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 1rzo_1_C DATA FIRST_RESID 1003 DATA SEQUENCE PKQYPIINFT TADATVESYT NFIRAVRSHL TTGADVRHEI PVLPNRVGLP DATA SEQUENCE ISQRFILVEL SNHAELSVTL ALDVTNAYVV GCRAGNSAYF FHPDNQEDAE DATA SEQUENCE AITHLFTDVQ NSFTFAFGGN YDRLEQLGGL RENIELGTGP LEDAISALYY DATA SEQUENCE YSTCGTQIPT LARSFMVCIQ MISEAARFQY IEGEMRTRIR YNRRSAPDPS DATA SEQUENCE VITLENSWGR LSTAIQESNQ GAFASPIQLQ RRNGSKFNVY DVSILIPIIA DATA SEQUENCE LMVYRCAPPP 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 1003 P HA 0.000 nan 4.420 nan 0.000 0.216 1003 P C 0.000 177.285 177.300 -0.024 0.000 1.155 1003 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 1003 P CB 0.000 31.693 31.700 -0.012 0.000 0.726 1004 K N 0.733 121.099 120.400 -0.056 0.000 2.221 1004 K HA 0.668 4.988 4.320 0.001 0.000 0.258 1004 K C -0.810 175.701 176.600 -0.148 0.000 0.944 1004 K CA -0.449 55.788 56.287 -0.084 0.000 0.823 1004 K CB 1.495 33.937 32.500 -0.097 0.000 1.113 1004 K HN 0.357 nan 8.250 nan 0.000 0.431 1005 Q N 2.845 122.590 119.800 -0.091 0.000 2.241 1005 Q HA 0.313 4.654 4.340 0.001 0.000 0.254 1005 Q C -1.121 174.842 176.000 -0.062 0.000 0.917 1005 Q CA -0.274 55.488 55.803 -0.067 0.000 0.919 1005 Q CB 0.525 29.291 28.738 0.047 0.000 1.237 1005 Q HN 0.538 nan 8.270 nan 0.000 0.434 1006 Y N 3.588 123.947 120.300 0.098 0.000 2.459 1006 Y HA 0.151 4.702 4.550 0.001 0.000 0.349 1006 Y C -1.551 174.416 175.900 0.112 0.000 1.266 1006 Y CA -1.057 57.108 58.100 0.110 0.000 1.483 1006 Y CB -0.221 38.313 38.460 0.124 0.000 1.362 1006 Y HN 0.591 nan 8.280 nan 0.000 0.628 1007 P HA 0.237 nan 4.420 nan 0.000 0.274 1007 P C -0.932 176.470 177.300 0.169 0.000 1.231 1007 P CA 0.190 63.429 63.100 0.231 0.000 0.790 1007 P CB 1.019 32.903 31.700 0.305 0.000 0.951 1008 I N 2.119 122.750 120.570 0.102 0.000 2.498 1008 I HA 0.363 4.533 4.170 0.001 0.000 0.290 1008 I C -0.104 176.006 176.117 -0.011 0.000 1.032 1008 I CA -1.058 60.283 61.300 0.068 0.000 1.073 1008 I CB 1.773 39.834 38.000 0.100 0.000 1.251 1008 I HN 0.107 nan 8.210 nan 0.000 0.426 1009 I N 5.507 126.074 120.570 -0.005 0.000 2.339 1009 I HA 0.276 4.446 4.170 0.001 0.000 0.290 1009 I C -0.189 176.040 176.117 0.188 0.000 0.994 1009 I CA -0.017 61.305 61.300 0.037 0.000 1.191 1009 I CB 1.056 39.071 38.000 0.025 0.000 1.343 1009 I HN 0.521 nan 8.210 nan 0.000 0.458 1010 N N 6.094 124.893 118.700 0.166 0.000 2.489 1010 N HA 0.745 5.486 4.740 0.001 0.000 0.284 1010 N C -1.219 174.353 175.510 0.103 0.000 1.158 1010 N CA -0.505 52.611 53.050 0.111 0.000 0.965 1010 N CB 1.437 39.958 38.487 0.057 0.000 1.195 1010 N HN 0.420 nan 8.380 nan 0.000 0.506 1011 F N -0.169 119.625 119.950 -0.261 0.000 2.690 1011 F HA 0.448 4.976 4.527 0.001 0.000 0.311 1011 F C -1.290 174.335 175.800 -0.292 0.000 1.111 1011 F CA -0.444 57.291 58.000 -0.442 0.000 1.003 1011 F CB 1.591 39.856 39.000 -1.225 0.000 1.283 1011 F HN 0.382 nan 8.300 nan 0.000 0.442 1012 T N 1.953 115.740 114.554 -1.278 0.000 2.893 1012 T HA 0.411 4.762 4.350 0.001 0.000 0.293 1012 T C 0.561 174.601 174.700 -1.100 0.000 1.027 1012 T CA 0.204 61.775 62.100 -0.882 0.000 0.988 1012 T CB 1.463 70.062 68.868 -0.447 0.000 1.043 1012 T HN 0.812 nan 8.240 nan 0.000 0.461 1013 T N 1.240 115.453 114.554 -0.569 0.000 3.148 1013 T HA 0.363 4.714 4.350 0.001 0.000 0.253 1013 T C 0.951 175.520 174.700 -0.219 0.000 1.134 1013 T CA 0.181 62.090 62.100 -0.319 0.000 1.051 1013 T CB -0.160 68.632 68.868 -0.126 0.000 0.959 1013 T HN 0.780 nan 8.240 nan 0.000 0.525 1014 A N 2.231 124.923 122.820 -0.213 0.000 2.438 1014 A HA 0.428 4.748 4.320 0.001 0.000 0.280 1014 A C 0.350 177.857 177.584 -0.129 0.000 1.160 1014 A CA -0.415 51.560 52.037 -0.104 0.000 0.821 1014 A CB -0.649 18.335 19.000 -0.026 0.000 1.101 1014 A HN 0.380 nan 8.150 nan 0.000 0.515 1015 D N 0.003 120.327 120.400 -0.127 0.000 2.772 1015 D HA -0.172 4.468 4.640 0.001 0.000 0.233 1015 D C 0.426 176.681 176.300 -0.075 0.000 1.143 1015 D CA 1.548 55.492 54.000 -0.094 0.000 0.700 1015 D CB -1.709 39.053 40.800 -0.064 0.000 1.076 1015 D HN 1.037 nan 8.370 nan 0.000 0.430 1016 A N 0.451 123.220 122.820 -0.085 0.000 2.477 1016 A HA 0.525 4.845 4.320 0.001 0.000 0.246 1016 A C 1.079 178.695 177.584 0.052 0.000 1.078 1016 A CA 0.730 52.754 52.037 -0.022 0.000 0.770 1016 A CB 0.481 19.487 19.000 0.010 0.000 1.011 1016 A HN 0.343 nan 8.150 nan 0.000 0.494 1017 T N -0.970 113.656 114.554 0.120 0.000 2.916 1017 T HA 0.471 4.821 4.350 0.001 0.000 0.292 1017 T C 1.048 175.862 174.700 0.190 0.000 1.055 1017 T CA -0.118 62.051 62.100 0.116 0.000 1.009 1017 T CB 0.972 69.891 68.868 0.085 0.000 1.118 1017 T HN 1.500 nan 8.240 nan 0.000 0.497 1018 V N -0.539 119.470 119.914 0.159 0.000 2.380 1018 V HA -0.159 3.962 4.120 0.001 0.000 0.251 1018 V C 2.127 178.353 176.094 0.220 0.000 1.063 1018 V CA 1.934 64.358 62.300 0.206 0.000 1.055 1018 V CB -1.361 30.552 31.823 0.149 0.000 0.657 1018 V HN 0.856 nan 8.190 nan 0.000 0.455 1019 E N 2.201 122.498 120.200 0.162 0.000 2.017 1019 E HA -0.153 4.198 4.350 0.001 0.000 0.193 1019 E C 2.605 179.315 176.600 0.184 0.000 0.997 1019 E CA 2.166 58.650 56.400 0.140 0.000 0.804 1019 E CB -0.750 29.013 29.700 0.104 0.000 0.757 1019 E HN 0.898 nan 8.360 nan 0.000 0.448 1020 S N -0.006 115.829 115.700 0.225 0.000 2.365 1020 S HA -0.293 4.178 4.470 0.001 0.000 0.225 1020 S C 2.175 177.050 174.600 0.458 0.000 1.039 1020 S CA 1.445 59.831 58.200 0.310 0.000 1.033 1020 S CB -0.808 62.566 63.200 0.289 0.000 0.887 1020 S HN 0.396 nan 8.310 nan 0.000 0.447 1021 Y N 2.766 123.254 120.300 0.313 0.000 2.145 1021 Y HA -0.058 4.492 4.550 0.001 0.000 0.286 1021 Y C 2.694 178.663 175.900 0.116 0.000 1.145 1021 Y CA 1.810 60.005 58.100 0.159 0.000 1.148 1021 Y CB -1.139 37.383 38.460 0.103 0.000 0.981 1021 Y HN 0.300 nan 8.280 nan 0.000 0.507 1022 T N 0.764 115.346 114.554 0.048 0.000 2.684 1022 T HA -0.220 4.131 4.350 0.001 0.000 0.267 1022 T C 1.632 176.285 174.700 -0.079 0.000 1.036 1022 T CA 1.979 64.029 62.100 -0.083 0.000 1.148 1022 T CB -0.459 68.433 68.868 0.040 0.000 0.863 1022 T HN 0.525 nan 8.240 nan 0.000 0.436 1023 N N 0.133 118.857 118.700 0.039 0.000 2.120 1023 N HA -0.071 4.670 4.740 0.001 0.000 0.188 1023 N C 1.692 177.233 175.510 0.052 0.000 1.024 1023 N CA 0.970 54.054 53.050 0.057 0.000 0.852 1023 N CB -0.248 38.307 38.487 0.114 0.000 1.003 1023 N HN 0.273 nan 8.380 nan 0.000 0.424 1024 F N 2.729 122.637 119.950 -0.070 0.000 2.026 1024 F HA -0.162 4.365 4.527 0.001 0.000 0.296 1024 F C 2.036 177.709 175.800 -0.210 0.000 1.133 1024 F CA 1.230 59.161 58.000 -0.114 0.000 1.188 1024 F CB -0.558 38.315 39.000 -0.211 0.000 0.968 1024 F HN -0.098 nan 8.300 nan 0.000 0.476 1025 I N 0.932 121.012 120.570 -0.816 0.000 2.315 1025 I HA -0.276 3.895 4.170 0.001 0.000 0.251 1025 I C 2.507 178.348 176.117 -0.461 0.000 1.125 1025 I CA 1.453 62.245 61.300 -0.846 0.000 1.392 1025 I CB -1.286 36.263 38.000 -0.753 0.000 1.065 1025 I HN 0.304 nan 8.210 nan 0.000 0.424 1026 R N 0.407 120.736 120.500 -0.285 0.000 2.073 1026 R HA -0.023 4.317 4.340 0.001 0.000 0.229 1026 R C 2.342 178.592 176.300 -0.083 0.000 1.120 1026 R CA 1.316 57.331 56.100 -0.141 0.000 0.967 1026 R CB -0.312 29.943 30.300 -0.074 0.000 0.862 1026 R HN 0.320 nan 8.270 nan 0.000 0.436 1027 A N 0.697 123.476 122.820 -0.068 0.000 2.015 1027 A HA -0.079 4.241 4.320 0.001 0.000 0.219 1027 A C 2.284 179.899 177.584 0.052 0.000 1.163 1027 A CA 1.029 53.102 52.037 0.060 0.000 0.646 1027 A CB -0.356 18.685 19.000 0.067 0.000 0.806 1027 A HN 0.092 nan 8.150 nan 0.000 0.448 1028 V N -0.034 119.765 119.914 -0.191 0.000 2.237 1028 V HA -0.282 3.839 4.120 0.001 0.000 0.245 1028 V C 2.651 178.713 176.094 -0.053 0.000 1.046 1028 V CA 2.356 64.533 62.300 -0.205 0.000 1.007 1028 V CB -0.741 30.807 31.823 -0.458 0.000 0.638 1028 V HN 0.565 nan 8.190 nan 0.000 0.445 1029 R N 0.793 121.240 120.500 -0.088 0.000 2.096 1029 R HA -0.185 4.156 4.340 0.001 0.000 0.240 1029 R C 2.583 178.894 176.300 0.018 0.000 1.139 1029 R CA 1.909 57.989 56.100 -0.033 0.000 0.952 1029 R CB -0.730 29.540 30.300 -0.050 0.000 0.854 1029 R HN 0.715 nan 8.270 nan 0.000 0.436 1030 S N 0.118 115.839 115.700 0.036 0.000 2.383 1030 S HA -0.210 4.260 4.470 0.001 0.000 0.229 1030 S C 1.642 176.232 174.600 -0.017 0.000 1.030 1030 S CA 1.567 59.776 58.200 0.014 0.000 1.002 1030 S CB -0.471 62.739 63.200 0.017 0.000 0.829 1030 S HN 0.423 nan 8.310 nan 0.000 0.467 1031 H N 1.077 120.142 119.070 -0.010 0.000 2.470 1031 H HA 0.335 4.891 4.556 0.001 0.000 0.289 1031 H C 1.925 177.258 175.328 0.009 0.000 1.033 1031 H CA 1.154 57.209 56.048 0.011 0.000 1.331 1031 H CB -0.229 29.547 29.762 0.023 0.000 1.414 1031 H HN 0.293 nan 8.280 nan 0.000 0.545 1032 L N -0.870 120.416 121.223 0.105 0.000 1.993 1032 L HA -0.066 4.275 4.340 0.001 0.000 0.206 1032 L C 1.142 178.036 176.870 0.039 0.000 1.074 1032 L CA 1.235 56.111 54.840 0.059 0.000 0.746 1032 L CB -0.146 41.936 42.059 0.039 0.000 0.896 1032 L HN 0.139 nan 8.230 nan 0.000 0.435 1033 T N 0.647 115.219 114.554 0.030 0.000 2.832 1033 T HA 0.295 4.646 4.350 0.001 0.000 0.313 1033 T C -0.216 174.485 174.700 0.002 0.000 1.035 1033 T CA -0.379 61.734 62.100 0.022 0.000 0.950 1033 T CB 0.125 69.010 68.868 0.028 0.000 0.984 1033 T HN 0.071 nan 8.240 nan 0.000 0.486 1034 T N 2.858 117.410 114.554 -0.004 0.000 2.949 1034 T HA 0.674 5.025 4.350 0.001 0.000 0.287 1034 T C 1.422 176.118 174.700 -0.007 0.000 1.034 1034 T CA 0.166 62.254 62.100 -0.020 0.000 1.018 1034 T CB 1.254 70.101 68.868 -0.035 0.000 1.135 1034 T HN 0.839 nan 8.240 nan 0.000 0.532 1035 G N 0.899 109.692 108.800 -0.010 0.000 3.078 1035 G HA2 0.032 3.992 3.960 0.001 0.000 0.227 1035 G HA3 0.032 3.992 3.960 0.001 0.000 0.227 1035 G C 0.463 175.364 174.900 0.001 0.000 1.306 1035 G CA 0.491 45.590 45.100 -0.003 0.000 0.841 1035 G HN 2.273 nan 8.290 nan 0.000 0.530 1036 A N -0.682 122.141 122.820 0.005 0.000 2.365 1036 A HA 0.336 4.657 4.320 0.001 0.000 0.656 1036 A C -0.321 177.268 177.584 0.010 0.000 0.250 1036 A CA 1.401 53.442 52.037 0.007 0.000 0.179 1036 A CB -1.234 17.767 19.000 0.001 0.000 3.798 1036 A HN 2.160 nan 8.150 nan 0.000 0.525 1037 D N 2.129 122.537 120.400 0.013 0.000 2.456 1037 D HA 0.456 5.096 4.640 0.001 0.000 0.287 1037 D C -0.097 176.199 176.300 -0.006 0.000 1.186 1037 D CA 0.541 54.545 54.000 0.006 0.000 0.916 1037 D CB 1.055 41.867 40.800 0.021 0.000 1.029 1037 D HN 1.455 nan 8.370 nan 0.000 0.498 1038 V N 3.015 122.928 119.914 -0.003 0.000 2.617 1038 V HA 0.730 4.851 4.120 0.001 0.000 0.298 1038 V C -0.880 175.220 176.094 0.011 0.000 1.048 1038 V CA -0.465 61.836 62.300 0.003 0.000 0.964 1038 V CB 1.284 33.113 31.823 0.009 0.000 1.004 1038 V HN 0.399 nan 8.190 nan 0.000 0.466 1039 R N 3.958 124.479 120.500 0.036 0.000 2.512 1039 R HA 0.490 4.831 4.340 0.001 0.000 0.291 1039 R C -0.854 175.591 176.300 0.242 0.000 1.097 1039 R CA -0.756 55.414 56.100 0.118 0.000 0.940 1039 R CB 1.021 31.370 30.300 0.082 0.000 1.198 1039 R HN 1.072 nan 8.270 nan 0.000 0.429 1040 H N 1.255 120.313 119.070 -0.021 0.000 2.886 1040 H HA -0.151 4.406 4.556 0.001 0.000 0.294 1040 H C -0.381 174.943 175.328 -0.007 0.000 1.246 1040 H CA 1.029 57.071 56.048 -0.010 0.000 1.142 1040 H CB -1.610 28.153 29.762 0.001 0.000 1.358 1040 H HN 0.965 nan 8.280 nan 0.000 0.406 1041 E N -2.123 118.115 120.200 0.063 0.000 3.170 1041 E HA -0.240 4.110 4.350 0.001 0.000 0.284 1041 E C -0.341 176.284 176.600 0.042 0.000 0.967 1041 E CA 1.121 57.543 56.400 0.038 0.000 0.919 1041 E CB -1.055 28.661 29.700 0.027 0.000 1.469 1041 E HN 0.625 nan 8.360 nan 0.000 0.444 1042 I N 0.312 120.910 120.570 0.048 0.000 2.418 1042 I HA 0.314 4.484 4.170 0.001 0.000 0.287 1042 I C -2.397 173.727 176.117 0.011 0.000 1.008 1042 I CA -2.435 58.881 61.300 0.027 0.000 1.104 1042 I CB 1.524 39.533 38.000 0.016 0.000 1.264 1042 I HN -0.284 nan 8.210 nan 0.000 0.438 1043 P HA 0.051 nan 4.420 nan 0.000 0.266 1043 P C -0.710 176.595 177.300 0.009 0.000 1.195 1043 P CA -0.024 63.084 63.100 0.013 0.000 0.768 1043 P CB 0.732 32.445 31.700 0.020 0.000 0.838 1044 V N 4.905 124.821 119.914 0.003 0.000 2.459 1044 V HA 0.249 4.369 4.120 0.001 0.000 0.295 1044 V C 0.520 176.645 176.094 0.053 0.000 1.029 1044 V CA -0.650 61.647 62.300 -0.004 0.000 0.874 1044 V CB 1.230 33.010 31.823 -0.071 0.000 0.985 1044 V HN 0.392 nan 8.190 nan 0.000 0.438 1045 L N 6.171 127.450 121.223 0.093 0.000 2.473 1045 L HA 0.275 4.615 4.340 0.001 0.000 0.268 1045 L C -2.035 174.913 176.870 0.130 0.000 1.215 1045 L CA -1.406 53.503 54.840 0.114 0.000 0.823 1045 L CB 0.139 42.295 42.059 0.162 0.000 1.099 1045 L HN 0.414 nan 8.230 nan 0.000 0.483 1046 P HA -0.035 nan 4.420 nan 0.000 0.269 1046 P C -1.042 176.272 177.300 0.023 0.000 1.217 1046 P CA -0.124 63.011 63.100 0.058 0.000 0.783 1046 P CB 0.355 32.051 31.700 -0.005 0.000 0.898 1047 N N 0.751 119.373 118.700 -0.130 0.000 2.472 1047 N HA 0.106 4.847 4.740 0.001 0.000 0.277 1047 N C 1.135 176.481 175.510 -0.274 0.000 1.081 1047 N CA -0.268 52.528 53.050 -0.425 0.000 0.973 1047 N CB 0.445 38.224 38.487 -1.179 0.000 1.105 1047 N HN 0.174 nan 8.380 nan 0.000 0.470 1048 R N 2.819 123.192 120.500 -0.213 0.000 2.097 1048 R HA -0.117 4.223 4.340 0.001 0.000 0.236 1048 R C 0.437 176.631 176.300 -0.176 0.000 1.135 1048 R CA 1.662 57.662 56.100 -0.167 0.000 0.934 1048 R CB -0.611 29.613 30.300 -0.125 0.000 0.846 1048 R HN 0.532 nan 8.270 nan 0.000 0.431 1049 V N -0.028 119.770 119.914 -0.193 0.000 2.557 1049 V HA 0.276 4.396 4.120 0.001 0.000 0.301 1049 V C 0.893 176.889 176.094 -0.163 0.000 1.026 1049 V CA 0.669 62.871 62.300 -0.164 0.000 1.137 1049 V CB 0.442 32.169 31.823 -0.161 0.000 0.917 1049 V HN 0.772 nan 8.190 nan 0.000 0.484 1050 G N 3.633 112.360 108.800 -0.122 0.000 2.284 1050 G HA2 -0.248 3.713 3.960 0.001 0.000 0.247 1050 G HA3 -0.248 3.713 3.960 0.001 0.000 0.247 1050 G C 0.065 174.904 174.900 -0.102 0.000 1.012 1050 G CA 0.245 45.283 45.100 -0.103 0.000 0.618 1050 G HN 1.739 nan 8.290 nan 0.000 0.521 1051 L N 3.610 124.758 121.223 -0.124 0.000 2.615 1051 L HA 0.490 4.830 4.340 0.001 0.000 0.271 1051 L C -1.204 175.599 176.870 -0.111 0.000 1.183 1051 L CA -1.536 53.233 54.840 -0.118 0.000 0.933 1051 L CB -0.289 41.683 42.059 -0.144 0.000 1.199 1051 L HN 0.093 nan 8.230 nan 0.000 0.487 1052 P HA -0.064 nan 4.420 nan 0.000 0.270 1052 P C 0.778 178.023 177.300 -0.092 0.000 1.221 1052 P CA -0.036 63.021 63.100 -0.073 0.000 0.788 1052 P CB 0.530 32.204 31.700 -0.043 0.000 0.904 1053 I N 1.658 122.166 120.570 -0.103 0.000 2.406 1053 I HA -0.202 3.969 4.170 0.001 0.000 0.249 1053 I C 1.989 178.134 176.117 0.047 0.000 1.122 1053 I CA 1.698 62.922 61.300 -0.128 0.000 1.431 1053 I CB -0.940 36.865 38.000 -0.325 0.000 1.087 1053 I HN 0.379 nan 8.210 nan 0.000 0.424 1054 S N 0.865 116.584 115.700 0.032 0.000 2.413 1054 S HA -0.292 4.178 4.470 0.001 0.000 0.237 1054 S C 1.329 176.060 174.600 0.219 0.000 1.044 1054 S CA 1.518 59.757 58.200 0.064 0.000 1.024 1054 S CB -0.839 62.362 63.200 0.001 0.000 0.829 1054 S HN 0.773 nan 8.310 nan 0.000 0.475 1055 Q N -0.611 119.275 119.800 0.144 0.000 2.324 1055 Q HA 0.498 4.838 4.340 0.001 0.000 0.373 1055 Q C 0.692 176.677 176.000 -0.024 0.000 0.909 1055 Q CA -0.637 55.240 55.803 0.124 0.000 1.135 1055 Q CB 0.514 29.283 28.738 0.051 0.000 1.313 1055 Q HN 0.303 nan 8.270 nan 0.000 0.417 1056 R N 0.284 120.706 120.500 -0.131 0.000 2.282 1056 R HA 0.345 4.686 4.340 0.001 0.000 0.195 1056 R C -0.896 174.830 176.300 -0.957 0.000 0.909 1056 R CA 0.617 56.368 56.100 -0.582 0.000 1.039 1056 R CB 0.557 30.384 30.300 -0.788 0.000 1.015 1056 R HN 0.209 nan 8.270 nan 0.000 0.513 1057 F N -0.070 119.596 119.950 -0.473 0.000 2.613 1057 F HA 0.487 5.014 4.527 0.001 0.000 0.314 1057 F C -0.131 175.428 175.800 -0.403 0.000 1.075 1057 F CA -1.467 56.192 58.000 -0.569 0.000 0.945 1057 F CB 1.631 40.065 39.000 -0.942 0.000 1.310 1057 F HN -0.164 nan 8.300 nan 0.000 0.467 1058 I N 0.041 120.628 120.570 0.028 0.000 2.828 1058 I HA 0.739 4.910 4.170 0.001 0.000 0.302 1058 I C -1.820 174.351 176.117 0.089 0.000 1.101 1058 I CA -1.028 60.327 61.300 0.091 0.000 1.031 1058 I CB 2.508 40.569 38.000 0.102 0.000 1.231 1058 I HN 0.401 nan 8.210 nan 0.000 0.427 1059 L N 4.794 126.094 121.223 0.127 0.000 2.322 1059 L HA 0.603 4.944 4.340 0.001 0.000 0.281 1059 L C -0.742 176.212 176.870 0.141 0.000 1.014 1059 L CA -1.088 53.843 54.840 0.151 0.000 0.815 1059 L CB 2.068 44.260 42.059 0.221 0.000 1.247 1059 L HN 0.401 nan 8.230 nan 0.000 0.421 1060 V N 2.403 122.410 119.914 0.157 0.000 2.293 1060 V HA 0.188 4.308 4.120 0.001 0.000 0.275 1060 V C 0.151 176.330 176.094 0.140 0.000 1.021 1060 V CA -0.527 61.890 62.300 0.195 0.000 0.815 1060 V CB 1.244 33.226 31.823 0.265 0.000 1.025 1060 V HN 0.725 nan 8.190 nan 0.000 0.448 1061 E N 4.964 125.229 120.200 0.108 0.000 2.105 1061 E HA 0.288 4.639 4.350 0.001 0.000 0.285 1061 E C -1.233 175.376 176.600 0.015 0.000 1.055 1061 E CA -0.773 55.656 56.400 0.049 0.000 0.843 1061 E CB 0.809 30.530 29.700 0.036 0.000 1.067 1061 E HN 0.363 nan 8.360 nan 0.000 0.398 1062 L N 3.459 124.681 121.223 -0.002 0.000 2.292 1062 L HA 0.337 4.677 4.340 0.001 0.000 0.284 1062 L C -0.040 176.781 176.870 -0.081 0.000 1.065 1062 L CA -0.232 54.591 54.840 -0.028 0.000 0.806 1062 L CB 1.271 43.333 42.059 0.004 0.000 1.175 1062 L HN 0.414 nan 8.230 nan 0.000 0.431 1063 S N 2.775 118.390 115.700 -0.141 0.000 2.568 1063 S HA 0.823 5.293 4.470 0.001 0.000 0.293 1063 S C -0.517 173.967 174.600 -0.193 0.000 1.089 1063 S CA -0.880 57.221 58.200 -0.164 0.000 0.945 1063 S CB 2.429 65.532 63.200 -0.162 0.000 1.077 1063 S HN 0.745 nan 8.310 nan 0.000 0.485 1064 N N -0.281 118.318 118.700 -0.169 0.000 2.761 1064 N HA 0.330 5.070 4.740 0.001 0.000 0.283 1064 N C 0.313 175.775 175.510 -0.080 0.000 1.377 1064 N CA -0.705 52.265 53.050 -0.133 0.000 0.791 1064 N CB -0.149 38.272 38.487 -0.109 0.000 1.540 1064 N HN 0.554 nan 8.380 nan 0.000 0.539 1065 H N 0.301 119.287 119.070 -0.140 0.000 2.319 1065 H HA 0.103 4.660 4.556 0.001 0.000 0.299 1065 H C 1.556 176.821 175.328 -0.106 0.000 1.092 1065 H CA 2.761 58.742 56.048 -0.112 0.000 1.302 1065 H CB -0.552 29.158 29.762 -0.087 0.000 1.373 1065 H HN 0.728 nan 8.280 nan 0.000 0.497 1066 A N 0.412 123.170 122.820 -0.103 0.000 2.272 1066 A HA -0.141 4.180 4.320 0.001 0.000 0.213 1066 A C 0.876 178.336 177.584 -0.206 0.000 1.183 1066 A CA 1.284 53.224 52.037 -0.163 0.000 0.719 1066 A CB -0.683 18.248 19.000 -0.114 0.000 0.771 1066 A HN 0.758 nan 8.150 nan 0.000 0.484 1067 E N -3.151 116.923 120.200 -0.211 0.000 3.370 1067 E HA -0.217 4.133 4.350 0.001 0.000 0.291 1067 E C -0.695 175.752 176.600 -0.255 0.000 0.916 1067 E CA 0.522 56.799 56.400 -0.204 0.000 0.981 1067 E CB -1.566 28.023 29.700 -0.184 0.000 1.498 1067 E HN 0.450 nan 8.360 nan 0.000 0.452 1068 L N 0.363 121.391 121.223 -0.325 0.000 2.399 1068 L HA 0.430 4.770 4.340 0.001 0.000 0.266 1068 L C 0.446 177.110 176.870 -0.343 0.000 1.114 1068 L CA 0.273 54.800 54.840 -0.521 0.000 0.804 1068 L CB 1.824 43.489 42.059 -0.657 0.000 1.146 1068 L HN -0.078 nan 8.230 nan 0.000 0.451 1069 S N 0.342 115.862 115.700 -0.299 0.000 2.546 1069 S HA 0.844 5.314 4.470 0.001 0.000 0.274 1069 S C -1.136 173.471 174.600 0.011 0.000 1.121 1069 S CA -0.710 57.420 58.200 -0.116 0.000 0.887 1069 S CB 2.322 65.470 63.200 -0.088 0.000 1.094 1069 S HN 0.509 nan 8.310 nan 0.000 0.474 1070 V N -0.444 119.458 119.914 -0.020 0.000 2.888 1070 V HA 0.806 4.927 4.120 0.001 0.000 0.309 1070 V C -0.768 175.280 176.094 -0.076 0.000 1.114 1070 V CA -0.555 61.723 62.300 -0.037 0.000 0.940 1070 V CB 1.719 33.513 31.823 -0.049 0.000 1.021 1070 V HN 0.718 nan 8.190 nan 0.000 0.426 1071 T N 6.265 120.730 114.554 -0.148 0.000 2.743 1071 T HA 0.596 4.947 4.350 0.001 0.000 0.292 1071 T C -0.165 174.500 174.700 -0.060 0.000 0.972 1071 T CA -0.179 61.868 62.100 -0.089 0.000 0.967 1071 T CB 0.646 69.446 68.868 -0.113 0.000 0.926 1071 T HN 0.640 nan 8.240 nan 0.000 0.459 1072 L N 2.812 124.062 121.223 0.044 0.000 2.312 1072 L HA 0.661 5.002 4.340 0.001 0.000 0.281 1072 L C 0.515 177.477 176.870 0.154 0.000 1.070 1072 L CA -0.903 53.986 54.840 0.082 0.000 0.805 1072 L CB 1.011 43.132 42.059 0.102 0.000 1.174 1072 L HN 0.622 nan 8.230 nan 0.000 0.434 1073 A N 5.414 128.309 122.820 0.125 0.000 2.288 1073 A HA 0.712 5.033 4.320 0.001 0.000 0.320 1073 A C -0.675 176.941 177.584 0.054 0.000 1.217 1073 A CA -0.497 51.558 52.037 0.030 0.000 0.840 1073 A CB 0.600 19.469 19.000 -0.219 0.000 1.179 1073 A HN 0.645 nan 8.150 nan 0.000 0.504 1074 L N 2.001 123.282 121.223 0.097 0.000 2.329 1074 L HA 0.364 4.705 4.340 0.001 0.000 0.279 1074 L C -0.502 176.520 176.870 0.253 0.000 1.014 1074 L CA -0.932 53.995 54.840 0.146 0.000 0.814 1074 L CB 1.815 43.927 42.059 0.088 0.000 1.257 1074 L HN 0.656 nan 8.230 nan 0.000 0.424 1075 D N 1.720 122.271 120.400 0.251 0.000 2.316 1075 D HA 0.100 4.741 4.640 0.001 0.000 0.245 1075 D C 1.010 177.326 176.300 0.026 0.000 1.171 1075 D CA -0.345 53.747 54.000 0.153 0.000 0.856 1075 D CB 1.997 42.894 40.800 0.160 0.000 1.090 1075 D HN 0.371 nan 8.370 nan 0.000 0.476 1076 V N 2.266 122.137 119.914 -0.072 0.000 2.720 1076 V HA -0.172 3.949 4.120 0.001 0.000 0.256 1076 V C 1.759 177.849 176.094 -0.006 0.000 1.082 1076 V CA 2.110 64.388 62.300 -0.035 0.000 1.101 1076 V CB -1.471 30.313 31.823 -0.066 0.000 0.693 1076 V HN 0.676 nan 8.190 nan 0.000 0.479 1077 T N -0.889 113.646 114.554 -0.032 0.000 3.160 1077 T HA 0.049 4.400 4.350 0.001 0.000 0.257 1077 T C 0.993 175.769 174.700 0.126 0.000 1.147 1077 T CA 1.043 63.155 62.100 0.019 0.000 1.064 1077 T CB -1.039 67.806 68.868 -0.039 0.000 0.949 1077 T HN 0.951 nan 8.240 nan 0.000 0.526 1078 N N -1.276 117.506 118.700 0.137 0.000 1.926 1078 N HA 0.341 5.081 4.740 0.001 0.000 0.221 1078 N C 1.009 176.523 175.510 0.006 0.000 1.410 1078 N CA 0.018 53.199 53.050 0.218 0.000 0.711 1078 N CB -0.158 38.464 38.487 0.225 0.000 1.126 1078 N HN 0.313 nan 8.380 nan 0.000 0.546 1079 A N -0.435 122.403 122.820 0.029 0.000 3.721 1079 A HA -0.313 4.007 4.320 0.001 0.000 0.270 1079 A C 0.066 177.665 177.584 0.025 0.000 1.036 1079 A CA 1.237 53.263 52.037 -0.017 0.000 1.102 1079 A CB -2.350 16.578 19.000 -0.121 0.000 1.100 1079 A HN 0.635 nan 8.150 nan 0.000 0.887 1080 Y N -0.509 119.740 120.300 -0.085 0.000 2.357 1080 Y HA 0.398 4.949 4.550 0.001 0.000 0.340 1080 Y C 0.923 176.851 175.900 0.045 0.000 1.260 1080 Y CA 0.766 58.834 58.100 -0.053 0.000 1.425 1080 Y CB 0.982 39.389 38.460 -0.088 0.000 1.326 1080 Y HN 0.749 nan 8.280 nan 0.000 0.580 1081 V N 6.590 126.454 119.914 -0.083 0.000 2.498 1081 V HA 0.266 4.387 4.120 0.001 0.000 0.279 1081 V C 0.293 176.582 176.094 0.325 0.000 1.048 1081 V CA 0.275 62.633 62.300 0.097 0.000 0.967 1081 V CB 0.806 32.676 31.823 0.079 0.000 0.988 1081 V HN 0.838 nan 8.190 nan 0.000 0.473 1082 V N 3.976 124.052 119.914 0.271 0.000 2.949 1082 V HA 0.728 4.849 4.120 0.001 0.000 0.245 1082 V C 0.855 177.031 176.094 0.137 0.000 1.086 1082 V CA 1.150 63.658 62.300 0.347 0.000 1.097 1082 V CB -0.452 31.522 31.823 0.252 0.000 0.762 1082 V HN 1.285 nan 8.190 nan 0.000 0.470 1083 G N -1.775 106.935 108.800 -0.150 0.000 2.600 1083 G HA2 0.512 4.473 3.960 0.001 0.000 0.293 1083 G HA3 0.512 4.473 3.960 0.001 0.000 0.293 1083 G C -1.865 172.759 174.900 -0.459 0.000 1.408 1083 G CA 0.099 44.847 45.100 -0.587 0.000 0.782 1083 G HN 0.597 nan 8.290 nan 0.000 0.482 1084 C N 0.071 118.918 119.300 -0.755 0.000 2.698 1084 C HA 0.860 5.321 4.460 0.001 0.000 0.309 1084 C C -0.171 174.235 174.990 -0.973 0.000 1.186 1084 C CA -0.818 57.804 59.018 -0.661 0.000 1.474 1084 C CB 1.438 28.808 27.740 -0.616 0.000 2.020 1084 C HN 0.883 nan 8.230 nan 0.000 0.474 1085 R N 3.957 123.937 120.500 -0.867 0.000 2.332 1085 R HA 0.625 4.966 4.340 0.001 0.000 0.306 1085 R C -0.629 175.378 176.300 -0.489 0.000 1.117 1085 R CA -0.020 55.506 56.100 -0.957 0.000 1.108 1085 R CB 0.530 29.837 30.300 -1.655 0.000 1.126 1085 R HN 0.904 nan 8.270 nan 0.000 0.548 1086 A N 3.245 125.894 122.820 -0.286 0.000 2.256 1086 A HA 0.637 4.958 4.320 0.001 0.000 0.317 1086 A C 0.698 178.189 177.584 -0.155 0.000 1.318 1086 A CA 0.186 52.162 52.037 -0.102 0.000 0.894 1086 A CB 0.953 19.989 19.000 0.061 0.000 1.165 1086 A HN 1.021 nan 8.150 nan 0.000 0.525 1087 G N 2.381 111.086 108.800 -0.158 0.000 2.550 1087 G HA2 -0.300 3.661 3.960 0.001 0.000 0.277 1087 G HA3 -0.300 3.661 3.960 0.001 0.000 0.277 1087 G C 0.519 175.364 174.900 -0.091 0.000 1.190 1087 G CA 0.335 45.324 45.100 -0.184 0.000 0.971 1087 G HN 0.762 nan 8.290 nan 0.000 0.559 1088 N N 1.944 120.603 118.700 -0.069 0.000 2.375 1088 N HA 0.304 5.045 4.740 0.001 0.000 0.220 1088 N C 0.343 175.864 175.510 0.019 0.000 1.170 1088 N CA 1.038 54.076 53.050 -0.019 0.000 0.833 1088 N CB -0.082 38.402 38.487 -0.004 0.000 1.069 1088 N HN 0.939 nan 8.380 nan 0.000 0.479 1089 S N -1.305 114.410 115.700 0.024 0.000 2.627 1089 S HA 0.844 5.315 4.470 0.001 0.000 0.283 1089 S C -0.955 173.662 174.600 0.028 0.000 1.127 1089 S CA -0.967 57.310 58.200 0.128 0.000 0.863 1089 S CB 2.672 66.043 63.200 0.286 0.000 1.121 1089 S HN 0.065 nan 8.310 nan 0.000 0.479 1090 A N 1.620 124.457 122.820 0.028 0.000 2.499 1090 A HA 0.674 4.995 4.320 0.001 0.000 0.280 1090 A C -1.256 176.089 177.584 -0.399 0.000 1.135 1090 A CA -0.829 51.057 52.037 -0.251 0.000 0.744 1090 A CB 0.266 19.246 19.000 -0.034 0.000 1.213 1090 A HN 1.074 nan 8.150 nan 0.000 0.434 1091 Y N 0.262 120.083 120.300 -0.798 0.000 2.420 1091 Y HA 0.902 5.453 4.550 0.001 0.000 0.334 1091 Y C -0.945 174.441 175.900 -0.858 0.000 1.094 1091 Y CA -2.516 54.941 58.100 -1.072 0.000 1.126 1091 Y CB 0.545 38.334 38.460 -1.117 0.000 1.217 1091 Y HN 0.380 nan 8.280 nan 0.000 0.462 1092 F N 0.928 120.623 119.950 -0.424 0.000 2.593 1092 F HA 0.612 5.140 4.527 0.001 0.000 0.320 1092 F C -0.735 174.938 175.800 -0.211 0.000 1.060 1092 F CA -1.639 56.167 58.000 -0.323 0.000 0.940 1092 F CB 1.106 39.983 39.000 -0.206 0.000 1.268 1092 F HN 0.291 nan 8.300 nan 0.000 0.475 1093 F N -0.143 119.887 119.950 0.133 0.000 2.406 1093 F HA 0.227 4.754 4.527 0.001 0.000 0.327 1093 F C 0.652 176.508 175.800 0.094 0.000 1.153 1093 F CA -0.414 57.615 58.000 0.048 0.000 1.218 1093 F CB 0.151 39.147 39.000 -0.007 0.000 1.215 1093 F HN 0.400 nan 8.300 nan 0.000 0.570 1094 H N 2.929 122.102 119.070 0.172 0.000 2.878 1094 H HA 0.288 4.844 4.556 0.001 0.000 0.290 1094 H C -2.490 172.896 175.328 0.097 0.000 1.065 1094 H CA -2.529 53.577 56.048 0.095 0.000 1.477 1094 H CB 0.385 30.188 29.762 0.068 0.000 1.484 1094 H HN 0.184 nan 8.280 nan 0.000 0.504 1095 P HA 0.050 nan 4.420 nan 0.000 0.272 1095 P C -0.125 176.956 177.300 -0.365 0.000 1.230 1095 P CA -0.093 62.886 63.100 -0.203 0.000 0.788 1095 P CB 0.838 32.468 31.700 -0.117 0.000 0.949 1096 D N -0.416 119.869 120.400 -0.192 0.000 2.355 1096 D HA 0.016 4.657 4.640 0.001 0.000 0.218 1096 D C 0.107 176.334 176.300 -0.121 0.000 1.004 1096 D CA 0.572 54.479 54.000 -0.154 0.000 0.880 1096 D CB -0.371 40.371 40.800 -0.098 0.000 0.911 1096 D HN 0.476 nan 8.370 nan 0.000 0.528 1097 N N -1.492 117.138 118.700 -0.116 0.000 2.710 1097 N HA 0.085 4.825 4.740 0.001 0.000 0.257 1097 N C 0.230 175.705 175.510 -0.059 0.000 1.327 1097 N CA -0.764 52.242 53.050 -0.073 0.000 0.861 1097 N CB 1.289 39.744 38.487 -0.053 0.000 1.532 1097 N HN -0.322 nan 8.380 nan 0.000 0.499 1098 Q N 0.326 120.105 119.800 -0.035 0.000 2.096 1098 Q HA -0.245 4.096 4.340 0.001 0.000 0.208 1098 Q C 1.070 177.060 176.000 -0.017 0.000 0.993 1098 Q CA 2.339 58.131 55.803 -0.019 0.000 0.862 1098 Q CB -0.157 28.576 28.738 -0.008 0.000 0.915 1098 Q HN 0.705 nan 8.270 nan 0.000 0.416 1099 E N 0.626 120.813 120.200 -0.023 0.000 2.033 1099 E HA -0.222 4.128 4.350 0.001 0.000 0.199 1099 E C 1.727 178.319 176.600 -0.014 0.000 1.011 1099 E CA 1.686 58.072 56.400 -0.023 0.000 0.815 1099 E CB -0.878 28.799 29.700 -0.039 0.000 0.755 1099 E HN 0.489 nan 8.360 nan 0.000 0.451 1100 D N 1.443 121.833 120.400 -0.017 0.000 2.092 1100 D HA -0.101 4.540 4.640 0.001 0.000 0.193 1100 D C 2.009 178.326 176.300 0.027 0.000 0.994 1100 D CA 1.933 55.941 54.000 0.012 0.000 0.828 1100 D CB -0.573 40.227 40.800 -0.000 0.000 0.963 1100 D HN 0.267 nan 8.370 nan 0.000 0.450 1101 A N 1.308 124.120 122.820 -0.013 0.000 1.903 1101 A HA -0.267 4.054 4.320 0.001 0.000 0.219 1101 A C 2.122 179.704 177.584 -0.004 0.000 1.191 1101 A CA 2.017 54.041 52.037 -0.022 0.000 0.638 1101 A CB -0.603 18.381 19.000 -0.027 0.000 0.823 1101 A HN 0.176 nan 8.150 nan 0.000 0.451 1102 E N 0.204 120.415 120.200 0.019 0.000 2.150 1102 E HA -0.120 4.230 4.350 0.001 0.000 0.193 1102 E C 2.167 178.842 176.600 0.125 0.000 0.985 1102 E CA 1.211 57.643 56.400 0.053 0.000 0.814 1102 E CB -0.342 29.387 29.700 0.048 0.000 0.752 1102 E HN 0.499 nan 8.360 nan 0.000 0.466 1103 A N 2.062 124.951 122.820 0.115 0.000 1.845 1103 A HA -0.157 4.164 4.320 0.001 0.000 0.215 1103 A C 2.344 180.120 177.584 0.319 0.000 1.195 1103 A CA 1.674 53.834 52.037 0.205 0.000 0.616 1103 A CB -1.045 18.055 19.000 0.167 0.000 0.832 1103 A HN 0.470 nan 8.150 nan 0.000 0.443 1104 I N -0.970 119.687 120.570 0.146 0.000 2.953 1104 I HA -0.104 4.066 4.170 0.001 0.000 0.271 1104 I C 1.596 177.482 176.117 -0.386 0.000 1.286 1104 I CA 1.670 62.840 61.300 -0.216 0.000 1.449 1104 I CB -0.981 36.832 38.000 -0.311 0.000 1.086 1104 I HN 0.332 nan 8.210 nan 0.000 0.483 1105 T N -3.068 111.401 114.554 -0.143 0.000 3.324 1105 T HA 0.104 4.455 4.350 0.001 0.000 0.250 1105 T C 0.668 175.256 174.700 -0.187 0.000 1.059 1105 T CA 0.197 62.172 62.100 -0.209 0.000 0.951 1105 T CB -0.692 68.098 68.868 -0.131 0.000 1.030 1105 T HN 0.554 nan 8.240 nan 0.000 0.576 1106 H N -0.937 118.073 119.070 -0.100 0.000 3.058 1106 H HA 0.465 5.022 4.556 0.001 0.000 0.266 1106 H C -0.405 174.927 175.328 0.007 0.000 1.135 1106 H CA -0.535 55.529 56.048 0.027 0.000 1.174 1106 H CB 0.487 30.363 29.762 0.191 0.000 1.581 1106 H HN 0.220 nan 8.280 nan 0.000 0.553 1107 L N 1.310 122.458 121.223 -0.124 0.000 2.290 1107 L HA 0.161 4.502 4.340 0.001 0.000 0.284 1107 L C -0.401 176.401 176.870 -0.113 0.000 1.078 1107 L CA -0.400 54.222 54.840 -0.364 0.000 0.815 1107 L CB -0.638 41.087 42.059 -0.558 0.000 1.162 1107 L HN 0.253 nan 8.230 nan 0.000 0.435 1108 F N 1.102 121.157 119.950 0.175 0.000 2.738 1108 F HA -0.260 4.267 4.527 0.001 0.000 0.232 1108 F C 1.712 177.575 175.800 0.105 0.000 1.025 1108 F CA 0.915 58.992 58.000 0.129 0.000 0.895 1108 F CB -2.415 36.653 39.000 0.113 0.000 0.839 1108 F HN 0.646 nan 8.300 nan 0.000 0.850 1109 T N -2.973 111.688 114.554 0.179 0.000 2.821 1109 T HA -0.189 4.162 4.350 0.001 0.000 0.267 1109 T C 1.595 176.350 174.700 0.092 0.000 1.046 1109 T CA 1.134 63.286 62.100 0.087 0.000 1.139 1109 T CB -0.160 68.714 68.868 0.011 0.000 0.871 1109 T HN 0.588 nan 8.240 nan 0.000 0.454 1110 D N 1.581 122.045 120.400 0.107 0.000 2.371 1110 D HA -0.042 4.598 4.640 0.001 0.000 0.221 1110 D C 0.426 176.776 176.300 0.084 0.000 0.986 1110 D CA 0.080 54.129 54.000 0.081 0.000 0.899 1110 D CB -0.566 40.278 40.800 0.074 0.000 0.902 1110 D HN 0.312 nan 8.370 nan 0.000 0.530 1111 V N 1.802 121.785 119.914 0.116 0.000 2.455 1111 V HA -0.007 4.113 4.120 0.001 0.000 0.273 1111 V C 1.668 177.823 176.094 0.102 0.000 1.045 1111 V CA -0.279 62.080 62.300 0.098 0.000 0.976 1111 V CB 1.172 33.057 31.823 0.103 0.000 0.993 1111 V HN 0.113 nan 8.190 nan 0.000 0.475 1112 Q N 4.300 124.147 119.800 0.078 0.000 2.046 1112 Q HA -0.143 4.198 4.340 0.001 0.000 0.200 1112 Q C 1.358 177.420 176.000 0.102 0.000 0.975 1112 Q CA 1.463 57.310 55.803 0.074 0.000 0.836 1112 Q CB 0.074 28.842 28.738 0.050 0.000 0.896 1112 Q HN 0.841 nan 8.270 nan 0.000 0.428 1113 N N 1.008 119.782 118.700 0.123 0.000 3.245 1113 N HA 0.057 4.797 4.740 0.001 0.000 0.296 1113 N C -1.418 174.291 175.510 0.332 0.000 1.254 1113 N CA -0.347 52.816 53.050 0.187 0.000 1.190 1113 N CB 0.336 38.916 38.487 0.154 0.000 1.460 1113 N HN -0.015 nan 8.380 nan 0.000 0.538 1114 S N 1.995 117.874 115.700 0.297 0.000 2.462 1114 S HA 0.526 4.997 4.470 0.001 0.000 0.294 1114 S C -0.719 174.105 174.600 0.374 0.000 1.144 1114 S CA -0.615 57.773 58.200 0.312 0.000 1.088 1114 S CB 0.530 63.888 63.200 0.264 0.000 1.009 1114 S HN 0.463 nan 8.310 nan 0.000 0.484 1115 F N -0.910 119.126 119.950 0.142 0.000 2.692 1115 F HA 0.818 5.345 4.527 0.001 0.000 0.320 1115 F C -0.620 175.192 175.800 0.019 0.000 1.123 1115 F CA -1.109 56.904 58.000 0.020 0.000 0.961 1115 F CB 0.991 39.944 39.000 -0.079 0.000 1.383 1115 F HN 0.250 nan 8.300 nan 0.000 0.483 1116 T N 2.107 116.683 114.554 0.037 0.000 2.906 1116 T HA 0.493 4.844 4.350 0.001 0.000 0.302 1116 T C -0.719 173.932 174.700 -0.081 0.000 1.002 1116 T CA -0.328 61.740 62.100 -0.055 0.000 0.988 1116 T CB 0.275 69.165 68.868 0.036 0.000 0.972 1116 T HN 0.406 nan 8.240 nan 0.000 0.447 1117 F N 1.426 121.358 119.950 -0.031 0.000 2.640 1117 F HA 0.273 4.800 4.527 0.001 0.000 0.329 1117 F C 1.768 177.419 175.800 -0.250 0.000 1.224 1117 F CA -0.198 57.645 58.000 -0.261 0.000 1.373 1117 F CB 0.339 38.660 39.000 -1.131 0.000 1.129 1117 F HN 0.647 nan 8.300 nan 0.000 0.610 1118 A N 1.100 123.940 122.820 0.033 0.000 2.132 1118 A HA 0.144 4.465 4.320 0.001 0.000 0.213 1118 A C 0.303 177.939 177.584 0.087 0.000 1.154 1118 A CA 0.160 52.189 52.037 -0.014 0.000 0.753 1118 A CB -0.972 18.093 19.000 0.109 0.000 0.826 1118 A HN 0.497 nan 8.150 nan 0.000 0.469 1119 F N -1.841 118.267 119.950 0.264 0.000 2.403 1119 F HA 0.752 5.279 4.527 0.001 0.000 0.326 1119 F C 0.659 176.648 175.800 0.314 0.000 1.081 1119 F CA -1.425 56.715 58.000 0.233 0.000 1.041 1119 F CB 0.089 39.181 39.000 0.152 0.000 1.234 1119 F HN 0.010 nan 8.300 nan 0.000 0.503 1120 G N -0.675 108.331 108.800 0.343 0.000 2.535 1120 G HA2 0.446 4.406 3.960 0.001 0.000 0.303 1120 G HA3 0.446 4.406 3.960 0.001 0.000 0.303 1120 G C 0.203 175.069 174.900 -0.058 0.000 1.237 1120 G CA -0.738 44.455 45.100 0.156 0.000 0.986 1120 G HN 1.120 nan 8.290 nan 0.000 0.494 1121 G N -0.820 107.592 108.800 -0.647 0.000 3.702 1121 G HA2 0.262 4.223 3.960 0.001 0.000 0.288 1121 G HA3 0.262 4.223 3.960 0.001 0.000 0.288 1121 G C 0.250 174.784 174.900 -0.610 0.000 1.193 1121 G CA -0.514 43.727 45.100 -1.431 0.000 0.952 1121 G HN 0.752 nan 8.290 nan 0.000 0.544 1122 N N -1.302 117.182 118.700 -0.360 0.000 2.524 1122 N HA 0.237 4.978 4.740 0.001 0.000 0.283 1122 N C 0.640 176.054 175.510 -0.161 0.000 1.142 1122 N CA -0.858 51.998 53.050 -0.322 0.000 0.984 1122 N CB 1.019 39.373 38.487 -0.223 0.000 1.155 1122 N HN -0.010 nan 8.380 nan 0.000 0.467 1123 Y N 0.182 120.487 120.300 0.007 0.000 2.181 1123 Y HA -0.245 4.305 4.550 0.001 0.000 0.284 1123 Y C 1.546 177.449 175.900 0.005 0.000 1.179 1123 Y CA 1.264 59.379 58.100 0.024 0.000 1.179 1123 Y CB -0.531 37.949 38.460 0.034 0.000 0.973 1123 Y HN 0.623 nan 8.280 nan 0.000 0.519 1124 D N -0.426 120.050 120.400 0.128 0.000 2.104 1124 D HA -0.182 4.458 4.640 0.001 0.000 0.194 1124 D C 2.320 178.651 176.300 0.052 0.000 0.994 1124 D CA 1.543 55.588 54.000 0.075 0.000 0.830 1124 D CB -0.146 40.680 40.800 0.043 0.000 0.959 1124 D HN 0.218 nan 8.370 nan 0.000 0.452 1125 R N 1.113 121.637 120.500 0.039 0.000 2.060 1125 R HA 0.009 4.350 4.340 0.001 0.000 0.225 1125 R C 2.540 178.849 176.300 0.015 0.000 1.155 1125 R CA 0.919 57.041 56.100 0.036 0.000 0.930 1125 R CB -1.027 29.320 30.300 0.078 0.000 0.829 1125 R HN 0.096 nan 8.270 nan 0.000 0.433 1126 L N 0.709 121.956 121.223 0.040 0.000 2.151 1126 L HA -0.254 4.087 4.340 0.001 0.000 0.215 1126 L C 2.367 179.269 176.870 0.053 0.000 1.084 1126 L CA 1.892 56.768 54.840 0.060 0.000 0.764 1126 L CB -0.606 41.534 42.059 0.134 0.000 0.891 1126 L HN 0.431 nan 8.230 nan 0.000 0.435 1127 E N -0.018 120.223 120.200 0.069 0.000 2.076 1127 E HA -0.242 4.109 4.350 0.001 0.000 0.190 1127 E C 2.152 178.760 176.600 0.013 0.000 0.979 1127 E CA 1.164 57.594 56.400 0.050 0.000 0.807 1127 E CB -0.014 29.723 29.700 0.061 0.000 0.761 1127 E HN 0.585 nan 8.360 nan 0.000 0.454 1128 Q N 1.029 120.831 119.800 0.003 0.000 2.181 1128 Q HA -0.161 4.180 4.340 0.001 0.000 0.205 1128 Q C 1.844 177.820 176.000 -0.041 0.000 0.980 1128 Q CA 1.471 57.266 55.803 -0.014 0.000 0.862 1128 Q CB -0.367 28.364 28.738 -0.011 0.000 0.905 1128 Q HN 0.262 nan 8.270 nan 0.000 0.429 1129 L N -0.732 120.449 121.223 -0.070 0.000 2.034 1129 L HA 0.140 4.481 4.340 0.001 0.000 0.203 1129 L C 2.246 179.078 176.870 -0.063 0.000 1.074 1129 L CA 1.130 55.900 54.840 -0.116 0.000 0.748 1129 L CB -0.576 41.346 42.059 -0.227 0.000 0.905 1129 L HN 0.505 nan 8.230 nan 0.000 0.439 1130 G N -1.184 107.600 108.800 -0.026 0.000 3.192 1130 G HA2 0.468 4.428 3.960 0.001 0.000 0.239 1130 G HA3 0.468 4.428 3.960 0.001 0.000 0.239 1130 G C 0.508 175.414 174.900 0.010 0.000 1.084 1130 G CA 0.449 45.549 45.100 -0.000 0.000 0.784 1130 G HN 0.566 nan 8.290 nan 0.000 0.540 1131 G N -0.396 108.409 108.800 0.008 0.000 2.555 1131 G HA2 -0.084 3.877 3.960 0.001 0.000 0.686 1131 G HA3 -0.084 3.877 3.960 0.001 0.000 0.686 1131 G C -0.429 174.478 174.900 0.011 0.000 1.275 1131 G CA -0.944 44.161 45.100 0.008 0.000 0.871 1131 G HN 0.487 nan 8.290 nan 0.000 0.603 1132 L N 0.511 121.735 121.223 0.001 0.000 2.416 1132 L HA 0.284 4.624 4.340 0.001 0.000 0.272 1132 L C 2.174 179.028 176.870 -0.027 0.000 1.161 1132 L CA -0.449 54.384 54.840 -0.012 0.000 0.845 1132 L CB 0.635 42.684 42.059 -0.017 0.000 1.119 1132 L HN 0.747 nan 8.230 nan 0.000 0.464 1133 R N 1.253 121.717 120.500 -0.060 0.000 2.139 1133 R HA -0.207 4.134 4.340 0.001 0.000 0.243 1133 R C 1.835 178.091 176.300 -0.074 0.000 1.145 1133 R CA 1.763 57.806 56.100 -0.095 0.000 0.976 1133 R CB -0.238 29.930 30.300 -0.220 0.000 0.866 1133 R HN 0.752 nan 8.270 nan 0.000 0.449 1134 E N -0.165 119.997 120.200 -0.064 0.000 2.409 1134 E HA -0.101 4.249 4.350 0.001 0.000 0.198 1134 E C 0.355 176.937 176.600 -0.030 0.000 1.024 1134 E CA 0.785 57.156 56.400 -0.047 0.000 0.861 1134 E CB 0.035 29.710 29.700 -0.042 0.000 0.788 1134 E HN 0.295 nan 8.360 nan 0.000 0.521 1135 N N 0.634 119.320 118.700 -0.024 0.000 2.200 1135 N HA 0.254 4.995 4.740 0.001 0.000 0.224 1135 N C -0.541 174.963 175.510 -0.010 0.000 1.179 1135 N CA 0.058 53.100 53.050 -0.014 0.000 0.877 1135 N CB 1.086 39.568 38.487 -0.009 0.000 1.072 1135 N HN 0.189 nan 8.380 nan 0.000 0.519 1136 I N 1.407 121.969 120.570 -0.013 0.000 2.389 1136 I HA 0.193 4.363 4.170 0.001 0.000 0.288 1136 I C -0.014 176.097 176.117 -0.010 0.000 0.999 1136 I CA -0.637 60.660 61.300 -0.005 0.000 1.129 1136 I CB 1.663 39.665 38.000 0.003 0.000 1.288 1136 I HN -0.216 nan 8.210 nan 0.000 0.444 1137 E N 6.595 126.791 120.200 -0.006 0.000 2.354 1137 E HA 0.467 4.818 4.350 0.001 0.000 0.269 1137 E C -0.950 175.643 176.600 -0.011 0.000 1.036 1137 E CA -0.443 55.950 56.400 -0.011 0.000 0.876 1137 E CB 1.503 31.197 29.700 -0.009 0.000 1.009 1137 E HN 0.420 nan 8.360 nan 0.000 0.416 1138 L N 1.451 122.663 121.223 -0.020 0.000 2.334 1138 L HA 0.772 5.113 4.340 0.001 0.000 0.273 1138 L C 0.482 177.331 176.870 -0.036 0.000 1.013 1138 L CA -0.462 54.364 54.840 -0.023 0.000 0.816 1138 L CB 1.866 43.909 42.059 -0.028 0.000 1.278 1138 L HN 0.794 nan 8.230 nan 0.000 0.431 1139 G N 0.087 108.860 108.800 -0.046 0.000 2.343 1139 G HA2 0.080 4.041 3.960 0.001 0.000 0.289 1139 G HA3 0.080 4.041 3.960 0.001 0.000 0.289 1139 G C 0.001 174.867 174.900 -0.057 0.000 1.295 1139 G CA -0.021 45.043 45.100 -0.061 0.000 0.869 1139 G HN 0.406 nan 8.290 nan 0.000 0.522 1140 T N 0.365 114.888 114.554 -0.053 0.000 2.904 1140 T HA 0.101 4.451 4.350 0.001 0.000 0.267 1140 T C 2.375 177.064 174.700 -0.017 0.000 1.059 1140 T CA 2.355 64.438 62.100 -0.029 0.000 1.137 1140 T CB -0.424 68.427 68.868 -0.029 0.000 0.879 1140 T HN 1.010 nan 8.240 nan 0.000 0.467 1141 G N 2.260 111.047 108.800 -0.022 0.000 2.424 1141 G HA2 -0.060 3.900 3.960 0.001 0.000 0.214 1141 G HA3 -0.060 3.900 3.960 0.001 0.000 0.214 1141 G C -0.740 174.155 174.900 -0.009 0.000 1.202 1141 G CA 0.308 45.398 45.100 -0.017 0.000 0.793 1141 G HN 0.359 nan 8.290 nan 0.000 0.534 1142 P HA -0.133 nan 4.420 nan 0.000 0.218 1142 P C 2.017 179.319 177.300 0.003 0.000 1.152 1142 P CA 0.742 63.842 63.100 -0.001 0.000 0.857 1142 P CB -0.040 31.658 31.700 -0.003 0.000 0.787 1143 L N -0.743 120.485 121.223 0.008 0.000 2.044 1143 L HA -0.179 4.162 4.340 0.001 0.000 0.205 1143 L C 2.459 179.331 176.870 0.002 0.000 1.075 1143 L CA 1.789 56.642 54.840 0.023 0.000 0.747 1143 L CB -0.640 41.456 42.059 0.061 0.000 0.903 1143 L HN -0.046 nan 8.230 nan 0.000 0.435 1144 E N 0.543 120.738 120.200 -0.007 0.000 2.070 1144 E HA -0.283 4.068 4.350 0.001 0.000 0.197 1144 E C 1.645 178.223 176.600 -0.037 0.000 1.004 1144 E CA 2.193 58.576 56.400 -0.028 0.000 0.805 1144 E CB -0.065 29.622 29.700 -0.022 0.000 0.744 1144 E HN 0.427 nan 8.360 nan 0.000 0.451 1145 D N -0.023 120.365 120.400 -0.020 0.000 2.144 1145 D HA -0.094 4.547 4.640 0.001 0.000 0.200 1145 D C 1.831 178.116 176.300 -0.025 0.000 0.978 1145 D CA 1.496 55.488 54.000 -0.014 0.000 0.833 1145 D CB -0.591 40.212 40.800 0.005 0.000 0.961 1145 D HN 0.355 nan 8.370 nan 0.000 0.470 1146 A N 1.031 123.836 122.820 -0.025 0.000 1.858 1146 A HA -0.140 4.180 4.320 0.001 0.000 0.216 1146 A C 2.365 179.904 177.584 -0.075 0.000 1.190 1146 A CA 0.919 52.932 52.037 -0.039 0.000 0.617 1146 A CB -0.826 18.161 19.000 -0.022 0.000 0.827 1146 A HN 0.182 nan 8.150 nan 0.000 0.443 1147 I N -0.163 120.364 120.570 -0.072 0.000 2.264 1147 I HA -0.257 3.913 4.170 0.001 0.000 0.248 1147 I C 2.664 178.702 176.117 -0.132 0.000 1.111 1147 I CA 1.446 62.690 61.300 -0.093 0.000 1.382 1147 I CB -0.263 37.685 38.000 -0.087 0.000 1.060 1147 I HN 0.267 nan 8.210 nan 0.000 0.418 1148 S N 0.554 116.153 115.700 -0.168 0.000 2.335 1148 S HA -0.105 4.365 4.470 0.001 0.000 0.217 1148 S C 2.311 176.745 174.600 -0.278 0.000 1.032 1148 S CA 1.201 59.202 58.200 -0.332 0.000 0.985 1148 S CB -0.367 62.681 63.200 -0.253 0.000 0.896 1148 S HN 0.529 nan 8.310 nan 0.000 0.445 1149 A N 1.816 124.590 122.820 -0.076 0.000 1.884 1149 A HA -0.161 4.159 4.320 0.001 0.000 0.219 1149 A C 2.137 179.754 177.584 0.055 0.000 1.197 1149 A CA 1.655 53.719 52.037 0.046 0.000 0.637 1149 A CB -1.093 17.928 19.000 0.034 0.000 0.827 1149 A HN 0.464 nan 8.150 nan 0.000 0.450 1150 L N -2.475 118.730 121.223 -0.029 0.000 2.012 1150 L HA -0.244 4.096 4.340 0.001 0.000 0.210 1150 L C 2.627 179.576 176.870 0.132 0.000 1.073 1150 L CA 2.114 56.951 54.840 -0.005 0.000 0.748 1150 L CB -0.715 41.254 42.059 -0.151 0.000 0.891 1150 L HN 0.610 nan 8.230 nan 0.000 0.431 1151 Y N -0.284 119.967 120.300 -0.082 0.000 2.145 1151 Y HA -0.297 4.254 4.550 0.001 0.000 0.286 1151 Y C 2.392 178.353 175.900 0.102 0.000 1.145 1151 Y CA 1.559 59.621 58.100 -0.063 0.000 1.148 1151 Y CB -0.475 37.831 38.460 -0.257 0.000 0.981 1151 Y HN 0.066 nan 8.280 nan 0.000 0.507 1152 Y N -2.165 118.248 120.300 0.188 0.000 2.574 1152 Y HA -0.288 4.262 4.550 0.001 0.000 0.294 1152 Y C 2.067 177.984 175.900 0.028 0.000 1.142 1152 Y CA 0.336 58.493 58.100 0.094 0.000 1.314 1152 Y CB -0.336 38.202 38.460 0.130 0.000 0.991 1152 Y HN 0.234 nan 8.280 nan 0.000 0.555 1153 Y N 1.425 121.780 120.300 0.091 0.000 2.128 1153 Y HA -0.349 4.202 4.550 0.001 0.000 0.284 1153 Y C 2.741 178.628 175.900 -0.021 0.000 1.154 1153 Y CA 1.538 59.638 58.100 -0.001 0.000 1.149 1153 Y CB -0.645 37.732 38.460 -0.138 0.000 0.976 1153 Y HN 0.124 nan 8.280 nan 0.000 0.505 1154 S N -1.655 114.051 115.700 0.010 0.000 2.488 1154 S HA -0.158 4.312 4.470 0.001 0.000 0.246 1154 S C 1.184 175.717 174.600 -0.112 0.000 0.992 1154 S CA 1.388 59.558 58.200 -0.050 0.000 0.963 1154 S CB -1.111 62.038 63.200 -0.086 0.000 0.754 1154 S HN 0.573 nan 8.310 nan 0.000 0.519 1155 T N -3.669 110.822 114.554 -0.106 0.000 3.380 1155 T HA 0.425 4.775 4.350 0.001 0.000 0.289 1155 T C 0.489 175.117 174.700 -0.120 0.000 1.012 1155 T CA 0.037 62.079 62.100 -0.097 0.000 0.944 1155 T CB -0.977 67.858 68.868 -0.054 0.000 1.172 1155 T HN 0.396 nan 8.240 nan 0.000 0.502 1156 C N 0.601 119.785 119.300 -0.194 0.000 4.265 1156 C HA -0.193 4.268 4.460 0.001 0.000 0.287 1156 C C 2.438 177.364 174.990 -0.107 0.000 1.451 1156 C CA 0.700 59.599 59.018 -0.199 0.000 1.966 1156 C CB -2.046 25.600 27.740 -0.156 0.000 1.302 1156 C HN 0.903 nan 8.230 nan 0.000 0.794 1157 G N -0.921 107.848 108.800 -0.051 0.000 2.572 1157 G HA2 0.240 4.201 3.960 0.001 0.000 0.216 1157 G HA3 0.240 4.201 3.960 0.001 0.000 0.216 1157 G C 0.443 175.399 174.900 0.093 0.000 1.133 1157 G CA 1.498 46.593 45.100 -0.010 0.000 0.791 1157 G HN 0.606 nan 8.290 nan 0.000 0.538 1158 T N 0.838 115.475 114.554 0.137 0.000 2.841 1158 T HA 0.526 4.877 4.350 0.001 0.000 0.283 1158 T C -0.750 174.105 174.700 0.258 0.000 1.000 1158 T CA -0.678 61.559 62.100 0.227 0.000 0.977 1158 T CB 2.485 71.558 68.868 0.342 0.000 0.979 1158 T HN -0.098 nan 8.240 nan 0.000 0.446 1159 Q N 1.354 121.268 119.800 0.191 0.000 2.199 1159 Q HA 0.483 4.824 4.340 0.001 0.000 0.232 1159 Q C 1.579 177.694 176.000 0.193 0.000 0.969 1159 Q CA -0.743 55.169 55.803 0.181 0.000 0.925 1159 Q CB 1.148 29.941 28.738 0.090 0.000 1.198 1159 Q HN 0.640 nan 8.270 nan 0.000 0.494 1160 I N 1.498 122.156 120.570 0.146 0.000 2.127 1160 I HA -0.246 3.925 4.170 0.001 0.000 0.241 1160 I C -0.804 175.282 176.117 -0.052 0.000 1.075 1160 I CA 1.157 62.457 61.300 -0.000 0.000 1.334 1160 I CB -1.263 36.689 38.000 -0.081 0.000 1.040 1160 I HN 0.489 nan 8.210 nan 0.000 0.405 1161 P HA -0.202 nan 4.420 nan 0.000 0.217 1161 P C 1.646 178.951 177.300 0.008 0.000 1.158 1161 P CA 1.976 65.059 63.100 -0.029 0.000 0.887 1161 P CB -0.181 31.511 31.700 -0.013 0.000 0.792 1162 T N -0.439 114.132 114.554 0.028 0.000 2.708 1162 T HA -0.162 4.188 4.350 0.001 0.000 0.266 1162 T C 1.720 176.441 174.700 0.034 0.000 1.037 1162 T CA 1.071 63.196 62.100 0.041 0.000 1.146 1162 T CB -1.009 67.897 68.868 0.063 0.000 0.865 1162 T HN -0.004 nan 8.240 nan 0.000 0.435 1163 L N 1.030 122.263 121.223 0.017 0.000 2.079 1163 L HA -0.061 4.279 4.340 0.001 0.000 0.210 1163 L C 2.529 179.467 176.870 0.112 0.000 1.081 1163 L CA 1.760 56.579 54.840 -0.036 0.000 0.752 1163 L CB -0.854 41.093 42.059 -0.186 0.000 0.896 1163 L HN 0.246 nan 8.230 nan 0.000 0.433 1164 A N -0.422 122.481 122.820 0.138 0.000 1.828 1164 A HA -0.222 4.098 4.320 0.001 0.000 0.215 1164 A C 2.348 180.064 177.584 0.220 0.000 1.203 1164 A CA 1.825 53.999 52.037 0.227 0.000 0.614 1164 A CB -0.657 18.386 19.000 0.072 0.000 0.844 1164 A HN 0.435 nan 8.150 nan 0.000 0.445 1165 R N -0.151 120.420 120.500 0.119 0.000 2.134 1165 R HA -0.167 4.173 4.340 0.001 0.000 0.248 1165 R C 2.560 178.923 176.300 0.106 0.000 1.143 1165 R CA 1.843 58.002 56.100 0.098 0.000 0.957 1165 R CB -0.703 29.630 30.300 0.055 0.000 0.867 1165 R HN 0.545 nan 8.270 nan 0.000 0.441 1166 S N 0.485 116.225 115.700 0.067 0.000 2.359 1166 S HA -0.148 4.322 4.470 0.001 0.000 0.224 1166 S C 1.684 176.316 174.600 0.053 0.000 1.035 1166 S CA 1.337 59.541 58.200 0.008 0.000 1.018 1166 S CB -0.347 62.796 63.200 -0.094 0.000 0.876 1166 S HN 0.175 nan 8.310 nan 0.000 0.448 1167 F N 1.694 121.710 119.950 0.110 0.000 2.095 1167 F HA -0.047 4.480 4.527 0.001 0.000 0.298 1167 F C 2.405 178.285 175.800 0.132 0.000 1.104 1167 F CA 1.017 59.108 58.000 0.152 0.000 1.232 1167 F CB -0.647 38.526 39.000 0.289 0.000 0.987 1167 F HN 0.148 nan 8.300 nan 0.000 0.475 1168 M N -1.074 118.736 119.600 0.350 0.000 2.149 1168 M HA -0.222 4.259 4.480 0.001 0.000 0.261 1168 M C 2.157 178.571 176.300 0.189 0.000 1.064 1168 M CA 1.220 56.691 55.300 0.284 0.000 1.102 1168 M CB -0.604 32.138 32.600 0.238 0.000 1.369 1168 M HN -0.021 nan 8.290 nan 0.000 0.408 1169 V N -0.451 119.544 119.914 0.136 0.000 2.295 1169 V HA -0.310 3.811 4.120 0.001 0.000 0.246 1169 V C 2.353 178.505 176.094 0.097 0.000 1.049 1169 V CA 1.779 64.130 62.300 0.085 0.000 1.024 1169 V CB -0.492 31.364 31.823 0.054 0.000 0.648 1169 V HN 0.587 nan 8.190 nan 0.000 0.447 1170 C N -0.399 118.969 119.300 0.113 0.000 2.432 1170 C HA -0.108 4.352 4.460 0.001 0.000 0.277 1170 C C 2.561 177.619 174.990 0.113 0.000 1.249 1170 C CA 0.743 59.831 59.018 0.118 0.000 1.725 1170 C CB -0.907 26.905 27.740 0.120 0.000 2.028 1170 C HN 0.509 nan 8.230 nan 0.000 0.477 1171 I N 0.594 121.229 120.570 0.110 0.000 2.091 1171 I HA -0.346 3.825 4.170 0.001 0.000 0.239 1171 I C 2.716 178.858 176.117 0.041 0.000 1.061 1171 I CA 1.864 63.153 61.300 -0.020 0.000 1.317 1171 I CB -0.748 37.200 38.000 -0.086 0.000 1.031 1171 I HN 0.510 nan 8.210 nan 0.000 0.401 1172 Q N 0.230 120.103 119.800 0.121 0.000 1.975 1172 Q HA -0.226 4.115 4.340 0.001 0.000 0.205 1172 Q C 2.245 178.302 176.000 0.094 0.000 0.990 1172 Q CA 1.710 57.576 55.803 0.105 0.000 0.845 1172 Q CB -0.249 28.527 28.738 0.063 0.000 0.913 1172 Q HN 0.484 nan 8.270 nan 0.000 0.420 1173 M N -0.260 119.401 119.600 0.102 0.000 2.530 1173 M HA -0.139 4.341 4.480 0.001 0.000 0.261 1173 M C 1.398 177.828 176.300 0.217 0.000 1.067 1173 M CA 1.170 56.560 55.300 0.150 0.000 1.071 1173 M CB -0.065 32.600 32.600 0.109 0.000 1.405 1173 M HN 0.291 nan 8.290 nan 0.000 0.478 1174 I N -2.946 117.707 120.570 0.139 0.000 3.739 1174 I HA -0.020 4.150 4.170 0.001 0.000 0.272 1174 I C 2.036 178.142 176.117 -0.019 0.000 1.167 1174 I CA 0.145 61.502 61.300 0.096 0.000 1.386 1174 I CB -0.010 38.095 38.000 0.175 0.000 1.490 1174 I HN -0.028 nan 8.210 nan 0.000 0.452 1175 S N 0.939 116.626 115.700 -0.021 0.000 2.329 1175 S HA -0.085 4.385 4.470 0.001 0.000 0.215 1175 S C 1.797 176.372 174.600 -0.042 0.000 1.031 1175 S CA 1.127 59.285 58.200 -0.070 0.000 0.985 1175 S CB -0.195 62.921 63.200 -0.140 0.000 0.917 1175 S HN 0.318 nan 8.310 nan 0.000 0.441 1176 E N 1.892 122.112 120.200 0.033 0.000 2.118 1176 E HA -0.110 4.240 4.350 0.001 0.000 0.195 1176 E C 2.190 178.906 176.600 0.193 0.000 0.992 1176 E CA 1.152 57.630 56.400 0.130 0.000 0.804 1176 E CB -0.509 29.255 29.700 0.107 0.000 0.741 1176 E HN 0.493 nan 8.360 nan 0.000 0.458 1177 A N 1.097 123.985 122.820 0.113 0.000 2.067 1177 A HA 0.055 4.376 4.320 0.001 0.000 0.219 1177 A C 2.303 179.907 177.584 0.033 0.000 1.158 1177 A CA 1.532 53.636 52.037 0.111 0.000 0.661 1177 A CB -0.229 18.851 19.000 0.135 0.000 0.801 1177 A HN 0.249 nan 8.150 nan 0.000 0.452 1178 A N -0.535 122.268 122.820 -0.029 0.000 2.030 1178 A HA 0.073 4.393 4.320 0.001 0.000 0.215 1178 A C 2.170 179.731 177.584 -0.039 0.000 1.164 1178 A CA 0.855 52.839 52.037 -0.089 0.000 0.697 1178 A CB -0.218 18.695 19.000 -0.144 0.000 0.827 1178 A HN 0.498 nan 8.150 nan 0.000 0.457 1179 R N -1.719 118.768 120.500 -0.020 0.000 2.093 1179 R HA 0.118 4.459 4.340 0.001 0.000 0.224 1179 R C -0.703 175.518 176.300 -0.132 0.000 1.101 1179 R CA 0.635 56.655 56.100 -0.133 0.000 0.979 1179 R CB 0.001 30.023 30.300 -0.464 0.000 0.877 1179 R HN 0.454 nan 8.270 nan 0.000 0.441 1180 F N 1.151 121.144 119.950 0.072 0.000 2.493 1180 F HA 0.187 4.715 4.527 0.001 0.000 0.329 1180 F C 1.050 176.925 175.800 0.125 0.000 1.126 1180 F CA -1.203 56.885 58.000 0.146 0.000 0.937 1180 F CB 1.704 40.822 39.000 0.196 0.000 1.146 1180 F HN -0.133 nan 8.300 nan 0.000 0.442 1181 Q N 2.243 122.211 119.800 0.279 0.000 2.297 1181 Q HA -0.208 4.132 4.340 0.001 0.000 0.204 1181 Q C 1.649 177.781 176.000 0.220 0.000 0.962 1181 Q CA 1.418 57.331 55.803 0.184 0.000 0.879 1181 Q CB -0.767 28.047 28.738 0.128 0.000 0.947 1181 Q HN 0.856 nan 8.270 nan 0.000 0.462 1182 Y N 1.588 122.005 120.300 0.195 0.000 2.181 1182 Y HA -0.140 4.411 4.550 0.001 0.000 0.288 1182 Y C 2.023 177.991 175.900 0.112 0.000 1.146 1182 Y CA 1.388 59.579 58.100 0.152 0.000 1.164 1182 Y CB -0.108 38.460 38.460 0.180 0.000 0.982 1182 Y HN -0.001 nan 8.280 nan 0.000 0.515 1183 I N 0.092 120.813 120.570 0.252 0.000 2.286 1183 I HA -0.234 3.936 4.170 0.001 0.000 0.245 1183 I C 2.511 178.678 176.117 0.082 0.000 1.104 1183 I CA 1.594 62.959 61.300 0.108 0.000 1.397 1183 I CB -0.441 37.632 38.000 0.121 0.000 1.072 1183 I HN 0.286 nan 8.210 nan 0.000 0.417 1184 E N 1.191 121.472 120.200 0.135 0.000 2.209 1184 E HA -0.221 4.129 4.350 0.001 0.000 0.196 1184 E C 2.142 178.840 176.600 0.164 0.000 0.993 1184 E CA 1.452 57.952 56.400 0.167 0.000 0.819 1184 E CB -0.122 29.609 29.700 0.052 0.000 0.745 1184 E HN 0.538 nan 8.360 nan 0.000 0.477 1185 G N 0.686 109.510 108.800 0.040 0.000 2.408 1185 G HA2 -0.193 3.768 3.960 0.001 0.000 0.215 1185 G HA3 -0.193 3.768 3.960 0.001 0.000 0.215 1185 G C 1.426 176.284 174.900 -0.069 0.000 1.156 1185 G CA 0.213 45.304 45.100 -0.014 0.000 0.793 1185 G HN 0.176 nan 8.290 nan 0.000 0.535 1186 E N 0.052 120.161 120.200 -0.151 0.000 2.160 1186 E HA -0.089 4.262 4.350 0.001 0.000 0.195 1186 E C 2.478 179.029 176.600 -0.082 0.000 0.991 1186 E CA 0.790 57.094 56.400 -0.160 0.000 0.810 1186 E CB -0.099 29.493 29.700 -0.181 0.000 0.742 1186 E HN 0.333 nan 8.360 nan 0.000 0.466 1187 M N -0.491 119.094 119.600 -0.025 0.000 2.325 1187 M HA 0.002 4.483 4.480 0.001 0.000 0.265 1187 M C 2.171 178.411 176.300 -0.100 0.000 1.094 1187 M CA 0.744 55.989 55.300 -0.091 0.000 1.161 1187 M CB -0.846 31.688 32.600 -0.111 0.000 1.358 1187 M HN -0.003 nan 8.290 nan 0.000 0.446 1188 R N 0.562 121.102 120.500 0.068 0.000 2.096 1188 R HA -0.181 4.160 4.340 0.001 0.000 0.240 1188 R C 2.223 178.550 176.300 0.045 0.000 1.139 1188 R CA 2.465 58.636 56.100 0.118 0.000 0.952 1188 R CB -0.321 30.071 30.300 0.153 0.000 0.854 1188 R HN 0.558 nan 8.270 nan 0.000 0.436 1189 T N -2.023 112.533 114.554 0.003 0.000 2.857 1189 T HA -0.069 4.281 4.350 0.001 0.000 0.266 1189 T C 1.906 176.603 174.700 -0.006 0.000 1.048 1189 T CA 0.774 62.867 62.100 -0.013 0.000 1.139 1189 T CB -0.230 68.579 68.868 -0.098 0.000 0.874 1189 T HN 0.281 nan 8.240 nan 0.000 0.455 1190 R N 0.603 121.077 120.500 -0.043 0.000 2.091 1190 R HA 0.074 4.415 4.340 0.001 0.000 0.238 1190 R C 2.536 178.836 176.300 -0.000 0.000 1.136 1190 R CA 1.720 57.799 56.100 -0.035 0.000 0.959 1190 R CB -0.589 29.667 30.300 -0.072 0.000 0.856 1190 R HN 0.458 nan 8.270 nan 0.000 0.437 1191 I N 0.161 120.713 120.570 -0.029 0.000 2.179 1191 I HA -0.282 3.888 4.170 0.001 0.000 0.242 1191 I C 2.575 178.723 176.117 0.052 0.000 1.088 1191 I CA 0.991 62.283 61.300 -0.013 0.000 1.357 1191 I CB -0.300 37.676 38.000 -0.039 0.000 1.051 1191 I HN 0.092 nan 8.210 nan 0.000 0.409 1192 R N 1.619 122.182 120.500 0.105 0.000 2.171 1192 R HA -0.250 4.091 4.340 0.001 0.000 0.226 1192 R C 1.772 178.159 176.300 0.146 0.000 1.113 1192 R CA 2.137 58.330 56.100 0.155 0.000 0.887 1192 R CB -1.262 29.215 30.300 0.296 0.000 0.830 1192 R HN 0.254 nan 8.270 nan 0.000 0.432 1193 Y N 1.153 121.442 120.300 -0.018 0.000 2.506 1193 Y HA 0.081 4.632 4.550 0.001 0.000 0.335 1193 Y C 0.444 176.329 175.900 -0.025 0.000 1.218 1193 Y CA 0.491 58.580 58.100 -0.019 0.000 1.260 1193 Y CB -1.519 36.930 38.460 -0.018 0.000 1.085 1193 Y HN 0.383 nan 8.280 nan 0.000 0.495 1194 N N 1.235 119.988 118.700 0.090 0.000 2.704 1194 N HA -0.294 4.447 4.740 0.001 0.000 0.259 1194 N C 0.190 175.722 175.510 0.036 0.000 0.957 1194 N CA 0.438 53.508 53.050 0.033 0.000 0.804 1194 N CB -0.299 38.187 38.487 -0.001 0.000 0.917 1194 N HN 0.442 nan 8.380 nan 0.000 0.545 1195 R N 0.604 121.135 120.500 0.051 0.000 2.598 1195 R HA 0.484 4.825 4.340 0.001 0.000 0.279 1195 R C -0.424 175.875 176.300 -0.001 0.000 0.984 1195 R CA -0.935 55.183 56.100 0.030 0.000 0.999 1195 R CB 0.744 31.068 30.300 0.039 0.000 1.114 1195 R HN 0.366 nan 8.270 nan 0.000 0.493 1196 R N 0.882 121.378 120.500 -0.007 0.000 2.476 1196 R HA 0.499 4.839 4.340 0.001 0.000 0.305 1196 R C -1.614 174.677 176.300 -0.016 0.000 0.965 1196 R CA -0.687 55.403 56.100 -0.016 0.000 0.867 1196 R CB 1.799 32.092 30.300 -0.013 0.000 1.176 1196 R HN 0.699 nan 8.270 nan 0.000 0.447 1197 S N 1.601 117.287 115.700 -0.024 0.000 2.570 1197 S HA 0.769 5.240 4.470 0.001 0.000 0.270 1197 S C -0.400 174.184 174.600 -0.026 0.000 1.149 1197 S CA -0.899 57.287 58.200 -0.023 0.000 0.837 1197 S CB 1.572 64.756 63.200 -0.026 0.000 1.124 1197 S HN 0.871 nan 8.310 nan 0.000 0.465 1198 A N 2.040 124.846 122.820 -0.024 0.000 2.406 1198 A HA 0.668 4.988 4.320 0.001 0.000 0.243 1198 A C -2.255 175.309 177.584 -0.034 0.000 1.082 1198 A CA -1.269 50.751 52.037 -0.028 0.000 0.786 1198 A CB -0.779 18.206 19.000 -0.025 0.000 1.029 1198 A HN 0.705 nan 8.150 nan 0.000 0.495 1199 P HA 0.152 nan 4.420 nan 0.000 0.275 1199 P C -0.974 176.305 177.300 -0.035 0.000 1.228 1199 P CA -0.187 62.886 63.100 -0.044 0.000 0.786 1199 P CB 0.745 32.403 31.700 -0.070 0.000 0.927 1200 D N 2.622 123.012 120.400 -0.015 0.000 2.388 1200 D HA 0.188 4.829 4.640 0.001 0.000 0.254 1200 D C -2.050 174.249 176.300 -0.003 0.000 1.111 1200 D CA -1.903 52.095 54.000 -0.004 0.000 0.993 1200 D CB 0.091 40.900 40.800 0.015 0.000 1.118 1200 D HN 0.025 nan 8.370 nan 0.000 0.502 1201 P HA -0.317 nan 4.420 nan 0.000 0.218 1201 P C 1.852 179.144 177.300 -0.015 0.000 1.165 1201 P CA 3.002 66.095 63.100 -0.013 0.000 0.922 1201 P CB -0.134 31.566 31.700 0.001 0.000 0.794 1202 S N -0.975 114.741 115.700 0.028 0.000 2.380 1202 S HA -0.231 4.240 4.470 0.001 0.000 0.229 1202 S C 2.011 176.604 174.600 -0.011 0.000 1.050 1202 S CA 2.446 60.660 58.200 0.024 0.000 1.100 1202 S CB -1.832 61.449 63.200 0.135 0.000 0.984 1202 S HN -0.017 nan 8.310 nan 0.000 0.434 1203 V N 2.386 122.341 119.914 0.068 0.000 2.287 1203 V HA -0.176 3.945 4.120 0.001 0.000 0.248 1203 V C 2.567 178.589 176.094 -0.119 0.000 1.053 1203 V CA 2.154 64.462 62.300 0.013 0.000 1.027 1203 V CB -0.877 30.961 31.823 0.024 0.000 0.646 1203 V HN 0.520 nan 8.190 nan 0.000 0.447 1204 I N 0.025 120.532 120.570 -0.105 0.000 2.113 1204 I HA -0.261 3.910 4.170 0.001 0.000 0.238 1204 I C 2.610 178.650 176.117 -0.128 0.000 1.070 1204 I CA 2.129 63.343 61.300 -0.143 0.000 1.332 1204 I CB -0.808 37.119 38.000 -0.121 0.000 1.044 1204 I HN 0.333 nan 8.210 nan 0.000 0.402 1205 T N 1.345 115.836 114.554 -0.104 0.000 2.699 1205 T HA -0.206 4.145 4.350 0.001 0.000 0.268 1205 T C 1.879 176.522 174.700 -0.096 0.000 1.036 1205 T CA 1.196 63.240 62.100 -0.093 0.000 1.147 1205 T CB -0.411 68.390 68.868 -0.112 0.000 0.862 1205 T HN 0.080 nan 8.240 nan 0.000 0.446 1206 L N 1.897 123.019 121.223 -0.170 0.000 2.021 1206 L HA -0.181 4.159 4.340 0.001 0.000 0.215 1206 L C 2.533 179.239 176.870 -0.273 0.000 1.074 1206 L CA 1.884 56.567 54.840 -0.262 0.000 0.760 1206 L CB -0.899 40.850 42.059 -0.517 0.000 0.889 1206 L HN 0.534 nan 8.230 nan 0.000 0.433 1207 E N -2.257 117.771 120.200 -0.286 0.000 2.208 1207 E HA -0.146 4.205 4.350 0.001 0.000 0.193 1207 E C 1.565 178.300 176.600 0.226 0.000 0.988 1207 E CA 0.896 57.294 56.400 -0.003 0.000 0.828 1207 E CB -0.430 29.273 29.700 0.006 0.000 0.763 1207 E HN 0.485 nan 8.360 nan 0.000 0.478 1208 N N 0.809 119.579 118.700 0.116 0.000 2.396 1208 N HA -0.011 4.730 4.740 0.001 0.000 0.180 1208 N C 1.078 176.668 175.510 0.134 0.000 1.028 1208 N CA 0.803 53.931 53.050 0.130 0.000 0.893 1208 N CB 0.243 38.758 38.487 0.047 0.000 0.967 1208 N HN 0.081 nan 8.380 nan 0.000 0.440 1209 S N -0.745 115.049 115.700 0.157 0.000 2.540 1209 S HA 0.035 4.505 4.470 0.001 0.000 0.218 1209 S C 1.183 175.922 174.600 0.231 0.000 0.977 1209 S CA -0.691 57.588 58.200 0.131 0.000 0.918 1209 S CB 0.226 63.459 63.200 0.055 0.000 0.806 1209 S HN 0.436 nan 8.310 nan 0.000 0.496 1210 W N 3.323 124.771 121.300 0.247 0.000 2.304 1210 W HA -0.222 4.439 4.660 0.001 0.000 0.315 1210 W C 2.083 178.622 176.519 0.032 0.000 1.233 1210 W CA 1.808 59.295 57.345 0.237 0.000 1.261 1210 W CB -0.918 28.744 29.460 0.336 0.000 1.150 1210 W HN 0.297 nan 8.180 nan 0.000 0.494 1211 G N -0.176 108.650 108.800 0.043 0.000 2.453 1211 G HA2 -0.267 3.694 3.960 0.001 0.000 0.215 1211 G HA3 -0.267 3.694 3.960 0.001 0.000 0.215 1211 G C 1.616 176.361 174.900 -0.258 0.000 1.201 1211 G CA 1.107 46.087 45.100 -0.200 0.000 0.784 1211 G HN 0.260 nan 8.290 nan 0.000 0.545 1212 R N -0.678 119.727 120.500 -0.160 0.000 2.139 1212 R HA -0.069 4.271 4.340 0.001 0.000 0.243 1212 R C 2.502 178.620 176.300 -0.303 0.000 1.145 1212 R CA 0.891 56.868 56.100 -0.204 0.000 0.976 1212 R CB -0.395 29.812 30.300 -0.154 0.000 0.866 1212 R HN 0.259 nan 8.270 nan 0.000 0.449 1213 L N 0.134 121.184 121.223 -0.288 0.000 2.005 1213 L HA -0.096 4.244 4.340 0.001 0.000 0.207 1213 L C 2.212 178.835 176.870 -0.411 0.000 1.072 1213 L CA 1.693 56.331 54.840 -0.337 0.000 0.744 1213 L CB -0.837 41.105 42.059 -0.194 0.000 0.895 1213 L HN -0.002 nan 8.230 nan 0.000 0.433 1214 S N -1.371 114.016 115.700 -0.521 0.000 2.440 1214 S HA -0.191 4.279 4.470 0.001 0.000 0.240 1214 S C 1.825 176.186 174.600 -0.398 0.000 1.014 1214 S CA 1.562 59.435 58.200 -0.544 0.000 0.980 1214 S CB -0.297 62.407 63.200 -0.827 0.000 0.775 1214 S HN 0.519 nan 8.310 nan 0.000 0.499 1215 T N 1.578 115.912 114.554 -0.368 0.000 2.914 1215 T HA 0.207 4.557 4.350 0.001 0.000 0.240 1215 T C 2.237 176.740 174.700 -0.327 0.000 1.025 1215 T CA 0.771 62.693 62.100 -0.297 0.000 1.198 1215 T CB -0.603 68.116 68.868 -0.248 0.000 0.892 1215 T HN 0.363 nan 8.240 nan 0.000 0.417 1216 A N 1.433 123.988 122.820 -0.441 0.000 1.915 1216 A HA -0.177 4.143 4.320 0.001 0.000 0.220 1216 A C 2.241 179.499 177.584 -0.543 0.000 1.198 1216 A CA 1.893 53.543 52.037 -0.645 0.000 0.647 1216 A CB -1.140 17.152 19.000 -1.181 0.000 0.825 1216 A HN 0.571 nan 8.150 nan 0.000 0.456 1217 I N -1.212 119.083 120.570 -0.459 0.000 2.113 1217 I HA -0.312 3.858 4.170 0.001 0.000 0.238 1217 I C 2.885 178.851 176.117 -0.251 0.000 1.070 1217 I CA 1.833 63.052 61.300 -0.134 0.000 1.332 1217 I CB -0.581 37.335 38.000 -0.140 0.000 1.044 1217 I HN 0.453 nan 8.210 nan 0.000 0.402 1218 Q N 0.623 120.266 119.800 -0.261 0.000 2.124 1218 Q HA -0.203 4.138 4.340 0.001 0.000 0.202 1218 Q C 0.578 176.477 176.000 -0.169 0.000 0.977 1218 Q CA 1.302 56.965 55.803 -0.232 0.000 0.850 1218 Q CB -0.049 28.544 28.738 -0.241 0.000 0.901 1218 Q HN 0.606 nan 8.270 nan 0.000 0.429 1219 E N 0.726 120.838 120.200 -0.147 0.000 2.597 1219 E HA 0.242 4.593 4.350 0.001 0.000 0.235 1219 E C -0.870 175.706 176.600 -0.041 0.000 1.155 1219 E CA -0.428 55.920 56.400 -0.088 0.000 1.199 1219 E CB 0.673 30.321 29.700 -0.088 0.000 1.409 1219 E HN 0.006 nan 8.360 nan 0.000 0.453 1220 S N 0.616 116.310 115.700 -0.011 0.000 2.634 1220 S HA 0.319 4.789 4.470 0.001 0.000 0.296 1220 S C 0.360 175.008 174.600 0.080 0.000 1.104 1220 S CA -0.930 57.316 58.200 0.077 0.000 0.920 1220 S CB 1.707 64.993 63.200 0.144 0.000 1.111 1220 S HN 0.238 nan 8.310 nan 0.000 0.493 1221 N N 0.646 119.402 118.700 0.094 0.000 2.085 1221 N HA -0.010 4.731 4.740 0.001 0.000 0.191 1221 N C 0.090 175.671 175.510 0.119 0.000 1.058 1221 N CA 1.298 54.396 53.050 0.079 0.000 0.849 1221 N CB -0.159 38.361 38.487 0.055 0.000 1.038 1221 N HN 0.797 nan 8.380 nan 0.000 0.434 1222 Q N -1.170 118.706 119.800 0.127 0.000 2.563 1222 Q HA 0.345 4.685 4.340 0.001 0.000 0.367 1222 Q C -0.191 175.918 176.000 0.181 0.000 0.845 1222 Q CA 0.066 55.951 55.803 0.137 0.000 1.077 1222 Q CB 1.101 29.855 28.738 0.028 0.000 1.409 1222 Q HN 0.583 nan 8.270 nan 0.000 0.396 1223 G N 0.383 109.388 108.800 0.342 0.000 2.195 1223 G HA2 -0.304 3.656 3.960 0.001 0.000 0.246 1223 G HA3 -0.304 3.656 3.960 0.001 0.000 0.246 1223 G C 0.267 175.082 174.900 -0.142 0.000 0.984 1223 G CA -0.039 45.160 45.100 0.166 0.000 0.633 1223 G HN 0.592 nan 8.290 nan 0.000 0.525 1224 A N 0.575 123.365 122.820 -0.051 0.000 2.289 1224 A HA 0.730 5.050 4.320 0.001 0.000 0.298 1224 A C -0.114 177.499 177.584 0.048 0.000 1.208 1224 A CA -0.433 51.545 52.037 -0.099 0.000 0.845 1224 A CB 0.230 19.221 19.000 -0.015 0.000 1.125 1224 A HN 0.529 nan 8.150 nan 0.000 0.517 1225 F N 1.643 121.624 119.950 0.052 0.000 2.412 1225 F HA 0.437 4.965 4.527 0.001 0.000 0.348 1225 F C 1.481 177.308 175.800 0.044 0.000 1.102 1225 F CA -0.531 57.481 58.000 0.020 0.000 1.196 1225 F CB 0.880 39.878 39.000 -0.002 0.000 1.144 1225 F HN 0.698 nan 8.300 nan 0.000 0.541 1226 A N 2.085 125.036 122.820 0.217 0.000 1.972 1226 A HA -0.004 4.316 4.320 0.001 0.000 0.219 1226 A C 0.847 178.512 177.584 0.135 0.000 1.169 1226 A CA 1.486 53.600 52.037 0.128 0.000 0.635 1226 A CB -0.583 18.458 19.000 0.068 0.000 0.810 1226 A HN 0.638 nan 8.150 nan 0.000 0.446 1227 S N -0.686 115.094 115.700 0.133 0.000 2.536 1227 S HA 0.658 5.129 4.470 0.001 0.000 0.287 1227 S C -3.082 171.580 174.600 0.104 0.000 1.101 1227 S CA -1.685 56.573 58.200 0.098 0.000 0.950 1227 S CB 2.417 65.627 63.200 0.016 0.000 1.056 1227 S HN 0.161 nan 8.310 nan 0.000 0.481 1228 P HA 0.405 nan 4.420 nan 0.000 0.274 1228 P C -0.962 176.252 177.300 -0.142 0.000 1.237 1228 P CA -0.559 62.455 63.100 -0.143 0.000 0.793 1228 P CB 0.476 31.826 31.700 -0.583 0.000 0.977 1229 I N 1.280 121.763 120.570 -0.145 0.000 2.406 1229 I HA 0.291 4.461 4.170 0.001 0.000 0.290 1229 I C 0.597 176.589 176.117 -0.208 0.000 0.999 1229 I CA -0.689 60.512 61.300 -0.165 0.000 1.124 1229 I CB 1.204 39.110 38.000 -0.158 0.000 1.289 1229 I HN 0.468 nan 8.210 nan 0.000 0.441 1230 Q N 6.157 125.829 119.800 -0.214 0.000 2.267 1230 Q HA 0.589 4.929 4.340 0.001 0.000 0.255 1230 Q C -1.431 174.346 176.000 -0.372 0.000 0.923 1230 Q CA -0.243 55.393 55.803 -0.279 0.000 0.925 1230 Q CB 1.350 29.972 28.738 -0.193 0.000 1.195 1230 Q HN 0.593 nan 8.270 nan 0.000 0.417 1231 L N 2.095 122.901 121.223 -0.696 0.000 2.235 1231 L HA 0.553 4.894 4.340 0.001 0.000 0.260 1231 L C -0.558 175.810 176.870 -0.836 0.000 1.025 1231 L CA -1.049 53.328 54.840 -0.771 0.000 0.836 1231 L CB 2.389 43.920 42.059 -0.880 0.000 1.395 1231 L HN 0.653 nan 8.230 nan 0.000 0.443 1232 Q N -0.072 119.465 119.800 -0.439 0.000 2.423 1232 Q HA 0.525 4.865 4.340 0.001 0.000 0.278 1232 Q C -1.334 174.782 176.000 0.195 0.000 1.097 1232 Q CA -0.897 54.851 55.803 -0.092 0.000 0.809 1232 Q CB 3.194 31.898 28.738 -0.057 0.000 1.391 1232 Q HN 0.426 nan 8.270 nan 0.000 0.428 1233 R N 0.656 121.327 120.500 0.285 0.000 2.553 1233 R HA 0.267 4.608 4.340 0.001 0.000 0.263 1233 R C 1.285 177.665 176.300 0.134 0.000 1.066 1233 R CA -0.576 55.667 56.100 0.238 0.000 1.135 1233 R CB 0.653 31.059 30.300 0.176 0.000 1.148 1233 R HN 0.650 nan 8.270 nan 0.000 0.558 1234 R N 0.964 121.538 120.500 0.124 0.000 2.249 1234 R HA -0.152 4.188 4.340 0.001 0.000 0.230 1234 R C 0.313 176.648 176.300 0.058 0.000 1.121 1234 R CA 2.141 58.296 56.100 0.091 0.000 0.997 1234 R CB -0.501 29.852 30.300 0.087 0.000 0.867 1234 R HN 0.681 nan 8.270 nan 0.000 0.465 1235 N N -0.652 118.084 118.700 0.059 0.000 2.322 1235 N HA 0.128 4.868 4.740 0.001 0.000 0.194 1235 N C 1.014 176.549 175.510 0.042 0.000 1.126 1235 N CA 0.463 53.538 53.050 0.042 0.000 0.845 1235 N CB 0.916 39.425 38.487 0.037 0.000 0.976 1235 N HN 0.356 nan 8.380 nan 0.000 0.475 1236 G N -0.235 108.594 108.800 0.048 0.000 2.267 1236 G HA2 -0.361 3.600 3.960 0.001 0.000 0.257 1236 G HA3 -0.361 3.600 3.960 0.001 0.000 0.257 1236 G C 0.291 175.219 174.900 0.047 0.000 0.998 1236 G CA 0.433 45.555 45.100 0.035 0.000 0.620 1236 G HN 0.851 nan 8.290 nan 0.000 0.529 1237 S N 0.431 116.176 115.700 0.074 0.000 2.568 1237 S HA 0.570 5.041 4.470 0.001 0.000 0.282 1237 S C 0.330 175.016 174.600 0.144 0.000 1.338 1237 S CA 0.463 58.721 58.200 0.096 0.000 1.045 1237 S CB 1.569 64.831 63.200 0.103 0.000 0.873 1237 S HN 0.664 nan 8.310 nan 0.000 0.516 1238 K N 0.780 121.250 120.400 0.118 0.000 2.210 1238 K HA 0.798 5.119 4.320 0.001 0.000 0.236 1238 K C -0.837 175.905 176.600 0.237 0.000 1.016 1238 K CA -0.758 55.568 56.287 0.064 0.000 0.913 1238 K CB 0.933 33.414 32.500 -0.032 0.000 1.141 1238 K HN 0.771 nan 8.250 nan 0.000 0.462 1239 F N -2.308 117.633 119.950 -0.015 0.000 2.740 1239 F HA 0.337 4.865 4.527 0.001 0.000 0.312 1239 F C -1.728 174.041 175.800 -0.051 0.000 1.121 1239 F CA -1.318 56.676 58.000 -0.010 0.000 0.977 1239 F CB 0.422 39.425 39.000 0.005 0.000 1.265 1239 F HN 0.348 nan 8.300 nan 0.000 0.443 1240 N N 0.570 119.303 118.700 0.056 0.000 2.492 1240 N HA 0.706 5.447 4.740 0.001 0.000 0.289 1240 N C -1.527 173.886 175.510 -0.162 0.000 1.133 1240 N CA -0.877 52.035 53.050 -0.230 0.000 0.961 1240 N CB 2.202 40.375 38.487 -0.523 0.000 1.186 1240 N HN 0.555 nan 8.380 nan 0.000 0.493 1241 V N 2.393 122.173 119.914 -0.223 0.000 2.376 1241 V HA 0.201 4.322 4.120 0.001 0.000 0.287 1241 V C -0.737 175.323 176.094 -0.056 0.000 1.015 1241 V CA -0.453 61.848 62.300 0.001 0.000 0.834 1241 V CB 0.396 32.326 31.823 0.178 0.000 1.001 1241 V HN 0.743 nan 8.190 nan 0.000 0.428 1242 Y N 1.368 121.688 120.300 0.033 0.000 2.457 1242 Y HA 0.379 4.929 4.550 0.001 0.000 0.263 1242 Y C 0.897 176.521 175.900 -0.460 0.000 1.164 1242 Y CA -0.339 57.729 58.100 -0.053 0.000 1.274 1242 Y CB 0.604 39.057 38.460 -0.011 0.000 1.097 1242 Y HN 0.552 nan 8.280 nan 0.000 0.523 1243 D N -0.695 119.421 120.400 -0.474 0.000 2.859 1243 D HA 0.086 4.727 4.640 0.001 0.000 0.223 1243 D C 0.383 176.323 176.300 -0.600 0.000 1.218 1243 D CA -0.200 53.422 54.000 -0.630 0.000 0.850 1243 D CB 3.134 43.801 40.800 -0.221 0.000 1.656 1243 D HN -0.045 nan 8.370 nan 0.000 0.484 1244 V N 3.451 123.031 119.914 -0.557 0.000 2.594 1244 V HA -0.168 3.953 4.120 0.001 0.000 0.253 1244 V C 2.102 178.192 176.094 -0.006 0.000 1.069 1244 V CA 2.628 64.851 62.300 -0.129 0.000 1.082 1244 V CB -0.187 31.660 31.823 0.040 0.000 0.680 1244 V HN 0.676 nan 8.190 nan 0.000 0.469 1245 S N 0.260 115.943 115.700 -0.027 0.000 2.369 1245 S HA -0.256 4.215 4.470 0.001 0.000 0.225 1245 S C 1.758 176.374 174.600 0.027 0.000 1.043 1245 S CA 2.531 60.736 58.200 0.008 0.000 1.074 1245 S CB -0.484 62.710 63.200 -0.009 0.000 0.962 1245 S HN 0.623 nan 8.310 nan 0.000 0.433 1246 I N 1.695 122.279 120.570 0.024 0.000 2.315 1246 I HA -0.162 4.009 4.170 0.001 0.000 0.251 1246 I C 2.029 178.195 176.117 0.082 0.000 1.125 1246 I CA 1.211 62.542 61.300 0.051 0.000 1.392 1246 I CB -0.551 37.486 38.000 0.062 0.000 1.065 1246 I HN 0.317 nan 8.210 nan 0.000 0.424 1247 L N -0.515 120.765 121.223 0.095 0.000 2.341 1247 L HA 0.005 4.345 4.340 0.001 0.000 0.214 1247 L C 2.413 179.346 176.870 0.105 0.000 1.115 1247 L CA 0.488 55.400 54.840 0.120 0.000 0.820 1247 L CB -0.476 41.674 42.059 0.151 0.000 0.944 1247 L HN 0.180 nan 8.230 nan 0.000 0.452 1248 I N 1.248 121.870 120.570 0.086 0.000 2.229 1248 I HA -0.240 3.930 4.170 0.001 0.000 0.250 1248 I C -0.368 175.799 176.117 0.082 0.000 1.096 1248 I CA 1.585 62.931 61.300 0.077 0.000 1.358 1248 I CB -1.370 36.668 38.000 0.064 0.000 1.047 1248 I HN 0.308 nan 8.210 nan 0.000 0.422 1249 P HA 0.106 nan 4.420 nan 0.000 0.261 1249 P C 1.245 178.642 177.300 0.161 0.000 1.268 1249 P CA 0.555 63.720 63.100 0.109 0.000 0.833 1249 P CB 0.474 32.233 31.700 0.099 0.000 1.231 1250 I N -0.212 120.462 120.570 0.174 0.000 3.039 1250 I HA 0.210 4.380 4.170 0.001 0.000 0.270 1250 I C 1.307 177.594 176.117 0.283 0.000 1.150 1250 I CA -0.170 61.283 61.300 0.255 0.000 1.448 1250 I CB 0.129 38.246 38.000 0.195 0.000 1.197 1250 I HN -0.103 nan 8.210 nan 0.000 0.450 1251 I N -0.115 120.541 120.570 0.142 0.000 2.412 1251 I HA 0.469 4.639 4.170 0.001 0.000 0.296 1251 I C 0.734 176.849 176.117 -0.004 0.000 0.987 1251 I CA -0.253 61.031 61.300 -0.027 0.000 1.180 1251 I CB 1.755 39.672 38.000 -0.138 0.000 1.340 1251 I HN 0.048 nan 8.210 nan 0.000 0.455 1252 A N 7.610 130.414 122.820 -0.026 0.000 2.192 1252 A HA 0.496 4.817 4.320 0.001 0.000 0.208 1252 A C 0.141 177.741 177.584 0.027 0.000 1.220 1252 A CA 0.197 52.243 52.037 0.015 0.000 0.900 1252 A CB 0.274 19.289 19.000 0.025 0.000 0.937 1252 A HN 0.555 nan 8.150 nan 0.000 0.487 1253 L N -0.382 120.880 121.223 0.065 0.000 2.434 1253 L HA 0.620 4.960 4.340 0.001 0.000 0.260 1253 L C -0.919 176.124 176.870 0.288 0.000 0.983 1253 L CA -0.341 54.597 54.840 0.164 0.000 0.820 1253 L CB 2.257 44.429 42.059 0.189 0.000 1.361 1253 L HN 0.183 nan 8.230 nan 0.000 0.410 1254 M N 1.974 121.641 119.600 0.112 0.000 2.591 1254 M HA 0.462 4.942 4.480 0.001 0.000 0.306 1254 M C -0.964 175.246 176.300 -0.150 0.000 1.190 1254 M CA -0.899 54.264 55.300 -0.227 0.000 0.889 1254 M CB 3.073 35.496 32.600 -0.294 0.000 1.728 1254 M HN 0.305 nan 8.290 nan 0.000 0.458 1255 V N 2.706 122.318 119.914 -0.504 0.000 2.461 1255 V HA 0.232 4.352 4.120 0.001 0.000 0.275 1255 V C -0.998 175.043 176.094 -0.089 0.000 1.047 1255 V CA -0.256 61.948 62.300 -0.159 0.000 0.955 1255 V CB 0.739 32.444 31.823 -0.197 0.000 0.988 1255 V HN 0.743 nan 8.190 nan 0.000 0.471 1256 Y N 7.965 128.206 120.300 -0.098 0.000 2.802 1256 Y HA 0.080 4.630 4.550 0.001 0.000 0.333 1256 Y C 1.286 177.121 175.900 -0.109 0.000 1.244 1256 Y CA 0.127 58.172 58.100 -0.092 0.000 1.558 1256 Y CB 0.378 38.803 38.460 -0.058 0.000 1.233 1256 Y HN 0.704 nan 8.280 nan 0.000 0.547 1257 R N 4.238 124.761 120.500 0.038 0.000 2.342 1257 R HA 0.205 4.546 4.340 0.001 0.000 0.204 1257 R C -0.296 176.044 176.300 0.068 0.000 0.882 1257 R CA 0.806 56.925 56.100 0.032 0.000 1.041 1257 R CB -0.203 30.027 30.300 -0.117 0.000 1.188 1257 R HN 0.685 nan 8.270 nan 0.000 0.598 1258 C N -1.846 117.386 119.300 -0.114 0.000 3.312 1258 C HA 0.867 5.328 4.460 0.001 0.000 0.332 1258 C C -0.329 174.491 174.990 -0.284 0.000 1.340 1258 C CA -1.778 57.216 59.018 -0.040 0.000 1.265 1258 C CB 1.243 28.943 27.740 -0.066 0.000 1.563 1258 C HN 0.313 nan 8.230 nan 0.000 0.471 1259 A N 1.542 124.347 122.820 -0.024 0.000 2.293 1259 A HA 0.910 5.231 4.320 0.001 0.000 0.302 1259 A C -2.297 175.244 177.584 -0.072 0.000 1.119 1259 A CA -0.916 51.104 52.037 -0.029 0.000 0.823 1259 A CB -0.007 19.067 19.000 0.124 0.000 1.097 1259 A HN 0.875 nan 8.150 nan 0.000 0.491 1260 P HA 0.337 nan 4.420 nan 0.000 0.286 1260 P C -2.723 174.566 177.300 -0.019 0.000 1.269 1260 P CA -1.179 61.892 63.100 -0.050 0.000 0.787 1260 P CB 0.579 32.249 31.700 -0.051 0.000 0.920 1261 P HA 0.220 nan 4.420 nan 0.000 0.271 1261 P C -2.186 175.111 177.300 -0.004 0.000 1.233 1261 P CA -0.788 62.308 63.100 -0.005 0.000 0.764 1261 P CB -0.511 31.186 31.700 -0.004 0.000 0.825 1262 P HA 0.000 nan 4.420 nan 0.000 0.216 1262 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 1262 P CB 0.000 31.700 31.700 -0.000 0.000 0.726