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 3ddo_1_A DATA FIRST_RESID 1004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRRFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQXXXXXXXX XKQTXSHAVK IVVEAARRLL 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 1004 S HA 0.000 nan 4.470 nan 0.000 0.327 1004 S C 0.000 174.602 174.600 0.003 0.000 1.055 1004 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 1004 S CB 0.000 63.184 63.200 -0.026 0.000 0.593 1005 D N 1.844 122.250 120.400 0.010 0.000 2.178 1005 D HA 0.070 4.710 4.640 -0.001 0.000 0.217 1005 D C 1.301 177.621 176.300 0.033 0.000 0.992 1005 D CA 1.838 55.850 54.000 0.020 0.000 0.895 1005 D CB -0.701 40.111 40.800 0.020 0.000 1.031 1005 D HN 0.725 nan 8.370 nan 0.000 0.453 1006 V N -0.387 119.546 119.914 0.033 0.000 2.924 1006 V HA 0.064 4.184 4.120 -0.001 0.000 0.305 1006 V C 1.237 177.365 176.094 0.057 0.000 1.073 1006 V CA -0.574 61.761 62.300 0.058 0.000 1.098 1006 V CB 0.644 32.496 31.823 0.048 0.000 1.000 1006 V HN 0.023 nan 8.190 nan 0.000 0.484 1007 F N 2.326 122.219 119.950 -0.095 0.000 2.186 1007 F HA 0.047 4.574 4.527 0.000 0.000 0.299 1007 F C 1.885 177.476 175.800 -0.349 0.000 1.090 1007 F CA 2.244 60.110 58.000 -0.224 0.000 1.307 1007 F CB -0.202 38.632 39.000 -0.277 0.000 1.019 1007 F HN 0.828 nan 8.300 nan 0.000 0.489 1008 H N -1.387 117.585 119.070 -0.164 0.000 2.460 1008 H HA 0.222 4.777 4.556 -0.001 0.000 0.297 1008 H C 2.105 177.326 175.328 -0.179 0.000 1.023 1008 H CA 1.032 56.932 56.048 -0.247 0.000 1.321 1008 H CB -0.157 29.475 29.762 -0.216 0.000 1.455 1008 H HN 0.124 nan 8.280 nan 0.000 0.539 1009 L N -0.456 120.735 121.223 -0.053 0.000 2.240 1009 L HA 0.115 4.455 4.340 -0.001 0.000 0.211 1009 L C 1.238 178.194 176.870 0.143 0.000 1.106 1009 L CA 0.794 55.648 54.840 0.024 0.000 0.793 1009 L CB -0.262 41.783 42.059 -0.025 0.000 0.927 1009 L HN 0.567 nan 8.230 nan 0.000 0.446 1010 G N 1.013 109.816 108.800 0.004 0.000 2.198 1010 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.257 1010 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.257 1010 G C -0.128 174.816 174.900 0.073 0.000 1.042 1010 G CA -0.011 45.098 45.100 0.015 0.000 0.791 1010 G HN 0.229 nan 8.290 nan 0.000 0.502 1011 L N 0.211 121.459 121.223 0.041 0.000 2.341 1011 L HA 0.828 5.167 4.340 -0.001 0.000 0.267 1011 L C 0.839 177.722 176.870 0.020 0.000 1.009 1011 L CA -0.529 54.332 54.840 0.034 0.000 0.819 1011 L CB 2.294 44.376 42.059 0.038 0.000 1.323 1011 L HN 0.355 nan 8.230 nan 0.000 0.425 1012 T N -2.935 111.628 114.554 0.015 0.000 2.950 1012 T HA 0.297 4.647 4.350 -0.001 0.000 0.288 1012 T C 0.670 175.377 174.700 0.010 0.000 1.035 1012 T CA -0.803 61.303 62.100 0.011 0.000 1.028 1012 T CB 2.107 70.979 68.868 0.006 0.000 1.109 1012 T HN 0.624 nan 8.240 nan 0.000 0.514 1013 K N 0.558 120.964 120.400 0.010 0.000 2.063 1013 K HA -0.205 4.114 4.320 -0.001 0.000 0.208 1013 K C 2.092 178.694 176.600 0.003 0.000 1.048 1013 K CA 1.836 58.127 56.287 0.008 0.000 0.928 1013 K CB -0.354 32.151 32.500 0.008 0.000 0.713 1013 K HN 0.666 nan 8.250 nan 0.000 0.442 1014 N N 0.995 119.696 118.700 0.001 0.000 2.223 1014 N HA -0.164 4.576 4.740 -0.001 0.000 0.185 1014 N C 1.064 176.571 175.510 -0.006 0.000 1.016 1014 N CA 1.676 54.724 53.050 -0.003 0.000 0.863 1014 N CB -0.092 38.392 38.487 -0.004 0.000 0.983 1014 N HN 0.201 nan 8.380 nan 0.000 0.429 1015 D N -0.319 120.078 120.400 -0.005 0.000 2.182 1015 D HA -0.126 4.513 4.640 -0.001 0.000 0.201 1015 D C 1.478 177.774 176.300 -0.007 0.000 0.986 1015 D CA 0.696 54.690 54.000 -0.010 0.000 0.847 1015 D CB -0.100 40.695 40.800 -0.008 0.000 0.942 1015 D HN 0.287 nan 8.370 nan 0.000 0.467 1016 L N 0.595 121.817 121.223 -0.002 0.000 2.395 1016 L HA 0.000 4.340 4.340 -0.001 0.000 0.218 1016 L C 0.747 177.614 176.870 -0.004 0.000 1.130 1016 L CA 0.533 55.372 54.840 -0.001 0.000 0.826 1016 L CB -0.315 41.743 42.059 -0.002 0.000 0.941 1016 L HN -0.013 nan 8.230 nan 0.000 0.451 1017 Q N -0.163 119.634 119.800 -0.005 0.000 2.435 1017 Q HA -0.289 4.051 4.340 -0.001 0.000 0.286 1017 Q C 1.176 177.172 176.000 -0.006 0.000 1.229 1017 Q CA 0.850 56.650 55.803 -0.005 0.000 0.884 1017 Q CB -2.447 26.288 28.738 -0.005 0.000 1.245 1017 Q HN 0.656 nan 8.270 nan 0.000 0.488 1018 G N -1.778 107.017 108.800 -0.008 0.000 2.157 1018 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.248 1018 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.248 1018 G C 0.348 175.237 174.900 -0.017 0.000 0.979 1018 G CA 0.339 45.433 45.100 -0.010 0.000 0.650 1018 G HN 1.229 nan 8.290 nan 0.000 0.529 1019 A N -0.372 122.437 122.820 -0.020 0.000 2.531 1019 A HA 0.552 4.871 4.320 -0.001 0.000 0.236 1019 A C 1.048 178.600 177.584 -0.053 0.000 1.062 1019 A CA 1.460 53.477 52.037 -0.033 0.000 0.760 1019 A CB 0.205 19.188 19.000 -0.030 0.000 0.995 1019 A HN 0.605 nan 8.150 nan 0.000 0.501 1020 Q N 0.591 120.348 119.800 -0.071 0.000 2.140 1020 Q HA 0.337 4.676 4.340 -0.001 0.000 0.227 1020 Q C -0.539 175.361 176.000 -0.166 0.000 0.798 1020 Q CA -0.019 55.725 55.803 -0.099 0.000 0.987 1020 Q CB 0.773 29.472 28.738 -0.065 0.000 1.161 1020 Q HN 0.720 nan 8.270 nan 0.000 0.480 1021 L N 0.560 121.687 121.223 -0.160 0.000 2.386 1021 L HA 0.838 5.178 4.340 -0.001 0.000 0.271 1021 L C -1.769 174.981 176.870 -0.201 0.000 0.993 1021 L CA -0.687 54.030 54.840 -0.206 0.000 0.819 1021 L CB 1.730 43.716 42.059 -0.121 0.000 1.294 1021 L HN -0.079 nan 8.230 nan 0.000 0.414 1022 A N 5.655 128.305 122.820 -0.283 0.000 2.371 1022 A HA 0.714 5.034 4.320 -0.001 0.000 0.311 1022 A C -0.995 176.561 177.584 -0.047 0.000 1.068 1022 A CA -0.540 51.408 52.037 -0.148 0.000 0.744 1022 A CB 1.087 19.993 19.000 -0.157 0.000 1.239 1022 A HN 0.676 nan 8.150 nan 0.000 0.435 1023 I N 2.555 123.130 120.570 0.008 0.000 2.331 1023 I HA 0.379 4.549 4.170 -0.001 0.000 0.292 1023 I C -0.202 175.959 176.117 0.074 0.000 0.998 1023 I CA -0.596 60.726 61.300 0.036 0.000 1.267 1023 I CB 1.768 39.778 38.000 0.016 0.000 1.386 1023 I HN 0.467 nan 8.210 nan 0.000 0.476 1024 V N 5.705 125.677 119.914 0.097 0.000 2.289 1024 V HA 0.520 4.640 4.120 -0.001 0.000 0.272 1024 V C -2.587 173.552 176.094 0.076 0.000 1.026 1024 V CA -1.930 60.438 62.300 0.114 0.000 0.807 1024 V CB 0.498 32.424 31.823 0.172 0.000 1.044 1024 V HN 0.450 nan 8.190 nan 0.000 0.443 1025 P HA 0.320 nan 4.420 nan 0.000 0.276 1025 P C 0.989 178.310 177.300 0.034 0.000 1.252 1025 P CA 0.273 63.392 63.100 0.032 0.000 0.802 1025 P CB 1.811 33.518 31.700 0.012 0.000 1.035 1026 G N -0.094 108.716 108.800 0.016 0.000 2.396 1026 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.214 1026 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.214 1026 G C 0.304 175.197 174.900 -0.013 0.000 1.166 1026 G CA 0.448 45.551 45.100 0.005 0.000 0.793 1026 G HN 0.507 nan 8.290 nan 0.000 0.533 1027 D N 0.465 120.855 120.400 -0.018 0.000 2.295 1027 D HA 0.261 4.901 4.640 -0.001 0.000 0.248 1027 D C -1.265 175.021 176.300 -0.022 0.000 1.154 1027 D CA -2.409 51.573 54.000 -0.031 0.000 0.857 1027 D CB 2.018 42.797 40.800 -0.035 0.000 1.117 1027 D HN -0.044 nan 8.370 nan 0.000 0.468 1028 P HA -0.138 nan 4.420 nan 0.000 0.217 1028 P C 0.705 178.000 177.300 -0.008 0.000 1.148 1028 P CA 1.057 64.156 63.100 -0.001 0.000 0.828 1028 P CB 0.327 32.019 31.700 -0.012 0.000 0.783 1029 E N -0.963 119.221 120.200 -0.026 0.000 2.418 1029 E HA -0.105 4.245 4.350 -0.001 0.000 0.197 1029 E C 2.053 178.614 176.600 -0.065 0.000 1.026 1029 E CA 0.230 56.607 56.400 -0.037 0.000 0.862 1029 E CB -0.236 29.443 29.700 -0.035 0.000 0.799 1029 E HN 0.166 nan 8.360 nan 0.000 0.518 1030 R N 0.211 120.674 120.500 -0.062 0.000 2.300 1030 R HA 0.015 4.354 4.340 -0.001 0.000 0.199 1030 R C 1.750 177.978 176.300 -0.121 0.000 0.920 1030 R CA 0.085 56.136 56.100 -0.081 0.000 1.046 1030 R CB 0.352 30.620 30.300 -0.053 0.000 0.984 1030 R HN -0.014 nan 8.270 nan 0.000 0.493 1031 V N 1.108 120.949 119.914 -0.121 0.000 2.261 1031 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 1031 V C 2.380 178.215 176.094 -0.433 0.000 1.047 1031 V CA 2.022 64.224 62.300 -0.164 0.000 1.015 1031 V CB -0.428 31.376 31.823 -0.032 0.000 0.642 1031 V HN 0.408 nan 8.190 nan 0.000 0.446 1032 E N 0.635 120.439 120.200 -0.660 0.000 2.153 1032 E HA -0.246 4.104 4.350 -0.001 0.000 0.194 1032 E C 2.184 178.402 176.600 -0.638 0.000 0.988 1032 E CA 1.439 57.160 56.400 -1.132 0.000 0.811 1032 E CB -0.043 29.087 29.700 -0.950 0.000 0.746 1032 E HN 0.613 nan 8.360 nan 0.000 0.466 1033 K N -0.037 120.145 120.400 -0.364 0.000 2.097 1033 K HA -0.038 4.281 4.320 -0.001 0.000 0.205 1033 K C 2.319 178.804 176.600 -0.192 0.000 1.050 1033 K CA 1.221 57.370 56.287 -0.230 0.000 0.938 1033 K CB -0.024 32.385 32.500 -0.150 0.000 0.718 1033 K HN 0.161 nan 8.250 nan 0.000 0.442 1034 I N 0.815 121.274 120.570 -0.185 0.000 2.233 1034 I HA -0.206 3.963 4.170 -0.001 0.000 0.243 1034 I C 2.454 178.492 176.117 -0.131 0.000 1.093 1034 I CA 0.883 62.107 61.300 -0.126 0.000 1.380 1034 I CB -0.333 37.613 38.000 -0.089 0.000 1.067 1034 I HN 0.116 nan 8.210 nan 0.000 0.413 1035 A N 0.876 123.578 122.820 -0.197 0.000 1.940 1035 A HA -0.174 4.146 4.320 -0.001 0.000 0.219 1035 A C 2.449 179.963 177.584 -0.116 0.000 1.176 1035 A CA 1.826 53.783 52.037 -0.134 0.000 0.631 1035 A CB -0.786 18.114 19.000 -0.166 0.000 0.814 1035 A HN 0.437 nan 8.150 nan 0.000 0.446 1036 A N -0.717 121.985 122.820 -0.196 0.000 2.172 1036 A HA 0.148 4.467 4.320 -0.001 0.000 0.216 1036 A C 1.858 179.400 177.584 -0.070 0.000 1.154 1036 A CA 1.017 52.978 52.037 -0.126 0.000 0.701 1036 A CB -0.481 18.423 19.000 -0.160 0.000 0.789 1036 A HN 0.484 nan 8.150 nan 0.000 0.465 1037 L N -1.336 119.845 121.223 -0.071 0.000 2.554 1037 L HA 0.153 4.493 4.340 -0.001 0.000 0.226 1037 L C 0.987 177.838 176.870 -0.031 0.000 1.137 1037 L CA 0.080 54.890 54.840 -0.050 0.000 0.863 1037 L CB -0.226 41.800 42.059 -0.055 0.000 0.985 1037 L HN 0.410 nan 8.230 nan 0.000 0.451 1038 M N -1.585 118.002 119.600 -0.020 0.000 2.852 1038 M HA 0.305 4.785 4.480 -0.001 0.000 0.301 1038 M C -0.680 175.627 176.300 0.012 0.000 1.229 1038 M CA -0.918 54.380 55.300 -0.004 0.000 0.832 1038 M CB 1.370 33.971 32.600 0.003 0.000 1.726 1038 M HN -0.199 nan 8.290 nan 0.000 0.497 1039 D N 1.290 121.700 120.400 0.016 0.000 2.339 1039 D HA 0.125 4.765 4.640 -0.001 0.000 0.245 1039 D C -0.351 175.974 176.300 0.041 0.000 1.115 1039 D CA 0.199 54.213 54.000 0.023 0.000 0.917 1039 D CB 0.565 41.373 40.800 0.015 0.000 1.192 1039 D HN 0.417 nan 8.370 nan 0.000 0.428 1040 K N -0.154 120.273 120.400 0.045 0.000 3.490 1040 K HA -0.152 4.167 4.320 -0.001 0.000 0.273 1040 K C -2.335 174.323 176.600 0.097 0.000 0.916 1040 K CA 0.036 56.357 56.287 0.057 0.000 0.718 1040 K CB -1.263 31.259 32.500 0.037 0.000 1.477 1040 K HN 0.331 nan 8.250 nan 0.000 0.452 1041 P HA 0.167 nan 4.420 nan 0.000 0.276 1041 P C -0.376 177.124 177.300 0.333 0.000 1.235 1041 P CA -0.174 63.102 63.100 0.293 0.000 0.772 1041 P CB 1.236 33.118 31.700 0.303 0.000 0.871 1042 V N 3.757 123.806 119.914 0.225 0.000 2.686 1042 V HA 0.296 4.415 4.120 -0.001 0.000 0.306 1042 V C 0.335 176.014 176.094 -0.693 0.000 1.065 1042 V CA -0.953 61.239 62.300 -0.179 0.000 0.894 1042 V CB 2.101 33.853 31.823 -0.119 0.000 1.004 1042 V HN 0.465 nan 8.190 nan 0.000 0.424 1043 K N 3.269 122.788 120.400 -1.467 0.000 2.350 1043 K HA 0.387 4.706 4.320 -0.001 0.000 0.279 1043 K C 0.200 176.368 176.600 -0.721 0.000 1.027 1043 K CA -0.147 55.094 56.287 -1.742 0.000 0.969 1043 K CB 0.736 32.352 32.500 -1.473 0.000 0.954 1043 K HN 0.646 nan 8.250 nan 0.000 0.474 1044 L N 2.476 123.399 121.223 -0.499 0.000 2.347 1044 L HA 0.348 4.687 4.340 -0.001 0.000 0.196 1044 L C 0.467 177.239 176.870 -0.163 0.000 1.072 1044 L CA 0.130 54.834 54.840 -0.227 0.000 0.817 1044 L CB 0.247 42.244 42.059 -0.102 0.000 1.029 1044 L HN 0.752 nan 8.230 nan 0.000 0.478 1045 A N -1.037 121.703 122.820 -0.135 0.000 2.608 1045 A HA 0.620 4.940 4.320 -0.001 0.000 0.292 1045 A C -1.244 176.269 177.584 -0.118 0.000 1.066 1045 A CA -0.283 51.686 52.037 -0.113 0.000 0.676 1045 A CB 1.733 20.744 19.000 0.019 0.000 1.277 1045 A HN -0.116 nan 8.150 nan 0.000 0.413 1046 S N 0.661 116.176 115.700 -0.308 0.000 2.750 1046 S HA 0.669 5.139 4.470 -0.001 0.000 0.276 1046 S C -1.699 172.614 174.600 -0.479 0.000 1.165 1046 S CA -0.481 57.587 58.200 -0.219 0.000 1.047 1046 S CB 0.375 63.508 63.200 -0.111 0.000 1.056 1046 S HN 0.721 nan 8.310 nan 0.000 0.481 1047 H N 3.436 122.573 119.070 0.112 0.000 2.856 1047 H HA 0.528 5.084 4.556 -0.000 0.000 0.355 1047 H C 0.567 175.972 175.328 0.129 0.000 1.079 1047 H CA -0.502 55.609 56.048 0.106 0.000 1.240 1047 H CB 1.550 31.376 29.762 0.108 0.000 1.701 1047 H HN 0.770 nan 8.280 nan 0.000 0.527 1048 R N 0.515 121.108 120.500 0.154 0.000 3.750 1048 R HA -0.230 4.110 4.340 -0.001 0.000 0.495 1048 R C 1.037 177.250 176.300 -0.145 0.000 0.241 1048 R CA 1.909 58.012 56.100 0.005 0.000 1.551 1048 R CB -0.746 29.570 30.300 0.026 0.000 0.956 1048 R HN 0.772 nan 8.270 nan 0.000 0.584 1049 E N 1.901 121.829 120.200 -0.453 0.000 2.445 1049 E HA 0.013 4.363 4.350 -0.001 0.000 0.189 1049 E C -0.326 175.997 176.600 -0.462 0.000 1.069 1049 E CA 0.590 56.703 56.400 -0.478 0.000 0.871 1049 E CB 0.112 29.504 29.700 -0.513 0.000 0.991 1049 E HN 0.302 nan 8.360 nan 0.000 0.481 1050 F N 1.486 121.473 119.950 0.062 0.000 2.293 1050 F HA 0.324 4.851 4.527 -0.000 0.000 0.370 1050 F C 0.133 175.979 175.800 0.077 0.000 1.090 1050 F CA -0.660 57.386 58.000 0.077 0.000 1.133 1050 F CB 1.546 40.607 39.000 0.103 0.000 1.360 1050 F HN -0.324 nan 8.300 nan 0.000 0.489 1051 T N 2.120 116.803 114.554 0.216 0.000 2.771 1051 T HA 0.563 4.912 4.350 -0.001 0.000 0.281 1051 T C -0.282 174.567 174.700 0.248 0.000 0.982 1051 T CA -0.733 61.483 62.100 0.194 0.000 0.978 1051 T CB 1.093 70.063 68.868 0.170 0.000 0.930 1051 T HN 0.510 nan 8.240 nan 0.000 0.447 1052 S N 2.225 118.068 115.700 0.239 0.000 2.521 1052 S HA 0.792 5.261 4.470 -0.001 0.000 0.295 1052 S C -1.597 173.158 174.600 0.259 0.000 1.098 1052 S CA -0.997 57.346 58.200 0.237 0.000 0.999 1052 S CB 1.292 64.579 63.200 0.146 0.000 1.034 1052 S HN 0.666 nan 8.310 nan 0.000 0.483 1053 W N 1.015 122.329 121.300 0.023 0.000 2.962 1053 W HA 0.670 5.329 4.660 -0.001 0.000 0.341 1053 W C 0.090 176.613 176.519 0.007 0.000 1.155 1053 W CA -0.775 56.576 57.345 0.011 0.000 1.165 1053 W CB 1.943 31.407 29.460 0.006 0.000 1.435 1053 W HN 0.775 nan 8.180 nan 0.000 0.546 1054 R N 1.492 122.112 120.500 0.201 0.000 2.778 1054 R HA 0.916 5.256 4.340 -0.001 0.000 0.277 1054 R C -0.792 175.602 176.300 0.156 0.000 0.977 1054 R CA -0.422 55.754 56.100 0.126 0.000 0.950 1054 R CB 1.688 32.015 30.300 0.045 0.000 1.165 1054 R HN 0.634 nan 8.270 nan 0.000 0.474 1055 A N 2.222 125.104 122.820 0.104 0.000 2.529 1055 A HA 0.519 4.838 4.320 -0.001 0.000 0.296 1055 A C -1.596 176.016 177.584 0.047 0.000 1.205 1055 A CA -0.743 51.348 52.037 0.089 0.000 0.671 1055 A CB 1.742 20.795 19.000 0.089 0.000 1.301 1055 A HN 0.714 nan 8.150 nan 0.000 0.450 1056 E N -0.669 119.552 120.200 0.035 0.000 2.266 1056 E HA 0.574 4.924 4.350 -0.001 0.000 0.268 1056 E C -2.053 174.553 176.600 0.010 0.000 0.879 1056 E CA -0.727 55.684 56.400 0.018 0.000 0.762 1056 E CB 2.449 32.158 29.700 0.015 0.000 1.199 1056 E HN 0.356 nan 8.360 nan 0.000 0.422 1057 L N 3.344 124.568 121.223 0.002 0.000 2.406 1057 L HA 0.280 4.620 4.340 -0.001 0.000 0.270 1057 L C -1.132 175.735 176.870 -0.006 0.000 0.982 1057 L CA -0.122 54.716 54.840 -0.004 0.000 0.843 1057 L CB 1.147 43.201 42.059 -0.008 0.000 1.225 1057 L HN 0.504 nan 8.230 nan 0.000 0.412 1058 D N 4.388 124.785 120.400 -0.005 0.000 2.708 1058 D HA -0.201 4.439 4.640 -0.001 0.000 0.236 1058 D C 1.163 177.460 176.300 -0.004 0.000 1.146 1058 D CA 1.571 55.568 54.000 -0.006 0.000 0.662 1058 D CB -0.964 39.831 40.800 -0.008 0.000 1.059 1058 D HN 1.180 nan 8.370 nan 0.000 0.428 1059 G N -0.846 107.952 108.800 -0.002 0.000 2.179 1059 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.260 1059 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.260 1059 G C 0.277 175.176 174.900 -0.002 0.000 0.977 1059 G CA 0.721 45.820 45.100 -0.001 0.000 0.641 1059 G HN 0.474 nan 8.290 nan 0.000 0.533 1060 K N 0.555 120.953 120.400 -0.004 0.000 2.221 1060 K HA 0.695 5.015 4.320 -0.001 0.000 0.258 1060 K C 0.451 177.049 176.600 -0.005 0.000 0.944 1060 K CA -0.123 56.161 56.287 -0.006 0.000 0.823 1060 K CB 1.962 34.456 32.500 -0.011 0.000 1.113 1060 K HN 0.469 nan 8.250 nan 0.000 0.431 1061 A N 2.406 125.223 122.820 -0.005 0.000 2.477 1061 A HA 0.327 4.647 4.320 -0.001 0.000 0.246 1061 A C -0.168 177.411 177.584 -0.008 0.000 1.078 1061 A CA -0.105 51.931 52.037 -0.001 0.000 0.770 1061 A CB 0.228 19.227 19.000 -0.002 0.000 1.011 1061 A HN 0.418 nan 8.150 nan 0.000 0.494 1062 V N 3.559 123.474 119.914 0.002 0.000 2.962 1062 V HA 0.438 4.557 4.120 -0.001 0.000 0.313 1062 V C -0.487 175.616 176.094 0.015 0.000 1.099 1062 V CA -0.735 61.561 62.300 -0.006 0.000 0.971 1062 V CB 1.973 33.793 31.823 -0.006 0.000 1.028 1062 V HN 0.751 nan 8.190 nan 0.000 0.430 1063 I N 2.789 123.362 120.570 0.004 0.000 2.460 1063 I HA 0.543 4.713 4.170 -0.001 0.000 0.298 1063 I C -0.366 175.783 176.117 0.054 0.000 0.989 1063 I CA -0.615 60.709 61.300 0.039 0.000 1.173 1063 I CB 1.942 39.955 38.000 0.021 0.000 1.338 1063 I HN 0.265 nan 8.210 nan 0.000 0.456 1064 V N 5.026 125.003 119.914 0.104 0.000 2.409 1064 V HA 0.456 4.575 4.120 -0.001 0.000 0.291 1064 V C -0.460 175.719 176.094 0.142 0.000 1.020 1064 V CA -0.486 61.873 62.300 0.098 0.000 0.848 1064 V CB 2.046 33.910 31.823 0.068 0.000 0.990 1064 V HN 0.901 nan 8.190 nan 0.000 0.430 1065 C N 4.985 124.366 119.300 0.135 0.000 2.551 1065 C HA 0.699 5.158 4.460 -0.001 0.000 0.332 1065 C C 0.483 175.575 174.990 0.169 0.000 1.139 1065 C CA -0.397 58.723 59.018 0.171 0.000 1.328 1065 C CB 1.130 28.974 27.740 0.173 0.000 1.903 1065 C HN 1.047 nan 8.230 nan 0.000 0.459 1066 S N 3.303 119.109 115.700 0.176 0.000 2.592 1066 S HA 0.395 4.865 4.470 -0.001 0.000 0.271 1066 S C 0.915 175.648 174.600 0.222 0.000 1.326 1066 S CA 0.398 58.683 58.200 0.142 0.000 1.024 1066 S CB 1.312 64.559 63.200 0.079 0.000 0.921 1066 S HN 1.051 nan 8.310 nan 0.000 0.527 1067 T N -1.641 113.003 114.554 0.150 0.000 2.990 1067 T HA 0.528 4.878 4.350 -0.001 0.000 0.250 1067 T C 1.180 175.918 174.700 0.063 0.000 1.041 1067 T CA 0.281 62.497 62.100 0.193 0.000 1.010 1067 T CB -0.867 68.070 68.868 0.115 0.000 1.003 1067 T HN 1.914 nan 8.240 nan 0.000 0.499 1068 G N 1.511 110.281 108.800 -0.050 0.000 2.828 1068 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.463 1068 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.463 1068 G C -0.622 174.246 174.900 -0.055 0.000 1.394 1068 G CA -0.504 44.525 45.100 -0.118 0.000 0.862 1068 G HN 0.629 nan 8.290 nan 0.000 0.540 1069 I N 2.108 122.639 120.570 -0.065 0.000 2.371 1069 I HA 0.540 4.710 4.170 -0.001 0.000 0.290 1069 I C 1.059 177.161 176.117 -0.025 0.000 1.028 1069 I CA 1.014 62.290 61.300 -0.040 0.000 1.345 1069 I CB 0.730 38.697 38.000 -0.054 0.000 1.407 1069 I HN 1.975 nan 8.210 nan 0.000 0.501 1070 G N 3.831 112.625 108.800 -0.009 0.000 2.650 1070 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.686 1070 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.686 1070 G C 0.515 175.416 174.900 0.001 0.000 1.205 1070 G CA -0.481 44.617 45.100 -0.004 0.000 0.781 1070 G HN 0.912 nan 8.290 nan 0.000 0.648 1071 G N 0.522 109.321 108.800 -0.002 0.000 2.440 1071 G HA2 0.032 3.991 3.960 -0.001 0.000 0.218 1071 G HA3 0.032 3.991 3.960 -0.001 0.000 0.218 1071 G C 0.130 175.033 174.900 0.006 0.000 1.154 1071 G CA 2.189 47.287 45.100 -0.003 0.000 0.767 1071 G HN 0.684 nan 8.290 nan 0.000 0.552 1072 P HA -0.095 nan 4.420 nan 0.000 0.214 1072 P C 2.321 179.648 177.300 0.044 0.000 1.163 1072 P CA 1.881 64.984 63.100 0.006 0.000 0.883 1072 P CB -0.145 31.553 31.700 -0.003 0.000 0.788 1073 S N -1.716 114.021 115.700 0.062 0.000 2.382 1073 S HA -0.140 4.330 4.470 -0.001 0.000 0.228 1073 S C 1.917 176.644 174.600 0.212 0.000 1.027 1073 S CA 1.983 60.280 58.200 0.162 0.000 0.991 1073 S CB -1.356 61.876 63.200 0.054 0.000 0.823 1073 S HN 0.135 nan 8.310 nan 0.000 0.469 1074 T N 1.714 116.329 114.554 0.101 0.000 2.720 1074 T HA -0.123 4.227 4.350 -0.001 0.000 0.268 1074 T C 2.192 176.889 174.700 -0.006 0.000 1.037 1074 T CA 1.761 63.894 62.100 0.056 0.000 1.144 1074 T CB -0.624 68.244 68.868 -0.000 0.000 0.864 1074 T HN 0.728 nan 8.240 nan 0.000 0.444 1075 S N 1.114 116.815 115.700 0.001 0.000 2.399 1075 S HA -0.026 4.444 4.470 -0.001 0.000 0.231 1075 S C 2.062 176.658 174.600 -0.006 0.000 1.022 1075 S CA 0.756 58.955 58.200 -0.001 0.000 0.983 1075 S CB -0.719 62.574 63.200 0.154 0.000 0.803 1075 S HN 0.507 nan 8.310 nan 0.000 0.480 1076 I N 1.973 122.528 120.570 -0.024 0.000 2.233 1076 I HA -0.071 4.099 4.170 -0.001 0.000 0.243 1076 I C 3.095 179.088 176.117 -0.207 0.000 1.093 1076 I CA 1.038 62.260 61.300 -0.130 0.000 1.380 1076 I CB -0.653 37.178 38.000 -0.283 0.000 1.067 1076 I HN 0.428 nan 8.210 nan 0.000 0.413 1077 A N 0.421 123.116 122.820 -0.209 0.000 1.877 1077 A HA -0.156 4.164 4.320 -0.001 0.000 0.216 1077 A C 2.409 179.955 177.584 -0.063 0.000 1.186 1077 A CA 1.808 53.736 52.037 -0.182 0.000 0.620 1077 A CB -0.959 18.060 19.000 0.032 0.000 0.822 1077 A HN 0.239 nan 8.150 nan 0.000 0.443 1078 V N 0.136 119.971 119.914 -0.131 0.000 2.307 1078 V HA -0.235 3.885 4.120 -0.001 0.000 0.245 1078 V C 2.623 178.628 176.094 -0.147 0.000 1.045 1078 V CA 2.415 64.528 62.300 -0.313 0.000 1.024 1078 V CB -0.762 30.685 31.823 -0.627 0.000 0.651 1078 V HN 0.759 nan 8.190 nan 0.000 0.449 1079 E N 0.971 121.114 120.200 -0.096 0.000 2.058 1079 E HA -0.252 4.098 4.350 -0.001 0.000 0.194 1079 E C 2.076 178.700 176.600 0.040 0.000 0.997 1079 E CA 2.045 58.442 56.400 -0.005 0.000 0.801 1079 E CB -0.305 29.423 29.700 0.046 0.000 0.746 1079 E HN 0.682 nan 8.360 nan 0.000 0.450 1080 E N -0.192 120.021 120.200 0.022 0.000 2.107 1080 E HA -0.091 4.258 4.350 -0.001 0.000 0.191 1080 E C 2.278 178.917 176.600 0.066 0.000 0.982 1080 E CA 0.887 57.310 56.400 0.038 0.000 0.809 1080 E CB -0.111 29.592 29.700 0.004 0.000 0.756 1080 E HN 0.306 nan 8.360 nan 0.000 0.459 1081 L N 0.692 121.979 121.223 0.107 0.000 2.083 1081 L HA -0.164 4.175 4.340 -0.001 0.000 0.209 1081 L C 2.587 179.572 176.870 0.192 0.000 1.083 1081 L CA 0.964 55.906 54.840 0.169 0.000 0.752 1081 L CB -0.429 41.809 42.059 0.300 0.000 0.899 1081 L HN 0.134 nan 8.230 nan 0.000 0.433 1082 A N -0.480 122.495 122.820 0.259 0.000 1.902 1082 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 1082 A C 2.217 179.867 177.584 0.110 0.000 1.181 1082 A CA 1.508 53.673 52.037 0.214 0.000 0.623 1082 A CB -0.467 18.647 19.000 0.189 0.000 0.818 1082 A HN 0.480 nan 8.150 nan 0.000 0.443 1083 Q N -0.637 119.215 119.800 0.087 0.000 2.181 1083 Q HA -0.083 4.256 4.340 -0.001 0.000 0.205 1083 Q C 1.530 177.559 176.000 0.049 0.000 0.980 1083 Q CA 1.262 57.101 55.803 0.060 0.000 0.862 1083 Q CB -0.280 28.490 28.738 0.054 0.000 0.905 1083 Q HN 0.681 nan 8.270 nan 0.000 0.429 1084 L N -1.233 120.021 121.223 0.051 0.000 2.591 1084 L HA 0.163 4.503 4.340 -0.001 0.000 0.228 1084 L C 1.115 177.998 176.870 0.023 0.000 1.133 1084 L CA 0.440 55.300 54.840 0.034 0.000 0.880 1084 L CB 0.293 42.371 42.059 0.033 0.000 1.033 1084 L HN 0.402 nan 8.230 nan 0.000 0.450 1085 G N -0.372 108.445 108.800 0.028 0.000 2.192 1085 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.193 1085 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.193 1085 G C 0.246 175.134 174.900 -0.020 0.000 0.999 1085 G CA -0.693 44.412 45.100 0.009 0.000 0.659 1085 G HN 0.062 nan 8.290 nan 0.000 0.503 1086 I N 1.215 121.763 120.570 -0.037 0.000 2.618 1086 I HA 0.298 4.468 4.170 -0.001 0.000 0.284 1086 I C 1.317 177.343 176.117 -0.152 0.000 1.146 1086 I CA 0.313 61.502 61.300 -0.184 0.000 1.425 1086 I CB 0.958 38.737 38.000 -0.369 0.000 1.383 1086 I HN 0.100 nan 8.210 nan 0.000 0.562 1087 R N 2.950 123.329 120.500 -0.203 0.000 2.469 1087 R HA 0.200 4.539 4.340 -0.001 0.000 0.250 1087 R C -0.215 176.043 176.300 -0.070 0.000 0.909 1087 R CA 0.196 56.266 56.100 -0.050 0.000 1.050 1087 R CB 0.592 30.884 30.300 -0.014 0.000 1.256 1087 R HN 0.537 nan 8.270 nan 0.000 0.550 1088 T N 1.154 115.528 114.554 -0.299 0.000 2.879 1088 T HA 0.589 4.939 4.350 -0.001 0.000 0.290 1088 T C -1.021 173.417 174.700 -0.436 0.000 0.993 1088 T CA -0.291 61.694 62.100 -0.192 0.000 0.975 1088 T CB 1.337 70.139 68.868 -0.109 0.000 0.981 1088 T HN -0.154 nan 8.240 nan 0.000 0.439 1089 F N 2.563 122.511 119.950 -0.003 0.000 2.518 1089 F HA 0.567 5.093 4.527 -0.001 0.000 0.323 1089 F C -0.307 175.490 175.800 -0.005 0.000 1.129 1089 F CA -1.052 56.946 58.000 -0.004 0.000 0.920 1089 F CB 1.419 40.412 39.000 -0.011 0.000 1.160 1089 F HN 0.207 nan 8.300 nan 0.000 0.440 1090 L N 4.213 125.515 121.223 0.133 0.000 2.316 1090 L HA 0.512 4.852 4.340 -0.001 0.000 0.280 1090 L C -0.030 176.889 176.870 0.082 0.000 1.006 1090 L CA -0.697 54.192 54.840 0.082 0.000 0.836 1090 L CB 1.659 43.737 42.059 0.032 0.000 1.221 1090 L HN 0.597 nan 8.230 nan 0.000 0.418 1091 R N 4.195 124.739 120.500 0.073 0.000 2.340 1091 R HA 0.506 4.845 4.340 -0.001 0.000 0.300 1091 R C -0.855 175.466 176.300 0.035 0.000 1.069 1091 R CA -0.238 55.895 56.100 0.055 0.000 0.984 1091 R CB 1.046 31.371 30.300 0.040 0.000 1.003 1091 R HN 0.667 nan 8.270 nan 0.000 0.459 1092 I N 4.311 124.899 120.570 0.030 0.000 2.418 1092 I HA 0.568 4.737 4.170 -0.001 0.000 0.287 1092 I C -0.786 175.341 176.117 0.017 0.000 1.008 1092 I CA -0.354 60.958 61.300 0.019 0.000 1.104 1092 I CB 1.549 39.557 38.000 0.013 0.000 1.264 1092 I HN 0.827 nan 8.210 nan 0.000 0.438 1093 G N 4.046 112.856 108.800 0.016 0.000 2.818 1093 G HA2 0.683 4.643 3.960 -0.001 0.000 0.286 1093 G HA3 0.683 4.643 3.960 -0.001 0.000 0.286 1093 G C -0.954 173.955 174.900 0.015 0.000 1.364 1093 G CA -0.520 44.589 45.100 0.015 0.000 0.938 1093 G HN 0.581 nan 8.290 nan 0.000 0.490 1094 T N -2.794 111.770 114.554 0.017 0.000 2.912 1094 T HA 0.752 5.101 4.350 -0.001 0.000 0.288 1094 T C -0.443 174.273 174.700 0.027 0.000 1.030 1094 T CA -0.708 61.404 62.100 0.020 0.000 1.020 1094 T CB 2.091 70.969 68.868 0.017 0.000 1.056 1094 T HN 0.862 nan 8.240 nan 0.000 0.480 1095 T N 0.184 114.753 114.554 0.026 0.000 2.885 1095 T HA 0.646 4.996 4.350 -0.001 0.000 0.322 1095 T C 0.291 175.002 174.700 0.018 0.000 1.387 1095 T CA -0.088 62.028 62.100 0.026 0.000 1.041 1095 T CB 1.187 70.064 68.868 0.015 0.000 1.287 1095 T HN 1.130 nan 8.240 nan 0.000 0.491 1096 G N 1.043 109.855 108.800 0.019 0.000 2.525 1096 G HA2 0.771 4.731 3.960 -0.001 0.000 0.287 1096 G HA3 0.771 4.731 3.960 -0.001 0.000 0.287 1096 G C -0.432 174.456 174.900 -0.020 0.000 1.350 1096 G CA -0.086 45.016 45.100 0.003 0.000 1.039 1096 G HN 1.134 nan 8.290 nan 0.000 0.513 1097 A N -1.380 121.416 122.820 -0.040 0.000 2.556 1097 A HA 0.611 4.930 4.320 -0.001 0.000 0.294 1097 A C 0.167 177.700 177.584 -0.084 0.000 1.091 1097 A CA -0.349 51.634 52.037 -0.090 0.000 0.704 1097 A CB 1.221 20.139 19.000 -0.137 0.000 1.300 1097 A HN 1.240 nan 8.150 nan 0.000 0.406 1098 I N -2.567 117.928 120.570 -0.126 0.000 4.154 1098 I HA 0.296 4.466 4.170 -0.001 0.000 0.334 1098 I C -0.433 175.621 176.117 -0.106 0.000 1.371 1098 I CA -0.126 61.120 61.300 -0.090 0.000 1.110 1098 I CB 0.403 38.340 38.000 -0.105 0.000 1.085 1098 I HN 0.329 nan 8.210 nan 0.000 0.398 1099 Q N 2.147 121.831 119.800 -0.193 0.000 2.271 1099 Q HA 0.369 4.709 4.340 -0.001 0.000 0.258 1099 Q C -1.920 173.917 176.000 -0.271 0.000 0.936 1099 Q CA -1.911 53.742 55.803 -0.249 0.000 0.909 1099 Q CB 1.863 30.322 28.738 -0.465 0.000 1.253 1099 Q HN 0.002 nan 8.270 nan 0.000 0.440 1100 P HA -0.183 nan 4.420 nan 0.000 0.217 1100 P C 0.645 177.911 177.300 -0.056 0.000 1.148 1100 P CA 1.617 64.688 63.100 -0.049 0.000 0.828 1100 P CB 0.110 31.829 31.700 0.031 0.000 0.783 1101 H N -2.828 116.210 119.070 -0.054 0.000 2.548 1101 H HA 0.227 4.783 4.556 -0.001 0.000 0.265 1101 H C 0.586 175.870 175.328 -0.075 0.000 0.969 1101 H CA -0.225 55.797 56.048 -0.043 0.000 1.155 1101 H CB -0.935 28.811 29.762 -0.026 0.000 1.394 1101 H HN 0.060 nan 8.280 nan 0.000 0.570 1102 I N 2.727 123.003 120.570 -0.489 0.000 2.322 1102 I HA 0.084 4.254 4.170 -0.001 0.000 0.292 1102 I C -0.338 175.695 176.117 -0.139 0.000 1.060 1102 I CA -0.480 60.584 61.300 -0.393 0.000 1.309 1102 I CB 0.442 38.102 38.000 -0.566 0.000 1.415 1102 I HN 0.303 nan 8.210 nan 0.000 0.492 1103 N N 5.288 123.978 118.700 -0.016 0.000 2.508 1103 N HA 0.276 5.016 4.740 -0.001 0.000 0.285 1103 N C -0.409 175.099 175.510 -0.004 0.000 1.144 1103 N CA -0.576 52.474 53.050 -0.001 0.000 0.978 1103 N CB 1.843 40.346 38.487 0.026 0.000 1.180 1103 N HN 0.169 nan 8.380 nan 0.000 0.484 1104 V N 0.991 120.899 119.914 -0.010 0.000 2.540 1104 V HA 0.270 4.389 4.120 -0.001 0.000 0.297 1104 V C 1.469 177.554 176.094 -0.016 0.000 1.024 1104 V CA 1.492 63.786 62.300 -0.010 0.000 1.105 1104 V CB 0.115 31.934 31.823 -0.006 0.000 0.938 1104 V HN 1.051 nan 8.190 nan 0.000 0.482 1105 G N 3.993 112.779 108.800 -0.023 0.000 2.278 1105 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.210 1105 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.210 1105 G C -0.054 174.803 174.900 -0.072 0.000 1.000 1105 G CA -0.100 44.965 45.100 -0.058 0.000 0.635 1105 G HN 0.646 nan 8.290 nan 0.000 0.495 1106 D N 0.341 120.732 120.400 -0.015 0.000 2.357 1106 D HA 0.505 5.145 4.640 -0.001 0.000 0.242 1106 D C 0.427 176.745 176.300 0.030 0.000 1.153 1106 D CA 0.113 54.127 54.000 0.024 0.000 0.918 1106 D CB 1.768 42.659 40.800 0.152 0.000 1.181 1106 D HN 0.215 nan 8.370 nan 0.000 0.435 1107 V N 1.824 121.759 119.914 0.035 0.000 2.513 1107 V HA 0.368 4.487 4.120 -0.001 0.000 0.299 1107 V C -0.061 176.073 176.094 0.067 0.000 1.035 1107 V CA -0.744 61.578 62.300 0.038 0.000 0.889 1107 V CB 1.424 33.262 31.823 0.024 0.000 0.988 1107 V HN 0.274 nan 8.190 nan 0.000 0.440 1108 L N 5.157 126.415 121.223 0.058 0.000 2.313 1108 L HA 0.662 5.002 4.340 -0.001 0.000 0.283 1108 L C -0.735 176.155 176.870 0.033 0.000 1.013 1108 L CA -0.791 54.087 54.840 0.062 0.000 0.816 1108 L CB 1.942 44.025 42.059 0.039 0.000 1.236 1108 L HN 0.317 nan 8.230 nan 0.000 0.419 1109 V N 1.730 121.663 119.914 0.031 0.000 2.417 1109 V HA 0.349 4.468 4.120 -0.001 0.000 0.291 1109 V C 0.181 176.281 176.094 0.011 0.000 1.024 1109 V CA -0.403 61.904 62.300 0.012 0.000 0.861 1109 V CB 1.896 33.719 31.823 -0.001 0.000 0.985 1109 V HN 0.735 nan 8.190 nan 0.000 0.436 1110 T N 3.223 117.779 114.554 0.003 0.000 2.744 1110 T HA 0.229 4.579 4.350 -0.001 0.000 0.291 1110 T C 1.268 175.969 174.700 0.001 0.000 0.957 1110 T CA 0.139 62.238 62.100 -0.002 0.000 1.002 1110 T CB 1.273 70.135 68.868 -0.010 0.000 0.919 1110 T HN 0.964 nan 8.240 nan 0.000 0.468 1111 T N 0.665 115.222 114.554 0.005 0.000 2.978 1111 T HA 0.496 4.846 4.350 -0.001 0.000 0.262 1111 T C 0.720 175.426 174.700 0.010 0.000 1.063 1111 T CA 0.284 62.393 62.100 0.015 0.000 1.140 1111 T CB 0.163 69.046 68.868 0.024 0.000 0.886 1111 T HN 0.774 nan 8.240 nan 0.000 0.470 1112 A N -0.092 122.725 122.820 -0.006 0.000 2.567 1112 A HA 0.658 4.978 4.320 -0.001 0.000 0.291 1112 A C -1.128 176.436 177.584 -0.035 0.000 1.048 1112 A CA -0.859 51.170 52.037 -0.013 0.000 0.661 1112 A CB 1.022 20.012 19.000 -0.016 0.000 1.288 1112 A HN 0.201 nan 8.150 nan 0.000 0.424 1113 S N -0.355 115.321 115.700 -0.039 0.000 2.536 1113 S HA 0.610 5.079 4.470 -0.001 0.000 0.298 1113 S C -0.398 174.146 174.600 -0.094 0.000 1.083 1113 S CA -0.566 57.591 58.200 -0.071 0.000 0.995 1113 S CB 1.717 64.885 63.200 -0.053 0.000 1.058 1113 S HN 0.953 nan 8.310 nan 0.000 0.488 1114 V N 3.140 122.946 119.914 -0.180 0.000 2.521 1114 V HA 0.185 4.305 4.120 -0.001 0.000 0.286 1114 V C 0.570 176.573 176.094 -0.151 0.000 1.034 1114 V CA 0.017 62.171 62.300 -0.243 0.000 1.045 1114 V CB -0.009 31.464 31.823 -0.584 0.000 0.974 1114 V HN 0.697 nan 8.190 nan 0.000 0.480 1115 R N 5.296 125.761 120.500 -0.059 0.000 2.891 1115 R HA 0.337 4.677 4.340 -0.001 0.000 0.248 1115 R C 0.020 176.352 176.300 0.053 0.000 1.439 1115 R CA -0.143 55.964 56.100 0.011 0.000 1.288 1115 R CB 0.063 30.396 30.300 0.054 0.000 1.212 1115 R HN 0.668 nan 8.270 nan 0.000 0.605 1116 L N 2.032 123.289 121.223 0.057 0.000 2.912 1116 L HA 0.138 4.477 4.340 -0.001 0.000 0.240 1116 L C 0.252 177.206 176.870 0.140 0.000 1.262 1116 L CA -0.245 54.695 54.840 0.167 0.000 1.058 1116 L CB -0.658 41.540 42.059 0.231 0.000 1.383 1116 L HN 0.499 nan 8.230 nan 0.000 0.512 1117 D N -1.341 119.115 120.400 0.095 0.000 2.525 1117 D HA 0.315 4.954 4.640 -0.001 0.000 0.249 1117 D C 0.745 177.090 176.300 0.076 0.000 1.072 1117 D CA -0.379 53.662 54.000 0.068 0.000 1.067 1117 D CB 1.885 42.708 40.800 0.038 0.000 1.282 1117 D HN -0.073 nan 8.370 nan 0.000 0.587 1118 G N -1.160 107.665 108.800 0.043 0.000 2.724 1118 G HA2 0.235 4.195 3.960 -0.001 0.000 0.205 1118 G HA3 0.235 4.195 3.960 -0.001 0.000 0.205 1118 G C 1.267 176.139 174.900 -0.047 0.000 1.112 1118 G CA 0.568 45.690 45.100 0.037 0.000 0.793 1118 G HN 0.613 nan 8.290 nan 0.000 0.526 1119 A N 1.732 124.482 122.820 -0.116 0.000 1.969 1119 A HA 0.025 4.344 4.320 -0.001 0.000 0.218 1119 A C 2.661 180.293 177.584 0.080 0.000 1.169 1119 A CA 2.261 54.167 52.037 -0.218 0.000 0.635 1119 A CB -0.631 18.319 19.000 -0.083 0.000 0.810 1119 A HN 0.692 nan 8.150 nan 0.000 0.445 1120 S N 0.399 116.181 115.700 0.136 0.000 2.383 1120 S HA -0.144 4.325 4.470 -0.001 0.000 0.229 1120 S C 1.706 176.453 174.600 0.246 0.000 1.030 1120 S CA 1.538 59.870 58.200 0.220 0.000 1.002 1120 S CB -0.797 62.483 63.200 0.133 0.000 0.829 1120 S HN 0.457 nan 8.310 nan 0.000 0.467 1121 L N 0.795 122.139 121.223 0.202 0.000 2.456 1121 L HA -0.001 4.339 4.340 -0.001 0.000 0.224 1121 L C 2.231 179.210 176.870 0.180 0.000 1.148 1121 L CA 1.037 55.991 54.840 0.189 0.000 0.825 1121 L CB -0.698 41.471 42.059 0.184 0.000 0.937 1121 L HN 0.513 nan 8.230 nan 0.000 0.450 1122 H N -1.947 117.067 119.070 -0.094 0.000 2.539 1122 H HA 0.040 4.595 4.556 -0.000 0.000 0.267 1122 H C 1.218 176.162 175.328 -0.639 0.000 0.982 1122 H CA 0.378 56.218 56.048 -0.346 0.000 1.146 1122 H CB 0.449 29.948 29.762 -0.439 0.000 1.382 1122 H HN 0.334 nan 8.280 nan 0.000 0.577 1123 F N -0.144 119.836 119.950 0.051 0.000 2.667 1123 F HA 0.434 4.960 4.527 -0.001 0.000 0.288 1123 F C 0.847 176.568 175.800 -0.132 0.000 1.086 1123 F CA 0.013 57.983 58.000 -0.050 0.000 1.297 1123 F CB 1.009 39.966 39.000 -0.072 0.000 1.059 1123 F HN -0.039 nan 8.300 nan 0.000 0.624 1124 A N 0.396 123.245 122.820 0.049 0.000 2.589 1124 A HA 0.621 4.941 4.320 -0.001 0.000 0.296 1124 A C -2.803 174.804 177.584 0.038 0.000 1.062 1124 A CA -1.364 50.629 52.037 -0.074 0.000 0.686 1124 A CB 0.668 19.458 19.000 -0.351 0.000 1.282 1124 A HN -0.172 nan 8.150 nan 0.000 0.404 1125 P HA 0.142 nan 4.420 nan 0.000 0.272 1125 P C 0.821 178.202 177.300 0.135 0.000 1.240 1125 P CA -0.257 62.892 63.100 0.083 0.000 0.791 1125 P CB 0.480 32.222 31.700 0.071 0.000 0.978 1126 M N 1.066 120.734 119.600 0.113 0.000 2.267 1126 M HA -0.167 4.313 4.480 -0.001 0.000 0.263 1126 M C 1.486 177.863 176.300 0.127 0.000 1.063 1126 M CA 1.901 57.272 55.300 0.118 0.000 1.090 1126 M CB -1.244 31.411 32.600 0.092 0.000 1.392 1126 M HN 0.300 nan 8.290 nan 0.000 0.422 1127 E N -0.924 119.351 120.200 0.124 0.000 2.265 1127 E HA -0.082 4.267 4.350 -0.001 0.000 0.196 1127 E C 0.211 176.889 176.600 0.129 0.000 0.996 1127 E CA 0.533 56.997 56.400 0.107 0.000 0.832 1127 E CB -0.394 29.361 29.700 0.093 0.000 0.756 1127 E HN 0.498 nan 8.360 nan 0.000 0.491 1128 F N 2.153 122.125 119.950 0.037 0.000 2.443 1128 F HA 0.195 4.721 4.527 -0.000 0.000 0.353 1128 F C -2.025 173.794 175.800 0.032 0.000 1.101 1128 F CA -2.793 55.229 58.000 0.036 0.000 1.226 1128 F CB 0.696 39.723 39.000 0.045 0.000 1.140 1128 F HN -0.141 nan 8.300 nan 0.000 0.557 1129 P HA 0.175 nan 4.420 nan 0.000 0.286 1129 P C -1.309 175.994 177.300 0.005 0.000 1.269 1129 P CA -0.426 62.578 63.100 -0.159 0.000 0.787 1129 P CB 1.347 32.887 31.700 -0.266 0.000 0.920 1130 A N 3.989 126.853 122.820 0.073 0.000 3.026 1130 A HA 0.259 4.578 4.320 -0.001 0.000 0.272 1130 A C 0.267 177.875 177.584 0.040 0.000 1.782 1130 A CA -0.259 51.834 52.037 0.093 0.000 1.451 1130 A CB -0.947 18.088 19.000 0.059 0.000 1.081 1130 A HN 0.465 nan 8.150 nan 0.000 0.611 1131 V N 1.931 121.869 119.914 0.039 0.000 2.532 1131 V HA 0.718 4.837 4.120 -0.001 0.000 0.295 1131 V C 0.607 176.727 176.094 0.043 0.000 1.041 1131 V CA -0.210 62.100 62.300 0.016 0.000 0.926 1131 V CB 1.438 33.246 31.823 -0.026 0.000 0.992 1131 V HN 0.928 nan 8.190 nan 0.000 0.457 1132 A N 4.206 127.049 122.820 0.039 0.000 2.332 1132 A HA 0.421 4.740 4.320 -0.001 0.000 0.258 1132 A C 0.008 177.635 177.584 0.072 0.000 1.087 1132 A CA -0.238 51.828 52.037 0.047 0.000 0.802 1132 A CB 0.222 19.241 19.000 0.030 0.000 1.042 1132 A HN 1.025 nan 8.150 nan 0.000 0.489 1133 D N -0.100 120.345 120.400 0.075 0.000 2.389 1133 D HA 0.136 4.775 4.640 -0.001 0.000 0.247 1133 D C 0.675 177.043 176.300 0.113 0.000 1.128 1133 D CA -0.054 54.006 54.000 0.101 0.000 0.884 1133 D CB 0.179 41.031 40.800 0.087 0.000 1.194 1133 D HN 0.378 nan 8.370 nan 0.000 0.441 1134 F N 4.108 124.068 119.950 0.017 0.000 2.134 1134 F HA -0.111 4.415 4.527 -0.001 0.000 0.299 1134 F C 2.022 177.829 175.800 0.012 0.000 1.097 1134 F CA 1.774 59.780 58.000 0.011 0.000 1.264 1134 F CB -0.343 38.662 39.000 0.008 0.000 1.001 1134 F HN 0.490 nan 8.300 nan 0.000 0.479 1135 A N -0.559 122.270 122.820 0.014 0.000 1.902 1135 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 1135 A C 2.345 179.853 177.584 -0.127 0.000 1.181 1135 A CA 1.777 53.765 52.037 -0.081 0.000 0.623 1135 A CB -1.659 17.367 19.000 0.043 0.000 0.818 1135 A HN 0.574 nan 8.150 nan 0.000 0.443 1136 C N -1.216 118.045 119.300 -0.065 0.000 2.453 1136 C HA -0.063 4.397 4.460 -0.001 0.000 0.277 1136 C C 3.045 177.978 174.990 -0.094 0.000 1.262 1136 C CA 1.501 60.487 59.018 -0.054 0.000 1.718 1136 C CB -1.468 26.270 27.740 -0.004 0.000 2.031 1136 C HN 0.643 nan 8.230 nan 0.000 0.480 1137 T N 0.600 115.079 114.554 -0.124 0.000 2.746 1137 T HA -0.158 4.191 4.350 -0.001 0.000 0.267 1137 T C 1.797 176.373 174.700 -0.206 0.000 1.039 1137 T CA 2.121 64.141 62.100 -0.135 0.000 1.142 1137 T CB -0.529 68.273 68.868 -0.109 0.000 0.866 1137 T HN 0.588 nan 8.240 nan 0.000 0.444 1138 T N 2.068 116.400 114.554 -0.370 0.000 2.684 1138 T HA -0.066 4.283 4.350 -0.001 0.000 0.267 1138 T C 2.407 176.992 174.700 -0.192 0.000 1.036 1138 T CA 1.258 63.138 62.100 -0.367 0.000 1.148 1138 T CB -0.579 67.949 68.868 -0.567 0.000 0.863 1138 T HN 0.445 nan 8.240 nan 0.000 0.436 1139 A N 0.940 123.668 122.820 -0.154 0.000 1.933 1139 A HA 0.024 4.343 4.320 -0.001 0.000 0.218 1139 A C 2.300 179.842 177.584 -0.069 0.000 1.175 1139 A CA 1.170 53.152 52.037 -0.091 0.000 0.628 1139 A CB -0.772 18.186 19.000 -0.069 0.000 0.814 1139 A HN 0.477 nan 8.150 nan 0.000 0.444 1140 L N -0.847 120.334 121.223 -0.070 0.000 2.027 1140 L HA -0.128 4.212 4.340 -0.001 0.000 0.206 1140 L C 2.514 179.358 176.870 -0.044 0.000 1.074 1140 L CA 0.943 55.755 54.840 -0.046 0.000 0.745 1140 L CB -0.520 41.517 42.059 -0.036 0.000 0.898 1140 L HN 0.228 nan 8.230 nan 0.000 0.433 1141 V N -0.121 119.756 119.914 -0.061 0.000 2.343 1141 V HA -0.255 3.865 4.120 -0.001 0.000 0.247 1141 V C 2.348 178.415 176.094 -0.045 0.000 1.051 1141 V CA 1.756 64.025 62.300 -0.052 0.000 1.036 1141 V CB -0.449 31.335 31.823 -0.064 0.000 0.654 1141 V HN 0.466 nan 8.190 nan 0.000 0.451 1142 E N 0.161 120.329 120.200 -0.054 0.000 2.152 1142 E HA -0.106 4.243 4.350 -0.001 0.000 0.192 1142 E C 2.298 178.880 176.600 -0.030 0.000 0.983 1142 E CA 1.100 57.475 56.400 -0.041 0.000 0.818 1142 E CB -0.244 29.427 29.700 -0.047 0.000 0.758 1142 E HN 0.603 nan 8.360 nan 0.000 0.467 1143 A N 1.612 124.413 122.820 -0.031 0.000 1.930 1143 A HA -0.030 4.290 4.320 -0.001 0.000 0.217 1143 A C 2.396 179.972 177.584 -0.013 0.000 1.175 1143 A CA 1.411 53.434 52.037 -0.023 0.000 0.627 1143 A CB -0.442 18.543 19.000 -0.024 0.000 0.815 1143 A HN 0.270 nan 8.150 nan 0.000 0.443 1144 A N 0.005 122.819 122.820 -0.010 0.000 1.902 1144 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 1144 A C 2.109 179.696 177.584 0.004 0.000 1.181 1144 A CA 1.842 53.883 52.037 0.005 0.000 0.623 1144 A CB -0.410 18.588 19.000 -0.004 0.000 0.818 1144 A HN 0.538 nan 8.150 nan 0.000 0.443 1145 K N 0.304 120.698 120.400 -0.010 0.000 2.026 1145 K HA -0.139 4.181 4.320 -0.001 0.000 0.208 1145 K C 2.423 179.021 176.600 -0.004 0.000 1.048 1145 K CA 1.652 57.934 56.287 -0.010 0.000 0.929 1145 K CB -0.288 32.203 32.500 -0.016 0.000 0.713 1145 K HN 0.651 nan 8.250 nan 0.000 0.439 1146 S N 1.614 117.309 115.700 -0.008 0.000 2.420 1146 S HA -0.173 4.297 4.470 -0.001 0.000 0.237 1146 S C 1.863 176.460 174.600 -0.006 0.000 1.023 1146 S CA 1.526 59.721 58.200 -0.009 0.000 0.991 1146 S CB -0.706 62.484 63.200 -0.015 0.000 0.792 1146 S HN 0.521 nan 8.310 nan 0.000 0.488 1147 I N -3.190 117.381 120.570 0.003 0.000 4.018 1147 I HA 0.588 4.758 4.170 -0.001 0.000 0.337 1147 I C 1.275 177.428 176.117 0.059 0.000 1.327 1147 I CA 0.123 61.429 61.300 0.009 0.000 1.100 1147 I CB -0.160 37.825 38.000 -0.025 0.000 1.025 1147 I HN 0.344 nan 8.210 nan 0.000 0.396 1148 G N 1.810 110.637 108.800 0.045 0.000 2.143 1148 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.248 1148 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.248 1148 G C 0.442 175.371 174.900 0.048 0.000 0.991 1148 G CA 0.071 45.196 45.100 0.042 0.000 0.689 1148 G HN 0.968 nan 8.290 nan 0.000 0.522 1149 A N 0.167 123.030 122.820 0.070 0.000 2.477 1149 A HA 0.605 4.924 4.320 -0.001 0.000 0.246 1149 A C 0.909 178.465 177.584 -0.046 0.000 1.078 1149 A CA 1.057 53.109 52.037 0.026 0.000 0.770 1149 A CB 0.295 19.353 19.000 0.097 0.000 1.011 1149 A HN 0.834 nan 8.150 nan 0.000 0.494 1150 T N 3.318 117.817 114.554 -0.091 0.000 2.751 1150 T HA 0.374 4.724 4.350 -0.001 0.000 0.290 1150 T C 0.182 174.769 174.700 -0.188 0.000 0.919 1150 T CA 0.630 62.651 62.100 -0.130 0.000 1.136 1150 T CB -0.208 68.598 68.868 -0.104 0.000 0.875 1150 T HN 0.649 nan 8.240 nan 0.000 0.532 1151 T N 4.668 119.067 114.554 -0.258 0.000 2.841 1151 T HA 0.394 4.744 4.350 -0.001 0.000 0.283 1151 T C -0.565 173.904 174.700 -0.386 0.000 1.000 1151 T CA -0.802 61.164 62.100 -0.222 0.000 0.977 1151 T CB 0.951 69.760 68.868 -0.099 0.000 0.979 1151 T HN 0.526 nan 8.240 nan 0.000 0.446 1152 H N 1.020 120.097 119.070 0.012 0.000 2.538 1152 H HA 0.585 5.140 4.556 -0.001 0.000 0.353 1152 H C -0.972 174.362 175.328 0.011 0.000 1.109 1152 H CA -0.552 55.511 56.048 0.024 0.000 1.192 1152 H CB 1.900 31.683 29.762 0.034 0.000 1.555 1152 H HN 0.270 nan 8.280 nan 0.000 0.518 1153 V N 2.205 122.190 119.914 0.119 0.000 2.487 1153 V HA 0.712 4.831 4.120 -0.001 0.000 0.298 1153 V C 0.506 176.637 176.094 0.062 0.000 1.028 1153 V CA -0.217 62.121 62.300 0.063 0.000 0.860 1153 V CB 1.433 33.276 31.823 0.033 0.000 0.991 1153 V HN 1.110 nan 8.190 nan 0.000 0.427 1154 G N 3.206 112.029 108.800 0.039 0.000 2.404 1154 G HA2 0.359 4.319 3.960 -0.001 0.000 0.253 1154 G HA3 0.359 4.319 3.960 -0.001 0.000 0.253 1154 G C -1.475 173.424 174.900 -0.000 0.000 1.253 1154 G CA -0.388 44.727 45.100 0.026 0.000 0.917 1154 G HN 0.528 nan 8.290 nan 0.000 0.480 1155 V N 0.907 120.811 119.914 -0.017 0.000 2.509 1155 V HA 0.647 4.766 4.120 -0.001 0.000 0.284 1155 V C 0.300 176.341 176.094 -0.089 0.000 1.047 1155 V CA -0.061 62.210 62.300 -0.049 0.000 0.952 1155 V CB 1.299 33.092 31.823 -0.050 0.000 0.988 1155 V HN 0.782 nan 8.190 nan 0.000 0.469 1156 T N 3.582 118.071 114.554 -0.110 0.000 2.856 1156 T HA 0.661 5.011 4.350 -0.001 0.000 0.283 1156 T C -0.093 174.479 174.700 -0.213 0.000 1.008 1156 T CA -0.306 61.708 62.100 -0.144 0.000 0.997 1156 T CB 1.672 70.488 68.868 -0.087 0.000 0.992 1156 T HN 0.898 nan 8.240 nan 0.000 0.454 1157 A N 2.111 124.751 122.820 -0.299 0.000 2.276 1157 A HA 0.625 4.945 4.320 -0.001 0.000 0.300 1157 A C 0.311 177.827 177.584 -0.113 0.000 1.235 1157 A CA -0.467 51.352 52.037 -0.364 0.000 0.867 1157 A CB 0.427 19.026 19.000 -0.668 0.000 1.137 1157 A HN 0.625 nan 8.150 nan 0.000 0.527 1158 S N 2.101 117.747 115.700 -0.090 0.000 2.461 1158 S HA 0.508 4.978 4.470 -0.001 0.000 0.322 1158 S C -0.073 174.531 174.600 0.006 0.000 1.063 1158 S CA -0.324 57.864 58.200 -0.020 0.000 1.120 1158 S CB 0.309 63.492 63.200 -0.027 0.000 0.968 1158 S HN 0.939 nan 8.310 nan 0.000 0.467 1159 S N 3.203 118.910 115.700 0.012 0.000 2.509 1159 S HA 0.362 4.831 4.470 -0.001 0.000 0.297 1159 S C 0.392 174.971 174.600 -0.036 0.000 1.118 1159 S CA -0.616 57.568 58.200 -0.026 0.000 1.074 1159 S CB 1.157 64.275 63.200 -0.136 0.000 1.038 1159 S HN 0.698 nan 8.310 nan 0.000 0.498 1160 D N 1.947 122.332 120.400 -0.024 0.000 2.363 1160 D HA 0.121 4.761 4.640 -0.001 0.000 0.226 1160 D C 0.646 176.928 176.300 -0.030 0.000 1.020 1160 D CA 0.743 54.736 54.000 -0.011 0.000 0.892 1160 D CB 0.198 41.010 40.800 0.019 0.000 0.900 1160 D HN 0.711 nan 8.370 nan 0.000 0.531 1161 T N -4.080 110.421 114.554 -0.089 0.000 2.906 1161 T HA 0.290 4.639 4.350 -0.001 0.000 0.295 1161 T C 0.386 175.018 174.700 -0.113 0.000 1.075 1161 T CA -0.869 61.190 62.100 -0.069 0.000 1.005 1161 T CB 1.177 69.994 68.868 -0.086 0.000 1.136 1161 T HN -0.137 nan 8.240 nan 0.000 0.498 1162 F N 0.066 119.872 119.950 -0.241 0.000 2.473 1162 F HA 0.243 4.769 4.527 -0.001 0.000 0.294 1162 F C 0.869 176.328 175.800 -0.569 0.000 1.103 1162 F CA 0.581 58.323 58.000 -0.430 0.000 1.442 1162 F CB -0.027 38.663 39.000 -0.517 0.000 1.097 1162 F HN 0.670 nan 8.300 nan 0.000 0.547 1163 Y N 0.738 120.979 120.300 -0.097 0.000 2.344 1163 Y HA 0.180 4.730 4.550 -0.001 0.000 0.261 1163 Y C -0.486 175.231 175.900 -0.305 0.000 1.080 1163 Y CA 0.346 58.345 58.100 -0.168 0.000 1.151 1163 Y CB -1.941 36.509 38.460 -0.016 0.000 1.059 1163 Y HN -0.237 nan 8.280 nan 0.000 0.490 1164 P HA -0.070 nan 4.420 nan 0.000 0.219 1164 P C 1.442 178.441 177.300 -0.502 0.000 1.150 1164 P CA 2.110 65.064 63.100 -0.243 0.000 0.814 1164 P CB -0.146 31.478 31.700 -0.127 0.000 0.787 1165 G N 0.107 108.482 108.800 -0.709 0.000 2.509 1165 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.218 1165 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.218 1165 G C 1.320 175.735 174.900 -0.808 0.000 1.124 1165 G CA 0.258 44.630 45.100 -1.213 0.000 0.776 1165 G HN 0.377 nan 8.290 nan 0.000 0.547 1166 Q N -0.449 118.884 119.800 -0.777 0.000 2.189 1166 Q HA 0.210 4.549 4.340 -0.001 0.000 0.221 1166 Q C 0.021 175.693 176.000 -0.546 0.000 0.848 1166 Q CA -0.282 54.839 55.803 -1.136 0.000 1.007 1166 Q CB 0.418 28.361 28.738 -1.325 0.000 1.116 1166 Q HN 0.598 nan 8.270 nan 0.000 0.481 1167 E N 1.764 121.759 120.200 -0.341 0.000 2.238 1167 E HA -0.246 4.103 4.350 -0.001 0.000 0.219 1167 E C -0.927 175.494 176.600 -0.298 0.000 1.275 1167 E CA 0.152 56.400 56.400 -0.252 0.000 0.714 1167 E CB -0.320 29.378 29.700 -0.003 0.000 1.154 1167 E HN 0.343 nan 8.360 nan 0.000 0.363 1168 R N 0.245 120.555 120.500 -0.316 0.000 2.265 1168 R HA 0.176 4.516 4.340 -0.001 0.000 0.314 1168 R C 0.220 176.387 176.300 -0.221 0.000 1.053 1168 R CA -0.155 55.851 56.100 -0.157 0.000 0.931 1168 R CB 0.476 30.748 30.300 -0.047 0.000 1.024 1168 R HN 0.228 nan 8.270 nan 0.000 0.457 1169 Y N 0.136 120.465 120.300 0.048 0.000 2.458 1169 Y HA -0.011 4.539 4.550 -0.001 0.000 0.254 1169 Y C 0.680 176.603 175.900 0.037 0.000 1.120 1169 Y CA -0.266 57.857 58.100 0.038 0.000 1.282 1169 Y CB 0.453 38.926 38.460 0.023 0.000 1.109 1169 Y HN 0.541 nan 8.280 nan 0.000 0.526 1170 D N 1.390 121.899 120.400 0.183 0.000 2.671 1170 D HA 0.046 4.685 4.640 -0.001 0.000 0.228 1170 D C 0.238 176.587 176.300 0.082 0.000 1.102 1170 D CA 0.261 54.339 54.000 0.131 0.000 1.044 1170 D CB -0.498 40.384 40.800 0.137 0.000 1.113 1170 D HN 0.247 nan 8.370 nan 0.000 0.480 1171 T N -3.580 110.995 114.554 0.034 0.000 2.804 1171 T HA 0.212 4.562 4.350 -0.001 0.000 0.290 1171 T C 0.775 175.474 174.700 -0.002 0.000 1.099 1171 T CA -0.926 61.144 62.100 -0.051 0.000 1.011 1171 T CB 0.988 69.802 68.868 -0.090 0.000 1.291 1171 T HN 0.022 nan 8.240 nan 0.000 0.523 1172 Y N 1.721 121.950 120.300 -0.119 0.000 2.081 1172 Y HA -0.140 4.409 4.550 -0.001 0.000 0.280 1172 Y C 2.755 178.633 175.900 -0.037 0.000 1.163 1172 Y CA 2.902 60.958 58.100 -0.074 0.000 1.135 1172 Y CB -0.579 37.829 38.460 -0.086 0.000 0.970 1172 Y HN 0.758 nan 8.280 nan 0.000 0.498 1173 S N -1.390 114.240 115.700 -0.116 0.000 2.458 1173 S HA 0.195 4.664 4.470 -0.001 0.000 0.223 1173 S C 1.912 176.461 174.600 -0.085 0.000 1.019 1173 S CA 0.577 58.672 58.200 -0.174 0.000 0.937 1173 S CB -0.439 62.750 63.200 -0.019 0.000 0.788 1173 S HN 1.000 nan 8.310 nan 0.000 0.511 1174 G N 1.554 110.346 108.800 -0.014 0.000 2.168 1174 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.263 1174 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.263 1174 G C 0.078 175.071 174.900 0.155 0.000 0.977 1174 G CA 0.470 45.615 45.100 0.075 0.000 0.659 1174 G HN 0.817 nan 8.290 nan 0.000 0.533 1175 R N -0.302 120.248 120.500 0.083 0.000 2.474 1175 R HA 0.644 4.984 4.340 -0.001 0.000 0.295 1175 R C -0.741 175.584 176.300 0.043 0.000 0.980 1175 R CA -0.544 55.615 56.100 0.099 0.000 0.934 1175 R CB 1.429 31.764 30.300 0.059 0.000 1.101 1175 R HN 0.096 nan 8.270 nan 0.000 0.469 1176 V N 4.906 124.862 119.914 0.070 0.000 2.531 1176 V HA 0.215 4.334 4.120 -0.001 0.000 0.301 1176 V C 0.030 176.182 176.094 0.096 0.000 1.034 1176 V CA -0.883 61.414 62.300 -0.004 0.000 0.865 1176 V CB 1.683 33.380 31.823 -0.209 0.000 0.995 1176 V HN 0.656 nan 8.190 nan 0.000 0.424 1177 V N 5.779 125.765 119.914 0.121 0.000 3.032 1177 V HA 0.062 4.182 4.120 -0.001 0.000 0.307 1177 V C 1.864 178.022 176.094 0.106 0.000 1.097 1177 V CA 0.716 63.090 62.300 0.122 0.000 1.191 1177 V CB 0.943 32.855 31.823 0.148 0.000 0.964 1177 V HN 0.976 nan 8.190 nan 0.000 0.494 1178 R N 3.356 123.890 120.500 0.056 0.000 2.134 1178 R HA -0.243 4.096 4.340 -0.001 0.000 0.248 1178 R C 2.315 178.595 176.300 -0.034 0.000 1.143 1178 R CA 2.636 58.748 56.100 0.019 0.000 0.957 1178 R CB -0.395 29.906 30.300 0.002 0.000 0.867 1178 R HN 0.829 nan 8.270 nan 0.000 0.441 1179 R N -0.780 119.659 120.500 -0.101 0.000 2.133 1179 R HA -0.190 4.150 4.340 -0.001 0.000 0.247 1179 R C 1.385 177.423 176.300 -0.438 0.000 1.151 1179 R CA 2.166 58.077 56.100 -0.314 0.000 0.971 1179 R CB -0.223 29.793 30.300 -0.473 0.000 0.866 1179 R HN 0.287 nan 8.270 nan 0.000 0.447 1180 F N 0.224 120.189 119.950 0.025 0.000 2.721 1180 F HA 0.287 4.814 4.527 -0.001 0.000 0.301 1180 F C 0.383 176.185 175.800 0.003 0.000 1.096 1180 F CA -0.133 57.880 58.000 0.021 0.000 1.308 1180 F CB 0.272 39.284 39.000 0.021 0.000 1.086 1180 F HN -0.256 nan 8.300 nan 0.000 0.587 1181 K N 0.531 121.016 120.400 0.140 0.000 2.436 1181 K HA 0.290 4.609 4.320 -0.001 0.000 0.282 1181 K C 1.210 177.855 176.600 0.074 0.000 1.044 1181 K CA 0.904 57.275 56.287 0.141 0.000 1.028 1181 K CB -0.047 32.524 32.500 0.119 0.000 0.919 1181 K HN 0.358 nan 8.250 nan 0.000 0.474 1182 G N 1.993 110.852 108.800 0.098 0.000 2.184 1182 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.264 1182 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.264 1182 G C 0.985 175.848 174.900 -0.062 0.000 0.975 1182 G CA 0.620 45.733 45.100 0.022 0.000 0.642 1182 G HN 0.599 nan 8.290 nan 0.000 0.536 1183 S N -0.579 115.090 115.700 -0.051 0.000 2.387 1183 S HA 0.057 4.527 4.470 -0.001 0.000 0.226 1183 S C 2.207 176.623 174.600 -0.306 0.000 1.026 1183 S CA 1.598 59.639 58.200 -0.265 0.000 0.972 1183 S CB -0.214 62.978 63.200 -0.013 0.000 0.814 1183 S HN 0.596 nan 8.310 nan 0.000 0.477 1184 M N 1.440 121.077 119.600 0.062 0.000 2.086 1184 M HA -0.132 4.347 4.480 -0.001 0.000 0.261 1184 M C 2.252 178.585 176.300 0.056 0.000 1.067 1184 M CA 1.585 57.004 55.300 0.198 0.000 1.116 1184 M CB -0.179 32.584 32.600 0.272 0.000 1.348 1184 M HN 0.154 nan 8.290 nan 0.000 0.407 1185 E N 0.592 120.794 120.200 0.004 0.000 2.118 1185 E HA -0.245 4.105 4.350 -0.001 0.000 0.195 1185 E C 1.587 178.149 176.600 -0.064 0.000 0.992 1185 E CA 1.814 58.205 56.400 -0.014 0.000 0.804 1185 E CB -0.165 29.526 29.700 -0.015 0.000 0.741 1185 E HN 0.679 nan 8.360 nan 0.000 0.458 1186 E N -0.555 119.531 120.200 -0.190 0.000 2.051 1186 E HA -0.178 4.172 4.350 -0.001 0.000 0.192 1186 E C 2.073 178.596 176.600 -0.128 0.000 0.991 1186 E CA 1.498 57.740 56.400 -0.262 0.000 0.799 1186 E CB -0.350 29.038 29.700 -0.519 0.000 0.748 1186 E HN 0.428 nan 8.360 nan 0.000 0.449 1187 W N 1.329 122.634 121.300 0.008 0.000 2.363 1187 W HA -0.181 4.479 4.660 -0.001 0.000 0.296 1187 W C 2.485 178.971 176.519 -0.055 0.000 1.212 1187 W CA 0.273 57.596 57.345 -0.037 0.000 1.260 1187 W CB -0.165 29.236 29.460 -0.098 0.000 1.131 1187 W HN 0.114 nan 8.180 nan 0.000 0.530 1188 Q N 0.457 120.346 119.800 0.147 0.000 2.061 1188 Q HA -0.198 4.142 4.340 -0.001 0.000 0.204 1188 Q C 2.518 178.557 176.000 0.064 0.000 0.984 1188 Q CA 1.853 57.700 55.803 0.072 0.000 0.846 1188 Q CB -0.677 28.087 28.738 0.043 0.000 0.902 1188 Q HN 0.326 nan 8.270 nan 0.000 0.421 1189 A N 0.523 123.373 122.820 0.049 0.000 2.019 1189 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 1189 A C 1.855 179.472 177.584 0.056 0.000 1.164 1189 A CA 1.217 53.277 52.037 0.038 0.000 0.644 1189 A CB -0.373 18.635 19.000 0.013 0.000 0.805 1189 A HN 0.318 nan 8.150 nan 0.000 0.449 1190 M N -1.314 118.341 119.600 0.091 0.000 2.561 1190 M HA 0.169 4.649 4.480 -0.001 0.000 0.238 1190 M C 1.295 177.648 176.300 0.089 0.000 1.131 1190 M CA 0.735 56.099 55.300 0.107 0.000 1.046 1190 M CB 0.206 32.919 32.600 0.187 0.000 1.532 1190 M HN 0.613 nan 8.290 nan 0.000 0.497 1191 G N 0.741 109.587 108.800 0.076 0.000 2.141 1191 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.242 1191 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.242 1191 G C 0.061 174.981 174.900 0.033 0.000 0.982 1191 G CA -0.256 44.879 45.100 0.058 0.000 0.662 1191 G HN 0.310 nan 8.290 nan 0.000 0.527 1192 V N 1.669 121.600 119.914 0.029 0.000 2.655 1192 V HA 0.231 4.350 4.120 -0.001 0.000 0.300 1192 V C 1.843 177.882 176.094 -0.093 0.000 1.044 1192 V CA 0.992 63.264 62.300 -0.047 0.000 1.095 1192 V CB 1.295 33.072 31.823 -0.078 0.000 0.952 1192 V HN 0.396 nan 8.190 nan 0.000 0.485 1193 M N 3.217 122.745 119.600 -0.118 0.000 2.287 1193 M HA 0.107 4.587 4.480 -0.001 0.000 0.266 1193 M C 0.623 176.815 176.300 -0.180 0.000 1.079 1193 M CA 1.032 56.248 55.300 -0.140 0.000 1.146 1193 M CB 0.024 32.563 32.600 -0.101 0.000 1.374 1193 M HN 0.954 nan 8.290 nan 0.000 0.435 1194 N N -1.769 116.806 118.700 -0.210 0.000 3.185 1194 N HA 0.134 4.874 4.740 -0.001 0.000 0.238 1194 N C -2.005 173.343 175.510 -0.271 0.000 1.451 1194 N CA -0.659 52.271 53.050 -0.201 0.000 0.888 1194 N CB 1.082 39.509 38.487 -0.100 0.000 1.413 1194 N HN -0.103 nan 8.380 nan 0.000 0.511 1195 Y N -0.067 120.177 120.300 -0.094 0.000 2.361 1195 Y HA 0.483 5.033 4.550 -0.001 0.000 0.332 1195 Y C 0.532 176.375 175.900 -0.094 0.000 1.101 1195 Y CA -0.053 57.978 58.100 -0.115 0.000 1.137 1195 Y CB 1.451 39.825 38.460 -0.143 0.000 1.207 1195 Y HN 0.789 nan 8.280 nan 0.000 0.463 1196 E N -0.092 120.166 120.200 0.095 0.000 2.391 1196 E HA 0.531 4.880 4.350 -0.001 0.000 0.256 1196 E C -1.003 175.617 176.600 0.033 0.000 0.975 1196 E CA -0.743 55.688 56.400 0.052 0.000 0.881 1196 E CB 1.123 30.841 29.700 0.029 0.000 1.728 1196 E HN 0.460 nan 8.360 nan 0.000 0.446 1197 M N -0.603 119.011 119.600 0.024 0.000 2.327 1197 M HA 0.337 4.817 4.480 -0.001 0.000 0.365 1197 M C -0.166 176.137 176.300 0.005 0.000 0.992 1197 M CA 0.196 55.504 55.300 0.013 0.000 0.985 1197 M CB 0.729 33.342 32.600 0.022 0.000 1.673 1197 M HN 0.492 nan 8.290 nan 0.000 0.586 1198 E N -0.588 119.614 120.200 0.003 0.000 2.500 1198 E HA 0.074 4.424 4.350 -0.001 0.000 0.217 1198 E C 1.807 178.398 176.600 -0.015 0.000 0.848 1198 E CA 0.570 56.967 56.400 -0.005 0.000 1.217 1198 E CB 0.421 30.120 29.700 -0.000 0.000 1.217 1198 E HN 0.307 nan 8.360 nan 0.000 0.573 1199 S N 0.682 116.375 115.700 -0.013 0.000 2.387 1199 S HA -0.016 4.454 4.470 -0.001 0.000 0.226 1199 S C 2.216 176.804 174.600 -0.021 0.000 1.026 1199 S CA 0.807 58.996 58.200 -0.018 0.000 0.972 1199 S CB -0.201 62.990 63.200 -0.015 0.000 0.814 1199 S HN 0.212 nan 8.310 nan 0.000 0.477 1200 A N 1.870 124.682 122.820 -0.015 0.000 1.908 1200 A HA -0.049 4.270 4.320 -0.001 0.000 0.218 1200 A C 2.422 180.006 177.584 -0.001 0.000 1.181 1200 A CA 2.184 54.221 52.037 -0.001 0.000 0.627 1200 A CB -1.675 17.330 19.000 0.007 0.000 0.818 1200 A HN 0.569 nan 8.150 nan 0.000 0.445 1201 T N -0.039 114.506 114.554 -0.015 0.000 2.701 1201 T HA -0.108 4.241 4.350 -0.001 0.000 0.263 1201 T C 1.874 176.493 174.700 -0.135 0.000 1.040 1201 T CA 1.445 63.521 62.100 -0.040 0.000 1.147 1201 T CB -0.425 68.429 68.868 -0.025 0.000 0.865 1201 T HN 0.341 nan 8.240 nan 0.000 0.426 1202 L N 1.133 122.283 121.223 -0.122 0.000 1.989 1202 L HA -0.038 4.301 4.340 -0.001 0.000 0.211 1202 L C 2.185 178.964 176.870 -0.151 0.000 1.071 1202 L CA 1.756 56.494 54.840 -0.170 0.000 0.749 1202 L CB -0.730 41.266 42.059 -0.106 0.000 0.890 1202 L HN 0.249 nan 8.230 nan 0.000 0.431 1203 L N -1.420 119.762 121.223 -0.069 0.000 2.056 1203 L HA -0.164 4.176 4.340 -0.001 0.000 0.207 1203 L C 2.347 179.218 176.870 0.000 0.000 1.078 1203 L CA 1.601 56.428 54.840 -0.021 0.000 0.749 1203 L CB -1.120 40.946 42.059 0.012 0.000 0.901 1203 L HN 0.303 nan 8.230 nan 0.000 0.433 1204 T N 0.676 115.230 114.554 -0.000 0.000 2.737 1204 T HA -0.201 4.149 4.350 -0.001 0.000 0.265 1204 T C 1.877 176.506 174.700 -0.119 0.000 1.038 1204 T CA 1.850 63.979 62.100 0.049 0.000 1.144 1204 T CB -0.238 68.686 68.868 0.092 0.000 0.866 1204 T HN 0.434 nan 8.240 nan 0.000 0.434 1205 M N 0.266 119.653 119.600 -0.355 0.000 2.213 1205 M HA -0.025 4.454 4.480 -0.001 0.000 0.263 1205 M C 2.224 178.279 176.300 -0.407 0.000 1.062 1205 M CA 1.501 56.359 55.300 -0.737 0.000 1.105 1205 M CB -1.118 30.578 32.600 -1.507 0.000 1.385 1205 M HN 0.183 nan 8.290 nan 0.000 0.417 1206 C N 1.319 120.463 119.300 -0.260 0.000 2.500 1206 C HA 0.180 4.639 4.460 -0.001 0.000 0.279 1206 C C 3.295 178.278 174.990 -0.011 0.000 1.288 1206 C CA 0.947 59.890 59.018 -0.125 0.000 1.710 1206 C CB -1.117 26.576 27.740 -0.079 0.000 2.052 1206 C HN 0.762 nan 8.230 nan 0.000 0.488 1207 A N 1.078 123.929 122.820 0.051 0.000 2.019 1207 A HA -0.139 4.181 4.320 -0.001 0.000 0.219 1207 A C 2.151 179.847 177.584 0.186 0.000 1.164 1207 A CA 2.170 54.311 52.037 0.173 0.000 0.644 1207 A CB -0.600 18.578 19.000 0.297 0.000 0.805 1207 A HN 0.718 nan 8.150 nan 0.000 0.449 1208 S N -1.980 113.719 115.700 -0.001 0.000 2.575 1208 S HA 0.152 4.622 4.470 -0.001 0.000 0.215 1208 S C 1.029 175.591 174.600 -0.063 0.000 0.966 1208 S CA 0.280 58.379 58.200 -0.169 0.000 0.911 1208 S CB 0.101 63.000 63.200 -0.501 0.000 0.780 1208 S HN 0.629 nan 8.310 nan 0.000 0.514 1209 Q N 0.112 119.901 119.800 -0.020 0.000 2.118 1209 Q HA 0.321 4.661 4.340 -0.001 0.000 0.219 1209 Q C 0.736 176.755 176.000 0.033 0.000 0.794 1209 Q CA 0.145 55.952 55.803 0.006 0.000 1.035 1209 Q CB 1.108 29.842 28.738 -0.008 0.000 1.177 1209 Q HN 0.669 nan 8.270 nan 0.000 0.478 1210 G N 1.439 110.269 108.800 0.049 0.000 2.148 1210 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.254 1210 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.254 1210 G C 0.012 174.957 174.900 0.074 0.000 0.981 1210 G CA 0.157 45.295 45.100 0.063 0.000 0.670 1210 G HN 0.249 nan 8.290 nan 0.000 0.528 1211 L N -0.056 121.216 121.223 0.081 0.000 2.343 1211 L HA 0.613 4.953 4.340 -0.001 0.000 0.275 1211 L C 1.057 178.008 176.870 0.134 0.000 1.056 1211 L CA -1.042 53.878 54.840 0.133 0.000 0.804 1211 L CB 1.050 43.218 42.059 0.182 0.000 1.203 1211 L HN 0.054 nan 8.230 nan 0.000 0.440 1212 R N 1.880 122.473 120.500 0.154 0.000 2.297 1212 R HA 0.742 5.081 4.340 -0.001 0.000 0.308 1212 R C -0.702 175.703 176.300 0.174 0.000 1.029 1212 R CA -0.464 55.713 56.100 0.128 0.000 0.929 1212 R CB 1.493 31.844 30.300 0.085 0.000 1.046 1212 R HN 0.718 nan 8.270 nan 0.000 0.461 1213 A N 1.509 124.405 122.820 0.127 0.000 2.475 1213 A HA 0.840 5.159 4.320 -0.001 0.000 0.301 1213 A C -0.732 176.895 177.584 0.073 0.000 1.059 1213 A CA -0.641 51.472 52.037 0.126 0.000 0.710 1213 A CB 2.260 21.311 19.000 0.086 0.000 1.288 1213 A HN 0.764 nan 8.150 nan 0.000 0.408 1214 G N -0.310 108.528 108.800 0.064 0.000 2.694 1214 G HA2 0.673 4.632 3.960 -0.001 0.000 0.290 1214 G HA3 0.673 4.632 3.960 -0.001 0.000 0.290 1214 G C -1.197 173.721 174.900 0.030 0.000 1.386 1214 G CA -0.443 44.676 45.100 0.032 0.000 0.872 1214 G HN 1.119 nan 8.290 nan 0.000 0.475 1215 M N 1.101 120.710 119.600 0.015 0.000 2.378 1215 M HA 0.693 5.172 4.480 -0.001 0.000 0.289 1215 M C -1.935 174.370 176.300 0.009 0.000 1.136 1215 M CA -0.837 54.472 55.300 0.015 0.000 0.917 1215 M CB 2.348 34.955 32.600 0.011 0.000 1.669 1215 M HN 0.679 nan 8.290 nan 0.000 0.461 1216 V N 3.870 123.791 119.914 0.012 0.000 2.876 1216 V HA 1.038 5.158 4.120 -0.001 0.000 0.312 1216 V C -1.609 174.494 176.094 0.015 0.000 1.085 1216 V CA -0.055 62.252 62.300 0.012 0.000 0.945 1216 V CB 2.013 33.842 31.823 0.010 0.000 1.017 1216 V HN 1.076 nan 8.190 nan 0.000 0.428 1217 A N 3.734 126.565 122.820 0.018 0.000 2.520 1217 A HA 0.884 5.204 4.320 -0.001 0.000 0.298 1217 A C -0.229 177.369 177.584 0.023 0.000 1.051 1217 A CA -0.124 51.924 52.037 0.019 0.000 0.690 1217 A CB 1.790 20.799 19.000 0.014 0.000 1.281 1217 A HN 1.605 nan 8.150 nan 0.000 0.402 1218 G N 0.271 109.086 108.800 0.024 0.000 2.356 1218 G HA2 0.523 4.483 3.960 -0.001 0.000 0.298 1218 G HA3 0.523 4.483 3.960 -0.001 0.000 0.298 1218 G C -0.485 174.426 174.900 0.017 0.000 1.145 1218 G CA -0.326 44.789 45.100 0.025 0.000 0.850 1218 G HN 0.897 nan 8.290 nan 0.000 0.487 1219 V N 4.014 123.935 119.914 0.012 0.000 2.455 1219 V HA 0.143 4.263 4.120 -0.001 0.000 0.273 1219 V C 1.380 177.476 176.094 0.003 0.000 1.045 1219 V CA -0.154 62.148 62.300 0.004 0.000 0.976 1219 V CB 0.928 32.748 31.823 -0.005 0.000 0.993 1219 V HN 0.777 nan 8.190 nan 0.000 0.475 1220 I N 3.788 124.363 120.570 0.008 0.000 3.939 1220 I HA 0.375 4.544 4.170 -0.001 0.000 0.313 1220 I C 0.404 176.527 176.117 0.010 0.000 1.274 1220 I CA 0.232 61.538 61.300 0.011 0.000 1.301 1220 I CB 0.989 38.999 38.000 0.018 0.000 1.105 1220 I HN 0.467 nan 8.210 nan 0.000 0.427 1221 V N -1.285 118.634 119.914 0.007 0.000 3.206 1221 V HA 0.616 4.736 4.120 -0.001 0.000 0.305 1221 V C -1.593 174.497 176.094 -0.008 0.000 1.257 1221 V CA -0.734 61.569 62.300 0.006 0.000 1.057 1221 V CB 1.818 33.652 31.823 0.018 0.000 1.075 1221 V HN 0.293 nan 8.190 nan 0.000 0.443 1222 N N 1.049 119.743 118.700 -0.010 0.000 2.480 1222 N HA 0.418 5.158 4.740 -0.001 0.000 0.289 1222 N C 0.688 176.193 175.510 -0.009 0.000 1.073 1222 N CA -0.631 52.405 53.050 -0.022 0.000 0.885 1222 N CB 2.387 40.852 38.487 -0.037 0.000 1.421 1222 N HN 0.741 nan 8.380 nan 0.000 0.503 1223 R N 0.676 121.175 120.500 -0.003 0.000 2.117 1223 R HA -0.098 4.242 4.340 -0.001 0.000 0.243 1223 R C 1.467 177.776 176.300 0.015 0.000 1.143 1223 R CA 1.936 58.045 56.100 0.015 0.000 0.968 1223 R CB -0.858 29.466 30.300 0.041 0.000 0.863 1223 R HN 0.724 nan 8.270 nan 0.000 0.444 1224 T N -2.577 111.978 114.554 0.002 0.000 3.081 1224 T HA 0.105 4.455 4.350 -0.001 0.000 0.250 1224 T C 0.862 175.564 174.700 0.002 0.000 1.100 1224 T CA -0.035 62.068 62.100 0.004 0.000 1.038 1224 T CB 0.428 69.294 68.868 -0.003 0.000 0.962 1224 T HN 0.144 nan 8.240 nan 0.000 0.516 1236 Q N 0.076 119.899 119.800 0.039 0.000 2.170 1236 Q HA -0.053 4.287 4.340 -0.001 0.000 0.203 1236 Q C 1.069 177.148 176.000 0.132 0.000 0.976 1236 Q CA 1.855 57.702 55.803 0.073 0.000 0.858 1236 Q CB -0.456 28.325 28.738 0.070 0.000 0.907 1236 Q HN 0.712 nan 8.270 nan 0.000 0.433 1240 H N 1.599 120.661 119.070 -0.013 0.000 2.290 1240 H HA 0.022 4.577 4.556 -0.001 0.000 0.298 1240 H C 2.441 177.761 175.328 -0.013 0.000 1.087 1240 H CA 1.964 58.005 56.048 -0.012 0.000 1.291 1240 H CB -0.392 29.365 29.762 -0.009 0.000 1.369 1240 H HN 0.591 nan 8.280 nan 0.000 0.492 1241 A N 0.536 123.427 122.820 0.118 0.000 1.908 1241 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 1241 A C 2.837 180.434 177.584 0.021 0.000 1.181 1241 A CA 1.731 53.802 52.037 0.058 0.000 0.627 1241 A CB -0.894 18.133 19.000 0.044 0.000 0.818 1241 A HN 0.224 nan 8.150 nan 0.000 0.445 1242 V N 0.337 120.256 119.914 0.008 0.000 2.343 1242 V HA -0.290 3.830 4.120 -0.001 0.000 0.247 1242 V C 2.436 178.513 176.094 -0.029 0.000 1.051 1242 V CA 2.349 64.640 62.300 -0.015 0.000 1.036 1242 V CB -0.713 31.094 31.823 -0.026 0.000 0.654 1242 V HN 0.554 nan 8.190 nan 0.000 0.451 1243 K N -0.246 120.127 120.400 -0.045 0.000 2.097 1243 K HA -0.125 4.194 4.320 -0.001 0.000 0.206 1243 K C 2.056 178.629 176.600 -0.044 0.000 1.049 1243 K CA 1.583 57.832 56.287 -0.064 0.000 0.933 1243 K CB -0.334 32.095 32.500 -0.119 0.000 0.717 1243 K HN 0.404 nan 8.250 nan 0.000 0.442 1244 I N 0.401 120.956 120.570 -0.025 0.000 2.252 1244 I HA -0.239 3.930 4.170 -0.001 0.000 0.245 1244 I C 2.372 178.480 176.117 -0.014 0.000 1.102 1244 I CA 0.803 62.095 61.300 -0.013 0.000 1.385 1244 I CB -0.173 37.833 38.000 0.010 0.000 1.064 1244 I HN -0.041 nan 8.210 nan 0.000 0.414 1245 V N 0.278 120.185 119.914 -0.011 0.000 2.515 1245 V HA -0.183 3.936 4.120 -0.001 0.000 0.250 1245 V C 2.297 178.381 176.094 -0.016 0.000 1.058 1245 V CA 1.525 63.819 62.300 -0.010 0.000 1.064 1245 V CB 0.203 32.025 31.823 -0.003 0.000 0.675 1245 V HN 0.210 nan 8.190 nan 0.000 0.461 1246 V N -0.356 119.545 119.914 -0.022 0.000 2.379 1246 V HA -0.118 4.001 4.120 -0.001 0.000 0.245 1246 V C 2.610 178.689 176.094 -0.025 0.000 1.044 1246 V CA 1.833 64.118 62.300 -0.024 0.000 1.036 1246 V CB -0.592 31.213 31.823 -0.030 0.000 0.664 1246 V HN 0.514 nan 8.190 nan 0.000 0.453 1247 E N 0.321 120.505 120.200 -0.027 0.000 2.150 1247 E HA -0.132 4.218 4.350 -0.001 0.000 0.193 1247 E C 2.321 178.905 176.600 -0.026 0.000 0.985 1247 E CA 1.375 57.758 56.400 -0.027 0.000 0.814 1247 E CB -0.373 29.309 29.700 -0.030 0.000 0.752 1247 E HN 0.561 nan 8.360 nan 0.000 0.466 1248 A N 1.406 124.211 122.820 -0.026 0.000 1.873 1248 A HA -0.073 4.246 4.320 -0.001 0.000 0.215 1248 A C 2.446 180.014 177.584 -0.027 0.000 1.186 1248 A CA 1.975 53.995 52.037 -0.028 0.000 0.616 1248 A CB -0.660 18.323 19.000 -0.027 0.000 0.823 1248 A HN 0.263 nan 8.150 nan 0.000 0.442 1249 A N -0.042 122.763 122.820 -0.024 0.000 1.917 1249 A HA -0.245 4.074 4.320 -0.001 0.000 0.219 1249 A C 2.215 179.784 177.584 -0.025 0.000 1.182 1249 A CA 1.775 53.797 52.037 -0.026 0.000 0.633 1249 A CB -0.565 18.421 19.000 -0.024 0.000 0.819 1249 A HN 0.569 nan 8.150 nan 0.000 0.448 1250 R N -0.847 119.640 120.500 -0.023 0.000 2.105 1250 R HA -0.139 4.200 4.340 -0.001 0.000 0.239 1250 R C 2.164 178.452 176.300 -0.020 0.000 1.135 1250 R CA 1.736 57.824 56.100 -0.020 0.000 0.967 1250 R CB -0.262 30.026 30.300 -0.019 0.000 0.861 1250 R HN 0.526 nan 8.270 nan 0.000 0.442 1251 R N 0.025 120.512 120.500 -0.022 0.000 2.299 1251 R HA 0.073 4.412 4.340 -0.001 0.000 0.197 1251 R C 1.430 177.718 176.300 -0.021 0.000 0.971 1251 R CA 0.502 56.589 56.100 -0.022 0.000 1.030 1251 R CB 0.230 30.514 30.300 -0.027 0.000 0.932 1251 R HN 0.187 nan 8.270 nan 0.000 0.477 1252 L N 0.313 121.523 121.223 -0.023 0.000 2.693 1252 L HA 0.237 4.577 4.340 -0.001 0.000 0.235 1252 L C 0.364 177.220 176.870 -0.022 0.000 1.127 1252 L CA -0.229 54.598 54.840 -0.022 0.000 0.914 1252 L CB 0.221 42.264 42.059 -0.026 0.000 1.193 1252 L HN 0.045 nan 8.230 nan 0.000 0.502 1253 L N 0.000 121.210 121.223 -0.022 0.000 2.949 1253 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 1253 L CA 0.000 54.827 54.840 -0.022 0.000 0.813 1253 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502