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 1fx6_1_A DATA FIRST_RESID 1002 DATA SEQUENCE EKFLVIAGPC AIESEELLLK VGEEIKRLSE KFKEVEFVFK SSFDKANRSS DATA SEQUENCE IHSFRGHGLE YGVKALRKVK EEFGLKITTD IHESWQAEPV AEVADIIQIP DATA SEQUENCE AFLCRQTDLL LAAAKTGRAV NVKKGQFLAP WDTKNVVEKL KFGGAKEIYL DATA SEQUENCE TERGTTFGYN NLVVDFRSLP IMKQWAKVIY DATHSVXXXX XXXXXXXXMR DATA SEQUENCE EFIFPLIRAA VAVGCDGVFM ETHPEPEKAL SDASTQLPLS QLEGIIEAIL DATA SEQUENCE EIREVASKYY ETI 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 1002 E HA 0.000 nan 4.350 nan 0.000 0.291 1002 E C 0.000 176.670 176.600 0.117 0.000 1.382 1002 E CA 0.000 56.454 56.400 0.090 0.000 0.976 1002 E CB 0.000 29.751 29.700 0.086 0.000 0.812 1003 K N 2.524 122.986 120.400 0.104 0.000 2.416 1003 K HA 0.158 4.478 4.320 0.000 0.000 0.283 1003 K C -0.217 176.468 176.600 0.141 0.000 1.037 1003 K CA -0.056 56.301 56.287 0.117 0.000 0.995 1003 K CB 0.205 32.757 32.500 0.086 0.000 0.938 1003 K HN 0.437 nan 8.250 nan 0.000 0.475 1004 F N 3.774 123.721 119.950 -0.006 0.000 2.518 1004 F HA 0.061 4.589 4.527 0.000 0.000 0.359 1004 F C 0.001 175.743 175.800 -0.096 0.000 1.118 1004 F CA -0.567 57.413 58.000 -0.033 0.000 1.287 1004 F CB 0.459 39.431 39.000 -0.048 0.000 1.132 1004 F HN 0.324 nan 8.300 nan 0.000 0.587 1005 L N 6.132 126.982 121.223 -0.621 0.000 2.309 1005 L HA 0.554 4.894 4.340 0.000 0.000 0.282 1005 L C -1.193 175.330 176.870 -0.577 0.000 1.036 1005 L CA -0.471 54.078 54.840 -0.485 0.000 0.806 1005 L CB 1.606 43.434 42.059 -0.386 0.000 1.220 1005 L HN 0.371 nan 8.230 nan 0.000 0.429 1006 V N 6.625 126.266 119.914 -0.456 0.000 2.380 1006 V HA 0.427 4.547 4.120 0.000 0.000 0.286 1006 V C -0.185 175.760 176.094 -0.248 0.000 1.015 1006 V CA -0.408 61.668 62.300 -0.373 0.000 0.834 1006 V CB 1.446 32.952 31.823 -0.528 0.000 1.009 1006 V HN 0.536 nan 8.190 nan 0.000 0.428 1007 I N 4.690 125.120 120.570 -0.233 0.000 2.312 1007 I HA 0.811 4.981 4.170 0.000 0.000 0.290 1007 I C 0.322 176.178 176.117 -0.435 0.000 1.008 1007 I CA -0.104 61.034 61.300 -0.270 0.000 1.226 1007 I CB 1.475 39.329 38.000 -0.242 0.000 1.371 1007 I HN 0.682 nan 8.210 nan 0.000 0.468 1008 A N 4.585 127.189 122.820 -0.359 0.000 2.606 1008 A HA 1.008 5.328 4.320 0.000 0.000 0.293 1008 A C -0.446 176.837 177.584 -0.502 0.000 1.082 1008 A CA -0.272 51.511 52.037 -0.424 0.000 0.685 1008 A CB 2.010 20.886 19.000 -0.206 0.000 1.284 1008 A HN 0.906 nan 8.150 nan 0.000 0.408 1009 G N -0.319 108.176 108.800 -0.509 0.000 2.337 1009 G HA2 0.526 4.486 3.960 0.000 0.000 0.298 1009 G HA3 0.526 4.486 3.960 0.000 0.000 0.298 1009 G C -3.555 171.117 174.900 -0.380 0.000 1.335 1009 G CA -0.236 44.475 45.100 -0.647 0.000 0.875 1009 G HN 0.727 nan 8.290 nan 0.000 0.579 1010 P HA 0.223 nan 4.420 nan 0.000 0.276 1010 P C 1.324 178.608 177.300 -0.027 0.000 1.230 1010 P CA -0.018 63.039 63.100 -0.072 0.000 0.776 1010 P CB 1.606 33.298 31.700 -0.014 0.000 0.888 1011 C N 3.552 122.877 119.300 0.043 0.000 2.367 1011 C HA -0.055 4.405 4.460 0.000 0.000 0.276 1011 C C 1.331 176.387 174.990 0.110 0.000 1.195 1011 C CA 1.786 60.857 59.018 0.088 0.000 1.756 1011 C CB -1.335 26.474 27.740 0.114 0.000 2.046 1011 C HN 0.701 nan 8.230 nan 0.000 0.453 1012 A N -0.556 122.353 122.820 0.148 0.000 2.337 1012 A HA 0.700 5.020 4.320 0.000 0.000 0.331 1012 A C -0.288 177.441 177.584 0.242 0.000 1.137 1012 A CA -0.576 51.589 52.037 0.212 0.000 0.807 1012 A CB 0.425 19.620 19.000 0.326 0.000 1.250 1012 A HN 0.462 nan 8.150 nan 0.000 0.468 1013 I N 2.433 123.184 120.570 0.300 0.000 2.268 1013 I HA 0.029 4.199 4.170 0.000 0.000 0.298 1013 I C 0.834 177.210 176.117 0.431 0.000 1.185 1013 I CA 0.233 61.749 61.300 0.359 0.000 1.548 1013 I CB -0.285 37.968 38.000 0.421 0.000 1.492 1013 I HN 0.851 nan 8.210 nan 0.000 0.711 1014 E N 2.668 123.059 120.200 0.319 0.000 2.204 1014 E HA -0.101 4.249 4.350 0.000 0.000 0.195 1014 E C 0.500 177.331 176.600 0.386 0.000 0.990 1014 E CA 0.679 57.235 56.400 0.261 0.000 0.821 1014 E CB 0.084 29.808 29.700 0.040 0.000 0.750 1014 E HN 0.698 nan 8.360 nan 0.000 0.477 1015 S N -1.307 114.605 115.700 0.353 0.000 2.597 1015 S HA 0.102 4.572 4.470 0.000 0.000 0.274 1015 S C 0.085 174.884 174.600 0.333 0.000 1.132 1015 S CA -0.882 57.526 58.200 0.346 0.000 0.835 1015 S CB 1.523 64.842 63.200 0.198 0.000 1.092 1015 S HN 0.075 nan 8.310 nan 0.000 0.457 1016 E N 0.608 121.006 120.200 0.330 0.000 2.268 1016 E HA -0.154 4.196 4.350 0.000 0.000 0.195 1016 E C 1.568 178.235 176.600 0.113 0.000 0.995 1016 E CA 1.316 57.809 56.400 0.156 0.000 0.836 1016 E CB -0.046 29.662 29.700 0.014 0.000 0.763 1016 E HN 0.733 nan 8.360 nan 0.000 0.491 1017 E N 0.285 120.554 120.200 0.116 0.000 2.028 1017 E HA -0.217 4.133 4.350 0.000 0.000 0.191 1017 E C 2.212 178.854 176.600 0.071 0.000 0.988 1017 E CA 1.001 57.448 56.400 0.078 0.000 0.799 1017 E CB -0.138 29.602 29.700 0.067 0.000 0.755 1017 E HN 0.276 nan 8.360 nan 0.000 0.447 1018 L N 0.873 122.141 121.223 0.076 0.000 2.013 1018 L HA -0.206 4.134 4.340 0.000 0.000 0.212 1018 L C 2.234 179.145 176.870 0.069 0.000 1.073 1018 L CA 1.565 56.421 54.840 0.027 0.000 0.753 1018 L CB -0.662 41.407 42.059 0.016 0.000 0.890 1018 L HN 0.225 nan 8.230 nan 0.000 0.432 1019 L N -0.781 120.533 121.223 0.151 0.000 2.042 1019 L HA -0.226 4.114 4.340 0.000 0.000 0.210 1019 L C 2.460 179.396 176.870 0.111 0.000 1.076 1019 L CA 1.826 56.814 54.840 0.247 0.000 0.749 1019 L CB -0.843 41.360 42.059 0.240 0.000 0.893 1019 L HN 0.283 nan 8.230 nan 0.000 0.432 1020 L N -1.042 120.229 121.223 0.080 0.000 2.201 1020 L HA -0.224 4.117 4.340 0.000 0.000 0.212 1020 L C 2.538 179.460 176.870 0.088 0.000 1.105 1020 L CA 1.074 55.988 54.840 0.123 0.000 0.775 1020 L CB -0.453 41.678 42.059 0.120 0.000 0.913 1020 L HN 0.300 nan 8.230 nan 0.000 0.440 1021 K N 0.042 120.469 120.400 0.044 0.000 2.062 1021 K HA -0.110 4.211 4.320 0.000 0.000 0.205 1021 K C 1.974 178.549 176.600 -0.041 0.000 1.051 1021 K CA 1.038 57.326 56.287 0.001 0.000 0.941 1021 K CB 0.161 32.654 32.500 -0.011 0.000 0.719 1021 K HN 0.055 nan 8.250 nan 0.000 0.440 1022 V N 0.586 120.502 119.914 0.004 0.000 2.453 1022 V HA -0.108 4.012 4.120 0.000 0.000 0.247 1022 V C 2.352 178.452 176.094 0.009 0.000 1.048 1022 V CA 1.974 64.293 62.300 0.031 0.000 1.049 1022 V CB -0.626 31.265 31.823 0.113 0.000 0.672 1022 V HN 0.584 nan 8.190 nan 0.000 0.457 1023 G N -0.509 108.257 108.800 -0.056 0.000 2.422 1023 G HA2 -0.296 3.664 3.960 0.000 0.000 0.218 1023 G HA3 -0.296 3.664 3.960 0.000 0.000 0.218 1023 G C 1.501 175.774 174.900 -1.044 0.000 1.146 1023 G CA 0.974 45.783 45.100 -0.485 0.000 0.769 1023 G HN 0.579 nan 8.290 nan 0.000 0.547 1024 E N 0.194 119.835 120.200 -0.932 0.000 2.058 1024 E HA -0.200 4.150 4.350 0.000 0.000 0.194 1024 E C 2.277 178.615 176.600 -0.436 0.000 0.997 1024 E CA 1.488 57.421 56.400 -0.778 0.000 0.801 1024 E CB -0.112 29.466 29.700 -0.203 0.000 0.746 1024 E HN 0.450 nan 8.360 nan 0.000 0.450 1025 E N 0.722 120.753 120.200 -0.281 0.000 2.047 1025 E HA -0.140 4.210 4.350 0.000 0.000 0.191 1025 E C 1.988 178.447 176.600 -0.234 0.000 0.987 1025 E CA 1.310 57.596 56.400 -0.190 0.000 0.799 1025 E CB -0.291 29.340 29.700 -0.116 0.000 0.752 1025 E HN 0.390 nan 8.360 nan 0.000 0.449 1026 I N 0.410 120.828 120.570 -0.254 0.000 2.264 1026 I HA -0.271 3.899 4.170 0.000 0.000 0.248 1026 I C 2.282 178.134 176.117 -0.441 0.000 1.111 1026 I CA 1.292 62.404 61.300 -0.312 0.000 1.382 1026 I CB -0.294 37.633 38.000 -0.122 0.000 1.060 1026 I HN 0.100 nan 8.210 nan 0.000 0.418 1027 K N 1.459 121.617 120.400 -0.403 0.000 2.057 1027 K HA -0.195 4.125 4.320 0.000 0.000 0.207 1027 K C 2.177 178.636 176.600 -0.234 0.000 1.049 1027 K CA 1.477 57.585 56.287 -0.297 0.000 0.931 1027 K CB -0.302 32.023 32.500 -0.291 0.000 0.714 1027 K HN 0.108 nan 8.250 nan 0.000 0.440 1028 R N 0.029 120.392 120.500 -0.228 0.000 2.081 1028 R HA -0.036 4.304 4.340 0.000 0.000 0.235 1028 R C 2.148 178.332 176.300 -0.193 0.000 1.131 1028 R CA 1.568 57.569 56.100 -0.164 0.000 0.960 1028 R CB -0.282 29.938 30.300 -0.133 0.000 0.856 1028 R HN 0.233 nan 8.270 nan 0.000 0.436 1029 L N 0.705 121.778 121.223 -0.250 0.000 2.141 1029 L HA -0.119 4.221 4.340 0.000 0.000 0.209 1029 L C 2.613 179.330 176.870 -0.255 0.000 1.094 1029 L CA 1.376 56.101 54.840 -0.191 0.000 0.763 1029 L CB -0.473 41.518 42.059 -0.113 0.000 0.908 1029 L HN 0.371 nan 8.230 nan 0.000 0.437 1030 S N -0.847 114.524 115.700 -0.548 0.000 2.402 1030 S HA -0.144 4.326 4.470 0.000 0.000 0.229 1030 S C 1.776 176.388 174.600 0.019 0.000 1.021 1030 S CA 0.724 58.776 58.200 -0.247 0.000 0.974 1030 S CB -0.186 62.892 63.200 -0.203 0.000 0.800 1030 S HN 0.353 nan 8.310 nan 0.000 0.484 1031 E N 1.643 121.803 120.200 -0.067 0.000 2.152 1031 E HA -0.008 4.342 4.350 0.000 0.000 0.192 1031 E C 1.944 178.507 176.600 -0.060 0.000 0.983 1031 E CA 0.914 57.291 56.400 -0.037 0.000 0.818 1031 E CB -0.253 29.414 29.700 -0.056 0.000 0.758 1031 E HN 0.738 nan 8.360 nan 0.000 0.467 1032 K N -0.113 120.198 120.400 -0.149 0.000 2.005 1032 K HA -0.008 4.312 4.320 0.000 0.000 0.206 1032 K C 0.382 176.828 176.600 -0.256 0.000 1.044 1032 K CA 0.497 56.599 56.287 -0.308 0.000 0.942 1032 K CB -0.016 32.116 32.500 -0.614 0.000 0.727 1032 K HN -0.041 nan 8.250 nan 0.000 0.439 1033 F N 2.452 122.491 119.950 0.148 0.000 2.626 1033 F HA 0.209 4.736 4.527 0.000 0.000 0.353 1033 F C 0.864 176.803 175.800 0.232 0.000 1.230 1033 F CA -0.333 57.792 58.000 0.207 0.000 1.298 1033 F CB 0.556 39.742 39.000 0.311 0.000 1.670 1033 F HN -0.054 nan 8.300 nan 0.000 0.633 1034 K N 0.958 121.511 120.400 0.255 0.000 2.515 1034 K HA -0.131 4.189 4.320 0.000 0.000 0.196 1034 K C 1.744 178.455 176.600 0.185 0.000 1.038 1034 K CA 0.774 57.181 56.287 0.200 0.000 0.967 1034 K CB 0.051 32.620 32.500 0.116 0.000 0.780 1034 K HN 0.530 nan 8.250 nan 0.000 0.483 1035 E N 0.611 120.928 120.200 0.195 0.000 2.479 1035 E HA 0.002 4.352 4.350 0.000 0.000 0.193 1035 E C 0.059 176.743 176.600 0.139 0.000 1.049 1035 E CA 0.137 56.623 56.400 0.144 0.000 0.870 1035 E CB 0.202 29.974 29.700 0.120 0.000 0.944 1035 E HN -0.109 nan 8.360 nan 0.000 0.492 1036 V N 1.491 121.500 119.914 0.159 0.000 2.547 1036 V HA 0.253 4.373 4.120 0.000 0.000 0.299 1036 V C -0.121 175.968 176.094 -0.008 0.000 1.040 1036 V CA -0.812 61.496 62.300 0.014 0.000 0.913 1036 V CB 1.742 33.440 31.823 -0.209 0.000 0.992 1036 V HN 0.160 nan 8.190 nan 0.000 0.449 1037 E N 3.047 123.184 120.200 -0.105 0.000 2.073 1037 E HA 0.416 4.766 4.350 0.000 0.000 0.269 1037 E C -1.450 175.073 176.600 -0.129 0.000 0.917 1037 E CA -0.475 55.914 56.400 -0.019 0.000 0.757 1037 E CB 0.668 30.370 29.700 0.003 0.000 1.111 1037 E HN 0.503 nan 8.360 nan 0.000 0.410 1038 F N 2.702 122.676 119.950 0.040 0.000 2.375 1038 F HA 0.349 4.876 4.527 0.000 0.000 0.333 1038 F C 0.081 175.889 175.800 0.013 0.000 1.104 1038 F CA -0.498 57.514 58.000 0.020 0.000 1.149 1038 F CB 1.432 40.459 39.000 0.046 0.000 1.190 1038 F HN 0.131 nan 8.300 nan 0.000 0.533 1039 V N 3.827 123.838 119.914 0.162 0.000 2.524 1039 V HA 0.196 4.316 4.120 0.000 0.000 0.297 1039 V C -0.900 175.258 176.094 0.106 0.000 1.035 1039 V CA -0.994 61.368 62.300 0.104 0.000 0.867 1039 V CB 1.608 33.426 31.823 -0.009 0.000 1.004 1039 V HN 0.547 nan 8.190 nan 0.000 0.426 1040 F N 5.970 125.930 119.950 0.017 0.000 2.472 1040 F HA 0.523 5.050 4.527 0.000 0.000 0.364 1040 F C 0.291 176.079 175.800 -0.020 0.000 1.090 1040 F CA 0.319 58.313 58.000 -0.010 0.000 1.188 1040 F CB 0.456 39.460 39.000 0.006 0.000 1.105 1040 F HN 0.396 nan 8.300 nan 0.000 0.536 1041 K N 4.661 124.743 120.400 -0.531 0.000 2.318 1041 K HA 0.628 4.948 4.320 0.000 0.000 0.249 1041 K C -1.629 174.737 176.600 -0.390 0.000 0.942 1041 K CA -0.498 55.598 56.287 -0.319 0.000 0.808 1041 K CB 1.870 34.192 32.500 -0.296 0.000 1.189 1041 K HN 0.666 nan 8.250 nan 0.000 0.428 1042 S N 1.172 116.824 115.700 -0.079 0.000 2.604 1042 S HA 0.265 4.735 4.470 0.000 0.000 0.296 1042 S C -1.727 172.941 174.600 0.114 0.000 1.097 1042 S CA -0.547 57.662 58.200 0.015 0.000 0.883 1042 S CB 0.867 64.121 63.200 0.090 0.000 1.081 1042 S HN 0.521 nan 8.310 nan 0.000 0.448 1043 S N 3.484 119.236 115.700 0.086 0.000 2.537 1043 S HA 0.370 4.841 4.470 0.000 0.000 0.275 1043 S C 0.814 175.457 174.600 0.072 0.000 1.272 1043 S CA -0.553 57.650 58.200 0.006 0.000 1.050 1043 S CB 0.228 63.398 63.200 -0.050 0.000 0.961 1043 S HN 0.691 nan 8.310 nan 0.000 0.496 1044 F N 0.240 120.285 119.950 0.158 0.000 2.780 1044 F HA 0.472 4.999 4.527 0.000 0.000 0.299 1044 F C 0.353 176.216 175.800 0.106 0.000 1.146 1044 F CA -0.476 57.620 58.000 0.160 0.000 1.428 1044 F CB -0.026 39.067 39.000 0.155 0.000 1.115 1044 F HN 0.444 nan 8.300 nan 0.000 0.583 1045 D N 0.293 120.503 120.400 -0.317 0.000 2.871 1045 D HA 0.206 4.846 4.640 0.000 0.000 0.209 1045 D C -1.481 174.636 176.300 -0.305 0.000 1.292 1045 D CA -0.585 53.265 54.000 -0.250 0.000 0.869 1045 D CB 1.205 41.900 40.800 -0.174 0.000 1.663 1045 D HN -0.156 nan 8.370 nan 0.000 0.557 1046 K N 3.020 123.273 120.400 -0.244 0.000 2.229 1046 K HA 0.526 4.846 4.320 0.000 0.000 0.247 1046 K C 0.440 176.878 176.600 -0.270 0.000 1.117 1046 K CA -0.366 55.802 56.287 -0.199 0.000 1.036 1046 K CB 0.898 33.352 32.500 -0.077 0.000 1.654 1046 K HN 0.448 nan 8.250 nan 0.000 0.405 1047 A N 2.426 124.959 122.820 -0.477 0.000 2.235 1047 A HA -0.094 4.226 4.320 0.000 0.000 0.208 1047 A C 1.030 178.500 177.584 -0.191 0.000 1.172 1047 A CA 0.703 52.486 52.037 -0.423 0.000 0.786 1047 A CB -0.604 17.925 19.000 -0.785 0.000 0.804 1047 A HN 0.808 nan 8.150 nan 0.000 0.479 1048 N N -1.612 117.021 118.700 -0.111 0.000 2.299 1048 N HA 0.110 4.850 4.740 0.000 0.000 0.246 1048 N C -0.222 175.316 175.510 0.047 0.000 1.254 1048 N CA -0.749 52.315 53.050 0.023 0.000 0.879 1048 N CB 0.476 39.056 38.487 0.154 0.000 1.214 1048 N HN -0.034 nan 8.380 nan 0.000 0.510 1049 R N 0.758 121.256 120.500 -0.003 0.000 2.811 1049 R HA 0.062 4.402 4.340 0.000 0.000 0.265 1049 R C 0.958 177.276 176.300 0.030 0.000 1.026 1049 R CA 0.143 56.255 56.100 0.020 0.000 1.142 1049 R CB 0.356 30.659 30.300 0.006 0.000 1.027 1049 R HN 0.186 nan 8.270 nan 0.000 0.465 1050 S N 0.279 116.004 115.700 0.042 0.000 2.357 1050 S HA -0.087 4.383 4.470 0.000 0.000 0.221 1050 S C 1.055 175.657 174.600 0.004 0.000 1.031 1050 S CA 0.895 59.114 58.200 0.032 0.000 0.982 1050 S CB 0.019 63.245 63.200 0.043 0.000 0.853 1050 S HN 0.641 nan 8.310 nan 0.000 0.458 1051 S N 0.259 115.964 115.700 0.009 0.000 2.541 1051 S HA 0.361 4.831 4.470 0.000 0.000 0.283 1051 S C 0.760 175.316 174.600 -0.073 0.000 1.196 1051 S CA -0.675 57.516 58.200 -0.015 0.000 1.062 1051 S CB 0.871 64.103 63.200 0.054 0.000 1.009 1051 S HN 0.191 nan 8.310 nan 0.000 0.502 1052 I N 4.220 124.672 120.570 -0.196 0.000 2.614 1052 I HA -0.038 4.132 4.170 0.000 0.000 0.258 1052 I C 1.280 177.257 176.117 -0.235 0.000 1.189 1052 I CA 1.751 62.903 61.300 -0.246 0.000 1.462 1052 I CB -0.314 37.483 38.000 -0.338 0.000 1.092 1052 I HN 0.842 nan 8.210 nan 0.000 0.442 1053 H N -1.165 117.911 119.070 0.009 0.000 2.539 1053 H HA 0.288 4.845 4.556 0.000 0.000 0.267 1053 H C 0.911 176.259 175.328 0.033 0.000 0.982 1053 H CA -0.052 56.006 56.048 0.018 0.000 1.146 1053 H CB -0.026 29.748 29.762 0.019 0.000 1.382 1053 H HN 0.168 nan 8.280 nan 0.000 0.577 1054 S N 0.525 116.287 115.700 0.104 0.000 2.610 1054 S HA 0.111 4.581 4.470 0.000 0.000 0.273 1054 S C -0.213 174.450 174.600 0.105 0.000 1.274 1054 S CA -0.841 57.425 58.200 0.111 0.000 1.023 1054 S CB 0.781 64.032 63.200 0.085 0.000 0.962 1054 S HN 0.247 nan 8.310 nan 0.000 0.523 1055 F N 2.052 122.000 119.950 -0.003 0.000 2.607 1055 F HA 0.110 4.637 4.527 0.000 0.000 0.374 1055 F C 1.348 177.117 175.800 -0.051 0.000 1.104 1055 F CA 0.603 58.584 58.000 -0.031 0.000 1.296 1055 F CB 0.418 39.398 39.000 -0.032 0.000 1.085 1055 F HN 0.585 nan 8.300 nan 0.000 0.584 1056 R N 2.735 122.739 120.500 -0.826 0.000 2.215 1056 R HA 0.461 4.801 4.340 0.000 0.000 0.190 1056 R C 0.410 176.238 176.300 -0.787 0.000 0.968 1056 R CA 0.126 55.874 56.100 -0.587 0.000 1.122 1056 R CB 0.495 30.583 30.300 -0.353 0.000 1.151 1056 R HN 0.883 nan 8.270 nan 0.000 0.582 1057 G N -0.840 107.249 108.800 -1.184 0.000 2.356 1057 G HA2 -0.010 3.951 3.960 0.000 0.000 0.288 1057 G HA3 -0.010 3.951 3.960 0.000 0.000 0.288 1057 G C -1.251 173.267 174.900 -0.638 0.000 1.302 1057 G CA -0.845 43.767 45.100 -0.814 0.000 0.887 1057 G HN 0.334 nan 8.290 nan 0.000 0.521 1058 H N -0.011 119.019 119.070 -0.067 0.000 2.486 1058 H HA 0.513 5.069 4.556 0.000 0.000 0.284 1058 H C 1.025 176.383 175.328 0.051 0.000 1.103 1058 H CA 0.657 56.648 56.048 -0.094 0.000 1.089 1058 H CB 0.745 30.274 29.762 -0.388 0.000 1.603 1058 H HN 1.650 nan 8.280 nan 0.000 0.557 1059 G N 0.571 109.490 108.800 0.199 0.000 2.675 1059 G HA2 -0.224 3.736 3.960 0.000 0.000 0.686 1059 G HA3 -0.224 3.736 3.960 0.000 0.000 0.686 1059 G C 0.282 175.338 174.900 0.259 0.000 1.215 1059 G CA -0.346 44.894 45.100 0.233 0.000 0.777 1059 G HN 0.204 nan 8.290 nan 0.000 0.638 1060 L N 0.965 122.269 121.223 0.135 0.000 2.042 1060 L HA -0.016 4.324 4.340 0.000 0.000 0.210 1060 L C 2.350 179.156 176.870 -0.106 0.000 1.076 1060 L CA 3.260 57.947 54.840 -0.256 0.000 0.749 1060 L CB -0.999 40.872 42.059 -0.315 0.000 0.893 1060 L HN 0.985 nan 8.230 nan 0.000 0.432 1061 E N -1.151 119.073 120.200 0.040 0.000 2.033 1061 E HA -0.330 4.021 4.350 0.000 0.000 0.199 1061 E C 2.219 178.879 176.600 0.100 0.000 1.011 1061 E CA 2.046 58.483 56.400 0.062 0.000 0.815 1061 E CB -0.443 29.314 29.700 0.095 0.000 0.755 1061 E HN 0.566 nan 8.360 nan 0.000 0.451 1062 Y N 0.293 120.633 120.300 0.067 0.000 2.145 1062 Y HA -0.151 4.399 4.550 0.000 0.000 0.286 1062 Y C 2.114 178.083 175.900 0.115 0.000 1.145 1062 Y CA 2.022 60.180 58.100 0.095 0.000 1.148 1062 Y CB -0.678 37.869 38.460 0.145 0.000 0.981 1062 Y HN 0.126 nan 8.280 nan 0.000 0.507 1063 G N -0.456 108.568 108.800 0.373 0.000 2.459 1063 G HA2 -0.278 3.682 3.960 0.000 0.000 0.217 1063 G HA3 -0.278 3.682 3.960 0.000 0.000 0.217 1063 G C 1.679 176.660 174.900 0.135 0.000 1.183 1063 G CA 1.549 46.844 45.100 0.326 0.000 0.776 1063 G HN 0.362 nan 8.290 nan 0.000 0.552 1064 V N 0.854 120.781 119.914 0.022 0.000 2.407 1064 V HA -0.147 3.973 4.120 0.000 0.000 0.248 1064 V C 2.661 178.739 176.094 -0.026 0.000 1.055 1064 V CA 2.211 64.500 62.300 -0.018 0.000 1.049 1064 V CB -0.342 31.432 31.823 -0.082 0.000 0.662 1064 V HN 0.457 nan 8.190 nan 0.000 0.455 1065 K N 0.232 120.594 120.400 -0.065 0.000 2.103 1065 K HA -0.100 4.220 4.320 0.000 0.000 0.204 1065 K C 2.161 178.679 176.600 -0.136 0.000 1.052 1065 K CA 1.336 57.558 56.287 -0.108 0.000 0.945 1065 K CB -0.209 32.199 32.500 -0.153 0.000 0.722 1065 K HN 0.427 nan 8.250 nan 0.000 0.443 1066 A N 1.230 123.951 122.820 -0.164 0.000 1.929 1066 A HA -0.056 4.264 4.320 0.000 0.000 0.216 1066 A C 2.059 179.626 177.584 -0.028 0.000 1.176 1066 A CA 0.940 52.901 52.037 -0.125 0.000 0.628 1066 A CB -0.441 18.507 19.000 -0.086 0.000 0.816 1066 A HN 0.284 nan 8.150 nan 0.000 0.444 1067 L N -1.065 120.178 121.223 0.033 0.000 2.093 1067 L HA -0.126 4.214 4.340 0.000 0.000 0.208 1067 L C 2.741 179.609 176.870 -0.004 0.000 1.085 1067 L CA 1.571 56.447 54.840 0.060 0.000 0.755 1067 L CB -0.421 41.720 42.059 0.136 0.000 0.904 1067 L HN 0.456 nan 8.230 nan 0.000 0.435 1068 R N 0.640 121.130 120.500 -0.017 0.000 2.120 1068 R HA -0.230 4.110 4.340 0.000 0.000 0.234 1068 R C 2.296 178.561 176.300 -0.059 0.000 1.123 1068 R CA 1.481 57.562 56.100 -0.031 0.000 0.975 1068 R CB 0.007 30.286 30.300 -0.036 0.000 0.866 1068 R HN 0.031 nan 8.270 nan 0.000 0.446 1069 K N 0.172 120.525 120.400 -0.078 0.000 2.057 1069 K HA -0.070 4.250 4.320 0.000 0.000 0.207 1069 K C 1.784 178.313 176.600 -0.119 0.000 1.049 1069 K CA 1.684 57.909 56.287 -0.102 0.000 0.931 1069 K CB -0.364 32.075 32.500 -0.103 0.000 0.714 1069 K HN 0.071 nan 8.250 nan 0.000 0.440 1070 V N 1.493 121.335 119.914 -0.119 0.000 2.233 1070 V HA -0.279 3.841 4.120 0.000 0.000 0.247 1070 V C 2.476 178.537 176.094 -0.054 0.000 1.050 1070 V CA 2.334 64.556 62.300 -0.128 0.000 1.010 1070 V CB -0.628 30.915 31.823 -0.466 0.000 0.637 1070 V HN 0.481 nan 8.190 nan 0.000 0.444 1071 K N 0.119 120.482 120.400 -0.061 0.000 2.063 1071 K HA -0.290 4.030 4.320 0.000 0.000 0.208 1071 K C 2.204 178.783 176.600 -0.035 0.000 1.048 1071 K CA 2.282 58.561 56.287 -0.014 0.000 0.928 1071 K CB -0.211 32.290 32.500 0.001 0.000 0.713 1071 K HN 0.591 nan 8.250 nan 0.000 0.442 1072 E N 0.304 120.460 120.200 -0.074 0.000 2.072 1072 E HA -0.219 4.131 4.350 0.000 0.000 0.191 1072 E C 1.853 178.352 176.600 -0.169 0.000 0.985 1072 E CA 1.335 57.676 56.400 -0.099 0.000 0.801 1072 E CB 0.084 29.724 29.700 -0.100 0.000 0.750 1072 E HN 0.435 nan 8.360 nan 0.000 0.452 1073 E N -1.520 118.512 120.200 -0.280 0.000 2.371 1073 E HA -0.083 4.267 4.350 0.000 0.000 0.194 1073 E C 0.559 176.679 176.600 -0.800 0.000 1.012 1073 E CA 0.505 56.566 56.400 -0.566 0.000 0.860 1073 E CB 0.260 29.503 29.700 -0.761 0.000 0.811 1073 E HN 0.234 nan 8.360 nan 0.000 0.502 1074 F N -1.431 118.462 119.950 -0.095 0.000 2.817 1074 F HA 0.351 4.878 4.527 0.000 0.000 0.333 1074 F C 1.172 176.938 175.800 -0.058 0.000 1.085 1074 F CA 0.251 58.200 58.000 -0.085 0.000 1.170 1074 F CB 1.322 40.252 39.000 -0.117 0.000 1.066 1074 F HN 0.048 nan 8.300 nan 0.000 0.564 1075 G N 1.626 110.473 108.800 0.078 0.000 2.225 1075 G HA2 -0.283 3.677 3.960 0.000 0.000 0.267 1075 G HA3 -0.283 3.677 3.960 0.000 0.000 0.267 1075 G C -0.226 174.724 174.900 0.084 0.000 1.024 1075 G CA -0.117 45.018 45.100 0.059 0.000 0.784 1075 G HN 0.133 nan 8.290 nan 0.000 0.507 1076 L N 0.212 121.494 121.223 0.099 0.000 2.334 1076 L HA 0.480 4.820 4.340 0.000 0.000 0.277 1076 L C 1.084 178.017 176.870 0.104 0.000 1.075 1076 L CA -0.537 54.367 54.840 0.107 0.000 0.804 1076 L CB 1.044 43.163 42.059 0.100 0.000 1.174 1076 L HN 0.170 nan 8.230 nan 0.000 0.438 1077 K N 3.083 123.556 120.400 0.121 0.000 2.276 1077 K HA 0.377 4.697 4.320 0.000 0.000 0.259 1077 K C -0.695 175.988 176.600 0.138 0.000 1.001 1077 K CA -0.346 56.005 56.287 0.108 0.000 0.927 1077 K CB 0.796 33.353 32.500 0.094 0.000 0.969 1077 K HN 0.319 nan 8.250 nan 0.000 0.490 1078 I N 0.911 121.553 120.570 0.120 0.000 2.646 1078 I HA 0.267 4.437 4.170 0.000 0.000 0.299 1078 I C 0.044 176.231 176.117 0.116 0.000 1.036 1078 I CA -0.410 60.982 61.300 0.153 0.000 1.074 1078 I CB 1.863 39.949 38.000 0.142 0.000 1.258 1078 I HN 0.573 nan 8.210 nan 0.000 0.430 1079 T N 3.082 117.709 114.554 0.122 0.000 2.933 1079 T HA 0.639 4.989 4.350 0.000 0.000 0.305 1079 T C -0.999 173.764 174.700 0.105 0.000 1.092 1079 T CA -0.218 61.933 62.100 0.086 0.000 1.008 1079 T CB 1.644 70.540 68.868 0.045 0.000 1.102 1079 T HN 0.848 nan 8.240 nan 0.000 0.469 1080 T N 2.376 116.992 114.554 0.103 0.000 2.853 1080 T HA 0.552 4.902 4.350 0.000 0.000 0.311 1080 T C -2.039 172.687 174.700 0.043 0.000 1.307 1080 T CA -0.714 61.454 62.100 0.113 0.000 1.019 1080 T CB 1.485 70.496 68.868 0.239 0.000 1.264 1080 T HN 0.797 nan 8.240 nan 0.000 0.497 1081 D N 2.635 122.993 120.400 -0.070 0.000 2.193 1081 D HA 0.522 5.163 4.640 0.000 0.000 0.249 1081 D C 0.329 176.361 176.300 -0.447 0.000 1.034 1081 D CA -0.668 53.199 54.000 -0.221 0.000 0.902 1081 D CB 0.943 41.599 40.800 -0.239 0.000 1.182 1081 D HN 0.780 nan 8.370 nan 0.000 0.436 1082 I N -2.203 118.106 120.570 -0.435 0.000 2.750 1082 I HA 0.414 4.584 4.170 0.000 0.000 0.308 1082 I C -0.016 175.671 176.117 -0.716 0.000 1.016 1082 I CA -0.858 60.161 61.300 -0.468 0.000 1.098 1082 I CB 2.074 39.958 38.000 -0.195 0.000 1.279 1082 I HN 0.328 nan 8.210 nan 0.000 0.454 1083 H N 1.638 120.658 119.070 -0.083 0.000 3.091 1083 H HA 0.436 4.992 4.556 0.000 0.000 0.249 1083 H C -0.326 174.971 175.328 -0.052 0.000 0.985 1083 H CA 0.025 56.035 56.048 -0.064 0.000 1.177 1083 H CB 1.039 30.770 29.762 -0.053 0.000 1.456 1083 H HN 0.653 nan 8.280 nan 0.000 0.467 1084 E N 0.141 120.298 120.200 -0.072 0.000 2.367 1084 E HA 0.287 4.637 4.350 0.000 0.000 0.273 1084 E C 0.194 176.684 176.600 -0.183 0.000 0.903 1084 E CA -0.452 55.914 56.400 -0.058 0.000 0.764 1084 E CB 2.755 32.515 29.700 0.101 0.000 1.252 1084 E HN -0.149 nan 8.360 nan 0.000 0.446 1085 S N 1.438 117.132 115.700 -0.009 0.000 2.372 1085 S HA -0.186 4.285 4.470 0.000 0.000 0.227 1085 S C 1.586 176.192 174.600 0.010 0.000 1.044 1085 S CA 1.913 60.123 58.200 0.017 0.000 1.050 1085 S CB -0.298 62.959 63.200 0.097 0.000 0.901 1085 S HN 0.747 nan 8.310 nan 0.000 0.447 1086 W N 1.890 123.219 121.300 0.049 0.000 2.387 1086 W HA -0.120 4.540 4.660 0.000 0.000 0.272 1086 W C 1.179 177.721 176.519 0.038 0.000 1.224 1086 W CA 0.853 58.222 57.345 0.040 0.000 1.210 1086 W CB -0.860 28.622 29.460 0.037 0.000 1.125 1086 W HN 0.425 nan 8.180 nan 0.000 0.572 1087 Q N 0.835 120.183 119.800 -0.755 0.000 2.378 1087 Q HA 0.034 4.374 4.340 0.000 0.000 0.205 1087 Q C 2.672 178.517 176.000 -0.258 0.000 0.954 1087 Q CA 1.108 56.490 55.803 -0.700 0.000 0.901 1087 Q CB -0.264 27.972 28.738 -0.838 0.000 0.981 1087 Q HN 0.314 nan 8.270 nan 0.000 0.483 1088 A N 1.851 124.581 122.820 -0.151 0.000 1.865 1088 A HA -0.297 4.024 4.320 0.000 0.000 0.217 1088 A C 1.971 179.539 177.584 -0.027 0.000 1.191 1088 A CA 1.767 53.766 52.037 -0.064 0.000 0.623 1088 A CB -0.555 18.428 19.000 -0.028 0.000 0.826 1088 A HN 0.419 nan 8.150 nan 0.000 0.444 1089 E N -0.449 119.754 120.200 0.006 0.000 2.033 1089 E HA -0.178 4.172 4.350 0.000 0.000 0.199 1089 E C -0.432 176.176 176.600 0.013 0.000 1.011 1089 E CA 1.670 58.086 56.400 0.026 0.000 0.815 1089 E CB -0.653 29.082 29.700 0.058 0.000 0.755 1089 E HN 0.512 nan 8.360 nan 0.000 0.451 1090 P HA -0.120 nan 4.420 nan 0.000 0.217 1090 P C 1.641 178.912 177.300 -0.050 0.000 1.150 1090 P CA 1.088 64.183 63.100 -0.008 0.000 0.832 1090 P CB -0.019 31.688 31.700 0.012 0.000 0.787 1091 V N 0.941 120.806 119.914 -0.081 0.000 2.427 1091 V HA -0.169 3.952 4.120 0.000 0.000 0.248 1091 V C 2.815 178.902 176.094 -0.011 0.000 1.051 1091 V CA 1.983 64.244 62.300 -0.065 0.000 1.048 1091 V CB -1.676 30.119 31.823 -0.046 0.000 0.666 1091 V HN 0.102 nan 8.190 nan 0.000 0.456 1092 A N -0.701 122.116 122.820 -0.005 0.000 2.125 1092 A HA -0.202 4.118 4.320 0.000 0.000 0.219 1092 A C 2.074 179.666 177.584 0.014 0.000 1.156 1092 A CA 1.374 53.418 52.037 0.012 0.000 0.671 1092 A CB -0.469 18.540 19.000 0.013 0.000 0.794 1092 A HN 0.621 nan 8.150 nan 0.000 0.459 1093 E N -1.292 118.911 120.200 0.006 0.000 2.409 1093 E HA -0.019 4.331 4.350 0.000 0.000 0.198 1093 E C 1.427 178.032 176.600 0.009 0.000 1.024 1093 E CA 0.939 57.343 56.400 0.006 0.000 0.861 1093 E CB 0.153 29.853 29.700 0.001 0.000 0.788 1093 E HN 0.443 nan 8.360 nan 0.000 0.521 1094 V N -0.946 118.977 119.914 0.015 0.000 3.229 1094 V HA 0.332 4.453 4.120 0.000 0.000 0.239 1094 V C -0.096 176.024 176.094 0.044 0.000 1.390 1094 V CA 0.376 62.691 62.300 0.025 0.000 1.231 1094 V CB 0.822 32.658 31.823 0.022 0.000 1.025 1094 V HN 0.077 nan 8.190 nan 0.000 0.461 1095 A N 0.809 123.659 122.820 0.050 0.000 2.450 1095 A HA 0.296 4.617 4.320 0.000 0.000 0.255 1095 A C 0.712 178.330 177.584 0.057 0.000 1.096 1095 A CA 0.445 52.521 52.037 0.065 0.000 0.778 1095 A CB -0.018 19.025 19.000 0.071 0.000 1.031 1095 A HN 0.555 nan 8.150 nan 0.000 0.494 1096 D N 1.353 121.791 120.400 0.063 0.000 2.305 1096 D HA 0.104 4.744 4.640 0.000 0.000 0.206 1096 D C 0.047 176.387 176.300 0.067 0.000 0.974 1096 D CA 1.287 55.325 54.000 0.062 0.000 0.871 1096 D CB 0.306 41.145 40.800 0.064 0.000 0.947 1096 D HN 0.552 nan 8.370 nan 0.000 0.516 1097 I N 1.522 122.129 120.570 0.061 0.000 2.512 1097 I HA 0.266 4.436 4.170 0.000 0.000 0.287 1097 I C -0.558 175.591 176.117 0.053 0.000 1.069 1097 I CA -0.614 60.724 61.300 0.063 0.000 1.056 1097 I CB 2.757 40.772 38.000 0.025 0.000 1.229 1097 I HN -0.324 nan 8.210 nan 0.000 0.429 1098 I N 5.569 126.170 120.570 0.052 0.000 2.342 1098 I HA 0.241 4.411 4.170 0.000 0.000 0.291 1098 I C 0.096 176.223 176.117 0.016 0.000 1.010 1098 I CA -0.309 61.010 61.300 0.031 0.000 1.308 1098 I CB 1.381 39.392 38.000 0.019 0.000 1.400 1098 I HN 0.598 nan 8.210 nan 0.000 0.488 1099 Q N 6.583 126.378 119.800 -0.008 0.000 2.257 1099 Q HA 0.404 4.745 4.340 0.000 0.000 0.255 1099 Q C -1.177 174.774 176.000 -0.083 0.000 0.920 1099 Q CA -0.730 55.051 55.803 -0.037 0.000 0.927 1099 Q CB 1.393 30.112 28.738 -0.032 0.000 1.229 1099 Q HN 0.474 nan 8.270 nan 0.000 0.433 1100 I N 6.526 127.049 120.570 -0.078 0.000 2.321 1100 I HA 0.350 4.521 4.170 0.000 0.000 0.291 1100 I C -2.175 173.873 176.117 -0.115 0.000 0.998 1100 I CA -2.714 58.535 61.300 -0.084 0.000 1.227 1100 I CB 0.822 38.796 38.000 -0.045 0.000 1.368 1100 I HN 0.558 nan 8.210 nan 0.000 0.466 1101 P HA 0.066 nan 4.420 nan 0.000 0.267 1101 P C 0.649 177.861 177.300 -0.147 0.000 1.200 1101 P CA 0.110 63.120 63.100 -0.150 0.000 0.772 1101 P CB 0.873 32.532 31.700 -0.069 0.000 0.855 1102 A N 2.766 125.420 122.820 -0.276 0.000 1.884 1102 A HA -0.243 4.077 4.320 0.000 0.000 0.219 1102 A C 1.681 179.240 177.584 -0.041 0.000 1.197 1102 A CA 1.905 53.773 52.037 -0.281 0.000 0.637 1102 A CB -1.719 17.005 19.000 -0.461 0.000 0.827 1102 A HN 0.519 nan 8.150 nan 0.000 0.450 1103 F N -0.420 119.552 119.950 0.037 0.000 2.451 1103 F HA 0.029 4.556 4.527 0.000 0.000 0.299 1103 F C 1.609 177.531 175.800 0.203 0.000 1.101 1103 F CA 0.438 58.564 58.000 0.209 0.000 1.436 1103 F CB -0.540 38.532 39.000 0.121 0.000 1.074 1103 F HN 0.106 nan 8.300 nan 0.000 0.553 1104 L N -0.634 120.750 121.223 0.268 0.000 2.728 1104 L HA 0.088 4.428 4.340 0.000 0.000 0.238 1104 L C 1.947 178.892 176.870 0.125 0.000 1.143 1104 L CA -0.049 54.894 54.840 0.172 0.000 0.937 1104 L CB -0.671 41.454 42.059 0.110 0.000 1.225 1104 L HN 0.222 nan 8.230 nan 0.000 0.507 1105 C N -1.249 118.131 119.300 0.133 0.000 2.421 1105 C HA -0.036 4.424 4.460 0.000 0.000 0.296 1105 C C 2.197 177.243 174.990 0.093 0.000 1.470 1105 C CA 0.095 59.156 59.018 0.072 0.000 1.779 1105 C CB -0.992 26.750 27.740 0.004 0.000 1.715 1105 C HN 0.480 nan 8.230 nan 0.000 0.564 1106 R N -0.396 120.186 120.500 0.137 0.000 2.437 1106 R HA 0.142 4.482 4.340 0.000 0.000 0.257 1106 R C 0.110 176.438 176.300 0.046 0.000 0.927 1106 R CA -0.026 56.128 56.100 0.089 0.000 1.078 1106 R CB -0.022 30.344 30.300 0.110 0.000 1.161 1106 R HN 0.540 nan 8.270 nan 0.000 0.529 1107 Q N 1.382 121.213 119.800 0.052 0.000 2.359 1107 Q HA 0.057 4.397 4.340 0.000 0.000 0.249 1107 Q C 0.792 176.807 176.000 0.025 0.000 1.181 1107 Q CA 0.349 56.173 55.803 0.035 0.000 0.897 1107 Q CB 0.855 29.620 28.738 0.046 0.000 1.424 1107 Q HN 0.046 nan 8.270 nan 0.000 0.478 1108 T N 1.671 116.232 114.554 0.012 0.000 2.653 1108 T HA -0.184 4.166 4.350 0.000 0.000 0.268 1108 T C 0.899 175.613 174.700 0.023 0.000 1.035 1108 T CA 1.764 63.868 62.100 0.005 0.000 1.154 1108 T CB 0.082 68.940 68.868 -0.016 0.000 0.862 1108 T HN 0.484 nan 8.240 nan 0.000 0.441 1109 D N 0.567 120.985 120.400 0.030 0.000 2.144 1109 D HA -0.022 4.618 4.640 0.000 0.000 0.199 1109 D C 2.008 178.333 176.300 0.041 0.000 0.984 1109 D CA 0.486 54.511 54.000 0.043 0.000 0.834 1109 D CB -0.407 40.422 40.800 0.048 0.000 0.955 1109 D HN 0.192 nan 8.370 nan 0.000 0.465 1110 L N 0.497 121.739 121.223 0.032 0.000 2.027 1110 L HA -0.071 4.269 4.340 0.000 0.000 0.206 1110 L C 2.215 179.094 176.870 0.015 0.000 1.074 1110 L CA 1.250 56.101 54.840 0.017 0.000 0.745 1110 L CB -0.444 41.623 42.059 0.013 0.000 0.898 1110 L HN -0.004 nan 8.230 nan 0.000 0.433 1111 L N -1.563 119.673 121.223 0.023 0.000 2.046 1111 L HA -0.237 4.103 4.340 0.000 0.000 0.208 1111 L C 2.428 179.324 176.870 0.042 0.000 1.077 1111 L CA 0.762 55.618 54.840 0.027 0.000 0.747 1111 L CB -0.629 41.447 42.059 0.027 0.000 0.896 1111 L HN 0.278 nan 8.230 nan 0.000 0.432 1112 L N -0.130 121.127 121.223 0.055 0.000 2.083 1112 L HA -0.136 4.204 4.340 0.000 0.000 0.209 1112 L C 2.745 179.650 176.870 0.058 0.000 1.083 1112 L CA 1.946 56.833 54.840 0.077 0.000 0.752 1112 L CB -1.194 40.924 42.059 0.099 0.000 0.899 1112 L HN 0.167 nan 8.230 nan 0.000 0.433 1113 A N -0.831 122.015 122.820 0.044 0.000 1.902 1113 A HA -0.161 4.160 4.320 0.000 0.000 0.217 1113 A C 2.488 180.087 177.584 0.024 0.000 1.181 1113 A CA 1.858 53.916 52.037 0.035 0.000 0.623 1113 A CB -0.892 18.124 19.000 0.026 0.000 0.818 1113 A HN 0.405 nan 8.150 nan 0.000 0.443 1114 A N -0.100 122.730 122.820 0.017 0.000 1.858 1114 A HA 0.155 4.476 4.320 0.000 0.000 0.216 1114 A C 2.546 180.146 177.584 0.026 0.000 1.190 1114 A CA 2.227 54.273 52.037 0.015 0.000 0.617 1114 A CB -1.187 17.819 19.000 0.010 0.000 0.827 1114 A HN 1.144 nan 8.150 nan 0.000 0.443 1115 A N 0.906 123.747 122.820 0.034 0.000 1.940 1115 A HA -0.219 4.102 4.320 0.000 0.000 0.219 1115 A C 2.070 179.671 177.584 0.028 0.000 1.176 1115 A CA 2.105 54.164 52.037 0.037 0.000 0.631 1115 A CB -0.590 18.439 19.000 0.049 0.000 0.814 1115 A HN 0.746 nan 8.150 nan 0.000 0.446 1116 K N -0.173 120.244 120.400 0.027 0.000 2.365 1116 K HA -0.080 4.240 4.320 0.000 0.000 0.199 1116 K C 1.569 178.180 176.600 0.018 0.000 1.045 1116 K CA 1.606 57.904 56.287 0.019 0.000 0.962 1116 K CB -0.802 31.711 32.500 0.021 0.000 0.759 1116 K HN 0.468 nan 8.250 nan 0.000 0.469 1117 T N -2.718 111.849 114.554 0.021 0.000 2.962 1117 T HA 0.070 4.420 4.350 0.000 0.000 0.270 1117 T C 1.716 176.428 174.700 0.021 0.000 1.088 1117 T CA 0.984 63.096 62.100 0.021 0.000 1.127 1117 T CB -0.370 68.510 68.868 0.021 0.000 0.883 1117 T HN 0.537 nan 8.240 nan 0.000 0.493 1118 G N 1.230 110.043 108.800 0.022 0.000 2.241 1118 G HA2 -0.224 3.736 3.960 0.000 0.000 0.244 1118 G HA3 -0.224 3.736 3.960 0.000 0.000 0.244 1118 G C 0.334 175.252 174.900 0.031 0.000 0.998 1118 G CA -0.131 44.982 45.100 0.022 0.000 0.621 1118 G HN 0.633 nan 8.290 nan 0.000 0.519 1119 R N 1.004 121.526 120.500 0.035 0.000 2.707 1119 R HA 0.668 5.008 4.340 0.000 0.000 0.270 1119 R C 0.918 177.254 176.300 0.061 0.000 1.083 1119 R CA 0.315 56.444 56.100 0.048 0.000 1.182 1119 R CB 0.074 30.401 30.300 0.045 0.000 1.084 1119 R HN 0.749 nan 8.270 nan 0.000 0.528 1120 A N 1.113 123.986 122.820 0.088 0.000 2.386 1120 A HA 0.385 4.705 4.320 0.000 0.000 0.248 1120 A C -0.242 177.420 177.584 0.130 0.000 1.082 1120 A CA -0.344 51.770 52.037 0.129 0.000 0.789 1120 A CB 0.563 19.699 19.000 0.226 0.000 1.025 1120 A HN 0.351 nan 8.150 nan 0.000 0.490 1121 V N 2.183 122.184 119.914 0.145 0.000 2.588 1121 V HA 0.400 4.520 4.120 0.000 0.000 0.304 1121 V C -0.520 175.682 176.094 0.181 0.000 1.042 1121 V CA -0.786 61.586 62.300 0.120 0.000 0.877 1121 V CB 1.839 33.703 31.823 0.069 0.000 0.996 1121 V HN 0.943 nan 8.190 nan 0.000 0.425 1122 N N 3.622 122.400 118.700 0.130 0.000 2.483 1122 N HA 0.487 5.227 4.740 0.000 0.000 0.267 1122 N C -1.219 174.307 175.510 0.026 0.000 0.998 1122 N CA -0.280 52.844 53.050 0.125 0.000 0.918 1122 N CB 1.865 40.386 38.487 0.056 0.000 1.215 1122 N HN 0.370 nan 8.380 nan 0.000 0.500 1123 V N 4.188 124.114 119.914 0.021 0.000 2.407 1123 V HA 0.362 4.482 4.120 0.000 0.000 0.278 1123 V C 0.199 176.243 176.094 -0.084 0.000 1.037 1123 V CA -0.801 61.480 62.300 -0.032 0.000 0.900 1123 V CB 1.085 32.901 31.823 -0.013 0.000 0.983 1123 V HN 0.479 nan 8.190 nan 0.000 0.459 1124 K N 3.996 124.307 120.400 -0.149 0.000 2.312 1124 K HA 0.218 4.538 4.320 0.000 0.000 0.287 1124 K C 0.028 176.501 176.600 -0.211 0.000 1.062 1124 K CA -0.379 55.775 56.287 -0.222 0.000 0.934 1124 K CB 0.921 33.233 32.500 -0.312 0.000 1.027 1124 K HN 0.610 nan 8.250 nan 0.000 0.478 1125 K N 1.750 122.024 120.400 -0.209 0.000 2.412 1125 K HA 0.057 4.377 4.320 0.000 0.000 0.284 1125 K C 0.304 176.692 176.600 -0.353 0.000 1.046 1125 K CA -0.061 56.085 56.287 -0.235 0.000 0.999 1125 K CB 0.360 32.743 32.500 -0.194 0.000 0.941 1125 K HN 0.710 nan 8.250 nan 0.000 0.474 1126 G N 3.244 111.734 108.800 -0.516 0.000 2.491 1126 G HA2 -0.075 3.885 3.960 0.000 0.000 0.238 1126 G HA3 -0.075 3.885 3.960 0.000 0.000 0.238 1126 G C 0.152 174.575 174.900 -0.795 0.000 1.277 1126 G CA -0.465 44.090 45.100 -0.908 0.000 0.851 1126 G HN 0.816 nan 8.290 nan 0.000 0.573 1127 Q N 0.653 120.148 119.800 -0.509 0.000 2.508 1127 Q HA -0.053 4.287 4.340 0.000 0.000 0.214 1127 Q C 1.588 177.515 176.000 -0.121 0.000 0.979 1127 Q CA 1.371 57.053 55.803 -0.203 0.000 0.911 1127 Q CB -0.212 28.539 28.738 0.022 0.000 0.969 1127 Q HN 0.834 nan 8.270 nan 0.000 0.504 1128 F N -2.985 116.979 119.950 0.022 0.000 2.731 1128 F HA 0.328 4.855 4.527 -0.000 0.000 0.298 1128 F C 0.389 176.168 175.800 -0.034 0.000 1.106 1128 F CA -0.866 57.136 58.000 0.003 0.000 1.329 1128 F CB 0.108 39.117 39.000 0.015 0.000 1.100 1128 F HN -0.100 nan 8.300 nan 0.000 0.592 1129 L N 2.014 123.102 121.223 -0.225 0.000 2.350 1129 L HA 0.702 5.042 4.340 0.000 0.000 0.275 1129 L C 0.220 176.953 176.870 -0.228 0.000 1.099 1129 L CA -1.017 53.738 54.840 -0.141 0.000 0.808 1129 L CB 1.023 42.939 42.059 -0.238 0.000 1.149 1129 L HN 0.210 nan 8.230 nan 0.000 0.442 1130 A N 5.706 128.347 122.820 -0.299 0.000 2.302 1130 A HA 0.579 4.899 4.320 0.000 0.000 0.285 1130 A C -1.866 175.299 177.584 -0.699 0.000 1.105 1130 A CA -1.182 50.466 52.037 -0.648 0.000 0.816 1130 A CB 0.017 18.453 19.000 -0.940 0.000 1.067 1130 A HN 0.743 nan 8.150 nan 0.000 0.489 1131 P HA -0.195 nan 4.420 nan 0.000 0.214 1131 P C 1.014 178.290 177.300 -0.040 0.000 1.163 1131 P CA 2.197 65.096 63.100 -0.334 0.000 0.889 1131 P CB -0.176 31.376 31.700 -0.245 0.000 0.790 1132 W N -0.241 121.194 121.300 0.226 0.000 2.468 1132 W HA -0.013 4.648 4.660 0.001 0.000 0.262 1132 W C 0.789 177.362 176.519 0.090 0.000 1.241 1132 W CA 0.673 58.200 57.345 0.304 0.000 1.232 1132 W CB -1.817 27.771 29.460 0.212 0.000 1.124 1132 W HN -0.086 nan 8.180 nan 0.000 0.597 1133 D N 0.801 121.190 120.400 -0.018 0.000 2.349 1133 D HA -0.078 4.563 4.640 0.000 0.000 0.224 1133 D C 1.922 178.172 176.300 -0.084 0.000 1.029 1133 D CA 1.628 55.615 54.000 -0.022 0.000 0.879 1133 D CB -0.259 40.521 40.800 -0.033 0.000 0.906 1133 D HN 0.391 nan 8.370 nan 0.000 0.528 1134 T N -2.057 112.468 114.554 -0.048 0.000 3.088 1134 T HA -0.020 4.330 4.350 0.000 0.000 0.259 1134 T C 1.742 176.251 174.700 -0.318 0.000 1.122 1134 T CA 0.271 62.346 62.100 -0.041 0.000 1.095 1134 T CB 0.307 69.283 68.868 0.180 0.000 0.930 1134 T HN 0.030 nan 8.240 nan 0.000 0.508 1135 K N 1.488 121.413 120.400 -0.792 0.000 2.032 1135 K HA -0.152 4.168 4.320 0.000 0.000 0.209 1135 K C 1.937 178.188 176.600 -0.582 0.000 1.048 1135 K CA 1.608 57.077 56.287 -1.364 0.000 0.927 1135 K CB -0.196 31.373 32.500 -1.552 0.000 0.712 1135 K HN 0.197 nan 8.250 nan 0.000 0.441 1136 N N 0.336 118.823 118.700 -0.354 0.000 2.381 1136 N HA -0.101 4.639 4.740 0.000 0.000 0.182 1136 N C 1.660 177.085 175.510 -0.142 0.000 1.025 1136 N CA 0.741 53.670 53.050 -0.202 0.000 0.888 1136 N CB -0.036 38.368 38.487 -0.139 0.000 0.965 1136 N HN 0.030 nan 8.380 nan 0.000 0.438 1137 V N 0.336 120.170 119.914 -0.133 0.000 2.270 1137 V HA -0.149 3.971 4.120 0.000 0.000 0.245 1137 V C 2.381 178.446 176.094 -0.048 0.000 1.043 1137 V CA 1.126 63.387 62.300 -0.066 0.000 1.014 1137 V CB -0.511 31.288 31.823 -0.040 0.000 0.645 1137 V HN 0.041 nan 8.190 nan 0.000 0.447 1138 V N -0.062 119.813 119.914 -0.065 0.000 2.343 1138 V HA -0.294 3.826 4.120 0.000 0.000 0.247 1138 V C 2.470 178.555 176.094 -0.015 0.000 1.051 1138 V CA 2.304 64.595 62.300 -0.015 0.000 1.036 1138 V CB -0.585 31.252 31.823 0.022 0.000 0.654 1138 V HN 0.657 nan 8.190 nan 0.000 0.451 1139 E N 0.218 120.381 120.200 -0.061 0.000 2.085 1139 E HA -0.269 4.081 4.350 0.000 0.000 0.194 1139 E C 2.306 178.922 176.600 0.027 0.000 0.994 1139 E CA 1.466 57.852 56.400 -0.023 0.000 0.801 1139 E CB -0.038 29.620 29.700 -0.071 0.000 0.743 1139 E HN 0.579 nan 8.360 nan 0.000 0.453 1140 K N 0.222 120.615 120.400 -0.012 0.000 2.032 1140 K HA -0.162 4.158 4.320 0.000 0.000 0.209 1140 K C 2.341 179.006 176.600 0.108 0.000 1.048 1140 K CA 1.296 57.590 56.287 0.012 0.000 0.927 1140 K CB -0.194 32.291 32.500 -0.026 0.000 0.712 1140 K HN 0.205 nan 8.250 nan 0.000 0.441 1141 L N 1.176 122.440 121.223 0.068 0.000 2.012 1141 L HA -0.235 4.105 4.340 0.000 0.000 0.210 1141 L C 2.401 179.323 176.870 0.087 0.000 1.073 1141 L CA 1.501 56.385 54.840 0.073 0.000 0.748 1141 L CB -0.360 41.725 42.059 0.044 0.000 0.891 1141 L HN 0.171 nan 8.230 nan 0.000 0.431 1142 K N -0.615 119.836 120.400 0.084 0.000 2.057 1142 K HA -0.219 4.101 4.320 0.000 0.000 0.207 1142 K C 2.088 178.750 176.600 0.104 0.000 1.049 1142 K CA 1.612 57.944 56.287 0.074 0.000 0.931 1142 K CB -0.359 32.179 32.500 0.064 0.000 0.714 1142 K HN 0.101 nan 8.250 nan 0.000 0.440 1143 F N 1.424 121.370 119.950 -0.006 0.000 2.120 1143 F HA -0.169 4.358 4.527 -0.000 0.000 0.300 1143 F C 1.858 177.658 175.800 -0.000 0.000 1.095 1143 F CA 1.843 59.840 58.000 -0.004 0.000 1.249 1143 F CB -0.402 38.593 39.000 -0.008 0.000 0.995 1143 F HN 0.005 nan 8.300 nan 0.000 0.480 1144 G N -1.263 107.659 108.800 0.202 0.000 2.956 1144 G HA2 0.289 4.249 3.960 0.000 0.000 0.207 1144 G HA3 0.289 4.249 3.960 0.000 0.000 0.207 1144 G C 1.245 176.149 174.900 0.007 0.000 1.162 1144 G CA 0.336 45.492 45.100 0.093 0.000 0.796 1144 G HN 1.033 nan 8.290 nan 0.000 0.527 1145 G N -1.529 107.261 108.800 -0.016 0.000 2.157 1145 G HA2 0.108 4.068 3.960 0.000 0.000 0.239 1145 G HA3 0.108 4.068 3.960 0.000 0.000 0.239 1145 G C 0.496 175.398 174.900 0.003 0.000 0.982 1145 G CA 0.110 45.198 45.100 -0.020 0.000 0.650 1145 G HN 1.333 nan 8.290 nan 0.000 0.527 1146 A N -0.118 122.714 122.820 0.020 0.000 2.454 1146 A HA 0.701 5.021 4.320 0.000 0.000 0.260 1146 A C 1.101 178.690 177.584 0.010 0.000 1.106 1146 A CA 1.026 53.075 52.037 0.021 0.000 0.780 1146 A CB 0.375 19.393 19.000 0.030 0.000 1.044 1146 A HN 0.444 nan 8.150 nan 0.000 0.498 1147 K N 1.039 121.442 120.400 0.005 0.000 2.335 1147 K HA 0.106 4.426 4.320 0.000 0.000 0.195 1147 K C 0.392 176.975 176.600 -0.027 0.000 1.058 1147 K CA 0.585 56.869 56.287 -0.005 0.000 0.988 1147 K CB 0.566 33.067 32.500 0.001 0.000 0.880 1147 K HN 0.777 nan 8.250 nan 0.000 0.513 1148 E N 1.764 121.947 120.200 -0.028 0.000 2.186 1148 E HA 0.309 4.659 4.350 0.000 0.000 0.255 1148 E C -1.316 175.207 176.600 -0.128 0.000 0.881 1148 E CA -0.326 56.020 56.400 -0.091 0.000 0.752 1148 E CB 0.714 30.408 29.700 -0.009 0.000 1.176 1148 E HN 0.051 nan 8.360 nan 0.000 0.421 1149 I N 4.393 124.809 120.570 -0.257 0.000 2.465 1149 I HA 0.372 4.542 4.170 0.000 0.000 0.291 1149 I C -1.117 174.776 176.117 -0.372 0.000 1.014 1149 I CA -0.886 60.302 61.300 -0.187 0.000 1.093 1149 I CB 1.248 39.212 38.000 -0.061 0.000 1.267 1149 I HN 0.495 nan 8.210 nan 0.000 0.431 1150 Y N 5.528 125.837 120.300 0.015 0.000 2.485 1150 Y HA 0.657 5.207 4.550 0.001 0.000 0.345 1150 Y C -0.518 175.380 175.900 -0.003 0.000 0.998 1150 Y CA -0.824 57.277 58.100 0.001 0.000 1.059 1150 Y CB 1.872 40.324 38.460 -0.014 0.000 1.234 1150 Y HN 0.268 nan 8.280 nan 0.000 0.461 1151 L N 2.690 124.001 121.223 0.146 0.000 2.333 1151 L HA 0.590 4.930 4.340 0.000 0.000 0.280 1151 L C -0.659 176.228 176.870 0.029 0.000 1.004 1151 L CA -0.531 54.350 54.840 0.069 0.000 0.820 1151 L CB 2.031 44.137 42.059 0.078 0.000 1.247 1151 L HN 0.652 nan 8.230 nan 0.000 0.416 1152 T N 1.231 115.759 114.554 -0.043 0.000 2.779 1152 T HA 0.222 4.572 4.350 0.000 0.000 0.280 1152 T C -0.349 174.271 174.700 -0.133 0.000 0.987 1152 T CA -0.460 61.581 62.100 -0.098 0.000 0.966 1152 T CB 1.596 70.344 68.868 -0.201 0.000 0.933 1152 T HN 0.406 nan 8.240 nan 0.000 0.442 1153 E N 2.683 122.831 120.200 -0.087 0.000 2.257 1153 E HA 0.249 4.599 4.350 0.000 0.000 0.278 1153 E C 0.483 176.986 176.600 -0.162 0.000 1.049 1153 E CA -0.492 55.852 56.400 -0.092 0.000 0.876 1153 E CB 0.423 30.126 29.700 0.006 0.000 1.035 1153 E HN 0.602 nan 8.360 nan 0.000 0.419 1154 R N 3.211 123.592 120.500 -0.199 0.000 2.642 1154 R HA 0.504 4.844 4.340 0.000 0.000 0.435 1154 R C 0.211 176.416 176.300 -0.159 0.000 1.046 1154 R CA -0.159 55.811 56.100 -0.217 0.000 1.103 1154 R CB 0.078 30.212 30.300 -0.278 0.000 1.425 1154 R HN 0.632 nan 8.270 nan 0.000 0.586 1155 G N -0.110 108.604 108.800 -0.144 0.000 2.662 1155 G HA2 -0.034 3.926 3.960 0.000 0.000 0.686 1155 G HA3 -0.034 3.926 3.960 0.000 0.000 0.686 1155 G C -0.897 173.929 174.900 -0.124 0.000 1.271 1155 G CA -0.439 44.588 45.100 -0.122 0.000 0.816 1155 G HN 0.216 nan 8.290 nan 0.000 0.608 1156 T N 0.750 115.249 114.554 -0.091 0.000 2.900 1156 T HA 0.652 5.003 4.350 0.000 0.000 0.295 1156 T C 0.385 175.102 174.700 0.027 0.000 1.044 1156 T CA 0.014 62.077 62.100 -0.061 0.000 0.995 1156 T CB 1.707 70.525 68.868 -0.083 0.000 1.072 1156 T HN 0.900 nan 8.240 nan 0.000 0.473 1157 T N 2.871 117.460 114.554 0.059 0.000 2.866 1157 T HA 0.186 4.536 4.350 0.000 0.000 0.293 1157 T C -0.752 174.052 174.700 0.173 0.000 1.005 1157 T CA 0.558 62.724 62.100 0.110 0.000 1.162 1157 T CB -0.373 68.558 68.868 0.106 0.000 0.968 1157 T HN 0.431 nan 8.240 nan 0.000 0.530 1158 F N 3.591 123.525 119.950 -0.026 0.000 2.959 1158 F HA 0.509 5.036 4.527 0.000 0.000 0.379 1158 F C 0.594 176.355 175.800 -0.066 0.000 1.215 1158 F CA 0.181 58.154 58.000 -0.046 0.000 1.190 1158 F CB -0.023 38.953 39.000 -0.039 0.000 1.574 1158 F HN 0.956 nan 8.300 nan 0.000 0.575 1159 G N 2.613 111.189 108.800 -0.374 0.000 2.645 1159 G HA2 -0.281 3.680 3.960 0.000 0.000 0.239 1159 G HA3 -0.281 3.680 3.960 0.000 0.000 0.239 1159 G C -1.333 173.396 174.900 -0.286 0.000 1.331 1159 G CA -0.466 44.349 45.100 -0.475 0.000 0.890 1159 G HN 0.498 nan 8.290 nan 0.000 0.572 1160 Y N 1.567 121.834 120.300 -0.055 0.000 2.299 1160 Y HA 0.439 4.989 4.550 0.000 0.000 0.326 1160 Y C 1.517 177.426 175.900 0.016 0.000 1.164 1160 Y CA -0.351 57.742 58.100 -0.010 0.000 1.234 1160 Y CB 0.843 39.295 38.460 -0.014 0.000 1.219 1160 Y HN 0.648 nan 8.280 nan 0.000 0.497 1161 N N 1.959 120.789 118.700 0.216 0.000 2.727 1161 N HA -0.326 4.414 4.740 0.000 0.000 0.249 1161 N C -0.801 174.786 175.510 0.128 0.000 1.048 1161 N CA 0.980 54.117 53.050 0.146 0.000 0.714 1161 N CB -1.068 37.491 38.487 0.119 0.000 0.959 1161 N HN 0.871 nan 8.380 nan 0.000 0.544 1162 N N -0.142 118.639 118.700 0.135 0.000 2.371 1162 N HA 0.470 5.210 4.740 0.000 0.000 0.280 1162 N C -1.514 174.094 175.510 0.163 0.000 1.084 1162 N CA -0.490 52.648 53.050 0.146 0.000 0.892 1162 N CB 1.541 40.135 38.487 0.178 0.000 1.653 1162 N HN -0.011 nan 8.380 nan 0.000 0.480 1163 L N 2.494 123.789 121.223 0.120 0.000 2.386 1163 L HA 0.629 4.969 4.340 0.000 0.000 0.271 1163 L C -0.510 176.359 176.870 -0.002 0.000 0.993 1163 L CA -0.969 53.915 54.840 0.074 0.000 0.819 1163 L CB 2.011 44.089 42.059 0.033 0.000 1.294 1163 L HN 0.268 nan 8.230 nan 0.000 0.414 1164 V N 3.809 123.677 119.914 -0.077 0.000 2.715 1164 V HA 0.560 4.680 4.120 0.000 0.000 0.310 1164 V C -0.597 175.373 176.094 -0.207 0.000 1.054 1164 V CA -0.472 61.685 62.300 -0.238 0.000 0.928 1164 V CB 2.511 33.992 31.823 -0.571 0.000 1.007 1164 V HN 0.425 nan 8.190 nan 0.000 0.437 1165 V N 5.013 124.789 119.914 -0.231 0.000 2.350 1165 V HA 0.369 4.489 4.120 0.000 0.000 0.276 1165 V C -0.360 175.502 176.094 -0.387 0.000 1.028 1165 V CA -0.466 61.623 62.300 -0.352 0.000 0.860 1165 V CB 1.410 32.927 31.823 -0.510 0.000 0.990 1165 V HN 0.931 nan 8.190 nan 0.000 0.453 1166 D N 4.089 124.294 120.400 -0.324 0.000 2.479 1166 D HA 0.252 4.892 4.640 0.000 0.000 0.218 1166 D C 0.750 176.923 176.300 -0.213 0.000 1.131 1166 D CA -0.409 53.476 54.000 -0.190 0.000 0.916 1166 D CB 0.418 41.139 40.800 -0.131 0.000 1.022 1166 D HN 0.391 nan 8.370 nan 0.000 0.515 1167 F N 1.713 121.616 119.950 -0.078 0.000 2.449 1167 F HA -0.061 4.466 4.527 0.000 0.000 0.299 1167 F C 2.204 177.966 175.800 -0.062 0.000 1.092 1167 F CA 0.579 58.529 58.000 -0.084 0.000 1.446 1167 F CB -0.026 38.908 39.000 -0.109 0.000 1.084 1167 F HN 0.282 nan 8.300 nan 0.000 0.567 1168 R N -0.274 120.277 120.500 0.084 0.000 2.189 1168 R HA -0.127 4.213 4.340 0.000 0.000 0.223 1168 R C 2.471 178.788 176.300 0.028 0.000 1.092 1168 R CA 1.230 57.368 56.100 0.064 0.000 0.989 1168 R CB -0.537 29.811 30.300 0.079 0.000 0.876 1168 R HN 0.350 nan 8.270 nan 0.000 0.457 1169 S N 0.649 116.336 115.700 -0.022 0.000 2.399 1169 S HA -0.111 4.359 4.470 0.000 0.000 0.231 1169 S C 1.871 176.439 174.600 -0.053 0.000 1.022 1169 S CA 0.709 58.876 58.200 -0.056 0.000 0.983 1169 S CB -0.123 63.007 63.200 -0.118 0.000 0.803 1169 S HN 0.083 nan 8.310 nan 0.000 0.480 1170 L N 2.758 123.960 121.223 -0.035 0.000 1.970 1170 L HA 0.034 4.374 4.340 0.000 0.000 0.212 1170 L C -0.411 176.412 176.870 -0.078 0.000 1.071 1170 L CA 2.006 56.824 54.840 -0.036 0.000 0.751 1170 L CB -1.474 40.591 42.059 0.010 0.000 0.889 1170 L HN 0.299 nan 8.230 nan 0.000 0.432 1171 P HA -0.112 nan 4.420 nan 0.000 0.222 1171 P C 2.057 179.260 177.300 -0.160 0.000 1.153 1171 P CA 1.416 64.456 63.100 -0.101 0.000 0.798 1171 P CB 0.144 31.811 31.700 -0.056 0.000 0.796 1172 I N -0.454 120.041 120.570 -0.124 0.000 2.163 1172 I HA -0.209 3.961 4.170 0.000 0.000 0.240 1172 I C 2.760 178.592 176.117 -0.475 0.000 1.081 1172 I CA 1.573 62.767 61.300 -0.176 0.000 1.353 1172 I CB -0.622 37.406 38.000 0.047 0.000 1.054 1172 I HN -0.167 nan 8.210 nan 0.000 0.407 1173 M N 0.112 119.527 119.600 -0.308 0.000 2.229 1173 M HA -0.182 4.298 4.480 0.000 0.000 0.264 1173 M C 2.175 178.122 176.300 -0.588 0.000 1.063 1173 M CA 1.271 56.339 55.300 -0.387 0.000 1.114 1173 M CB -0.468 32.096 32.600 -0.061 0.000 1.387 1173 M HN 0.004 nan 8.290 nan 0.000 0.420 1174 K N 1.197 121.366 120.400 -0.386 0.000 2.360 1174 K HA -0.162 4.159 4.320 0.000 0.000 0.201 1174 K C 1.647 178.018 176.600 -0.382 0.000 1.046 1174 K CA 1.484 57.594 56.287 -0.295 0.000 0.940 1174 K CB -0.232 32.151 32.500 -0.194 0.000 0.748 1174 K HN 0.422 nan 8.250 nan 0.000 0.465 1175 Q N -1.338 118.061 119.800 -0.669 0.000 2.170 1175 Q HA -0.135 4.205 4.340 0.000 0.000 0.203 1175 Q C 0.747 176.559 176.000 -0.313 0.000 0.976 1175 Q CA 1.777 57.233 55.803 -0.579 0.000 0.858 1175 Q CB -0.069 28.152 28.738 -0.861 0.000 0.907 1175 Q HN 0.670 nan 8.270 nan 0.000 0.433 1176 W N -2.663 118.641 121.300 0.006 0.000 2.534 1176 W HA 0.688 5.348 4.660 -0.000 0.000 0.339 1176 W C -0.014 176.491 176.519 -0.024 0.000 0.961 1176 W CA -0.103 57.240 57.345 -0.003 0.000 1.545 1176 W CB 0.328 29.793 29.460 0.008 0.000 1.104 1176 W HN -0.113 nan 8.180 nan 0.000 0.538 1177 A N 0.706 123.556 122.820 0.051 0.000 2.564 1177 A HA 0.612 4.932 4.320 0.000 0.000 0.291 1177 A C -1.105 176.445 177.584 -0.056 0.000 1.102 1177 A CA -1.245 50.805 52.037 0.021 0.000 0.660 1177 A CB 0.907 19.967 19.000 0.100 0.000 1.283 1177 A HN 0.005 nan 8.150 nan 0.000 0.430 1178 K N 0.370 120.708 120.400 -0.103 0.000 2.298 1178 K HA 0.497 4.817 4.320 0.000 0.000 0.280 1178 K C -0.922 175.707 176.600 0.049 0.000 1.032 1178 K CA -0.157 56.095 56.287 -0.058 0.000 0.958 1178 K CB 1.212 33.620 32.500 -0.153 0.000 0.978 1178 K HN 0.361 nan 8.250 nan 0.000 0.472 1179 V N 5.205 125.146 119.914 0.046 0.000 2.398 1179 V HA 0.319 4.439 4.120 0.000 0.000 0.286 1179 V C -0.154 175.976 176.094 0.060 0.000 1.026 1179 V CA -0.837 61.491 62.300 0.047 0.000 0.868 1179 V CB 1.192 33.013 31.823 -0.005 0.000 0.982 1179 V HN 0.584 nan 8.190 nan 0.000 0.443 1180 I N 4.530 125.136 120.570 0.060 0.000 2.493 1180 I HA 0.385 4.555 4.170 0.000 0.000 0.298 1180 I C -0.750 175.414 176.117 0.078 0.000 0.998 1180 I CA -0.865 60.453 61.300 0.031 0.000 1.137 1180 I CB 1.712 39.701 38.000 -0.018 0.000 1.310 1180 I HN 0.648 nan 8.210 nan 0.000 0.445 1181 Y N 4.858 125.159 120.300 0.001 0.000 2.331 1181 Y HA 0.309 4.859 4.550 0.000 0.000 0.338 1181 Y C 0.005 175.942 175.900 0.061 0.000 0.976 1181 Y CA -0.846 57.269 58.100 0.024 0.000 1.137 1181 Y CB 0.824 39.338 38.460 0.090 0.000 1.172 1181 Y HN 0.506 nan 8.280 nan 0.000 0.478 1182 D N 5.203 125.197 120.400 -0.677 0.000 2.393 1182 D HA 0.225 4.865 4.640 0.000 0.000 0.232 1182 D C 0.554 176.349 176.300 -0.842 0.000 1.192 1182 D CA 0.379 54.071 54.000 -0.513 0.000 0.882 1182 D CB 1.358 41.898 40.800 -0.435 0.000 1.038 1182 D HN 0.822 nan 8.370 nan 0.000 0.499 1183 A N 2.958 125.474 122.820 -0.506 0.000 2.014 1183 A HA -0.098 4.222 4.320 0.000 0.000 0.218 1183 A C 1.922 179.449 177.584 -0.095 0.000 1.163 1183 A CA 1.574 53.459 52.037 -0.254 0.000 0.652 1183 A CB -0.212 18.832 19.000 0.073 0.000 0.808 1183 A HN 0.615 nan 8.150 nan 0.000 0.449 1184 T N -3.668 110.814 114.554 -0.120 0.000 3.031 1184 T HA 0.032 4.382 4.350 0.000 0.000 0.254 1184 T C 1.529 176.075 174.700 -0.256 0.000 1.060 1184 T CA 1.309 63.305 62.100 -0.173 0.000 1.135 1184 T CB -0.438 68.294 68.868 -0.226 0.000 0.896 1184 T HN 0.622 nan 8.240 nan 0.000 0.472 1185 H N 0.745 119.769 119.070 -0.076 0.000 2.562 1185 H HA 0.372 4.928 4.556 0.000 0.000 0.267 1185 H C 2.143 177.414 175.328 -0.094 0.000 0.959 1185 H CA 0.571 56.561 56.048 -0.096 0.000 1.204 1185 H CB 0.260 29.922 29.762 -0.168 0.000 1.430 1185 H HN 0.254 nan 8.280 nan 0.000 0.545 1186 S N 0.514 116.200 115.700 -0.023 0.000 2.555 1186 S HA -0.012 4.458 4.470 0.000 0.000 0.230 1186 S C 0.932 175.556 174.600 0.041 0.000 0.978 1186 S CA 0.484 58.676 58.200 -0.013 0.000 0.934 1186 S CB -0.107 63.080 63.200 -0.021 0.000 0.766 1186 S HN 0.292 nan 8.310 nan 0.000 0.533 1201 R N 2.227 122.748 120.500 0.035 0.000 2.200 1201 R HA -0.148 4.193 4.340 0.000 0.000 0.234 1201 R C 1.770 178.057 176.300 -0.021 0.000 1.127 1201 R CA 2.216 58.326 56.100 0.015 0.000 0.989 1201 R CB -0.096 30.199 30.300 -0.009 0.000 0.869 1201 R HN 0.582 nan 8.270 nan 0.000 0.459 1202 E N -0.565 119.547 120.200 -0.147 0.000 2.265 1202 E HA -0.198 4.152 4.350 0.000 0.000 0.196 1202 E C 0.809 177.191 176.600 -0.363 0.000 0.996 1202 E CA 1.046 57.258 56.400 -0.312 0.000 0.832 1202 E CB -0.174 29.205 29.700 -0.535 0.000 0.756 1202 E HN 0.484 nan 8.360 nan 0.000 0.491 1203 F N 0.439 120.442 119.950 0.089 0.000 2.695 1203 F HA 0.310 4.837 4.527 0.000 0.000 0.303 1203 F C 1.923 177.811 175.800 0.146 0.000 1.091 1203 F CA -0.453 57.608 58.000 0.103 0.000 1.300 1203 F CB 0.142 39.195 39.000 0.088 0.000 1.071 1203 F HN -0.101 nan 8.300 nan 0.000 0.578 1204 I N 0.041 120.772 120.570 0.268 0.000 2.099 1204 I HA -0.371 3.799 4.170 0.000 0.000 0.239 1204 I C 2.501 178.820 176.117 0.337 0.000 1.066 1204 I CA 1.856 63.307 61.300 0.253 0.000 1.324 1204 I CB -0.437 37.651 38.000 0.147 0.000 1.037 1204 I HN 0.194 nan 8.210 nan 0.000 0.401 1205 F N 2.487 122.499 119.950 0.104 0.000 2.046 1205 F HA -0.189 4.338 4.527 0.000 0.000 0.297 1205 F C -0.217 175.640 175.800 0.095 0.000 1.123 1205 F CA 1.340 59.390 58.000 0.085 0.000 1.199 1205 F CB -1.162 37.862 39.000 0.041 0.000 0.972 1205 F HN 0.021 nan 8.300 nan 0.000 0.474 1206 P HA -0.211 nan 4.420 nan 0.000 0.215 1206 P C 1.857 179.189 177.300 0.052 0.000 1.153 1206 P CA 1.684 64.778 63.100 -0.010 0.000 0.853 1206 P CB -0.321 31.412 31.700 0.055 0.000 0.788 1207 L N -1.133 120.205 121.223 0.191 0.000 2.141 1207 L HA -0.077 4.263 4.340 0.000 0.000 0.209 1207 L C 2.776 179.746 176.870 0.167 0.000 1.094 1207 L CA 0.935 55.909 54.840 0.224 0.000 0.763 1207 L CB -0.630 41.667 42.059 0.397 0.000 0.908 1207 L HN -0.097 nan 8.230 nan 0.000 0.437 1208 I N -0.345 120.402 120.570 0.295 0.000 2.439 1208 I HA -0.239 3.931 4.170 0.000 0.000 0.251 1208 I C 2.717 178.912 176.117 0.130 0.000 1.139 1208 I CA 0.918 62.411 61.300 0.321 0.000 1.438 1208 I CB -0.025 38.230 38.000 0.426 0.000 1.085 1208 I HN 0.227 nan 8.210 nan 0.000 0.427 1209 R N 0.439 120.974 120.500 0.059 0.000 2.092 1209 R HA -0.109 4.231 4.340 0.000 0.000 0.231 1209 R C 2.329 178.545 176.300 -0.140 0.000 1.119 1209 R CA 1.370 57.441 56.100 -0.049 0.000 0.970 1209 R CB -0.428 29.775 30.300 -0.163 0.000 0.864 1209 R HN 0.369 nan 8.270 nan 0.000 0.440 1210 A N 1.467 124.135 122.820 -0.253 0.000 1.902 1210 A HA -0.100 4.220 4.320 0.000 0.000 0.217 1210 A C 2.404 179.672 177.584 -0.527 0.000 1.181 1210 A CA 1.631 53.356 52.037 -0.521 0.000 0.623 1210 A CB -0.568 17.880 19.000 -0.921 0.000 0.818 1210 A HN 0.379 nan 8.150 nan 0.000 0.443 1211 A N 0.020 122.631 122.820 -0.349 0.000 1.883 1211 A HA -0.075 4.246 4.320 0.000 0.000 0.217 1211 A C 2.286 179.844 177.584 -0.043 0.000 1.186 1211 A CA 2.453 54.396 52.037 -0.157 0.000 0.624 1211 A CB -1.285 17.484 19.000 -0.384 0.000 0.822 1211 A HN 1.127 nan 8.150 nan 0.000 0.444 1212 V N -2.772 117.145 119.914 0.005 0.000 2.809 1212 V HA 0.107 4.227 4.120 0.000 0.000 0.256 1212 V C 2.436 178.586 176.094 0.093 0.000 1.080 1212 V CA 1.509 63.848 62.300 0.065 0.000 1.102 1212 V CB -1.289 30.553 31.823 0.031 0.000 0.705 1212 V HN 0.500 nan 8.190 nan 0.000 0.475 1213 A N 0.523 123.350 122.820 0.012 0.000 1.897 1213 A HA 0.013 4.334 4.320 0.000 0.000 0.215 1213 A C 2.334 179.985 177.584 0.111 0.000 1.181 1213 A CA 1.790 53.861 52.037 0.056 0.000 0.620 1213 A CB -0.642 18.324 19.000 -0.058 0.000 0.821 1213 A HN 0.380 nan 8.150 nan 0.000 0.443 1214 V N -0.668 119.227 119.914 -0.031 0.000 2.307 1214 V HA 0.221 4.341 4.120 0.000 0.000 0.245 1214 V C 1.358 177.376 176.094 -0.126 0.000 1.045 1214 V CA 1.508 63.782 62.300 -0.044 0.000 1.024 1214 V CB -1.284 30.502 31.823 -0.062 0.000 0.651 1214 V HN 1.274 nan 8.190 nan 0.000 0.449 1215 G N -0.636 108.023 108.800 -0.235 0.000 3.400 1215 G HA2 0.122 4.082 3.960 0.000 0.000 0.679 1215 G HA3 0.122 4.082 3.960 0.000 0.000 0.679 1215 G C -0.799 173.906 174.900 -0.325 0.000 1.239 1215 G CA -0.665 44.016 45.100 -0.698 0.000 1.049 1215 G HN 1.040 nan 8.290 nan 0.000 0.539 1216 C N 0.256 119.477 119.300 -0.131 0.000 3.323 1216 C HA 0.875 5.335 4.460 0.000 0.000 0.324 1216 C C 0.478 175.539 174.990 0.118 0.000 1.428 1216 C CA -0.587 58.441 59.018 0.017 0.000 1.368 1216 C CB 1.888 29.694 27.740 0.109 0.000 1.731 1216 C HN 0.647 nan 8.230 nan 0.000 0.455 1217 D N 0.346 120.765 120.400 0.032 0.000 2.349 1217 D HA 0.419 5.059 4.640 0.000 0.000 0.214 1217 D C 0.750 176.803 176.300 -0.410 0.000 1.063 1217 D CA 1.223 55.210 54.000 -0.021 0.000 0.847 1217 D CB 0.914 41.731 40.800 0.029 0.000 0.933 1217 D HN 1.136 nan 8.370 nan 0.000 0.513 1218 G N 0.120 108.569 108.800 -0.586 0.000 2.325 1218 G HA2 0.368 4.328 3.960 0.000 0.000 0.297 1218 G HA3 0.368 4.328 3.960 0.000 0.000 0.297 1218 G C -1.422 173.242 174.900 -0.393 0.000 1.448 1218 G CA -0.431 44.029 45.100 -1.067 0.000 0.838 1218 G HN 0.066 nan 8.290 nan 0.000 0.579 1219 V N -2.168 117.573 119.914 -0.289 0.000 3.001 1219 V HA 0.919 5.039 4.120 0.000 0.000 0.314 1219 V C -1.079 175.022 176.094 0.012 0.000 1.099 1219 V CA -1.272 61.049 62.300 0.034 0.000 0.989 1219 V CB 1.977 33.923 31.823 0.205 0.000 1.040 1219 V HN 1.400 nan 8.190 nan 0.000 0.434 1220 F N 3.872 123.746 119.950 -0.126 0.000 2.493 1220 F HA 0.894 5.421 4.527 0.000 0.000 0.329 1220 F C -0.602 175.118 175.800 -0.133 0.000 1.126 1220 F CA -1.084 56.831 58.000 -0.142 0.000 0.937 1220 F CB 1.909 40.815 39.000 -0.156 0.000 1.146 1220 F HN 0.622 nan 8.300 nan 0.000 0.442 1221 M N 5.579 124.985 119.600 -0.323 0.000 2.326 1221 M HA 0.338 4.818 4.480 0.000 0.000 0.292 1221 M C -1.121 174.981 176.300 -0.330 0.000 1.081 1221 M CA -0.616 54.568 55.300 -0.194 0.000 0.919 1221 M CB 2.598 35.130 32.600 -0.114 0.000 1.634 1221 M HN 0.495 nan 8.290 nan 0.000 0.451 1222 E N 1.571 121.654 120.200 -0.195 0.000 2.259 1222 E HA 0.423 4.773 4.350 0.000 0.000 0.281 1222 E C -0.575 175.950 176.600 -0.124 0.000 1.027 1222 E CA -0.241 56.053 56.400 -0.176 0.000 0.838 1222 E CB 1.948 31.594 29.700 -0.090 0.000 1.066 1222 E HN 0.490 nan 8.360 nan 0.000 0.401 1223 T N 2.278 116.763 114.554 -0.114 0.000 2.912 1223 T HA 0.237 4.588 4.350 0.000 0.000 0.299 1223 T C -1.653 173.054 174.700 0.011 0.000 1.052 1223 T CA -0.643 61.424 62.100 -0.055 0.000 0.996 1223 T CB 1.153 69.973 68.868 -0.080 0.000 1.070 1223 T HN 0.452 nan 8.240 nan 0.000 0.465 1224 H N 3.716 122.749 119.070 -0.062 0.000 2.894 1224 H HA 0.373 4.929 4.556 0.000 0.000 0.367 1224 H C -2.445 172.864 175.328 -0.030 0.000 1.144 1224 H CA -1.756 54.268 56.048 -0.040 0.000 1.180 1224 H CB 2.746 32.485 29.762 -0.038 0.000 1.758 1224 H HN 0.324 nan 8.280 nan 0.000 0.541 1225 P HA -0.099 nan 4.420 nan 0.000 0.216 1225 P C -0.643 176.766 177.300 0.182 0.000 1.153 1225 P CA 1.515 64.654 63.100 0.065 0.000 0.858 1225 P CB 0.410 32.090 31.700 -0.033 0.000 0.789 1226 E N -2.412 118.037 120.200 0.416 0.000 3.132 1226 E HA 0.154 4.504 4.350 0.000 0.000 0.241 1226 E C -2.197 174.368 176.600 -0.058 0.000 1.196 1226 E CA -1.578 54.913 56.400 0.152 0.000 0.869 1226 E CB 0.991 30.752 29.700 0.102 0.000 1.387 1226 E HN 0.078 nan 8.360 nan 0.000 0.393 1227 P HA -0.305 nan 4.420 nan 0.000 0.218 1227 P C 1.094 178.262 177.300 -0.220 0.000 1.152 1227 P CA 1.480 64.445 63.100 -0.225 0.000 0.857 1227 P CB 0.132 31.778 31.700 -0.090 0.000 0.787 1228 E N -0.125 119.997 120.200 -0.130 0.000 2.472 1228 E HA -0.141 4.209 4.350 0.000 0.000 0.200 1228 E C 1.199 177.731 176.600 -0.113 0.000 1.046 1228 E CA 0.915 57.257 56.400 -0.098 0.000 0.871 1228 E CB -0.464 29.203 29.700 -0.055 0.000 0.806 1228 E HN 0.297 nan 8.360 nan 0.000 0.533 1229 K N 0.307 120.608 120.400 -0.164 0.000 2.402 1229 K HA 0.301 4.621 4.320 0.000 0.000 0.204 1229 K C 0.467 176.938 176.600 -0.215 0.000 1.056 1229 K CA 0.106 56.311 56.287 -0.137 0.000 1.069 1229 K CB 1.050 33.514 32.500 -0.060 0.000 0.888 1229 K HN 0.102 nan 8.250 nan 0.000 0.546 1230 A N 1.109 123.683 122.820 -0.411 0.000 2.492 1230 A HA 0.053 4.374 4.320 0.000 0.000 0.236 1230 A C 0.861 178.307 177.584 -0.229 0.000 1.078 1230 A CA 0.180 51.957 52.037 -0.434 0.000 0.773 1230 A CB 0.094 18.773 19.000 -0.536 0.000 1.023 1230 A HN 0.288 nan 8.150 nan 0.000 0.504 1231 L N 0.699 121.783 121.223 -0.233 0.000 2.592 1231 L HA 0.160 4.500 4.340 0.000 0.000 0.227 1231 L C 0.540 177.361 176.870 -0.081 0.000 1.127 1231 L CA 0.800 55.466 54.840 -0.290 0.000 0.884 1231 L CB -0.492 41.043 42.059 -0.874 0.000 1.065 1231 L HN 0.807 nan 8.230 nan 0.000 0.457 1232 S N -2.709 112.968 115.700 -0.039 0.000 2.556 1232 S HA 0.244 4.714 4.470 0.000 0.000 0.280 1232 S C -0.668 173.938 174.600 0.010 0.000 1.141 1232 S CA -0.919 57.303 58.200 0.037 0.000 0.883 1232 S CB 1.505 64.775 63.200 0.117 0.000 1.103 1232 S HN 0.184 nan 8.310 nan 0.000 0.453 1233 D N 0.667 121.079 120.400 0.021 0.000 2.708 1233 D HA -0.186 4.454 4.640 0.000 0.000 0.236 1233 D C 1.153 177.428 176.300 -0.042 0.000 1.146 1233 D CA 1.047 55.050 54.000 0.004 0.000 0.662 1233 D CB -1.334 39.475 40.800 0.016 0.000 1.059 1233 D HN 0.962 nan 8.370 nan 0.000 0.428 1234 A N -0.466 122.319 122.820 -0.059 0.000 2.067 1234 A HA -0.083 4.237 4.320 0.000 0.000 0.219 1234 A C 2.268 179.814 177.584 -0.063 0.000 1.158 1234 A CA 1.644 53.624 52.037 -0.095 0.000 0.661 1234 A CB 0.077 19.019 19.000 -0.097 0.000 0.801 1234 A HN 0.311 nan 8.150 nan 0.000 0.452 1235 S N -0.797 114.883 115.700 -0.034 0.000 2.470 1235 S HA -0.050 4.420 4.470 0.000 0.000 0.225 1235 S C 1.801 176.391 174.600 -0.017 0.000 1.006 1235 S CA 1.454 59.643 58.200 -0.017 0.000 0.934 1235 S CB -0.070 63.133 63.200 0.005 0.000 0.778 1235 S HN 0.878 nan 8.310 nan 0.000 0.517 1236 T N -1.171 113.365 114.554 -0.030 0.000 2.955 1236 T HA 0.220 4.570 4.350 0.000 0.000 0.251 1236 T C 0.447 175.109 174.700 -0.063 0.000 1.002 1236 T CA -0.315 61.760 62.100 -0.042 0.000 0.970 1236 T CB -0.112 68.720 68.868 -0.060 0.000 1.091 1236 T HN 0.135 nan 8.240 nan 0.000 0.495 1237 Q N 1.316 121.078 119.800 -0.064 0.000 2.315 1237 Q HA 0.298 4.638 4.340 0.000 0.000 0.289 1237 Q C -0.685 175.291 176.000 -0.040 0.000 1.044 1237 Q CA -0.290 55.480 55.803 -0.054 0.000 0.920 1237 Q CB 0.915 29.634 28.738 -0.031 0.000 1.214 1237 Q HN 0.345 nan 8.270 nan 0.000 0.392 1238 L N 5.131 126.329 121.223 -0.041 0.000 2.331 1238 L HA 0.282 4.622 4.340 0.000 0.000 0.278 1238 L C -2.372 174.487 176.870 -0.019 0.000 1.106 1238 L CA -1.550 53.267 54.840 -0.039 0.000 0.824 1238 L CB 0.778 42.803 42.059 -0.056 0.000 1.142 1238 L HN 0.371 nan 8.230 nan 0.000 0.443 1239 P HA -0.021 nan 4.420 nan 0.000 0.267 1239 P C 0.415 177.709 177.300 -0.010 0.000 1.205 1239 P CA -0.141 62.959 63.100 -0.001 0.000 0.765 1239 P CB 0.698 32.392 31.700 -0.011 0.000 0.828 1240 L N 4.801 126.025 121.223 0.001 0.000 2.089 1240 L HA -0.269 4.071 4.340 0.000 0.000 0.213 1240 L C 2.046 178.905 176.870 -0.020 0.000 1.079 1240 L CA 2.563 57.393 54.840 -0.017 0.000 0.758 1240 L CB -1.361 40.684 42.059 -0.023 0.000 0.891 1240 L HN 0.392 nan 8.230 nan 0.000 0.433 1241 S N -1.827 113.864 115.700 -0.015 0.000 2.442 1241 S HA -0.235 4.235 4.470 0.000 0.000 0.236 1241 S C 1.769 176.357 174.600 -0.021 0.000 1.007 1241 S CA 1.208 59.400 58.200 -0.015 0.000 0.965 1241 S CB -0.587 62.606 63.200 -0.011 0.000 0.773 1241 S HN 0.712 nan 8.310 nan 0.000 0.504 1242 Q N -0.119 119.660 119.800 -0.036 0.000 2.424 1242 Q HA 0.250 4.590 4.340 0.000 0.000 0.204 1242 Q C 1.825 177.781 176.000 -0.073 0.000 0.933 1242 Q CA 0.138 55.903 55.803 -0.064 0.000 0.929 1242 Q CB -0.210 28.474 28.738 -0.090 0.000 1.037 1242 Q HN 0.438 nan 8.270 nan 0.000 0.511 1243 L N 1.578 122.777 121.223 -0.041 0.000 2.012 1243 L HA -0.243 4.097 4.340 0.000 0.000 0.210 1243 L C 2.197 179.075 176.870 0.013 0.000 1.073 1243 L CA 1.969 56.795 54.840 -0.024 0.000 0.748 1243 L CB -0.458 41.599 42.059 -0.002 0.000 0.891 1243 L HN 0.222 nan 8.230 nan 0.000 0.431 1244 E N -1.022 119.219 120.200 0.068 0.000 2.033 1244 E HA -0.242 4.108 4.350 0.000 0.000 0.199 1244 E C 2.057 178.738 176.600 0.134 0.000 1.011 1244 E CA 1.398 57.908 56.400 0.184 0.000 0.815 1244 E CB -0.561 29.246 29.700 0.177 0.000 0.755 1244 E HN 0.619 nan 8.360 nan 0.000 0.451 1245 G N 1.520 110.349 108.800 0.049 0.000 2.446 1245 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 1245 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 1245 G C 1.571 176.434 174.900 -0.061 0.000 1.168 1245 G CA 0.907 46.015 45.100 0.014 0.000 0.771 1245 G HN 0.225 nan 8.290 nan 0.000 0.551 1246 I N 1.131 121.599 120.570 -0.170 0.000 2.208 1246 I HA -0.135 4.035 4.170 0.000 0.000 0.245 1246 I C 2.831 178.887 176.117 -0.101 0.000 1.097 1246 I CA 0.997 62.148 61.300 -0.248 0.000 1.363 1246 I CB -0.956 36.872 38.000 -0.287 0.000 1.051 1246 I HN 0.204 nan 8.210 nan 0.000 0.413 1247 I N 0.547 121.041 120.570 -0.127 0.000 2.226 1247 I HA -0.295 3.875 4.170 0.000 0.000 0.245 1247 I C 2.590 178.507 176.117 -0.334 0.000 1.100 1247 I CA 1.361 62.508 61.300 -0.255 0.000 1.374 1247 I CB -0.336 37.408 38.000 -0.426 0.000 1.057 1247 I HN 0.205 nan 8.210 nan 0.000 0.413 1248 E N 1.651 121.726 120.200 -0.208 0.000 2.051 1248 E HA -0.223 4.127 4.350 0.000 0.000 0.192 1248 E C 2.111 178.709 176.600 -0.002 0.000 0.991 1248 E CA 1.871 58.254 56.400 -0.028 0.000 0.799 1248 E CB -0.236 29.579 29.700 0.193 0.000 0.748 1248 E HN 0.393 nan 8.360 nan 0.000 0.449 1249 A N 1.472 124.319 122.820 0.045 0.000 1.865 1249 A HA -0.191 4.129 4.320 0.000 0.000 0.217 1249 A C 2.438 180.051 177.584 0.049 0.000 1.191 1249 A CA 2.169 54.269 52.037 0.105 0.000 0.623 1249 A CB -1.215 17.956 19.000 0.285 0.000 0.826 1249 A HN 0.567 nan 8.150 nan 0.000 0.444 1250 I N -2.600 117.986 120.570 0.027 0.000 2.361 1250 I HA -0.178 3.992 4.170 0.000 0.000 0.251 1250 I C 2.143 178.151 176.117 -0.181 0.000 1.133 1250 I CA 1.374 62.650 61.300 -0.040 0.000 1.413 1250 I CB -0.508 37.490 38.000 -0.004 0.000 1.073 1250 I HN 0.230 nan 8.210 nan 0.000 0.424 1251 L N 0.966 122.066 121.223 -0.204 0.000 2.093 1251 L HA -0.124 4.216 4.340 0.000 0.000 0.208 1251 L C 2.709 179.499 176.870 -0.133 0.000 1.085 1251 L CA 1.456 56.155 54.840 -0.234 0.000 0.755 1251 L CB -0.498 41.455 42.059 -0.177 0.000 0.904 1251 L HN 0.288 nan 8.230 nan 0.000 0.435 1252 E N 0.332 120.492 120.200 -0.067 0.000 2.028 1252 E HA -0.206 4.144 4.350 0.000 0.000 0.191 1252 E C 2.268 178.838 176.600 -0.051 0.000 0.988 1252 E CA 1.240 57.619 56.400 -0.036 0.000 0.799 1252 E CB -0.071 29.630 29.700 0.001 0.000 0.755 1252 E HN 0.443 nan 8.360 nan 0.000 0.447 1253 I N 0.862 121.403 120.570 -0.048 0.000 2.226 1253 I HA -0.278 3.892 4.170 0.000 0.000 0.245 1253 I C 2.737 178.821 176.117 -0.055 0.000 1.100 1253 I CA 1.005 62.279 61.300 -0.044 0.000 1.374 1253 I CB -0.284 37.696 38.000 -0.034 0.000 1.057 1253 I HN 0.055 nan 8.210 nan 0.000 0.413 1254 R N 1.206 121.651 120.500 -0.091 0.000 2.083 1254 R HA -0.266 4.074 4.340 0.000 0.000 0.237 1254 R C 2.256 178.478 176.300 -0.130 0.000 1.137 1254 R CA 2.123 58.173 56.100 -0.083 0.000 0.951 1254 R CB -0.193 29.958 30.300 -0.248 0.000 0.851 1254 R HN 0.221 nan 8.270 nan 0.000 0.434 1255 E N 0.232 120.353 120.200 -0.132 0.000 2.038 1255 E HA -0.168 4.183 4.350 0.000 0.000 0.195 1255 E C 1.840 178.347 176.600 -0.154 0.000 1.000 1255 E CA 1.649 57.969 56.400 -0.134 0.000 0.803 1255 E CB -0.497 29.149 29.700 -0.090 0.000 0.750 1255 E HN 0.213 nan 8.360 nan 0.000 0.448 1256 V N -0.072 119.778 119.914 -0.107 0.000 2.626 1256 V HA -0.082 4.038 4.120 0.000 0.000 0.252 1256 V C 1.939 177.985 176.094 -0.081 0.000 1.067 1256 V CA 2.038 64.290 62.300 -0.081 0.000 1.081 1256 V CB -0.367 31.437 31.823 -0.031 0.000 0.686 1256 V HN 0.436 nan 8.190 nan 0.000 0.468 1257 A N -0.300 122.454 122.820 -0.110 0.000 2.132 1257 A HA 0.008 4.328 4.320 0.000 0.000 0.213 1257 A C 2.420 179.704 177.584 -0.501 0.000 1.154 1257 A CA 1.231 53.216 52.037 -0.087 0.000 0.753 1257 A CB -0.520 18.497 19.000 0.027 0.000 0.826 1257 A HN 0.789 nan 8.150 nan 0.000 0.469 1258 S N 1.785 117.034 115.700 -0.752 0.000 2.402 1258 S HA -0.287 4.183 4.470 0.000 0.000 0.233 1258 S C 1.845 175.966 174.600 -0.798 0.000 1.030 1258 S CA 1.653 59.123 58.200 -1.217 0.000 1.003 1258 S CB -0.594 62.254 63.200 -0.587 0.000 0.813 1258 S HN 0.769 nan 8.310 nan 0.000 0.477 1259 K N 0.083 120.122 120.400 -0.601 0.000 2.442 1259 K HA -0.047 4.273 4.320 0.000 0.000 0.198 1259 K C 0.982 177.246 176.600 -0.559 0.000 1.042 1259 K CA 1.127 57.073 56.287 -0.568 0.000 0.958 1259 K CB -0.516 31.578 32.500 -0.678 0.000 0.766 1259 K HN 0.601 nan 8.250 nan 0.000 0.474 1260 Y N 0.113 120.301 120.300 -0.187 0.000 2.458 1260 Y HA 0.199 4.749 4.550 0.000 0.000 0.256 1260 Y C -0.061 175.880 175.900 0.067 0.000 1.159 1260 Y CA -1.095 56.970 58.100 -0.058 0.000 1.261 1260 Y CB 0.151 38.583 38.460 -0.047 0.000 1.119 1260 Y HN -0.080 nan 8.280 nan 0.000 0.524 1261 Y N 2.265 122.608 120.300 0.073 0.000 2.632 1261 Y HA 0.023 4.573 4.550 0.000 0.000 0.329 1261 Y C 0.458 176.380 175.900 0.036 0.000 1.174 1261 Y CA -0.811 57.318 58.100 0.047 0.000 1.469 1261 Y CB 0.428 38.903 38.460 0.023 0.000 1.242 1261 Y HN 0.112 nan 8.280 nan 0.000 0.540 1262 E N 1.571 121.883 120.200 0.187 0.000 2.366 1262 E HA 0.119 4.469 4.350 0.000 0.000 0.266 1262 E C -0.378 176.262 176.600 0.067 0.000 1.051 1262 E CA -0.186 56.274 56.400 0.101 0.000 0.884 1262 E CB 0.589 30.327 29.700 0.064 0.000 1.006 1262 E HN 0.405 nan 8.360 nan 0.000 0.417 1263 T N 2.840 117.423 114.554 0.047 0.000 2.869 1263 T HA 0.326 4.676 4.350 0.000 0.000 0.295 1263 T C 0.710 175.413 174.700 0.005 0.000 0.987 1263 T CA -0.520 61.597 62.100 0.028 0.000 1.109 1263 T CB 0.012 68.895 68.868 0.025 0.000 0.932 1263 T HN 0.360 nan 8.240 nan 0.000 0.518 1264 I N 0.000 120.563 120.570 -0.012 0.000 2.984 1264 I HA 0.000 4.170 4.170 0.000 0.000 0.288 1264 I CA 0.000 61.278 61.300 -0.036 0.000 1.566 1264 I CB 0.000 37.957 38.000 -0.071 0.000 1.214 1264 I HN 0.000 nan 8.210 nan 0.000 0.494