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 1y1s_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 TQQEIPNAET 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 0.000 174.617 174.600 0.029 0.000 1.055 1004 S CA 0.000 58.214 58.200 0.023 0.000 1.107 1004 S CB 0.000 63.216 63.200 0.027 0.000 0.593 1005 D N 0.622 121.044 120.400 0.036 0.000 2.350 1005 D HA 0.220 4.860 4.640 0.001 0.000 0.213 1005 D C 1.121 177.458 176.300 0.060 0.000 1.031 1005 D CA 0.934 54.959 54.000 0.042 0.000 0.861 1005 D CB 0.391 41.213 40.800 0.036 0.000 0.926 1005 D HN 0.671 nan 8.370 nan 0.000 0.520 1006 V N -2.521 117.434 119.914 0.068 0.000 3.158 1006 V HA 0.437 4.558 4.120 0.001 0.000 0.315 1006 V C 0.633 176.804 176.094 0.127 0.000 1.148 1006 V CA -1.001 61.361 62.300 0.103 0.000 1.042 1006 V CB 1.571 33.446 31.823 0.086 0.000 1.101 1006 V HN -0.151 nan 8.190 nan 0.000 0.448 1007 F N -0.015 119.938 119.950 0.005 0.000 2.530 1007 F HA 0.261 4.789 4.527 0.001 0.000 0.292 1007 F C 1.792 177.470 175.800 -0.204 0.000 1.109 1007 F CA 1.600 59.539 58.000 -0.102 0.000 1.450 1007 F CB 0.087 39.009 39.000 -0.130 0.000 1.114 1007 F HN 0.759 nan 8.300 nan 0.000 0.560 1008 H N -1.821 117.194 119.070 -0.091 0.000 2.594 1008 H HA 0.196 4.753 4.556 0.001 0.000 0.274 1008 H C 1.704 177.050 175.328 0.030 0.000 0.982 1008 H CA 0.654 56.647 56.048 -0.092 0.000 1.228 1008 H CB -0.100 29.674 29.762 0.021 0.000 1.447 1008 H HN 0.041 nan 8.280 nan 0.000 0.485 1009 L N 0.090 121.368 121.223 0.093 0.000 2.217 1009 L HA 0.149 4.489 4.340 0.001 0.000 0.211 1009 L C 1.384 178.418 176.870 0.274 0.000 1.107 1009 L CA 1.578 56.490 54.840 0.120 0.000 0.783 1009 L CB -0.880 41.175 42.059 -0.007 0.000 0.919 1009 L HN 0.562 nan 8.230 nan 0.000 0.442 1010 G N -0.073 108.853 108.800 0.210 0.000 2.246 1010 G HA2 -0.266 3.694 3.960 0.001 0.000 0.273 1010 G HA3 -0.266 3.694 3.960 0.001 0.000 0.273 1010 G C -0.017 174.974 174.900 0.152 0.000 1.055 1010 G CA 0.451 45.694 45.100 0.238 0.000 0.851 1010 G HN 0.290 nan 8.290 nan 0.000 0.500 1011 L N -0.902 120.373 121.223 0.087 0.000 2.354 1011 L HA 0.884 5.224 4.340 0.001 0.000 0.264 1011 L C 0.271 177.164 176.870 0.039 0.000 1.008 1011 L CA -0.929 53.942 54.840 0.052 0.000 0.819 1011 L CB 2.520 44.605 42.059 0.044 0.000 1.339 1011 L HN 0.186 nan 8.230 nan 0.000 0.420 1012 T N -0.792 113.777 114.554 0.026 0.000 2.887 1012 T HA 0.296 4.646 4.350 0.001 0.000 0.288 1012 T C 0.758 175.468 174.700 0.016 0.000 1.021 1012 T CA -0.591 61.522 62.100 0.021 0.000 1.000 1012 T CB 1.543 70.420 68.868 0.015 0.000 1.034 1012 T HN 0.620 nan 8.240 nan 0.000 0.467 1013 K N 2.079 122.488 120.400 0.016 0.000 2.127 1013 K HA -0.218 4.102 4.320 0.001 0.000 0.208 1013 K C 2.027 178.630 176.600 0.005 0.000 1.047 1013 K CA 1.713 58.006 56.287 0.011 0.000 0.927 1013 K CB -0.236 32.270 32.500 0.011 0.000 0.716 1013 K HN 0.609 nan 8.250 nan 0.000 0.450 1014 N N 1.061 119.763 118.700 0.004 0.000 2.036 1014 N HA -0.219 4.521 4.740 0.001 0.000 0.195 1014 N C 1.324 176.831 175.510 -0.004 0.000 1.037 1014 N CA 1.521 54.571 53.050 -0.001 0.000 0.855 1014 N CB -0.032 38.454 38.487 -0.002 0.000 1.033 1014 N HN 0.140 nan 8.380 nan 0.000 0.423 1015 D N 0.542 120.940 120.400 -0.004 0.000 2.191 1015 D HA -0.186 4.454 4.640 0.001 0.000 0.195 1015 D C 1.844 178.140 176.300 -0.006 0.000 1.003 1015 D CA 0.970 54.965 54.000 -0.009 0.000 0.867 1015 D CB -0.178 40.618 40.800 -0.006 0.000 0.926 1015 D HN 0.297 nan 8.370 nan 0.000 0.450 1016 L N 0.288 121.510 121.223 -0.001 0.000 2.313 1016 L HA -0.025 4.315 4.340 0.001 0.000 0.214 1016 L C 0.861 177.729 176.870 -0.004 0.000 1.119 1016 L CA 0.595 55.435 54.840 -0.001 0.000 0.809 1016 L CB -0.401 41.657 42.059 -0.002 0.000 0.933 1016 L HN -0.027 nan 8.230 nan 0.000 0.449 1017 Q N -0.060 119.737 119.800 -0.005 0.000 2.453 1017 Q HA -0.259 4.081 4.340 0.001 0.000 0.294 1017 Q C 1.256 177.252 176.000 -0.007 0.000 1.295 1017 Q CA 0.947 56.747 55.803 -0.006 0.000 0.853 1017 Q CB -2.160 26.575 28.738 -0.005 0.000 1.193 1017 Q HN 0.678 nan 8.270 nan 0.000 0.461 1018 G N -2.093 106.702 108.800 -0.009 0.000 2.179 1018 G HA2 -0.279 3.682 3.960 0.001 0.000 0.260 1018 G HA3 -0.279 3.682 3.960 0.001 0.000 0.260 1018 G C 0.399 175.287 174.900 -0.019 0.000 0.977 1018 G CA 0.457 45.549 45.100 -0.012 0.000 0.641 1018 G HN 1.270 nan 8.290 nan 0.000 0.533 1019 A N -0.442 122.365 122.820 -0.021 0.000 2.520 1019 A HA 0.578 4.899 4.320 0.001 0.000 0.235 1019 A C 1.076 178.628 177.584 -0.053 0.000 1.065 1019 A CA 1.453 53.471 52.037 -0.033 0.000 0.764 1019 A CB 0.221 19.205 19.000 -0.026 0.000 1.002 1019 A HN 0.594 nan 8.150 nan 0.000 0.502 1020 Q N 0.237 119.991 119.800 -0.076 0.000 2.126 1020 Q HA 0.285 4.625 4.340 0.001 0.000 0.233 1020 Q C -0.485 175.403 176.000 -0.187 0.000 0.788 1020 Q CA -0.079 55.657 55.803 -0.113 0.000 0.968 1020 Q CB 0.713 29.400 28.738 -0.084 0.000 1.163 1020 Q HN 0.717 nan 8.270 nan 0.000 0.471 1021 L N 0.596 121.722 121.223 -0.162 0.000 2.342 1021 L HA 0.854 5.194 4.340 0.001 0.000 0.271 1021 L C -1.666 175.098 176.870 -0.177 0.000 1.008 1021 L CA -0.625 54.093 54.840 -0.203 0.000 0.818 1021 L CB 1.756 43.742 42.059 -0.122 0.000 1.296 1021 L HN -0.060 nan 8.230 nan 0.000 0.427 1022 A N 5.310 128.004 122.820 -0.211 0.000 2.422 1022 A HA 0.665 4.985 4.320 0.001 0.000 0.302 1022 A C -1.130 176.466 177.584 0.020 0.000 1.041 1022 A CA -0.503 51.493 52.037 -0.068 0.000 0.708 1022 A CB 1.127 20.114 19.000 -0.022 0.000 1.257 1022 A HN 0.643 nan 8.150 nan 0.000 0.414 1023 I N 3.042 123.639 120.570 0.044 0.000 2.304 1023 I HA 0.324 4.495 4.170 0.001 0.000 0.291 1023 I C -0.073 176.094 176.117 0.083 0.000 1.018 1023 I CA -0.688 60.645 61.300 0.054 0.000 1.260 1023 I CB 1.662 39.678 38.000 0.027 0.000 1.390 1023 I HN 0.478 nan 8.210 nan 0.000 0.475 1024 V N 6.063 126.038 119.914 0.102 0.000 2.239 1024 V HA 0.470 4.590 4.120 0.001 0.000 0.267 1024 V C -2.395 173.738 176.094 0.066 0.000 1.056 1024 V CA -1.897 60.465 62.300 0.102 0.000 0.830 1024 V CB 0.144 32.044 31.823 0.128 0.000 1.090 1024 V HN 0.470 nan 8.190 nan 0.000 0.459 1025 P HA 0.291 nan 4.420 nan 0.000 0.276 1025 P C 0.938 178.261 177.300 0.038 0.000 1.252 1025 P CA 0.248 63.367 63.100 0.031 0.000 0.802 1025 P CB 1.934 33.642 31.700 0.014 0.000 1.035 1026 G N 0.124 108.938 108.800 0.024 0.000 2.453 1026 G HA2 -0.068 3.892 3.960 0.001 0.000 0.215 1026 G HA3 -0.068 3.892 3.960 0.001 0.000 0.215 1026 G C 0.353 175.261 174.900 0.014 0.000 1.147 1026 G CA 0.360 45.474 45.100 0.024 0.000 0.802 1026 G HN 0.527 nan 8.290 nan 0.000 0.535 1027 D N 0.570 120.972 120.400 0.004 0.000 2.295 1027 D HA 0.214 4.855 4.640 0.001 0.000 0.248 1027 D C -1.087 175.211 176.300 -0.003 0.000 1.154 1027 D CA -2.430 51.565 54.000 -0.008 0.000 0.857 1027 D CB 2.247 43.037 40.800 -0.016 0.000 1.117 1027 D HN 0.022 nan 8.370 nan 0.000 0.468 1028 P HA -0.108 nan 4.420 nan 0.000 0.222 1028 P C 0.507 177.808 177.300 0.002 0.000 1.147 1028 P CA 0.944 64.054 63.100 0.016 0.000 0.790 1028 P CB 0.446 32.151 31.700 0.009 0.000 0.780 1029 E N -0.335 119.854 120.200 -0.017 0.000 2.358 1029 E HA -0.057 4.294 4.350 0.001 0.000 0.195 1029 E C 2.272 178.830 176.600 -0.070 0.000 1.010 1029 E CA 0.164 56.543 56.400 -0.034 0.000 0.856 1029 E CB -0.240 29.443 29.700 -0.029 0.000 0.795 1029 E HN 0.194 nan 8.360 nan 0.000 0.504 1030 R N 0.812 121.275 120.500 -0.062 0.000 2.200 1030 R HA -0.046 4.294 4.340 0.001 0.000 0.208 1030 R C 1.993 178.216 176.300 -0.128 0.000 1.033 1030 R CA 0.308 56.360 56.100 -0.080 0.000 1.000 1030 R CB 0.108 30.380 30.300 -0.047 0.000 0.906 1030 R HN 0.008 nan 8.270 nan 0.000 0.462 1031 V N 1.470 121.312 119.914 -0.121 0.000 2.250 1031 V HA -0.340 3.781 4.120 0.001 0.000 0.250 1031 V C 2.284 178.112 176.094 -0.444 0.000 1.060 1031 V CA 2.468 64.666 62.300 -0.171 0.000 1.030 1031 V CB -0.609 31.182 31.823 -0.052 0.000 0.643 1031 V HN 0.498 nan 8.190 nan 0.000 0.445 1032 E N -0.031 119.767 120.200 -0.670 0.000 2.077 1032 E HA -0.253 4.097 4.350 0.001 0.000 0.193 1032 E C 2.286 178.522 176.600 -0.607 0.000 0.989 1032 E CA 1.380 57.124 56.400 -1.093 0.000 0.800 1032 E CB -0.070 29.093 29.700 -0.896 0.000 0.746 1032 E HN 0.611 nan 8.360 nan 0.000 0.452 1033 K N 0.231 120.422 120.400 -0.348 0.000 2.063 1033 K HA -0.163 4.157 4.320 0.001 0.000 0.208 1033 K C 2.203 178.695 176.600 -0.180 0.000 1.048 1033 K CA 1.649 57.808 56.287 -0.214 0.000 0.928 1033 K CB -0.177 32.240 32.500 -0.138 0.000 0.713 1033 K HN 0.247 nan 8.250 nan 0.000 0.442 1034 I N 0.834 121.299 120.570 -0.175 0.000 2.202 1034 I HA -0.252 3.919 4.170 0.001 0.000 0.242 1034 I C 2.482 178.534 176.117 -0.110 0.000 1.091 1034 I CA 1.118 62.350 61.300 -0.113 0.000 1.368 1034 I CB -0.379 37.572 38.000 -0.082 0.000 1.058 1034 I HN 0.144 nan 8.210 nan 0.000 0.410 1035 A N 0.673 123.392 122.820 -0.168 0.000 2.019 1035 A HA -0.060 4.261 4.320 0.001 0.000 0.219 1035 A C 2.412 179.949 177.584 -0.079 0.000 1.164 1035 A CA 1.516 53.498 52.037 -0.093 0.000 0.644 1035 A CB -0.657 18.297 19.000 -0.076 0.000 0.805 1035 A HN 0.435 nan 8.150 nan 0.000 0.449 1036 A N -0.637 122.092 122.820 -0.152 0.000 2.209 1036 A HA 0.188 4.509 4.320 0.001 0.000 0.212 1036 A C 1.688 179.242 177.584 -0.049 0.000 1.158 1036 A CA 0.755 52.736 52.037 -0.095 0.000 0.742 1036 A CB -0.392 18.530 19.000 -0.130 0.000 0.790 1036 A HN 0.457 nan 8.150 nan 0.000 0.472 1037 L N -1.213 119.982 121.223 -0.047 0.000 2.592 1037 L HA 0.222 4.562 4.340 0.001 0.000 0.227 1037 L C 0.767 177.630 176.870 -0.012 0.000 1.127 1037 L CA 0.075 54.899 54.840 -0.027 0.000 0.884 1037 L CB -0.382 41.661 42.059 -0.027 0.000 1.065 1037 L HN 0.451 nan 8.230 nan 0.000 0.457 1038 M N -1.517 118.081 119.600 -0.003 0.000 2.758 1038 M HA 0.358 4.839 4.480 0.001 0.000 0.281 1038 M C -0.863 175.451 176.300 0.023 0.000 1.082 1038 M CA -0.744 54.563 55.300 0.011 0.000 0.866 1038 M CB 1.425 34.037 32.600 0.019 0.000 1.662 1038 M HN -0.181 nan 8.290 nan 0.000 0.515 1039 D N 1.558 121.975 120.400 0.028 0.000 2.168 1039 D HA 0.229 4.869 4.640 0.001 0.000 0.246 1039 D C -0.640 175.688 176.300 0.047 0.000 1.050 1039 D CA -0.079 53.941 54.000 0.032 0.000 0.857 1039 D CB 1.195 42.008 40.800 0.021 0.000 1.169 1039 D HN 0.365 nan 8.370 nan 0.000 0.453 1040 K N -0.275 120.157 120.400 0.053 0.000 3.244 1040 K HA -0.125 4.195 4.320 0.001 0.000 0.270 1040 K C -2.596 174.065 176.600 0.101 0.000 1.016 1040 K CA 0.042 56.366 56.287 0.062 0.000 0.754 1040 K CB -2.323 30.200 32.500 0.039 0.000 1.326 1040 K HN 0.364 nan 8.250 nan 0.000 0.465 1041 P HA 0.207 nan 4.420 nan 0.000 0.271 1041 P C -0.378 177.103 177.300 0.301 0.000 1.216 1041 P CA -0.419 62.868 63.100 0.312 0.000 0.771 1041 P CB 1.103 33.021 31.700 0.363 0.000 0.864 1042 V N 3.618 123.639 119.914 0.177 0.000 2.668 1042 V HA 0.290 4.410 4.120 0.001 0.000 0.304 1042 V C -0.534 175.112 176.094 -0.747 0.000 1.071 1042 V CA -1.048 61.101 62.300 -0.252 0.000 0.894 1042 V CB 1.737 33.474 31.823 -0.143 0.000 1.008 1042 V HN 0.389 nan 8.190 nan 0.000 0.425 1043 K N 5.418 124.902 120.400 -1.526 0.000 2.379 1043 K HA 0.329 4.649 4.320 0.001 0.000 0.284 1043 K C 0.334 176.504 176.600 -0.716 0.000 1.044 1043 K CA -0.153 55.085 56.287 -1.748 0.000 0.974 1043 K CB 0.937 32.565 32.500 -1.453 0.000 0.962 1043 K HN 0.785 nan 8.250 nan 0.000 0.474 1044 L N 2.987 123.924 121.223 -0.476 0.000 2.185 1044 L HA 0.267 4.608 4.340 0.001 0.000 0.198 1044 L C 0.672 177.429 176.870 -0.189 0.000 1.079 1044 L CA 0.461 55.161 54.840 -0.233 0.000 0.780 1044 L CB 0.068 42.057 42.059 -0.115 0.000 0.955 1044 L HN 0.775 nan 8.230 nan 0.000 0.462 1045 A N -1.428 121.283 122.820 -0.182 0.000 2.564 1045 A HA 0.638 4.959 4.320 0.001 0.000 0.291 1045 A C -1.233 176.200 177.584 -0.252 0.000 1.102 1045 A CA -0.280 51.618 52.037 -0.231 0.000 0.660 1045 A CB 1.636 20.509 19.000 -0.213 0.000 1.283 1045 A HN -0.136 nan 8.150 nan 0.000 0.430 1046 S N 0.316 115.729 115.700 -0.478 0.000 2.706 1046 S HA 0.614 5.084 4.470 0.001 0.000 0.270 1046 S C -1.987 172.348 174.600 -0.442 0.000 1.163 1046 S CA -0.496 57.522 58.200 -0.303 0.000 1.042 1046 S CB 0.282 63.417 63.200 -0.108 0.000 1.079 1046 S HN 0.761 nan 8.310 nan 0.000 0.474 1047 H N 3.630 122.763 119.070 0.106 0.000 2.840 1047 H HA 0.575 5.132 4.556 0.001 0.000 0.340 1047 H C 0.582 175.954 175.328 0.073 0.000 1.004 1047 H CA -0.372 55.729 56.048 0.088 0.000 1.288 1047 H CB 1.400 31.226 29.762 0.107 0.000 1.607 1047 H HN 0.804 nan 8.280 nan 0.000 0.522 1048 R N 0.488 121.043 120.500 0.091 0.000 3.878 1048 R HA -0.203 4.137 4.340 0.001 0.000 0.446 1048 R C 1.036 177.210 176.300 -0.209 0.000 0.241 1048 R CA 1.635 57.683 56.100 -0.085 0.000 1.411 1048 R CB -0.697 29.517 30.300 -0.144 0.000 1.019 1048 R HN 0.762 nan 8.270 nan 0.000 0.555 1049 E N 2.105 122.006 120.200 -0.499 0.000 2.463 1049 E HA -0.017 4.333 4.350 0.001 0.000 0.191 1049 E C -0.119 176.275 176.600 -0.343 0.000 1.083 1049 E CA 0.770 56.920 56.400 -0.416 0.000 0.872 1049 E CB -0.061 29.383 29.700 -0.428 0.000 0.966 1049 E HN 0.372 nan 8.360 nan 0.000 0.491 1050 F N 1.627 121.610 119.950 0.054 0.000 2.309 1050 F HA 0.279 4.807 4.527 0.001 0.000 0.366 1050 F C 0.207 176.027 175.800 0.033 0.000 1.104 1050 F CA -0.728 57.305 58.000 0.055 0.000 1.179 1050 F CB 1.194 40.245 39.000 0.084 0.000 1.437 1050 F HN -0.301 nan 8.300 nan 0.000 0.528 1051 T N 1.978 116.650 114.554 0.197 0.000 2.771 1051 T HA 0.424 4.774 4.350 0.001 0.000 0.281 1051 T C -0.206 174.621 174.700 0.211 0.000 0.982 1051 T CA -0.711 61.484 62.100 0.159 0.000 0.978 1051 T CB 1.119 70.081 68.868 0.156 0.000 0.930 1051 T HN 0.531 nan 8.240 nan 0.000 0.447 1052 S N 2.381 118.194 115.700 0.189 0.000 2.513 1052 S HA 0.804 5.274 4.470 0.001 0.000 0.299 1052 S C -1.574 173.171 174.600 0.241 0.000 1.087 1052 S CA -0.978 57.346 58.200 0.206 0.000 1.012 1052 S CB 1.360 64.627 63.200 0.112 0.000 1.044 1052 S HN 0.664 nan 8.310 nan 0.000 0.485 1053 W N 0.889 122.193 121.300 0.008 0.000 2.950 1053 W HA 0.682 5.342 4.660 0.001 0.000 0.340 1053 W C 0.005 176.525 176.519 0.002 0.000 1.139 1053 W CA -0.739 56.606 57.345 0.001 0.000 1.188 1053 W CB 2.047 31.508 29.460 0.001 0.000 1.426 1053 W HN 0.844 nan 8.180 nan 0.000 0.531 1054 R N 1.658 122.271 120.500 0.189 0.000 2.740 1054 R HA 0.916 5.257 4.340 0.001 0.000 0.282 1054 R C -0.873 175.515 176.300 0.146 0.000 0.969 1054 R CA -0.409 55.762 56.100 0.118 0.000 0.918 1054 R CB 1.671 31.994 30.300 0.037 0.000 1.175 1054 R HN 0.616 nan 8.270 nan 0.000 0.464 1055 A N 2.547 125.431 122.820 0.106 0.000 2.568 1055 A HA 0.497 4.817 4.320 0.001 0.000 0.291 1055 A C -1.617 175.998 177.584 0.051 0.000 1.159 1055 A CA -0.808 51.285 52.037 0.093 0.000 0.679 1055 A CB 1.667 20.730 19.000 0.104 0.000 1.285 1055 A HN 0.734 nan 8.150 nan 0.000 0.428 1056 E N -0.423 119.801 120.200 0.040 0.000 2.187 1056 E HA 0.520 4.870 4.350 0.001 0.000 0.268 1056 E C -1.856 174.754 176.600 0.016 0.000 0.896 1056 E CA -0.682 55.731 56.400 0.023 0.000 0.766 1056 E CB 2.355 32.066 29.700 0.019 0.000 1.142 1056 E HN 0.359 nan 8.360 nan 0.000 0.408 1057 L N 3.925 125.153 121.223 0.008 0.000 2.353 1057 L HA 0.307 4.647 4.340 0.001 0.000 0.270 1057 L C -1.070 175.799 176.870 -0.001 0.000 1.003 1057 L CA -0.180 54.661 54.840 0.002 0.000 0.862 1057 L CB 0.595 42.653 42.059 -0.002 0.000 1.221 1057 L HN 0.473 nan 8.230 nan 0.000 0.430 1058 D N 4.348 124.748 120.400 -0.000 0.000 2.723 1058 D HA -0.183 4.457 4.640 0.001 0.000 0.236 1058 D C 1.191 177.490 176.300 -0.001 0.000 1.138 1058 D CA 1.606 55.605 54.000 -0.002 0.000 0.676 1058 D CB -1.123 39.674 40.800 -0.004 0.000 1.069 1058 D HN 1.159 nan 8.370 nan 0.000 0.430 1059 G N -1.619 107.181 108.800 0.001 0.000 2.253 1059 G HA2 -0.344 3.616 3.960 0.001 0.000 0.251 1059 G HA3 -0.344 3.616 3.960 0.001 0.000 0.251 1059 G C 0.317 175.217 174.900 -0.001 0.000 0.998 1059 G CA 0.589 45.689 45.100 0.001 0.000 0.621 1059 G HN 0.352 nan 8.290 nan 0.000 0.524 1060 K N 1.004 121.402 120.400 -0.003 0.000 2.118 1060 K HA 0.760 5.081 4.320 0.001 0.000 0.267 1060 K C 0.485 177.083 176.600 -0.003 0.000 0.991 1060 K CA 0.062 56.345 56.287 -0.006 0.000 0.916 1060 K CB 1.476 33.970 32.500 -0.011 0.000 1.041 1060 K HN 0.729 nan 8.250 nan 0.000 0.455 1061 A N 1.986 124.803 122.820 -0.005 0.000 2.450 1061 A HA 0.416 4.736 4.320 0.001 0.000 0.255 1061 A C -0.303 177.278 177.584 -0.006 0.000 1.096 1061 A CA -0.348 51.689 52.037 -0.001 0.000 0.778 1061 A CB 0.216 19.214 19.000 -0.003 0.000 1.031 1061 A HN 0.360 nan 8.150 nan 0.000 0.494 1062 V N 4.461 124.379 119.914 0.006 0.000 2.760 1062 V HA 0.356 4.476 4.120 0.001 0.000 0.309 1062 V C -0.465 175.643 176.094 0.024 0.000 1.077 1062 V CA -0.616 61.685 62.300 0.002 0.000 0.910 1062 V CB 1.821 33.645 31.823 0.002 0.000 1.008 1062 V HN 0.766 nan 8.190 nan 0.000 0.424 1063 I N 4.085 124.664 120.570 0.016 0.000 2.498 1063 I HA 0.556 4.726 4.170 0.001 0.000 0.301 1063 I C -0.368 175.787 176.117 0.064 0.000 0.984 1063 I CA -0.584 60.744 61.300 0.047 0.000 1.204 1063 I CB 1.975 39.995 38.000 0.033 0.000 1.362 1063 I HN 0.263 nan 8.210 nan 0.000 0.471 1064 V N 4.890 124.868 119.914 0.107 0.000 2.447 1064 V HA 0.322 4.443 4.120 0.001 0.000 0.292 1064 V C -0.617 175.561 176.094 0.139 0.000 1.021 1064 V CA -0.477 61.886 62.300 0.105 0.000 0.850 1064 V CB 2.052 33.928 31.823 0.088 0.000 1.005 1064 V HN 0.901 nan 8.190 nan 0.000 0.426 1065 C N 5.311 124.688 119.300 0.127 0.000 2.431 1065 C HA 0.741 5.202 4.460 0.001 0.000 0.321 1065 C C 0.720 175.799 174.990 0.148 0.000 1.202 1065 C CA -0.364 58.743 59.018 0.148 0.000 1.398 1065 C CB 1.121 28.943 27.740 0.137 0.000 2.047 1065 C HN 1.020 nan 8.230 nan 0.000 0.465 1066 S N 3.363 119.161 115.700 0.163 0.000 2.584 1066 S HA 0.379 4.849 4.470 0.001 0.000 0.270 1066 S C 0.871 175.611 174.600 0.233 0.000 1.346 1066 S CA 0.425 58.714 58.200 0.148 0.000 1.018 1066 S CB 1.157 64.423 63.200 0.111 0.000 0.899 1066 S HN 1.102 nan 8.310 nan 0.000 0.542 1067 T N -2.817 111.846 114.554 0.182 0.000 2.975 1067 T HA 0.539 4.889 4.350 0.001 0.000 0.261 1067 T C 1.024 175.822 174.700 0.163 0.000 0.984 1067 T CA 0.426 62.673 62.100 0.245 0.000 0.911 1067 T CB -0.658 68.288 68.868 0.131 0.000 1.127 1067 T HN 2.039 nan 8.240 nan 0.000 0.514 1068 G N 1.594 110.420 108.800 0.044 0.000 2.829 1068 G HA2 -0.094 3.866 3.960 0.001 0.000 0.628 1068 G HA3 -0.094 3.866 3.960 0.001 0.000 0.628 1068 G C -0.589 174.308 174.900 -0.004 0.000 1.412 1068 G CA -0.527 44.550 45.100 -0.037 0.000 0.864 1068 G HN 0.657 nan 8.290 nan 0.000 0.544 1069 I N 1.911 122.469 120.570 -0.020 0.000 2.474 1069 I HA 0.523 4.693 4.170 0.001 0.000 0.287 1069 I C 1.183 177.303 176.117 0.005 0.000 1.048 1069 I CA 1.154 62.453 61.300 -0.002 0.000 1.383 1069 I CB 0.805 38.801 38.000 -0.008 0.000 1.412 1069 I HN 2.042 nan 8.210 nan 0.000 0.531 1070 G N 3.742 112.550 108.800 0.013 0.000 2.663 1070 G HA2 -0.079 3.881 3.960 0.001 0.000 0.686 1070 G HA3 -0.079 3.881 3.960 0.001 0.000 0.686 1070 G C 0.492 175.399 174.900 0.012 0.000 1.246 1070 G CA -0.447 44.660 45.100 0.011 0.000 0.795 1070 G HN 0.955 nan 8.290 nan 0.000 0.627 1071 G N 0.120 108.922 108.800 0.003 0.000 2.408 1071 G HA2 0.154 4.114 3.960 0.001 0.000 0.217 1071 G HA3 0.154 4.114 3.960 0.001 0.000 0.217 1071 G C 0.088 174.996 174.900 0.013 0.000 1.150 1071 G CA 1.915 47.015 45.100 -0.000 0.000 0.776 1071 G HN 0.665 nan 8.290 nan 0.000 0.542 1072 P HA -0.074 nan 4.420 nan 0.000 0.214 1072 P C 2.311 179.647 177.300 0.060 0.000 1.163 1072 P CA 1.792 64.906 63.100 0.023 0.000 0.883 1072 P CB -0.084 31.626 31.700 0.016 0.000 0.788 1073 S N -1.164 114.585 115.700 0.081 0.000 2.368 1073 S HA -0.131 4.339 4.470 0.001 0.000 0.225 1073 S C 1.941 176.664 174.600 0.205 0.000 1.030 1073 S CA 1.835 60.147 58.200 0.187 0.000 0.999 1073 S CB -1.476 61.792 63.200 0.112 0.000 0.844 1073 S HN 0.270 nan 8.310 nan 0.000 0.459 1074 T N 2.154 116.765 114.554 0.096 0.000 2.746 1074 T HA -0.122 4.229 4.350 0.001 0.000 0.267 1074 T C 2.320 176.998 174.700 -0.037 0.000 1.039 1074 T CA 1.559 63.677 62.100 0.030 0.000 1.142 1074 T CB -0.512 68.349 68.868 -0.011 0.000 0.866 1074 T HN 0.636 nan 8.240 nan 0.000 0.444 1075 S N 1.224 116.922 115.700 -0.003 0.000 2.382 1075 S HA -0.062 4.408 4.470 0.001 0.000 0.228 1075 S C 2.074 176.665 174.600 -0.014 0.000 1.027 1075 S CA 0.851 59.061 58.200 0.017 0.000 0.991 1075 S CB -0.714 62.595 63.200 0.181 0.000 0.823 1075 S HN 0.522 nan 8.310 nan 0.000 0.469 1076 I N 2.075 122.619 120.570 -0.044 0.000 2.163 1076 I HA -0.086 4.085 4.170 0.001 0.000 0.240 1076 I C 3.166 179.132 176.117 -0.251 0.000 1.081 1076 I CA 1.061 62.266 61.300 -0.158 0.000 1.353 1076 I CB -0.842 36.984 38.000 -0.291 0.000 1.054 1076 I HN 0.446 nan 8.210 nan 0.000 0.407 1077 A N 0.660 123.288 122.820 -0.319 0.000 1.873 1077 A HA -0.195 4.125 4.320 0.001 0.000 0.218 1077 A C 2.415 179.903 177.584 -0.161 0.000 1.193 1077 A CA 2.238 54.089 52.037 -0.310 0.000 0.629 1077 A CB -1.132 17.778 19.000 -0.149 0.000 0.826 1077 A HN 0.257 nan 8.150 nan 0.000 0.447 1078 V N 0.160 119.944 119.914 -0.216 0.000 2.343 1078 V HA -0.238 3.882 4.120 0.001 0.000 0.247 1078 V C 2.619 178.590 176.094 -0.206 0.000 1.051 1078 V CA 2.449 64.515 62.300 -0.390 0.000 1.036 1078 V CB -0.815 30.598 31.823 -0.683 0.000 0.654 1078 V HN 0.774 nan 8.190 nan 0.000 0.451 1079 E N 1.072 121.194 120.200 -0.130 0.000 2.031 1079 E HA -0.240 4.110 4.350 0.001 0.000 0.193 1079 E C 2.088 178.701 176.600 0.022 0.000 0.994 1079 E CA 2.012 58.398 56.400 -0.023 0.000 0.800 1079 E CB -0.340 29.383 29.700 0.037 0.000 0.752 1079 E HN 0.679 nan 8.360 nan 0.000 0.447 1080 E N -0.002 120.198 120.200 -0.001 0.000 2.106 1080 E HA -0.111 4.239 4.350 0.001 0.000 0.192 1080 E C 2.321 178.952 176.600 0.051 0.000 0.984 1080 E CA 0.981 57.396 56.400 0.026 0.000 0.806 1080 E CB -0.156 29.542 29.700 -0.003 0.000 0.750 1080 E HN 0.310 nan 8.360 nan 0.000 0.458 1081 L N 0.687 121.953 121.223 0.073 0.000 2.083 1081 L HA -0.166 4.175 4.340 0.001 0.000 0.209 1081 L C 2.575 179.552 176.870 0.179 0.000 1.083 1081 L CA 0.923 55.851 54.840 0.146 0.000 0.752 1081 L CB -0.416 41.813 42.059 0.284 0.000 0.899 1081 L HN 0.139 nan 8.230 nan 0.000 0.433 1082 A N -0.652 122.308 122.820 0.233 0.000 1.930 1082 A HA -0.232 4.088 4.320 0.001 0.000 0.217 1082 A C 2.214 179.863 177.584 0.109 0.000 1.175 1082 A CA 1.340 53.508 52.037 0.217 0.000 0.627 1082 A CB -0.396 18.732 19.000 0.214 0.000 0.815 1082 A HN 0.446 nan 8.150 nan 0.000 0.443 1083 Q N -0.590 119.262 119.800 0.087 0.000 2.124 1083 Q HA -0.069 4.271 4.340 0.001 0.000 0.202 1083 Q C 1.833 177.865 176.000 0.052 0.000 0.977 1083 Q CA 1.246 57.087 55.803 0.063 0.000 0.850 1083 Q CB -0.273 28.501 28.738 0.061 0.000 0.901 1083 Q HN 0.684 nan 8.270 nan 0.000 0.429 1084 L N -1.492 119.764 121.223 0.055 0.000 2.376 1084 L HA -0.019 4.322 4.340 0.001 0.000 0.219 1084 L C 1.410 178.295 176.870 0.025 0.000 1.133 1084 L CA 0.854 55.717 54.840 0.039 0.000 0.816 1084 L CB 0.084 42.167 42.059 0.039 0.000 0.933 1084 L HN 0.478 nan 8.230 nan 0.000 0.449 1085 G N -1.155 107.660 108.800 0.026 0.000 2.551 1085 G HA2 -0.155 3.806 3.960 0.001 0.000 0.186 1085 G HA3 -0.155 3.806 3.960 0.001 0.000 0.186 1085 G C 0.296 175.179 174.900 -0.029 0.000 1.002 1085 G CA -0.652 44.450 45.100 0.003 0.000 0.723 1085 G HN -0.002 nan 8.290 nan 0.000 0.481 1086 I N 1.313 121.854 120.570 -0.048 0.000 2.815 1086 I HA 0.233 4.403 4.170 0.001 0.000 0.291 1086 I C 1.387 177.372 176.117 -0.220 0.000 1.209 1086 I CA 0.608 61.789 61.300 -0.198 0.000 1.431 1086 I CB 0.770 38.581 38.000 -0.315 0.000 1.351 1086 I HN 0.156 nan 8.210 nan 0.000 0.585 1087 R N 2.531 122.835 120.500 -0.327 0.000 2.507 1087 R HA 0.184 4.524 4.340 0.001 0.000 0.230 1087 R C -0.191 175.943 176.300 -0.276 0.000 0.897 1087 R CA 0.271 56.257 56.100 -0.191 0.000 1.006 1087 R CB 0.430 30.677 30.300 -0.089 0.000 1.341 1087 R HN 0.564 nan 8.270 nan 0.000 0.604 1088 T N 1.521 115.773 114.554 -0.504 0.000 2.841 1088 T HA 0.616 4.967 4.350 0.001 0.000 0.285 1088 T C -0.943 173.407 174.700 -0.582 0.000 0.991 1088 T CA -0.310 61.575 62.100 -0.358 0.000 0.966 1088 T CB 1.292 70.055 68.868 -0.174 0.000 0.962 1088 T HN -0.168 nan 8.240 nan 0.000 0.438 1089 F N 2.385 122.325 119.950 -0.016 0.000 2.507 1089 F HA 0.599 5.126 4.527 0.000 0.000 0.325 1089 F C -0.239 175.550 175.800 -0.017 0.000 1.116 1089 F CA -1.147 56.843 58.000 -0.017 0.000 0.930 1089 F CB 1.350 40.335 39.000 -0.026 0.000 1.146 1089 F HN 0.193 nan 8.300 nan 0.000 0.447 1090 L N 4.319 125.627 121.223 0.142 0.000 2.319 1090 L HA 0.532 4.872 4.340 0.001 0.000 0.281 1090 L C -0.201 176.712 176.870 0.073 0.000 1.005 1090 L CA -0.853 54.032 54.840 0.076 0.000 0.828 1090 L CB 1.490 43.566 42.059 0.028 0.000 1.227 1090 L HN 0.495 nan 8.230 nan 0.000 0.415 1091 R N 4.638 125.170 120.500 0.053 0.000 2.207 1091 R HA 0.422 4.763 4.340 0.001 0.000 0.334 1091 R C -0.989 175.320 176.300 0.016 0.000 1.013 1091 R CA -0.476 55.645 56.100 0.035 0.000 0.858 1091 R CB 1.238 31.550 30.300 0.020 0.000 1.094 1091 R HN 0.467 nan 8.270 nan 0.000 0.457 1092 I N 3.921 124.500 120.570 0.014 0.000 2.382 1092 I HA 0.549 4.719 4.170 0.001 0.000 0.286 1092 I C -0.608 175.510 176.117 0.002 0.000 1.002 1092 I CA -0.118 61.184 61.300 0.002 0.000 1.135 1092 I CB 1.197 39.196 38.000 -0.001 0.000 1.288 1092 I HN 0.687 nan 8.210 nan 0.000 0.448 1093 G N 5.032 113.831 108.800 -0.002 0.000 2.921 1093 G HA2 0.674 4.635 3.960 0.001 0.000 0.291 1093 G HA3 0.674 4.635 3.960 0.001 0.000 0.291 1093 G C -0.926 173.973 174.900 -0.001 0.000 1.370 1093 G CA -0.364 44.737 45.100 0.001 0.000 0.847 1093 G HN 0.604 nan 8.290 nan 0.000 0.532 1094 T N -2.858 111.700 114.554 0.007 0.000 2.940 1094 T HA 0.770 5.120 4.350 0.001 0.000 0.288 1094 T C -0.205 174.503 174.700 0.013 0.000 1.033 1094 T CA -0.400 61.707 62.100 0.010 0.000 1.033 1094 T CB 2.027 70.907 68.868 0.021 0.000 1.079 1094 T HN 1.076 nan 8.240 nan 0.000 0.496 1095 T N -0.904 113.655 114.554 0.008 0.000 2.769 1095 T HA 0.644 4.994 4.350 0.001 0.000 0.306 1095 T C -0.895 173.803 174.700 -0.003 0.000 1.400 1095 T CA -0.394 61.707 62.100 0.002 0.000 1.007 1095 T CB 1.273 70.134 68.868 -0.013 0.000 1.392 1095 T HN 1.191 nan 8.240 nan 0.000 0.500 1096 G N 1.437 110.235 108.800 -0.003 0.000 2.522 1096 G HA2 0.652 4.613 3.960 0.001 0.000 0.318 1096 G HA3 0.652 4.613 3.960 0.001 0.000 0.318 1096 G C 0.132 175.035 174.900 0.005 0.000 1.192 1096 G CA -0.074 45.025 45.100 -0.001 0.000 0.988 1096 G HN 0.995 nan 8.290 nan 0.000 0.480 1097 A N 2.392 125.193 122.820 -0.031 0.000 2.445 1097 A HA 0.496 4.816 4.320 0.001 0.000 0.242 1097 A C 1.196 178.748 177.584 -0.053 0.000 1.075 1097 A CA -0.143 51.850 52.037 -0.075 0.000 0.777 1097 A CB 0.185 19.117 19.000 -0.112 0.000 1.013 1097 A HN 1.317 nan 8.150 nan 0.000 0.493 1098 I N -2.264 118.255 120.570 -0.086 0.000 4.240 1098 I HA 0.233 4.404 4.170 0.001 0.000 0.331 1098 I C -0.166 175.932 176.117 -0.032 0.000 1.381 1098 I CA -0.302 60.973 61.300 -0.042 0.000 1.136 1098 I CB 0.186 38.142 38.000 -0.074 0.000 1.137 1098 I HN 0.341 nan 8.210 nan 0.000 0.411 1099 Q N 2.195 121.950 119.800 -0.075 0.000 2.241 1099 Q HA 0.365 4.706 4.340 0.001 0.000 0.254 1099 Q C -1.880 174.105 176.000 -0.025 0.000 0.917 1099 Q CA -1.980 53.813 55.803 -0.016 0.000 0.919 1099 Q CB 1.707 30.425 28.738 -0.034 0.000 1.237 1099 Q HN 0.009 nan 8.270 nan 0.000 0.434 1100 P HA -0.171 nan 4.420 nan 0.000 0.218 1100 P C 0.892 178.224 177.300 0.054 0.000 1.148 1100 P CA 1.403 64.534 63.100 0.052 0.000 0.822 1100 P CB 0.120 31.861 31.700 0.068 0.000 0.784 1101 H N -1.390 117.643 119.070 -0.062 0.000 2.555 1101 H HA 0.105 4.662 4.556 0.001 0.000 0.269 1101 H C 0.456 175.711 175.328 -0.122 0.000 0.988 1101 H CA 0.185 56.195 56.048 -0.064 0.000 1.178 1101 H CB -0.844 28.891 29.762 -0.045 0.000 1.373 1101 H HN 0.149 nan 8.280 nan 0.000 0.588 1102 I N 2.725 122.951 120.570 -0.574 0.000 2.304 1102 I HA 0.124 4.294 4.170 0.001 0.000 0.291 1102 I C -0.279 175.712 176.117 -0.211 0.000 1.018 1102 I CA -0.366 60.604 61.300 -0.550 0.000 1.260 1102 I CB 0.749 38.352 38.000 -0.662 0.000 1.390 1102 I HN 0.109 nan 8.210 nan 0.000 0.475 1103 N N 4.301 122.945 118.700 -0.093 0.000 2.476 1103 N HA 0.365 5.105 4.740 0.001 0.000 0.275 1103 N C -0.555 174.946 175.510 -0.015 0.000 1.190 1103 N CA -0.830 52.202 53.050 -0.030 0.000 0.977 1103 N CB 1.588 40.082 38.487 0.012 0.000 1.200 1103 N HN 0.225 nan 8.380 nan 0.000 0.515 1104 V N 1.017 120.929 119.914 -0.003 0.000 2.694 1104 V HA 0.147 4.268 4.120 0.001 0.000 0.306 1104 V C 1.394 177.504 176.094 0.026 0.000 1.054 1104 V CA 1.619 63.924 62.300 0.008 0.000 1.161 1104 V CB 0.317 32.148 31.823 0.013 0.000 0.916 1104 V HN 1.076 nan 8.190 nan 0.000 0.490 1105 G N 3.575 112.394 108.800 0.031 0.000 2.213 1105 G HA2 -0.188 3.773 3.960 0.001 0.000 0.236 1105 G HA3 -0.188 3.773 3.960 0.001 0.000 0.236 1105 G C -0.031 174.895 174.900 0.043 0.000 0.991 1105 G CA 0.077 45.216 45.100 0.065 0.000 0.629 1105 G HN 0.681 nan 8.290 nan 0.000 0.517 1106 D N 0.128 120.538 120.400 0.016 0.000 2.357 1106 D HA 0.488 5.128 4.640 0.001 0.000 0.242 1106 D C 0.548 176.814 176.300 -0.058 0.000 1.153 1106 D CA 0.073 54.075 54.000 0.004 0.000 0.918 1106 D CB 1.622 42.469 40.800 0.079 0.000 1.181 1106 D HN 0.211 nan 8.370 nan 0.000 0.435 1107 V N 2.232 122.087 119.914 -0.098 0.000 2.435 1107 V HA 0.366 4.487 4.120 0.001 0.000 0.290 1107 V C -0.028 176.037 176.094 -0.048 0.000 1.030 1107 V CA -0.698 61.526 62.300 -0.126 0.000 0.881 1107 V CB 1.158 32.846 31.823 -0.224 0.000 0.983 1107 V HN 0.269 nan 8.190 nan 0.000 0.445 1108 L N 5.448 126.649 121.223 -0.037 0.000 2.349 1108 L HA 0.636 4.976 4.340 0.001 0.000 0.278 1108 L C -0.649 176.205 176.870 -0.026 0.000 0.996 1108 L CA -0.753 54.080 54.840 -0.012 0.000 0.825 1108 L CB 1.961 44.011 42.059 -0.016 0.000 1.243 1108 L HN 0.323 nan 8.230 nan 0.000 0.412 1109 V N 1.784 121.685 119.914 -0.021 0.000 2.472 1109 V HA 0.420 4.540 4.120 0.001 0.000 0.290 1109 V C 0.261 176.343 176.094 -0.020 0.000 1.037 1109 V CA -0.295 61.988 62.300 -0.027 0.000 0.908 1109 V CB 1.970 33.771 31.823 -0.036 0.000 0.985 1109 V HN 0.746 nan 8.190 nan 0.000 0.454 1110 T N 2.692 117.233 114.554 -0.022 0.000 2.771 1110 T HA 0.295 4.645 4.350 0.001 0.000 0.281 1110 T C 1.107 175.801 174.700 -0.011 0.000 0.982 1110 T CA 0.094 62.182 62.100 -0.020 0.000 0.978 1110 T CB 1.488 70.340 68.868 -0.027 0.000 0.930 1110 T HN 0.956 nan 8.240 nan 0.000 0.447 1111 T N 0.174 114.726 114.554 -0.005 0.000 2.976 1111 T HA 0.535 4.886 4.350 0.001 0.000 0.257 1111 T C 0.679 175.385 174.700 0.010 0.000 1.051 1111 T CA 0.277 62.384 62.100 0.011 0.000 1.141 1111 T CB 0.189 69.069 68.868 0.020 0.000 0.881 1111 T HN 0.792 nan 8.240 nan 0.000 0.461 1112 A N 0.102 122.919 122.820 -0.006 0.000 2.605 1112 A HA 0.679 4.999 4.320 0.001 0.000 0.294 1112 A C -0.860 176.703 177.584 -0.035 0.000 1.062 1112 A CA -0.832 51.199 52.037 -0.010 0.000 0.682 1112 A CB 1.321 20.316 19.000 -0.007 0.000 1.278 1112 A HN 0.247 nan 8.150 nan 0.000 0.410 1113 S N -0.515 115.162 115.700 -0.039 0.000 2.648 1113 S HA 0.675 5.145 4.470 0.001 0.000 0.305 1113 S C -0.362 174.178 174.600 -0.100 0.000 1.094 1113 S CA -0.613 57.540 58.200 -0.078 0.000 0.983 1113 S CB 1.736 64.896 63.200 -0.066 0.000 1.101 1113 S HN 0.866 nan 8.310 nan 0.000 0.514 1114 V N 2.398 122.198 119.914 -0.190 0.000 2.461 1114 V HA 0.265 4.385 4.120 0.001 0.000 0.275 1114 V C 0.327 176.334 176.094 -0.146 0.000 1.047 1114 V CA -0.337 61.817 62.300 -0.243 0.000 0.955 1114 V CB 0.382 31.849 31.823 -0.594 0.000 0.988 1114 V HN 0.676 nan 8.190 nan 0.000 0.471 1115 R N 5.403 125.872 120.500 -0.051 0.000 2.429 1115 R HA 0.338 4.678 4.340 0.001 0.000 0.302 1115 R C 0.039 176.369 176.300 0.050 0.000 1.268 1115 R CA -0.079 56.027 56.100 0.009 0.000 1.090 1115 R CB 0.126 30.456 30.300 0.050 0.000 1.102 1115 R HN 0.660 nan 8.270 nan 0.000 0.522 1116 L N 2.400 123.655 121.223 0.053 0.000 2.965 1116 L HA 0.146 4.486 4.340 0.001 0.000 0.254 1116 L C 0.169 177.116 176.870 0.127 0.000 1.220 1116 L CA -0.272 54.661 54.840 0.155 0.000 1.023 1116 L CB -0.362 41.809 42.059 0.186 0.000 1.355 1116 L HN 0.590 nan 8.230 nan 0.000 0.545 1117 D N -1.284 119.163 120.400 0.078 0.000 2.592 1117 D HA 0.340 4.980 4.640 0.001 0.000 0.259 1117 D C 0.765 177.096 176.300 0.051 0.000 1.144 1117 D CA -0.316 53.715 54.000 0.051 0.000 1.080 1117 D CB 1.828 42.641 40.800 0.022 0.000 1.225 1117 D HN -0.083 nan 8.370 nan 0.000 0.619 1118 G N -1.655 107.150 108.800 0.008 0.000 2.727 1118 G HA2 0.287 4.248 3.960 0.001 0.000 0.207 1118 G HA3 0.287 4.248 3.960 0.001 0.000 0.207 1118 G C 1.174 175.979 174.900 -0.159 0.000 1.060 1118 G CA 0.566 45.654 45.100 -0.020 0.000 0.814 1118 G HN 0.610 nan 8.290 nan 0.000 0.576 1119 A N 1.803 124.512 122.820 -0.185 0.000 1.930 1119 A HA 0.033 4.353 4.320 0.001 0.000 0.217 1119 A C 2.669 180.269 177.584 0.026 0.000 1.175 1119 A CA 2.312 54.193 52.037 -0.259 0.000 0.627 1119 A CB -0.655 18.302 19.000 -0.072 0.000 0.815 1119 A HN 0.694 nan 8.150 nan 0.000 0.443 1120 S N 0.558 116.314 115.700 0.094 0.000 2.374 1120 S HA -0.176 4.295 4.470 0.001 0.000 0.227 1120 S C 1.710 176.425 174.600 0.192 0.000 1.037 1120 S CA 1.619 59.924 58.200 0.176 0.000 1.024 1120 S CB -0.867 62.394 63.200 0.102 0.000 0.861 1120 S HN 0.432 nan 8.310 nan 0.000 0.456 1121 L N 0.948 122.259 121.223 0.147 0.000 2.450 1121 L HA -0.040 4.300 4.340 0.001 0.000 0.224 1121 L C 2.224 179.205 176.870 0.184 0.000 1.149 1121 L CA 1.137 56.074 54.840 0.161 0.000 0.816 1121 L CB -0.721 41.439 42.059 0.168 0.000 0.932 1121 L HN 0.514 nan 8.230 nan 0.000 0.449 1122 H N -2.155 116.854 119.070 -0.101 0.000 2.539 1122 H HA 0.053 4.610 4.556 0.001 0.000 0.267 1122 H C 1.141 176.097 175.328 -0.621 0.000 0.982 1122 H CA 0.299 56.140 56.048 -0.346 0.000 1.146 1122 H CB 0.446 29.939 29.762 -0.447 0.000 1.382 1122 H HN 0.343 nan 8.280 nan 0.000 0.577 1123 F N -0.403 119.566 119.950 0.032 0.000 2.729 1123 F HA 0.436 4.963 4.527 0.000 0.000 0.304 1123 F C 0.692 176.398 175.800 -0.156 0.000 1.008 1123 F CA -0.079 57.879 58.000 -0.069 0.000 1.188 1123 F CB 1.180 40.120 39.000 -0.099 0.000 0.980 1123 F HN -0.038 nan 8.300 nan 0.000 0.627 1124 A N -0.086 122.749 122.820 0.026 0.000 2.566 1124 A HA 0.649 4.969 4.320 0.001 0.000 0.297 1124 A C -2.890 174.710 177.584 0.027 0.000 1.059 1124 A CA -1.477 50.503 52.037 -0.094 0.000 0.691 1124 A CB 0.564 19.291 19.000 -0.455 0.000 1.282 1124 A HN -0.186 nan 8.150 nan 0.000 0.401 1125 P HA 0.129 nan 4.420 nan 0.000 0.269 1125 P C 1.074 178.454 177.300 0.134 0.000 1.217 1125 P CA -0.218 62.935 63.100 0.090 0.000 0.783 1125 P CB 0.356 32.110 31.700 0.090 0.000 0.898 1126 M N 2.422 122.090 119.600 0.112 0.000 2.195 1126 M HA -0.211 4.269 4.480 0.001 0.000 0.260 1126 M C 1.571 177.950 176.300 0.130 0.000 1.066 1126 M CA 1.715 57.086 55.300 0.117 0.000 1.089 1126 M CB -0.884 31.771 32.600 0.092 0.000 1.377 1126 M HN 0.359 nan 8.290 nan 0.000 0.411 1127 E N -1.009 119.267 120.200 0.126 0.000 2.265 1127 E HA -0.185 4.165 4.350 0.001 0.000 0.196 1127 E C 0.524 177.204 176.600 0.134 0.000 0.996 1127 E CA 0.407 56.873 56.400 0.109 0.000 0.832 1127 E CB -1.027 28.725 29.700 0.086 0.000 0.756 1127 E HN 0.485 nan 8.360 nan 0.000 0.491 1128 F N 4.397 124.369 119.950 0.037 0.000 2.484 1128 F HA 0.194 4.722 4.527 0.000 0.000 0.360 1128 F C -1.971 173.847 175.800 0.031 0.000 1.101 1128 F CA -2.576 55.445 58.000 0.036 0.000 1.251 1128 F CB 0.636 39.663 39.000 0.045 0.000 1.132 1128 F HN -0.164 nan 8.300 nan 0.000 0.570 1129 P HA 0.201 nan 4.420 nan 0.000 0.279 1129 P C -1.505 175.896 177.300 0.168 0.000 1.239 1129 P CA -0.490 62.590 63.100 -0.033 0.000 0.789 1129 P CB 1.370 32.962 31.700 -0.181 0.000 0.933 1130 A N 3.524 126.420 122.820 0.127 0.000 3.094 1130 A HA 0.355 4.675 4.320 0.001 0.000 0.288 1130 A C 0.026 177.649 177.584 0.064 0.000 1.519 1130 A CA -0.522 51.589 52.037 0.122 0.000 1.227 1130 A CB -0.605 18.438 19.000 0.071 0.000 1.175 1130 A HN 0.446 nan 8.150 nan 0.000 0.568 1131 V N 1.539 121.497 119.914 0.073 0.000 2.612 1131 V HA 0.757 4.877 4.120 0.001 0.000 0.301 1131 V C 0.613 176.741 176.094 0.057 0.000 1.046 1131 V CA -0.195 62.131 62.300 0.043 0.000 0.946 1131 V CB 1.561 33.394 31.823 0.016 0.000 1.003 1131 V HN 0.916 nan 8.190 nan 0.000 0.459 1132 A N 3.973 126.821 122.820 0.046 0.000 2.304 1132 A HA 0.444 4.765 4.320 0.001 0.000 0.271 1132 A C -0.016 177.611 177.584 0.073 0.000 1.091 1132 A CA -0.171 51.895 52.037 0.049 0.000 0.812 1132 A CB 0.249 19.265 19.000 0.027 0.000 1.056 1132 A HN 1.049 nan 8.150 nan 0.000 0.489 1133 D N -0.123 120.321 120.400 0.073 0.000 2.382 1133 D HA 0.131 4.771 4.640 0.001 0.000 0.245 1133 D C 0.646 177.012 176.300 0.111 0.000 1.120 1133 D CA -0.200 53.859 54.000 0.099 0.000 0.890 1133 D CB 0.204 41.053 40.800 0.082 0.000 1.201 1133 D HN 0.364 nan 8.370 nan 0.000 0.433 1134 F N 3.764 123.720 119.950 0.011 0.000 2.102 1134 F HA -0.105 4.422 4.527 0.001 0.000 0.298 1134 F C 2.058 177.860 175.800 0.004 0.000 1.105 1134 F CA 1.807 59.810 58.000 0.005 0.000 1.239 1134 F CB -0.505 38.497 39.000 0.003 0.000 0.991 1134 F HN 0.513 nan 8.300 nan 0.000 0.474 1135 A N -0.608 122.198 122.820 -0.022 0.000 1.877 1135 A HA -0.212 4.108 4.320 0.001 0.000 0.216 1135 A C 2.395 179.890 177.584 -0.148 0.000 1.186 1135 A CA 1.794 53.761 52.037 -0.117 0.000 0.620 1135 A CB -1.645 17.358 19.000 0.006 0.000 0.822 1135 A HN 0.555 nan 8.150 nan 0.000 0.443 1136 C N -0.941 118.313 119.300 -0.078 0.000 2.432 1136 C HA -0.089 4.372 4.460 0.001 0.000 0.277 1136 C C 3.032 177.963 174.990 -0.098 0.000 1.249 1136 C CA 1.605 60.585 59.018 -0.064 0.000 1.725 1136 C CB -1.524 26.207 27.740 -0.015 0.000 2.028 1136 C HN 0.657 nan 8.230 nan 0.000 0.477 1137 T N 0.263 114.743 114.554 -0.125 0.000 2.867 1137 T HA -0.133 4.217 4.350 0.001 0.000 0.268 1137 T C 1.745 176.322 174.700 -0.204 0.000 1.057 1137 T CA 1.951 63.970 62.100 -0.134 0.000 1.136 1137 T CB -0.419 68.385 68.868 -0.107 0.000 0.874 1137 T HN 0.604 nan 8.240 nan 0.000 0.466 1138 T N 2.011 116.361 114.554 -0.341 0.000 2.737 1138 T HA 0.042 4.393 4.350 0.001 0.000 0.265 1138 T C 2.484 177.067 174.700 -0.195 0.000 1.038 1138 T CA 1.051 62.938 62.100 -0.355 0.000 1.144 1138 T CB -0.540 68.007 68.868 -0.535 0.000 0.866 1138 T HN 0.428 nan 8.240 nan 0.000 0.434 1139 A N 1.290 124.015 122.820 -0.159 0.000 1.908 1139 A HA -0.018 4.303 4.320 0.001 0.000 0.218 1139 A C 2.272 179.808 177.584 -0.080 0.000 1.181 1139 A CA 1.306 53.283 52.037 -0.099 0.000 0.627 1139 A CB -0.874 18.079 19.000 -0.078 0.000 0.818 1139 A HN 0.479 nan 8.150 nan 0.000 0.445 1140 L N -0.807 120.367 121.223 -0.082 0.000 2.156 1140 L HA -0.103 4.238 4.340 0.001 0.000 0.208 1140 L C 2.417 179.245 176.870 -0.068 0.000 1.095 1140 L CA 0.594 55.394 54.840 -0.065 0.000 0.770 1140 L CB -0.335 41.689 42.059 -0.058 0.000 0.914 1140 L HN 0.236 nan 8.230 nan 0.000 0.439 1141 V N -0.314 119.550 119.914 -0.082 0.000 2.453 1141 V HA -0.222 3.899 4.120 0.001 0.000 0.247 1141 V C 2.306 178.361 176.094 -0.064 0.000 1.048 1141 V CA 1.600 63.855 62.300 -0.075 0.000 1.049 1141 V CB -0.276 31.497 31.823 -0.082 0.000 0.672 1141 V HN 0.431 nan 8.190 nan 0.000 0.457 1142 E N 0.172 120.333 120.200 -0.066 0.000 2.072 1142 E HA -0.127 4.223 4.350 0.001 0.000 0.190 1142 E C 2.340 178.916 176.600 -0.039 0.000 0.982 1142 E CA 1.165 57.535 56.400 -0.051 0.000 0.803 1142 E CB -0.297 29.371 29.700 -0.053 0.000 0.755 1142 E HN 0.577 nan 8.360 nan 0.000 0.453 1143 A N 1.513 124.309 122.820 -0.040 0.000 1.902 1143 A HA -0.142 4.178 4.320 0.001 0.000 0.217 1143 A C 2.391 179.961 177.584 -0.023 0.000 1.181 1143 A CA 1.675 53.695 52.037 -0.028 0.000 0.623 1143 A CB -0.657 18.325 19.000 -0.029 0.000 0.818 1143 A HN 0.297 nan 8.150 nan 0.000 0.443 1144 A N -0.044 122.754 122.820 -0.037 0.000 1.908 1144 A HA -0.214 4.106 4.320 0.001 0.000 0.218 1144 A C 2.139 179.710 177.584 -0.023 0.000 1.181 1144 A CA 2.170 54.182 52.037 -0.041 0.000 0.627 1144 A CB -0.461 18.499 19.000 -0.068 0.000 0.818 1144 A HN 0.603 nan 8.150 nan 0.000 0.445 1145 K N -0.252 120.132 120.400 -0.027 0.000 2.057 1145 K HA -0.115 4.206 4.320 0.001 0.000 0.206 1145 K C 2.273 178.868 176.600 -0.007 0.000 1.050 1145 K CA 1.643 57.919 56.287 -0.019 0.000 0.935 1145 K CB -0.243 32.242 32.500 -0.025 0.000 0.715 1145 K HN 0.448 nan 8.250 nan 0.000 0.439 1146 S N 0.113 115.808 115.700 -0.008 0.000 2.423 1146 S HA -0.049 4.421 4.470 0.001 0.000 0.231 1146 S C 1.826 176.430 174.600 0.006 0.000 1.014 1146 S CA 0.691 58.889 58.200 -0.004 0.000 0.965 1146 S CB -0.167 63.029 63.200 -0.008 0.000 0.785 1146 S HN 0.305 nan 8.310 nan 0.000 0.495 1147 I N 1.263 121.844 120.570 0.017 0.000 2.585 1147 I HA 0.250 4.420 4.170 0.001 0.000 0.254 1147 I C 1.502 177.654 176.117 0.058 0.000 1.129 1147 I CA 1.266 62.590 61.300 0.041 0.000 1.455 1147 I CB -1.677 36.364 38.000 0.069 0.000 1.111 1147 I HN 0.543 nan 8.210 nan 0.000 0.433 1148 G N 1.764 110.600 108.800 0.060 0.000 3.269 1148 G HA2 0.259 4.219 3.960 0.001 0.000 0.668 1148 G HA3 0.259 4.219 3.960 0.001 0.000 0.668 1148 G C -0.366 174.626 174.900 0.153 0.000 1.100 1148 G CA -0.163 44.976 45.100 0.066 0.000 0.940 1148 G HN 0.785 nan 8.290 nan 0.000 0.438 1149 A N 1.403 124.280 122.820 0.095 0.000 2.586 1149 A HA 0.920 5.241 4.320 0.001 0.000 0.291 1149 A C -0.055 177.522 177.584 -0.012 0.000 1.062 1149 A CA 0.091 52.187 52.037 0.097 0.000 0.666 1149 A CB 0.905 19.869 19.000 -0.059 0.000 1.281 1149 A HN 1.564 nan 8.150 nan 0.000 0.421 1150 T N 2.545 117.087 114.554 -0.020 0.000 2.727 1150 T HA 0.533 4.884 4.350 0.001 0.000 0.295 1150 T C -0.124 174.484 174.700 -0.155 0.000 0.915 1150 T CA 0.425 62.480 62.100 -0.075 0.000 1.066 1150 T CB 0.080 68.947 68.868 -0.001 0.000 0.891 1150 T HN 0.612 nan 8.240 nan 0.000 0.516 1151 T N 4.332 118.734 114.554 -0.252 0.000 2.829 1151 T HA 0.402 4.752 4.350 0.001 0.000 0.280 1151 T C -0.580 173.859 174.700 -0.434 0.000 0.999 1151 T CA -0.774 61.178 62.100 -0.246 0.000 0.983 1151 T CB 0.956 69.734 68.868 -0.150 0.000 0.968 1151 T HN 0.525 nan 8.240 nan 0.000 0.446 1152 H N 1.049 120.091 119.070 -0.047 0.000 2.529 1152 H HA 0.556 5.112 4.556 0.001 0.000 0.348 1152 H C -0.995 174.315 175.328 -0.031 0.000 1.079 1152 H CA -0.491 55.540 56.048 -0.029 0.000 1.198 1152 H CB 1.935 31.666 29.762 -0.051 0.000 1.521 1152 H HN 0.268 nan 8.280 nan 0.000 0.514 1153 V N 2.463 122.422 119.914 0.075 0.000 2.448 1153 V HA 0.707 4.827 4.120 0.001 0.000 0.295 1153 V C 0.493 176.614 176.094 0.045 0.000 1.025 1153 V CA -0.219 62.102 62.300 0.035 0.000 0.859 1153 V CB 1.451 33.279 31.823 0.008 0.000 0.988 1153 V HN 1.081 nan 8.190 nan 0.000 0.431 1154 G N 3.104 111.918 108.800 0.024 0.000 2.335 1154 G HA2 0.394 4.355 3.960 0.001 0.000 0.291 1154 G HA3 0.394 4.355 3.960 0.001 0.000 0.291 1154 G C -1.237 173.656 174.900 -0.010 0.000 1.261 1154 G CA -0.464 44.645 45.100 0.016 0.000 0.871 1154 G HN 0.493 nan 8.290 nan 0.000 0.491 1155 V N 0.576 120.477 119.914 -0.022 0.000 2.811 1155 V HA 0.571 4.692 4.120 0.001 0.000 0.302 1155 V C 0.506 176.542 176.094 -0.096 0.000 1.063 1155 V CA 0.256 62.523 62.300 -0.055 0.000 1.088 1155 V CB 1.254 33.044 31.823 -0.056 0.000 0.982 1155 V HN 0.803 nan 8.190 nan 0.000 0.485 1156 T N 2.819 117.298 114.554 -0.125 0.000 2.893 1156 T HA 0.648 4.999 4.350 0.001 0.000 0.291 1156 T C -0.235 174.321 174.700 -0.241 0.000 1.028 1156 T CA -0.283 61.718 62.100 -0.164 0.000 0.995 1156 T CB 1.709 70.513 68.868 -0.107 0.000 1.051 1156 T HN 0.935 nan 8.240 nan 0.000 0.470 1157 A N 1.939 124.564 122.820 -0.326 0.000 2.269 1157 A HA 0.598 4.918 4.320 0.001 0.000 0.302 1157 A C 0.400 177.904 177.584 -0.134 0.000 1.266 1157 A CA -0.403 51.400 52.037 -0.390 0.000 0.894 1157 A CB 0.277 18.881 19.000 -0.660 0.000 1.147 1157 A HN 0.621 nan 8.150 nan 0.000 0.537 1158 S N 2.489 118.120 115.700 -0.114 0.000 2.466 1158 S HA 0.426 4.896 4.470 0.001 0.000 0.313 1158 S C 0.145 174.734 174.600 -0.017 0.000 1.078 1158 S CA -0.300 57.874 58.200 -0.043 0.000 1.115 1158 S CB -0.085 63.088 63.200 -0.045 0.000 1.006 1158 S HN 0.912 nan 8.310 nan 0.000 0.487 1159 S N 3.033 118.727 115.700 -0.011 0.000 2.541 1159 S HA 0.306 4.777 4.470 0.001 0.000 0.283 1159 S C 0.684 175.255 174.600 -0.047 0.000 1.196 1159 S CA -0.563 57.608 58.200 -0.047 0.000 1.062 1159 S CB 1.061 64.160 63.200 -0.168 0.000 1.009 1159 S HN 0.688 nan 8.310 nan 0.000 0.502 1160 D N 1.829 122.214 120.400 -0.025 0.000 2.363 1160 D HA 0.106 4.746 4.640 0.001 0.000 0.220 1160 D C 0.799 177.092 176.300 -0.012 0.000 0.994 1160 D CA 0.737 54.735 54.000 -0.004 0.000 0.890 1160 D CB 0.184 41.000 40.800 0.027 0.000 0.906 1160 D HN 0.734 nan 8.370 nan 0.000 0.530 1161 T N -4.102 110.414 114.554 -0.064 0.000 2.916 1161 T HA 0.306 4.657 4.350 0.001 0.000 0.292 1161 T C 0.323 174.973 174.700 -0.083 0.000 1.064 1161 T CA -0.859 61.222 62.100 -0.032 0.000 1.011 1161 T CB 1.175 70.017 68.868 -0.044 0.000 1.152 1161 T HN -0.126 nan 8.240 nan 0.000 0.510 1162 F N -0.348 119.489 119.950 -0.189 0.000 2.656 1162 F HA 0.319 4.846 4.527 0.001 0.000 0.291 1162 F C 0.731 176.160 175.800 -0.618 0.000 1.122 1162 F CA 0.191 57.945 58.000 -0.410 0.000 1.427 1162 F CB 0.107 38.827 39.000 -0.466 0.000 1.125 1162 F HN 0.652 nan 8.300 nan 0.000 0.583 1163 Y N 0.783 121.060 120.300 -0.039 0.000 2.543 1163 Y HA 0.221 4.771 4.550 0.000 0.000 0.249 1163 Y C -0.491 175.241 175.900 -0.280 0.000 1.081 1163 Y CA 0.389 58.416 58.100 -0.122 0.000 1.336 1163 Y CB -1.936 36.532 38.460 0.013 0.000 1.208 1163 Y HN -0.250 nan 8.280 nan 0.000 0.502 1164 P HA -0.125 nan 4.420 nan 0.000 0.215 1164 P C 1.511 178.507 177.300 -0.508 0.000 1.157 1164 P CA 2.307 65.278 63.100 -0.215 0.000 0.868 1164 P CB -0.237 31.417 31.700 -0.076 0.000 0.788 1165 G N -0.508 107.867 108.800 -0.708 0.000 2.653 1165 G HA2 -0.180 3.780 3.960 0.001 0.000 0.212 1165 G HA3 -0.180 3.780 3.960 0.001 0.000 0.212 1165 G C 1.212 175.605 174.900 -0.845 0.000 1.138 1165 G CA 0.258 44.603 45.100 -1.258 0.000 0.782 1165 G HN 0.416 nan 8.290 nan 0.000 0.535 1166 Q N -0.691 118.658 119.800 -0.751 0.000 2.115 1166 Q HA 0.177 4.518 4.340 0.001 0.000 0.249 1166 Q C -0.053 175.586 176.000 -0.601 0.000 0.830 1166 Q CA -0.339 54.806 55.803 -1.098 0.000 1.104 1166 Q CB 0.582 28.535 28.738 -1.308 0.000 1.207 1166 Q HN 0.584 nan 8.270 nan 0.000 0.464 1167 E N 1.792 121.777 120.200 -0.359 0.000 2.162 1167 E HA -0.262 4.089 4.350 0.001 0.000 0.209 1167 E C -0.789 175.653 176.600 -0.263 0.000 1.328 1167 E CA 0.310 56.563 56.400 -0.245 0.000 0.712 1167 E CB -0.231 29.482 29.700 0.022 0.000 1.107 1167 E HN 0.305 nan 8.360 nan 0.000 0.347 1168 R N -0.062 120.264 120.500 -0.290 0.000 2.349 1168 R HA 0.194 4.535 4.340 0.001 0.000 0.299 1168 R C 0.249 176.451 176.300 -0.163 0.000 1.027 1168 R CA -0.176 55.855 56.100 -0.115 0.000 0.958 1168 R CB 0.527 30.801 30.300 -0.043 0.000 1.047 1168 R HN 0.231 nan 8.270 nan 0.000 0.468 1169 Y N -0.365 119.976 120.300 0.069 0.000 2.462 1169 Y HA 0.062 4.613 4.550 0.000 0.000 0.253 1169 Y C 0.448 176.384 175.900 0.061 0.000 1.095 1169 Y CA -0.080 58.056 58.100 0.061 0.000 1.283 1169 Y CB 0.631 39.115 38.460 0.039 0.000 1.138 1169 Y HN 0.540 nan 8.280 nan 0.000 0.522 1170 D N 1.403 121.929 120.400 0.209 0.000 2.608 1170 D HA 0.114 4.754 4.640 0.001 0.000 0.224 1170 D C 0.115 176.483 176.300 0.113 0.000 1.123 1170 D CA 0.145 54.232 54.000 0.144 0.000 1.030 1170 D CB 0.010 40.889 40.800 0.132 0.000 1.093 1170 D HN 0.218 nan 8.370 nan 0.000 0.497 1171 T N -1.992 112.601 114.554 0.065 0.000 2.807 1171 T HA 0.155 4.505 4.350 0.001 0.000 0.277 1171 T C 1.000 175.703 174.700 0.004 0.000 1.006 1171 T CA -0.805 61.285 62.100 -0.017 0.000 1.006 1171 T CB 0.474 69.314 68.868 -0.046 0.000 1.274 1171 T HN 0.173 nan 8.240 nan 0.000 0.569 1172 Y N 1.188 121.423 120.300 -0.109 0.000 2.181 1172 Y HA -0.104 4.446 4.550 0.000 0.000 0.288 1172 Y C 2.704 178.586 175.900 -0.031 0.000 1.146 1172 Y CA 2.535 60.594 58.100 -0.068 0.000 1.164 1172 Y CB -0.339 38.071 38.460 -0.084 0.000 0.982 1172 Y HN 0.719 nan 8.280 nan 0.000 0.515 1173 S N -1.095 114.578 115.700 -0.044 0.000 2.458 1173 S HA 0.179 4.649 4.470 0.001 0.000 0.223 1173 S C 1.907 176.474 174.600 -0.055 0.000 1.019 1173 S CA 0.579 58.720 58.200 -0.098 0.000 0.937 1173 S CB -0.433 62.808 63.200 0.068 0.000 0.788 1173 S HN 0.966 nan 8.310 nan 0.000 0.511 1174 G N 2.138 110.940 108.800 0.004 0.000 2.175 1174 G HA2 -0.342 3.618 3.960 0.001 0.000 0.265 1174 G HA3 -0.342 3.618 3.960 0.001 0.000 0.265 1174 G C 0.084 175.093 174.900 0.181 0.000 0.979 1174 G CA 0.631 45.782 45.100 0.086 0.000 0.663 1174 G HN 1.023 nan 8.290 nan 0.000 0.533 1175 R N -1.342 119.227 120.500 0.115 0.000 2.832 1175 R HA 0.822 5.162 4.340 0.001 0.000 0.271 1175 R C -1.060 175.274 176.300 0.058 0.000 0.996 1175 R CA -0.965 55.224 56.100 0.148 0.000 0.977 1175 R CB 2.167 32.526 30.300 0.099 0.000 1.168 1175 R HN 0.274 nan 8.270 nan 0.000 0.482 1176 V N 2.163 122.125 119.914 0.081 0.000 2.577 1176 V HA 0.226 4.346 4.120 0.001 0.000 0.303 1176 V C -0.026 176.132 176.094 0.106 0.000 1.042 1176 V CA -1.107 61.199 62.300 0.011 0.000 0.872 1176 V CB 1.677 33.407 31.823 -0.155 0.000 0.998 1176 V HN 0.692 nan 8.190 nan 0.000 0.423 1177 V N 5.926 125.917 119.914 0.129 0.000 2.814 1177 V HA 0.019 4.139 4.120 0.001 0.000 0.307 1177 V C 1.910 178.059 176.094 0.092 0.000 1.089 1177 V CA 0.826 63.196 62.300 0.116 0.000 1.212 1177 V CB 0.716 32.620 31.823 0.133 0.000 0.912 1177 V HN 0.976 nan 8.190 nan 0.000 0.497 1178 R N 4.026 124.552 120.500 0.043 0.000 2.191 1178 R HA -0.245 4.095 4.340 0.001 0.000 0.248 1178 R C 2.313 178.585 176.300 -0.047 0.000 1.127 1178 R CA 2.607 58.713 56.100 0.009 0.000 0.943 1178 R CB -0.376 29.919 30.300 -0.008 0.000 0.891 1178 R HN 0.831 nan 8.270 nan 0.000 0.439 1179 R N -0.199 120.221 120.500 -0.134 0.000 2.134 1179 R HA -0.197 4.143 4.340 0.001 0.000 0.248 1179 R C 1.831 177.882 176.300 -0.415 0.000 1.143 1179 R CA 2.104 57.998 56.100 -0.343 0.000 0.957 1179 R CB -0.510 29.454 30.300 -0.560 0.000 0.867 1179 R HN 0.358 nan 8.270 nan 0.000 0.441 1180 F N 0.282 120.253 119.950 0.036 0.000 2.664 1180 F HA 0.238 4.766 4.527 0.001 0.000 0.303 1180 F C 0.774 176.588 175.800 0.023 0.000 1.092 1180 F CA -0.258 57.764 58.000 0.037 0.000 1.305 1180 F CB 0.352 39.377 39.000 0.040 0.000 1.054 1180 F HN -0.341 nan 8.300 nan 0.000 0.565 1181 K N 0.738 121.228 120.400 0.149 0.000 2.379 1181 K HA 0.239 4.559 4.320 0.001 0.000 0.284 1181 K C 1.144 177.799 176.600 0.091 0.000 1.044 1181 K CA 0.654 57.034 56.287 0.155 0.000 0.974 1181 K CB 0.669 33.243 32.500 0.123 0.000 0.962 1181 K HN 0.358 nan 8.250 nan 0.000 0.474 1182 G N 1.993 110.862 108.800 0.116 0.000 2.187 1182 G HA2 -0.340 3.621 3.960 0.001 0.000 0.261 1182 G HA3 -0.340 3.621 3.960 0.001 0.000 0.261 1182 G C 0.871 175.742 174.900 -0.050 0.000 1.000 1182 G CA 0.986 46.109 45.100 0.038 0.000 0.718 1182 G HN 0.693 nan 8.290 nan 0.000 0.519 1183 S N -1.012 114.671 115.700 -0.029 0.000 2.395 1183 S HA 0.075 4.545 4.470 0.001 0.000 0.225 1183 S C 2.241 176.638 174.600 -0.339 0.000 1.027 1183 S CA 1.452 59.507 58.200 -0.242 0.000 0.965 1183 S CB -0.231 63.005 63.200 0.061 0.000 0.812 1183 S HN 0.702 nan 8.310 nan 0.000 0.482 1184 M N 1.607 121.255 119.600 0.080 0.000 2.175 1184 M HA -0.047 4.433 4.480 0.001 0.000 0.264 1184 M C 2.308 178.662 176.300 0.089 0.000 1.063 1184 M CA 1.966 57.419 55.300 0.254 0.000 1.119 1184 M CB -0.238 32.575 32.600 0.355 0.000 1.377 1184 M HN 0.512 nan 8.290 nan 0.000 0.415 1185 E N 0.010 120.223 120.200 0.022 0.000 2.150 1185 E HA -0.275 4.076 4.350 0.001 0.000 0.193 1185 E C 1.800 178.368 176.600 -0.054 0.000 0.985 1185 E CA 1.523 57.924 56.400 0.001 0.000 0.814 1185 E CB -0.043 29.656 29.700 -0.002 0.000 0.752 1185 E HN 0.714 nan 8.360 nan 0.000 0.466 1186 E N -0.330 119.762 120.200 -0.181 0.000 2.046 1186 E HA -0.159 4.192 4.350 0.001 0.000 0.190 1186 E C 1.686 178.198 176.600 -0.146 0.000 0.982 1186 E CA 1.371 57.617 56.400 -0.257 0.000 0.800 1186 E CB -0.211 29.195 29.700 -0.489 0.000 0.756 1186 E HN 0.401 nan 8.360 nan 0.000 0.449 1187 W N 1.070 122.377 121.300 0.012 0.000 2.358 1187 W HA -0.159 4.501 4.660 0.000 0.000 0.303 1187 W C 2.540 179.030 176.519 -0.048 0.000 1.208 1187 W CA 0.544 57.869 57.345 -0.034 0.000 1.274 1187 W CB -0.195 29.205 29.460 -0.100 0.000 1.138 1187 W HN 0.154 nan 8.180 nan 0.000 0.515 1188 Q N 0.429 120.330 119.800 0.168 0.000 2.112 1188 Q HA -0.221 4.119 4.340 0.001 0.000 0.206 1188 Q C 2.447 178.490 176.000 0.071 0.000 0.987 1188 Q CA 1.780 57.636 55.803 0.088 0.000 0.858 1188 Q CB -0.678 28.097 28.738 0.061 0.000 0.905 1188 Q HN 0.363 nan 8.270 nan 0.000 0.420 1189 A N 0.510 123.364 122.820 0.055 0.000 2.015 1189 A HA -0.097 4.223 4.320 0.001 0.000 0.219 1189 A C 1.822 179.438 177.584 0.054 0.000 1.163 1189 A CA 1.079 53.138 52.037 0.036 0.000 0.646 1189 A CB -0.270 18.735 19.000 0.008 0.000 0.806 1189 A HN 0.297 nan 8.150 nan 0.000 0.448 1190 M N -1.200 118.458 119.600 0.098 0.000 2.494 1190 M HA 0.192 4.673 4.480 0.001 0.000 0.232 1190 M C 1.325 177.679 176.300 0.090 0.000 1.137 1190 M CA 0.685 56.053 55.300 0.113 0.000 1.012 1190 M CB 0.315 33.035 32.600 0.200 0.000 1.567 1190 M HN 0.588 nan 8.290 nan 0.000 0.486 1191 G N 0.452 109.297 108.800 0.075 0.000 2.184 1191 G HA2 -0.228 3.732 3.960 0.001 0.000 0.264 1191 G HA3 -0.228 3.732 3.960 0.001 0.000 0.264 1191 G C 0.177 175.100 174.900 0.039 0.000 0.975 1191 G CA -0.021 45.114 45.100 0.057 0.000 0.642 1191 G HN 0.329 nan 8.290 nan 0.000 0.536 1192 V N 2.421 122.356 119.914 0.035 0.000 2.557 1192 V HA 0.170 4.290 4.120 0.001 0.000 0.301 1192 V C 1.898 177.945 176.094 -0.078 0.000 1.026 1192 V CA 1.486 63.756 62.300 -0.050 0.000 1.137 1192 V CB 0.939 32.700 31.823 -0.104 0.000 0.917 1192 V HN 0.527 nan 8.190 nan 0.000 0.484 1193 M N 3.035 122.574 119.600 -0.102 0.000 2.510 1193 M HA 0.280 4.760 4.480 0.001 0.000 0.256 1193 M C 0.483 176.682 176.300 -0.169 0.000 1.132 1193 M CA 0.486 55.713 55.300 -0.121 0.000 1.105 1193 M CB 0.038 32.576 32.600 -0.103 0.000 1.375 1193 M HN 0.797 nan 8.290 nan 0.000 0.477 1194 N N -0.787 117.784 118.700 -0.215 0.000 3.227 1194 N HA 0.218 4.958 4.740 0.001 0.000 0.241 1194 N C -2.172 173.175 175.510 -0.272 0.000 1.480 1194 N CA -0.637 52.287 53.050 -0.210 0.000 0.886 1194 N CB 1.048 39.466 38.487 -0.115 0.000 1.406 1194 N HN 0.039 nan 8.380 nan 0.000 0.514 1195 Y N -0.212 120.015 120.300 -0.123 0.000 2.364 1195 Y HA 0.492 5.043 4.550 0.001 0.000 0.340 1195 Y C 0.001 175.816 175.900 -0.141 0.000 0.975 1195 Y CA -0.260 57.747 58.100 -0.155 0.000 1.089 1195 Y CB 1.648 39.993 38.460 -0.192 0.000 1.192 1195 Y HN 0.782 nan 8.280 nan 0.000 0.454 1196 E N 0.413 120.645 120.200 0.052 0.000 2.460 1196 E HA 0.558 4.908 4.350 0.001 0.000 0.277 1196 E C -1.216 175.382 176.600 -0.004 0.000 1.010 1196 E CA -0.806 55.598 56.400 0.007 0.000 0.838 1196 E CB 1.326 31.023 29.700 -0.005 0.000 1.448 1196 E HN 0.473 nan 8.360 nan 0.000 0.462 1197 M N 0.606 120.206 119.600 0.000 0.000 2.596 1197 M HA 0.273 4.754 4.480 0.001 0.000 0.364 1197 M C -0.134 176.165 176.300 -0.002 0.000 1.158 1197 M CA -0.056 55.242 55.300 -0.002 0.000 0.940 1197 M CB 0.703 33.311 32.600 0.013 0.000 1.388 1197 M HN 0.657 nan 8.290 nan 0.000 0.522 1198 E N -1.216 118.979 120.200 -0.007 0.000 2.671 1198 E HA 0.095 4.446 4.350 0.001 0.000 0.204 1198 E C 0.967 177.552 176.600 -0.024 0.000 0.940 1198 E CA 0.652 57.045 56.400 -0.012 0.000 1.328 1198 E CB -0.303 29.394 29.700 -0.005 0.000 1.214 1198 E HN 0.294 nan 8.360 nan 0.000 0.624 1199 S N 1.590 117.276 115.700 -0.024 0.000 2.368 1199 S HA 0.029 4.500 4.470 0.001 0.000 0.224 1199 S C 2.261 176.843 174.600 -0.030 0.000 1.029 1199 S CA 0.966 59.148 58.200 -0.029 0.000 0.988 1199 S CB -0.225 62.958 63.200 -0.029 0.000 0.838 1199 S HN 0.306 nan 8.310 nan 0.000 0.462 1200 A N 2.013 124.819 122.820 -0.024 0.000 1.865 1200 A HA -0.078 4.242 4.320 0.001 0.000 0.217 1200 A C 2.457 180.034 177.584 -0.012 0.000 1.191 1200 A CA 2.361 54.392 52.037 -0.010 0.000 0.623 1200 A CB -1.863 17.136 19.000 -0.003 0.000 0.826 1200 A HN 0.576 nan 8.150 nan 0.000 0.444 1201 T N 0.128 114.669 114.554 -0.022 0.000 2.595 1201 T HA -0.184 4.166 4.350 0.001 0.000 0.264 1201 T C 1.885 176.507 174.700 -0.129 0.000 1.058 1201 T CA 1.679 63.756 62.100 -0.039 0.000 1.166 1201 T CB -0.595 68.256 68.868 -0.028 0.000 0.863 1201 T HN 0.386 nan 8.240 nan 0.000 0.415 1202 L N 0.845 121.989 121.223 -0.131 0.000 1.997 1202 L HA -0.112 4.228 4.340 0.001 0.000 0.216 1202 L C 2.138 178.914 176.870 -0.157 0.000 1.074 1202 L CA 1.784 56.515 54.840 -0.183 0.000 0.763 1202 L CB -0.925 41.059 42.059 -0.125 0.000 0.890 1202 L HN 0.122 nan 8.230 nan 0.000 0.434 1203 L N -0.640 120.538 121.223 -0.076 0.000 2.046 1203 L HA -0.168 4.172 4.340 0.001 0.000 0.208 1203 L C 2.513 179.380 176.870 -0.006 0.000 1.077 1203 L CA 2.263 57.089 54.840 -0.024 0.000 0.747 1203 L CB -1.612 40.452 42.059 0.009 0.000 0.896 1203 L HN 0.354 nan 8.230 nan 0.000 0.432 1204 T N -0.022 114.522 114.554 -0.015 0.000 2.701 1204 T HA -0.237 4.113 4.350 0.001 0.000 0.263 1204 T C 1.826 176.425 174.700 -0.168 0.000 1.040 1204 T CA 1.864 63.964 62.100 -0.000 0.000 1.147 1204 T CB -0.278 68.608 68.868 0.030 0.000 0.865 1204 T HN 0.479 nan 8.240 nan 0.000 0.426 1205 M N 0.157 119.538 119.600 -0.364 0.000 2.279 1205 M HA -0.033 4.448 4.480 0.001 0.000 0.264 1205 M C 2.160 178.196 176.300 -0.440 0.000 1.062 1205 M CA 1.516 56.370 55.300 -0.744 0.000 1.099 1205 M CB -0.965 30.736 32.600 -1.498 0.000 1.394 1205 M HN 0.195 nan 8.290 nan 0.000 0.426 1206 C N 1.076 120.217 119.300 -0.265 0.000 2.522 1206 C HA 0.240 4.701 4.460 0.001 0.000 0.280 1206 C C 3.239 178.222 174.990 -0.012 0.000 1.303 1206 C CA 0.863 59.809 59.018 -0.121 0.000 1.709 1206 C CB -0.938 26.770 27.740 -0.055 0.000 2.071 1206 C HN 0.763 nan 8.230 nan 0.000 0.492 1207 A N 1.001 123.846 122.820 0.041 0.000 2.019 1207 A HA -0.119 4.201 4.320 0.001 0.000 0.219 1207 A C 2.147 179.839 177.584 0.180 0.000 1.164 1207 A CA 2.095 54.227 52.037 0.159 0.000 0.644 1207 A CB -0.546 18.626 19.000 0.287 0.000 0.805 1207 A HN 0.704 nan 8.150 nan 0.000 0.449 1208 S N -1.803 113.888 115.700 -0.015 0.000 2.556 1208 S HA 0.124 4.594 4.470 0.001 0.000 0.216 1208 S C 1.066 175.636 174.600 -0.050 0.000 0.970 1208 S CA 0.275 58.389 58.200 -0.143 0.000 0.912 1208 S CB 0.058 62.944 63.200 -0.522 0.000 0.790 1208 S HN 0.636 nan 8.310 nan 0.000 0.504 1209 Q N 0.228 120.013 119.800 -0.025 0.000 2.135 1209 Q HA 0.358 4.699 4.340 0.001 0.000 0.222 1209 Q C 0.852 176.873 176.000 0.035 0.000 0.808 1209 Q CA 0.127 55.932 55.803 0.004 0.000 1.049 1209 Q CB 1.022 29.748 28.738 -0.020 0.000 1.168 1209 Q HN 0.655 nan 8.270 nan 0.000 0.483 1210 G N 0.866 109.697 108.800 0.051 0.000 2.184 1210 G HA2 -0.234 3.727 3.960 0.001 0.000 0.264 1210 G HA3 -0.234 3.727 3.960 0.001 0.000 0.264 1210 G C -0.046 174.899 174.900 0.075 0.000 0.975 1210 G CA -0.045 45.093 45.100 0.063 0.000 0.642 1210 G HN 0.185 nan 8.290 nan 0.000 0.536 1211 L N 0.205 121.482 121.223 0.090 0.000 2.379 1211 L HA 0.624 4.965 4.340 0.001 0.000 0.269 1211 L C 1.092 178.048 176.870 0.144 0.000 1.084 1211 L CA -0.758 54.173 54.840 0.152 0.000 0.802 1211 L CB 0.978 43.202 42.059 0.276 0.000 1.175 1211 L HN 0.183 nan 8.230 nan 0.000 0.448 1212 R N 1.032 121.623 120.500 0.151 0.000 2.368 1212 R HA 0.787 5.128 4.340 0.001 0.000 0.302 1212 R C -0.755 175.654 176.300 0.182 0.000 1.002 1212 R CA -0.587 55.585 56.100 0.121 0.000 0.929 1212 R CB 1.600 31.938 30.300 0.063 0.000 1.073 1212 R HN 0.765 nan 8.270 nan 0.000 0.464 1213 A N 1.247 124.146 122.820 0.131 0.000 2.449 1213 A HA 0.766 5.086 4.320 0.001 0.000 0.302 1213 A C -0.747 176.879 177.584 0.070 0.000 1.048 1213 A CA -0.685 51.430 52.037 0.129 0.000 0.708 1213 A CB 2.132 21.180 19.000 0.080 0.000 1.274 1213 A HN 0.761 nan 8.150 nan 0.000 0.410 1214 G N 0.067 108.904 108.800 0.061 0.000 2.524 1214 G HA2 0.634 4.594 3.960 0.001 0.000 0.310 1214 G HA3 0.634 4.594 3.960 0.001 0.000 0.310 1214 G C -1.156 173.754 174.900 0.018 0.000 1.279 1214 G CA -0.529 44.586 45.100 0.024 0.000 0.974 1214 G HN 0.886 nan 8.290 nan 0.000 0.484 1215 M N 2.763 122.363 119.600 0.000 0.000 2.106 1215 M HA 0.653 5.133 4.480 0.001 0.000 0.288 1215 M C -1.656 174.634 176.300 -0.017 0.000 0.941 1215 M CA -1.020 54.276 55.300 -0.006 0.000 0.934 1215 M CB 1.541 34.135 32.600 -0.010 0.000 1.551 1215 M HN 0.601 nan 8.290 nan 0.000 0.437 1216 V N 4.168 124.072 119.914 -0.017 0.000 2.925 1216 V HA 1.058 5.178 4.120 0.001 0.000 0.311 1216 V C -1.603 174.476 176.094 -0.025 0.000 1.104 1216 V CA 0.156 62.439 62.300 -0.027 0.000 0.954 1216 V CB 1.974 33.776 31.823 -0.034 0.000 1.022 1216 V HN 1.159 nan 8.190 nan 0.000 0.427 1217 A N 3.484 126.285 122.820 -0.032 0.000 2.609 1217 A HA 0.924 5.245 4.320 0.001 0.000 0.291 1217 A C -0.343 177.218 177.584 -0.037 0.000 1.096 1217 A CA -0.211 51.810 52.037 -0.028 0.000 0.684 1217 A CB 1.810 20.798 19.000 -0.021 0.000 1.282 1217 A HN 1.704 nan 8.150 nan 0.000 0.412 1218 G N -0.113 108.671 108.800 -0.028 0.000 2.368 1218 G HA2 0.529 4.489 3.960 0.001 0.000 0.320 1218 G HA3 0.529 4.489 3.960 0.001 0.000 0.320 1218 G C -0.545 174.346 174.900 -0.015 0.000 1.158 1218 G CA -0.378 44.705 45.100 -0.029 0.000 0.912 1218 G HN 0.958 nan 8.290 nan 0.000 0.456 1219 V N 4.499 124.401 119.914 -0.019 0.000 2.400 1219 V HA -0.005 4.115 4.120 0.001 0.000 0.263 1219 V C 1.559 177.652 176.094 -0.001 0.000 1.026 1219 V CA 0.278 62.568 62.300 -0.017 0.000 1.077 1219 V CB -0.118 31.686 31.823 -0.031 0.000 1.054 1219 V HN 0.762 nan 8.190 nan 0.000 0.477 1220 I N 3.261 123.836 120.570 0.007 0.000 3.793 1220 I HA 0.435 4.606 4.170 0.001 0.000 0.315 1220 I C 0.370 176.498 176.117 0.018 0.000 1.275 1220 I CA 0.479 61.790 61.300 0.017 0.000 1.214 1220 I CB 0.618 38.634 38.000 0.026 0.000 1.018 1220 I HN 0.424 nan 8.210 nan 0.000 0.439 1221 V N 1.022 120.942 119.914 0.009 0.000 3.177 1221 V HA 0.401 4.522 4.120 0.001 0.000 0.287 1221 V C -1.928 174.165 176.094 -0.002 0.000 1.465 1221 V CA -0.680 61.626 62.300 0.010 0.000 1.020 1221 V CB 2.335 34.170 31.823 0.019 0.000 1.152 1221 V HN 0.379 nan 8.190 nan 0.000 0.448 1222 N N 4.253 122.953 118.700 -0.000 0.000 2.483 1222 N HA 0.390 5.130 4.740 0.001 0.000 0.267 1222 N C 0.494 176.010 175.510 0.011 0.000 0.998 1222 N CA -0.626 52.420 53.050 -0.007 0.000 0.918 1222 N CB 1.755 40.231 38.487 -0.018 0.000 1.215 1222 N HN 0.633 nan 8.380 nan 0.000 0.500 1223 R N 1.098 121.611 120.500 0.023 0.000 2.377 1223 R HA -0.034 4.307 4.340 0.001 0.000 0.207 1223 R C 1.019 177.346 176.300 0.044 0.000 1.075 1223 R CA 0.789 56.914 56.100 0.042 0.000 1.035 1223 R CB -0.667 29.680 30.300 0.079 0.000 0.857 1223 R HN 0.647 nan 8.270 nan 0.000 0.475 1224 T N -3.851 110.721 114.554 0.030 0.000 3.044 1224 T HA 0.188 4.538 4.350 0.001 0.000 0.260 1224 T C 0.527 175.242 174.700 0.024 0.000 1.019 1224 T CA -0.323 61.795 62.100 0.030 0.000 0.921 1224 T CB 0.514 69.398 68.868 0.027 0.000 1.053 1224 T HN 0.089 nan 8.240 nan 0.000 0.533 1225 Q N 0.827 120.640 119.800 0.021 0.000 2.399 1225 Q HA 0.408 4.749 4.340 0.001 0.000 0.276 1225 Q C 0.621 176.634 176.000 0.022 0.000 1.098 1225 Q CA -1.061 54.754 55.803 0.019 0.000 0.827 1225 Q CB 1.831 30.578 28.738 0.015 0.000 1.386 1225 Q HN 0.197 nan 8.270 nan 0.000 0.443 1226 Q N 0.134 119.946 119.800 0.021 0.000 2.302 1226 Q HA -0.013 4.328 4.340 0.001 0.000 0.202 1226 Q C -0.408 175.605 176.000 0.022 0.000 0.936 1226 Q CA 0.637 56.454 55.803 0.023 0.000 0.886 1226 Q CB -0.137 28.613 28.738 0.020 0.000 0.986 1226 Q HN 0.725 nan 8.270 nan 0.000 0.487 1227 E N 2.156 122.368 120.200 0.020 0.000 2.414 1227 E HA 0.246 4.597 4.350 0.001 0.000 0.263 1227 E C -0.519 176.094 176.600 0.021 0.000 1.000 1227 E CA 0.032 56.444 56.400 0.019 0.000 0.914 1227 E CB 0.535 30.245 29.700 0.016 0.000 0.948 1227 E HN 0.103 nan 8.360 nan 0.000 0.444 1228 I N 3.351 123.934 120.570 0.022 0.000 2.439 1228 I HA 0.253 4.423 4.170 0.001 0.000 0.283 1228 I C -2.217 173.914 176.117 0.022 0.000 1.023 1228 I CA -2.598 58.717 61.300 0.025 0.000 1.100 1228 I CB 0.584 38.603 38.000 0.031 0.000 1.238 1228 I HN 0.498 nan 8.210 nan 0.000 0.445 1229 P HA 0.115 nan 4.420 nan 0.000 0.264 1229 P C 0.661 177.972 177.300 0.018 0.000 1.183 1229 P CA -0.047 63.064 63.100 0.019 0.000 0.763 1229 P CB 0.795 32.506 31.700 0.019 0.000 0.807 1230 N N 2.411 121.119 118.700 0.015 0.000 2.132 1230 N HA -0.101 4.639 4.740 0.001 0.000 0.188 1230 N C 1.211 176.727 175.510 0.011 0.000 1.069 1230 N CA 1.241 54.298 53.050 0.013 0.000 0.887 1230 N CB -1.077 37.416 38.487 0.010 0.000 1.059 1230 N HN 0.374 nan 8.380 nan 0.000 0.453 1231 A N 0.175 123.000 122.820 0.008 0.000 2.044 1231 A HA 0.060 4.380 4.320 0.001 0.000 0.213 1231 A C 1.881 179.469 177.584 0.006 0.000 1.169 1231 A CA 0.279 52.319 52.037 0.005 0.000 0.724 1231 A CB -0.256 18.745 19.000 0.001 0.000 0.840 1231 A HN 0.347 nan 8.150 nan 0.000 0.463 1232 E N 0.597 120.802 120.200 0.008 0.000 2.236 1232 E HA -0.230 4.120 4.350 0.001 0.000 0.205 1232 E C 1.796 178.405 176.600 0.015 0.000 1.028 1232 E CA 1.801 58.208 56.400 0.011 0.000 0.827 1232 E CB -1.233 28.476 29.700 0.014 0.000 0.735 1232 E HN 0.598 nan 8.360 nan 0.000 0.470 1233 T N 1.850 116.413 114.554 0.016 0.000 2.452 1233 T HA -0.217 4.134 4.350 0.001 0.000 0.251 1233 T C 1.601 176.309 174.700 0.014 0.000 1.232 1233 T CA 2.521 64.631 62.100 0.018 0.000 1.226 1233 T CB -0.327 68.552 68.868 0.019 0.000 0.864 1233 T HN 0.238 nan 8.240 nan 0.000 0.399 1234 M N 0.819 120.424 119.600 0.008 0.000 2.747 1234 M HA 0.327 4.807 4.480 0.001 0.000 0.221 1234 M C 0.760 177.060 176.300 0.001 0.000 1.107 1234 M CA 0.586 55.887 55.300 0.002 0.000 1.031 1234 M CB -0.689 31.909 32.600 -0.005 0.000 1.727 1234 M HN -0.039 nan 8.290 nan 0.000 0.517 1235 K N 0.654 121.057 120.400 0.006 0.000 3.283 1235 K HA 0.295 4.615 4.320 0.001 0.000 0.249 1235 K C 1.386 177.992 176.600 0.011 0.000 1.008 1235 K CA 0.197 56.486 56.287 0.004 0.000 1.687 1235 K CB -0.212 32.290 32.500 0.003 0.000 2.788 1235 K HN 0.187 nan 8.250 nan 0.000 0.849 1236 Q N -0.283 119.523 119.800 0.009 0.000 2.118 1236 Q HA -0.239 4.101 4.340 0.001 0.000 0.211 1236 Q C 1.763 177.798 176.000 0.058 0.000 0.998 1236 Q CA 2.715 58.526 55.803 0.012 0.000 0.872 1236 Q CB -0.512 28.225 28.738 -0.002 0.000 0.925 1236 Q HN 0.586 nan 8.270 nan 0.000 0.414 1237 T N 0.509 115.102 114.554 0.066 0.000 2.684 1237 T HA -0.227 4.123 4.350 0.001 0.000 0.267 1237 T C 1.638 176.385 174.700 0.078 0.000 1.036 1237 T CA 1.619 63.774 62.100 0.091 0.000 1.148 1237 T CB -0.257 68.642 68.868 0.052 0.000 0.863 1237 T HN 0.408 nan 8.240 nan 0.000 0.436 1238 E N 0.714 120.941 120.200 0.044 0.000 2.023 1238 E HA -0.144 4.206 4.350 0.001 0.000 0.196 1238 E C 2.406 179.028 176.600 0.036 0.000 1.003 1238 E CA 1.450 57.866 56.400 0.027 0.000 0.809 1238 E CB -0.129 29.577 29.700 0.009 0.000 0.755 1238 E HN 0.344 nan 8.360 nan 0.000 0.449 1239 S N -0.536 115.185 115.700 0.035 0.000 2.387 1239 S HA -0.238 4.232 4.470 0.001 0.000 0.230 1239 S C 1.707 176.356 174.600 0.082 0.000 1.035 1239 S CA 1.431 59.649 58.200 0.030 0.000 1.014 1239 S CB -0.548 62.656 63.200 0.006 0.000 0.836 1239 S HN 0.441 nan 8.310 nan 0.000 0.466 1240 H N 0.647 119.706 119.070 -0.017 0.000 2.321 1240 H HA -0.052 4.504 4.556 0.001 0.000 0.300 1240 H C 2.247 177.566 175.328 -0.016 0.000 1.087 1240 H CA 1.058 57.097 56.048 -0.015 0.000 1.319 1240 H CB -0.127 29.628 29.762 -0.011 0.000 1.379 1240 H HN 0.444 nan 8.280 nan 0.000 0.501 1241 A N 0.033 122.890 122.820 0.062 0.000 2.016 1241 A HA -0.043 4.277 4.320 0.001 0.000 0.217 1241 A C 2.536 180.121 177.584 0.001 0.000 1.162 1241 A CA 0.914 52.936 52.037 -0.026 0.000 0.662 1241 A CB -0.440 18.538 19.000 -0.038 0.000 0.812 1241 A HN 0.308 nan 8.150 nan 0.000 0.450 1242 V N 0.230 120.154 119.914 0.018 0.000 2.407 1242 V HA -0.251 3.869 4.120 0.001 0.000 0.248 1242 V C 2.400 178.498 176.094 0.007 0.000 1.055 1242 V CA 2.290 64.592 62.300 0.004 0.000 1.049 1242 V CB -0.547 31.273 31.823 -0.005 0.000 0.662 1242 V HN 0.544 nan 8.190 nan 0.000 0.455 1243 K N -0.393 120.025 120.400 0.029 0.000 2.155 1243 K HA -0.008 4.312 4.320 0.001 0.000 0.203 1243 K C 1.997 178.609 176.600 0.021 0.000 1.052 1243 K CA 1.222 57.525 56.287 0.027 0.000 0.948 1243 K CB -0.171 32.357 32.500 0.047 0.000 0.728 1243 K HN 0.405 nan 8.250 nan 0.000 0.448 1244 I N 0.242 120.824 120.570 0.021 0.000 2.252 1244 I HA -0.235 3.935 4.170 0.001 0.000 0.245 1244 I C 2.312 178.421 176.117 -0.014 0.000 1.102 1244 I CA 0.765 62.064 61.300 -0.002 0.000 1.385 1244 I CB -0.197 37.786 38.000 -0.028 0.000 1.064 1244 I HN -0.033 nan 8.210 nan 0.000 0.414 1245 V N 0.479 120.385 119.914 -0.014 0.000 2.427 1245 V HA -0.199 3.921 4.120 0.001 0.000 0.248 1245 V C 2.382 178.469 176.094 -0.012 0.000 1.051 1245 V CA 1.652 63.943 62.300 -0.015 0.000 1.048 1245 V CB 0.139 31.956 31.823 -0.010 0.000 0.666 1245 V HN 0.208 nan 8.190 nan 0.000 0.456 1246 V N 0.093 120.001 119.914 -0.010 0.000 2.358 1246 V HA -0.194 3.926 4.120 0.001 0.000 0.246 1246 V C 2.538 178.626 176.094 -0.011 0.000 1.047 1246 V CA 2.235 64.529 62.300 -0.010 0.000 1.035 1246 V CB -0.658 31.160 31.823 -0.009 0.000 0.658 1246 V HN 0.670 nan 8.190 nan 0.000 0.452 1247 E N 0.931 121.125 120.200 -0.010 0.000 2.077 1247 E HA -0.163 4.187 4.350 0.001 0.000 0.193 1247 E C 2.105 178.695 176.600 -0.018 0.000 0.989 1247 E CA 1.690 58.083 56.400 -0.011 0.000 0.800 1247 E CB -0.477 29.219 29.700 -0.007 0.000 0.746 1247 E HN 0.500 nan 8.360 nan 0.000 0.452 1248 A N 0.844 123.651 122.820 -0.022 0.000 1.902 1248 A HA -0.012 4.308 4.320 0.001 0.000 0.217 1248 A C 2.466 180.032 177.584 -0.030 0.000 1.181 1248 A CA 2.000 54.019 52.037 -0.031 0.000 0.623 1248 A CB -1.056 17.923 19.000 -0.035 0.000 0.818 1248 A HN 0.383 nan 8.150 nan 0.000 0.443 1249 A N 0.237 123.042 122.820 -0.024 0.000 1.948 1249 A HA -0.229 4.091 4.320 0.001 0.000 0.220 1249 A C 2.174 179.743 177.584 -0.025 0.000 1.177 1249 A CA 1.669 53.691 52.037 -0.025 0.000 0.636 1249 A CB -0.537 18.452 19.000 -0.020 0.000 0.815 1249 A HN 0.607 nan 8.150 nan 0.000 0.449 1250 R N -0.687 119.800 120.500 -0.020 0.000 2.127 1250 R HA -0.125 4.215 4.340 0.001 0.000 0.238 1250 R C 1.996 178.284 176.300 -0.020 0.000 1.134 1250 R CA 1.575 57.664 56.100 -0.018 0.000 0.975 1250 R CB -0.277 30.014 30.300 -0.014 0.000 0.865 1250 R HN 0.510 nan 8.270 nan 0.000 0.447 1251 R N 0.352 120.837 120.500 -0.025 0.000 2.299 1251 R HA 0.094 4.434 4.340 0.001 0.000 0.197 1251 R C 1.234 177.518 176.300 -0.028 0.000 0.971 1251 R CA 0.476 56.560 56.100 -0.027 0.000 1.030 1251 R CB 0.197 30.477 30.300 -0.034 0.000 0.932 1251 R HN 0.177 nan 8.270 nan 0.000 0.477 1252 L N 0.557 121.762 121.223 -0.030 0.000 2.700 1252 L HA 0.258 4.599 4.340 0.001 0.000 0.234 1252 L C 0.192 177.043 176.870 -0.032 0.000 1.156 1252 L CA -0.196 54.625 54.840 -0.032 0.000 0.946 1252 L CB 0.063 42.099 42.059 -0.038 0.000 1.216 1252 L HN 0.052 nan 8.230 nan 0.000 0.493 1253 L N 0.000 121.207 121.223 -0.027 0.000 2.949 1253 L HA 0.000 4.340 4.340 0.001 0.000 0.249 1253 L CA 0.000 54.825 54.840 -0.026 0.000 0.813 1253 L CB 0.000 42.046 42.059 -0.022 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502