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 1nuz_1_A DATA FIRST_RESID 1007 DATA SEQUENCE DTNIVTLTRF VMEEGRKARG TGEMTQLLNS LCTAVKAIST AVRKAGIAHL DATA SEQUENCE YGIAGSTNVT GDQVKKLDVL SNDLVINVLK SSFATCVLVS EEDKNAIIVE DATA SEQUENCE PEKRGKYVVC FDPLDGSSNI DCLVSIGTIF GIYRKNSTDE PSEKDALQPG DATA SEQUENCE RNLVAAGYAL YGSATMLVLA MVNGVNCFML DPAIGEFILV DRDVKIKKKG DATA SEQUENCE SIYSINEGYA KEFDPAITEY IQRKKFPPDN SAPYGARYVG SMVADVHRTL DATA SEQUENCE VYGGIFMYPA NKKSPKGKLR LLYECNPMAY VMEKAGGLAT TGKEAVLDIV DATA SEQUENCE PTDIHQRAPI ILGSPEDVTE LLEIYQKHA 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 1007 D HA 0.000 nan 4.640 nan 0.000 0.175 1007 D C 0.000 176.308 176.300 0.013 0.000 2.045 1007 D CA 0.000 54.007 54.000 0.011 0.000 0.868 1007 D CB 0.000 40.804 40.800 0.007 0.000 0.688 1008 T N -1.897 112.665 114.554 0.013 0.000 3.118 1008 T HA 0.055 4.389 4.350 -0.026 0.000 0.260 1008 T C 0.621 175.332 174.700 0.018 0.000 1.139 1008 T CA 0.415 62.523 62.100 0.013 0.000 1.085 1008 T CB -0.324 68.550 68.868 0.011 0.000 0.934 1008 T HN 0.133 nan 8.240 nan 0.000 0.518 1009 N N 0.951 119.664 118.700 0.022 0.000 2.569 1009 N HA 0.418 5.142 4.740 -0.026 0.000 0.254 1009 N C -1.565 173.968 175.510 0.038 0.000 1.004 1009 N CA -0.923 52.144 53.050 0.029 0.000 0.904 1009 N CB 0.455 38.959 38.487 0.028 0.000 1.165 1009 N HN 0.188 nan 8.380 nan 0.000 0.513 1010 I N 2.682 123.277 120.570 0.042 0.000 2.297 1010 I HA 0.235 4.389 4.170 -0.026 0.000 0.291 1010 I C -0.028 176.136 176.117 0.079 0.000 1.033 1010 I CA -0.941 60.391 61.300 0.054 0.000 1.253 1010 I CB 1.362 39.389 38.000 0.045 0.000 1.396 1010 I HN 0.147 nan 8.210 nan 0.000 0.476 1011 V N 6.397 126.371 119.914 0.101 0.000 2.276 1011 V HA 0.176 4.280 4.120 -0.026 0.000 0.249 1011 V C 0.891 177.107 176.094 0.203 0.000 1.160 1011 V CA -0.277 62.115 62.300 0.153 0.000 1.042 1011 V CB -0.466 31.458 31.823 0.168 0.000 1.224 1011 V HN 0.941 nan 8.190 nan 0.000 0.496 1012 T N 1.272 115.930 114.554 0.173 0.000 2.847 1012 T HA 0.381 4.715 4.350 -0.026 0.000 0.279 1012 T C 1.260 176.054 174.700 0.158 0.000 0.984 1012 T CA -0.473 61.730 62.100 0.170 0.000 0.988 1012 T CB 1.484 70.413 68.868 0.101 0.000 1.040 1012 T HN 0.281 nan 8.240 nan 0.000 0.528 1013 L N 0.707 121.914 121.223 -0.026 0.000 2.013 1013 L HA -0.116 4.209 4.340 -0.026 0.000 0.212 1013 L C 2.688 179.466 176.870 -0.153 0.000 1.073 1013 L CA 2.172 56.728 54.840 -0.474 0.000 0.753 1013 L CB -1.131 40.492 42.059 -0.726 0.000 0.890 1013 L HN 0.942 nan 8.230 nan 0.000 0.432 1014 T N -0.505 114.011 114.554 -0.063 0.000 2.635 1014 T HA -0.307 4.027 4.350 -0.026 0.000 0.267 1014 T C 1.926 176.646 174.700 0.032 0.000 1.040 1014 T CA 1.976 64.065 62.100 -0.019 0.000 1.156 1014 T CB -0.346 68.521 68.868 -0.002 0.000 0.863 1014 T HN 0.382 nan 8.240 nan 0.000 0.430 1015 R N -0.243 120.300 120.500 0.071 0.000 2.081 1015 R HA -0.086 4.238 4.340 -0.026 0.000 0.235 1015 R C 2.243 178.612 176.300 0.115 0.000 1.131 1015 R CA 1.388 57.538 56.100 0.083 0.000 0.960 1015 R CB -0.528 29.830 30.300 0.097 0.000 0.856 1015 R HN 0.406 nan 8.270 nan 0.000 0.436 1016 F N 0.686 120.665 119.950 0.049 0.000 2.046 1016 F HA -0.218 4.293 4.527 -0.026 0.000 0.297 1016 F C 1.891 177.717 175.800 0.042 0.000 1.123 1016 F CA 1.778 59.835 58.000 0.094 0.000 1.199 1016 F CB -0.338 38.804 39.000 0.237 0.000 0.972 1016 F HN -0.176 nan 8.300 nan 0.000 0.474 1017 V N 0.396 120.420 119.914 0.182 0.000 3.078 1017 V HA -0.267 3.837 4.120 -0.026 0.000 0.265 1017 V C 2.053 178.137 176.094 -0.016 0.000 1.122 1017 V CA 1.672 64.015 62.300 0.071 0.000 1.141 1017 V CB -0.556 31.293 31.823 0.044 0.000 0.735 1017 V HN 0.458 nan 8.190 nan 0.000 0.498 1018 M N -1.204 118.384 119.600 -0.021 0.000 2.412 1018 M HA -0.013 4.451 4.480 -0.026 0.000 0.263 1018 M C 2.187 178.453 176.300 -0.056 0.000 1.122 1018 M CA 1.181 56.465 55.300 -0.027 0.000 1.179 1018 M CB -0.131 32.464 32.600 -0.009 0.000 1.335 1018 M HN 0.239 nan 8.290 nan 0.000 0.465 1019 E N 0.491 120.642 120.200 -0.082 0.000 2.058 1019 E HA -0.229 4.105 4.350 -0.026 0.000 0.194 1019 E C 1.862 178.380 176.600 -0.136 0.000 0.997 1019 E CA 1.435 57.775 56.400 -0.100 0.000 0.801 1019 E CB -0.010 29.623 29.700 -0.112 0.000 0.746 1019 E HN 0.474 nan 8.360 nan 0.000 0.450 1020 E N -0.439 119.623 120.200 -0.228 0.000 2.028 1020 E HA -0.107 4.227 4.350 -0.026 0.000 0.191 1020 E C 1.921 178.458 176.600 -0.104 0.000 0.988 1020 E CA 0.905 57.180 56.400 -0.208 0.000 0.799 1020 E CB -0.153 29.348 29.700 -0.332 0.000 0.755 1020 E HN 0.245 nan 8.360 nan 0.000 0.447 1021 G N 1.289 110.042 108.800 -0.078 0.000 2.990 1021 G HA2 -0.194 3.750 3.960 -0.026 0.000 0.206 1021 G HA3 -0.194 3.750 3.960 -0.026 0.000 0.206 1021 G C 1.261 176.149 174.900 -0.020 0.000 1.169 1021 G CA 0.091 45.173 45.100 -0.030 0.000 0.819 1021 G HN 0.150 nan 8.290 nan 0.000 0.517 1022 R N -0.334 120.146 120.500 -0.032 0.000 2.140 1022 R HA 0.215 4.540 4.340 -0.026 0.000 0.213 1022 R C 1.765 178.056 176.300 -0.016 0.000 1.059 1022 R CA 0.497 56.584 56.100 -0.022 0.000 1.000 1022 R CB -0.123 30.161 30.300 -0.027 0.000 0.910 1022 R HN 0.059 nan 8.270 nan 0.000 0.455 1023 K N 0.239 120.627 120.400 -0.020 0.000 2.379 1023 K HA 0.185 4.489 4.320 -0.026 0.000 0.194 1023 K C 1.419 178.016 176.600 -0.005 0.000 1.031 1023 K CA 0.677 56.956 56.287 -0.012 0.000 1.037 1023 K CB 0.861 33.352 32.500 -0.015 0.000 0.824 1023 K HN 0.270 nan 8.250 nan 0.000 0.516 1024 A N 1.451 124.269 122.820 -0.004 0.000 2.208 1024 A HA 0.025 4.329 4.320 -0.026 0.000 0.209 1024 A C 0.403 177.994 177.584 0.012 0.000 1.161 1024 A CA 0.263 52.304 52.037 0.007 0.000 0.782 1024 A CB -0.117 18.891 19.000 0.012 0.000 0.816 1024 A HN 0.325 nan 8.150 nan 0.000 0.477 1025 R N -2.345 118.159 120.500 0.007 0.000 4.021 1025 R HA -0.071 4.253 4.340 -0.026 0.000 0.352 1025 R C 0.761 177.072 176.300 0.018 0.000 0.241 1025 R CA 0.795 56.900 56.100 0.009 0.000 1.154 1025 R CB -1.961 28.344 30.300 0.009 0.000 1.057 1025 R HN 2.018 nan 8.270 nan 0.000 0.535 1026 G N -1.865 106.948 108.800 0.021 0.000 2.662 1026 G HA2 -0.106 3.838 3.960 -0.026 0.000 0.686 1026 G HA3 -0.106 3.838 3.960 -0.026 0.000 0.686 1026 G C 0.494 175.412 174.900 0.029 0.000 1.271 1026 G CA 0.839 45.958 45.100 0.032 0.000 0.816 1026 G HN 1.245 nan 8.290 nan 0.000 0.608 1027 T N -1.980 112.596 114.554 0.036 0.000 2.962 1027 T HA 0.357 4.691 4.350 -0.026 0.000 0.270 1027 T C 2.533 177.257 174.700 0.040 0.000 1.088 1027 T CA 2.033 64.151 62.100 0.031 0.000 1.127 1027 T CB -0.244 68.641 68.868 0.029 0.000 0.883 1027 T HN 2.831 nan 8.240 nan 0.000 0.493 1028 G N 1.981 110.816 108.800 0.057 0.000 2.136 1028 G HA2 -0.279 3.665 3.960 -0.026 0.000 0.242 1028 G HA3 -0.279 3.665 3.960 -0.026 0.000 0.242 1028 G C 0.509 175.452 174.900 0.071 0.000 0.989 1028 G CA 0.459 45.590 45.100 0.051 0.000 0.682 1028 G HN 0.784 nan 8.290 nan 0.000 0.522 1029 E N -0.996 119.278 120.200 0.123 0.000 2.435 1029 E HA 0.147 4.481 4.350 -0.026 0.000 0.195 1029 E C 2.147 178.840 176.600 0.155 0.000 1.029 1029 E CA 0.764 57.258 56.400 0.156 0.000 0.865 1029 E CB -0.091 29.730 29.700 0.200 0.000 0.833 1029 E HN 0.526 nan 8.360 nan 0.000 0.510 1030 M N 2.045 121.722 119.600 0.129 0.000 2.099 1030 M HA -0.077 4.387 4.480 -0.026 0.000 0.262 1030 M C 1.973 178.220 176.300 -0.089 0.000 1.067 1030 M CA 1.989 57.238 55.300 -0.085 0.000 1.124 1030 M CB -0.683 31.865 32.600 -0.086 0.000 1.353 1030 M HN -0.014 nan 8.290 nan 0.000 0.410 1031 T N 0.523 115.059 114.554 -0.031 0.000 2.665 1031 T HA -0.228 4.106 4.350 -0.026 0.000 0.268 1031 T C 1.782 176.456 174.700 -0.043 0.000 1.035 1031 T CA 2.014 64.091 62.100 -0.039 0.000 1.151 1031 T CB -0.335 68.525 68.868 -0.013 0.000 0.862 1031 T HN 0.546 nan 8.240 nan 0.000 0.438 1032 Q N 0.062 119.858 119.800 -0.008 0.000 2.096 1032 Q HA -0.048 4.276 4.340 -0.026 0.000 0.204 1032 Q C 2.372 178.346 176.000 -0.044 0.000 0.982 1032 Q CA 1.006 56.810 55.803 0.002 0.000 0.850 1032 Q CB -0.312 28.462 28.738 0.060 0.000 0.901 1032 Q HN 0.330 nan 8.270 nan 0.000 0.422 1033 L N 0.540 121.721 121.223 -0.071 0.000 1.989 1033 L HA -0.199 4.125 4.340 -0.026 0.000 0.211 1033 L C 2.061 178.804 176.870 -0.212 0.000 1.071 1033 L CA 1.769 56.527 54.840 -0.137 0.000 0.749 1033 L CB -0.608 41.326 42.059 -0.209 0.000 0.890 1033 L HN 0.368 nan 8.230 nan 0.000 0.431 1034 L N -0.354 120.732 121.223 -0.227 0.000 2.156 1034 L HA -0.202 4.122 4.340 -0.026 0.000 0.208 1034 L C 2.301 179.025 176.870 -0.243 0.000 1.095 1034 L CA 0.736 55.403 54.840 -0.288 0.000 0.770 1034 L CB -0.576 41.330 42.059 -0.256 0.000 0.914 1034 L HN 0.349 nan 8.230 nan 0.000 0.439 1035 N N -0.293 118.313 118.700 -0.157 0.000 2.084 1035 N HA -0.141 4.584 4.740 -0.026 0.000 0.190 1035 N C 2.060 177.507 175.510 -0.106 0.000 1.030 1035 N CA 1.480 54.466 53.050 -0.107 0.000 0.849 1035 N CB -0.261 38.191 38.487 -0.058 0.000 1.012 1035 N HN 0.111 nan 8.380 nan 0.000 0.423 1036 S N 0.958 116.588 115.700 -0.117 0.000 2.359 1036 S HA -0.111 4.343 4.470 -0.026 0.000 0.224 1036 S C 1.875 176.375 174.600 -0.166 0.000 1.035 1036 S CA 0.689 58.815 58.200 -0.123 0.000 1.018 1036 S CB -0.399 62.725 63.200 -0.127 0.000 0.876 1036 S HN 0.229 nan 8.310 nan 0.000 0.448 1037 L N 1.388 122.464 121.223 -0.245 0.000 2.083 1037 L HA -0.063 4.261 4.340 -0.026 0.000 0.209 1037 L C 2.271 178.985 176.870 -0.261 0.000 1.083 1037 L CA 1.507 56.154 54.840 -0.322 0.000 0.752 1037 L CB -1.012 40.739 42.059 -0.514 0.000 0.899 1037 L HN 0.344 nan 8.230 nan 0.000 0.433 1038 C N -1.053 118.103 119.300 -0.240 0.000 2.413 1038 C HA -0.165 4.279 4.460 -0.026 0.000 0.277 1038 C C 2.652 177.701 174.990 0.099 0.000 1.265 1038 C CA 1.435 60.376 59.018 -0.129 0.000 1.752 1038 C CB -1.239 26.452 27.740 -0.082 0.000 1.998 1038 C HN 0.619 nan 8.230 nan 0.000 0.489 1039 T N 0.890 115.453 114.554 0.015 0.000 2.708 1039 T HA -0.124 4.210 4.350 -0.026 0.000 0.266 1039 T C 2.100 176.802 174.700 0.003 0.000 1.037 1039 T CA 1.702 63.812 62.100 0.017 0.000 1.146 1039 T CB -0.376 68.477 68.868 -0.024 0.000 0.865 1039 T HN 0.644 nan 8.240 nan 0.000 0.435 1040 A N 0.823 123.616 122.820 -0.045 0.000 1.902 1040 A HA -0.035 4.269 4.320 -0.026 0.000 0.217 1040 A C 2.571 180.163 177.584 0.013 0.000 1.181 1040 A CA 1.269 53.277 52.037 -0.049 0.000 0.623 1040 A CB -0.981 17.951 19.000 -0.113 0.000 0.818 1040 A HN 0.351 nan 8.150 nan 0.000 0.443 1041 V N 0.289 120.238 119.914 0.059 0.000 2.343 1041 V HA -0.294 3.810 4.120 -0.026 0.000 0.247 1041 V C 2.461 178.713 176.094 0.263 0.000 1.051 1041 V CA 2.385 64.811 62.300 0.211 0.000 1.036 1041 V CB -0.686 31.250 31.823 0.189 0.000 0.654 1041 V HN 0.553 nan 8.190 nan 0.000 0.451 1042 K N 0.267 120.812 120.400 0.242 0.000 2.063 1042 K HA -0.172 4.132 4.320 -0.026 0.000 0.208 1042 K C 2.287 178.904 176.600 0.028 0.000 1.048 1042 K CA 1.597 57.956 56.287 0.121 0.000 0.928 1042 K CB -0.447 32.087 32.500 0.056 0.000 0.713 1042 K HN 0.484 nan 8.250 nan 0.000 0.442 1043 A N 1.369 124.194 122.820 0.010 0.000 1.969 1043 A HA -0.133 4.171 4.320 -0.026 0.000 0.218 1043 A C 2.032 179.572 177.584 -0.073 0.000 1.169 1043 A CA 1.122 53.139 52.037 -0.033 0.000 0.635 1043 A CB -0.345 18.634 19.000 -0.034 0.000 0.810 1043 A HN 0.096 nan 8.150 nan 0.000 0.445 1044 I N -0.442 120.077 120.570 -0.085 0.000 2.252 1044 I HA -0.132 4.022 4.170 -0.026 0.000 0.245 1044 I C 2.706 178.589 176.117 -0.390 0.000 1.102 1044 I CA 1.719 62.890 61.300 -0.215 0.000 1.385 1044 I CB -1.416 36.459 38.000 -0.208 0.000 1.064 1044 I HN 0.380 nan 8.210 nan 0.000 0.414 1045 S N 0.010 115.503 115.700 -0.346 0.000 2.359 1045 S HA -0.251 4.203 4.470 -0.026 0.000 0.224 1045 S C 2.248 176.750 174.600 -0.163 0.000 1.035 1045 S CA 2.561 60.590 58.200 -0.285 0.000 1.018 1045 S CB -0.350 62.879 63.200 0.048 0.000 0.876 1045 S HN 0.564 nan 8.310 nan 0.000 0.448 1046 T N 0.472 114.960 114.554 -0.109 0.000 2.821 1046 T HA 0.105 4.439 4.350 -0.026 0.000 0.267 1046 T C 1.810 176.451 174.700 -0.099 0.000 1.046 1046 T CA 1.573 63.623 62.100 -0.083 0.000 1.139 1046 T CB -0.628 68.202 68.868 -0.063 0.000 0.871 1046 T HN 0.450 nan 8.240 nan 0.000 0.454 1047 A N 0.567 123.315 122.820 -0.120 0.000 1.902 1047 A HA 0.047 4.351 4.320 -0.026 0.000 0.217 1047 A C 2.572 180.071 177.584 -0.143 0.000 1.181 1047 A CA 1.745 53.708 52.037 -0.124 0.000 0.623 1047 A CB -0.982 17.946 19.000 -0.119 0.000 0.818 1047 A HN 0.444 nan 8.150 nan 0.000 0.443 1048 V N -0.235 119.578 119.914 -0.168 0.000 2.307 1048 V HA -0.211 3.894 4.120 -0.026 0.000 0.245 1048 V C 2.589 178.640 176.094 -0.072 0.000 1.045 1048 V CA 2.207 64.427 62.300 -0.134 0.000 1.024 1048 V CB -0.752 30.946 31.823 -0.208 0.000 0.651 1048 V HN 0.443 nan 8.190 nan 0.000 0.449 1049 R N 0.954 121.413 120.500 -0.069 0.000 2.241 1049 R HA -0.105 4.219 4.340 -0.026 0.000 0.224 1049 R C 1.748 178.021 176.300 -0.046 0.000 1.101 1049 R CA 1.039 57.120 56.100 -0.032 0.000 0.995 1049 R CB -0.343 29.941 30.300 -0.027 0.000 0.870 1049 R HN 0.741 nan 8.270 nan 0.000 0.463 1050 K N -1.975 118.374 120.400 -0.085 0.000 2.592 1050 K HA 0.389 4.694 4.320 -0.026 0.000 0.203 1050 K C 1.133 177.622 176.600 -0.185 0.000 1.070 1050 K CA 0.370 56.596 56.287 -0.102 0.000 1.062 1050 K CB 0.750 33.200 32.500 -0.085 0.000 0.814 1050 K HN -0.043 nan 8.250 nan 0.000 0.502 1051 A N 1.548 124.214 122.820 -0.258 0.000 1.883 1051 A HA -0.084 4.220 4.320 -0.026 0.000 0.217 1051 A C 2.270 179.371 177.584 -0.805 0.000 1.186 1051 A CA 2.031 53.749 52.037 -0.532 0.000 0.624 1051 A CB -1.208 17.402 19.000 -0.650 0.000 0.822 1051 A HN 0.545 nan 8.150 nan 0.000 0.444 1052 G N -0.501 107.861 108.800 -0.729 0.000 2.422 1052 G HA2 -0.086 3.858 3.960 -0.026 0.000 0.218 1052 G HA3 -0.086 3.858 3.960 -0.026 0.000 0.218 1052 G C 1.319 176.009 174.900 -0.349 0.000 1.140 1052 G CA 1.002 45.846 45.100 -0.428 0.000 0.775 1052 G HN 0.385 nan 8.290 nan 0.000 0.545 1053 I N 1.524 121.938 120.570 -0.261 0.000 2.439 1053 I HA 0.015 4.169 4.170 -0.026 0.000 0.251 1053 I C 2.849 178.821 176.117 -0.242 0.000 1.139 1053 I CA 0.923 62.079 61.300 -0.239 0.000 1.438 1053 I CB -0.932 36.995 38.000 -0.122 0.000 1.085 1053 I HN 0.232 nan 8.210 nan 0.000 0.427 1054 A N -0.752 121.956 122.820 -0.186 0.000 2.278 1054 A HA -0.025 4.279 4.320 -0.026 0.000 0.212 1054 A C 0.643 178.248 177.584 0.035 0.000 1.213 1054 A CA 0.057 52.067 52.037 -0.045 0.000 0.840 1054 A CB -0.992 17.961 19.000 -0.080 0.000 0.866 1054 A HN 0.619 nan 8.150 nan 0.000 0.489 1055 H N -2.171 116.812 119.070 -0.145 0.000 2.820 1055 H HA -0.150 4.390 4.556 -0.026 0.000 0.295 1055 H C 0.507 175.756 175.328 -0.132 0.000 1.187 1055 H CA 0.982 56.964 56.048 -0.109 0.000 1.144 1055 H CB -2.153 27.578 29.762 -0.051 0.000 1.354 1055 H HN 0.479 nan 8.280 nan 0.000 0.395 1056 L N -0.673 120.437 121.223 -0.187 0.000 2.612 1056 L HA 0.127 4.451 4.340 -0.026 0.000 0.230 1056 L C 0.848 177.661 176.870 -0.095 0.000 1.140 1056 L CA 0.089 54.845 54.840 -0.140 0.000 0.896 1056 L CB -0.133 41.820 42.059 -0.176 0.000 1.065 1056 L HN 0.307 nan 8.230 nan 0.000 0.447 1057 Y N 0.312 120.623 120.300 0.018 0.000 2.289 1057 Y HA 0.510 5.045 4.550 -0.025 0.000 0.332 1057 Y C 1.342 177.257 175.900 0.026 0.000 1.324 1057 Y CA 0.002 58.111 58.100 0.014 0.000 1.478 1057 Y CB 0.776 39.239 38.460 0.003 0.000 1.378 1057 Y HN 0.115 nan 8.280 nan 0.000 0.558 1058 G N 0.218 109.146 108.800 0.213 0.000 2.566 1058 G HA2 -0.020 3.924 3.960 -0.026 0.000 0.599 1058 G HA3 -0.020 3.924 3.960 -0.026 0.000 0.599 1058 G C -1.646 173.307 174.900 0.088 0.000 1.292 1058 G CA -0.622 44.550 45.100 0.119 0.000 0.922 1058 G HN 0.837 nan 8.290 nan 0.000 0.514 1059 I N -2.146 118.461 120.570 0.062 0.000 2.676 1059 I HA 0.910 5.064 4.170 -0.026 0.000 0.309 1059 I C 1.277 177.418 176.117 0.039 0.000 0.990 1059 I CA -0.143 61.186 61.300 0.048 0.000 1.168 1059 I CB 1.300 39.322 38.000 0.038 0.000 1.343 1059 I HN 1.652 nan 8.210 nan 0.000 0.482 1060 A N 3.188 126.027 122.820 0.032 0.000 2.072 1060 A HA 0.474 4.779 4.320 -0.026 0.000 0.216 1060 A C 1.553 179.148 177.584 0.018 0.000 1.156 1060 A CA 0.457 52.508 52.037 0.024 0.000 0.701 1060 A CB -1.336 17.677 19.000 0.021 0.000 0.816 1060 A HN 2.161 nan 8.150 nan 0.000 0.458 1061 G N -0.182 108.629 108.800 0.019 0.000 2.470 1061 G HA2 0.139 4.083 3.960 -0.026 0.000 0.286 1061 G HA3 0.139 4.083 3.960 -0.026 0.000 0.286 1061 G C -0.014 174.893 174.900 0.011 0.000 1.115 1061 G CA 0.729 45.838 45.100 0.015 0.000 1.122 1061 G HN 1.977 nan 8.290 nan 0.000 0.522 1062 S N -1.659 114.048 115.700 0.010 0.000 2.627 1062 S HA 0.845 5.299 4.470 -0.026 0.000 0.268 1062 S C -0.686 173.916 174.600 0.004 0.000 1.130 1062 S CA -0.007 58.197 58.200 0.005 0.000 0.819 1062 S CB 2.152 65.353 63.200 0.003 0.000 1.100 1062 S HN 1.150 nan 8.310 nan 0.000 0.465 1063 T N 2.576 117.128 114.554 -0.002 0.000 2.861 1063 T HA 0.648 4.982 4.350 -0.026 0.000 0.287 1063 T C -0.303 174.384 174.700 -0.022 0.000 1.003 1063 T CA -0.801 61.294 62.100 -0.007 0.000 0.977 1063 T CB 1.216 70.082 68.868 -0.004 0.000 0.996 1063 T HN 0.862 nan 8.240 nan 0.000 0.448 1064 N N 1.082 119.762 118.700 -0.034 0.000 2.405 1064 N HA 0.195 4.919 4.740 -0.026 0.000 0.269 1064 N C 1.549 177.002 175.510 -0.096 0.000 1.249 1064 N CA -0.815 52.193 53.050 -0.070 0.000 0.974 1064 N CB -0.116 38.322 38.487 -0.082 0.000 1.204 1064 N HN 0.325 nan 8.380 nan 0.000 0.565 1065 V N -3.259 116.550 119.914 -0.174 0.000 2.568 1065 V HA -0.176 3.928 4.120 -0.026 0.000 0.253 1065 V C 1.477 177.482 176.094 -0.148 0.000 1.072 1065 V CA 2.086 64.269 62.300 -0.195 0.000 1.084 1065 V CB -1.980 29.608 31.823 -0.391 0.000 0.676 1065 V HN 0.831 nan 8.190 nan 0.000 0.469 1066 T N -1.397 113.073 114.554 -0.140 0.000 3.169 1066 T HA 0.428 4.762 4.350 -0.026 0.000 0.250 1066 T C 1.520 176.204 174.700 -0.027 0.000 1.111 1066 T CA 0.518 62.586 62.100 -0.054 0.000 1.010 1066 T CB -0.008 68.851 68.868 -0.014 0.000 0.984 1066 T HN 1.327 nan 8.240 nan 0.000 0.537 1067 G N 2.015 110.794 108.800 -0.035 0.000 2.179 1067 G HA2 -0.219 3.725 3.960 -0.026 0.000 0.257 1067 G HA3 -0.219 3.725 3.960 -0.026 0.000 0.257 1067 G C -0.375 174.525 174.900 0.001 0.000 1.010 1067 G CA -0.122 44.970 45.100 -0.013 0.000 0.736 1067 G HN 0.535 nan 8.290 nan 0.000 0.513 1068 D N -0.327 120.073 120.400 0.000 0.000 2.357 1068 D HA 0.401 5.025 4.640 -0.026 0.000 0.242 1068 D C 0.759 177.067 176.300 0.014 0.000 1.153 1068 D CA 0.105 54.114 54.000 0.016 0.000 0.918 1068 D CB 0.599 41.412 40.800 0.022 0.000 1.181 1068 D HN 0.310 nan 8.370 nan 0.000 0.435 1069 Q N 0.589 120.403 119.800 0.024 0.000 2.307 1069 Q HA 0.275 4.600 4.340 -0.026 0.000 0.259 1069 Q C -1.149 174.867 176.000 0.026 0.000 0.998 1069 Q CA -0.358 55.459 55.803 0.023 0.000 0.923 1069 Q CB 0.841 29.595 28.738 0.027 0.000 1.196 1069 Q HN 0.148 nan 8.270 nan 0.000 0.416 1070 V N 6.227 126.153 119.914 0.021 0.000 2.470 1070 V HA 0.159 4.263 4.120 -0.026 0.000 0.276 1070 V C 0.127 176.241 176.094 0.033 0.000 1.040 1070 V CA -0.360 61.954 62.300 0.023 0.000 1.008 1070 V CB 0.541 32.373 31.823 0.014 0.000 0.990 1070 V HN 0.677 nan 8.190 nan 0.000 0.477 1071 K N 4.284 124.710 120.400 0.043 0.000 2.098 1071 K HA 0.404 4.708 4.320 -0.026 0.000 0.244 1071 K C 1.007 177.637 176.600 0.049 0.000 1.014 1071 K CA -0.661 55.658 56.287 0.054 0.000 0.917 1071 K CB 0.872 33.414 32.500 0.070 0.000 1.072 1071 K HN 0.383 nan 8.250 nan 0.000 0.477 1072 K N 0.512 120.945 120.400 0.055 0.000 2.063 1072 K HA -0.072 4.232 4.320 -0.026 0.000 0.208 1072 K C 1.962 178.580 176.600 0.030 0.000 1.048 1072 K CA 1.246 57.556 56.287 0.039 0.000 0.928 1072 K CB -0.170 32.354 32.500 0.040 0.000 0.713 1072 K HN 0.281 nan 8.250 nan 0.000 0.442 1073 L N 1.070 122.318 121.223 0.041 0.000 2.275 1073 L HA -0.163 4.161 4.340 -0.026 0.000 0.215 1073 L C 1.694 178.587 176.870 0.038 0.000 1.119 1073 L CA 0.649 55.504 54.840 0.027 0.000 0.790 1073 L CB -0.320 41.761 42.059 0.036 0.000 0.919 1073 L HN 0.186 nan 8.230 nan 0.000 0.443 1074 D N -0.191 120.239 120.400 0.049 0.000 2.097 1074 D HA -0.156 4.468 4.640 -0.026 0.000 0.195 1074 D C 2.295 178.623 176.300 0.046 0.000 0.989 1074 D CA 1.285 55.317 54.000 0.053 0.000 0.827 1074 D CB -0.084 40.743 40.800 0.046 0.000 0.966 1074 D HN 0.110 nan 8.370 nan 0.000 0.456 1075 V N 1.280 121.214 119.914 0.033 0.000 2.295 1075 V HA -0.208 3.896 4.120 -0.026 0.000 0.246 1075 V C 2.483 178.591 176.094 0.023 0.000 1.049 1075 V CA 1.118 63.434 62.300 0.027 0.000 1.024 1075 V CB -0.529 31.305 31.823 0.018 0.000 0.648 1075 V HN 0.128 nan 8.190 nan 0.000 0.447 1076 L N 1.426 122.657 121.223 0.014 0.000 1.994 1076 L HA -0.151 4.173 4.340 -0.026 0.000 0.208 1076 L C 2.718 179.590 176.870 0.002 0.000 1.071 1076 L CA 2.686 57.525 54.840 -0.001 0.000 0.745 1076 L CB -1.024 41.025 42.059 -0.016 0.000 0.892 1076 L HN 0.495 nan 8.230 nan 0.000 0.431 1077 S N -0.865 114.843 115.700 0.014 0.000 2.382 1077 S HA -0.214 4.240 4.470 -0.026 0.000 0.228 1077 S C 1.956 176.587 174.600 0.052 0.000 1.027 1077 S CA 1.302 59.517 58.200 0.025 0.000 0.991 1077 S CB -1.047 62.185 63.200 0.052 0.000 0.823 1077 S HN 0.622 nan 8.310 nan 0.000 0.469 1078 N N 2.169 120.919 118.700 0.085 0.000 2.142 1078 N HA -0.100 4.624 4.740 -0.026 0.000 0.186 1078 N C 1.258 176.827 175.510 0.097 0.000 1.023 1078 N CA 1.790 54.928 53.050 0.146 0.000 0.852 1078 N CB -0.505 38.054 38.487 0.120 0.000 0.998 1078 N HN 0.358 nan 8.380 nan 0.000 0.424 1079 D N 0.150 120.577 120.400 0.045 0.000 2.084 1079 D HA -0.122 4.502 4.640 -0.026 0.000 0.194 1079 D C 2.078 178.369 176.300 -0.015 0.000 0.990 1079 D CA 0.810 54.821 54.000 0.017 0.000 0.826 1079 D CB -0.417 40.386 40.800 0.005 0.000 0.971 1079 D HN 0.298 nan 8.370 nan 0.000 0.453 1080 L N 0.438 121.643 121.223 -0.030 0.000 1.989 1080 L HA -0.184 4.140 4.340 -0.026 0.000 0.211 1080 L C 2.650 179.454 176.870 -0.111 0.000 1.071 1080 L CA 0.821 55.624 54.840 -0.061 0.000 0.749 1080 L CB -0.590 41.437 42.059 -0.055 0.000 0.890 1080 L HN -0.055 nan 8.230 nan 0.000 0.431 1081 V N 0.100 119.922 119.914 -0.154 0.000 2.295 1081 V HA -0.300 3.804 4.120 -0.026 0.000 0.246 1081 V C 2.321 178.228 176.094 -0.312 0.000 1.049 1081 V CA 1.993 64.085 62.300 -0.347 0.000 1.024 1081 V CB -0.420 30.981 31.823 -0.703 0.000 0.648 1081 V HN 0.314 nan 8.190 nan 0.000 0.447 1082 I N 0.543 121.032 120.570 -0.135 0.000 2.179 1082 I HA -0.231 3.923 4.170 -0.026 0.000 0.242 1082 I C 2.417 178.498 176.117 -0.061 0.000 1.088 1082 I CA 1.601 62.888 61.300 -0.021 0.000 1.357 1082 I CB -0.596 37.458 38.000 0.091 0.000 1.051 1082 I HN 0.351 nan 8.210 nan 0.000 0.409 1083 N N 0.761 119.422 118.700 -0.065 0.000 2.120 1083 N HA -0.148 4.576 4.740 -0.026 0.000 0.188 1083 N C 1.961 177.405 175.510 -0.110 0.000 1.024 1083 N CA 1.893 54.897 53.050 -0.076 0.000 0.852 1083 N CB -0.720 37.730 38.487 -0.062 0.000 1.003 1083 N HN 0.439 nan 8.380 nan 0.000 0.424 1084 V N -0.947 118.891 119.914 -0.126 0.000 2.548 1084 V HA -0.024 4.080 4.120 -0.026 0.000 0.249 1084 V C 2.183 178.182 176.094 -0.158 0.000 1.055 1084 V CA 1.069 63.285 62.300 -0.139 0.000 1.065 1084 V CB -0.867 30.873 31.823 -0.139 0.000 0.681 1084 V HN 0.106 nan 8.190 nan 0.000 0.462 1085 L N -0.238 120.884 121.223 -0.168 0.000 2.056 1085 L HA -0.114 4.210 4.340 -0.026 0.000 0.207 1085 L C 2.890 179.690 176.870 -0.117 0.000 1.078 1085 L CA 2.064 56.818 54.840 -0.145 0.000 0.749 1085 L CB -0.548 41.425 42.059 -0.143 0.000 0.901 1085 L HN 0.289 nan 8.230 nan 0.000 0.433 1086 K N -0.016 120.314 120.400 -0.117 0.000 2.057 1086 K HA -0.145 4.159 4.320 -0.026 0.000 0.207 1086 K C 2.245 178.678 176.600 -0.278 0.000 1.049 1086 K CA 1.724 57.929 56.287 -0.136 0.000 0.931 1086 K CB -0.222 32.215 32.500 -0.106 0.000 0.714 1086 K HN 0.330 nan 8.250 nan 0.000 0.440 1087 S N 0.646 116.168 115.700 -0.297 0.000 2.474 1087 S HA -0.112 4.342 4.470 -0.026 0.000 0.235 1087 S C 1.925 176.199 174.600 -0.544 0.000 0.997 1087 S CA 1.243 59.167 58.200 -0.460 0.000 0.949 1087 S CB -0.314 62.728 63.200 -0.264 0.000 0.766 1087 S HN 0.299 nan 8.310 nan 0.000 0.517 1088 S N 0.739 116.261 115.700 -0.297 0.000 2.474 1088 S HA 0.023 4.477 4.470 -0.026 0.000 0.235 1088 S C 0.714 175.326 174.600 0.020 0.000 0.997 1088 S CA 0.384 58.509 58.200 -0.125 0.000 0.949 1088 S CB -1.180 61.978 63.200 -0.070 0.000 0.766 1088 S HN 0.546 nan 8.310 nan 0.000 0.517 1089 F N -0.311 119.644 119.950 0.008 0.000 3.034 1089 F HA -0.261 4.250 4.527 -0.026 0.000 0.286 1089 F C 1.253 177.075 175.800 0.037 0.000 0.804 1089 F CA 0.267 58.277 58.000 0.017 0.000 1.161 1089 F CB -1.852 37.154 39.000 0.011 0.000 1.317 1089 F HN 0.437 nan 8.300 nan 0.000 0.453 1090 A N -1.265 121.655 122.820 0.167 0.000 2.469 1090 A HA 0.504 4.808 4.320 -0.026 0.000 0.245 1090 A C 0.965 178.678 177.584 0.214 0.000 1.221 1090 A CA 0.780 52.938 52.037 0.201 0.000 0.946 1090 A CB 0.207 19.328 19.000 0.201 0.000 1.049 1090 A HN 0.420 nan 8.150 nan 0.000 0.529 1091 T N -4.280 110.356 114.554 0.136 0.000 2.916 1091 T HA 0.476 4.810 4.350 -0.026 0.000 0.292 1091 T C 0.560 175.315 174.700 0.091 0.000 1.064 1091 T CA -0.008 62.171 62.100 0.131 0.000 1.011 1091 T CB 1.462 70.393 68.868 0.104 0.000 1.152 1091 T HN 0.663 nan 8.240 nan 0.000 0.510 1092 C N -0.069 119.283 119.300 0.087 0.000 3.484 1092 C HA 0.653 5.097 4.460 -0.026 0.000 0.543 1092 C C -0.036 174.990 174.990 0.060 0.000 1.395 1092 C CA -0.346 58.709 59.018 0.061 0.000 2.412 1092 C CB -0.523 27.243 27.740 0.042 0.000 3.532 1092 C HN 0.676 nan 8.230 nan 0.000 0.584 1093 V N 2.390 122.351 119.914 0.079 0.000 2.638 1093 V HA 0.583 4.687 4.120 -0.026 0.000 0.306 1093 V C -0.889 175.267 176.094 0.103 0.000 1.052 1093 V CA -0.191 62.152 62.300 0.072 0.000 0.885 1093 V CB 1.874 33.729 31.823 0.054 0.000 0.999 1093 V HN 0.394 nan 8.190 nan 0.000 0.424 1094 L N 4.689 125.968 121.223 0.092 0.000 2.362 1094 L HA 0.745 5.069 4.340 -0.026 0.000 0.275 1094 L C -0.987 175.901 176.870 0.029 0.000 0.998 1094 L CA -0.882 54.038 54.840 0.134 0.000 0.820 1094 L CB 2.253 44.434 42.059 0.203 0.000 1.270 1094 L HN 0.347 nan 8.230 nan 0.000 0.415 1095 V N 1.669 121.563 119.914 -0.034 0.000 2.444 1095 V HA 0.481 4.585 4.120 -0.026 0.000 0.294 1095 V C -0.198 175.529 176.094 -0.611 0.000 1.022 1095 V CA -0.364 61.820 62.300 -0.194 0.000 0.850 1095 V CB 1.784 33.567 31.823 -0.066 0.000 0.992 1095 V HN 0.808 nan 8.190 nan 0.000 0.426 1096 S N 2.487 117.765 115.700 -0.703 0.000 2.526 1096 S HA 0.350 4.804 4.470 -0.026 0.000 0.293 1096 S C 0.902 175.040 174.600 -0.770 0.000 1.092 1096 S CA -0.414 57.125 58.200 -1.102 0.000 0.980 1096 S CB 1.888 64.520 63.200 -0.946 0.000 1.048 1096 S HN 0.916 nan 8.310 nan 0.000 0.483 1097 E N 2.004 121.548 120.200 -1.093 0.000 2.169 1097 E HA -0.217 4.117 4.350 -0.026 0.000 0.202 1097 E C 0.542 176.974 176.600 -0.280 0.000 1.016 1097 E CA 1.569 57.539 56.400 -0.716 0.000 0.817 1097 E CB 0.034 29.500 29.700 -0.390 0.000 0.736 1097 E HN 0.665 nan 8.360 nan 0.000 0.462 1098 E N 0.711 120.775 120.200 -0.227 0.000 2.489 1098 E HA 0.055 4.389 4.350 -0.026 0.000 0.193 1098 E C -0.469 176.079 176.600 -0.086 0.000 1.057 1098 E CA 0.348 56.679 56.400 -0.115 0.000 0.866 1098 E CB 0.220 29.888 29.700 -0.052 0.000 0.916 1098 E HN 0.297 nan 8.360 nan 0.000 0.500 1099 D N 0.393 120.747 120.400 -0.077 0.000 2.502 1099 D HA 0.145 4.769 4.640 -0.026 0.000 0.249 1099 D C 0.705 177.075 176.300 0.117 0.000 1.092 1099 D CA -0.331 53.665 54.000 -0.006 0.000 0.839 1099 D CB 1.860 42.647 40.800 -0.021 0.000 1.264 1099 D HN -0.183 nan 8.370 nan 0.000 0.511 1100 K N 1.309 121.763 120.400 0.090 0.000 2.015 1100 K HA -0.182 4.122 4.320 -0.026 0.000 0.216 1100 K C 0.478 177.218 176.600 0.235 0.000 1.052 1100 K CA 1.203 57.591 56.287 0.169 0.000 0.937 1100 K CB -0.047 32.497 32.500 0.073 0.000 0.719 1100 K HN 0.353 nan 8.250 nan 0.000 0.446 1101 N N -0.539 118.221 118.700 0.100 0.000 2.472 1101 N HA 0.366 5.090 4.740 -0.026 0.000 0.289 1101 N C -1.202 174.311 175.510 0.005 0.000 1.156 1101 N CA -0.524 52.551 53.050 0.041 0.000 0.940 1101 N CB 1.479 39.981 38.487 0.026 0.000 1.200 1101 N HN 0.189 nan 8.380 nan 0.000 0.511 1102 A N 1.157 123.961 122.820 -0.026 0.000 2.507 1102 A HA 0.179 4.483 4.320 -0.026 0.000 0.235 1102 A C -0.244 177.339 177.584 -0.002 0.000 1.070 1102 A CA 0.122 52.142 52.037 -0.028 0.000 0.768 1102 A CB -0.054 18.930 19.000 -0.028 0.000 1.011 1102 A HN 0.510 nan 8.150 nan 0.000 0.502 1103 I N 2.428 123.003 120.570 0.009 0.000 2.321 1103 I HA 0.248 4.402 4.170 -0.026 0.000 0.291 1103 I C -0.030 176.105 176.117 0.031 0.000 0.998 1103 I CA -0.269 61.046 61.300 0.025 0.000 1.227 1103 I CB 0.795 38.821 38.000 0.042 0.000 1.368 1103 I HN 0.429 nan 8.210 nan 0.000 0.466 1104 I N 6.628 127.212 120.570 0.024 0.000 2.325 1104 I HA 0.233 4.387 4.170 -0.026 0.000 0.291 1104 I C 0.314 176.447 176.117 0.027 0.000 1.019 1104 I CA -0.747 60.568 61.300 0.025 0.000 1.302 1104 I CB 1.128 39.139 38.000 0.018 0.000 1.401 1104 I HN 0.153 nan 8.210 nan 0.000 0.485 1105 V N 5.932 125.865 119.914 0.032 0.000 2.843 1105 V HA -0.038 4.066 4.120 -0.026 0.000 0.305 1105 V C 0.806 176.915 176.094 0.026 0.000 1.065 1105 V CA -0.498 61.819 62.300 0.027 0.000 1.116 1105 V CB 0.644 32.486 31.823 0.032 0.000 0.968 1105 V HN 0.902 nan 8.190 nan 0.000 0.487 1106 E N 6.666 126.879 120.200 0.022 0.000 2.414 1106 E HA 0.023 4.357 4.350 -0.026 0.000 0.263 1106 E C -1.859 174.766 176.600 0.041 0.000 1.000 1106 E CA -1.112 55.304 56.400 0.027 0.000 0.914 1106 E CB 0.709 30.424 29.700 0.024 0.000 0.948 1106 E HN 0.394 nan 8.360 nan 0.000 0.444 1107 P HA -0.283 nan 4.420 nan 0.000 0.217 1107 P C 1.183 178.523 177.300 0.066 0.000 1.151 1107 P CA 1.872 64.998 63.100 0.044 0.000 0.849 1107 P CB 0.014 31.733 31.700 0.031 0.000 0.787 1108 E N 0.965 121.210 120.200 0.074 0.000 2.153 1108 E HA -0.197 4.137 4.350 -0.026 0.000 0.194 1108 E C 0.792 177.516 176.600 0.207 0.000 0.988 1108 E CA 1.160 57.625 56.400 0.108 0.000 0.811 1108 E CB -0.186 29.574 29.700 0.100 0.000 0.746 1108 E HN 0.293 nan 8.360 nan 0.000 0.466 1109 K N 0.808 121.323 120.400 0.191 0.000 2.498 1109 K HA 0.253 4.557 4.320 -0.026 0.000 0.207 1109 K C -0.032 176.696 176.600 0.213 0.000 1.033 1109 K CA -0.318 56.144 56.287 0.292 0.000 1.138 1109 K CB 0.632 33.113 32.500 -0.032 0.000 0.860 1109 K HN -0.040 nan 8.250 nan 0.000 0.490 1110 R N 1.071 121.663 120.500 0.153 0.000 2.539 1110 R HA 0.321 4.645 4.340 -0.026 0.000 0.275 1110 R C 0.452 176.824 176.300 0.119 0.000 1.077 1110 R CA -0.194 55.970 56.100 0.106 0.000 1.097 1110 R CB 1.015 31.354 30.300 0.065 0.000 1.018 1110 R HN 0.204 nan 8.270 nan 0.000 0.483 1111 G N 0.090 108.948 108.800 0.097 0.000 3.015 1111 G HA2 0.245 4.189 3.960 -0.026 0.000 0.281 1111 G HA3 0.245 4.189 3.960 -0.026 0.000 0.281 1111 G C -0.242 174.664 174.900 0.010 0.000 1.386 1111 G CA -0.766 44.382 45.100 0.080 0.000 0.959 1111 G HN 0.606 nan 8.290 nan 0.000 0.522 1112 K N -1.169 119.170 120.400 -0.101 0.000 2.404 1112 K HA 0.239 4.543 4.320 -0.026 0.000 0.194 1112 K C -0.702 175.719 176.600 -0.297 0.000 1.023 1112 K CA 0.042 56.190 56.287 -0.232 0.000 1.094 1112 K CB 0.036 32.328 32.500 -0.347 0.000 0.841 1112 K HN 0.331 nan 8.250 nan 0.000 0.523 1113 Y N 0.761 121.092 120.300 0.051 0.000 2.419 1113 Y HA 0.345 4.880 4.550 -0.025 0.000 0.328 1113 Y C 0.122 176.071 175.900 0.081 0.000 1.162 1113 Y CA -1.286 56.852 58.100 0.064 0.000 1.174 1113 Y CB 1.639 40.128 38.460 0.049 0.000 1.228 1113 Y HN -0.305 nan 8.280 nan 0.000 0.473 1114 V N 3.465 123.561 119.914 0.303 0.000 2.435 1114 V HA 0.522 4.626 4.120 -0.026 0.000 0.290 1114 V C -0.649 175.614 176.094 0.283 0.000 1.030 1114 V CA -0.817 61.633 62.300 0.249 0.000 0.881 1114 V CB 1.383 33.340 31.823 0.222 0.000 0.983 1114 V HN 0.504 nan 8.190 nan 0.000 0.445 1115 V N 3.447 123.510 119.914 0.249 0.000 2.531 1115 V HA 0.425 4.529 4.120 -0.026 0.000 0.301 1115 V C -0.383 175.907 176.094 0.326 0.000 1.034 1115 V CA -0.501 61.962 62.300 0.272 0.000 0.865 1115 V CB 1.851 33.809 31.823 0.225 0.000 0.995 1115 V HN 0.964 nan 8.190 nan 0.000 0.424 1116 C N 6.088 125.586 119.300 0.330 0.000 2.322 1116 C HA 0.909 5.353 4.460 -0.026 0.000 0.324 1116 C C -0.295 174.909 174.990 0.358 0.000 1.284 1116 C CA -0.777 58.404 59.018 0.272 0.000 1.606 1116 C CB -0.270 27.657 27.740 0.312 0.000 2.251 1116 C HN 0.856 nan 8.230 nan 0.000 0.502 1117 F N 0.365 120.391 119.950 0.127 0.000 2.668 1117 F HA 0.626 5.139 4.527 -0.024 0.000 0.309 1117 F C -1.098 174.698 175.800 -0.006 0.000 1.117 1117 F CA -1.066 57.013 58.000 0.132 0.000 0.951 1117 F CB 1.001 40.070 39.000 0.116 0.000 1.323 1117 F HN 0.324 nan 8.300 nan 0.000 0.451 1118 D N 3.471 124.046 120.400 0.293 0.000 2.454 1118 D HA 0.397 5.021 4.640 -0.026 0.000 0.225 1118 D C -1.821 174.666 176.300 0.312 0.000 1.081 1118 D CA -2.712 51.403 54.000 0.192 0.000 0.864 1118 D CB 1.772 42.732 40.800 0.267 0.000 1.040 1118 D HN 0.274 nan 8.370 nan 0.000 0.517 1119 P HA -0.030 nan 4.420 nan 0.000 0.218 1119 P C 0.148 177.586 177.300 0.230 0.000 1.149 1119 P CA 0.284 63.579 63.100 0.325 0.000 0.817 1119 P CB 0.709 32.590 31.700 0.302 0.000 0.785 1120 L N 0.142 121.478 121.223 0.188 0.000 2.446 1120 L HA 0.460 4.784 4.340 -0.026 0.000 0.268 1120 L C -1.335 175.624 176.870 0.148 0.000 0.975 1120 L CA -0.936 54.013 54.840 0.181 0.000 0.848 1120 L CB 1.736 43.879 42.059 0.141 0.000 1.225 1120 L HN -0.284 nan 8.230 nan 0.000 0.410 1121 D N 3.374 123.860 120.400 0.144 0.000 2.192 1121 D HA 0.674 5.298 4.640 -0.026 0.000 0.246 1121 D C 0.679 177.024 176.300 0.075 0.000 1.042 1121 D CA 0.622 54.681 54.000 0.098 0.000 0.847 1121 D CB 1.548 42.390 40.800 0.070 0.000 1.186 1121 D HN 0.864 nan 8.370 nan 0.000 0.461 1122 G N 2.416 111.253 108.800 0.062 0.000 2.173 1122 G HA2 -0.258 3.686 3.960 -0.026 0.000 0.174 1122 G HA3 -0.258 3.686 3.960 -0.026 0.000 0.174 1122 G C 0.998 175.934 174.900 0.059 0.000 1.025 1122 G CA 0.501 45.630 45.100 0.047 0.000 0.706 1122 G HN 0.829 nan 8.290 nan 0.000 0.499 1123 S N -0.072 115.669 115.700 0.068 0.000 2.419 1123 S HA -0.126 4.328 4.470 -0.026 0.000 0.235 1123 S C 2.646 177.277 174.600 0.052 0.000 1.019 1123 S CA 2.072 60.311 58.200 0.066 0.000 0.982 1123 S CB -0.357 62.883 63.200 0.067 0.000 0.789 1123 S HN 1.895 nan 8.310 nan 0.000 0.490 1124 S N 1.697 117.429 115.700 0.054 0.000 2.447 1124 S HA 0.047 4.502 4.470 -0.026 0.000 0.233 1124 S C 1.512 176.127 174.600 0.024 0.000 1.006 1124 S CA 0.793 59.020 58.200 0.046 0.000 0.957 1124 S CB -0.586 62.656 63.200 0.070 0.000 0.773 1124 S HN 0.554 nan 8.310 nan 0.000 0.507 1125 N N 0.807 119.520 118.700 0.022 0.000 2.280 1125 N HA 0.279 5.003 4.740 -0.026 0.000 0.192 1125 N C 1.053 176.559 175.510 -0.006 0.000 1.109 1125 N CA -0.039 53.013 53.050 0.003 0.000 0.855 1125 N CB 0.020 38.509 38.487 0.004 0.000 0.974 1125 N HN 0.341 nan 8.380 nan 0.000 0.482 1126 I N 1.251 121.824 120.570 0.005 0.000 2.113 1126 I HA -0.215 3.939 4.170 -0.026 0.000 0.238 1126 I C 1.272 177.310 176.117 -0.132 0.000 1.070 1126 I CA 1.469 62.778 61.300 0.015 0.000 1.332 1126 I CB -0.763 37.281 38.000 0.073 0.000 1.044 1126 I HN -0.002 nan 8.210 nan 0.000 0.402 1127 D N 0.167 120.432 120.400 -0.226 0.000 2.310 1127 D HA -0.103 4.521 4.640 -0.026 0.000 0.212 1127 D C 1.861 177.935 176.300 -0.376 0.000 0.965 1127 D CA 0.841 54.553 54.000 -0.480 0.000 0.879 1127 D CB -0.143 40.486 40.800 -0.284 0.000 0.921 1127 D HN 0.521 nan 8.370 nan 0.000 0.510 1128 C N -1.045 118.140 119.300 -0.193 0.000 2.780 1128 C HA 0.446 4.890 4.460 -0.026 0.000 0.287 1128 C C 0.996 175.934 174.990 -0.086 0.000 1.288 1128 C CA -0.658 58.284 59.018 -0.125 0.000 1.713 1128 C CB -1.127 26.572 27.740 -0.069 0.000 1.955 1128 C HN 0.168 nan 8.230 nan 0.000 0.613 1129 L N -0.383 120.785 121.223 -0.091 0.000 4.496 1129 L HA -0.139 4.185 4.340 -0.026 0.000 0.419 1129 L C 0.403 177.278 176.870 0.009 0.000 1.139 1129 L CA 0.561 55.393 54.840 -0.014 0.000 0.975 1129 L CB -2.177 39.880 42.059 -0.002 0.000 2.099 1129 L HN 0.452 nan 8.230 nan 0.000 0.818 1130 V N -0.398 119.515 119.914 -0.002 0.000 2.834 1130 V HA 0.344 4.448 4.120 -0.026 0.000 0.301 1130 V C 1.287 177.395 176.094 0.024 0.000 1.066 1130 V CA -0.177 62.126 62.300 0.006 0.000 1.052 1130 V CB 1.721 33.539 31.823 -0.008 0.000 1.021 1130 V HN 0.337 nan 8.190 nan 0.000 0.480 1131 S N 4.213 119.924 115.700 0.019 0.000 2.642 1131 S HA 0.121 4.575 4.470 -0.026 0.000 0.308 1131 S C -0.129 174.494 174.600 0.038 0.000 1.255 1131 S CA 0.332 58.549 58.200 0.029 0.000 1.057 1131 S CB -0.480 62.713 63.200 -0.012 0.000 0.785 1131 S HN 0.559 nan 8.310 nan 0.000 0.500 1132 I N -0.597 120.034 120.570 0.102 0.000 3.457 1132 I HA 1.065 5.219 4.170 -0.026 0.000 0.307 1132 I C 0.312 176.518 176.117 0.147 0.000 1.138 1132 I CA -1.102 60.276 61.300 0.131 0.000 0.974 1132 I CB 1.937 40.048 38.000 0.184 0.000 1.324 1132 I HN 0.645 nan 8.210 nan 0.000 0.485 1133 G N -0.226 108.667 108.800 0.155 0.000 2.554 1133 G HA2 0.640 4.584 3.960 -0.026 0.000 0.306 1133 G HA3 0.640 4.584 3.960 -0.026 0.000 0.306 1133 G C -1.745 173.216 174.900 0.102 0.000 1.320 1133 G CA -0.550 44.508 45.100 -0.070 0.000 0.800 1133 G HN 0.687 nan 8.290 nan 0.000 0.481 1134 T N 0.395 114.960 114.554 0.020 0.000 2.921 1134 T HA 0.623 4.957 4.350 -0.026 0.000 0.297 1134 T C -0.747 174.084 174.700 0.220 0.000 1.013 1134 T CA -0.155 62.054 62.100 0.180 0.000 0.990 1134 T CB 1.338 70.344 68.868 0.230 0.000 1.023 1134 T HN 0.488 nan 8.240 nan 0.000 0.447 1135 I N 4.066 124.791 120.570 0.259 0.000 2.509 1135 I HA 0.733 4.887 4.170 -0.026 0.000 0.293 1135 I C -0.964 175.356 176.117 0.337 0.000 1.020 1135 I CA -1.124 60.310 61.300 0.224 0.000 1.088 1135 I CB 1.585 39.671 38.000 0.143 0.000 1.267 1135 I HN 0.674 nan 8.210 nan 0.000 0.430 1136 F N 2.919 122.951 119.950 0.137 0.000 2.631 1136 F HA 0.946 5.457 4.527 -0.027 0.000 0.308 1136 F C -0.496 175.325 175.800 0.035 0.000 1.097 1136 F CA -0.847 57.225 58.000 0.120 0.000 0.952 1136 F CB 1.596 40.624 39.000 0.047 0.000 1.307 1136 F HN 0.438 nan 8.300 nan 0.000 0.450 1137 G N 2.848 111.725 108.800 0.129 0.000 2.638 1137 G HA2 0.698 4.642 3.960 -0.026 0.000 0.302 1137 G HA3 0.698 4.642 3.960 -0.026 0.000 0.302 1137 G C -2.010 172.825 174.900 -0.108 0.000 1.365 1137 G CA -0.957 44.069 45.100 -0.124 0.000 0.987 1137 G HN 0.620 nan 8.290 nan 0.000 0.495 1138 I N 1.297 121.686 120.570 -0.302 0.000 2.466 1138 I HA 0.393 4.547 4.170 -0.026 0.000 0.289 1138 I C -1.234 174.671 176.117 -0.354 0.000 1.026 1138 I CA -1.252 59.926 61.300 -0.203 0.000 1.078 1138 I CB 1.436 39.347 38.000 -0.147 0.000 1.249 1138 I HN 0.381 nan 8.210 nan 0.000 0.429 1139 Y N 4.130 124.498 120.300 0.114 0.000 2.446 1139 Y HA 0.523 5.058 4.550 -0.026 0.000 0.338 1139 Y C 0.666 176.710 175.900 0.240 0.000 1.055 1139 Y CA -0.771 57.405 58.100 0.127 0.000 1.101 1139 Y CB 1.603 40.107 38.460 0.073 0.000 1.221 1139 Y HN 0.395 nan 8.280 nan 0.000 0.460 1140 R N 2.132 122.830 120.500 0.331 0.000 2.308 1140 R HA 0.188 4.512 4.340 -0.026 0.000 0.305 1140 R C -0.145 176.199 176.300 0.073 0.000 1.053 1140 R CA -0.739 55.431 56.100 0.116 0.000 0.957 1140 R CB 0.715 31.035 30.300 0.035 0.000 1.022 1140 R HN 0.579 nan 8.270 nan 0.000 0.461 1141 K N 3.041 123.441 120.400 0.001 0.000 2.416 1141 K HA -0.065 4.239 4.320 -0.026 0.000 0.283 1141 K C -0.048 176.542 176.600 -0.015 0.000 1.037 1141 K CA -0.025 56.262 56.287 -0.000 0.000 0.995 1141 K CB 0.606 33.099 32.500 -0.013 0.000 0.938 1141 K HN 0.508 nan 8.250 nan 0.000 0.475 1142 N N 1.265 119.961 118.700 -0.007 0.000 2.255 1142 N HA -0.087 4.638 4.740 -0.026 0.000 0.192 1142 N C -0.045 175.457 175.510 -0.014 0.000 1.049 1142 N CA 0.786 53.831 53.050 -0.008 0.000 0.886 1142 N CB -0.675 37.809 38.487 -0.005 0.000 1.064 1142 N HN 0.734 nan 8.380 nan 0.000 0.457 1143 S N -0.340 115.351 115.700 -0.014 0.000 2.540 1143 S HA -0.078 4.376 4.470 -0.026 0.000 0.272 1143 S C 1.286 175.878 174.600 -0.013 0.000 1.357 1143 S CA 0.736 58.928 58.200 -0.014 0.000 1.011 1143 S CB 0.208 63.399 63.200 -0.015 0.000 0.852 1143 S HN 0.565 nan 8.310 nan 0.000 0.535 1144 T N -2.951 111.596 114.554 -0.011 0.000 3.001 1144 T HA 0.125 4.459 4.350 -0.026 0.000 0.251 1144 T C 0.393 175.088 174.700 -0.009 0.000 1.040 1144 T CA 0.154 62.248 62.100 -0.011 0.000 0.985 1144 T CB -0.493 68.369 68.868 -0.009 0.000 1.011 1144 T HN 0.824 nan 8.240 nan 0.000 0.509 1145 D N 1.328 121.723 120.400 -0.008 0.000 2.383 1145 D HA 0.090 4.714 4.640 -0.026 0.000 0.248 1145 D C -0.257 176.040 176.300 -0.005 0.000 1.170 1145 D CA -0.537 53.459 54.000 -0.006 0.000 0.977 1145 D CB 0.825 41.621 40.800 -0.007 0.000 1.120 1145 D HN 0.043 nan 8.370 nan 0.000 0.481 1146 E N 0.890 121.089 120.200 -0.003 0.000 2.502 1146 E HA 0.067 4.401 4.350 -0.026 0.000 0.261 1146 E C -1.774 174.826 176.600 -0.000 0.000 0.974 1146 E CA -1.033 55.367 56.400 -0.000 0.000 0.936 1146 E CB -0.061 29.640 29.700 0.001 0.000 0.926 1146 E HN 0.353 nan 8.360 nan 0.000 0.459 1147 P HA -0.063 nan 4.420 nan 0.000 0.262 1147 P C -0.460 176.843 177.300 0.004 0.000 1.182 1147 P CA 0.364 63.467 63.100 0.006 0.000 0.761 1147 P CB 0.581 32.289 31.700 0.014 0.000 0.795 1148 S N 0.284 115.984 115.700 -0.001 0.000 2.656 1148 S HA 0.214 4.668 4.470 -0.026 0.000 0.273 1148 S C 0.978 175.571 174.600 -0.011 0.000 1.168 1148 S CA -0.751 57.446 58.200 -0.005 0.000 0.817 1148 S CB 1.461 64.656 63.200 -0.008 0.000 1.146 1148 S HN 0.368 nan 8.310 nan 0.000 0.475 1149 E N 0.765 120.955 120.200 -0.016 0.000 2.147 1149 E HA -0.216 4.118 4.350 -0.026 0.000 0.199 1149 E C 1.731 178.306 176.600 -0.041 0.000 1.005 1149 E CA 1.482 57.865 56.400 -0.029 0.000 0.810 1149 E CB -0.142 29.538 29.700 -0.033 0.000 0.736 1149 E HN 0.602 nan 8.360 nan 0.000 0.460 1150 K N 0.356 120.733 120.400 -0.037 0.000 2.211 1150 K HA -0.187 4.117 4.320 -0.026 0.000 0.204 1150 K C 1.253 177.817 176.600 -0.060 0.000 1.047 1150 K CA 1.490 57.749 56.287 -0.047 0.000 0.935 1150 K CB 0.058 32.537 32.500 -0.036 0.000 0.728 1150 K HN 0.187 nan 8.250 nan 0.000 0.452 1151 D N -0.092 120.281 120.400 -0.046 0.000 2.264 1151 D HA -0.109 4.515 4.640 -0.026 0.000 0.208 1151 D C 1.409 177.655 176.300 -0.091 0.000 0.966 1151 D CA 0.833 54.801 54.000 -0.052 0.000 0.864 1151 D CB 0.211 41.001 40.800 -0.016 0.000 0.933 1151 D HN 0.296 nan 8.370 nan 0.000 0.499 1152 A N 0.326 123.097 122.820 -0.083 0.000 2.169 1152 A HA 0.059 4.363 4.320 -0.026 0.000 0.212 1152 A C 1.576 179.039 177.584 -0.201 0.000 1.153 1152 A CA 0.020 51.989 52.037 -0.113 0.000 0.756 1152 A CB -0.180 18.797 19.000 -0.040 0.000 0.813 1152 A HN 0.145 nan 8.150 nan 0.000 0.471 1153 L N 1.359 122.482 121.223 -0.167 0.000 2.727 1153 L HA 0.138 4.463 4.340 -0.026 0.000 0.237 1153 L C -0.136 176.617 176.870 -0.197 0.000 1.370 1153 L CA -0.119 54.627 54.840 -0.156 0.000 1.248 1153 L CB -0.377 41.623 42.059 -0.100 0.000 1.556 1153 L HN 0.447 nan 8.230 nan 0.000 0.420 1154 Q N 1.614 121.206 119.800 -0.346 0.000 2.266 1154 Q HA 0.439 4.763 4.340 -0.026 0.000 0.261 1154 Q C -2.263 173.584 176.000 -0.254 0.000 0.985 1154 Q CA -2.131 53.457 55.803 -0.359 0.000 0.873 1154 Q CB 1.736 30.106 28.738 -0.614 0.000 1.306 1154 Q HN 0.066 nan 8.270 nan 0.000 0.447 1155 P HA -0.056 nan 4.420 nan 0.000 0.268 1155 P C 0.397 177.777 177.300 0.134 0.000 1.205 1155 P CA 0.224 63.330 63.100 0.010 0.000 0.771 1155 P CB 0.675 32.391 31.700 0.027 0.000 0.858 1156 G N 3.697 112.604 108.800 0.178 0.000 2.499 1156 G HA2 -0.280 3.664 3.960 -0.026 0.000 0.221 1156 G HA3 -0.280 3.664 3.960 -0.026 0.000 0.221 1156 G C 1.394 176.432 174.900 0.229 0.000 1.109 1156 G CA 0.342 45.592 45.100 0.249 0.000 0.749 1156 G HN 0.647 nan 8.290 nan 0.000 0.568 1157 R N -0.014 120.598 120.500 0.186 0.000 2.237 1157 R HA 0.074 4.398 4.340 -0.026 0.000 0.219 1157 R C 1.286 177.704 176.300 0.198 0.000 1.080 1157 R CA 1.018 57.230 56.100 0.187 0.000 0.995 1157 R CB -0.327 30.049 30.300 0.126 0.000 0.875 1157 R HN 0.095 nan 8.270 nan 0.000 0.462 1158 N N 0.855 119.695 118.700 0.233 0.000 2.515 1158 N HA 0.089 4.813 4.740 -0.026 0.000 0.191 1158 N C -0.151 175.508 175.510 0.248 0.000 1.182 1158 N CA 0.279 53.483 53.050 0.257 0.000 0.879 1158 N CB 0.077 38.718 38.487 0.258 0.000 0.984 1158 N HN 0.200 nan 8.380 nan 0.000 0.453 1159 L N 0.204 121.436 121.223 0.015 0.000 2.453 1159 L HA 0.022 4.346 4.340 -0.026 0.000 0.272 1159 L C 1.405 178.086 176.870 -0.314 0.000 1.182 1159 L CA -0.198 54.343 54.840 -0.498 0.000 0.858 1159 L CB 1.064 42.491 42.059 -1.053 0.000 1.120 1159 L HN -0.076 nan 8.230 nan 0.000 0.474 1160 V N 2.662 122.421 119.914 -0.258 0.000 3.125 1160 V HA 0.253 4.357 4.120 -0.026 0.000 0.249 1160 V C 0.600 176.632 176.094 -0.104 0.000 1.113 1160 V CA 1.040 63.302 62.300 -0.063 0.000 1.106 1160 V CB 0.481 32.350 31.823 0.076 0.000 0.768 1160 V HN 0.847 nan 8.190 nan 0.000 0.468 1161 A N -0.808 121.844 122.820 -0.280 0.000 2.589 1161 A HA 0.908 5.212 4.320 -0.026 0.000 0.296 1161 A C -0.986 176.419 177.584 -0.297 0.000 1.062 1161 A CA 0.180 52.111 52.037 -0.177 0.000 0.686 1161 A CB 1.627 20.602 19.000 -0.042 0.000 1.282 1161 A HN 0.719 nan 8.150 nan 0.000 0.404 1162 A N -0.053 122.640 122.820 -0.212 0.000 2.610 1162 A HA 1.041 5.345 4.320 -0.026 0.000 0.291 1162 A C -0.056 177.192 177.584 -0.560 0.000 1.086 1162 A CA 0.169 51.957 52.037 -0.415 0.000 0.677 1162 A CB 1.020 19.790 19.000 -0.383 0.000 1.278 1162 A HN 2.776 nan 8.150 nan 0.000 0.414 1163 G N -1.120 106.946 108.800 -1.222 0.000 2.356 1163 G HA2 0.677 4.621 3.960 -0.026 0.000 0.281 1163 G HA3 0.677 4.621 3.960 -0.026 0.000 0.281 1163 G C -1.557 172.856 174.900 -0.812 0.000 1.246 1163 G CA 0.418 44.992 45.100 -0.876 0.000 0.889 1163 G HN 2.232 nan 8.290 nan 0.000 0.486 1164 Y N -2.255 117.856 120.300 -0.315 0.000 2.609 1164 Y HA 0.844 5.377 4.550 -0.028 0.000 0.336 1164 Y C -0.253 175.635 175.900 -0.021 0.000 1.129 1164 Y CA -1.367 56.670 58.100 -0.105 0.000 1.040 1164 Y CB 1.242 39.620 38.460 -0.137 0.000 1.310 1164 Y HN 1.303 nan 8.280 nan 0.000 0.460 1165 A N 2.443 125.331 122.820 0.114 0.000 2.276 1165 A HA 0.682 4.987 4.320 -0.026 0.000 0.316 1165 A C -1.687 175.689 177.584 -0.347 0.000 1.229 1165 A CA -0.648 51.301 52.037 -0.145 0.000 0.851 1165 A CB 0.958 19.823 19.000 -0.225 0.000 1.165 1165 A HN 0.860 nan 8.150 nan 0.000 0.513 1166 L N 3.397 124.444 121.223 -0.294 0.000 2.276 1166 L HA 0.557 4.881 4.340 -0.026 0.000 0.286 1166 L C -1.464 175.208 176.870 -0.330 0.000 1.024 1166 L CA -0.301 54.352 54.840 -0.312 0.000 0.826 1166 L CB 0.433 42.391 42.059 -0.168 0.000 1.211 1166 L HN 0.577 nan 8.230 nan 0.000 0.422 1167 Y N 5.313 125.639 120.300 0.043 0.000 2.636 1167 Y HA 0.577 5.110 4.550 -0.028 0.000 0.334 1167 Y C 1.026 176.936 175.900 0.016 0.000 1.286 1167 Y CA -0.226 57.896 58.100 0.037 0.000 1.688 1167 Y CB -0.143 38.344 38.460 0.046 0.000 1.662 1167 Y HN 0.692 nan 8.280 nan 0.000 0.465 1168 G N 0.361 109.214 108.800 0.089 0.000 3.194 1168 G HA2 0.178 4.123 3.960 -0.026 0.000 0.160 1168 G HA3 0.178 4.123 3.960 -0.026 0.000 0.160 1168 G C 1.057 175.988 174.900 0.052 0.000 1.267 1168 G CA 0.004 45.133 45.100 0.047 0.000 0.962 1168 G HN 0.380 nan 8.290 nan 0.000 0.612 1169 S N -0.666 115.053 115.700 0.032 0.000 2.402 1169 S HA 0.366 4.820 4.470 -0.026 0.000 0.229 1169 S C 1.055 175.676 174.600 0.034 0.000 1.021 1169 S CA 1.193 59.413 58.200 0.033 0.000 0.974 1169 S CB -0.279 62.937 63.200 0.027 0.000 0.800 1169 S HN 1.194 nan 8.310 nan 0.000 0.484 1170 A N 0.436 123.275 122.820 0.033 0.000 2.435 1170 A HA 0.721 5.025 4.320 -0.026 0.000 0.296 1170 A C -0.413 177.201 177.584 0.051 0.000 1.147 1170 A CA -0.711 51.347 52.037 0.036 0.000 0.775 1170 A CB 1.164 20.180 19.000 0.026 0.000 1.340 1170 A HN 0.200 nan 8.150 nan 0.000 0.427 1171 T N 1.340 115.937 114.554 0.073 0.000 2.767 1171 T HA 0.554 4.889 4.350 -0.026 0.000 0.288 1171 T C -0.459 174.313 174.700 0.120 0.000 0.963 1171 T CA 0.211 62.385 62.100 0.123 0.000 1.019 1171 T CB 0.502 69.499 68.868 0.214 0.000 0.923 1171 T HN 0.577 nan 8.240 nan 0.000 0.468 1172 M N 4.217 123.856 119.600 0.065 0.000 2.395 1172 M HA 0.551 5.015 4.480 -0.026 0.000 0.307 1172 M C -1.818 174.492 176.300 0.017 0.000 1.091 1172 M CA -0.969 54.364 55.300 0.054 0.000 0.919 1172 M CB 1.703 34.249 32.600 -0.090 0.000 1.662 1172 M HN 0.363 nan 8.290 nan 0.000 0.440 1173 L N 5.970 127.227 121.223 0.057 0.000 2.298 1173 L HA 0.627 4.951 4.340 -0.026 0.000 0.284 1173 L C -1.644 175.176 176.870 -0.083 0.000 1.013 1173 L CA -0.533 54.240 54.840 -0.111 0.000 0.824 1173 L CB 1.288 43.106 42.059 -0.403 0.000 1.221 1173 L HN 0.581 nan 8.230 nan 0.000 0.418 1174 V N 6.566 126.273 119.914 -0.346 0.000 2.370 1174 V HA 0.415 4.519 4.120 -0.026 0.000 0.283 1174 V C -0.278 175.623 176.094 -0.322 0.000 1.023 1174 V CA -0.639 61.396 62.300 -0.442 0.000 0.857 1174 V CB 1.934 33.186 31.823 -0.952 0.000 0.985 1174 V HN 0.596 nan 8.190 nan 0.000 0.443 1175 L N 5.361 126.538 121.223 -0.078 0.000 2.376 1175 L HA 0.910 5.234 4.340 -0.026 0.000 0.275 1175 L C -0.064 176.834 176.870 0.047 0.000 0.987 1175 L CA -0.254 54.602 54.840 0.025 0.000 0.828 1175 L CB 1.526 43.662 42.059 0.128 0.000 1.249 1175 L HN 0.691 nan 8.230 nan 0.000 0.409 1176 A N 6.422 129.277 122.820 0.058 0.000 2.318 1176 A HA 0.896 5.200 4.320 -0.026 0.000 0.324 1176 A C -0.569 177.176 177.584 0.268 0.000 1.170 1176 A CA -0.521 51.595 52.037 0.132 0.000 0.810 1176 A CB 0.845 19.919 19.000 0.124 0.000 1.198 1176 A HN 0.818 nan 8.150 nan 0.000 0.484 1177 M N 1.488 121.225 119.600 0.230 0.000 2.812 1177 M HA 0.295 4.759 4.480 -0.026 0.000 0.285 1177 M C 1.163 177.581 176.300 0.197 0.000 1.216 1177 M CA -0.664 54.788 55.300 0.253 0.000 0.749 1177 M CB 1.572 34.284 32.600 0.188 0.000 1.756 1177 M HN 0.439 nan 8.290 nan 0.000 0.439 1178 V N 0.921 120.944 119.914 0.182 0.000 2.392 1178 V HA -0.249 3.855 4.120 -0.026 0.000 0.249 1178 V C 0.933 177.063 176.094 0.060 0.000 1.059 1178 V CA 2.500 64.876 62.300 0.127 0.000 1.051 1178 V CB -0.565 31.327 31.823 0.116 0.000 0.658 1178 V HN 0.838 nan 8.190 nan 0.000 0.455 1179 N N -0.129 118.612 118.700 0.068 0.000 2.268 1179 N HA 0.463 5.187 4.740 -0.026 0.000 0.204 1179 N C 0.126 175.662 175.510 0.042 0.000 1.124 1179 N CA 0.514 53.591 53.050 0.044 0.000 0.838 1179 N CB 0.893 39.408 38.487 0.048 0.000 0.994 1179 N HN 0.643 nan 8.380 nan 0.000 0.489 1180 G N -0.675 108.150 108.800 0.041 0.000 2.356 1180 G HA2 0.161 4.105 3.960 -0.026 0.000 0.300 1180 G HA3 0.161 4.105 3.960 -0.026 0.000 0.300 1180 G C -1.922 173.000 174.900 0.036 0.000 1.331 1180 G CA -0.865 44.250 45.100 0.025 0.000 0.905 1180 G HN -0.083 nan 8.290 nan 0.000 0.587 1181 V N 1.427 121.341 119.914 0.000 0.000 2.513 1181 V HA 0.673 4.777 4.120 -0.026 0.000 0.299 1181 V C -0.442 175.606 176.094 -0.076 0.000 1.035 1181 V CA -1.012 61.272 62.300 -0.026 0.000 0.889 1181 V CB 1.656 33.451 31.823 -0.046 0.000 0.988 1181 V HN 0.677 nan 8.190 nan 0.000 0.440 1182 N N 1.931 120.549 118.700 -0.136 0.000 2.235 1182 N HA 0.480 5.204 4.740 -0.026 0.000 0.293 1182 N C -1.467 173.757 175.510 -0.476 0.000 1.083 1182 N CA -0.377 52.444 53.050 -0.383 0.000 0.801 1182 N CB 2.262 40.339 38.487 -0.683 0.000 1.559 1182 N HN 0.556 nan 8.380 nan 0.000 0.472 1183 C N 1.892 120.840 119.300 -0.588 0.000 2.329 1183 C HA 0.598 5.042 4.460 -0.026 0.000 0.329 1183 C C -0.510 174.091 174.990 -0.648 0.000 1.275 1183 C CA -0.634 58.139 59.018 -0.408 0.000 1.726 1183 C CB -1.234 26.411 27.740 -0.160 0.000 2.291 1183 C HN 0.546 nan 8.230 nan 0.000 0.514 1184 F N 3.056 122.956 119.950 -0.082 0.000 2.477 1184 F HA 0.514 5.023 4.527 -0.030 0.000 0.335 1184 F C 0.245 176.118 175.800 0.123 0.000 1.130 1184 F CA -0.613 57.392 58.000 0.008 0.000 0.948 1184 F CB 1.055 40.066 39.000 0.018 0.000 1.154 1184 F HN 0.460 nan 8.300 nan 0.000 0.439 1185 M N 4.588 124.320 119.600 0.219 0.000 2.233 1185 M HA 0.387 4.851 4.480 -0.026 0.000 0.355 1185 M C -0.802 175.566 176.300 0.113 0.000 1.191 1185 M CA -0.623 54.776 55.300 0.165 0.000 1.101 1185 M CB 0.995 33.633 32.600 0.065 0.000 1.592 1185 M HN 0.595 nan 8.290 nan 0.000 0.461 1186 L N 4.872 126.091 121.223 -0.006 0.000 2.500 1186 L HA 0.068 4.392 4.340 -0.026 0.000 0.272 1186 L C -0.410 176.345 176.870 -0.192 0.000 1.149 1186 L CA 0.330 54.953 54.840 -0.361 0.000 0.897 1186 L CB 0.208 42.043 42.059 -0.373 0.000 1.178 1186 L HN 0.718 nan 8.230 nan 0.000 0.473 1187 D N 7.763 128.044 120.400 -0.197 0.000 2.365 1187 D HA 0.177 4.802 4.640 -0.026 0.000 0.237 1187 D C -1.803 174.421 176.300 -0.127 0.000 1.190 1187 D CA -1.819 52.112 54.000 -0.114 0.000 0.867 1187 D CB 1.680 42.434 40.800 -0.076 0.000 1.050 1187 D HN 0.322 nan 8.370 nan 0.000 0.491 1188 P HA -0.007 nan 4.420 nan 0.000 0.223 1188 P C 0.974 178.234 177.300 -0.067 0.000 1.151 1188 P CA 0.533 63.582 63.100 -0.086 0.000 0.787 1188 P CB 0.267 31.933 31.700 -0.057 0.000 0.788 1189 A N 0.365 123.153 122.820 -0.055 0.000 1.930 1189 A HA -0.096 4.208 4.320 -0.026 0.000 0.217 1189 A C 1.925 179.482 177.584 -0.045 0.000 1.175 1189 A CA 1.663 53.675 52.037 -0.041 0.000 0.627 1189 A CB -1.221 17.760 19.000 -0.031 0.000 0.815 1189 A HN 0.374 nan 8.150 nan 0.000 0.443 1190 I N -5.556 114.980 120.570 -0.057 0.000 4.240 1190 I HA 0.513 4.667 4.170 -0.026 0.000 0.331 1190 I C 0.981 177.055 176.117 -0.072 0.000 1.381 1190 I CA 0.253 61.523 61.300 -0.051 0.000 1.136 1190 I CB 0.077 38.055 38.000 -0.036 0.000 1.137 1190 I HN 0.283 nan 8.210 nan 0.000 0.411 1191 G N 2.119 110.853 108.800 -0.111 0.000 2.350 1191 G HA2 -0.204 3.740 3.960 -0.026 0.000 0.298 1191 G HA3 -0.204 3.740 3.960 -0.026 0.000 0.298 1191 G C -0.372 174.431 174.900 -0.162 0.000 1.037 1191 G CA 0.238 45.247 45.100 -0.151 0.000 1.074 1191 G HN 0.568 nan 8.290 nan 0.000 0.511 1192 E N -0.926 119.151 120.200 -0.205 0.000 2.293 1192 E HA 0.494 4.828 4.350 -0.026 0.000 0.270 1192 E C -0.459 175.988 176.600 -0.256 0.000 0.879 1192 E CA -0.897 55.418 56.400 -0.142 0.000 0.756 1192 E CB 1.251 30.931 29.700 -0.035 0.000 1.208 1192 E HN 0.121 nan 8.360 nan 0.000 0.428 1193 F N 2.291 122.245 119.950 0.007 0.000 2.445 1193 F HA 0.248 4.772 4.527 -0.005 0.000 0.359 1193 F C 0.574 176.444 175.800 0.116 0.000 1.101 1193 F CA -0.354 57.673 58.000 0.045 0.000 1.177 1193 F CB 0.541 39.532 39.000 -0.015 0.000 1.110 1193 F HN 0.145 nan 8.300 nan 0.000 0.522 1194 I N 4.860 125.599 120.570 0.281 0.000 2.404 1194 I HA 0.190 4.344 4.170 -0.026 0.000 0.293 1194 I C -0.278 175.988 176.117 0.248 0.000 0.992 1194 I CA -1.115 60.329 61.300 0.240 0.000 1.149 1194 I CB 1.470 39.533 38.000 0.107 0.000 1.315 1194 I HN 0.369 nan 8.210 nan 0.000 0.446 1195 L N 7.236 128.599 121.223 0.234 0.000 2.562 1195 L HA 0.061 4.385 4.340 -0.026 0.000 0.271 1195 L C 0.473 177.259 176.870 -0.141 0.000 1.167 1195 L CA 0.955 55.712 54.840 -0.137 0.000 0.917 1195 L CB 0.609 42.615 42.059 -0.088 0.000 1.187 1195 L HN 0.497 nan 8.230 nan 0.000 0.482 1196 V N 3.097 122.871 119.914 -0.234 0.000 3.371 1196 V HA 0.274 4.378 4.120 -0.026 0.000 0.246 1196 V C -0.304 175.703 176.094 -0.145 0.000 1.303 1196 V CA 0.345 62.569 62.300 -0.128 0.000 1.156 1196 V CB 0.332 32.114 31.823 -0.069 0.000 0.929 1196 V HN 0.788 nan 8.190 nan 0.000 0.459 1197 D N 0.867 121.125 120.400 -0.236 0.000 2.620 1197 D HA 0.359 4.983 4.640 -0.026 0.000 0.252 1197 D C -0.661 175.487 176.300 -0.254 0.000 1.207 1197 D CA -0.282 53.608 54.000 -0.184 0.000 0.884 1197 D CB 2.255 42.981 40.800 -0.123 0.000 1.262 1197 D HN 0.056 nan 8.370 nan 0.000 0.552 1198 R N 1.568 121.970 120.500 -0.164 0.000 2.346 1198 R HA 0.156 4.480 4.340 -0.026 0.000 0.311 1198 R C -0.579 175.680 176.300 -0.068 0.000 0.983 1198 R CA -0.310 55.711 56.100 -0.131 0.000 0.880 1198 R CB 0.712 30.985 30.300 -0.046 0.000 1.100 1198 R HN 0.314 nan 8.270 nan 0.000 0.453 1199 D N 2.148 122.521 120.400 -0.046 0.000 2.737 1199 D HA -0.147 4.477 4.640 -0.026 0.000 0.238 1199 D C -0.932 175.350 176.300 -0.030 0.000 1.157 1199 D CA 0.519 54.513 54.000 -0.010 0.000 0.694 1199 D CB -0.450 40.361 40.800 0.018 0.000 1.021 1199 D HN 0.154 nan 8.370 nan 0.000 0.420 1200 V N 2.079 121.961 119.914 -0.052 0.000 2.585 1200 V HA 0.132 4.237 4.120 -0.026 0.000 0.296 1200 V C 0.914 176.988 176.094 -0.032 0.000 1.035 1200 V CA 0.302 62.574 62.300 -0.046 0.000 1.084 1200 V CB 1.303 33.092 31.823 -0.058 0.000 0.953 1200 V HN 0.095 nan 8.190 nan 0.000 0.483 1201 K N 4.545 124.931 120.400 -0.024 0.000 2.324 1201 K HA 0.555 4.859 4.320 -0.026 0.000 0.253 1201 K C -0.503 176.089 176.600 -0.013 0.000 0.932 1201 K CA -0.762 55.515 56.287 -0.018 0.000 0.799 1201 K CB 2.751 35.243 32.500 -0.012 0.000 1.154 1201 K HN 0.631 nan 8.250 nan 0.000 0.425 1202 I N 1.780 122.345 120.570 -0.008 0.000 2.581 1202 I HA 0.093 4.247 4.170 -0.026 0.000 0.288 1202 I C 0.108 176.230 176.117 0.009 0.000 1.047 1202 I CA -0.382 60.920 61.300 0.002 0.000 1.374 1202 I CB 0.717 38.722 38.000 0.009 0.000 1.423 1202 I HN 0.389 nan 8.210 nan 0.000 0.549 1203 K N 5.591 125.999 120.400 0.014 0.000 2.469 1203 K HA 0.000 4.304 4.320 -0.026 0.000 0.274 1203 K C 0.818 177.433 176.600 0.024 0.000 0.983 1203 K CA -0.282 56.014 56.287 0.014 0.000 0.974 1203 K CB 0.427 32.933 32.500 0.010 0.000 0.913 1203 K HN 0.427 nan 8.250 nan 0.000 0.493 1204 K N 1.775 122.189 120.400 0.023 0.000 2.097 1204 K HA -0.087 4.217 4.320 -0.026 0.000 0.205 1204 K C 0.341 176.972 176.600 0.052 0.000 1.050 1204 K CA 1.324 57.631 56.287 0.033 0.000 0.938 1204 K CB -0.009 32.507 32.500 0.027 0.000 0.718 1204 K HN 0.429 nan 8.250 nan 0.000 0.442 1205 K N -0.350 120.080 120.400 0.050 0.000 2.501 1205 K HA 0.408 4.712 4.320 -0.026 0.000 0.252 1205 K C -0.470 176.154 176.600 0.040 0.000 0.934 1205 K CA -0.465 55.867 56.287 0.076 0.000 0.797 1205 K CB 1.978 34.531 32.500 0.088 0.000 1.270 1205 K HN 0.064 nan 8.250 nan 0.000 0.431 1206 G N -0.085 108.743 108.800 0.046 0.000 2.971 1206 G HA2 0.395 4.340 3.960 -0.026 0.000 0.235 1206 G HA3 0.395 4.340 3.960 -0.026 0.000 0.235 1206 G C -0.292 174.410 174.900 -0.330 0.000 1.351 1206 G CA -0.398 44.669 45.100 -0.054 0.000 1.039 1206 G HN 0.611 nan 8.290 nan 0.000 0.563 1207 S N -1.439 113.982 115.700 -0.465 0.000 3.093 1207 S HA 0.422 4.876 4.470 -0.026 0.000 0.251 1207 S C -0.577 173.713 174.600 -0.517 0.000 0.905 1207 S CA -0.285 57.347 58.200 -0.947 0.000 1.124 1207 S CB -0.167 62.734 63.200 -0.498 0.000 1.124 1207 S HN 0.293 nan 8.310 nan 0.000 0.574 1208 I N 2.650 123.124 120.570 -0.160 0.000 2.533 1208 I HA 0.548 4.702 4.170 -0.026 0.000 0.290 1208 I C -0.872 175.474 176.117 0.382 0.000 1.056 1208 I CA -1.040 60.338 61.300 0.130 0.000 1.057 1208 I CB 1.781 39.842 38.000 0.101 0.000 1.240 1208 I HN 0.405 nan 8.210 nan 0.000 0.423 1209 Y N 3.124 123.605 120.300 0.302 0.000 2.429 1209 Y HA 0.859 5.394 4.550 -0.026 0.000 0.342 1209 Y C -0.396 175.632 175.900 0.214 0.000 1.004 1209 Y CA -1.260 57.005 58.100 0.276 0.000 1.075 1209 Y CB 1.915 40.513 38.460 0.230 0.000 1.214 1209 Y HN 0.487 nan 8.280 nan 0.000 0.455 1210 S N 5.534 121.377 115.700 0.237 0.000 2.707 1210 S HA 0.784 5.238 4.470 -0.026 0.000 0.312 1210 S C -1.739 172.966 174.600 0.175 0.000 1.116 1210 S CA -0.385 57.955 58.200 0.233 0.000 1.078 1210 S CB 0.277 63.731 63.200 0.423 0.000 0.997 1210 S HN 0.767 nan 8.310 nan 0.000 0.477 1211 I N 3.936 124.497 120.570 -0.015 0.000 2.947 1211 I HA 0.479 4.634 4.170 -0.026 0.000 0.301 1211 I C -1.538 174.014 176.117 -0.941 0.000 1.453 1211 I CA -0.789 60.263 61.300 -0.414 0.000 0.984 1211 I CB 2.112 39.992 38.000 -0.199 0.000 1.333 1211 I HN 0.663 nan 8.210 nan 0.000 0.475 1212 N N 4.292 122.322 118.700 -1.116 0.000 2.448 1212 N HA 0.183 4.907 4.740 -0.026 0.000 0.250 1212 N C 0.253 175.675 175.510 -0.146 0.000 1.136 1212 N CA 0.275 52.880 53.050 -0.742 0.000 0.953 1212 N CB 0.324 38.563 38.487 -0.412 0.000 1.251 1212 N HN 0.576 nan 8.380 nan 0.000 0.502 1213 E N 1.480 121.625 120.200 -0.091 0.000 2.516 1213 E HA -0.032 4.302 4.350 -0.026 0.000 0.199 1213 E C 1.434 177.951 176.600 -0.138 0.000 1.069 1213 E CA 0.107 56.543 56.400 0.059 0.000 0.876 1213 E CB 0.149 29.913 29.700 0.107 0.000 0.843 1213 E HN 0.708 nan 8.360 nan 0.000 0.530 1214 G N 0.518 109.167 108.800 -0.252 0.000 2.501 1214 G HA2 -0.239 3.705 3.960 -0.026 0.000 0.220 1214 G HA3 -0.239 3.705 3.960 -0.026 0.000 0.220 1214 G C 0.794 175.376 174.900 -0.530 0.000 1.114 1214 G CA 0.520 45.391 45.100 -0.383 0.000 0.757 1214 G HN 0.278 nan 8.290 nan 0.000 0.559 1215 Y N 0.377 120.419 120.300 -0.430 0.000 2.532 1215 Y HA 0.493 5.027 4.550 -0.027 0.000 0.283 1215 Y C 2.410 177.535 175.900 -1.292 0.000 1.181 1215 Y CA -0.662 57.031 58.100 -0.679 0.000 1.256 1215 Y CB -0.074 38.051 38.460 -0.558 0.000 1.112 1215 Y HN 0.203 nan 8.280 nan 0.000 0.521 1216 A N 0.800 123.066 122.820 -0.924 0.000 1.958 1216 A HA -0.328 3.976 4.320 -0.026 0.000 0.221 1216 A C 2.275 179.629 177.584 -0.383 0.000 1.178 1216 A CA 2.221 53.847 52.037 -0.684 0.000 0.642 1216 A CB -0.444 18.438 19.000 -0.195 0.000 0.816 1216 A HN 0.484 nan 8.150 nan 0.000 0.453 1217 K N -0.644 119.592 120.400 -0.273 0.000 2.283 1217 K HA -0.113 4.191 4.320 -0.026 0.000 0.202 1217 K C 1.032 177.568 176.600 -0.106 0.000 1.048 1217 K CA 1.519 57.724 56.287 -0.137 0.000 0.948 1217 K CB 0.048 32.489 32.500 -0.099 0.000 0.742 1217 K HN 0.404 nan 8.250 nan 0.000 0.458 1218 E N -0.212 119.890 120.200 -0.163 0.000 2.489 1218 E HA 0.057 4.391 4.350 -0.026 0.000 0.204 1218 E C -0.304 176.327 176.600 0.052 0.000 1.006 1218 E CA -0.090 56.279 56.400 -0.052 0.000 0.936 1218 E CB 0.149 29.834 29.700 -0.025 0.000 1.002 1218 E HN 0.106 nan 8.360 nan 0.000 0.488 1219 F N 3.158 123.109 119.950 0.001 0.000 2.553 1219 F HA 0.031 4.542 4.527 -0.027 0.000 0.356 1219 F C 1.198 176.968 175.800 -0.049 0.000 1.142 1219 F CA -1.399 56.584 58.000 -0.029 0.000 1.322 1219 F CB 0.056 39.031 39.000 -0.042 0.000 1.126 1219 F HN -0.090 nan 8.300 nan 0.000 0.599 1220 D N 2.376 122.857 120.400 0.135 0.000 2.358 1220 D HA 0.205 4.829 4.640 -0.026 0.000 0.244 1220 D C -2.241 173.985 176.300 -0.123 0.000 1.163 1220 D CA -1.688 52.309 54.000 -0.004 0.000 0.945 1220 D CB 0.160 40.952 40.800 -0.014 0.000 1.152 1220 D HN 0.124 nan 8.370 nan 0.000 0.451 1221 P HA -0.101 nan 4.420 nan 0.000 0.219 1221 P C 0.958 177.914 177.300 -0.573 0.000 1.146 1221 P CA 1.827 64.757 63.100 -0.284 0.000 0.808 1221 P CB -0.001 31.569 31.700 -0.217 0.000 0.779 1222 A N -0.908 121.445 122.820 -0.778 0.000 1.898 1222 A HA -0.088 4.217 4.320 -0.026 0.000 0.214 1222 A C 2.083 179.325 177.584 -0.569 0.000 1.183 1222 A CA 1.013 52.501 52.037 -0.914 0.000 0.622 1222 A CB -1.425 16.754 19.000 -1.368 0.000 0.824 1222 A HN 0.086 nan 8.150 nan 0.000 0.444 1223 I N -0.080 120.186 120.570 -0.507 0.000 2.208 1223 I HA -0.236 3.918 4.170 -0.026 0.000 0.245 1223 I C 2.597 178.575 176.117 -0.231 0.000 1.097 1223 I CA 1.837 62.916 61.300 -0.368 0.000 1.363 1223 I CB -0.550 37.128 38.000 -0.537 0.000 1.051 1223 I HN 0.224 nan 8.210 nan 0.000 0.413 1224 T N -0.298 114.160 114.554 -0.160 0.000 2.652 1224 T HA -0.267 4.067 4.350 -0.026 0.000 0.267 1224 T C 1.870 176.524 174.700 -0.077 0.000 1.039 1224 T CA 1.764 63.837 62.100 -0.045 0.000 1.153 1224 T CB -0.286 68.576 68.868 -0.009 0.000 0.863 1224 T HN 0.429 nan 8.240 nan 0.000 0.428 1225 E N -0.444 119.686 120.200 -0.116 0.000 2.085 1225 E HA -0.195 4.139 4.350 -0.026 0.000 0.194 1225 E C 2.026 178.582 176.600 -0.073 0.000 0.994 1225 E CA 1.138 57.491 56.400 -0.078 0.000 0.801 1225 E CB -0.210 29.456 29.700 -0.057 0.000 0.743 1225 E HN 0.606 nan 8.360 nan 0.000 0.453 1226 Y N 0.731 120.902 120.300 -0.215 0.000 2.145 1226 Y HA -0.233 4.301 4.550 -0.027 0.000 0.286 1226 Y C 1.919 177.653 175.900 -0.277 0.000 1.145 1226 Y CA 1.578 59.541 58.100 -0.228 0.000 1.148 1226 Y CB -0.256 38.063 38.460 -0.235 0.000 0.981 1226 Y HN 0.064 nan 8.280 nan 0.000 0.507 1227 I N 0.637 121.043 120.570 -0.272 0.000 2.163 1227 I HA -0.317 3.837 4.170 -0.026 0.000 0.243 1227 I C 2.499 178.403 176.117 -0.355 0.000 1.085 1227 I CA 1.723 62.765 61.300 -0.431 0.000 1.347 1227 I CB -1.380 36.496 38.000 -0.206 0.000 1.044 1227 I HN 0.276 nan 8.210 nan 0.000 0.408 1228 Q N 0.620 120.318 119.800 -0.170 0.000 2.096 1228 Q HA -0.205 4.119 4.340 -0.026 0.000 0.204 1228 Q C 2.464 178.436 176.000 -0.046 0.000 0.982 1228 Q CA 1.703 57.485 55.803 -0.035 0.000 0.850 1228 Q CB -0.259 28.458 28.738 -0.035 0.000 0.901 1228 Q HN 0.367 nan 8.270 nan 0.000 0.422 1229 R N -0.587 119.796 120.500 -0.195 0.000 2.115 1229 R HA -0.097 4.227 4.340 -0.026 0.000 0.230 1229 R C 1.607 177.685 176.300 -0.369 0.000 1.111 1229 R CA 1.118 57.079 56.100 -0.231 0.000 0.976 1229 R CB 0.121 30.260 30.300 -0.269 0.000 0.870 1229 R HN 0.061 nan 8.270 nan 0.000 0.445 1230 K N 0.690 120.723 120.400 -0.611 0.000 2.097 1230 K HA -0.111 4.193 4.320 -0.026 0.000 0.205 1230 K C 1.876 178.265 176.600 -0.351 0.000 1.050 1230 K CA 1.377 57.248 56.287 -0.693 0.000 0.938 1230 K CB -0.020 31.852 32.500 -1.048 0.000 0.718 1230 K HN 0.234 nan 8.250 nan 0.000 0.442 1231 K N -0.553 119.674 120.400 -0.288 0.000 2.076 1231 K HA 0.016 4.320 4.320 -0.026 0.000 0.204 1231 K C 0.295 176.604 176.600 -0.485 0.000 1.051 1231 K CA 0.775 56.884 56.287 -0.297 0.000 0.949 1231 K CB 0.100 32.484 32.500 -0.192 0.000 0.726 1231 K HN -0.032 nan 8.250 nan 0.000 0.443 1232 F N 1.883 121.764 119.950 -0.116 0.000 2.449 1232 F HA 0.273 4.784 4.527 -0.026 0.000 0.344 1232 F C -2.402 173.343 175.800 -0.091 0.000 1.180 1232 F CA -2.915 55.037 58.000 -0.079 0.000 1.209 1232 F CB 0.787 39.746 39.000 -0.067 0.000 1.440 1232 F HN -0.188 nan 8.300 nan 0.000 0.526 1233 P HA 0.075 nan 4.420 nan 0.000 0.268 1233 P C -1.877 175.436 177.300 0.020 0.000 1.204 1233 P CA -1.188 61.903 63.100 -0.016 0.000 0.768 1233 P CB 0.691 32.379 31.700 -0.019 0.000 0.842 1234 P HA -0.135 nan 4.420 nan 0.000 0.221 1234 P C 0.562 177.870 177.300 0.014 0.000 1.150 1234 P CA 1.415 64.522 63.100 0.012 0.000 0.800 1234 P CB 0.008 31.708 31.700 -0.001 0.000 0.787 1235 D N -1.272 119.136 120.400 0.012 0.000 2.325 1235 D HA -0.033 4.591 4.640 -0.026 0.000 0.225 1235 D C 0.262 176.572 176.300 0.018 0.000 1.096 1235 D CA -0.405 53.604 54.000 0.015 0.000 0.844 1235 D CB -1.016 39.794 40.800 0.016 0.000 0.925 1235 D HN -0.047 nan 8.370 nan 0.000 0.513 1236 N N -0.127 118.585 118.700 0.020 0.000 2.828 1236 N HA -0.196 4.528 4.740 -0.026 0.000 0.248 1236 N C -0.183 175.338 175.510 0.018 0.000 1.044 1236 N CA 1.112 54.174 53.050 0.020 0.000 0.851 1236 N CB -2.157 36.340 38.487 0.018 0.000 1.136 1236 N HN 0.577 nan 8.380 nan 0.000 0.572 1237 S N -0.510 115.204 115.700 0.024 0.000 2.580 1237 S HA 0.461 4.915 4.470 -0.026 0.000 0.261 1237 S C 0.908 175.526 174.600 0.031 0.000 1.366 1237 S CA -0.151 58.069 58.200 0.033 0.000 0.996 1237 S CB 1.144 64.378 63.200 0.057 0.000 0.902 1237 S HN 0.535 nan 8.310 nan 0.000 0.566 1238 A N 2.014 124.855 122.820 0.034 0.000 2.511 1238 A HA 0.474 4.778 4.320 -0.026 0.000 0.242 1238 A C -2.042 175.580 177.584 0.064 0.000 1.069 1238 A CA -1.149 50.904 52.037 0.027 0.000 0.763 1238 A CB -1.112 17.897 19.000 0.015 0.000 1.001 1238 A HN 0.707 nan 8.150 nan 0.000 0.498 1239 P HA 0.066 nan 4.420 nan 0.000 0.267 1239 P C -0.573 176.844 177.300 0.195 0.000 1.200 1239 P CA 0.250 63.380 63.100 0.050 0.000 0.772 1239 P CB 0.132 31.796 31.700 -0.061 0.000 0.855 1240 Y N 0.732 121.036 120.300 0.007 0.000 2.480 1240 Y HA 0.292 4.826 4.550 -0.026 0.000 0.338 1240 Y C 1.724 177.711 175.900 0.144 0.000 1.220 1240 Y CA -0.022 58.136 58.100 0.098 0.000 1.430 1240 Y CB -0.366 38.203 38.460 0.182 0.000 1.311 1240 Y HN 0.382 nan 8.280 nan 0.000 0.575 1241 G N 0.965 109.873 108.800 0.179 0.000 2.527 1241 G HA2 0.474 4.418 3.960 -0.026 0.000 0.248 1241 G HA3 0.474 4.418 3.960 -0.026 0.000 0.248 1241 G C -0.872 174.040 174.900 0.020 0.000 1.231 1241 G CA -0.190 44.968 45.100 0.095 0.000 0.838 1241 G HN 0.818 nan 8.290 nan 0.000 0.570 1242 A N 2.160 124.898 122.820 -0.136 0.000 2.317 1242 A HA 0.881 5.185 4.320 -0.026 0.000 0.327 1242 A C 0.077 177.546 177.584 -0.191 0.000 1.178 1242 A CA -0.747 51.018 52.037 -0.453 0.000 0.817 1242 A CB 1.178 19.851 19.000 -0.545 0.000 1.189 1242 A HN 0.581 nan 8.150 nan 0.000 0.489 1243 R N 0.730 121.142 120.500 -0.147 0.000 2.584 1243 R HA 0.371 4.695 4.340 -0.026 0.000 0.276 1243 R C -2.351 174.033 176.300 0.139 0.000 1.046 1243 R CA -0.432 55.673 56.100 0.008 0.000 0.906 1243 R CB 1.774 32.091 30.300 0.029 0.000 1.215 1243 R HN 0.772 nan 8.270 nan 0.000 0.449 1244 Y N 2.164 122.463 120.300 -0.003 0.000 2.379 1244 Y HA 0.143 4.678 4.550 -0.025 0.000 0.342 1244 Y C 0.615 176.550 175.900 0.057 0.000 1.126 1244 Y CA -0.406 57.728 58.100 0.057 0.000 1.310 1244 Y CB 0.928 39.419 38.460 0.052 0.000 1.115 1244 Y HN 0.363 nan 8.280 nan 0.000 0.505 1245 V N 3.064 122.887 119.914 -0.150 0.000 2.358 1245 V HA -0.056 4.048 4.120 -0.026 0.000 0.246 1245 V C 1.806 177.771 176.094 -0.214 0.000 1.047 1245 V CA 2.411 64.627 62.300 -0.140 0.000 1.035 1245 V CB -0.827 30.920 31.823 -0.127 0.000 0.658 1245 V HN 1.173 nan 8.190 nan 0.000 0.452 1246 G N -0.719 107.781 108.800 -0.500 0.000 2.179 1246 G HA2 -0.209 3.735 3.960 -0.026 0.000 0.220 1246 G HA3 -0.209 3.735 3.960 -0.026 0.000 0.220 1246 G C 0.302 175.107 174.900 -0.159 0.000 0.990 1246 G CA 0.163 45.043 45.100 -0.366 0.000 0.646 1246 G HN 0.498 nan 8.290 nan 0.000 0.517 1247 S N 0.577 116.175 115.700 -0.170 0.000 2.474 1247 S HA 0.543 4.997 4.470 -0.026 0.000 0.321 1247 S C 1.174 175.667 174.600 -0.178 0.000 1.080 1247 S CA 0.119 58.253 58.200 -0.109 0.000 1.106 1247 S CB 1.398 64.548 63.200 -0.084 0.000 0.984 1247 S HN 0.404 nan 8.310 nan 0.000 0.464 1248 M N 4.306 123.822 119.600 -0.140 0.000 2.106 1248 M HA -0.102 4.362 4.480 -0.026 0.000 0.259 1248 M C 1.858 177.899 176.300 -0.432 0.000 1.068 1248 M CA 2.025 57.149 55.300 -0.293 0.000 1.100 1248 M CB -0.235 32.280 32.600 -0.142 0.000 1.351 1248 M HN 0.564 nan 8.290 nan 0.000 0.404 1249 V N 0.572 120.286 119.914 -0.333 0.000 2.407 1249 V HA -0.199 3.906 4.120 -0.026 0.000 0.248 1249 V C 2.333 178.177 176.094 -0.418 0.000 1.055 1249 V CA 2.122 64.137 62.300 -0.475 0.000 1.049 1249 V CB -0.760 30.849 31.823 -0.357 0.000 0.662 1249 V HN 0.613 nan 8.190 nan 0.000 0.455 1250 A N -0.732 121.926 122.820 -0.270 0.000 1.897 1250 A HA -0.174 4.130 4.320 -0.026 0.000 0.215 1250 A C 2.015 179.471 177.584 -0.213 0.000 1.181 1250 A CA 1.694 53.616 52.037 -0.192 0.000 0.620 1250 A CB -0.644 18.276 19.000 -0.134 0.000 0.821 1250 A HN 0.623 nan 8.150 nan 0.000 0.443 1251 D N -0.161 120.063 120.400 -0.293 0.000 2.117 1251 D HA -0.090 4.534 4.640 -0.026 0.000 0.198 1251 D C 2.107 178.196 176.300 -0.351 0.000 0.982 1251 D CA 1.458 55.294 54.000 -0.274 0.000 0.828 1251 D CB -0.195 40.462 40.800 -0.239 0.000 0.967 1251 D HN 0.229 nan 8.370 nan 0.000 0.464 1252 V N 0.716 120.299 119.914 -0.552 0.000 2.358 1252 V HA -0.239 3.865 4.120 -0.026 0.000 0.246 1252 V C 2.338 178.288 176.094 -0.240 0.000 1.047 1252 V CA 1.624 63.670 62.300 -0.423 0.000 1.035 1252 V CB -0.624 30.898 31.823 -0.502 0.000 0.658 1252 V HN 0.205 nan 8.190 nan 0.000 0.452 1253 H N 0.576 119.444 119.070 -0.337 0.000 2.352 1253 H HA -0.180 4.362 4.556 -0.024 0.000 0.299 1253 H C 2.474 177.713 175.328 -0.149 0.000 1.097 1253 H CA 2.284 58.243 56.048 -0.149 0.000 1.311 1253 H CB -0.104 29.597 29.762 -0.102 0.000 1.377 1253 H HN 0.218 nan 8.280 nan 0.000 0.504 1254 R N -0.543 119.814 120.500 -0.238 0.000 2.096 1254 R HA -0.111 4.213 4.340 -0.026 0.000 0.235 1254 R C 1.778 177.929 176.300 -0.248 0.000 1.127 1254 R CA 1.749 57.613 56.100 -0.393 0.000 0.968 1254 R CB -0.208 29.878 30.300 -0.357 0.000 0.861 1254 R HN 0.380 nan 8.270 nan 0.000 0.440 1255 T N 1.927 116.406 114.554 -0.125 0.000 2.746 1255 T HA -0.171 4.163 4.350 -0.026 0.000 0.267 1255 T C 1.698 176.381 174.700 -0.028 0.000 1.039 1255 T CA 1.299 63.391 62.100 -0.013 0.000 1.142 1255 T CB -0.245 68.645 68.868 0.036 0.000 0.866 1255 T HN 0.185 nan 8.240 nan 0.000 0.444 1256 L N 2.155 123.316 121.223 -0.103 0.000 2.012 1256 L HA -0.065 4.259 4.340 -0.026 0.000 0.210 1256 L C 2.480 179.292 176.870 -0.097 0.000 1.073 1256 L CA 1.761 56.544 54.840 -0.096 0.000 0.748 1256 L CB -0.634 41.356 42.059 -0.115 0.000 0.891 1256 L HN 0.287 nan 8.230 nan 0.000 0.431 1257 V N -4.463 115.347 119.914 -0.174 0.000 3.174 1257 V HA -0.049 4.055 4.120 -0.026 0.000 0.254 1257 V C 1.933 178.169 176.094 0.237 0.000 1.120 1257 V CA 0.943 63.221 62.300 -0.038 0.000 1.114 1257 V CB -0.996 30.745 31.823 -0.136 0.000 0.756 1257 V HN 0.522 nan 8.190 nan 0.000 0.467 1258 Y N 1.519 121.768 120.300 -0.086 0.000 2.498 1258 Y HA 0.563 5.097 4.550 -0.026 0.000 0.259 1258 Y C 1.619 177.494 175.900 -0.040 0.000 1.086 1258 Y CA 0.017 58.084 58.100 -0.054 0.000 1.287 1258 Y CB 0.883 39.317 38.460 -0.043 0.000 1.146 1258 Y HN 0.543 nan 8.280 nan 0.000 0.523 1259 G N 0.239 109.119 108.800 0.133 0.000 2.712 1259 G HA2 0.242 4.186 3.960 -0.026 0.000 0.683 1259 G HA3 0.242 4.186 3.960 -0.026 0.000 0.683 1259 G C -0.068 174.896 174.900 0.106 0.000 1.320 1259 G CA -0.651 44.499 45.100 0.084 0.000 0.847 1259 G HN 0.994 nan 8.290 nan 0.000 0.553 1260 G N -1.411 107.460 108.800 0.118 0.000 2.428 1260 G HA2 0.473 4.417 3.960 -0.026 0.000 0.202 1260 G HA3 0.473 4.417 3.960 -0.026 0.000 0.202 1260 G C -0.765 174.269 174.900 0.224 0.000 1.247 1260 G CA 0.402 45.614 45.100 0.188 0.000 1.020 1260 G HN 2.385 nan 8.290 nan 0.000 0.529 1261 I N -0.550 120.194 120.570 0.289 0.000 2.686 1261 I HA 0.846 5.000 4.170 -0.026 0.000 0.295 1261 I C -1.310 175.000 176.117 0.322 0.000 1.114 1261 I CA -1.398 60.067 61.300 0.276 0.000 1.038 1261 I CB 1.855 40.019 38.000 0.273 0.000 1.238 1261 I HN 0.939 nan 8.210 nan 0.000 0.420 1262 F N 7.931 127.961 119.950 0.133 0.000 2.520 1262 F HA 0.808 5.320 4.527 -0.025 0.000 0.322 1262 F C -1.411 174.464 175.800 0.126 0.000 1.103 1262 F CA -0.643 57.441 58.000 0.141 0.000 0.926 1262 F CB 1.583 40.646 39.000 0.105 0.000 1.154 1262 F HN 0.332 nan 8.300 nan 0.000 0.453 1263 M N 6.887 126.019 119.600 -0.779 0.000 2.267 1263 M HA 0.272 4.736 4.480 -0.026 0.000 0.289 1263 M C -1.976 173.940 176.300 -0.640 0.000 1.043 1263 M CA -0.597 54.384 55.300 -0.532 0.000 0.928 1263 M CB 2.293 34.720 32.600 -0.289 0.000 1.613 1263 M HN 0.617 nan 8.290 nan 0.000 0.450 1264 Y N 4.820 124.873 120.300 -0.412 0.000 2.705 1264 Y HA 0.432 4.966 4.550 -0.027 0.000 0.355 1264 Y C -2.535 173.298 175.900 -0.110 0.000 1.039 1264 Y CA -2.129 55.860 58.100 -0.186 0.000 1.233 1264 Y CB 0.939 39.377 38.460 -0.037 0.000 1.103 1264 Y HN 0.335 nan 8.280 nan 0.000 0.624 1265 P HA 0.300 nan 4.420 nan 0.000 0.276 1265 P C -0.296 177.064 177.300 0.100 0.000 1.252 1265 P CA -0.285 62.828 63.100 0.022 0.000 0.802 1265 P CB 1.182 32.831 31.700 -0.086 0.000 1.035 1266 A N 1.991 124.852 122.820 0.068 0.000 2.448 1266 A HA 0.347 4.651 4.320 -0.026 0.000 0.239 1266 A C 0.522 178.165 177.584 0.098 0.000 1.080 1266 A CA 0.384 52.463 52.037 0.070 0.000 0.779 1266 A CB -0.850 18.177 19.000 0.046 0.000 1.026 1266 A HN 0.851 nan 8.150 nan 0.000 0.499 1267 N N -1.387 117.362 118.700 0.082 0.000 3.039 1267 N HA 0.282 5.006 4.740 -0.026 0.000 0.257 1267 N C -0.272 175.275 175.510 0.061 0.000 1.497 1267 N CA -0.698 52.413 53.050 0.102 0.000 0.861 1267 N CB 0.622 39.174 38.487 0.108 0.000 1.479 1267 N HN 0.345 nan 8.380 nan 0.000 0.547 1268 K N -0.393 120.041 120.400 0.057 0.000 2.281 1268 K HA -0.037 4.267 4.320 -0.026 0.000 0.203 1268 K C 0.451 177.068 176.600 0.028 0.000 1.046 1268 K CA 1.329 57.639 56.287 0.039 0.000 0.938 1268 K CB -0.106 32.412 32.500 0.031 0.000 0.737 1268 K HN 0.481 nan 8.250 nan 0.000 0.458 1269 K N -0.518 119.896 120.400 0.024 0.000 2.358 1269 K HA 0.152 4.456 4.320 -0.026 0.000 0.200 1269 K C -0.285 176.324 176.600 0.016 0.000 1.030 1269 K CA 0.043 56.342 56.287 0.021 0.000 1.097 1269 K CB 1.285 33.802 32.500 0.027 0.000 0.862 1269 K HN -0.161 nan 8.250 nan 0.000 0.534 1270 S N 1.869 117.577 115.700 0.014 0.000 2.389 1270 S HA 0.210 4.664 4.470 -0.026 0.000 0.201 1270 S C -2.379 172.232 174.600 0.018 0.000 1.422 1270 S CA -0.956 57.250 58.200 0.011 0.000 1.216 1270 S CB 1.535 64.735 63.200 0.001 0.000 1.130 1270 S HN -0.089 nan 8.310 nan 0.000 0.465 1271 P HA -0.069 nan 4.420 nan 0.000 0.216 1271 P C 0.780 178.085 177.300 0.008 0.000 1.150 1271 P CA 1.118 64.227 63.100 0.016 0.000 0.837 1271 P CB 0.219 31.925 31.700 0.011 0.000 0.786 1272 K N -0.878 119.522 120.400 0.000 0.000 2.437 1272 K HA 0.303 4.607 4.320 -0.026 0.000 0.205 1272 K C 0.812 177.404 176.600 -0.014 0.000 1.026 1272 K CA 0.189 56.469 56.287 -0.011 0.000 1.153 1272 K CB 0.027 32.516 32.500 -0.019 0.000 0.863 1272 K HN 0.131 nan 8.250 nan 0.000 0.502 1273 G N 1.702 110.507 108.800 0.007 0.000 2.698 1273 G HA2 -0.333 3.612 3.960 -0.026 0.000 0.233 1273 G HA3 -0.333 3.612 3.960 -0.026 0.000 0.233 1273 G C 0.141 175.004 174.900 -0.062 0.000 1.352 1273 G CA 0.167 45.280 45.100 0.021 0.000 0.879 1273 G HN 0.277 nan 8.290 nan 0.000 0.567 1274 K N -1.113 119.150 120.400 -0.227 0.000 2.306 1274 K HA 0.313 4.618 4.320 -0.026 0.000 0.200 1274 K C 1.351 177.777 176.600 -0.288 0.000 1.083 1274 K CA -0.115 55.986 56.287 -0.311 0.000 0.959 1274 K CB -0.026 32.140 32.500 -0.557 0.000 0.994 1274 K HN 0.490 nan 8.250 nan 0.000 0.492 1275 L N 2.958 123.957 121.223 -0.374 0.000 2.467 1275 L HA 0.138 4.462 4.340 -0.026 0.000 0.270 1275 L C -0.014 176.755 176.870 -0.168 0.000 1.205 1275 L CA -0.348 54.354 54.840 -0.230 0.000 0.828 1275 L CB 0.311 42.273 42.059 -0.161 0.000 1.101 1275 L HN 0.060 nan 8.230 nan 0.000 0.479 1276 R N 1.251 121.634 120.500 -0.195 0.000 2.254 1276 R HA 0.152 4.476 4.340 -0.026 0.000 0.318 1276 R C 0.659 176.747 176.300 -0.353 0.000 1.031 1276 R CA -0.548 55.353 56.100 -0.331 0.000 0.905 1276 R CB 0.883 30.821 30.300 -0.604 0.000 1.050 1276 R HN 0.449 nan 8.270 nan 0.000 0.456 1277 L N 3.732 124.795 121.223 -0.267 0.000 2.017 1277 L HA -0.123 4.201 4.340 -0.026 0.000 0.208 1277 L C 1.213 177.984 176.870 -0.165 0.000 1.073 1277 L CA 1.881 56.622 54.840 -0.166 0.000 0.745 1277 L CB -0.383 41.610 42.059 -0.109 0.000 0.894 1277 L HN 0.688 nan 8.230 nan 0.000 0.432 1278 L N -1.163 119.905 121.223 -0.259 0.000 2.005 1278 L HA -0.184 4.141 4.340 -0.026 0.000 0.207 1278 L C 2.229 179.103 176.870 0.006 0.000 1.072 1278 L CA 1.835 56.628 54.840 -0.079 0.000 0.744 1278 L CB -0.900 41.168 42.059 0.015 0.000 0.895 1278 L HN 0.489 nan 8.230 nan 0.000 0.433 1279 Y N -2.565 117.763 120.300 0.047 0.000 2.481 1279 Y HA 0.350 4.884 4.550 -0.026 0.000 0.247 1279 Y C 1.617 177.545 175.900 0.047 0.000 1.151 1279 Y CA -0.515 57.618 58.100 0.056 0.000 1.238 1279 Y CB -0.175 38.307 38.460 0.037 0.000 1.179 1279 Y HN 0.085 nan 8.280 nan 0.000 0.524 1280 E N -0.204 119.967 120.200 -0.048 0.000 2.756 1280 E HA 0.056 4.390 4.350 -0.026 0.000 0.192 1280 E C 1.504 178.091 176.600 -0.021 0.000 1.022 1280 E CA 0.759 57.154 56.400 -0.008 0.000 1.224 1280 E CB -0.316 29.366 29.700 -0.030 0.000 1.252 1280 E HN 0.314 nan 8.360 nan 0.000 0.494 1281 C N 1.462 120.734 119.300 -0.048 0.000 2.446 1281 C HA -0.006 4.438 4.460 -0.026 0.000 0.277 1281 C C 2.413 177.414 174.990 0.018 0.000 1.275 1281 C CA 0.772 59.789 59.018 -0.002 0.000 1.727 1281 C CB -1.226 26.508 27.740 -0.010 0.000 2.010 1281 C HN 0.442 nan 8.230 nan 0.000 0.486 1282 N N 1.235 119.945 118.700 0.016 0.000 2.084 1282 N HA -0.100 4.624 4.740 -0.026 0.000 0.190 1282 N C -1.024 174.516 175.510 0.050 0.000 1.030 1282 N CA 1.341 54.422 53.050 0.053 0.000 0.849 1282 N CB -0.697 37.841 38.487 0.085 0.000 1.012 1282 N HN 0.392 nan 8.380 nan 0.000 0.423 1283 P HA -0.152 nan 4.420 nan 0.000 0.215 1283 P C 1.124 178.453 177.300 0.048 0.000 1.153 1283 P CA 1.314 64.397 63.100 -0.028 0.000 0.853 1283 P CB 0.071 31.724 31.700 -0.077 0.000 0.788 1284 M N -1.315 118.309 119.600 0.041 0.000 2.254 1284 M HA 0.010 4.474 4.480 -0.026 0.000 0.265 1284 M C 2.118 178.461 176.300 0.073 0.000 1.066 1284 M CA 1.495 56.825 55.300 0.051 0.000 1.123 1284 M CB -1.833 30.757 32.600 -0.017 0.000 1.388 1284 M HN -0.109 nan 8.290 nan 0.000 0.425 1285 A N -0.622 122.246 122.820 0.081 0.000 1.933 1285 A HA -0.214 4.090 4.320 -0.026 0.000 0.218 1285 A C 2.149 179.791 177.584 0.097 0.000 1.175 1285 A CA 1.336 53.422 52.037 0.082 0.000 0.628 1285 A CB -1.050 17.997 19.000 0.079 0.000 0.814 1285 A HN 0.497 nan 8.150 nan 0.000 0.444 1286 Y N 0.466 120.762 120.300 -0.007 0.000 2.200 1286 Y HA -0.149 4.384 4.550 -0.027 0.000 0.290 1286 Y C 2.353 178.245 175.900 -0.014 0.000 1.137 1286 Y CA 1.815 59.906 58.100 -0.015 0.000 1.163 1286 Y CB -0.243 38.191 38.460 -0.044 0.000 0.988 1286 Y HN 0.068 nan 8.280 nan 0.000 0.518 1287 V N 0.140 120.116 119.914 0.103 0.000 2.282 1287 V HA -0.394 3.710 4.120 -0.026 0.000 0.249 1287 V C 2.442 178.518 176.094 -0.031 0.000 1.057 1287 V CA 2.106 64.421 62.300 0.025 0.000 1.032 1287 V CB -0.660 31.228 31.823 0.108 0.000 0.645 1287 V HN 0.443 nan 8.190 nan 0.000 0.447 1288 M N -0.640 118.961 119.600 0.002 0.000 2.117 1288 M HA -0.144 4.321 4.480 -0.026 0.000 0.262 1288 M C 2.218 178.491 176.300 -0.045 0.000 1.065 1288 M CA 1.652 56.949 55.300 -0.005 0.000 1.114 1288 M CB -1.096 31.518 32.600 0.023 0.000 1.361 1288 M HN 0.459 nan 8.290 nan 0.000 0.408 1289 E N -0.415 119.738 120.200 -0.078 0.000 2.106 1289 E HA -0.166 4.168 4.350 -0.026 0.000 0.192 1289 E C 1.901 178.410 176.600 -0.151 0.000 0.984 1289 E CA 0.713 57.052 56.400 -0.101 0.000 0.806 1289 E CB 0.047 29.687 29.700 -0.100 0.000 0.750 1289 E HN 0.302 nan 8.360 nan 0.000 0.458 1290 K N 0.314 120.564 120.400 -0.249 0.000 2.283 1290 K HA -0.020 4.285 4.320 -0.026 0.000 0.202 1290 K C 1.620 178.153 176.600 -0.112 0.000 1.048 1290 K CA 0.667 56.822 56.287 -0.220 0.000 0.948 1290 K CB -0.012 32.296 32.500 -0.320 0.000 0.742 1290 K HN 0.034 nan 8.250 nan 0.000 0.458 1291 A N 0.218 122.989 122.820 -0.082 0.000 2.259 1291 A HA 0.301 4.605 4.320 -0.026 0.000 0.208 1291 A C 1.178 178.742 177.584 -0.033 0.000 1.201 1291 A CA 0.794 52.803 52.037 -0.046 0.000 0.824 1291 A CB -0.301 18.681 19.000 -0.031 0.000 0.838 1291 A HN 0.338 nan 8.150 nan 0.000 0.485 1292 G N -2.142 106.634 108.800 -0.040 0.000 2.132 1292 G HA2 0.011 3.955 3.960 -0.026 0.000 0.234 1292 G HA3 0.011 3.955 3.960 -0.026 0.000 0.234 1292 G C 0.603 175.497 174.900 -0.010 0.000 0.989 1292 G CA 0.294 45.380 45.100 -0.023 0.000 0.676 1292 G HN 1.348 nan 8.290 nan 0.000 0.522 1293 G N -1.227 107.566 108.800 -0.011 0.000 2.887 1293 G HA2 0.845 4.789 3.960 -0.026 0.000 0.277 1293 G HA3 0.845 4.789 3.960 -0.026 0.000 0.277 1293 G C -0.296 174.607 174.900 0.005 0.000 1.346 1293 G CA -1.032 44.072 45.100 0.007 0.000 1.058 1293 G HN 0.661 nan 8.290 nan 0.000 0.535 1294 L N -0.945 120.288 121.223 0.018 0.000 2.309 1294 L HA 0.804 5.128 4.340 -0.026 0.000 0.261 1294 L C -0.228 176.657 176.870 0.024 0.000 1.021 1294 L CA -1.173 53.676 54.840 0.014 0.000 0.823 1294 L CB 2.473 44.538 42.059 0.010 0.000 1.366 1294 L HN 0.669 nan 8.230 nan 0.000 0.423 1295 A N 0.563 123.394 122.820 0.019 0.000 2.497 1295 A HA 0.652 4.956 4.320 -0.026 0.000 0.280 1295 A C -0.818 176.770 177.584 0.005 0.000 1.065 1295 A CA -0.334 51.719 52.037 0.027 0.000 0.781 1295 A CB 1.724 20.750 19.000 0.044 0.000 1.289 1295 A HN 0.561 nan 8.150 nan 0.000 0.415 1296 T N 0.120 114.664 114.554 -0.016 0.000 2.906 1296 T HA 0.583 4.917 4.350 -0.026 0.000 0.295 1296 T C 1.251 175.902 174.700 -0.083 0.000 1.075 1296 T CA 0.499 62.567 62.100 -0.055 0.000 1.005 1296 T CB 1.513 70.333 68.868 -0.080 0.000 1.136 1296 T HN 1.207 nan 8.240 nan 0.000 0.498 1297 T N -0.486 113.997 114.554 -0.120 0.000 3.100 1297 T HA 0.378 4.712 4.350 -0.026 0.000 0.253 1297 T C 1.579 176.093 174.700 -0.311 0.000 1.118 1297 T CA 1.084 63.093 62.100 -0.151 0.000 1.058 1297 T CB -0.129 68.663 68.868 -0.126 0.000 0.953 1297 T HN 1.472 nan 8.240 nan 0.000 0.515 1298 G N 1.348 109.906 108.800 -0.404 0.000 2.259 1298 G HA2 -0.210 3.734 3.960 -0.026 0.000 0.217 1298 G HA3 -0.210 3.734 3.960 -0.026 0.000 0.217 1298 G C 0.789 175.321 174.900 -0.613 0.000 1.001 1298 G CA 0.218 44.810 45.100 -0.846 0.000 0.627 1298 G HN 0.559 nan 8.290 nan 0.000 0.501 1299 K N 0.248 120.438 120.400 -0.349 0.000 2.538 1299 K HA 0.351 4.655 4.320 -0.026 0.000 0.215 1299 K C 0.407 176.940 176.600 -0.112 0.000 1.345 1299 K CA 0.712 56.883 56.287 -0.193 0.000 0.985 1299 K CB 1.071 33.479 32.500 -0.154 0.000 1.116 1299 K HN 0.666 nan 8.250 nan 0.000 0.582 1300 E N -0.117 120.020 120.200 -0.106 0.000 2.407 1300 E HA 0.586 4.920 4.350 -0.026 0.000 0.279 1300 E C -1.457 175.112 176.600 -0.051 0.000 1.012 1300 E CA -1.236 55.127 56.400 -0.062 0.000 0.800 1300 E CB 1.364 31.036 29.700 -0.046 0.000 1.276 1300 E HN -0.033 nan 8.360 nan 0.000 0.452 1301 A N 1.675 124.478 122.820 -0.027 0.000 2.488 1301 A HA 0.268 4.572 4.320 -0.026 0.000 0.249 1301 A C 1.052 178.634 177.584 -0.003 0.000 1.083 1301 A CA -0.370 51.660 52.037 -0.012 0.000 0.768 1301 A CB 0.655 19.656 19.000 0.001 0.000 1.017 1301 A HN 0.511 nan 8.150 nan 0.000 0.496 1302 V N 3.267 123.184 119.914 0.004 0.000 2.343 1302 V HA -0.245 3.859 4.120 -0.026 0.000 0.247 1302 V C 2.333 178.446 176.094 0.032 0.000 1.051 1302 V CA 2.226 64.534 62.300 0.012 0.000 1.036 1302 V CB -0.827 31.009 31.823 0.021 0.000 0.654 1302 V HN 0.842 nan 8.190 nan 0.000 0.451 1303 L N -0.265 120.990 121.223 0.053 0.000 2.353 1303 L HA -0.141 4.183 4.340 -0.026 0.000 0.220 1303 L C 1.833 178.743 176.870 0.066 0.000 1.133 1303 L CA 1.056 55.946 54.840 0.084 0.000 0.798 1303 L CB -0.494 41.632 42.059 0.111 0.000 0.922 1303 L HN 0.351 nan 8.230 nan 0.000 0.445 1304 D N -0.178 120.245 120.400 0.039 0.000 2.354 1304 D HA 0.165 4.789 4.640 -0.026 0.000 0.209 1304 D C 0.882 177.190 176.300 0.014 0.000 1.015 1304 D CA 0.230 54.246 54.000 0.027 0.000 0.867 1304 D CB 0.286 41.096 40.800 0.016 0.000 0.933 1304 D HN 0.213 nan 8.370 nan 0.000 0.520 1305 I N 1.299 121.874 120.570 0.009 0.000 2.710 1305 I HA -0.067 4.087 4.170 -0.026 0.000 0.286 1305 I C 0.289 176.402 176.117 -0.008 0.000 1.181 1305 I CA -0.079 61.218 61.300 -0.005 0.000 1.430 1305 I CB 0.972 38.965 38.000 -0.012 0.000 1.367 1305 I HN -0.347 nan 8.210 nan 0.000 0.577 1306 V N 8.616 128.520 119.914 -0.017 0.000 2.348 1306 V HA 0.221 4.325 4.120 -0.026 0.000 0.270 1306 V C -1.726 174.346 176.094 -0.036 0.000 1.037 1306 V CA -1.483 60.801 62.300 -0.028 0.000 0.872 1306 V CB 0.602 32.410 31.823 -0.026 0.000 1.002 1306 V HN 0.636 nan 8.190 nan 0.000 0.464 1307 P HA 0.204 nan 4.420 nan 0.000 0.271 1307 P C 0.503 177.773 177.300 -0.050 0.000 1.218 1307 P CA -0.044 63.025 63.100 -0.052 0.000 0.780 1307 P CB 1.106 32.766 31.700 -0.067 0.000 0.901 1308 T N -3.257 111.272 114.554 -0.041 0.000 2.975 1308 T HA 0.167 4.501 4.350 -0.026 0.000 0.261 1308 T C -0.032 174.648 174.700 -0.033 0.000 0.984 1308 T CA -0.019 62.061 62.100 -0.034 0.000 0.911 1308 T CB -0.007 68.847 68.868 -0.024 0.000 1.127 1308 T HN 0.380 nan 8.240 nan 0.000 0.514 1309 D N 1.437 121.815 120.400 -0.037 0.000 2.863 1309 D HA 0.273 4.897 4.640 -0.026 0.000 0.245 1309 D C 1.255 177.516 176.300 -0.065 0.000 1.211 1309 D CA -1.064 52.916 54.000 -0.032 0.000 0.888 1309 D CB 1.509 42.308 40.800 -0.002 0.000 1.483 1309 D HN 0.055 nan 8.370 nan 0.000 0.533 1310 I N 1.829 122.324 120.570 -0.125 0.000 2.756 1310 I HA -0.044 4.110 4.170 -0.026 0.000 0.262 1310 I C 0.084 176.067 176.117 -0.224 0.000 1.225 1310 I CA 1.334 62.512 61.300 -0.203 0.000 1.472 1310 I CB -0.801 37.009 38.000 -0.317 0.000 1.094 1310 I HN 0.381 nan 8.210 nan 0.000 0.454 1311 H N 1.598 120.703 119.070 0.057 0.000 2.487 1311 H HA 0.357 4.897 4.556 -0.027 0.000 0.290 1311 H C 0.287 175.602 175.328 -0.022 0.000 1.081 1311 H CA -0.338 55.751 56.048 0.068 0.000 1.116 1311 H CB 0.048 29.864 29.762 0.090 0.000 1.560 1311 H HN 0.540 nan 8.280 nan 0.000 0.548 1312 Q N 1.602 121.412 119.800 0.018 0.000 2.330 1312 Q HA 0.078 4.402 4.340 -0.026 0.000 0.279 1312 Q C -0.075 175.886 176.000 -0.065 0.000 1.024 1312 Q CA 0.056 55.846 55.803 -0.022 0.000 0.900 1312 Q CB 0.785 29.498 28.738 -0.042 0.000 1.221 1312 Q HN 0.344 nan 8.270 nan 0.000 0.396 1313 R N 1.257 121.726 120.500 -0.051 0.000 2.573 1313 R HA 0.749 5.073 4.340 -0.026 0.000 0.272 1313 R C -1.072 175.188 176.300 -0.066 0.000 1.009 1313 R CA -0.431 55.624 56.100 -0.075 0.000 1.059 1313 R CB 1.531 31.794 30.300 -0.061 0.000 1.112 1313 R HN 0.641 nan 8.270 nan 0.000 0.517 1314 A N 2.195 124.973 122.820 -0.071 0.000 2.520 1314 A HA 0.551 4.855 4.320 -0.026 0.000 0.298 1314 A C -2.686 174.878 177.584 -0.034 0.000 1.051 1314 A CA -1.849 50.159 52.037 -0.048 0.000 0.690 1314 A CB 1.640 20.614 19.000 -0.044 0.000 1.281 1314 A HN 0.376 nan 8.150 nan 0.000 0.402 1315 P HA 0.426 nan 4.420 nan 0.000 0.268 1315 P C -0.693 176.611 177.300 0.006 0.000 1.205 1315 P CA 0.269 63.371 63.100 0.005 0.000 0.771 1315 P CB 0.629 32.314 31.700 -0.024 0.000 0.858 1316 I N 2.567 123.166 120.570 0.049 0.000 2.656 1316 I HA 0.444 4.598 4.170 -0.026 0.000 0.292 1316 I C -1.532 174.614 176.117 0.048 0.000 1.144 1316 I CA -1.092 60.243 61.300 0.058 0.000 1.038 1316 I CB 1.444 39.515 38.000 0.118 0.000 1.244 1316 I HN 0.051 nan 8.210 nan 0.000 0.420 1317 I N 8.355 128.936 120.570 0.019 0.000 2.439 1317 I HA 0.485 4.639 4.170 -0.026 0.000 0.285 1317 I C -0.881 175.266 176.117 0.051 0.000 1.021 1317 I CA -0.277 61.023 61.300 0.000 0.000 1.091 1317 I CB 1.621 39.579 38.000 -0.070 0.000 1.242 1317 I HN 0.429 nan 8.210 nan 0.000 0.439 1318 L N 4.032 125.330 121.223 0.125 0.000 2.403 1318 L HA 1.176 5.500 4.340 -0.026 0.000 0.253 1318 L C 0.124 177.078 176.870 0.140 0.000 1.045 1318 L CA -0.299 54.616 54.840 0.126 0.000 0.845 1318 L CB 1.721 43.872 42.059 0.152 0.000 1.447 1318 L HN 0.779 nan 8.230 nan 0.000 0.411 1319 G N -0.569 108.292 108.800 0.102 0.000 2.250 1319 G HA2 0.034 3.978 3.960 -0.026 0.000 0.196 1319 G HA3 0.034 3.978 3.960 -0.026 0.000 0.196 1319 G C -0.915 174.031 174.900 0.077 0.000 1.308 1319 G CA -0.396 44.764 45.100 0.099 0.000 1.207 1319 G HN 0.863 nan 8.290 nan 0.000 0.505 1320 S N 3.443 119.198 115.700 0.092 0.000 2.546 1320 S HA 0.322 4.776 4.470 -0.026 0.000 0.290 1320 S C -0.542 174.101 174.600 0.072 0.000 1.290 1320 S CA 0.171 58.419 58.200 0.080 0.000 1.069 1320 S CB 1.525 64.785 63.200 0.099 0.000 0.846 1320 S HN 0.534 nan 8.310 nan 0.000 0.495 1321 P HA -0.170 nan 4.420 nan 0.000 0.215 1321 P C 0.883 178.214 177.300 0.051 0.000 1.153 1321 P CA 1.302 64.427 63.100 0.041 0.000 0.853 1321 P CB 0.195 31.913 31.700 0.029 0.000 0.788 1322 E N -0.498 119.741 120.200 0.065 0.000 2.204 1322 E HA -0.138 4.196 4.350 -0.026 0.000 0.194 1322 E C 1.755 178.418 176.600 0.105 0.000 0.989 1322 E CA 0.758 57.204 56.400 0.076 0.000 0.824 1322 E CB -0.295 29.453 29.700 0.080 0.000 0.756 1322 E HN 0.318 nan 8.360 nan 0.000 0.477 1323 D N 0.302 120.783 120.400 0.135 0.000 2.103 1323 D HA -0.099 4.525 4.640 -0.026 0.000 0.199 1323 D C 2.097 178.437 176.300 0.067 0.000 0.978 1323 D CA 0.815 54.926 54.000 0.185 0.000 0.829 1323 D CB -0.061 40.901 40.800 0.270 0.000 0.981 1323 D HN 0.021 nan 8.370 nan 0.000 0.464 1324 V N 1.220 121.154 119.914 0.034 0.000 2.515 1324 V HA -0.178 3.926 4.120 -0.026 0.000 0.250 1324 V C 2.442 178.512 176.094 -0.040 0.000 1.058 1324 V CA 1.614 63.893 62.300 -0.036 0.000 1.064 1324 V CB -0.577 31.243 31.823 -0.005 0.000 0.675 1324 V HN 0.203 nan 8.190 nan 0.000 0.461 1325 T N -0.536 114.020 114.554 0.003 0.000 2.867 1325 T HA -0.190 4.144 4.350 -0.026 0.000 0.268 1325 T C 1.854 176.564 174.700 0.017 0.000 1.057 1325 T CA 1.580 63.686 62.100 0.011 0.000 1.136 1325 T CB -0.109 68.774 68.868 0.026 0.000 0.874 1325 T HN 0.694 nan 8.240 nan 0.000 0.466 1326 E N 0.580 120.800 120.200 0.034 0.000 2.072 1326 E HA -0.134 4.200 4.350 -0.026 0.000 0.191 1326 E C 2.154 178.765 176.600 0.018 0.000 0.985 1326 E CA 0.816 57.256 56.400 0.067 0.000 0.801 1326 E CB -0.169 29.625 29.700 0.156 0.000 0.750 1326 E HN 0.269 nan 8.360 nan 0.000 0.452 1327 L N 1.015 122.145 121.223 -0.155 0.000 2.093 1327 L HA -0.070 4.254 4.340 -0.026 0.000 0.208 1327 L C 2.114 178.979 176.870 -0.009 0.000 1.085 1327 L CA 1.381 56.057 54.840 -0.273 0.000 0.755 1327 L CB -0.492 41.185 42.059 -0.635 0.000 0.904 1327 L HN 0.259 nan 8.230 nan 0.000 0.435 1328 L N -0.772 120.458 121.223 0.011 0.000 2.056 1328 L HA -0.212 4.112 4.340 -0.026 0.000 0.207 1328 L C 2.484 179.411 176.870 0.094 0.000 1.078 1328 L CA 1.302 56.183 54.840 0.068 0.000 0.749 1328 L CB -0.349 41.716 42.059 0.010 0.000 0.901 1328 L HN 0.329 nan 8.230 nan 0.000 0.433 1329 E N -0.034 120.202 120.200 0.061 0.000 2.097 1329 E HA -0.261 4.073 4.350 -0.026 0.000 0.196 1329 E C 2.134 178.786 176.600 0.086 0.000 1.000 1329 E CA 1.264 57.702 56.400 0.063 0.000 0.804 1329 E CB -0.002 29.728 29.700 0.049 0.000 0.740 1329 E HN 0.336 nan 8.360 nan 0.000 0.454 1330 I N 0.127 120.746 120.570 0.082 0.000 2.226 1330 I HA -0.243 3.911 4.170 -0.026 0.000 0.245 1330 I C 2.040 178.232 176.117 0.126 0.000 1.100 1330 I CA 1.474 62.832 61.300 0.097 0.000 1.374 1330 I CB -1.197 36.811 38.000 0.014 0.000 1.057 1330 I HN 0.157 nan 8.210 nan 0.000 0.413 1331 Y N 1.523 121.838 120.300 0.025 0.000 2.181 1331 Y HA -0.238 4.296 4.550 -0.027 0.000 0.288 1331 Y C 2.818 178.759 175.900 0.067 0.000 1.146 1331 Y CA 1.549 59.663 58.100 0.023 0.000 1.164 1331 Y CB -0.439 38.002 38.460 -0.032 0.000 0.982 1331 Y HN 0.276 nan 8.280 nan 0.000 0.515 1332 Q N 0.134 120.055 119.800 0.202 0.000 2.002 1332 Q HA -0.298 4.026 4.340 -0.026 0.000 0.204 1332 Q C 2.253 178.308 176.000 0.092 0.000 0.988 1332 Q CA 2.019 57.893 55.803 0.118 0.000 0.843 1332 Q CB -0.348 28.435 28.738 0.075 0.000 0.908 1332 Q HN 0.378 nan 8.270 nan 0.000 0.420 1333 K N 0.086 120.533 120.400 0.079 0.000 2.173 1333 K HA -0.219 4.085 4.320 -0.026 0.000 0.207 1333 K C 1.543 178.102 176.600 -0.067 0.000 1.046 1333 K CA 1.467 57.756 56.287 0.003 0.000 0.929 1333 K CB -0.030 32.468 32.500 -0.003 0.000 0.720 1333 K HN 0.380 nan 8.250 nan 0.000 0.453 1334 H N -0.625 118.444 119.070 -0.001 0.000 2.553 1334 H HA 0.195 4.735 4.556 -0.026 0.000 0.265 1334 H C 0.743 176.083 175.328 0.021 0.000 0.964 1334 H CA 0.181 56.223 56.048 -0.010 0.000 1.156 1334 H CB 0.372 30.099 29.762 -0.057 0.000 1.411 1334 H HN 0.288 nan 8.280 nan 0.000 0.558 1335 A N 0.000 122.896 122.820 0.126 0.000 2.254 1335 A HA 0.000 4.304 4.320 -0.026 0.000 0.244 1335 A CA 0.000 52.094 52.037 0.094 0.000 0.836 1335 A CB 0.000 19.047 19.000 0.078 0.000 0.831 1335 A HN 0.000 nan 8.150 nan 0.000 0.486