.050 -0.032 0.000 0.711 1370 N CB -1.289 37.182 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 0.178 52.202 52.037 -0.022 0.000 0.798 1371 A CB 0.674 19.700 19.000 0.043 0.000 1.033 1371 A HN 0.478 nan 8.150 nan 0.000 0.488 1372 R N 0.553 121.084 120.500 0.051 0.000 2.709 1372 R HA 0.578 4.918 4.340 0.000 0.000 0.270 1372 R C -2.141 174.221 176.300 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 31.123 30.300 0.058 0.000 1.259 1372 R HN 0.452 nan 8.270 nan 0.000 0.473 1373 L N 2.521 123.793 121.223 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 -1.046 53.875 54.840 0.135 0.000 0.812 1373 L CB 1.648 43.790 42.059 0.137 0.000 1.223 1373 L HN 0.448 nan 8.230 nan 0.000 0.421 1374 L N 4.767 126.117 121.223 0.212 0.000 2.262 1374 L HA 0.421 4.761 4.340 0.000 0.000 0.288 1374 L C -0.100 176.873 176.870 0.173 0.000 1.035 1374 L CA -0.285 54.713 54.840 0.263 0.000 0.820 1374 L CB 1.129 43.465 42.059 0.461 0.000 1.204 1374 L HN 0.487 nan 8.230 nan 0.000 0.424 1375 M N 2.410 122.012 119.600 0.003 0.000 2.367 1375 M HA 0.549 5.029 4.480 0.000 0.000 0.339 1375 M C 0.376 176.386 176.300 -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 0.565 nan 8.290 nan 0.000 0.457 1376 G N 2.457 110.780 108.800 -0.795 0.000 2.687 1376 G HA2 0.695 4.655 3.960 0.000 0.000 0.301 1376 G HA3 0.695 4.655 3.960 0.000 0.000 0.301 1376 G C -2.033 172.397 174.900 -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 0.196 120.498 120.300 0.003 0.000 2.499 1377 Y HA 0.569 5.119 4.550 0.000 0.000 0.347 1377 Y C 0.286 176.420 175.900 0.389 0.000 0.987 1377 Y CA -0.910 57.398 58.100 0.348 0.000 1.044 1377 Y CB 2.737 41.525 38.460 0.546 0.000 1.245 1377 Y HN 0.420 nan 8.280 nan 0.000 0.461 1378 E N 2.364 122.873 120.200 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 0.238 0.000 0.893 1378 E CA -0.758 55.784 56.400 0.238 0.000 0.761 1378 E CB 1.694 31.567 29.700 0.289 0.000 1.133 1378 E HN 0.560 nan 8.360 nan 0.000 0.409 1379 Y N 0.853 121.138 120.300 -0.025 0.000 2.670 1379 Y HA 0.588 5.138 4.550 0.000 0.000 0.334 1379 Y C -1.705 174.130 175.900 -0.109 0.000 1.185 1379 Y CA -1.446 56.546 58.100 -0.181 0.000 1.053 1379 Y CB 1.019 39.220 38.460 -0.431 0.000 1.298 1379 Y HN 0.307 nan 8.280 nan 0.000 0.459 1380 F N 0.647 120.695 119.950 0.163 0.000 2.522 1380 F HA 0.715 5.242 4.527 0.000 0.000 0.324 1380 F C 0.116 175.968 175.800 0.086 0.000 1.077 1380 F CA -0.944 57.100 58.000 0.074 0.000 0.944 1380 F CB 2.565 41.560 39.000 -0.009 0.000 1.175 1380 F HN 0.723 nan 8.300 nan 0.000 0.468 1381 T N 1.123 115.821 114.554 0.241 0.000 2.957 1381 T HA 0.278 4.628 4.350 0.000 0.000 0.336 1381 T C -1.062 173.688 174.700 0.083 0.000 1.462 1381 T CA -0.778 61.411 62.100 0.150 0.000 1.073 1381 T CB 1.214 70.127 68.868 0.076 0.000 1.319 1381 T HN 0.695 nan 8.240 nan 0.000 0.485 1382 S N 3.247 118.995 115.700 0.080 0.000 2.580 1382 S HA 0.355 4.825 4.470 0.000 0.000 0.274 1382 S C 1.257 175.883 174.600 0.044 0.000 1.329 1382 S CA -0.569 57.656 58.200 0.041 0.000 1.036 1382 S CB 0.944 64.170 63.200 0.043 0.000 0.919 1382 S HN 0.805 nan 8.310 nan 0.000 0.515 1383 R N 1.590 122.103 120.500 0.022 0.000 2.193 1383 R HA 0.048 4.388 4.340 0.000 0.000 0.229 1383 R C 1.505 177.828 176.300 0.039 0.000 1.110 1383 R CA 0.988 57.101 56.100 0.021 0.000 0.988 1383 R CB -1.744 28.568 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