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 1rxs_1_C DATA FIRST_RESID 1004 DATA SEQUENCE SDVFHLGLTK NDLQGATLAI VPGDPDRVEK IAALMDKPVK LASHREFTTW DATA SEQUENCE RAELDGKPVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APLEFPAVAD FECTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRHFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPXXXX MKQTESHAVK 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 0.000 174.594 174.600 -0.010 0.000 1.055 1004 S CA 0.000 58.186 58.200 -0.024 0.000 1.107 1004 S CB 0.000 63.163 63.200 -0.062 0.000 0.593 1005 D N 1.616 122.015 120.400 -0.002 0.000 2.333 1005 D HA 0.148 4.788 4.640 0.001 0.000 0.208 1005 D C 0.949 177.261 176.300 0.021 0.000 0.984 1005 D CA 1.236 55.242 54.000 0.010 0.000 0.873 1005 D CB 0.488 41.295 40.800 0.011 0.000 0.935 1005 D HN 0.579 nan 8.370 nan 0.000 0.521 1006 V N -2.101 117.821 119.914 0.015 0.000 2.823 1006 V HA 0.376 4.496 4.120 0.001 0.000 0.312 1006 V C 0.791 176.900 176.094 0.025 0.000 1.072 1006 V CA -1.032 61.290 62.300 0.036 0.000 0.937 1006 V CB 1.822 33.661 31.823 0.027 0.000 1.013 1006 V HN -0.161 nan 8.190 nan 0.000 0.430 1007 F N 1.775 121.656 119.950 -0.114 0.000 2.186 1007 F HA 0.041 4.568 4.527 0.001 0.000 0.299 1007 F C 1.854 177.438 175.800 -0.359 0.000 1.090 1007 F CA 2.431 60.280 58.000 -0.250 0.000 1.307 1007 F CB -0.106 38.699 39.000 -0.326 0.000 1.019 1007 F HN 0.842 nan 8.300 nan 0.000 0.489 1008 H N -1.326 117.626 119.070 -0.197 0.000 2.460 1008 H HA 0.225 4.781 4.556 0.001 0.000 0.297 1008 H C 2.090 177.298 175.328 -0.200 0.000 1.023 1008 H CA 0.962 56.849 56.048 -0.268 0.000 1.321 1008 H CB -0.150 29.494 29.762 -0.197 0.000 1.455 1008 H HN 0.120 nan 8.280 nan 0.000 0.539 1009 L N -0.020 121.155 121.223 -0.081 0.000 2.291 1009 L HA 0.094 4.435 4.340 0.001 0.000 0.214 1009 L C 0.941 177.870 176.870 0.098 0.000 1.120 1009 L CA 0.625 55.466 54.840 0.002 0.000 0.799 1009 L CB -0.456 41.577 42.059 -0.045 0.000 0.925 1009 L HN 0.515 nan 8.230 nan 0.000 0.446 1010 G N 1.596 110.346 108.800 -0.084 0.000 2.350 1010 G HA2 -0.269 3.691 3.960 0.001 0.000 0.298 1010 G HA3 -0.269 3.691 3.960 0.001 0.000 0.298 1010 G C -0.287 174.637 174.900 0.041 0.000 1.037 1010 G CA 0.167 45.200 45.100 -0.112 0.000 1.074 1010 G HN 0.262 nan 8.290 nan 0.000 0.511 1011 L N -0.403 120.829 121.223 0.014 0.000 2.333 1011 L HA 0.874 5.214 4.340 0.001 0.000 0.263 1011 L C 0.635 177.509 176.870 0.007 0.000 1.014 1011 L CA -0.654 54.200 54.840 0.022 0.000 0.820 1011 L CB 2.541 44.618 42.059 0.030 0.000 1.352 1011 L HN 0.396 nan 8.230 nan 0.000 0.421 1012 T N -3.187 111.371 114.554 0.006 0.000 2.912 1012 T HA 0.316 4.667 4.350 0.001 0.000 0.288 1012 T C 0.573 175.276 174.700 0.004 0.000 1.030 1012 T CA -0.800 61.302 62.100 0.003 0.000 1.020 1012 T CB 2.186 71.053 68.868 -0.000 0.000 1.056 1012 T HN 0.617 nan 8.240 nan 0.000 0.480 1013 K N 1.212 121.616 120.400 0.005 0.000 2.089 1013 K HA -0.226 4.095 4.320 0.001 0.000 0.210 1013 K C 2.160 178.760 176.600 0.000 0.000 1.048 1013 K CA 1.864 58.154 56.287 0.004 0.000 0.926 1013 K CB -0.279 32.224 32.500 0.005 0.000 0.714 1013 K HN 0.636 nan 8.250 nan 0.000 0.448 1014 N N 0.703 119.403 118.700 -0.001 0.000 2.094 1014 N HA -0.185 4.556 4.740 0.001 0.000 0.191 1014 N C 1.095 176.601 175.510 -0.006 0.000 1.023 1014 N CA 1.666 54.714 53.050 -0.004 0.000 0.857 1014 N CB -0.255 38.229 38.487 -0.005 0.000 1.013 1014 N HN 0.296 nan 8.380 nan 0.000 0.426 1015 D N 0.643 121.039 120.400 -0.006 0.000 2.190 1015 D HA -0.140 4.500 4.640 0.001 0.000 0.200 1015 D C 1.791 178.086 176.300 -0.007 0.000 0.992 1015 D CA 0.630 54.623 54.000 -0.010 0.000 0.854 1015 D CB -0.065 40.730 40.800 -0.008 0.000 0.936 1015 D HN 0.226 nan 8.370 nan 0.000 0.462 1016 L N 0.449 121.670 121.223 -0.003 0.000 2.418 1016 L HA 0.014 4.354 4.340 0.001 0.000 0.218 1016 L C 0.706 177.572 176.870 -0.006 0.000 1.125 1016 L CA 0.545 55.383 54.840 -0.003 0.000 0.835 1016 L CB -0.242 41.814 42.059 -0.005 0.000 0.953 1016 L HN 0.017 nan 8.230 nan 0.000 0.454 1017 Q N -0.338 119.459 119.800 -0.006 0.000 2.434 1017 Q HA -0.293 4.048 4.340 0.001 0.000 0.299 1017 Q C 1.124 177.119 176.000 -0.008 0.000 1.286 1017 Q CA 0.508 56.307 55.803 -0.006 0.000 0.872 1017 Q CB -2.490 26.245 28.738 -0.005 0.000 1.193 1017 Q HN 0.617 nan 8.270 nan 0.000 0.466 1018 G N -1.612 107.183 108.800 -0.009 0.000 2.159 1018 G HA2 -0.258 3.702 3.960 0.001 0.000 0.256 1018 G HA3 -0.258 3.702 3.960 0.001 0.000 0.256 1018 G C 0.349 175.238 174.900 -0.019 0.000 0.977 1018 G CA 0.292 45.385 45.100 -0.012 0.000 0.652 1018 G HN 1.244 nan 8.290 nan 0.000 0.531 1019 A N 0.174 122.981 122.820 -0.022 0.000 2.531 1019 A HA 0.589 4.910 4.320 0.001 0.000 0.236 1019 A C 1.468 179.019 177.584 -0.054 0.000 1.062 1019 A CA 1.883 53.899 52.037 -0.035 0.000 0.760 1019 A CB 0.229 19.210 19.000 -0.032 0.000 0.995 1019 A HN 1.711 nan 8.150 nan 0.000 0.501 1020 T N -0.145 114.365 114.554 -0.073 0.000 3.087 1020 T HA 0.405 4.755 4.350 0.001 0.000 0.283 1020 T C 0.011 174.611 174.700 -0.167 0.000 0.956 1020 T CA 0.068 62.106 62.100 -0.102 0.000 0.894 1020 T CB -0.529 68.299 68.868 -0.067 0.000 1.160 1020 T HN 0.604 nan 8.240 nan 0.000 0.532 1021 L N 1.613 122.741 121.223 -0.157 0.000 2.386 1021 L HA 0.894 5.235 4.340 0.001 0.000 0.271 1021 L C -1.441 175.311 176.870 -0.197 0.000 0.993 1021 L CA -0.987 53.735 54.840 -0.197 0.000 0.819 1021 L CB 1.890 43.881 42.059 -0.115 0.000 1.294 1021 L HN 0.218 nan 8.230 nan 0.000 0.414 1022 A N 5.561 128.218 122.820 -0.273 0.000 2.371 1022 A HA 0.700 5.020 4.320 0.001 0.000 0.311 1022 A C -1.020 176.535 177.584 -0.048 0.000 1.068 1022 A CA -0.544 51.402 52.037 -0.151 0.000 0.744 1022 A CB 1.147 20.040 19.000 -0.179 0.000 1.239 1022 A HN 0.677 nan 8.150 nan 0.000 0.435 1023 I N 2.585 123.160 120.570 0.007 0.000 2.325 1023 I HA 0.346 4.517 4.170 0.001 0.000 0.291 1023 I C -0.151 176.011 176.117 0.075 0.000 1.019 1023 I CA -0.547 60.776 61.300 0.038 0.000 1.302 1023 I CB 1.700 39.712 38.000 0.019 0.000 1.401 1023 I HN 0.461 nan 8.210 nan 0.000 0.485 1024 V N 6.006 125.982 119.914 0.102 0.000 2.250 1024 V HA 0.509 4.630 4.120 0.001 0.000 0.268 1024 V C -2.493 173.650 176.094 0.082 0.000 1.043 1024 V CA -1.901 60.472 62.300 0.121 0.000 0.814 1024 V CB 0.304 32.237 31.823 0.184 0.000 1.072 1024 V HN 0.455 nan 8.190 nan 0.000 0.451 1025 P HA 0.307 nan 4.420 nan 0.000 0.276 1025 P C 0.976 178.301 177.300 0.041 0.000 1.261 1025 P CA 0.236 63.358 63.100 0.038 0.000 0.800 1025 P CB 1.767 33.478 31.700 0.018 0.000 1.066 1026 G N -0.386 108.428 108.800 0.023 0.000 2.426 1026 G HA2 -0.070 3.891 3.960 0.001 0.000 0.214 1026 G HA3 -0.070 3.891 3.960 0.001 0.000 0.214 1026 G C 0.252 175.150 174.900 -0.003 0.000 1.156 1026 G CA 0.452 45.560 45.100 0.014 0.000 0.802 1026 G HN 0.525 nan 8.290 nan 0.000 0.534 1027 D N 0.157 120.551 120.400 -0.009 0.000 2.274 1027 D HA 0.287 4.927 4.640 0.001 0.000 0.239 1027 D C -1.231 175.059 176.300 -0.016 0.000 1.104 1027 D CA -2.568 51.417 54.000 -0.025 0.000 0.840 1027 D CB 2.198 42.980 40.800 -0.030 0.000 1.100 1027 D HN -0.065 nan 8.370 nan 0.000 0.477 1028 P HA -0.139 nan 4.420 nan 0.000 0.216 1028 P C 0.551 177.851 177.300 -0.000 0.000 1.150 1028 P CA 0.979 64.082 63.100 0.005 0.000 0.843 1028 P CB 0.415 32.109 31.700 -0.010 0.000 0.787 1029 D N -1.082 119.305 120.400 -0.021 0.000 2.312 1029 D HA -0.089 4.552 4.640 0.001 0.000 0.211 1029 D C 1.952 178.214 176.300 -0.062 0.000 0.964 1029 D CA 0.593 54.574 54.000 -0.033 0.000 0.877 1029 D CB -0.200 40.581 40.800 -0.032 0.000 0.924 1029 D HN 0.187 nan 8.370 nan 0.000 0.515 1030 R N 0.665 121.129 120.500 -0.059 0.000 2.300 1030 R HA 0.038 4.379 4.340 0.001 0.000 0.199 1030 R C 1.870 178.102 176.300 -0.114 0.000 0.920 1030 R CA 0.034 56.088 56.100 -0.076 0.000 1.046 1030 R CB 0.319 30.591 30.300 -0.048 0.000 0.984 1030 R HN 0.010 nan 8.270 nan 0.000 0.493 1031 V N 0.897 120.741 119.914 -0.115 0.000 2.307 1031 V HA -0.237 3.884 4.120 0.001 0.000 0.245 1031 V C 2.324 178.177 176.094 -0.403 0.000 1.045 1031 V CA 2.063 64.273 62.300 -0.150 0.000 1.024 1031 V CB -0.407 31.405 31.823 -0.019 0.000 0.651 1031 V HN 0.413 nan 8.190 nan 0.000 0.449 1032 E N 0.332 120.156 120.200 -0.626 0.000 2.077 1032 E HA -0.287 4.064 4.350 0.001 0.000 0.193 1032 E C 2.213 178.428 176.600 -0.642 0.000 0.989 1032 E CA 1.513 57.244 56.400 -1.115 0.000 0.800 1032 E CB -0.055 29.077 29.700 -0.947 0.000 0.746 1032 E HN 0.567 nan 8.360 nan 0.000 0.452 1033 K N 0.277 120.460 120.400 -0.362 0.000 2.032 1033 K HA -0.150 4.171 4.320 0.001 0.000 0.209 1033 K C 2.144 178.628 176.600 -0.194 0.000 1.048 1033 K CA 1.795 57.947 56.287 -0.226 0.000 0.927 1033 K CB -0.155 32.259 32.500 -0.143 0.000 0.712 1033 K HN 0.219 nan 8.250 nan 0.000 0.441 1034 I N 0.544 121.004 120.570 -0.183 0.000 2.202 1034 I HA -0.263 3.908 4.170 0.001 0.000 0.242 1034 I C 2.422 178.464 176.117 -0.125 0.000 1.091 1034 I CA 1.128 62.355 61.300 -0.122 0.000 1.368 1034 I CB -0.377 37.572 38.000 -0.084 0.000 1.058 1034 I HN 0.160 nan 8.210 nan 0.000 0.410 1035 A N 0.803 123.510 122.820 -0.188 0.000 1.940 1035 A HA -0.201 4.120 4.320 0.001 0.000 0.219 1035 A C 2.473 179.995 177.584 -0.104 0.000 1.176 1035 A CA 1.889 53.853 52.037 -0.122 0.000 0.631 1035 A CB -0.865 18.049 19.000 -0.144 0.000 0.814 1035 A HN 0.451 nan 8.150 nan 0.000 0.446 1036 A N -1.148 121.560 122.820 -0.186 0.000 2.125 1036 A HA 0.083 4.404 4.320 0.001 0.000 0.219 1036 A C 1.670 179.217 177.584 -0.062 0.000 1.156 1036 A CA 1.244 53.211 52.037 -0.118 0.000 0.671 1036 A CB -0.331 18.577 19.000 -0.155 0.000 0.794 1036 A HN 0.368 nan 8.150 nan 0.000 0.459 1037 L N -1.134 120.053 121.223 -0.061 0.000 2.554 1037 L HA 0.232 4.572 4.340 0.001 0.000 0.226 1037 L C 1.015 177.873 176.870 -0.021 0.000 1.137 1037 L CA 0.917 55.734 54.840 -0.038 0.000 0.863 1037 L CB -0.935 41.100 42.059 -0.040 0.000 0.985 1037 L HN 0.416 nan 8.230 nan 0.000 0.451 1038 M N -1.826 117.766 119.600 -0.013 0.000 2.852 1038 M HA 0.300 4.780 4.480 0.001 0.000 0.301 1038 M C -0.443 175.867 176.300 0.017 0.000 1.229 1038 M CA -0.907 54.394 55.300 0.002 0.000 0.832 1038 M CB 1.223 33.828 32.600 0.008 0.000 1.726 1038 M HN -0.198 nan 8.290 nan 0.000 0.497 1039 D N 1.017 121.430 120.400 0.021 0.000 2.283 1039 D HA 0.189 4.829 4.640 0.001 0.000 0.248 1039 D C -0.512 175.816 176.300 0.046 0.000 1.072 1039 D CA -0.080 53.937 54.000 0.028 0.000 0.929 1039 D CB 0.747 41.558 40.800 0.019 0.000 1.182 1039 D HN 0.443 nan 8.370 nan 0.000 0.433 1040 K N -0.345 120.086 120.400 0.051 0.000 3.490 1040 K HA -0.141 4.179 4.320 0.001 0.000 0.273 1040 K C -2.335 174.326 176.600 0.103 0.000 0.916 1040 K CA 0.092 56.417 56.287 0.063 0.000 0.718 1040 K CB -1.364 31.160 32.500 0.040 0.000 1.477 1040 K HN 0.347 nan 8.250 nan 0.000 0.452 1041 P HA 0.138 nan 4.420 nan 0.000 0.276 1041 P C -0.409 177.100 177.300 0.347 0.000 1.235 1041 P CA -0.126 63.164 63.100 0.316 0.000 0.772 1041 P CB 1.321 33.219 31.700 0.330 0.000 0.871 1042 V N 3.986 124.035 119.914 0.225 0.000 2.623 1042 V HA 0.241 4.362 4.120 0.001 0.000 0.304 1042 V C 0.368 176.033 176.094 -0.715 0.000 1.054 1042 V CA -0.970 61.206 62.300 -0.208 0.000 0.882 1042 V CB 2.020 33.771 31.823 -0.120 0.000 1.002 1042 V HN 0.491 nan 8.190 nan 0.000 0.424 1043 K N 3.682 123.125 120.400 -1.596 0.000 2.447 1043 K HA 0.304 4.625 4.320 0.001 0.000 0.281 1043 K C 0.323 176.519 176.600 -0.673 0.000 1.031 1043 K CA 0.097 55.371 56.287 -1.689 0.000 1.019 1043 K CB 0.606 32.248 32.500 -1.431 0.000 0.918 1043 K HN 0.658 nan 8.250 nan 0.000 0.476 1044 L N 2.805 123.768 121.223 -0.433 0.000 2.262 1044 L HA 0.328 4.669 4.340 0.001 0.000 0.197 1044 L C 0.510 177.300 176.870 -0.133 0.000 1.073 1044 L CA 0.278 55.001 54.840 -0.196 0.000 0.800 1044 L CB 0.226 42.235 42.059 -0.084 0.000 0.987 1044 L HN 0.795 nan 8.230 nan 0.000 0.470 1045 A N -1.226 121.531 122.820 -0.105 0.000 2.601 1045 A HA 0.630 4.951 4.320 0.001 0.000 0.291 1045 A C -1.195 176.337 177.584 -0.086 0.000 1.075 1045 A CA -0.293 51.704 52.037 -0.067 0.000 0.671 1045 A CB 1.743 20.797 19.000 0.090 0.000 1.277 1045 A HN -0.143 nan 8.150 nan 0.000 0.417 1046 S N 0.604 116.129 115.700 -0.292 0.000 2.680 1046 S HA 0.633 5.104 4.470 0.001 0.000 0.262 1046 S C -1.760 172.527 174.600 -0.522 0.000 1.138 1046 S CA -0.474 57.587 58.200 -0.231 0.000 1.072 1046 S CB 0.280 63.395 63.200 -0.141 0.000 1.097 1046 S HN 0.736 nan 8.310 nan 0.000 0.468 1047 H N 3.325 122.459 119.070 0.107 0.000 2.856 1047 H HA 0.514 5.070 4.556 0.001 0.000 0.355 1047 H C 0.546 175.942 175.328 0.114 0.000 1.079 1047 H CA -0.522 55.586 56.048 0.101 0.000 1.240 1047 H CB 1.584 31.411 29.762 0.108 0.000 1.701 1047 H HN 0.750 nan 8.280 nan 0.000 0.527 1048 R N 0.533 121.111 120.500 0.131 0.000 3.772 1048 R HA -0.243 4.097 4.340 0.001 0.000 0.480 1048 R C 1.089 177.287 176.300 -0.169 0.000 0.241 1048 R CA 2.013 58.101 56.100 -0.020 0.000 1.508 1048 R CB -0.739 29.554 30.300 -0.011 0.000 0.956 1048 R HN 0.763 nan 8.270 nan 0.000 0.583 1049 E N 1.911 121.825 120.200 -0.476 0.000 2.476 1049 E HA 0.027 4.378 4.350 0.001 0.000 0.191 1049 E C -0.171 176.148 176.600 -0.469 0.000 1.064 1049 E CA 0.547 56.659 56.400 -0.479 0.000 0.866 1049 E CB 0.129 29.510 29.700 -0.532 0.000 0.952 1049 E HN 0.366 nan 8.360 nan 0.000 0.492 1050 F N 1.644 121.631 119.950 0.063 0.000 2.303 1050 F HA 0.303 4.831 4.527 0.001 0.000 0.368 1050 F C 0.244 176.093 175.800 0.083 0.000 1.105 1050 F CA -0.680 57.368 58.000 0.080 0.000 1.153 1050 F CB 1.477 40.540 39.000 0.104 0.000 1.362 1050 F HN -0.316 nan 8.300 nan 0.000 0.511 1051 T N 1.902 116.586 114.554 0.217 0.000 2.794 1051 T HA 0.432 4.783 4.350 0.001 0.000 0.280 1051 T C -0.098 174.752 174.700 0.249 0.000 0.987 1051 T CA -0.477 61.742 62.100 0.199 0.000 0.993 1051 T CB 1.206 70.180 68.868 0.177 0.000 0.939 1051 T HN 0.384 nan 8.240 nan 0.000 0.449 1052 T N 3.612 118.306 114.554 0.233 0.000 2.809 1052 T HA 0.458 4.808 4.350 0.001 0.000 0.284 1052 T C -1.083 173.761 174.700 0.239 0.000 0.992 1052 T CA -0.621 61.614 62.100 0.224 0.000 0.957 1052 T CB 0.608 69.561 68.868 0.141 0.000 0.942 1052 T HN 0.441 nan 8.240 nan 0.000 0.439 1053 W N 1.949 123.265 121.300 0.026 0.000 2.706 1053 W HA 0.657 5.317 4.660 0.001 0.000 0.346 1053 W C 0.335 176.860 176.519 0.010 0.000 1.071 1053 W CA -1.137 56.217 57.345 0.014 0.000 1.206 1053 W CB 1.153 30.619 29.460 0.009 0.000 1.413 1053 W HN 0.370 nan 8.180 nan 0.000 0.542 1054 R N 1.587 122.204 120.500 0.196 0.000 2.589 1054 R HA 0.855 5.196 4.340 0.001 0.000 0.293 1054 R C -0.557 175.835 176.300 0.153 0.000 0.963 1054 R CA -0.277 55.896 56.100 0.123 0.000 0.905 1054 R CB 1.383 31.711 30.300 0.046 0.000 1.144 1054 R HN 0.668 nan 8.270 nan 0.000 0.459 1055 A N 2.630 125.516 122.820 0.109 0.000 2.566 1055 A HA 0.541 4.861 4.320 0.001 0.000 0.291 1055 A C -1.498 176.116 177.584 0.050 0.000 1.278 1055 A CA -0.638 51.455 52.037 0.094 0.000 0.711 1055 A CB 1.683 20.740 19.000 0.096 0.000 1.332 1055 A HN 0.696 nan 8.150 nan 0.000 0.478 1056 E N -0.803 119.420 120.200 0.038 0.000 2.292 1056 E HA 0.566 4.917 4.350 0.001 0.000 0.272 1056 E C -2.322 174.285 176.600 0.012 0.000 0.881 1056 E CA -0.569 55.843 56.400 0.021 0.000 0.754 1056 E CB 2.214 31.925 29.700 0.019 0.000 1.201 1056 E HN 0.410 nan 8.360 nan 0.000 0.425 1057 L N 4.026 125.252 121.223 0.004 0.000 2.441 1057 L HA 0.316 4.656 4.340 0.001 0.000 0.270 1057 L C -1.258 175.609 176.870 -0.005 0.000 0.973 1057 L CA -0.173 54.666 54.840 -0.002 0.000 0.842 1057 L CB 1.479 43.534 42.059 -0.006 0.000 1.239 1057 L HN 0.585 nan 8.230 nan 0.000 0.406 1058 D N 4.485 124.882 120.400 -0.005 0.000 2.704 1058 D HA -0.206 4.434 4.640 0.001 0.000 0.232 1058 D C 1.191 177.489 176.300 -0.004 0.000 1.183 1058 D CA 1.484 55.480 54.000 -0.005 0.000 0.647 1058 D CB -0.922 39.874 40.800 -0.008 0.000 1.013 1058 D HN 1.169 nan 8.370 nan 0.000 0.415 1059 G N -0.588 108.211 108.800 -0.001 0.000 2.166 1059 G HA2 -0.367 3.594 3.960 0.001 0.000 0.260 1059 G HA3 -0.367 3.594 3.960 0.001 0.000 0.260 1059 G C 0.235 175.134 174.900 -0.001 0.000 0.986 1059 G CA 0.821 45.921 45.100 -0.000 0.000 0.683 1059 G HN 0.485 nan 8.290 nan 0.000 0.527 1060 K N 0.928 121.326 120.400 -0.003 0.000 2.221 1060 K HA 0.448 4.768 4.320 0.001 0.000 0.258 1060 K C -2.651 173.947 176.600 -0.004 0.000 0.944 1060 K CA -1.955 54.328 56.287 -0.006 0.000 0.823 1060 K CB 2.824 35.318 32.500 -0.010 0.000 1.113 1060 K HN 0.028 nan 8.250 nan 0.000 0.431 1061 P HA 0.151 nan 4.420 nan 0.000 0.276 1061 P C -0.626 176.670 177.300 -0.006 0.000 1.230 1061 P CA -0.318 62.782 63.100 -0.000 0.000 0.776 1061 P CB 0.939 32.638 31.700 -0.002 0.000 0.888 1062 V N 4.638 124.554 119.914 0.003 0.000 2.841 1062 V HA 0.338 4.459 4.120 0.001 0.000 0.310 1062 V C 0.071 176.175 176.094 0.016 0.000 1.090 1062 V CA -0.815 61.483 62.300 -0.004 0.000 0.930 1062 V CB 2.453 34.274 31.823 -0.004 0.000 1.014 1062 V HN 0.399 nan 8.190 nan 0.000 0.425 1063 I N 4.031 124.603 120.570 0.003 0.000 2.428 1063 I HA 0.509 4.680 4.170 0.001 0.000 0.296 1063 I C -0.231 175.918 176.117 0.054 0.000 0.985 1063 I CA -0.446 60.876 61.300 0.036 0.000 1.260 1063 I CB 1.884 39.892 38.000 0.013 0.000 1.389 1063 I HN 0.243 nan 8.210 nan 0.000 0.484 1064 V N 5.214 125.192 119.914 0.106 0.000 2.444 1064 V HA 0.424 4.544 4.120 0.001 0.000 0.294 1064 V C -0.465 175.717 176.094 0.145 0.000 1.022 1064 V CA -0.489 61.873 62.300 0.103 0.000 0.850 1064 V CB 2.051 33.919 31.823 0.076 0.000 0.992 1064 V HN 0.899 nan 8.190 nan 0.000 0.426 1065 C N 4.949 124.330 119.300 0.136 0.000 2.551 1065 C HA 0.715 5.175 4.460 0.001 0.000 0.332 1065 C C 0.415 175.509 174.990 0.173 0.000 1.139 1065 C CA -0.393 58.728 59.018 0.172 0.000 1.328 1065 C CB 1.175 29.019 27.740 0.174 0.000 1.903 1065 C HN 1.037 nan 8.230 nan 0.000 0.459 1066 S N 3.203 119.014 115.700 0.186 0.000 2.584 1066 S HA 0.412 4.883 4.470 0.001 0.000 0.273 1066 S C 0.900 175.637 174.600 0.227 0.000 1.311 1066 S CA 0.355 58.645 58.200 0.151 0.000 1.034 1066 S CB 1.404 64.656 63.200 0.087 0.000 0.939 1066 S HN 1.034 nan 8.310 nan 0.000 0.513 1067 T N -0.911 113.737 114.554 0.157 0.000 3.037 1067 T HA 0.506 4.856 4.350 0.001 0.000 0.251 1067 T C 1.228 175.972 174.700 0.073 0.000 1.079 1067 T CA 0.283 62.502 62.100 0.198 0.000 1.067 1067 T CB -0.986 67.956 68.868 0.123 0.000 0.948 1067 T HN 1.898 nan 8.240 nan 0.000 0.496 1068 G N 1.528 110.303 108.800 -0.040 0.000 2.796 1068 G HA2 -0.139 3.822 3.960 0.001 0.000 0.226 1068 G HA3 -0.139 3.822 3.960 0.001 0.000 0.226 1068 G C -0.563 174.311 174.900 -0.044 0.000 1.381 1068 G CA -0.467 44.569 45.100 -0.108 0.000 0.867 1068 G HN 0.643 nan 8.290 nan 0.000 0.552 1069 I N 2.135 122.673 120.570 -0.054 0.000 2.395 1069 I HA 0.525 4.696 4.170 0.001 0.000 0.289 1069 I C 1.100 177.209 176.117 -0.013 0.000 1.023 1069 I CA 1.011 62.294 61.300 -0.028 0.000 1.350 1069 I CB 0.638 38.614 38.000 -0.040 0.000 1.409 1069 I HN 1.988 nan 8.210 nan 0.000 0.507 1070 G N 3.897 112.698 108.800 0.003 0.000 2.663 1070 G HA2 -0.089 3.872 3.960 0.001 0.000 0.686 1070 G HA3 -0.089 3.872 3.960 0.001 0.000 0.686 1070 G C 0.544 175.451 174.900 0.012 0.000 1.246 1070 G CA -0.482 44.623 45.100 0.007 0.000 0.795 1070 G HN 0.929 nan 8.290 nan 0.000 0.627 1071 G N 0.612 109.417 108.800 0.009 0.000 2.476 1071 G HA2 -0.001 3.959 3.960 0.001 0.000 0.218 1071 G HA3 -0.001 3.959 3.960 0.001 0.000 0.218 1071 G C 0.166 175.076 174.900 0.016 0.000 1.164 1071 G CA 2.261 47.367 45.100 0.010 0.000 0.768 1071 G HN 0.714 nan 8.290 nan 0.000 0.560 1072 P HA -0.114 nan 4.420 nan 0.000 0.214 1072 P C 2.472 179.800 177.300 0.048 0.000 1.163 1072 P CA 2.446 65.548 63.100 0.004 0.000 0.883 1072 P CB -0.253 31.440 31.700 -0.011 0.000 0.788 1073 S N -2.035 113.707 115.700 0.069 0.000 2.387 1073 S HA -0.111 4.360 4.470 0.001 0.000 0.226 1073 S C 1.965 176.697 174.600 0.220 0.000 1.026 1073 S CA 1.717 60.022 58.200 0.174 0.000 0.972 1073 S CB -1.991 61.263 63.200 0.090 0.000 0.814 1073 S HN 0.068 nan 8.310 nan 0.000 0.477 1074 T N 3.081 117.704 114.554 0.115 0.000 2.699 1074 T HA -0.137 4.213 4.350 0.001 0.000 0.268 1074 T C 2.286 176.994 174.700 0.014 0.000 1.036 1074 T CA 1.977 64.120 62.100 0.071 0.000 1.147 1074 T CB -0.790 68.087 68.868 0.015 0.000 0.862 1074 T HN 0.803 nan 8.240 nan 0.000 0.446 1075 S N 0.947 116.661 115.700 0.023 0.000 2.423 1075 S HA -0.002 4.469 4.470 0.001 0.000 0.231 1075 S C 2.049 176.660 174.600 0.018 0.000 1.014 1075 S CA 0.662 58.880 58.200 0.029 0.000 0.965 1075 S CB -0.688 62.626 63.200 0.189 0.000 0.785 1075 S HN 0.526 nan 8.310 nan 0.000 0.495 1076 I N 1.865 122.431 120.570 -0.006 0.000 2.233 1076 I HA -0.046 4.125 4.170 0.001 0.000 0.243 1076 I C 3.103 179.102 176.117 -0.197 0.000 1.093 1076 I CA 1.025 62.257 61.300 -0.114 0.000 1.380 1076 I CB -0.680 37.162 38.000 -0.263 0.000 1.067 1076 I HN 0.428 nan 8.210 nan 0.000 0.413 1077 A N 0.514 123.212 122.820 -0.203 0.000 1.902 1077 A HA -0.141 4.180 4.320 0.001 0.000 0.217 1077 A C 2.421 179.981 177.584 -0.040 0.000 1.181 1077 A CA 1.678 53.612 52.037 -0.173 0.000 0.623 1077 A CB -0.916 18.106 19.000 0.037 0.000 0.818 1077 A HN 0.232 nan 8.150 nan 0.000 0.443 1078 V N 0.139 119.993 119.914 -0.100 0.000 2.270 1078 V HA -0.239 3.881 4.120 0.001 0.000 0.245 1078 V C 2.625 178.655 176.094 -0.108 0.000 1.043 1078 V CA 2.418 64.561 62.300 -0.262 0.000 1.014 1078 V CB -0.774 30.675 31.823 -0.623 0.000 0.645 1078 V HN 0.748 nan 8.190 nan 0.000 0.447 1079 E N 0.986 121.139 120.200 -0.079 0.000 2.049 1079 E HA -0.271 4.079 4.350 0.001 0.000 0.198 1079 E C 2.066 178.696 176.600 0.049 0.000 1.007 1079 E CA 2.226 58.631 56.400 0.008 0.000 0.809 1079 E CB -0.323 29.413 29.700 0.061 0.000 0.749 1079 E HN 0.692 nan 8.360 nan 0.000 0.450 1080 E N -0.259 119.960 120.200 0.030 0.000 2.107 1080 E HA -0.078 4.273 4.350 0.001 0.000 0.191 1080 E C 2.323 178.963 176.600 0.065 0.000 0.982 1080 E CA 0.834 57.257 56.400 0.039 0.000 0.809 1080 E CB -0.127 29.574 29.700 0.002 0.000 0.756 1080 E HN 0.292 nan 8.360 nan 0.000 0.459 1081 L N 0.753 122.041 121.223 0.109 0.000 2.042 1081 L HA -0.204 4.136 4.340 0.001 0.000 0.210 1081 L C 2.591 179.564 176.870 0.172 0.000 1.076 1081 L CA 1.098 56.035 54.840 0.161 0.000 0.749 1081 L CB -0.456 41.774 42.059 0.285 0.000 0.893 1081 L HN 0.152 nan 8.230 nan 0.000 0.432 1082 A N -0.710 122.261 122.820 0.251 0.000 1.933 1082 A HA -0.244 4.076 4.320 0.001 0.000 0.218 1082 A C 2.206 179.854 177.584 0.107 0.000 1.175 1082 A CA 1.445 53.610 52.037 0.213 0.000 0.628 1082 A CB -0.436 18.685 19.000 0.201 0.000 0.814 1082 A HN 0.478 nan 8.150 nan 0.000 0.444 1083 Q N -0.730 119.121 119.800 0.086 0.000 2.170 1083 Q HA -0.047 4.293 4.340 0.001 0.000 0.203 1083 Q C 1.503 177.530 176.000 0.045 0.000 0.976 1083 Q CA 1.162 57.000 55.803 0.058 0.000 0.858 1083 Q CB -0.220 28.549 28.738 0.053 0.000 0.907 1083 Q HN 0.686 nan 8.270 nan 0.000 0.433 1084 L N -1.490 119.760 121.223 0.045 0.000 2.592 1084 L HA 0.178 4.519 4.340 0.001 0.000 0.227 1084 L C 1.142 178.021 176.870 0.015 0.000 1.127 1084 L CA 0.465 55.321 54.840 0.027 0.000 0.884 1084 L CB 0.413 42.487 42.059 0.024 0.000 1.065 1084 L HN 0.374 nan 8.230 nan 0.000 0.457 1085 G N -0.473 108.338 108.800 0.019 0.000 2.229 1085 G HA2 -0.176 3.784 3.960 0.001 0.000 0.189 1085 G HA3 -0.176 3.784 3.960 0.001 0.000 0.189 1085 G C 0.257 175.138 174.900 -0.031 0.000 1.000 1085 G CA -0.705 44.396 45.100 0.001 0.000 0.663 1085 G HN 0.045 nan 8.290 nan 0.000 0.493 1086 I N 1.183 121.718 120.570 -0.058 0.000 2.648 1086 I HA 0.272 4.442 4.170 0.001 0.000 0.284 1086 I C 1.319 177.333 176.117 -0.171 0.000 1.153 1086 I CA 0.438 61.613 61.300 -0.209 0.000 1.426 1086 I CB 0.849 38.599 38.000 -0.417 0.000 1.381 1086 I HN 0.119 nan 8.210 nan 0.000 0.571 1087 R N 2.840 123.215 120.500 -0.208 0.000 2.521 1087 R HA 0.208 4.548 4.340 0.001 0.000 0.289 1087 R C -0.297 175.964 176.300 -0.066 0.000 0.936 1087 R CA 0.136 56.202 56.100 -0.058 0.000 1.089 1087 R CB 0.730 31.020 30.300 -0.016 0.000 1.348 1087 R HN 0.551 nan 8.270 nan 0.000 0.536 1088 T N 1.015 115.405 114.554 -0.274 0.000 2.921 1088 T HA 0.579 4.929 4.350 0.001 0.000 0.297 1088 T C -1.180 173.309 174.700 -0.352 0.000 1.013 1088 T CA -0.281 61.728 62.100 -0.152 0.000 0.990 1088 T CB 1.356 70.167 68.868 -0.094 0.000 1.023 1088 T HN -0.141 nan 8.240 nan 0.000 0.447 1089 F N 2.726 122.673 119.950 -0.004 0.000 2.507 1089 F HA 0.573 5.101 4.527 0.001 0.000 0.328 1089 F C -0.328 175.469 175.800 -0.004 0.000 1.136 1089 F CA -0.994 57.004 58.000 -0.004 0.000 0.930 1089 F CB 1.404 40.398 39.000 -0.011 0.000 1.166 1089 F HN 0.189 nan 8.300 nan 0.000 0.436 1090 L N 4.135 125.440 121.223 0.137 0.000 2.319 1090 L HA 0.542 4.882 4.340 0.001 0.000 0.281 1090 L C -0.175 176.746 176.870 0.085 0.000 1.005 1090 L CA -0.764 54.126 54.840 0.084 0.000 0.828 1090 L CB 1.819 43.898 42.059 0.033 0.000 1.227 1090 L HN 0.565 nan 8.230 nan 0.000 0.415 1091 R N 3.300 123.844 120.500 0.074 0.000 2.308 1091 R HA 0.552 4.893 4.340 0.001 0.000 0.305 1091 R C -0.954 175.369 176.300 0.038 0.000 1.053 1091 R CA -0.410 55.725 56.100 0.059 0.000 0.957 1091 R CB 1.151 31.479 30.300 0.047 0.000 1.022 1091 R HN 0.531 nan 8.270 nan 0.000 0.461 1092 I N 3.850 124.440 120.570 0.034 0.000 2.418 1092 I HA 0.668 4.838 4.170 0.001 0.000 0.287 1092 I C -0.725 175.405 176.117 0.021 0.000 1.008 1092 I CA -0.162 61.152 61.300 0.023 0.000 1.104 1092 I CB 1.739 39.749 38.000 0.017 0.000 1.264 1092 I HN 0.739 nan 8.210 nan 0.000 0.438 1093 G N 4.063 112.875 108.800 0.020 0.000 2.798 1093 G HA2 0.696 4.657 3.960 0.001 0.000 0.286 1093 G HA3 0.696 4.657 3.960 0.001 0.000 0.286 1093 G C -1.062 173.849 174.900 0.018 0.000 1.389 1093 G CA -0.316 44.795 45.100 0.019 0.000 0.894 1093 G HN 0.668 nan 8.290 nan 0.000 0.488 1094 T N -2.737 111.828 114.554 0.020 0.000 2.925 1094 T HA 0.763 5.114 4.350 0.001 0.000 0.285 1094 T C -0.246 174.471 174.700 0.029 0.000 1.021 1094 T CA -0.495 61.618 62.100 0.022 0.000 1.042 1094 T CB 2.060 70.940 68.868 0.020 0.000 1.037 1094 T HN 0.971 nan 8.240 nan 0.000 0.481 1095 T N -0.409 114.161 114.554 0.026 0.000 2.802 1095 T HA 0.668 5.018 4.350 0.001 0.000 0.311 1095 T C -0.858 173.853 174.700 0.018 0.000 1.405 1095 T CA -0.380 61.736 62.100 0.027 0.000 1.016 1095 T CB 1.332 70.210 68.868 0.016 0.000 1.352 1095 T HN 1.204 nan 8.240 nan 0.000 0.498 1096 G N 1.280 110.091 108.800 0.018 0.000 2.487 1096 G HA2 0.674 4.635 3.960 0.001 0.000 0.314 1096 G HA3 0.674 4.635 3.960 0.001 0.000 0.314 1096 G C -0.041 174.857 174.900 -0.004 0.000 1.267 1096 G CA -0.143 44.961 45.100 0.006 0.000 0.937 1096 G HN 0.984 nan 8.290 nan 0.000 0.481 1097 A N 2.099 124.895 122.820 -0.040 0.000 2.386 1097 A HA 0.537 4.858 4.320 0.001 0.000 0.248 1097 A C 1.117 178.659 177.584 -0.069 0.000 1.082 1097 A CA -0.272 51.713 52.037 -0.087 0.000 0.789 1097 A CB 0.194 19.109 19.000 -0.140 0.000 1.025 1097 A HN 1.312 nan 8.150 nan 0.000 0.490 1098 I N -2.375 118.136 120.570 -0.099 0.000 4.147 1098 I HA 0.253 4.423 4.170 0.001 0.000 0.329 1098 I C -0.283 175.792 176.117 -0.070 0.000 1.424 1098 I CA -0.317 60.947 61.300 -0.060 0.000 1.127 1098 I CB 0.207 38.167 38.000 -0.067 0.000 1.128 1098 I HN 0.317 nan 8.210 nan 0.000 0.417 1099 Q N 2.971 122.685 119.800 -0.143 0.000 2.293 1099 Q HA 0.385 4.725 4.340 0.001 0.000 0.261 1099 Q C -1.859 174.032 176.000 -0.182 0.000 0.960 1099 Q CA -2.083 53.628 55.803 -0.154 0.000 0.882 1099 Q CB 2.009 30.570 28.738 -0.295 0.000 1.275 1099 Q HN 0.054 nan 8.270 nan 0.000 0.445 1100 P HA -0.158 nan 4.420 nan 0.000 0.225 1100 P C 0.763 178.053 177.300 -0.017 0.000 1.148 1100 P CA 1.358 64.445 63.100 -0.020 0.000 0.779 1100 P CB 0.145 31.866 31.700 0.035 0.000 0.780 1101 H N -1.233 117.808 119.070 -0.048 0.000 2.551 1101 H HA 0.205 4.762 4.556 0.001 0.000 0.266 1101 H C 0.650 175.937 175.328 -0.070 0.000 0.964 1101 H CA -0.233 55.795 56.048 -0.034 0.000 1.180 1101 H CB -0.547 29.209 29.762 -0.010 0.000 1.408 1101 H HN 0.122 nan 8.280 nan 0.000 0.563 1102 I N 2.824 123.049 120.570 -0.576 0.000 2.342 1102 I HA 0.100 4.271 4.170 0.001 0.000 0.291 1102 I C -0.353 175.656 176.117 -0.180 0.000 1.010 1102 I CA -0.278 60.729 61.300 -0.488 0.000 1.308 1102 I CB 0.900 38.496 38.000 -0.673 0.000 1.400 1102 I HN 0.138 nan 8.210 nan 0.000 0.488 1103 N N 4.173 122.845 118.700 -0.047 0.000 2.472 1103 N HA 0.382 5.123 4.740 0.001 0.000 0.289 1103 N C -0.870 174.634 175.510 -0.009 0.000 1.156 1103 N CA -0.865 52.176 53.050 -0.015 0.000 0.940 1103 N CB 1.819 40.317 38.487 0.018 0.000 1.200 1103 N HN 0.220 nan 8.380 nan 0.000 0.511 1104 V N 1.357 121.262 119.914 -0.015 0.000 2.509 1104 V HA 0.199 4.319 4.120 0.001 0.000 0.297 1104 V C 1.426 177.509 176.094 -0.018 0.000 1.014 1104 V CA 1.311 63.602 62.300 -0.015 0.000 1.127 1104 V CB -0.287 31.527 31.823 -0.016 0.000 0.925 1104 V HN 1.114 nan 8.190 nan 0.000 0.480 1105 G N 3.595 112.382 108.800 -0.023 0.000 2.253 1105 G HA2 -0.164 3.797 3.960 0.001 0.000 0.209 1105 G HA3 -0.164 3.797 3.960 0.001 0.000 0.209 1105 G C -0.092 174.803 174.900 -0.009 0.000 0.997 1105 G CA -0.066 45.005 45.100 -0.050 0.000 0.640 1105 G HN 0.661 nan 8.290 nan 0.000 0.496 1106 D N 0.040 120.464 120.400 0.040 0.000 2.358 1106 D HA 0.552 5.192 4.640 0.001 0.000 0.244 1106 D C 0.347 176.706 176.300 0.099 0.000 1.163 1106 D CA 0.019 54.079 54.000 0.101 0.000 0.945 1106 D CB 1.767 42.688 40.800 0.202 0.000 1.152 1106 D HN 0.201 nan 8.370 nan 0.000 0.451 1107 V N 1.517 121.499 119.914 0.113 0.000 2.495 1107 V HA 0.365 4.486 4.120 0.001 0.000 0.298 1107 V C -0.269 175.885 176.094 0.100 0.000 1.031 1107 V CA -0.737 61.616 62.300 0.088 0.000 0.871 1107 V CB 1.434 33.300 31.823 0.072 0.000 0.988 1107 V HN 0.277 nan 8.190 nan 0.000 0.432 1108 L N 5.283 126.552 121.223 0.077 0.000 2.313 1108 L HA 0.636 4.976 4.340 0.001 0.000 0.283 1108 L C -0.671 176.225 176.870 0.043 0.000 1.013 1108 L CA -0.805 54.079 54.840 0.074 0.000 0.816 1108 L CB 1.884 43.971 42.059 0.047 0.000 1.236 1108 L HN 0.313 nan 8.230 nan 0.000 0.419 1109 V N 1.956 121.895 119.914 0.041 0.000 2.370 1109 V HA 0.285 4.406 4.120 0.001 0.000 0.283 1109 V C 0.326 176.434 176.094 0.022 0.000 1.023 1109 V CA -0.363 61.950 62.300 0.022 0.000 0.857 1109 V CB 1.658 33.486 31.823 0.008 0.000 0.985 1109 V HN 0.733 nan 8.190 nan 0.000 0.443 1110 T N 3.613 118.176 114.554 0.014 0.000 2.771 1110 T HA 0.203 4.554 4.350 0.001 0.000 0.291 1110 T C 1.343 176.052 174.700 0.015 0.000 0.954 1110 T CA 0.205 62.310 62.100 0.009 0.000 1.045 1110 T CB 1.248 70.117 68.868 0.001 0.000 0.917 1110 T HN 0.968 nan 8.240 nan 0.000 0.484 1111 T N 0.816 115.381 114.554 0.019 0.000 2.937 1111 T HA 0.470 4.820 4.350 0.001 0.000 0.260 1111 T C 0.726 175.441 174.700 0.025 0.000 1.051 1111 T CA 0.285 62.404 62.100 0.031 0.000 1.141 1111 T CB 0.166 69.058 68.868 0.040 0.000 0.879 1111 T HN 0.745 nan 8.240 nan 0.000 0.459 1112 A N -0.055 122.771 122.820 0.009 0.000 2.601 1112 A HA 0.683 5.004 4.320 0.001 0.000 0.291 1112 A C -1.075 176.497 177.584 -0.021 0.000 1.075 1112 A CA -0.839 51.199 52.037 0.002 0.000 0.671 1112 A CB 1.273 20.272 19.000 -0.002 0.000 1.277 1112 A HN 0.194 nan 8.150 nan 0.000 0.417 1113 S N -0.221 115.465 115.700 -0.024 0.000 2.513 1113 S HA 0.571 5.041 4.470 0.001 0.000 0.299 1113 S C -0.356 174.195 174.600 -0.081 0.000 1.087 1113 S CA -0.541 57.624 58.200 -0.058 0.000 1.012 1113 S CB 1.657 64.833 63.200 -0.040 0.000 1.044 1113 S HN 0.937 nan 8.310 nan 0.000 0.485 1114 V N 3.525 123.337 119.914 -0.171 0.000 2.485 1114 V HA 0.121 4.242 4.120 0.001 0.000 0.287 1114 V C 0.699 176.706 176.094 -0.145 0.000 1.022 1114 V CA 0.137 62.295 62.300 -0.237 0.000 1.067 1114 V CB -0.419 31.063 31.823 -0.568 0.000 0.967 1114 V HN 0.695 nan 8.190 nan 0.000 0.479 1115 R N 5.301 125.774 120.500 -0.046 0.000 2.893 1115 R HA 0.281 4.621 4.340 0.001 0.000 0.243 1115 R C 0.105 176.446 176.300 0.069 0.000 1.481 1115 R CA -0.099 56.017 56.100 0.027 0.000 1.250 1115 R CB -0.018 30.325 30.300 0.072 0.000 1.213 1115 R HN 0.681 nan 8.270 nan 0.000 0.609 1116 L N 2.188 123.454 121.223 0.072 0.000 2.912 1116 L HA 0.135 4.475 4.340 0.001 0.000 0.240 1116 L C 0.286 177.254 176.870 0.163 0.000 1.262 1116 L CA -0.240 54.712 54.840 0.188 0.000 1.058 1116 L CB -0.643 41.565 42.059 0.249 0.000 1.383 1116 L HN 0.509 nan 8.230 nan 0.000 0.512 1117 D N -1.347 119.122 120.400 0.115 0.000 2.497 1117 D HA 0.294 4.935 4.640 0.001 0.000 0.243 1117 D C 0.719 177.071 176.300 0.087 0.000 1.039 1117 D CA -0.389 53.661 54.000 0.084 0.000 1.052 1117 D CB 1.997 42.830 40.800 0.055 0.000 1.344 1117 D HN -0.068 nan 8.370 nan 0.000 0.553 1118 G N -0.931 107.899 108.800 0.050 0.000 2.673 1118 G HA2 0.208 4.169 3.960 0.001 0.000 0.208 1118 G HA3 0.208 4.169 3.960 0.001 0.000 0.208 1118 G C 1.303 176.186 174.900 -0.030 0.000 1.128 1118 G CA 0.623 45.748 45.100 0.042 0.000 0.805 1118 G HN 0.614 nan 8.290 nan 0.000 0.526 1119 A N 1.779 124.541 122.820 -0.097 0.000 1.930 1119 A HA -0.013 4.308 4.320 0.001 0.000 0.217 1119 A C 2.690 180.344 177.584 0.117 0.000 1.175 1119 A CA 2.404 54.339 52.037 -0.169 0.000 0.627 1119 A CB -0.719 18.254 19.000 -0.045 0.000 0.815 1119 A HN 0.694 nan 8.150 nan 0.000 0.443 1120 S N 0.319 116.122 115.700 0.171 0.000 2.400 1120 S HA -0.124 4.347 4.470 0.001 0.000 0.232 1120 S C 1.706 176.455 174.600 0.248 0.000 1.025 1120 S CA 1.501 59.851 58.200 0.251 0.000 0.993 1120 S CB -0.786 62.505 63.200 0.152 0.000 0.808 1120 S HN 0.450 nan 8.310 nan 0.000 0.478 1121 L N 0.797 122.144 121.223 0.206 0.000 2.362 1121 L HA -0.010 4.330 4.340 0.001 0.000 0.219 1121 L C 2.347 179.300 176.870 0.137 0.000 1.134 1121 L CA 1.069 56.013 54.840 0.173 0.000 0.807 1121 L CB -0.749 41.412 42.059 0.169 0.000 0.927 1121 L HN 0.495 nan 8.230 nan 0.000 0.447 1122 H N -1.726 117.275 119.070 -0.115 0.000 2.551 1122 H HA 0.014 4.571 4.556 0.001 0.000 0.266 1122 H C 1.259 176.211 175.328 -0.626 0.000 0.977 1122 H CA 0.617 56.440 56.048 -0.374 0.000 1.163 1122 H CB 0.404 29.872 29.762 -0.490 0.000 1.381 1122 H HN 0.355 nan 8.280 nan 0.000 0.581 1123 F N -0.369 119.598 119.950 0.028 0.000 2.640 1123 F HA 0.426 4.954 4.527 0.001 0.000 0.285 1123 F C 0.851 176.553 175.800 -0.164 0.000 1.031 1123 F CA -0.012 57.944 58.000 -0.073 0.000 1.240 1123 F CB 0.953 39.894 39.000 -0.098 0.000 1.011 1123 F HN -0.053 nan 8.300 nan 0.000 0.656 1124 A N 0.534 123.365 122.820 0.019 0.000 2.574 1124 A HA 0.650 4.970 4.320 0.001 0.000 0.297 1124 A C -2.767 174.835 177.584 0.029 0.000 1.062 1124 A CA -1.481 50.492 52.037 -0.106 0.000 0.686 1124 A CB 0.750 19.481 19.000 -0.449 0.000 1.285 1124 A HN -0.170 nan 8.150 nan 0.000 0.403 1125 P HA 0.105 nan 4.420 nan 0.000 0.271 1125 P C 0.834 178.218 177.300 0.140 0.000 1.244 1125 P CA -0.328 62.824 63.100 0.086 0.000 0.793 1125 P CB 0.642 32.388 31.700 0.077 0.000 0.984 1126 L N 1.238 122.532 121.223 0.117 0.000 2.127 1126 L HA -0.185 4.155 4.340 0.001 0.000 0.211 1126 L C 2.262 179.216 176.870 0.140 0.000 1.089 1126 L CA 1.866 56.781 54.840 0.126 0.000 0.757 1126 L CB -1.443 40.676 42.059 0.099 0.000 0.899 1126 L HN 0.458 nan 8.230 nan 0.000 0.434 1127 E N -1.097 119.181 120.200 0.131 0.000 2.338 1127 E HA -0.254 4.096 4.350 0.001 0.000 0.197 1127 E C 0.788 177.463 176.600 0.126 0.000 1.007 1127 E CA 0.145 56.610 56.400 0.108 0.000 0.849 1127 E CB -0.779 28.973 29.700 0.086 0.000 0.774 1127 E HN 0.432 nan 8.360 nan 0.000 0.506 1128 F N 4.129 124.103 119.950 0.040 0.000 2.456 1128 F HA 0.215 4.742 4.527 0.001 0.000 0.358 1128 F C -2.021 173.800 175.800 0.035 0.000 1.095 1128 F CA -2.635 55.388 58.000 0.039 0.000 1.216 1128 F CB 0.744 39.772 39.000 0.048 0.000 1.125 1128 F HN -0.173 nan 8.300 nan 0.000 0.549 1129 P HA 0.122 nan 4.420 nan 0.000 0.276 1129 P C -1.135 176.206 177.300 0.068 0.000 1.235 1129 P CA -0.334 62.690 63.100 -0.125 0.000 0.772 1129 P CB 1.187 32.739 31.700 -0.245 0.000 0.871 1130 A N 4.137 127.023 122.820 0.111 0.000 3.048 1130 A HA 0.225 4.546 4.320 0.001 0.000 0.264 1130 A C 0.311 177.936 177.584 0.067 0.000 1.796 1130 A CA -0.278 51.834 52.037 0.124 0.000 1.445 1130 A CB -0.994 18.054 19.000 0.080 0.000 1.074 1130 A HN 0.472 nan 8.150 nan 0.000 0.621 1131 V N 1.951 121.907 119.914 0.070 0.000 2.481 1131 V HA 0.662 4.783 4.120 0.001 0.000 0.286 1131 V C 0.663 176.795 176.094 0.062 0.000 1.042 1131 V CA -0.214 62.110 62.300 0.040 0.000 0.928 1131 V CB 1.255 33.077 31.823 -0.002 0.000 0.986 1131 V HN 0.900 nan 8.190 nan 0.000 0.462 1132 A N 4.379 127.231 122.820 0.054 0.000 2.386 1132 A HA 0.346 4.666 4.320 0.001 0.000 0.248 1132 A C 0.149 177.783 177.584 0.083 0.000 1.082 1132 A CA -0.171 51.901 52.037 0.059 0.000 0.789 1132 A CB 0.081 19.107 19.000 0.043 0.000 1.025 1132 A HN 1.041 nan 8.150 nan 0.000 0.490 1133 D N 0.295 120.745 120.400 0.084 0.000 2.455 1133 D HA 0.043 4.684 4.640 0.001 0.000 0.241 1133 D C 0.717 177.088 176.300 0.119 0.000 1.138 1133 D CA 0.235 54.299 54.000 0.106 0.000 0.877 1133 D CB 0.114 40.967 40.800 0.087 0.000 1.187 1133 D HN 0.422 nan 8.370 nan 0.000 0.451 1134 F N 2.836 122.797 119.950 0.018 0.000 2.134 1134 F HA -0.113 4.414 4.527 0.001 0.000 0.299 1134 F C 1.872 177.680 175.800 0.012 0.000 1.097 1134 F CA 1.353 59.360 58.000 0.012 0.000 1.264 1134 F CB 0.136 39.141 39.000 0.008 0.000 1.001 1134 F HN 0.532 nan 8.300 nan 0.000 0.479 1135 E N -0.441 119.717 120.200 -0.069 0.000 2.072 1135 E HA -0.227 4.124 4.350 0.001 0.000 0.191 1135 E C 2.324 178.831 176.600 -0.156 0.000 0.985 1135 E CA 1.560 57.866 56.400 -0.156 0.000 0.801 1135 E CB -0.457 29.237 29.700 -0.010 0.000 0.750 1135 E HN 0.453 nan 8.360 nan 0.000 0.452 1136 C N 0.464 119.720 119.300 -0.074 0.000 2.413 1136 C HA -0.127 4.334 4.460 0.001 0.000 0.276 1136 C C 2.859 177.797 174.990 -0.088 0.000 1.248 1136 C CA 1.197 60.183 59.018 -0.054 0.000 1.742 1136 C CB -1.015 26.724 27.740 -0.002 0.000 2.017 1136 C HN 0.514 nan 8.230 nan 0.000 0.481 1137 T N 0.568 115.054 114.554 -0.112 0.000 2.708 1137 T HA -0.164 4.187 4.350 0.001 0.000 0.266 1137 T C 1.807 176.397 174.700 -0.183 0.000 1.037 1137 T CA 2.161 64.191 62.100 -0.116 0.000 1.146 1137 T CB -0.558 68.260 68.868 -0.083 0.000 0.865 1137 T HN 0.599 nan 8.240 nan 0.000 0.435 1138 T N 2.138 116.488 114.554 -0.340 0.000 2.652 1138 T HA -0.111 4.239 4.350 0.001 0.000 0.267 1138 T C 2.399 176.986 174.700 -0.188 0.000 1.039 1138 T CA 1.379 63.272 62.100 -0.344 0.000 1.153 1138 T CB -0.672 67.868 68.868 -0.547 0.000 0.863 1138 T HN 0.446 nan 8.240 nan 0.000 0.428 1139 A N 0.965 123.692 122.820 -0.155 0.000 1.908 1139 A HA -0.022 4.298 4.320 0.001 0.000 0.218 1139 A C 2.340 179.879 177.584 -0.076 0.000 1.181 1139 A CA 1.309 53.288 52.037 -0.097 0.000 0.627 1139 A CB -0.877 18.077 19.000 -0.076 0.000 0.818 1139 A HN 0.483 nan 8.150 nan 0.000 0.445 1140 L N -0.752 120.428 121.223 -0.073 0.000 2.056 1140 L HA -0.150 4.190 4.340 0.001 0.000 0.207 1140 L C 2.525 179.364 176.870 -0.052 0.000 1.078 1140 L CA 1.082 55.892 54.840 -0.051 0.000 0.749 1140 L CB -0.466 41.570 42.059 -0.038 0.000 0.901 1140 L HN 0.252 nan 8.230 nan 0.000 0.433 1141 V N -0.344 119.531 119.914 -0.065 0.000 2.427 1141 V HA -0.242 3.879 4.120 0.001 0.000 0.248 1141 V C 2.308 178.368 176.094 -0.055 0.000 1.051 1141 V CA 1.663 63.929 62.300 -0.056 0.000 1.048 1141 V CB -0.410 31.377 31.823 -0.060 0.000 0.666 1141 V HN 0.453 nan 8.190 nan 0.000 0.456 1142 E N 0.163 120.325 120.200 -0.065 0.000 2.107 1142 E HA -0.102 4.249 4.350 0.001 0.000 0.191 1142 E C 2.348 178.917 176.600 -0.052 0.000 0.982 1142 E CA 1.081 57.448 56.400 -0.056 0.000 0.809 1142 E CB -0.266 29.398 29.700 -0.061 0.000 0.756 1142 E HN 0.589 nan 8.360 nan 0.000 0.459 1143 A N 1.654 124.442 122.820 -0.053 0.000 1.902 1143 A HA -0.134 4.186 4.320 0.001 0.000 0.217 1143 A C 2.397 179.947 177.584 -0.058 0.000 1.181 1143 A CA 1.713 53.718 52.037 -0.052 0.000 0.623 1143 A CB -0.597 18.374 19.000 -0.048 0.000 0.818 1143 A HN 0.288 nan 8.150 nan 0.000 0.443 1144 A N -0.450 122.339 122.820 -0.053 0.000 1.902 1144 A HA -0.152 4.169 4.320 0.001 0.000 0.217 1144 A C 2.092 179.641 177.584 -0.058 0.000 1.181 1144 A CA 2.155 54.160 52.037 -0.054 0.000 0.623 1144 A CB -0.429 18.547 19.000 -0.039 0.000 0.818 1144 A HN 0.457 nan 8.150 nan 0.000 0.443 1145 K N 0.272 120.642 120.400 -0.050 0.000 2.103 1145 K HA -0.137 4.184 4.320 0.001 0.000 0.207 1145 K C 2.363 178.934 176.600 -0.048 0.000 1.048 1145 K CA 1.649 57.909 56.287 -0.045 0.000 0.930 1145 K CB -0.223 32.254 32.500 -0.039 0.000 0.716 1145 K HN 0.609 nan 8.250 nan 0.000 0.444 1146 S N 0.312 115.981 115.700 -0.052 0.000 2.428 1146 S HA -0.113 4.358 4.470 0.001 0.000 0.230 1146 S C 1.750 176.311 174.600 -0.064 0.000 1.014 1146 S CA 1.057 59.227 58.200 -0.051 0.000 0.957 1146 S CB -0.414 62.758 63.200 -0.047 0.000 0.784 1146 S HN 0.430 nan 8.310 nan 0.000 0.499 1147 I N -2.292 118.225 120.570 -0.088 0.000 3.956 1147 I HA 0.591 4.761 4.170 0.001 0.000 0.333 1147 I C 1.265 177.303 176.117 -0.133 0.000 1.302 1147 I CA 0.342 61.566 61.300 -0.126 0.000 1.122 1147 I CB -0.052 37.838 38.000 -0.184 0.000 1.013 1147 I HN 0.287 nan 8.210 nan 0.000 0.405 1148 G N 1.369 110.117 108.800 -0.086 0.000 2.147 1148 G HA2 -0.181 3.780 3.960 0.001 0.000 0.244 1148 G HA3 -0.181 3.780 3.960 0.001 0.000 0.244 1148 G C 0.403 175.289 174.900 -0.023 0.000 1.005 1148 G CA 0.039 45.109 45.100 -0.050 0.000 0.713 1148 G HN 0.994 nan 8.290 nan 0.000 0.515 1149 A N 0.191 122.989 122.820 -0.037 0.000 2.407 1149 A HA 0.732 5.053 4.320 0.001 0.000 0.248 1149 A C 1.058 178.656 177.584 0.023 0.000 1.082 1149 A CA 0.951 53.025 52.037 0.061 0.000 0.785 1149 A CB 0.359 19.422 19.000 0.104 0.000 1.020 1149 A HN 1.895 nan 8.150 nan 0.000 0.489 1150 T N 0.631 115.205 114.554 0.032 0.000 2.779 1150 T HA 0.497 4.847 4.350 0.001 0.000 0.296 1150 T C 0.030 174.661 174.700 -0.114 0.000 0.938 1150 T CA 0.040 62.113 62.100 -0.046 0.000 1.119 1150 T CB -0.058 68.797 68.868 -0.022 0.000 0.891 1150 T HN 0.534 nan 8.240 nan 0.000 0.526 1151 T N 4.613 119.029 114.554 -0.230 0.000 2.863 1151 T HA 0.438 4.788 4.350 0.001 0.000 0.285 1151 T C -0.818 173.636 174.700 -0.410 0.000 1.009 1151 T CA -0.753 61.224 62.100 -0.205 0.000 0.989 1151 T CB 0.925 69.739 68.868 -0.090 0.000 1.004 1151 T HN 0.731 nan 8.240 nan 0.000 0.455 1152 H N 0.903 119.989 119.070 0.026 0.000 2.495 1152 H HA 0.590 5.147 4.556 0.001 0.000 0.348 1152 H C -0.984 174.357 175.328 0.022 0.000 1.113 1152 H CA -0.600 55.469 56.048 0.035 0.000 1.195 1152 H CB 1.899 31.683 29.762 0.038 0.000 1.521 1152 H HN 0.248 nan 8.280 nan 0.000 0.509 1153 V N 2.229 122.219 119.914 0.126 0.000 2.409 1153 V HA 0.673 4.794 4.120 0.001 0.000 0.291 1153 V C 0.487 176.626 176.094 0.075 0.000 1.020 1153 V CA -0.194 62.150 62.300 0.073 0.000 0.848 1153 V CB 1.304 33.154 31.823 0.043 0.000 0.990 1153 V HN 1.114 nan 8.190 nan 0.000 0.430 1154 G N 3.382 112.214 108.800 0.053 0.000 2.399 1154 G HA2 0.392 4.353 3.960 0.001 0.000 0.256 1154 G HA3 0.392 4.353 3.960 0.001 0.000 0.256 1154 G C -1.490 173.417 174.900 0.013 0.000 1.236 1154 G CA -0.389 44.734 45.100 0.039 0.000 0.914 1154 G HN 0.494 nan 8.290 nan 0.000 0.482 1155 V N 0.824 120.736 119.914 -0.004 0.000 2.509 1155 V HA 0.657 4.777 4.120 0.001 0.000 0.284 1155 V C 0.280 176.329 176.094 -0.075 0.000 1.047 1155 V CA -0.144 62.134 62.300 -0.036 0.000 0.952 1155 V CB 1.374 33.174 31.823 -0.038 0.000 0.988 1155 V HN 0.764 nan 8.190 nan 0.000 0.469 1156 T N 3.523 118.020 114.554 -0.095 0.000 2.856 1156 T HA 0.659 5.010 4.350 0.001 0.000 0.283 1156 T C -0.073 174.503 174.700 -0.206 0.000 1.008 1156 T CA -0.282 61.739 62.100 -0.132 0.000 0.997 1156 T CB 1.633 70.455 68.868 -0.076 0.000 0.992 1156 T HN 0.908 nan 8.240 nan 0.000 0.454 1157 A N 2.156 124.795 122.820 -0.302 0.000 2.276 1157 A HA 0.628 4.949 4.320 0.001 0.000 0.300 1157 A C 0.291 177.809 177.584 -0.109 0.000 1.235 1157 A CA -0.473 51.340 52.037 -0.372 0.000 0.867 1157 A CB 0.460 19.027 19.000 -0.723 0.000 1.137 1157 A HN 0.628 nan 8.150 nan 0.000 0.527 1158 S N 2.048 117.701 115.700 -0.078 0.000 2.520 1158 S HA 0.530 5.000 4.470 0.001 0.000 0.324 1158 S C -0.129 174.486 174.600 0.025 0.000 1.069 1158 S CA -0.317 57.881 58.200 -0.004 0.000 1.121 1158 S CB 0.357 63.548 63.200 -0.015 0.000 0.971 1158 S HN 1.032 nan 8.310 nan 0.000 0.463 1159 S N 3.293 119.014 115.700 0.035 0.000 2.501 1159 S HA 0.382 4.852 4.470 0.001 0.000 0.301 1159 S C 0.388 174.979 174.600 -0.016 0.000 1.096 1159 S CA -0.602 57.599 58.200 0.002 0.000 1.063 1159 S CB 1.247 64.391 63.200 -0.094 0.000 1.042 1159 S HN 0.681 nan 8.310 nan 0.000 0.494 1160 D N 1.918 122.314 120.400 -0.007 0.000 2.371 1160 D HA 0.110 4.750 4.640 0.001 0.000 0.221 1160 D C 0.709 176.997 176.300 -0.020 0.000 0.986 1160 D CA 0.859 54.859 54.000 -0.001 0.000 0.899 1160 D CB 0.154 40.969 40.800 0.025 0.000 0.902 1160 D HN 0.728 nan 8.370 nan 0.000 0.530 1161 T N -3.993 110.516 114.554 -0.075 0.000 2.906 1161 T HA 0.291 4.641 4.350 0.001 0.000 0.295 1161 T C 0.454 175.104 174.700 -0.082 0.000 1.075 1161 T CA -0.892 61.179 62.100 -0.047 0.000 1.005 1161 T CB 1.216 70.044 68.868 -0.067 0.000 1.136 1161 T HN -0.118 nan 8.240 nan 0.000 0.498 1162 F N 0.060 119.890 119.950 -0.200 0.000 2.416 1162 F HA 0.220 4.748 4.527 0.001 0.000 0.296 1162 F C 0.905 176.383 175.800 -0.537 0.000 1.099 1162 F CA 0.651 58.417 58.000 -0.389 0.000 1.427 1162 F CB -0.039 38.682 39.000 -0.466 0.000 1.079 1162 F HN 0.681 nan 8.300 nan 0.000 0.536 1163 Y N 0.651 120.914 120.300 -0.061 0.000 2.344 1163 Y HA 0.168 4.718 4.550 0.001 0.000 0.261 1163 Y C -0.477 175.251 175.900 -0.288 0.000 1.080 1163 Y CA 0.384 58.400 58.100 -0.139 0.000 1.151 1163 Y CB -1.859 36.605 38.460 0.007 0.000 1.059 1163 Y HN -0.236 nan 8.280 nan 0.000 0.490 1164 P HA -0.095 nan 4.420 nan 0.000 0.217 1164 P C 1.442 178.470 177.300 -0.454 0.000 1.150 1164 P CA 2.205 65.168 63.100 -0.229 0.000 0.832 1164 P CB -0.212 31.407 31.700 -0.134 0.000 0.787 1165 G N -0.162 108.271 108.800 -0.612 0.000 2.534 1165 G HA2 -0.181 3.780 3.960 0.001 0.000 0.217 1165 G HA3 -0.181 3.780 3.960 0.001 0.000 0.217 1165 G C 1.323 175.808 174.900 -0.692 0.000 1.128 1165 G CA 0.230 44.717 45.100 -1.021 0.000 0.784 1165 G HN 0.364 nan 8.290 nan 0.000 0.542 1166 Q N -0.468 118.894 119.800 -0.730 0.000 2.188 1166 Q HA 0.221 4.562 4.340 0.001 0.000 0.212 1166 Q C -0.013 175.651 176.000 -0.559 0.000 0.846 1166 Q CA -0.287 54.830 55.803 -1.144 0.000 0.989 1166 Q CB 0.440 28.371 28.738 -1.346 0.000 1.114 1166 Q HN 0.547 nan 8.270 nan 0.000 0.488 1167 E N 1.582 121.576 120.200 -0.343 0.000 2.269 1167 E HA -0.238 4.113 4.350 0.001 0.000 0.223 1167 E C -0.921 175.506 176.600 -0.287 0.000 1.244 1167 E CA 0.152 56.402 56.400 -0.251 0.000 0.713 1167 E CB -0.355 29.348 29.700 0.005 0.000 1.178 1167 E HN 0.355 nan 8.360 nan 0.000 0.370 1168 R N 0.050 120.365 120.500 -0.308 0.000 2.297 1168 R HA 0.197 4.538 4.340 0.001 0.000 0.308 1168 R C 0.319 176.489 176.300 -0.217 0.000 1.029 1168 R CA -0.167 55.845 56.100 -0.146 0.000 0.929 1168 R CB 0.480 30.750 30.300 -0.049 0.000 1.046 1168 R HN 0.197 nan 8.270 nan 0.000 0.461 1169 Y N -0.409 119.922 120.300 0.052 0.000 2.458 1169 Y HA 0.029 4.580 4.550 0.001 0.000 0.254 1169 Y C 0.701 176.631 175.900 0.049 0.000 1.120 1169 Y CA -0.049 58.078 58.100 0.045 0.000 1.282 1169 Y CB 0.484 38.960 38.460 0.027 0.000 1.109 1169 Y HN 0.504 nan 8.280 nan 0.000 0.526 1170 D N 1.457 121.974 120.400 0.195 0.000 2.619 1170 D HA 0.126 4.767 4.640 0.001 0.000 0.224 1170 D C 0.007 176.376 176.300 0.115 0.000 1.133 1170 D CA 0.146 54.234 54.000 0.146 0.000 1.017 1170 D CB -0.176 40.708 40.800 0.139 0.000 1.077 1170 D HN 0.249 nan 8.370 nan 0.000 0.503 1171 T N -1.974 112.617 114.554 0.061 0.000 2.716 1171 T HA 0.166 4.516 4.350 0.001 0.000 0.286 1171 T C 0.979 175.688 174.700 0.014 0.000 1.052 1171 T CA -0.816 61.272 62.100 -0.020 0.000 1.024 1171 T CB 0.331 69.161 68.868 -0.064 0.000 1.349 1171 T HN 0.138 nan 8.240 nan 0.000 0.525 1172 Y N 1.292 121.525 120.300 -0.112 0.000 2.128 1172 Y HA -0.134 4.417 4.550 0.001 0.000 0.284 1172 Y C 2.723 178.603 175.900 -0.034 0.000 1.154 1172 Y CA 2.561 60.619 58.100 -0.071 0.000 1.149 1172 Y CB -0.199 38.208 38.460 -0.088 0.000 0.976 1172 Y HN 0.725 nan 8.280 nan 0.000 0.505 1173 S N -1.014 114.585 115.700 -0.168 0.000 2.478 1173 S HA 0.175 4.645 4.470 0.001 0.000 0.222 1173 S C 1.754 176.294 174.600 -0.099 0.000 1.008 1173 S CA 0.517 58.589 58.200 -0.214 0.000 0.928 1173 S CB -0.259 62.907 63.200 -0.056 0.000 0.781 1173 S HN 0.952 nan 8.310 nan 0.000 0.518 1174 G N 2.012 110.797 108.800 -0.024 0.000 2.168 1174 G HA2 -0.319 3.642 3.960 0.001 0.000 0.257 1174 G HA3 -0.319 3.642 3.960 0.001 0.000 0.257 1174 G C -0.012 174.983 174.900 0.158 0.000 0.997 1174 G CA 0.553 45.691 45.100 0.063 0.000 0.708 1174 G HN 1.025 nan 8.290 nan 0.000 0.520 1175 R N -1.652 118.908 120.500 0.099 0.000 2.808 1175 R HA 0.788 5.129 4.340 0.001 0.000 0.272 1175 R C -1.491 174.825 176.300 0.027 0.000 0.995 1175 R CA -0.875 55.308 56.100 0.139 0.000 0.917 1175 R CB 1.888 32.244 30.300 0.093 0.000 1.217 1175 R HN 0.311 nan 8.270 nan 0.000 0.471 1176 V N 2.247 122.195 119.914 0.055 0.000 2.588 1176 V HA 0.277 4.397 4.120 0.001 0.000 0.304 1176 V C 0.025 176.178 176.094 0.099 0.000 1.042 1176 V CA -1.026 61.261 62.300 -0.023 0.000 0.877 1176 V CB 1.740 33.429 31.823 -0.224 0.000 0.996 1176 V HN 0.673 nan 8.190 nan 0.000 0.425 1177 V N 5.871 125.863 119.914 0.131 0.000 2.814 1177 V HA 0.001 4.121 4.120 0.001 0.000 0.307 1177 V C 1.940 178.142 176.094 0.180 0.000 1.089 1177 V CA 0.839 63.240 62.300 0.168 0.000 1.212 1177 V CB 0.769 32.725 31.823 0.222 0.000 0.912 1177 V HN 0.985 nan 8.190 nan 0.000 0.497 1178 R N 3.658 124.238 120.500 0.133 0.000 2.134 1178 R HA -0.283 4.057 4.340 0.001 0.000 0.248 1178 R C 1.949 178.303 176.300 0.090 0.000 1.143 1178 R CA 2.823 58.984 56.100 0.102 0.000 0.957 1178 R CB -0.665 29.681 30.300 0.077 0.000 0.867 1178 R HN 1.008 nan 8.270 nan 0.000 0.441 1179 H N -0.822 118.235 119.070 -0.021 0.000 2.390 1179 H HA -0.159 4.397 4.556 0.001 0.000 0.298 1179 H C 1.201 176.351 175.328 -0.297 0.000 1.106 1179 H CA 2.362 58.302 56.048 -0.179 0.000 1.297 1179 H CB -0.265 29.341 29.762 -0.260 0.000 1.375 1179 H HN 0.290 nan 8.280 nan 0.000 0.509 1180 F N -0.200 119.735 119.950 -0.025 0.000 2.695 1180 F HA 0.227 4.754 4.527 0.001 0.000 0.303 1180 F C 0.993 176.764 175.800 -0.048 0.000 1.091 1180 F CA -0.226 57.730 58.000 -0.073 0.000 1.300 1180 F CB 0.312 39.317 39.000 0.009 0.000 1.071 1180 F HN -0.148 nan 8.300 nan 0.000 0.578 1181 K N 0.496 120.962 120.400 0.110 0.000 2.416 1181 K HA 0.258 4.579 4.320 0.001 0.000 0.283 1181 K C 1.162 177.787 176.600 0.042 0.000 1.037 1181 K CA 0.860 57.221 56.287 0.124 0.000 0.995 1181 K CB 0.258 32.828 32.500 0.118 0.000 0.938 1181 K HN 0.348 nan 8.250 nan 0.000 0.475 1182 G N 2.171 111.015 108.800 0.073 0.000 2.168 1182 G HA2 -0.347 3.614 3.960 0.001 0.000 0.263 1182 G HA3 -0.347 3.614 3.960 0.001 0.000 0.263 1182 G C 0.829 175.663 174.900 -0.109 0.000 0.977 1182 G CA 0.944 46.039 45.100 -0.009 0.000 0.659 1182 G HN 0.729 nan 8.290 nan 0.000 0.533 1183 S N -0.720 114.920 115.700 -0.100 0.000 2.387 1183 S HA 0.028 4.499 4.470 0.001 0.000 0.226 1183 S C 2.270 176.640 174.600 -0.383 0.000 1.026 1183 S CA 1.626 59.636 58.200 -0.317 0.000 0.972 1183 S CB -0.269 62.891 63.200 -0.066 0.000 0.814 1183 S HN 0.726 nan 8.310 nan 0.000 0.477 1184 M N 1.620 121.244 119.600 0.040 0.000 2.117 1184 M HA -0.111 4.369 4.480 0.001 0.000 0.262 1184 M C 2.358 178.675 176.300 0.029 0.000 1.065 1184 M CA 2.144 57.563 55.300 0.199 0.000 1.114 1184 M CB -0.279 32.503 32.600 0.303 0.000 1.361 1184 M HN 0.548 nan 8.290 nan 0.000 0.408 1185 E N -0.076 120.106 120.200 -0.030 0.000 2.110 1185 E HA -0.226 4.124 4.350 0.001 0.000 0.193 1185 E C 1.805 178.344 176.600 -0.102 0.000 0.988 1185 E CA 1.231 57.607 56.400 -0.041 0.000 0.804 1185 E CB -0.047 29.631 29.700 -0.036 0.000 0.745 1185 E HN 0.565 nan 8.360 nan 0.000 0.458 1186 E N -0.093 119.956 120.200 -0.251 0.000 2.051 1186 E HA -0.185 4.165 4.350 0.001 0.000 0.192 1186 E C 1.828 178.317 176.600 -0.186 0.000 0.991 1186 E CA 1.353 57.557 56.400 -0.326 0.000 0.799 1186 E CB -0.286 29.067 29.700 -0.578 0.000 0.748 1186 E HN 0.512 nan 8.360 nan 0.000 0.449 1187 W N 1.241 122.532 121.300 -0.016 0.000 2.363 1187 W HA -0.165 4.496 4.660 0.001 0.000 0.296 1187 W C 2.584 179.062 176.519 -0.067 0.000 1.212 1187 W CA 0.167 57.477 57.345 -0.057 0.000 1.260 1187 W CB -0.273 29.111 29.460 -0.126 0.000 1.131 1187 W HN 0.186 nan 8.180 nan 0.000 0.530 1188 Q N 0.627 120.510 119.800 0.139 0.000 2.030 1188 Q HA -0.229 4.111 4.340 0.001 0.000 0.204 1188 Q C 2.498 178.533 176.000 0.058 0.000 0.986 1188 Q CA 2.395 58.239 55.803 0.068 0.000 0.843 1188 Q CB -0.569 28.194 28.738 0.041 0.000 0.904 1188 Q HN 0.285 nan 8.270 nan 0.000 0.420 1189 A N -0.043 122.800 122.820 0.037 0.000 2.019 1189 A HA -0.149 4.171 4.320 0.001 0.000 0.219 1189 A C 1.783 179.394 177.584 0.046 0.000 1.164 1189 A CA 1.320 53.373 52.037 0.027 0.000 0.644 1189 A CB -0.362 18.637 19.000 -0.001 0.000 0.805 1189 A HN 0.393 nan 8.150 nan 0.000 0.449 1190 M N -1.280 118.369 119.600 0.080 0.000 2.561 1190 M HA 0.185 4.666 4.480 0.001 0.000 0.238 1190 M C 1.310 177.662 176.300 0.086 0.000 1.131 1190 M CA 0.741 56.100 55.300 0.098 0.000 1.046 1190 M CB 0.278 32.980 32.600 0.169 0.000 1.532 1190 M HN 0.604 nan 8.290 nan 0.000 0.497 1191 G N 0.388 109.233 108.800 0.075 0.000 2.176 1191 G HA2 -0.210 3.751 3.960 0.001 0.000 0.253 1191 G HA3 -0.210 3.751 3.960 0.001 0.000 0.253 1191 G C 0.118 175.046 174.900 0.046 0.000 0.979 1191 G CA -0.158 44.980 45.100 0.064 0.000 0.641 1191 G HN 0.308 nan 8.290 nan 0.000 0.530 1192 V N 1.764 121.701 119.914 0.038 0.000 2.694 1192 V HA 0.167 4.287 4.120 0.001 0.000 0.306 1192 V C 1.874 177.925 176.094 -0.072 0.000 1.054 1192 V CA 1.270 63.550 62.300 -0.033 0.000 1.161 1192 V CB 1.187 32.971 31.823 -0.066 0.000 0.916 1192 V HN 0.400 nan 8.190 nan 0.000 0.490 1193 M N 3.094 122.636 119.600 -0.098 0.000 2.287 1193 M HA 0.096 4.576 4.480 0.001 0.000 0.266 1193 M C 0.635 176.838 176.300 -0.161 0.000 1.079 1193 M CA 1.035 56.262 55.300 -0.121 0.000 1.146 1193 M CB 0.026 32.572 32.600 -0.089 0.000 1.374 1193 M HN 0.971 nan 8.290 nan 0.000 0.435 1194 N N -1.683 116.901 118.700 -0.193 0.000 3.046 1194 N HA 0.163 4.903 4.740 0.001 0.000 0.243 1194 N C -1.963 173.394 175.510 -0.254 0.000 1.452 1194 N CA -0.685 52.258 53.050 -0.178 0.000 0.882 1194 N CB 1.078 39.513 38.487 -0.086 0.000 1.425 1194 N HN -0.001 nan 8.380 nan 0.000 0.517 1195 Y N -0.407 119.842 120.300 -0.086 0.000 2.387 1195 Y HA 0.469 5.019 4.550 0.001 0.000 0.336 1195 Y C 0.287 176.133 175.900 -0.090 0.000 1.067 1195 Y CA -0.295 57.741 58.100 -0.107 0.000 1.114 1195 Y CB 1.698 40.078 38.460 -0.134 0.000 1.208 1195 Y HN 0.778 nan 8.280 nan 0.000 0.458 1196 E N 0.290 120.557 120.200 0.111 0.000 2.408 1196 E HA 0.459 4.810 4.350 0.001 0.000 0.266 1196 E C -1.062 175.564 176.600 0.043 0.000 1.025 1196 E CA -0.798 55.637 56.400 0.059 0.000 0.881 1196 E CB 1.122 30.843 29.700 0.036 0.000 1.660 1196 E HN 0.537 nan 8.360 nan 0.000 0.458 1197 M N -0.427 119.193 119.600 0.033 0.000 2.347 1197 M HA 0.341 4.822 4.480 0.001 0.000 0.324 1197 M C -0.136 176.175 176.300 0.017 0.000 1.028 1197 M CA 0.246 55.560 55.300 0.024 0.000 0.988 1197 M CB 0.611 33.230 32.600 0.031 0.000 1.528 1197 M HN 0.537 nan 8.290 nan 0.000 0.550 1198 E N -0.811 119.398 120.200 0.014 0.000 2.535 1198 E HA 0.058 4.409 4.350 0.001 0.000 0.216 1198 E C 1.814 178.412 176.600 -0.004 0.000 0.845 1198 E CA 0.570 56.974 56.400 0.007 0.000 1.306 1198 E CB 0.391 30.097 29.700 0.010 0.000 1.291 1198 E HN 0.301 nan 8.360 nan 0.000 0.635 1199 S N 0.840 116.539 115.700 -0.002 0.000 2.399 1199 S HA -0.112 4.358 4.470 0.001 0.000 0.231 1199 S C 2.186 176.780 174.600 -0.009 0.000 1.022 1199 S CA 0.992 59.188 58.200 -0.008 0.000 0.983 1199 S CB -0.253 62.943 63.200 -0.006 0.000 0.803 1199 S HN 0.232 nan 8.310 nan 0.000 0.480 1200 A N 1.753 124.572 122.820 -0.001 0.000 1.902 1200 A HA -0.019 4.302 4.320 0.001 0.000 0.217 1200 A C 2.432 180.025 177.584 0.015 0.000 1.181 1200 A CA 2.039 54.084 52.037 0.014 0.000 0.623 1200 A CB -1.597 17.416 19.000 0.023 0.000 0.818 1200 A HN 0.558 nan 8.150 nan 0.000 0.443 1201 T N 0.040 114.595 114.554 0.002 0.000 2.701 1201 T HA -0.114 4.236 4.350 0.001 0.000 0.263 1201 T C 1.886 176.519 174.700 -0.112 0.000 1.040 1201 T CA 1.504 63.594 62.100 -0.016 0.000 1.147 1201 T CB -0.423 68.445 68.868 0.000 0.000 0.865 1201 T HN 0.346 nan 8.240 nan 0.000 0.426 1202 L N 1.060 122.218 121.223 -0.108 0.000 1.989 1202 L HA -0.015 4.326 4.340 0.001 0.000 0.211 1202 L C 2.170 178.949 176.870 -0.152 0.000 1.071 1202 L CA 1.731 56.471 54.840 -0.167 0.000 0.749 1202 L CB -0.677 41.317 42.059 -0.107 0.000 0.890 1202 L HN 0.247 nan 8.230 nan 0.000 0.431 1203 L N -1.368 119.816 121.223 -0.066 0.000 2.093 1203 L HA -0.150 4.190 4.340 0.001 0.000 0.208 1203 L C 2.336 179.208 176.870 0.003 0.000 1.085 1203 L CA 1.525 56.355 54.840 -0.017 0.000 0.755 1203 L CB -1.106 40.967 42.059 0.022 0.000 0.904 1203 L HN 0.289 nan 8.230 nan 0.000 0.435 1204 T N 0.571 115.124 114.554 -0.002 0.000 2.777 1204 T HA -0.194 4.157 4.350 0.001 0.000 0.266 1204 T C 1.864 176.466 174.700 -0.163 0.000 1.040 1204 T CA 1.822 63.937 62.100 0.025 0.000 1.141 1204 T CB -0.200 68.711 68.868 0.071 0.000 0.868 1204 T HN 0.440 nan 8.240 nan 0.000 0.444 1205 M N 0.178 119.553 119.600 -0.374 0.000 2.254 1205 M HA 0.010 4.491 4.480 0.001 0.000 0.265 1205 M C 2.163 178.189 176.300 -0.457 0.000 1.066 1205 M CA 1.435 56.270 55.300 -0.776 0.000 1.123 1205 M CB -0.937 30.730 32.600 -1.555 0.000 1.388 1205 M HN 0.169 nan 8.290 nan 0.000 0.425 1206 C N 1.397 120.522 119.300 -0.291 0.000 2.500 1206 C HA 0.192 4.652 4.460 0.001 0.000 0.279 1206 C C 3.251 178.220 174.990 -0.035 0.000 1.288 1206 C CA 0.922 59.848 59.018 -0.153 0.000 1.710 1206 C CB -1.162 26.519 27.740 -0.099 0.000 2.052 1206 C HN 0.759 nan 8.230 nan 0.000 0.488 1207 A N 1.047 123.885 122.820 0.029 0.000 2.070 1207 A HA -0.130 4.191 4.320 0.001 0.000 0.220 1207 A C 2.133 179.814 177.584 0.162 0.000 1.159 1207 A CA 2.124 54.255 52.037 0.158 0.000 0.656 1207 A CB -0.562 18.620 19.000 0.304 0.000 0.800 1207 A HN 0.718 nan 8.150 nan 0.000 0.453 1208 S N -2.096 113.578 115.700 -0.043 0.000 2.540 1208 S HA 0.192 4.663 4.470 0.001 0.000 0.218 1208 S C 0.901 175.457 174.600 -0.072 0.000 0.977 1208 S CA 0.176 58.268 58.200 -0.180 0.000 0.918 1208 S CB 0.100 62.974 63.200 -0.543 0.000 0.806 1208 S HN 0.622 nan 8.310 nan 0.000 0.496 1209 Q N 0.246 120.025 119.800 -0.035 0.000 2.086 1209 Q HA 0.344 4.685 4.340 0.001 0.000 0.220 1209 Q C 0.652 176.667 176.000 0.025 0.000 0.792 1209 Q CA 0.073 55.872 55.803 -0.007 0.000 1.062 1209 Q CB 1.121 29.839 28.738 -0.032 0.000 1.198 1209 Q HN 0.633 nan 8.270 nan 0.000 0.466 1210 G N 1.468 110.294 108.800 0.044 0.000 2.160 1210 G HA2 -0.268 3.692 3.960 0.001 0.000 0.251 1210 G HA3 -0.268 3.692 3.960 0.001 0.000 0.251 1210 G C -0.105 174.837 174.900 0.070 0.000 1.008 1210 G CA 0.139 45.275 45.100 0.059 0.000 0.724 1210 G HN 0.258 nan 8.290 nan 0.000 0.514 1211 L N -0.245 121.023 121.223 0.075 0.000 2.325 1211 L HA 0.611 4.952 4.340 0.001 0.000 0.278 1211 L C 0.964 177.912 176.870 0.129 0.000 1.023 1211 L CA -1.094 53.822 54.840 0.126 0.000 0.811 1211 L CB 1.327 43.483 42.059 0.163 0.000 1.249 1211 L HN 0.052 nan 8.230 nan 0.000 0.431 1212 R N 2.009 122.599 120.500 0.149 0.000 2.254 1212 R HA 0.722 5.062 4.340 0.001 0.000 0.318 1212 R C -0.637 175.765 176.300 0.169 0.000 1.031 1212 R CA -0.398 55.777 56.100 0.125 0.000 0.905 1212 R CB 1.491 31.841 30.300 0.083 0.000 1.050 1212 R HN 0.713 nan 8.270 nan 0.000 0.456 1213 A N 1.559 124.454 122.820 0.125 0.000 2.498 1213 A HA 0.848 5.168 4.320 0.001 0.000 0.298 1213 A C -0.715 176.914 177.584 0.075 0.000 1.075 1213 A CA -0.654 51.458 52.037 0.124 0.000 0.714 1213 A CB 2.271 21.319 19.000 0.080 0.000 1.299 1213 A HN 0.756 nan 8.150 nan 0.000 0.407 1214 G N 0.315 109.155 108.800 0.066 0.000 2.672 1214 G HA2 0.627 4.587 3.960 0.001 0.000 0.292 1214 G HA3 0.627 4.587 3.960 0.001 0.000 0.292 1214 G C -1.340 173.581 174.900 0.035 0.000 1.375 1214 G CA -0.452 44.670 45.100 0.036 0.000 0.890 1214 G HN 0.584 nan 8.290 nan 0.000 0.476 1215 M N 1.178 120.791 119.600 0.021 0.000 2.326 1215 M HA 0.581 5.062 4.480 0.001 0.000 0.292 1215 M C -1.633 174.676 176.300 0.015 0.000 1.081 1215 M CA -0.796 54.516 55.300 0.020 0.000 0.919 1215 M CB 1.920 34.529 32.600 0.015 0.000 1.634 1215 M HN 0.518 nan 8.290 nan 0.000 0.451 1216 V N 3.019 122.943 119.914 0.017 0.000 2.932 1216 V HA 0.978 5.099 4.120 0.001 0.000 0.307 1216 V C -1.679 174.427 176.094 0.020 0.000 1.147 1216 V CA -0.232 62.078 62.300 0.017 0.000 0.951 1216 V CB 2.033 33.864 31.823 0.012 0.000 1.031 1216 V HN 1.016 nan 8.190 nan 0.000 0.426 1217 A N 3.851 126.686 122.820 0.024 0.000 2.572 1217 A HA 0.936 5.257 4.320 0.001 0.000 0.295 1217 A C -0.238 177.364 177.584 0.031 0.000 1.072 1217 A CA -0.148 51.904 52.037 0.024 0.000 0.691 1217 A CB 1.909 20.920 19.000 0.020 0.000 1.291 1217 A HN 1.641 nan 8.150 nan 0.000 0.404 1218 G N -0.081 108.736 108.800 0.029 0.000 2.367 1218 G HA2 0.529 4.489 3.960 0.001 0.000 0.314 1218 G HA3 0.529 4.489 3.960 0.001 0.000 0.314 1218 G C -0.575 174.336 174.900 0.017 0.000 1.130 1218 G CA -0.380 44.737 45.100 0.029 0.000 0.864 1218 G HN 0.926 nan 8.290 nan 0.000 0.486 1219 V N 3.424 123.346 119.914 0.014 0.000 2.427 1219 V HA 0.106 4.227 4.120 0.001 0.000 0.268 1219 V C 1.284 177.377 176.094 -0.003 0.000 1.046 1219 V CA -0.014 62.287 62.300 0.001 0.000 0.970 1219 V CB 0.570 32.388 31.823 -0.008 0.000 1.001 1219 V HN 0.767 nan 8.190 nan 0.000 0.476 1220 I N 3.502 124.073 120.570 0.002 0.000 3.708 1220 I HA 0.427 4.597 4.170 0.001 0.000 0.302 1220 I C 0.439 176.559 176.117 0.004 0.000 1.255 1220 I CA 0.583 61.885 61.300 0.003 0.000 1.362 1220 I CB 0.695 38.702 38.000 0.011 0.000 1.100 1220 I HN 0.412 nan 8.210 nan 0.000 0.434 1221 V N 1.059 120.975 119.914 0.003 0.000 3.087 1221 V HA 0.453 4.574 4.120 0.001 0.000 0.306 1221 V C -1.677 174.411 176.094 -0.010 0.000 1.187 1221 V CA -0.662 61.639 62.300 0.002 0.000 0.999 1221 V CB 2.393 34.224 31.823 0.013 0.000 1.049 1221 V HN 0.337 nan 8.190 nan 0.000 0.431 1222 N N 3.847 122.540 118.700 -0.011 0.000 2.446 1222 N HA 0.363 5.103 4.740 0.001 0.000 0.265 1222 N C 0.644 176.151 175.510 -0.004 0.000 0.975 1222 N CA -0.601 52.438 53.050 -0.019 0.000 0.928 1222 N CB 1.680 40.149 38.487 -0.030 0.000 1.160 1222 N HN 0.563 nan 8.380 nan 0.000 0.495 1223 R N 0.675 121.178 120.500 0.004 0.000 2.241 1223 R HA -0.067 4.274 4.340 0.001 0.000 0.224 1223 R C 1.456 177.772 176.300 0.027 0.000 1.101 1223 R CA 1.042 57.156 56.100 0.023 0.000 0.995 1223 R CB -0.817 29.518 30.300 0.059 0.000 0.870 1223 R HN 0.659 nan 8.270 nan 0.000 0.463 1224 T N -1.331 113.231 114.554 0.013 0.000 3.160 1224 T HA -0.020 4.330 4.350 0.001 0.000 0.257 1224 T C 1.324 176.032 174.700 0.014 0.000 1.147 1224 T CA 0.552 62.661 62.100 0.015 0.000 1.064 1224 T CB 0.108 68.980 68.868 0.006 0.000 0.949 1224 T HN 0.369 nan 8.240 nan 0.000 0.526 1225 Q N -0.921 118.888 119.800 0.014 0.000 2.215 1225 Q HA 0.357 4.697 4.340 0.001 0.000 0.257 1225 Q C 0.215 176.227 176.000 0.020 0.000 0.792 1225 Q CA -0.181 55.631 55.803 0.015 0.000 0.958 1225 Q CB 0.846 29.590 28.738 0.010 0.000 1.158 1225 Q HN 0.492 nan 8.270 nan 0.000 0.490 1226 Q N -0.264 119.549 119.800 0.022 0.000 2.391 1226 Q HA 0.279 4.619 4.340 0.001 0.000 0.279 1226 Q C -0.473 175.541 176.000 0.025 0.000 1.028 1226 Q CA -0.198 55.621 55.803 0.027 0.000 0.836 1226 Q CB 2.771 31.523 28.738 0.024 0.000 1.414 1226 Q HN 0.054 nan 8.270 nan 0.000 0.397 1227 E N 0.890 121.110 120.200 0.033 0.000 2.038 1227 E HA 0.100 4.450 4.350 0.001 0.000 0.190 1227 E C 0.174 176.783 176.600 0.017 0.000 0.967 1227 E CA 0.406 56.814 56.400 0.013 0.000 0.816 1227 E CB 0.465 30.193 29.700 0.047 0.000 0.784 1227 E HN 0.368 nan 8.360 nan 0.000 0.456 1228 I N 3.514 124.128 120.570 0.073 0.000 2.396 1228 I HA 0.128 4.298 4.170 0.001 0.000 0.289 1228 I C -1.876 174.286 176.117 0.075 0.000 1.056 1228 I CA -2.018 59.348 61.300 0.110 0.000 1.365 1228 I CB -0.039 38.040 38.000 0.132 0.000 1.407 1228 I HN -0.030 nan 8.210 nan 0.000 0.509 1235 K N 0.782 121.165 120.400 -0.028 0.000 2.283 1235 K HA -0.020 4.301 4.320 0.001 0.000 0.202 1235 K C 1.547 178.132 176.600 -0.025 0.000 1.048 1235 K CA 1.474 57.747 56.287 -0.023 0.000 0.948 1235 K CB 0.090 32.579 32.500 -0.019 0.000 0.742 1235 K HN 0.518 nan 8.250 nan 0.000 0.458 1236 Q N -0.667 119.108 119.800 -0.041 0.000 2.389 1236 Q HA -0.045 4.296 4.340 0.001 0.000 0.204 1236 Q C 1.400 177.336 176.000 -0.107 0.000 0.944 1236 Q CA 1.011 56.781 55.803 -0.054 0.000 0.908 1236 Q CB 0.455 29.148 28.738 -0.076 0.000 1.002 1236 Q HN 0.316 nan 8.270 nan 0.000 0.493 1237 T N 1.133 115.623 114.554 -0.107 0.000 2.812 1237 T HA -0.160 4.191 4.350 0.001 0.000 0.264 1237 T C 1.568 176.264 174.700 -0.007 0.000 1.042 1237 T CA 1.601 63.636 62.100 -0.108 0.000 1.140 1237 T CB -0.064 68.760 68.868 -0.073 0.000 0.870 1237 T HN 0.540 nan 8.240 nan 0.000 0.445 1238 E N 0.754 120.955 120.200 0.001 0.000 2.285 1238 E HA 0.053 4.404 4.350 0.001 0.000 0.194 1238 E C 2.222 178.843 176.600 0.034 0.000 0.997 1238 E CA 0.836 57.247 56.400 0.018 0.000 0.845 1238 E CB -0.279 29.423 29.700 0.003 0.000 0.782 1238 E HN 0.157 nan 8.360 nan 0.000 0.491 1239 S N -0.089 115.635 115.700 0.040 0.000 2.399 1239 S HA -0.156 4.315 4.470 0.001 0.000 0.231 1239 S C 1.676 176.352 174.600 0.126 0.000 1.022 1239 S CA 0.964 59.201 58.200 0.062 0.000 0.983 1239 S CB -0.374 62.862 63.200 0.060 0.000 0.803 1239 S HN 0.463 nan 8.310 nan 0.000 0.480 1240 H N 0.080 119.143 119.070 -0.012 0.000 2.299 1240 H HA -0.013 4.544 4.556 0.001 0.000 0.302 1240 H C 2.472 177.793 175.328 -0.011 0.000 1.078 1240 H CA 1.084 57.126 56.048 -0.011 0.000 1.323 1240 H CB -0.142 29.616 29.762 -0.007 0.000 1.381 1240 H HN 0.463 nan 8.280 nan 0.000 0.498 1241 A N 0.570 123.469 122.820 0.131 0.000 1.902 1241 A HA -0.133 4.187 4.320 0.001 0.000 0.217 1241 A C 2.663 180.263 177.584 0.027 0.000 1.181 1241 A CA 1.487 53.560 52.037 0.061 0.000 0.623 1241 A CB -0.818 18.212 19.000 0.050 0.000 0.818 1241 A HN 0.207 nan 8.150 nan 0.000 0.443 1242 V N -0.218 119.710 119.914 0.024 0.000 2.295 1242 V HA -0.259 3.862 4.120 0.001 0.000 0.246 1242 V C 2.495 178.585 176.094 -0.008 0.000 1.049 1242 V CA 2.414 64.716 62.300 0.003 0.000 1.024 1242 V CB -0.645 31.174 31.823 -0.006 0.000 0.648 1242 V HN 0.580 nan 8.190 nan 0.000 0.447 1243 K N -0.194 120.201 120.400 -0.008 0.000 2.074 1243 K HA -0.174 4.147 4.320 0.001 0.000 0.209 1243 K C 1.937 178.513 176.600 -0.040 0.000 1.048 1243 K CA 1.789 58.057 56.287 -0.031 0.000 0.926 1243 K CB -0.327 32.141 32.500 -0.052 0.000 0.713 1243 K HN 0.407 nan 8.250 nan 0.000 0.444 1244 I N -0.497 120.050 120.570 -0.037 0.000 2.252 1244 I HA -0.256 3.914 4.170 0.001 0.000 0.245 1244 I C 2.161 178.262 176.117 -0.027 0.000 1.102 1244 I CA 0.806 62.083 61.300 -0.039 0.000 1.385 1244 I CB -0.163 37.819 38.000 -0.031 0.000 1.064 1244 I HN 0.029 nan 8.210 nan 0.000 0.414 1245 V N 0.297 120.201 119.914 -0.016 0.000 2.407 1245 V HA -0.212 3.908 4.120 0.001 0.000 0.248 1245 V C 2.366 178.450 176.094 -0.016 0.000 1.055 1245 V CA 1.649 63.942 62.300 -0.011 0.000 1.049 1245 V CB 0.141 31.963 31.823 -0.001 0.000 0.662 1245 V HN 0.206 nan 8.190 nan 0.000 0.455 1246 V N -0.029 119.873 119.914 -0.019 0.000 2.307 1246 V HA -0.210 3.911 4.120 0.001 0.000 0.245 1246 V C 2.522 178.602 176.094 -0.025 0.000 1.045 1246 V CA 2.258 64.545 62.300 -0.021 0.000 1.024 1246 V CB -0.663 31.146 31.823 -0.023 0.000 0.651 1246 V HN 0.662 nan 8.190 nan 0.000 0.449 1247 E N 0.785 120.967 120.200 -0.030 0.000 2.110 1247 E HA -0.178 4.173 4.350 0.001 0.000 0.193 1247 E C 2.068 178.648 176.600 -0.033 0.000 0.988 1247 E CA 1.661 58.041 56.400 -0.033 0.000 0.804 1247 E CB -0.427 29.249 29.700 -0.041 0.000 0.745 1247 E HN 0.526 nan 8.360 nan 0.000 0.458 1248 A N 0.763 123.563 122.820 -0.033 0.000 1.898 1248 A HA 0.030 4.351 4.320 0.001 0.000 0.216 1248 A C 2.471 180.036 177.584 -0.031 0.000 1.181 1248 A CA 1.897 53.913 52.037 -0.035 0.000 0.620 1248 A CB -1.077 17.903 19.000 -0.033 0.000 0.819 1248 A HN 0.380 nan 8.150 nan 0.000 0.442 1249 A N -0.175 122.630 122.820 -0.026 0.000 1.892 1249 A HA -0.258 4.062 4.320 0.001 0.000 0.218 1249 A C 2.212 179.780 177.584 -0.027 0.000 1.188 1249 A CA 2.029 54.050 52.037 -0.026 0.000 0.631 1249 A CB -0.566 18.420 19.000 -0.023 0.000 0.822 1249 A HN 0.530 nan 8.150 nan 0.000 0.447 1250 R N -0.813 119.672 120.500 -0.025 0.000 2.113 1250 R HA -0.167 4.173 4.340 0.001 0.000 0.244 1250 R C 2.328 178.614 176.300 -0.024 0.000 1.142 1250 R CA 2.109 58.195 56.100 -0.023 0.000 0.953 1250 R CB -0.221 30.065 30.300 -0.023 0.000 0.860 1250 R HN 0.550 nan 8.270 nan 0.000 0.438 1251 R N -0.374 120.109 120.500 -0.028 0.000 2.276 1251 R HA 0.021 4.361 4.340 0.001 0.000 0.203 1251 R C 1.370 177.653 176.300 -0.029 0.000 1.017 1251 R CA 0.612 56.694 56.100 -0.029 0.000 1.010 1251 R CB 0.179 30.456 30.300 -0.037 0.000 0.900 1251 R HN 0.218 nan 8.270 nan 0.000 0.469 1252 L N 0.299 121.504 121.223 -0.029 0.000 2.667 1252 L HA 0.210 4.550 4.340 0.001 0.000 0.232 1252 L C 0.387 177.242 176.870 -0.025 0.000 1.138 1252 L CA -0.220 54.604 54.840 -0.027 0.000 0.921 1252 L CB 0.171 42.212 42.059 -0.029 0.000 1.180 1252 L HN 0.059 nan 8.230 nan 0.000 0.487 1253 L N 0.000 121.209 121.223 -0.023 0.000 2.949 1253 L HA 0.000 4.341 4.340 0.001 0.000 0.249 1253 L CA 0.000 54.827 54.840 -0.023 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