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 1dib_1_B DATA FIRST_RESID 1002 DATA SEQUENCE APAEILNGKE ISAQIRARLK NQVTQLKEQV PGFTPRLAIL QVGNRDDSNL DATA SEQUENCE YINVKLKAAE EIGIKATHIK LPRTTTESEV MKYITSLNED STVHGFLVQL DATA SEQUENCE PLDSENSINT EEVINAIAPE KDVDGLTSIN AGRLARGDLN DCFIPCTPKG DATA SEQUENCE CLELIKETGV PIAGRHAVVV GRSKIVGAPM HDLLLWNNAT VTTCHSKTAH DATA SEQUENCE LDEEVNKGDI LVVATGQPEM VKGEWIKPGA IVIDCGINYV PDDKKPNGRK DATA SEQUENCE VVGDVAYDEA KERASFITPV PGGVGPMTVA MLMQSTVESA KRFLE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1002 A HA 0.000 nan 4.320 nan 0.000 0.244 1002 A C 0.000 177.535 177.584 -0.082 0.000 1.274 1002 A CA 0.000 51.999 52.037 -0.063 0.000 0.836 1002 A CB 0.000 18.963 19.000 -0.062 0.000 0.831 1003 P HA 0.558 nan 4.420 nan 0.000 0.274 1003 P C 0.381 177.604 177.300 -0.130 0.000 1.237 1003 P CA 0.053 63.093 63.100 -0.100 0.000 0.793 1003 P CB 0.996 32.646 31.700 -0.083 0.000 0.977 1004 A N 1.445 124.177 122.820 -0.147 0.000 2.520 1004 A HA 0.068 4.385 4.320 -0.005 0.000 0.235 1004 A C 0.538 178.029 177.584 -0.155 0.000 1.065 1004 A CA -0.009 51.922 52.037 -0.178 0.000 0.764 1004 A CB -0.411 18.506 19.000 -0.137 0.000 1.002 1004 A HN 0.613 nan 8.150 nan 0.000 0.502 1005 E N 0.716 120.768 120.200 -0.247 0.000 2.354 1005 E HA 0.404 4.751 4.350 -0.005 0.000 0.269 1005 E C -0.615 176.020 176.600 0.058 0.000 1.036 1005 E CA 0.108 56.436 56.400 -0.120 0.000 0.876 1005 E CB 0.447 30.018 29.700 -0.215 0.000 1.009 1005 E HN 0.450 nan 8.360 nan 0.000 0.416 1006 I N 4.614 125.246 120.570 0.102 0.000 2.342 1006 I HA 0.123 4.290 4.170 -0.005 0.000 0.291 1006 I C -0.243 175.970 176.117 0.160 0.000 1.010 1006 I CA -0.478 60.910 61.300 0.148 0.000 1.308 1006 I CB 0.702 38.782 38.000 0.134 0.000 1.400 1006 I HN 0.326 nan 8.210 nan 0.000 0.488 1007 L N 6.814 128.136 121.223 0.165 0.000 2.334 1007 L HA 0.202 4.539 4.340 -0.005 0.000 0.286 1007 L C 0.513 177.431 176.870 0.080 0.000 1.108 1007 L CA -0.251 54.663 54.840 0.122 0.000 0.875 1007 L CB -0.262 41.860 42.059 0.104 0.000 1.246 1007 L HN 0.560 nan 8.230 nan 0.000 0.439 1008 N N 2.502 121.241 118.700 0.066 0.000 2.434 1008 N HA 0.017 4.754 4.740 -0.005 0.000 0.273 1008 N C 1.159 176.686 175.510 0.029 0.000 1.210 1008 N CA 0.150 53.226 53.050 0.043 0.000 0.992 1008 N CB 1.534 40.045 38.487 0.039 0.000 1.355 1008 N HN 0.701 nan 8.380 nan 0.000 0.495 1009 G N 2.863 111.677 108.800 0.022 0.000 2.448 1009 G HA2 -0.261 3.696 3.960 -0.005 0.000 0.219 1009 G HA3 -0.261 3.696 3.960 -0.005 0.000 0.219 1009 G C 1.437 176.343 174.900 0.011 0.000 1.127 1009 G CA 0.529 45.637 45.100 0.014 0.000 0.766 1009 G HN 0.545 nan 8.290 nan 0.000 0.552 1010 K N 0.400 120.807 120.400 0.011 0.000 2.062 1010 K HA -0.031 4.286 4.320 -0.005 0.000 0.205 1010 K C 2.299 178.907 176.600 0.012 0.000 1.051 1010 K CA 1.277 57.571 56.287 0.010 0.000 0.941 1010 K CB -0.129 32.376 32.500 0.009 0.000 0.719 1010 K HN 0.374 nan 8.250 nan 0.000 0.440 1011 E N 0.465 120.674 120.200 0.015 0.000 2.072 1011 E HA -0.117 4.231 4.350 -0.005 0.000 0.190 1011 E C 2.077 178.686 176.600 0.015 0.000 0.982 1011 E CA 1.105 57.514 56.400 0.016 0.000 0.803 1011 E CB -0.014 29.698 29.700 0.020 0.000 0.755 1011 E HN 0.327 nan 8.360 nan 0.000 0.453 1012 I N 1.365 121.945 120.570 0.015 0.000 2.226 1012 I HA -0.254 3.913 4.170 -0.005 0.000 0.245 1012 I C 2.627 178.750 176.117 0.010 0.000 1.100 1012 I CA 1.260 62.567 61.300 0.012 0.000 1.374 1012 I CB -0.350 37.656 38.000 0.010 0.000 1.057 1012 I HN 0.115 nan 8.210 nan 0.000 0.413 1013 S N 1.177 116.883 115.700 0.010 0.000 2.423 1013 S HA -0.046 4.421 4.470 -0.005 0.000 0.231 1013 S C 2.160 176.766 174.600 0.010 0.000 1.014 1013 S CA 0.701 58.907 58.200 0.009 0.000 0.965 1013 S CB -0.374 62.831 63.200 0.008 0.000 0.785 1013 S HN 0.393 nan 8.310 nan 0.000 0.495 1014 A N 1.781 124.608 122.820 0.011 0.000 1.898 1014 A HA -0.056 4.261 4.320 -0.005 0.000 0.216 1014 A C 2.353 179.944 177.584 0.012 0.000 1.181 1014 A CA 1.297 53.341 52.037 0.011 0.000 0.620 1014 A CB -0.714 18.293 19.000 0.012 0.000 0.819 1014 A HN 0.632 nan 8.150 nan 0.000 0.442 1015 Q N -0.389 119.418 119.800 0.012 0.000 2.084 1015 Q HA -0.095 4.243 4.340 -0.005 0.000 0.202 1015 Q C 2.059 178.065 176.000 0.012 0.000 0.978 1015 Q CA 1.491 57.301 55.803 0.011 0.000 0.844 1015 Q CB -0.337 28.407 28.738 0.011 0.000 0.898 1015 Q HN 0.720 nan 8.270 nan 0.000 0.426 1016 I N 0.523 121.100 120.570 0.011 0.000 2.127 1016 I HA -0.305 3.862 4.170 -0.005 0.000 0.241 1016 I C 2.420 178.546 176.117 0.014 0.000 1.075 1016 I CA 1.338 62.645 61.300 0.012 0.000 1.334 1016 I CB -0.307 37.700 38.000 0.012 0.000 1.040 1016 I HN 0.170 nan 8.210 nan 0.000 0.405 1017 R N 0.630 121.138 120.500 0.014 0.000 2.120 1017 R HA -0.126 4.211 4.340 -0.005 0.000 0.234 1017 R C 2.410 178.719 176.300 0.015 0.000 1.123 1017 R CA 1.361 57.470 56.100 0.014 0.000 0.975 1017 R CB -0.388 29.919 30.300 0.013 0.000 0.866 1017 R HN 0.395 nan 8.270 nan 0.000 0.446 1018 A N 1.264 124.092 122.820 0.014 0.000 1.873 1018 A HA -0.155 4.162 4.320 -0.005 0.000 0.215 1018 A C 2.078 179.671 177.584 0.015 0.000 1.186 1018 A CA 1.109 53.154 52.037 0.014 0.000 0.616 1018 A CB -0.289 18.719 19.000 0.013 0.000 0.823 1018 A HN 0.208 nan 8.150 nan 0.000 0.442 1019 R N -0.501 120.009 120.500 0.015 0.000 2.092 1019 R HA 0.021 4.358 4.340 -0.005 0.000 0.231 1019 R C 1.961 178.273 176.300 0.020 0.000 1.119 1019 R CA 1.274 57.383 56.100 0.016 0.000 0.970 1019 R CB -0.473 29.836 30.300 0.014 0.000 0.864 1019 R HN 0.480 nan 8.270 nan 0.000 0.440 1020 L N 0.831 122.067 121.223 0.021 0.000 2.141 1020 L HA -0.156 4.181 4.340 -0.005 0.000 0.209 1020 L C 2.623 179.509 176.870 0.027 0.000 1.094 1020 L CA 1.212 56.068 54.840 0.026 0.000 0.763 1020 L CB -0.337 41.738 42.059 0.026 0.000 0.908 1020 L HN 0.185 nan 8.230 nan 0.000 0.437 1021 K N 0.738 121.152 120.400 0.023 0.000 2.001 1021 K HA -0.176 4.141 4.320 -0.005 0.000 0.208 1021 K C 1.741 178.356 176.600 0.025 0.000 1.048 1021 K CA 1.805 58.105 56.287 0.022 0.000 0.932 1021 K CB -0.085 32.426 32.500 0.018 0.000 0.715 1021 K HN 0.378 nan 8.250 nan 0.000 0.437 1022 N N 0.212 118.926 118.700 0.023 0.000 2.104 1022 N HA -0.188 4.549 4.740 -0.005 0.000 0.190 1022 N C 1.998 177.525 175.510 0.028 0.000 1.024 1022 N CA 1.317 54.381 53.050 0.023 0.000 0.853 1022 N CB 0.009 38.508 38.487 0.019 0.000 1.008 1022 N HN 0.308 nan 8.380 nan 0.000 0.424 1023 Q N 0.421 120.240 119.800 0.030 0.000 2.020 1023 Q HA -0.115 4.223 4.340 -0.005 0.000 0.202 1023 Q C 2.270 178.300 176.000 0.051 0.000 0.982 1023 Q CA 1.216 57.041 55.803 0.037 0.000 0.838 1023 Q CB -0.105 28.655 28.738 0.037 0.000 0.899 1023 Q HN 0.222 nan 8.270 nan 0.000 0.423 1024 V N 0.690 120.635 119.914 0.052 0.000 2.332 1024 V HA -0.284 3.833 4.120 -0.005 0.000 0.248 1024 V C 2.230 178.363 176.094 0.065 0.000 1.055 1024 V CA 2.208 64.545 62.300 0.063 0.000 1.038 1024 V CB -0.859 30.989 31.823 0.042 0.000 0.651 1024 V HN 0.461 nan 8.190 nan 0.000 0.450 1025 T N -0.894 113.688 114.554 0.048 0.000 2.684 1025 T HA -0.230 4.117 4.350 -0.005 0.000 0.267 1025 T C 1.968 176.698 174.700 0.051 0.000 1.036 1025 T CA 1.379 63.505 62.100 0.045 0.000 1.148 1025 T CB -0.273 68.615 68.868 0.032 0.000 0.863 1025 T HN 0.387 nan 8.240 nan 0.000 0.436 1026 Q N 0.519 120.347 119.800 0.046 0.000 2.167 1026 Q HA 0.093 4.430 4.340 -0.005 0.000 0.202 1026 Q C 2.444 178.475 176.000 0.053 0.000 0.970 1026 Q CA 0.888 56.716 55.803 0.041 0.000 0.855 1026 Q CB -0.513 28.243 28.738 0.030 0.000 0.911 1026 Q HN 0.508 nan 8.270 nan 0.000 0.438 1027 L N 0.299 121.570 121.223 0.081 0.000 2.056 1027 L HA -0.166 4.171 4.340 -0.005 0.000 0.207 1027 L C 2.329 179.293 176.870 0.156 0.000 1.078 1027 L CA 1.141 56.049 54.840 0.112 0.000 0.749 1027 L CB -0.273 41.905 42.059 0.198 0.000 0.901 1027 L HN 0.145 nan 8.230 nan 0.000 0.433 1028 K N -0.090 120.409 120.400 0.165 0.000 2.148 1028 K HA -0.173 4.144 4.320 -0.005 0.000 0.204 1028 K C 1.929 178.591 176.600 0.103 0.000 1.050 1028 K CA 1.250 57.632 56.287 0.159 0.000 0.942 1028 K CB -0.019 32.546 32.500 0.109 0.000 0.724 1028 K HN 0.363 nan 8.250 nan 0.000 0.446 1029 E N 0.326 120.569 120.200 0.072 0.000 2.170 1029 E HA -0.146 4.201 4.350 -0.005 0.000 0.191 1029 E C 2.041 178.663 176.600 0.037 0.000 0.981 1029 E CA 0.581 57.011 56.400 0.048 0.000 0.830 1029 E CB 0.208 29.929 29.700 0.036 0.000 0.775 1029 E HN 0.121 nan 8.360 nan 0.000 0.470 1030 Q N 0.019 119.838 119.800 0.033 0.000 2.123 1030 Q HA -0.029 4.308 4.340 -0.005 0.000 0.199 1030 Q C -0.018 175.983 176.000 0.001 0.000 0.966 1030 Q CA 0.798 56.607 55.803 0.010 0.000 0.845 1030 Q CB 0.733 29.469 28.738 -0.004 0.000 0.907 1030 Q HN -0.010 nan 8.270 nan 0.000 0.439 1031 V N 2.200 122.126 119.914 0.019 0.000 2.320 1031 V HA 0.340 4.457 4.120 -0.005 0.000 0.268 1031 V C -2.431 173.717 176.094 0.090 0.000 1.021 1031 V CA -1.855 60.453 62.300 0.013 0.000 0.813 1031 V CB 1.008 32.783 31.823 -0.081 0.000 1.054 1031 V HN 0.076 nan 8.190 nan 0.000 0.444 1032 P HA 0.222 nan 4.420 nan 0.000 0.262 1032 P C 1.168 178.537 177.300 0.114 0.000 1.182 1032 P CA 1.719 64.870 63.100 0.085 0.000 0.761 1032 P CB 0.685 32.417 31.700 0.054 0.000 0.795 1033 G N 2.654 111.530 108.800 0.127 0.000 2.258 1033 G HA2 -0.274 3.683 3.960 -0.005 0.000 0.233 1033 G HA3 -0.274 3.683 3.960 -0.005 0.000 0.233 1033 G C 0.089 175.110 174.900 0.203 0.000 1.006 1033 G CA -0.517 44.664 45.100 0.137 0.000 0.620 1033 G HN 0.527 nan 8.290 nan 0.000 0.511 1034 F N 3.445 123.441 119.950 0.076 0.000 2.578 1034 F HA 0.508 5.036 4.527 0.001 0.000 0.376 1034 F C 0.383 176.246 175.800 0.106 0.000 1.085 1034 F CA 0.991 59.055 58.000 0.107 0.000 1.260 1034 F CB 0.918 39.966 39.000 0.080 0.000 1.095 1034 F HN 0.017 nan 8.300 nan 0.000 0.573 1035 T N 7.859 122.131 114.554 -0.470 0.000 3.009 1035 T HA 0.278 4.625 4.350 -0.005 0.000 0.346 1035 T C -2.698 171.720 174.700 -0.471 0.000 1.092 1035 T CA -1.281 60.603 62.100 -0.359 0.000 1.080 1035 T CB 1.143 69.941 68.868 -0.117 0.000 1.037 1035 T HN 0.264 nan 8.240 nan 0.000 0.487 1036 P HA 0.214 nan 4.420 nan 0.000 0.266 1036 P C -0.244 177.052 177.300 -0.006 0.000 1.215 1036 P CA -0.197 62.704 63.100 -0.332 0.000 0.763 1036 P CB 0.500 32.081 31.700 -0.198 0.000 0.806 1037 R N 3.646 124.300 120.500 0.257 0.000 2.534 1037 R HA 0.622 4.959 4.340 -0.005 0.000 0.301 1037 R C -1.479 174.859 176.300 0.062 0.000 0.961 1037 R CA -0.954 55.186 56.100 0.066 0.000 0.871 1037 R CB 0.833 31.090 30.300 -0.071 0.000 1.170 1037 R HN 0.325 nan 8.270 nan 0.000 0.446 1038 L N 3.102 124.347 121.223 0.036 0.000 2.342 1038 L HA 0.840 5.177 4.340 -0.005 0.000 0.271 1038 L C -1.537 175.360 176.870 0.045 0.000 1.008 1038 L CA -0.283 54.585 54.840 0.046 0.000 0.818 1038 L CB 2.129 44.208 42.059 0.035 0.000 1.296 1038 L HN 0.778 nan 8.230 nan 0.000 0.427 1039 A N 5.458 128.329 122.820 0.086 0.000 2.374 1039 A HA 0.784 5.101 4.320 -0.005 0.000 0.305 1039 A C -1.214 176.453 177.584 0.139 0.000 1.053 1039 A CA -0.404 51.687 52.037 0.089 0.000 0.726 1039 A CB 0.915 19.940 19.000 0.041 0.000 1.229 1039 A HN 0.647 nan 8.150 nan 0.000 0.431 1040 I N 2.849 123.494 120.570 0.125 0.000 2.382 1040 I HA 0.285 4.452 4.170 -0.005 0.000 0.286 1040 I C -0.887 175.339 176.117 0.181 0.000 1.002 1040 I CA -0.723 60.659 61.300 0.137 0.000 1.135 1040 I CB 1.684 39.725 38.000 0.068 0.000 1.288 1040 I HN 0.579 nan 8.210 nan 0.000 0.448 1041 L N 7.318 128.628 121.223 0.144 0.000 2.275 1041 L HA 0.422 4.759 4.340 -0.005 0.000 0.288 1041 L C -0.382 176.532 176.870 0.074 0.000 1.046 1041 L CA 0.335 55.218 54.840 0.072 0.000 0.805 1041 L CB 1.198 43.292 42.059 0.058 0.000 1.193 1041 L HN 0.640 nan 8.230 nan 0.000 0.426 1042 Q N 3.671 123.497 119.800 0.044 0.000 2.365 1042 Q HA 0.681 5.018 4.340 -0.005 0.000 0.269 1042 Q C -1.934 174.045 176.000 -0.034 0.000 1.061 1042 Q CA -0.830 55.010 55.803 0.062 0.000 0.816 1042 Q CB 2.219 31.093 28.738 0.227 0.000 1.325 1042 Q HN 0.556 nan 8.270 nan 0.000 0.446 1043 V N 3.591 123.495 119.914 -0.017 0.000 2.444 1043 V HA 0.787 4.905 4.120 -0.005 0.000 0.294 1043 V C 0.460 176.544 176.094 -0.017 0.000 1.022 1043 V CA 0.477 62.753 62.300 -0.040 0.000 0.850 1043 V CB 0.681 32.485 31.823 -0.032 0.000 0.992 1043 V HN 1.100 nan 8.190 nan 0.000 0.426 1044 G N 4.898 113.682 108.800 -0.028 0.000 2.512 1044 G HA2 -0.145 3.813 3.960 -0.005 0.000 0.210 1044 G HA3 -0.145 3.813 3.960 -0.005 0.000 0.210 1044 G C -0.252 174.643 174.900 -0.009 0.000 1.295 1044 G CA 0.220 45.311 45.100 -0.015 0.000 0.934 1044 G HN 0.991 nan 8.290 nan 0.000 0.554 1045 N N -0.087 118.610 118.700 -0.004 0.000 2.595 1045 N HA 0.196 4.933 4.740 -0.005 0.000 0.291 1045 N C 0.275 175.782 175.510 -0.006 0.000 1.706 1045 N CA -0.171 52.878 53.050 -0.001 0.000 0.867 1045 N CB 0.293 38.775 38.487 -0.008 0.000 1.414 1045 N HN 0.693 nan 8.380 nan 0.000 0.492 1046 R N 0.132 120.629 120.500 -0.004 0.000 2.640 1046 R HA 0.022 4.360 4.340 -0.005 0.000 0.270 1046 R C 0.364 176.638 176.300 -0.043 0.000 1.024 1046 R CA 0.036 56.125 56.100 -0.018 0.000 1.085 1046 R CB 0.608 30.904 30.300 -0.006 0.000 0.963 1046 R HN 0.250 nan 8.270 nan 0.000 0.426 1047 D N 1.932 122.294 120.400 -0.062 0.000 2.117 1047 D HA -0.157 4.480 4.640 -0.005 0.000 0.198 1047 D C 1.352 177.549 176.300 -0.173 0.000 0.982 1047 D CA 1.597 55.541 54.000 -0.095 0.000 0.828 1047 D CB -0.095 40.654 40.800 -0.085 0.000 0.967 1047 D HN 0.616 nan 8.370 nan 0.000 0.464 1048 D N 0.209 120.482 120.400 -0.212 0.000 2.117 1048 D HA -0.078 4.559 4.640 -0.005 0.000 0.198 1048 D C 1.868 177.823 176.300 -0.574 0.000 0.982 1048 D CA 0.898 54.622 54.000 -0.460 0.000 0.828 1048 D CB -0.665 39.930 40.800 -0.340 0.000 0.967 1048 D HN -0.045 nan 8.370 nan 0.000 0.464 1049 S N 0.556 116.148 115.700 -0.179 0.000 2.356 1049 S HA -0.136 4.331 4.470 -0.005 0.000 0.223 1049 S C 1.730 176.296 174.600 -0.056 0.000 1.032 1049 S CA 1.100 59.295 58.200 -0.007 0.000 1.005 1049 S CB -0.367 62.862 63.200 0.047 0.000 0.867 1049 S HN 0.260 nan 8.310 nan 0.000 0.449 1050 N N 1.744 120.396 118.700 -0.080 0.000 2.061 1050 N HA -0.064 4.674 4.740 -0.005 0.000 0.193 1050 N C 1.684 177.133 175.510 -0.101 0.000 1.030 1050 N CA 0.929 53.940 53.050 -0.066 0.000 0.856 1050 N CB -0.707 37.753 38.487 -0.045 0.000 1.023 1050 N HN 0.246 nan 8.380 nan 0.000 0.424 1051 L N 0.190 121.309 121.223 -0.173 0.000 1.989 1051 L HA -0.208 4.130 4.340 -0.005 0.000 0.211 1051 L C 2.174 179.001 176.870 -0.072 0.000 1.071 1051 L CA 1.619 56.358 54.840 -0.168 0.000 0.749 1051 L CB -1.111 40.779 42.059 -0.282 0.000 0.890 1051 L HN 0.312 nan 8.230 nan 0.000 0.431 1052 Y N -0.168 120.109 120.300 -0.038 0.000 2.128 1052 Y HA -0.280 4.267 4.550 -0.006 0.000 0.284 1052 Y C 2.719 178.577 175.900 -0.069 0.000 1.154 1052 Y CA 0.696 58.772 58.100 -0.040 0.000 1.149 1052 Y CB -0.227 38.215 38.460 -0.030 0.000 0.976 1052 Y HN 0.113 nan 8.280 nan 0.000 0.505 1053 I N 0.632 121.230 120.570 0.047 0.000 2.163 1053 I HA -0.364 3.803 4.170 -0.005 0.000 0.243 1053 I C 2.291 178.338 176.117 -0.117 0.000 1.085 1053 I CA 1.959 63.196 61.300 -0.106 0.000 1.347 1053 I CB -0.530 37.282 38.000 -0.313 0.000 1.044 1053 I HN 0.369 nan 8.210 nan 0.000 0.408 1054 N N 1.120 119.766 118.700 -0.090 0.000 2.104 1054 N HA -0.171 4.566 4.740 -0.005 0.000 0.190 1054 N C 1.611 177.106 175.510 -0.025 0.000 1.024 1054 N CA 1.814 54.828 53.050 -0.059 0.000 0.853 1054 N CB -0.511 37.951 38.487 -0.041 0.000 1.008 1054 N HN 0.123 nan 8.380 nan 0.000 0.424 1055 V N 0.440 120.356 119.914 0.004 0.000 2.295 1055 V HA -0.213 3.904 4.120 -0.005 0.000 0.246 1055 V C 2.376 178.475 176.094 0.008 0.000 1.049 1055 V CA 1.905 64.216 62.300 0.020 0.000 1.024 1055 V CB -0.639 31.218 31.823 0.057 0.000 0.648 1055 V HN 0.387 nan 8.190 nan 0.000 0.447 1056 K N -0.024 120.377 120.400 0.001 0.000 1.985 1056 K HA -0.123 4.194 4.320 -0.005 0.000 0.210 1056 K C 2.119 178.709 176.600 -0.015 0.000 1.047 1056 K CA 1.520 57.801 56.287 -0.010 0.000 0.932 1056 K CB -0.432 32.056 32.500 -0.020 0.000 0.716 1056 K HN 0.322 nan 8.250 nan 0.000 0.439 1057 L N 1.301 122.505 121.223 -0.031 0.000 2.079 1057 L HA -0.231 4.107 4.340 -0.005 0.000 0.210 1057 L C 2.654 179.519 176.870 -0.008 0.000 1.081 1057 L CA 1.322 56.148 54.840 -0.022 0.000 0.752 1057 L CB -0.458 41.580 42.059 -0.036 0.000 0.896 1057 L HN 0.239 nan 8.230 nan 0.000 0.433 1058 K N 0.398 120.793 120.400 -0.007 0.000 2.025 1058 K HA -0.158 4.159 4.320 -0.005 0.000 0.207 1058 K C 2.202 178.804 176.600 0.003 0.000 1.049 1058 K CA 1.257 57.543 56.287 -0.001 0.000 0.933 1058 K CB -0.062 32.438 32.500 0.000 0.000 0.714 1058 K HN 0.253 nan 8.250 nan 0.000 0.438 1059 A N 1.102 123.924 122.820 0.003 0.000 1.902 1059 A HA -0.102 4.215 4.320 -0.005 0.000 0.217 1059 A C 2.301 179.889 177.584 0.007 0.000 1.181 1059 A CA 1.844 53.884 52.037 0.006 0.000 0.623 1059 A CB -0.732 18.271 19.000 0.006 0.000 0.818 1059 A HN 0.480 nan 8.150 nan 0.000 0.443 1060 A N -0.315 122.508 122.820 0.005 0.000 1.877 1060 A HA -0.151 4.166 4.320 -0.005 0.000 0.216 1060 A C 1.915 179.502 177.584 0.006 0.000 1.186 1060 A CA 1.713 53.754 52.037 0.006 0.000 0.620 1060 A CB -0.438 18.565 19.000 0.005 0.000 0.822 1060 A HN 0.434 nan 8.150 nan 0.000 0.443 1061 E N -0.454 119.749 120.200 0.005 0.000 2.204 1061 E HA -0.172 4.175 4.350 -0.005 0.000 0.194 1061 E C 1.870 178.474 176.600 0.007 0.000 0.989 1061 E CA 1.394 57.797 56.400 0.006 0.000 0.824 1061 E CB -0.214 29.489 29.700 0.006 0.000 0.756 1061 E HN 0.739 nan 8.360 nan 0.000 0.477 1062 E N 0.843 121.047 120.200 0.008 0.000 2.158 1062 E HA -0.021 4.326 4.350 -0.005 0.000 0.191 1062 E C 1.877 178.483 176.600 0.011 0.000 0.982 1062 E CA 0.502 56.908 56.400 0.009 0.000 0.823 1062 E CB -0.158 29.548 29.700 0.009 0.000 0.766 1062 E HN 0.223 nan 8.360 nan 0.000 0.468 1063 I N -0.736 119.841 120.570 0.012 0.000 2.928 1063 I HA 0.045 4.212 4.170 -0.005 0.000 0.266 1063 I C 1.327 177.452 176.117 0.014 0.000 1.234 1063 I CA 0.773 62.082 61.300 0.014 0.000 1.483 1063 I CB -0.065 37.945 38.000 0.016 0.000 1.097 1063 I HN 0.388 nan 8.210 nan 0.000 0.455 1064 G N 1.649 110.455 108.800 0.010 0.000 2.131 1064 G HA2 -0.226 3.731 3.960 -0.005 0.000 0.223 1064 G HA3 -0.226 3.731 3.960 -0.005 0.000 0.223 1064 G C 0.153 175.052 174.900 -0.002 0.000 0.990 1064 G CA -0.459 44.645 45.100 0.007 0.000 0.671 1064 G HN 0.291 nan 8.290 nan 0.000 0.521 1065 I N 0.771 121.340 120.570 -0.001 0.000 2.396 1065 I HA 0.282 4.449 4.170 -0.005 0.000 0.292 1065 I C 0.838 176.952 176.117 -0.005 0.000 0.999 1065 I CA -0.680 60.616 61.300 -0.007 0.000 1.310 1065 I CB 1.476 39.480 38.000 0.006 0.000 1.404 1065 I HN -0.030 nan 8.210 nan 0.000 0.496 1066 K N 6.117 126.510 120.400 -0.013 0.000 2.338 1066 K HA 0.447 4.765 4.320 -0.005 0.000 0.290 1066 K C -0.669 175.932 176.600 0.001 0.000 1.069 1066 K CA -0.295 55.986 56.287 -0.009 0.000 0.941 1066 K CB 0.680 33.167 32.500 -0.021 0.000 1.023 1066 K HN 0.747 nan 8.250 nan 0.000 0.477 1067 A N 4.078 126.903 122.820 0.008 0.000 2.260 1067 A HA 0.354 4.671 4.320 -0.005 0.000 0.314 1067 A C -0.554 177.048 177.584 0.030 0.000 1.257 1067 A CA -0.545 51.503 52.037 0.018 0.000 0.871 1067 A CB 0.909 19.917 19.000 0.013 0.000 1.166 1067 A HN 0.668 nan 8.150 nan 0.000 0.522 1068 T N 2.651 117.227 114.554 0.038 0.000 2.794 1068 T HA 0.373 4.720 4.350 -0.005 0.000 0.280 1068 T C -0.434 174.332 174.700 0.110 0.000 0.987 1068 T CA -0.060 62.071 62.100 0.050 0.000 0.993 1068 T CB 0.465 69.342 68.868 0.016 0.000 0.939 1068 T HN 0.692 nan 8.240 nan 0.000 0.449 1069 H N 3.462 122.525 119.070 -0.011 0.000 2.481 1069 H HA 0.527 5.080 4.556 -0.006 0.000 0.333 1069 H C -0.993 174.319 175.328 -0.028 0.000 1.066 1069 H CA -0.921 55.119 56.048 -0.014 0.000 1.209 1069 H CB 0.671 30.427 29.762 -0.011 0.000 1.445 1069 H HN 0.488 nan 8.280 nan 0.000 0.488 1070 I N 6.172 126.651 120.570 -0.152 0.000 2.390 1070 I HA 0.154 4.322 4.170 -0.005 0.000 0.283 1070 I C -0.339 175.531 176.117 -0.412 0.000 1.016 1070 I CA -0.495 60.642 61.300 -0.272 0.000 1.151 1070 I CB 1.417 39.315 38.000 -0.169 0.000 1.293 1070 I HN 0.386 nan 8.210 nan 0.000 0.458 1071 K N 8.208 128.302 120.400 -0.510 0.000 2.334 1071 K HA 0.514 4.832 4.320 -0.005 0.000 0.265 1071 K C -1.010 175.441 176.600 -0.249 0.000 1.039 1071 K CA -0.509 55.551 56.287 -0.377 0.000 0.920 1071 K CB 0.812 33.075 32.500 -0.394 0.000 1.160 1071 K HN 0.598 nan 8.250 nan 0.000 0.451 1072 L N 6.269 127.354 121.223 -0.230 0.000 2.357 1072 L HA 0.435 4.772 4.340 -0.005 0.000 0.273 1072 L C -1.767 175.035 176.870 -0.113 0.000 1.080 1072 L CA -2.184 52.535 54.840 -0.202 0.000 0.803 1072 L CB 1.050 42.953 42.059 -0.260 0.000 1.174 1072 L HN 0.547 nan 8.230 nan 0.000 0.443 1073 P HA 0.092 nan 4.420 nan 0.000 0.273 1073 P C 0.013 177.291 177.300 -0.037 0.000 1.250 1073 P CA -0.346 62.725 63.100 -0.049 0.000 0.793 1073 P CB 0.749 32.428 31.700 -0.035 0.000 1.011 1074 R N -0.142 120.343 120.500 -0.025 0.000 2.152 1074 R HA -0.070 4.267 4.340 -0.005 0.000 0.232 1074 R C 2.004 178.297 176.300 -0.012 0.000 1.117 1074 R CA 2.062 58.153 56.100 -0.016 0.000 0.981 1074 R CB -1.046 29.247 30.300 -0.012 0.000 0.870 1074 R HN 0.652 nan 8.270 nan 0.000 0.451 1075 T N -1.871 112.676 114.554 -0.012 0.000 3.072 1075 T HA -0.030 4.318 4.350 -0.005 0.000 0.266 1075 T C 0.905 175.603 174.700 -0.003 0.000 1.127 1075 T CA 0.367 62.463 62.100 -0.006 0.000 1.107 1075 T CB -0.292 68.573 68.868 -0.005 0.000 0.910 1075 T HN -0.022 nan 8.240 nan 0.000 0.513 1076 T N 3.740 118.289 114.554 -0.009 0.000 2.946 1076 T HA 0.317 4.664 4.350 -0.005 0.000 0.311 1076 T C 0.763 175.466 174.700 0.005 0.000 1.063 1076 T CA 0.319 62.417 62.100 -0.003 0.000 1.139 1076 T CB 0.782 69.637 68.868 -0.023 0.000 0.994 1076 T HN 0.686 nan 8.240 nan 0.000 0.547 1077 T N -0.548 114.016 114.554 0.016 0.000 2.923 1077 T HA 0.376 4.723 4.350 -0.005 0.000 0.281 1077 T C 1.230 175.945 174.700 0.025 0.000 0.995 1077 T CA -0.939 61.171 62.100 0.018 0.000 0.985 1077 T CB 1.442 70.321 68.868 0.019 0.000 1.114 1077 T HN 0.644 nan 8.240 nan 0.000 0.548 1078 E N 0.277 120.491 120.200 0.024 0.000 2.077 1078 E HA -0.181 4.166 4.350 -0.005 0.000 0.193 1078 E C 2.136 178.759 176.600 0.038 0.000 0.989 1078 E CA 1.626 58.043 56.400 0.029 0.000 0.800 1078 E CB -0.285 29.430 29.700 0.024 0.000 0.746 1078 E HN 0.782 nan 8.360 nan 0.000 0.452 1079 S N 0.358 116.078 115.700 0.034 0.000 2.382 1079 S HA -0.206 4.261 4.470 -0.005 0.000 0.228 1079 S C 1.741 176.374 174.600 0.055 0.000 1.027 1079 S CA 1.333 59.555 58.200 0.036 0.000 0.991 1079 S CB -0.350 62.865 63.200 0.025 0.000 0.823 1079 S HN 0.346 nan 8.310 nan 0.000 0.469 1080 E N 1.051 121.294 120.200 0.072 0.000 2.047 1080 E HA -0.046 4.301 4.350 -0.005 0.000 0.191 1080 E C 2.228 178.950 176.600 0.204 0.000 0.987 1080 E CA 1.197 57.675 56.400 0.131 0.000 0.799 1080 E CB -0.460 29.318 29.700 0.129 0.000 0.752 1080 E HN 0.389 nan 8.360 nan 0.000 0.449 1081 V N 1.669 121.656 119.914 0.121 0.000 2.332 1081 V HA -0.297 3.820 4.120 -0.005 0.000 0.248 1081 V C 2.357 178.531 176.094 0.134 0.000 1.055 1081 V CA 1.501 63.864 62.300 0.104 0.000 1.038 1081 V CB -0.409 31.442 31.823 0.047 0.000 0.651 1081 V HN 0.336 nan 8.190 nan 0.000 0.450 1082 M N -0.261 119.398 119.600 0.097 0.000 2.117 1082 M HA -0.150 4.327 4.480 -0.005 0.000 0.262 1082 M C 2.227 178.568 176.300 0.069 0.000 1.065 1082 M CA 1.757 57.105 55.300 0.079 0.000 1.114 1082 M CB -1.142 31.489 32.600 0.053 0.000 1.361 1082 M HN 0.310 nan 8.290 nan 0.000 0.408 1083 K N 0.237 120.673 120.400 0.060 0.000 2.063 1083 K HA -0.165 4.152 4.320 -0.005 0.000 0.208 1083 K C 1.747 178.310 176.600 -0.061 0.000 1.048 1083 K CA 1.737 58.012 56.287 -0.020 0.000 0.928 1083 K CB -0.653 31.808 32.500 -0.066 0.000 0.713 1083 K HN 0.255 nan 8.250 nan 0.000 0.442 1084 Y N 0.367 120.633 120.300 -0.055 0.000 2.200 1084 Y HA -0.067 4.477 4.550 -0.010 0.000 0.290 1084 Y C 2.005 177.817 175.900 -0.146 0.000 1.137 1084 Y CA 1.604 59.646 58.100 -0.096 0.000 1.163 1084 Y CB -0.105 38.306 38.460 -0.082 0.000 0.988 1084 Y HN -0.001 nan 8.280 nan 0.000 0.518 1085 I N -1.050 119.571 120.570 0.084 0.000 2.226 1085 I HA -0.322 3.845 4.170 -0.005 0.000 0.245 1085 I C 2.181 178.286 176.117 -0.019 0.000 1.100 1085 I CA 1.652 62.975 61.300 0.038 0.000 1.374 1085 I CB -0.701 37.405 38.000 0.176 0.000 1.057 1085 I HN 0.180 nan 8.210 nan 0.000 0.413 1086 T N 0.468 115.021 114.554 -0.002 0.000 2.708 1086 T HA -0.161 4.186 4.350 -0.005 0.000 0.266 1086 T C 2.106 176.761 174.700 -0.075 0.000 1.037 1086 T CA 1.915 64.006 62.100 -0.016 0.000 1.146 1086 T CB -0.290 68.569 68.868 -0.015 0.000 0.865 1086 T HN 0.546 nan 8.240 nan 0.000 0.435 1087 S N 1.681 117.306 115.700 -0.125 0.000 2.382 1087 S HA 0.007 4.474 4.470 -0.005 0.000 0.228 1087 S C 2.089 176.569 174.600 -0.200 0.000 1.027 1087 S CA 0.809 58.912 58.200 -0.162 0.000 0.991 1087 S CB -0.784 62.285 63.200 -0.218 0.000 0.823 1087 S HN 0.398 nan 8.310 nan 0.000 0.469 1088 L N 1.481 122.517 121.223 -0.311 0.000 2.093 1088 L HA -0.072 4.266 4.340 -0.005 0.000 0.208 1088 L C 2.569 179.216 176.870 -0.371 0.000 1.085 1088 L CA 1.077 55.599 54.840 -0.531 0.000 0.755 1088 L CB -0.719 40.617 42.059 -1.205 0.000 0.904 1088 L HN 0.297 nan 8.230 nan 0.000 0.435 1089 N N 0.132 118.718 118.700 -0.189 0.000 2.069 1089 N HA -0.215 4.522 4.740 -0.005 0.000 0.191 1089 N C 1.809 177.319 175.510 0.000 0.000 1.031 1089 N CA 1.298 54.380 53.050 0.053 0.000 0.852 1089 N CB -0.179 38.373 38.487 0.109 0.000 1.018 1089 N HN 0.217 nan 8.380 nan 0.000 0.423 1090 E N 0.696 120.871 120.200 -0.043 0.000 2.274 1090 E HA -0.045 4.302 4.350 -0.005 0.000 0.194 1090 E C -0.248 176.314 176.600 -0.062 0.000 0.996 1090 E CA 0.258 56.635 56.400 -0.038 0.000 0.840 1090 E CB -0.177 29.497 29.700 -0.043 0.000 0.772 1090 E HN 0.206 nan 8.360 nan 0.000 0.491 1091 D N -0.296 120.040 120.400 -0.107 0.000 2.348 1091 D HA -0.027 4.610 4.640 -0.005 0.000 0.259 1091 D C 0.541 176.744 176.300 -0.162 0.000 1.296 1091 D CA 0.123 54.045 54.000 -0.129 0.000 0.931 1091 D CB 0.592 41.294 40.800 -0.163 0.000 1.067 1091 D HN 0.041 nan 8.370 nan 0.000 0.503 1092 S N 1.337 116.958 115.700 -0.132 0.000 2.547 1092 S HA -0.161 4.306 4.470 -0.005 0.000 0.235 1092 S C 1.702 176.078 174.600 -0.373 0.000 0.980 1092 S CA 1.065 59.152 58.200 -0.188 0.000 0.941 1092 S CB -0.343 62.857 63.200 0.001 0.000 0.763 1092 S HN 0.549 nan 8.310 nan 0.000 0.532 1093 T N -1.053 113.316 114.554 -0.307 0.000 3.081 1093 T HA 0.251 4.598 4.350 -0.005 0.000 0.255 1093 T C 0.443 174.790 174.700 -0.589 0.000 1.113 1093 T CA -0.131 61.749 62.100 -0.367 0.000 1.082 1093 T CB -0.348 68.411 68.868 -0.183 0.000 0.939 1093 T HN 0.180 nan 8.240 nan 0.000 0.506 1094 V N 2.305 121.923 119.914 -0.494 0.000 2.383 1094 V HA 0.318 4.435 4.120 -0.005 0.000 0.275 1094 V C 0.684 176.499 176.094 -0.466 0.000 1.036 1094 V CA -0.572 61.495 62.300 -0.389 0.000 0.889 1094 V CB 0.812 32.518 31.823 -0.195 0.000 0.985 1094 V HN 0.495 nan 8.190 nan 0.000 0.459 1095 H N 2.586 121.587 119.070 -0.115 0.000 2.486 1095 H HA 0.442 4.995 4.556 -0.004 0.000 0.287 1095 H C 1.078 176.424 175.328 0.030 0.000 1.010 1095 H CA 0.797 56.800 56.048 -0.075 0.000 1.324 1095 H CB 0.653 30.405 29.762 -0.016 0.000 1.446 1095 H HN 0.736 nan 8.280 nan 0.000 0.537 1096 G N -0.225 108.651 108.800 0.126 0.000 2.742 1096 G HA2 0.463 4.420 3.960 -0.005 0.000 0.296 1096 G HA3 0.463 4.420 3.960 -0.005 0.000 0.296 1096 G C -1.566 173.403 174.900 0.115 0.000 1.436 1096 G CA -0.814 44.307 45.100 0.035 0.000 0.928 1096 G HN 0.204 nan 8.290 nan 0.000 0.520 1097 F N -0.130 119.749 119.950 -0.119 0.000 2.662 1097 F HA 0.880 5.407 4.527 -0.001 0.000 0.312 1097 F C -1.541 174.202 175.800 -0.095 0.000 1.113 1097 F CA -1.553 56.396 58.000 -0.085 0.000 0.951 1097 F CB 1.714 40.681 39.000 -0.054 0.000 1.344 1097 F HN 0.688 nan 8.300 nan 0.000 0.462 1098 L N 0.243 121.498 121.223 0.054 0.000 2.424 1098 L HA 0.902 5.239 4.340 -0.005 0.000 0.258 1098 L C -1.838 175.084 176.870 0.086 0.000 0.995 1098 L CA -1.189 53.616 54.840 -0.059 0.000 0.821 1098 L CB 1.945 43.956 42.059 -0.081 0.000 1.383 1098 L HN 0.578 nan 8.230 nan 0.000 0.410 1099 V N 1.682 121.618 119.914 0.038 0.000 2.328 1099 V HA 0.415 4.532 4.120 -0.005 0.000 0.278 1099 V C 0.063 176.179 176.094 0.035 0.000 1.021 1099 V CA -0.263 62.078 62.300 0.069 0.000 0.838 1099 V CB 0.954 32.818 31.823 0.069 0.000 0.999 1099 V HN 0.908 nan 8.190 nan 0.000 0.447 1100 Q N 4.768 124.597 119.800 0.048 0.000 2.271 1100 Q HA 0.371 4.709 4.340 -0.005 0.000 0.273 1100 Q C -0.977 175.049 176.000 0.044 0.000 1.051 1100 Q CA 0.591 56.420 55.803 0.044 0.000 0.901 1100 Q CB 0.545 29.320 28.738 0.062 0.000 1.174 1100 Q HN 0.688 nan 8.270 nan 0.000 0.385 1101 L N 5.999 127.244 121.223 0.036 0.000 2.334 1101 L HA 0.686 5.023 4.340 -0.005 0.000 0.270 1101 L C -1.851 175.052 176.870 0.055 0.000 1.018 1101 L CA -2.284 52.578 54.840 0.036 0.000 0.811 1101 L CB 1.542 43.613 42.059 0.020 0.000 1.271 1101 L HN 0.710 nan 8.230 nan 0.000 0.443 1102 P HA 0.280 nan 4.420 nan 0.000 0.282 1102 P C -0.874 176.446 177.300 0.033 0.000 1.249 1102 P CA -0.563 62.559 63.100 0.037 0.000 0.806 1102 P CB 1.085 32.806 31.700 0.035 0.000 0.984 1103 L N 1.859 123.097 121.223 0.025 0.000 2.490 1103 L HA 0.072 4.409 4.340 -0.005 0.000 0.274 1103 L C 0.773 177.652 176.870 0.014 0.000 1.201 1103 L CA 0.371 55.222 54.840 0.018 0.000 0.869 1103 L CB -0.216 41.851 42.059 0.015 0.000 1.123 1103 L HN 0.435 nan 8.230 nan 0.000 0.484 1104 D N 2.476 122.882 120.400 0.010 0.000 2.479 1104 D HA 0.298 4.936 4.640 -0.005 0.000 0.247 1104 D C -0.691 175.608 176.300 -0.001 0.000 1.119 1104 D CA 0.023 54.026 54.000 0.005 0.000 0.922 1104 D CB 0.980 41.783 40.800 0.005 0.000 1.014 1104 D HN 0.382 nan 8.370 nan 0.000 0.510 1105 S N 1.909 117.609 115.700 0.000 0.000 2.599 1105 S HA 0.276 4.743 4.470 -0.005 0.000 0.287 1105 S C 0.789 175.389 174.600 0.000 0.000 1.105 1105 S CA -0.678 57.521 58.200 -0.002 0.000 0.899 1105 S CB 1.235 64.434 63.200 -0.001 0.000 1.100 1105 S HN 0.431 nan 8.310 nan 0.000 0.482 1106 E N 1.683 121.883 120.200 -0.001 0.000 2.435 1106 E HA 0.103 4.450 4.350 -0.005 0.000 0.195 1106 E C -0.031 176.570 176.600 0.002 0.000 1.029 1106 E CA 0.164 56.564 56.400 0.000 0.000 0.865 1106 E CB -0.051 29.648 29.700 -0.001 0.000 0.833 1106 E HN 0.377 nan 8.360 nan 0.000 0.510 1107 N N 0.807 119.509 118.700 0.003 0.000 2.443 1107 N HA 0.178 4.915 4.740 -0.005 0.000 0.293 1107 N C -0.979 174.534 175.510 0.007 0.000 1.159 1107 N CA -0.620 52.433 53.050 0.005 0.000 0.904 1107 N CB 1.810 40.300 38.487 0.006 0.000 1.214 1107 N HN -0.101 nan 8.380 nan 0.000 0.513 1108 S N 0.770 116.474 115.700 0.007 0.000 2.481 1108 S HA 0.379 4.846 4.470 -0.005 0.000 0.276 1108 S C 0.199 174.805 174.600 0.011 0.000 1.247 1108 S CA -0.263 57.942 58.200 0.009 0.000 1.053 1108 S CB -0.232 62.973 63.200 0.008 0.000 0.925 1108 S HN 0.283 nan 8.310 nan 0.000 0.491 1109 I N 3.606 124.183 120.570 0.012 0.000 2.466 1109 I HA 0.247 4.415 4.170 -0.005 0.000 0.289 1109 I C -0.126 176.001 176.117 0.015 0.000 1.026 1109 I CA -0.759 60.549 61.300 0.015 0.000 1.078 1109 I CB 1.666 39.675 38.000 0.015 0.000 1.249 1109 I HN 0.414 nan 8.210 nan 0.000 0.429 1110 N N 4.423 123.133 118.700 0.017 0.000 2.466 1110 N HA 0.059 4.797 4.740 -0.005 0.000 0.263 1110 N C 0.943 176.464 175.510 0.018 0.000 1.178 1110 N CA 0.364 53.423 53.050 0.016 0.000 0.983 1110 N CB 0.730 39.227 38.487 0.016 0.000 1.331 1110 N HN 0.587 nan 8.380 nan 0.000 0.500 1111 T N 2.381 116.945 114.554 0.017 0.000 2.685 1111 T HA -0.175 4.172 4.350 -0.005 0.000 0.268 1111 T C 1.366 176.076 174.700 0.017 0.000 1.034 1111 T CA 1.314 63.425 62.100 0.018 0.000 1.149 1111 T CB 0.092 68.969 68.868 0.015 0.000 0.860 1111 T HN 0.567 nan 8.240 nan 0.000 0.449 1112 E N 0.834 121.042 120.200 0.014 0.000 2.051 1112 E HA -0.153 4.194 4.350 -0.005 0.000 0.192 1112 E C 2.399 179.009 176.600 0.017 0.000 0.991 1112 E CA 1.082 57.489 56.400 0.013 0.000 0.799 1112 E CB -0.174 29.532 29.700 0.011 0.000 0.748 1112 E HN 0.631 nan 8.360 nan 0.000 0.449 1113 E N 0.482 120.694 120.200 0.019 0.000 2.077 1113 E HA -0.155 4.193 4.350 -0.005 0.000 0.193 1113 E C 2.301 178.920 176.600 0.032 0.000 0.989 1113 E CA 1.014 57.428 56.400 0.024 0.000 0.800 1113 E CB -0.003 29.710 29.700 0.023 0.000 0.746 1113 E HN 0.043 nan 8.360 nan 0.000 0.452 1114 V N 1.824 121.758 119.914 0.034 0.000 2.233 1114 V HA -0.279 3.839 4.120 -0.005 0.000 0.247 1114 V C 2.310 178.433 176.094 0.049 0.000 1.050 1114 V CA 1.404 63.732 62.300 0.047 0.000 1.010 1114 V CB -0.391 31.459 31.823 0.044 0.000 0.637 1114 V HN 0.286 nan 8.190 nan 0.000 0.444 1115 I N 0.696 121.284 120.570 0.029 0.000 2.208 1115 I HA -0.205 3.963 4.170 -0.005 0.000 0.245 1115 I C 2.009 178.129 176.117 0.006 0.000 1.097 1115 I CA 1.633 62.940 61.300 0.011 0.000 1.363 1115 I CB -1.409 36.590 38.000 -0.002 0.000 1.051 1115 I HN 0.426 nan 8.210 nan 0.000 0.413 1116 N N 0.876 119.585 118.700 0.016 0.000 2.521 1116 N HA 0.032 4.769 4.740 -0.005 0.000 0.188 1116 N C 1.548 177.076 175.510 0.031 0.000 1.146 1116 N CA 0.725 53.785 53.050 0.017 0.000 0.893 1116 N CB 0.313 38.810 38.487 0.017 0.000 0.975 1116 N HN 0.319 nan 8.380 nan 0.000 0.451 1117 A N 0.275 123.124 122.820 0.048 0.000 2.195 1117 A HA 0.187 4.505 4.320 -0.005 0.000 0.210 1117 A C 1.010 178.656 177.584 0.103 0.000 1.165 1117 A CA -0.215 51.865 52.037 0.071 0.000 0.806 1117 A CB 0.073 19.121 19.000 0.080 0.000 0.847 1117 A HN 0.121 nan 8.150 nan 0.000 0.482 1118 I N 1.520 122.138 120.570 0.080 0.000 2.618 1118 I HA 0.141 4.309 4.170 -0.005 0.000 0.284 1118 I C 0.944 177.080 176.117 0.032 0.000 1.146 1118 I CA -0.369 60.964 61.300 0.055 0.000 1.425 1118 I CB 1.003 38.885 38.000 -0.196 0.000 1.383 1118 I HN 0.276 nan 8.210 nan 0.000 0.562 1119 A N 8.838 131.719 122.820 0.102 0.000 2.522 1119 A HA 0.209 4.526 4.320 -0.005 0.000 0.256 1119 A C -1.471 176.140 177.584 0.046 0.000 1.086 1119 A CA -1.025 51.068 52.037 0.093 0.000 0.763 1119 A CB -0.205 18.885 19.000 0.149 0.000 1.024 1119 A HN 0.568 nan 8.150 nan 0.000 0.502 1120 P HA -0.246 nan 4.420 nan 0.000 0.217 1120 P C 1.345 178.779 177.300 0.222 0.000 1.148 1120 P CA 1.702 64.864 63.100 0.103 0.000 0.834 1120 P CB 0.198 31.949 31.700 0.085 0.000 0.783 1121 E N 0.243 120.567 120.200 0.207 0.000 2.482 1121 E HA -0.138 4.209 4.350 -0.005 0.000 0.196 1121 E C 1.032 177.866 176.600 0.390 0.000 1.047 1121 E CA 1.067 57.654 56.400 0.312 0.000 0.869 1121 E CB -0.323 29.500 29.700 0.205 0.000 0.836 1121 E HN 0.289 nan 8.360 nan 0.000 0.520 1122 K N 0.514 120.996 120.400 0.137 0.000 2.402 1122 K HA 0.054 4.372 4.320 -0.005 0.000 0.204 1122 K C 0.060 176.344 176.600 -0.526 0.000 1.056 1122 K CA 0.017 56.255 56.287 -0.081 0.000 1.069 1122 K CB 0.471 33.014 32.500 0.071 0.000 0.888 1122 K HN -0.090 nan 8.250 nan 0.000 0.546 1123 D N 2.423 122.500 120.400 -0.537 0.000 2.662 1123 D HA -0.037 4.600 4.640 -0.005 0.000 0.228 1123 D C 1.321 177.033 176.300 -0.981 0.000 1.093 1123 D CA -0.137 53.489 54.000 -0.623 0.000 1.075 1123 D CB 0.233 40.883 40.800 -0.250 0.000 1.122 1123 D HN -0.014 nan 8.370 nan 0.000 0.475 1124 V N -0.190 119.123 119.914 -1.002 0.000 2.453 1124 V HA -0.202 3.915 4.120 -0.005 0.000 0.252 1124 V C 1.507 177.379 176.094 -0.370 0.000 1.068 1124 V CA 1.524 63.331 62.300 -0.822 0.000 1.070 1124 V CB -0.333 31.227 31.823 -0.439 0.000 0.664 1124 V HN 0.175 nan 8.190 nan 0.000 0.461 1125 D N 1.106 121.338 120.400 -0.280 0.000 2.363 1125 D HA 0.158 4.796 4.640 -0.005 0.000 0.220 1125 D C 1.865 178.120 176.300 -0.074 0.000 0.994 1125 D CA 1.114 55.031 54.000 -0.138 0.000 0.890 1125 D CB -0.231 40.495 40.800 -0.122 0.000 0.906 1125 D HN 0.758 nan 8.370 nan 0.000 0.530 1126 G N 0.919 109.675 108.800 -0.073 0.000 2.321 1126 G HA2 -0.304 3.653 3.960 -0.005 0.000 0.287 1126 G HA3 -0.304 3.653 3.960 -0.005 0.000 0.287 1126 G C 0.892 175.806 174.900 0.022 0.000 1.018 1126 G CA 0.514 45.642 45.100 0.046 0.000 0.855 1126 G HN 0.429 nan 8.290 nan 0.000 0.507 1127 L N 0.418 121.628 121.223 -0.021 0.000 2.585 1127 L HA 0.159 4.496 4.340 -0.005 0.000 0.226 1127 L C 2.046 178.911 176.870 -0.007 0.000 1.113 1127 L CA 0.617 55.450 54.840 -0.012 0.000 0.876 1127 L CB -0.307 41.737 42.059 -0.024 0.000 1.072 1127 L HN 0.482 nan 8.230 nan 0.000 0.468 1128 T N -3.369 111.177 114.554 -0.014 0.000 2.855 1128 T HA 0.020 4.367 4.350 -0.005 0.000 0.314 1128 T C 1.356 176.064 174.700 0.013 0.000 1.077 1128 T CA -0.142 61.955 62.100 -0.005 0.000 1.095 1128 T CB 1.326 70.189 68.868 -0.007 0.000 0.987 1128 T HN 0.007 nan 8.240 nan 0.000 0.546 1129 S N 1.085 116.793 115.700 0.014 0.000 2.368 1129 S HA -0.063 4.404 4.470 -0.005 0.000 0.225 1129 S C 1.982 176.595 174.600 0.022 0.000 1.030 1129 S CA 1.033 59.244 58.200 0.018 0.000 0.999 1129 S CB -0.583 62.626 63.200 0.016 0.000 0.844 1129 S HN 0.689 nan 8.310 nan 0.000 0.459 1130 I N 1.722 122.305 120.570 0.023 0.000 2.226 1130 I HA -0.219 3.949 4.170 -0.005 0.000 0.245 1130 I C 2.392 178.526 176.117 0.027 0.000 1.100 1130 I CA 1.263 62.577 61.300 0.023 0.000 1.374 1130 I CB -0.420 37.596 38.000 0.027 0.000 1.057 1130 I HN 0.302 nan 8.210 nan 0.000 0.413 1131 N N 0.882 119.606 118.700 0.041 0.000 2.171 1131 N HA -0.106 4.631 4.740 -0.005 0.000 0.184 1131 N C 1.846 177.383 175.510 0.045 0.000 1.021 1131 N CA 1.346 54.430 53.050 0.057 0.000 0.854 1131 N CB -0.042 38.505 38.487 0.100 0.000 0.994 1131 N HN 0.288 nan 8.380 nan 0.000 0.426 1132 A N -0.222 122.623 122.820 0.043 0.000 1.933 1132 A HA 0.029 4.346 4.320 -0.005 0.000 0.218 1132 A C 2.260 179.872 177.584 0.046 0.000 1.175 1132 A CA 1.706 53.771 52.037 0.048 0.000 0.628 1132 A CB -1.382 17.642 19.000 0.041 0.000 0.814 1132 A HN 0.451 nan 8.150 nan 0.000 0.444 1133 G N -0.489 108.330 108.800 0.032 0.000 2.418 1133 G HA2 -0.216 3.741 3.960 -0.005 0.000 0.217 1133 G HA3 -0.216 3.741 3.960 -0.005 0.000 0.217 1133 G C 1.782 176.686 174.900 0.006 0.000 1.158 1133 G CA 0.888 46.003 45.100 0.026 0.000 0.771 1133 G HN 0.572 nan 8.290 nan 0.000 0.545 1134 R N -0.587 119.906 120.500 -0.012 0.000 2.075 1134 R HA 0.033 4.370 4.340 -0.005 0.000 0.232 1134 R C 2.474 178.723 176.300 -0.084 0.000 1.126 1134 R CA 1.112 57.178 56.100 -0.057 0.000 0.963 1134 R CB -0.556 29.710 30.300 -0.056 0.000 0.858 1134 R HN 0.366 nan 8.270 nan 0.000 0.435 1135 L N 0.863 122.069 121.223 -0.028 0.000 2.046 1135 L HA -0.067 4.270 4.340 -0.005 0.000 0.208 1135 L C 2.208 179.117 176.870 0.066 0.000 1.077 1135 L CA 1.977 56.816 54.840 -0.002 0.000 0.747 1135 L CB -0.627 41.465 42.059 0.056 0.000 0.896 1135 L HN 0.131 nan 8.230 nan 0.000 0.432 1136 A N -0.849 122.044 122.820 0.121 0.000 2.019 1136 A HA -0.116 4.201 4.320 -0.005 0.000 0.219 1136 A C 1.928 179.708 177.584 0.327 0.000 1.164 1136 A CA 1.198 53.389 52.037 0.256 0.000 0.644 1136 A CB -0.421 18.687 19.000 0.181 0.000 0.805 1136 A HN 0.449 nan 8.150 nan 0.000 0.449 1137 R N -1.335 119.190 120.500 0.041 0.000 2.427 1137 R HA 0.239 4.576 4.340 -0.005 0.000 0.262 1137 R C 0.993 176.846 176.300 -0.744 0.000 0.943 1137 R CA 0.538 56.577 56.100 -0.101 0.000 1.081 1137 R CB -0.445 29.815 30.300 -0.066 0.000 1.166 1137 R HN 0.816 nan 8.270 nan 0.000 0.534 1138 G N 1.351 109.406 108.800 -1.242 0.000 2.131 1138 G HA2 -0.185 3.773 3.960 -0.005 0.000 0.223 1138 G HA3 -0.185 3.773 3.960 -0.005 0.000 0.223 1138 G C -0.333 174.111 174.900 -0.761 0.000 0.990 1138 G CA -0.115 43.914 45.100 -1.785 0.000 0.671 1138 G HN 0.231 nan 8.290 nan 0.000 0.521 1139 D N 1.189 121.319 120.400 -0.450 0.000 3.134 1139 D HA 0.222 4.859 4.640 -0.005 0.000 0.248 1139 D C 2.025 178.204 176.300 -0.201 0.000 1.273 1139 D CA -0.493 53.345 54.000 -0.269 0.000 0.904 1139 D CB 0.185 40.870 40.800 -0.193 0.000 1.089 1139 D HN 0.221 nan 8.370 nan 0.000 0.478 1140 L N 1.195 122.300 121.223 -0.196 0.000 2.456 1140 L HA -0.127 4.211 4.340 -0.005 0.000 0.224 1140 L C 2.077 178.889 176.870 -0.096 0.000 1.148 1140 L CA 0.896 55.672 54.840 -0.106 0.000 0.825 1140 L CB -0.606 41.427 42.059 -0.043 0.000 0.937 1140 L HN 0.286 nan 8.230 nan 0.000 0.450 1141 N N 0.741 119.374 118.700 -0.112 0.000 2.216 1141 N HA -0.180 4.557 4.740 -0.005 0.000 0.183 1141 N C 0.866 176.305 175.510 -0.118 0.000 1.017 1141 N CA 1.695 54.687 53.050 -0.097 0.000 0.861 1141 N CB -0.076 38.358 38.487 -0.088 0.000 0.986 1141 N HN 0.469 nan 8.380 nan 0.000 0.428 1142 D N -0.498 119.811 120.400 -0.153 0.000 2.525 1142 D HA 0.068 4.706 4.640 -0.005 0.000 0.231 1142 D C 0.853 176.952 176.300 -0.335 0.000 1.216 1142 D CA -0.486 53.389 54.000 -0.208 0.000 0.813 1142 D CB -0.828 39.876 40.800 -0.159 0.000 1.108 1142 D HN 0.444 nan 8.370 nan 0.000 0.524 1143 C N -0.097 119.043 119.300 -0.268 0.000 2.563 1143 C HA 0.694 5.151 4.460 -0.005 0.000 0.358 1143 C C 0.468 175.239 174.990 -0.365 0.000 1.336 1143 C CA -1.095 57.755 59.018 -0.280 0.000 2.454 1143 C CB -0.395 27.273 27.740 -0.120 0.000 2.448 1143 C HN 0.085 nan 8.230 nan 0.000 0.670 1144 F N 0.689 120.631 119.950 -0.013 0.000 2.399 1144 F HA 0.673 5.197 4.527 -0.004 0.000 0.334 1144 F C 0.576 176.371 175.800 -0.008 0.000 1.097 1144 F CA -0.609 57.384 58.000 -0.012 0.000 1.076 1144 F CB 0.983 39.969 39.000 -0.023 0.000 1.162 1144 F HN 0.399 nan 8.300 nan 0.000 0.495 1145 I N 3.860 124.548 120.570 0.196 0.000 2.406 1145 I HA 0.323 4.490 4.170 -0.005 0.000 0.290 1145 I C -2.460 173.712 176.117 0.092 0.000 0.999 1145 I CA -2.393 58.974 61.300 0.111 0.000 1.124 1145 I CB 1.753 39.798 38.000 0.076 0.000 1.289 1145 I HN 0.249 nan 8.210 nan 0.000 0.441 1146 P HA -0.064 nan 4.420 nan 0.000 0.264 1146 P C 0.947 178.259 177.300 0.022 0.000 1.183 1146 P CA -0.204 62.913 63.100 0.029 0.000 0.763 1146 P CB 0.396 32.109 31.700 0.021 0.000 0.807 1147 C N 0.973 120.275 119.300 0.003 0.000 2.391 1147 C HA -0.196 4.261 4.460 -0.005 0.000 0.276 1147 C C 2.208 177.196 174.990 -0.003 0.000 1.217 1147 C CA 1.872 60.889 59.018 -0.002 0.000 1.766 1147 C CB -2.200 25.528 27.740 -0.020 0.000 2.046 1147 C HN 0.506 nan 8.230 nan 0.000 0.475 1148 T N 3.068 117.616 114.554 -0.010 0.000 2.643 1148 T HA -0.056 4.292 4.350 -0.005 0.000 0.264 1148 T C 0.029 174.732 174.700 0.006 0.000 1.045 1148 T CA 2.544 64.639 62.100 -0.008 0.000 1.155 1148 T CB -1.517 67.341 68.868 -0.016 0.000 0.863 1148 T HN 0.547 nan 8.240 nan 0.000 0.420 1149 P HA -0.073 nan 4.420 nan 0.000 0.220 1149 P C 1.324 178.638 177.300 0.025 0.000 1.148 1149 P CA 1.197 64.312 63.100 0.025 0.000 0.803 1149 P CB 0.032 31.754 31.700 0.037 0.000 0.782 1150 K N 0.354 120.769 120.400 0.025 0.000 2.057 1150 K HA -0.052 4.265 4.320 -0.005 0.000 0.206 1150 K C 2.342 178.952 176.600 0.017 0.000 1.050 1150 K CA 1.588 57.891 56.287 0.026 0.000 0.935 1150 K CB -0.861 31.660 32.500 0.034 0.000 0.715 1150 K HN 0.051 nan 8.250 nan 0.000 0.439 1151 G N 0.371 109.178 108.800 0.011 0.000 2.422 1151 G HA2 -0.209 3.748 3.960 -0.005 0.000 0.218 1151 G HA3 -0.209 3.748 3.960 -0.005 0.000 0.218 1151 G C 1.540 176.443 174.900 0.004 0.000 1.140 1151 G CA 0.776 45.880 45.100 0.006 0.000 0.775 1151 G HN 0.391 nan 8.290 nan 0.000 0.545 1152 C N -0.193 119.111 119.300 0.007 0.000 2.440 1152 C HA 0.050 4.507 4.460 -0.005 0.000 0.278 1152 C C 2.670 177.661 174.990 0.001 0.000 1.295 1152 C CA 0.649 59.671 59.018 0.007 0.000 1.738 1152 C CB -0.844 26.904 27.740 0.013 0.000 1.987 1152 C HN 0.446 nan 8.230 nan 0.000 0.492 1153 L N 1.323 122.548 121.223 0.002 0.000 2.141 1153 L HA -0.065 4.272 4.340 -0.005 0.000 0.209 1153 L C 2.424 179.286 176.870 -0.014 0.000 1.094 1153 L CA 1.990 56.828 54.840 -0.004 0.000 0.763 1153 L CB -0.677 41.386 42.059 0.005 0.000 0.908 1153 L HN 0.266 nan 8.230 nan 0.000 0.437 1154 E N -0.377 119.818 120.200 -0.009 0.000 2.072 1154 E HA -0.198 4.149 4.350 -0.005 0.000 0.191 1154 E C 2.113 178.696 176.600 -0.028 0.000 0.985 1154 E CA 1.638 58.030 56.400 -0.014 0.000 0.801 1154 E CB -0.349 29.348 29.700 -0.005 0.000 0.750 1154 E HN 0.549 nan 8.360 nan 0.000 0.452 1155 L N 0.094 121.303 121.223 -0.024 0.000 2.017 1155 L HA -0.149 4.188 4.340 -0.005 0.000 0.208 1155 L C 2.498 179.325 176.870 -0.071 0.000 1.073 1155 L CA 1.105 55.925 54.840 -0.032 0.000 0.745 1155 L CB -0.435 41.619 42.059 -0.008 0.000 0.894 1155 L HN 0.222 nan 8.230 nan 0.000 0.432 1156 I N -0.221 120.313 120.570 -0.061 0.000 2.208 1156 I HA -0.306 3.861 4.170 -0.005 0.000 0.245 1156 I C 2.460 178.501 176.117 -0.126 0.000 1.097 1156 I CA 1.468 62.714 61.300 -0.089 0.000 1.363 1156 I CB -0.333 37.636 38.000 -0.051 0.000 1.051 1156 I HN 0.236 nan 8.210 nan 0.000 0.413 1157 K N 0.291 120.637 120.400 -0.089 0.000 2.217 1157 K HA -0.120 4.197 4.320 -0.005 0.000 0.202 1157 K C 1.930 178.462 176.600 -0.113 0.000 1.051 1157 K CA 0.681 56.915 56.287 -0.088 0.000 0.952 1157 K CB -0.042 32.427 32.500 -0.051 0.000 0.736 1157 K HN 0.226 nan 8.250 nan 0.000 0.453 1158 E N 0.403 120.532 120.200 -0.118 0.000 2.204 1158 E HA -0.144 4.203 4.350 -0.005 0.000 0.195 1158 E C 1.993 178.468 176.600 -0.207 0.000 0.990 1158 E CA 1.547 57.876 56.400 -0.118 0.000 0.821 1158 E CB -0.126 29.525 29.700 -0.082 0.000 0.750 1158 E HN 0.457 nan 8.360 nan 0.000 0.477 1159 T N -3.119 111.203 114.554 -0.388 0.000 2.915 1159 T HA -0.014 4.333 4.350 -0.005 0.000 0.269 1159 T C 1.683 176.139 174.700 -0.408 0.000 1.071 1159 T CA 1.562 63.190 62.100 -0.786 0.000 1.132 1159 T CB -0.004 68.088 68.868 -1.293 0.000 0.878 1159 T HN 0.258 nan 8.240 nan 0.000 0.479 1160 G N 0.354 109.020 108.800 -0.222 0.000 2.241 1160 G HA2 -0.242 3.715 3.960 -0.005 0.000 0.244 1160 G HA3 -0.242 3.715 3.960 -0.005 0.000 0.244 1160 G C 0.138 174.996 174.900 -0.071 0.000 0.998 1160 G CA -0.061 44.978 45.100 -0.101 0.000 0.621 1160 G HN 0.831 nan 8.290 nan 0.000 0.519 1161 V N 2.958 122.812 119.914 -0.100 0.000 2.470 1161 V HA 0.385 4.502 4.120 -0.005 0.000 0.276 1161 V C -1.174 174.896 176.094 -0.039 0.000 1.040 1161 V CA -1.022 61.256 62.300 -0.038 0.000 1.008 1161 V CB 0.758 32.576 31.823 -0.008 0.000 0.990 1161 V HN 0.207 nan 8.190 nan 0.000 0.477 1162 P HA 0.203 nan 4.420 nan 0.000 0.266 1162 P C 0.840 178.130 177.300 -0.016 0.000 1.195 1162 P CA 0.048 63.138 63.100 -0.017 0.000 0.768 1162 P CB 0.719 32.415 31.700 -0.007 0.000 0.838 1163 I N 1.166 121.722 120.570 -0.022 0.000 2.400 1163 I HA -0.032 4.135 4.170 -0.005 0.000 0.248 1163 I C 1.134 177.235 176.117 -0.026 0.000 1.109 1163 I CA 0.261 61.546 61.300 -0.026 0.000 1.425 1163 I CB -0.502 37.478 38.000 -0.033 0.000 1.094 1163 I HN 0.342 nan 8.210 nan 0.000 0.425 1164 A N 1.148 123.954 122.820 -0.023 0.000 2.584 1164 A HA 0.257 4.574 4.320 -0.005 0.000 0.239 1164 A C 1.486 179.059 177.584 -0.019 0.000 1.043 1164 A CA 0.953 52.975 52.037 -0.025 0.000 0.756 1164 A CB -0.602 18.389 19.000 -0.015 0.000 0.963 1164 A HN 0.788 nan 8.150 nan 0.000 0.511 1165 G N 2.055 110.839 108.800 -0.027 0.000 2.267 1165 G HA2 -0.257 3.701 3.960 -0.005 0.000 0.257 1165 G HA3 -0.257 3.701 3.960 -0.005 0.000 0.257 1165 G C 0.550 175.451 174.900 0.001 0.000 0.998 1165 G CA 0.592 45.685 45.100 -0.013 0.000 0.620 1165 G HN 0.921 nan 8.290 nan 0.000 0.529 1166 R N 0.193 120.692 120.500 -0.002 0.000 2.531 1166 R HA 0.424 4.761 4.340 -0.005 0.000 0.273 1166 R C -0.240 176.077 176.300 0.029 0.000 1.070 1166 R CA -0.550 55.565 56.100 0.025 0.000 1.112 1166 R CB 0.611 30.924 30.300 0.022 0.000 1.049 1166 R HN 0.452 nan 8.270 nan 0.000 0.508 1167 H N 0.282 119.344 119.070 -0.013 0.000 2.652 1167 H HA 0.354 4.907 4.556 -0.005 0.000 0.298 1167 H C -0.921 174.403 175.328 -0.006 0.000 1.076 1167 H CA -0.137 55.903 56.048 -0.014 0.000 1.360 1167 H CB 0.830 30.587 29.762 -0.009 0.000 1.421 1167 H HN 0.665 nan 8.280 nan 0.000 0.464 1168 A N 4.911 127.646 122.820 -0.142 0.000 2.330 1168 A HA 0.572 4.890 4.320 -0.005 0.000 0.327 1168 A C -1.013 176.551 177.584 -0.033 0.000 1.155 1168 A CA -0.700 51.313 52.037 -0.040 0.000 0.803 1168 A CB 1.082 20.042 19.000 -0.067 0.000 1.208 1168 A HN 0.543 nan 8.150 nan 0.000 0.477 1169 V N 2.660 122.615 119.914 0.068 0.000 2.459 1169 V HA 0.474 4.591 4.120 -0.005 0.000 0.295 1169 V C -0.505 175.630 176.094 0.068 0.000 1.029 1169 V CA -0.456 61.896 62.300 0.086 0.000 0.874 1169 V CB 1.704 33.607 31.823 0.134 0.000 0.985 1169 V HN 0.636 nan 8.190 nan 0.000 0.438 1170 V N 5.491 125.444 119.914 0.065 0.000 2.376 1170 V HA 0.369 4.486 4.120 -0.005 0.000 0.287 1170 V C -0.229 175.906 176.094 0.069 0.000 1.015 1170 V CA -0.613 61.728 62.300 0.068 0.000 0.834 1170 V CB 1.831 33.701 31.823 0.078 0.000 1.001 1170 V HN 0.614 nan 8.190 nan 0.000 0.428 1171 V N 4.239 124.197 119.914 0.073 0.000 2.334 1171 V HA 0.877 4.994 4.120 -0.005 0.000 0.267 1171 V C 0.709 176.846 176.094 0.071 0.000 1.040 1171 V CA 0.336 62.681 62.300 0.076 0.000 0.866 1171 V CB 0.428 32.310 31.823 0.097 0.000 1.019 1171 V HN 1.250 nan 8.190 nan 0.000 0.468 1172 G N 4.993 113.841 108.800 0.079 0.000 2.841 1172 G HA2 0.046 4.003 3.960 -0.005 0.000 0.684 1172 G HA3 0.046 4.003 3.960 -0.005 0.000 0.684 1172 G C -0.472 174.471 174.900 0.070 0.000 1.273 1172 G CA -0.470 44.675 45.100 0.074 0.000 0.811 1172 G HN 1.022 nan 8.290 nan 0.000 0.631 1173 R N 0.226 120.763 120.500 0.062 0.000 2.688 1173 R HA 0.559 4.896 4.340 -0.005 0.000 0.396 1173 R C 0.710 177.018 176.300 0.014 0.000 1.081 1173 R CA 0.084 56.205 56.100 0.035 0.000 1.093 1173 R CB 0.252 30.569 30.300 0.028 0.000 1.338 1173 R HN 1.032 nan 8.270 nan 0.000 0.613 1174 S N 0.074 115.786 115.700 0.020 0.000 2.632 1174 S HA 0.244 4.711 4.470 -0.005 0.000 0.267 1174 S C 0.796 175.404 174.600 0.013 0.000 1.276 1174 S CA -0.793 57.414 58.200 0.012 0.000 0.998 1174 S CB 1.751 64.958 63.200 0.013 0.000 0.953 1174 S HN 0.379 nan 8.310 nan 0.000 0.547 1175 K N 0.089 120.494 120.400 0.009 0.000 2.148 1175 K HA 0.005 4.322 4.320 -0.005 0.000 0.204 1175 K C 1.641 178.250 176.600 0.014 0.000 1.050 1175 K CA 0.962 57.256 56.287 0.012 0.000 0.942 1175 K CB -0.320 32.185 32.500 0.007 0.000 0.724 1175 K HN 0.528 nan 8.250 nan 0.000 0.446 1176 I N 0.246 120.821 120.570 0.008 0.000 2.333 1176 I HA -0.136 4.031 4.170 -0.005 0.000 0.246 1176 I C 1.990 178.112 176.117 0.010 0.000 1.106 1176 I CA 1.296 62.597 61.300 0.003 0.000 1.411 1176 I CB -0.607 37.388 38.000 -0.008 0.000 1.082 1176 I HN -0.086 nan 8.210 nan 0.000 0.420 1177 V N -0.202 119.721 119.914 0.015 0.000 3.668 1177 V HA 0.335 4.452 4.120 -0.005 0.000 0.199 1177 V C 2.398 178.514 176.094 0.037 0.000 1.241 1177 V CA 0.825 63.138 62.300 0.022 0.000 1.308 1177 V CB -1.030 30.802 31.823 0.014 0.000 1.411 1177 V HN 0.256 nan 8.190 nan 0.000 0.535 1178 G N 0.637 109.460 108.800 0.037 0.000 2.556 1178 G HA2 -0.322 3.635 3.960 -0.005 0.000 0.220 1178 G HA3 -0.322 3.635 3.960 -0.005 0.000 0.220 1178 G C 1.656 176.593 174.900 0.061 0.000 1.156 1178 G CA 2.081 47.210 45.100 0.049 0.000 0.766 1178 G HN 0.689 nan 8.290 nan 0.000 0.583 1179 A N 1.532 124.380 122.820 0.047 0.000 1.841 1179 A HA 0.059 4.376 4.320 -0.005 0.000 0.214 1179 A C 0.978 178.629 177.584 0.111 0.000 1.195 1179 A CA 2.121 54.189 52.037 0.051 0.000 0.611 1179 A CB -1.149 17.867 19.000 0.027 0.000 0.835 1179 A HN 0.433 nan 8.150 nan 0.000 0.443 1180 P HA -0.155 nan 4.420 nan 0.000 0.220 1180 P C 1.532 178.900 177.300 0.113 0.000 1.148 1180 P CA 1.459 64.626 63.100 0.110 0.000 0.803 1180 P CB -0.183 31.563 31.700 0.077 0.000 0.782 1181 M N -0.160 119.497 119.600 0.096 0.000 2.117 1181 M HA -0.170 4.307 4.480 -0.005 0.000 0.262 1181 M C 2.413 178.767 176.300 0.090 0.000 1.065 1181 M CA 1.649 56.995 55.300 0.078 0.000 1.114 1181 M CB -1.525 31.113 32.600 0.064 0.000 1.361 1181 M HN -0.008 nan 8.290 nan 0.000 0.408 1182 H N -0.350 118.727 119.070 0.011 0.000 2.321 1182 H HA -0.156 4.397 4.556 -0.005 0.000 0.300 1182 H C 1.196 176.509 175.328 -0.026 0.000 1.087 1182 H CA 2.230 58.267 56.048 -0.019 0.000 1.319 1182 H CB -0.429 29.324 29.762 -0.014 0.000 1.379 1182 H HN 0.337 nan 8.280 nan 0.000 0.501 1183 D N 1.200 121.679 120.400 0.132 0.000 2.133 1183 D HA -0.160 4.477 4.640 -0.005 0.000 0.195 1183 D C 2.705 179.058 176.300 0.089 0.000 0.997 1183 D CA 0.991 55.068 54.000 0.128 0.000 0.840 1183 D CB -0.466 40.522 40.800 0.312 0.000 0.947 1183 D HN 0.400 nan 8.370 nan 0.000 0.452 1184 L N 0.099 121.365 121.223 0.072 0.000 1.994 1184 L HA -0.152 4.186 4.340 -0.005 0.000 0.208 1184 L C 2.647 179.506 176.870 -0.018 0.000 1.071 1184 L CA 0.825 55.702 54.840 0.063 0.000 0.745 1184 L CB -0.447 41.640 42.059 0.046 0.000 0.892 1184 L HN 0.050 nan 8.230 nan 0.000 0.431 1185 L N -0.767 120.398 121.223 -0.095 0.000 2.046 1185 L HA -0.240 4.097 4.340 -0.005 0.000 0.208 1185 L C 2.583 179.295 176.870 -0.262 0.000 1.077 1185 L CA 0.788 55.541 54.840 -0.146 0.000 0.747 1185 L CB -0.518 41.461 42.059 -0.133 0.000 0.896 1185 L HN 0.241 nan 8.230 nan 0.000 0.432 1186 L N -0.420 120.514 121.223 -0.482 0.000 1.989 1186 L HA -0.187 4.150 4.340 -0.005 0.000 0.211 1186 L C 1.982 178.452 176.870 -0.666 0.000 1.071 1186 L CA 1.939 56.349 54.840 -0.717 0.000 0.749 1186 L CB -0.685 40.681 42.059 -1.156 0.000 0.890 1186 L HN 0.185 nan 8.230 nan 0.000 0.431 1187 W N -0.286 120.935 121.300 -0.131 0.000 2.961 1187 W HA 0.011 4.668 4.660 -0.005 0.000 0.240 1187 W C 1.552 178.032 176.519 -0.064 0.000 1.305 1187 W CA 0.088 57.385 57.345 -0.080 0.000 1.465 1187 W CB -0.351 29.072 29.460 -0.063 0.000 1.135 1187 W HN 0.226 nan 8.180 nan 0.000 0.688 1188 N N 0.956 119.668 118.700 0.020 0.000 2.273 1188 N HA -0.027 4.710 4.740 -0.005 0.000 0.231 1188 N C -0.169 175.318 175.510 -0.038 0.000 1.134 1188 N CA 0.155 53.209 53.050 0.008 0.000 0.856 1188 N CB -0.117 38.366 38.487 -0.007 0.000 1.068 1188 N HN 0.041 nan 8.380 nan 0.000 0.510 1189 N N 0.241 118.896 118.700 -0.074 0.000 2.714 1189 N HA -0.173 4.564 4.740 -0.005 0.000 0.250 1189 N C -0.337 175.105 175.510 -0.114 0.000 1.117 1189 N CA 0.737 53.729 53.050 -0.097 0.000 0.719 1189 N CB -1.394 37.069 38.487 -0.040 0.000 1.081 1189 N HN 0.353 nan 8.380 nan 0.000 0.557 1190 A N -0.509 122.219 122.820 -0.152 0.000 2.279 1190 A HA 0.623 4.940 4.320 -0.005 0.000 0.303 1190 A C 0.526 177.987 177.584 -0.205 0.000 1.108 1190 A CA -0.136 51.813 52.037 -0.146 0.000 0.830 1190 A CB 0.685 19.603 19.000 -0.136 0.000 1.106 1190 A HN 0.114 nan 8.150 nan 0.000 0.493 1191 T N 2.100 116.532 114.554 -0.204 0.000 2.782 1191 T HA 0.416 4.763 4.350 -0.005 0.000 0.298 1191 T C -0.072 174.369 174.700 -0.432 0.000 0.944 1191 T CA -0.050 61.894 62.100 -0.260 0.000 1.001 1191 T CB -0.318 68.446 68.868 -0.173 0.000 0.932 1191 T HN 0.408 nan 8.240 nan 0.000 0.524 1192 V N 4.162 123.883 119.914 -0.320 0.000 2.465 1192 V HA 0.421 4.538 4.120 -0.005 0.000 0.279 1192 V C 0.627 176.632 176.094 -0.147 0.000 1.045 1192 V CA -0.702 61.448 62.300 -0.250 0.000 0.938 1192 V CB 1.403 33.123 31.823 -0.171 0.000 0.986 1192 V HN 0.769 nan 8.190 nan 0.000 0.467 1193 T N 3.247 117.733 114.554 -0.113 0.000 2.791 1193 T HA 0.378 4.726 4.350 -0.005 0.000 0.288 1193 T C 0.041 174.771 174.700 0.049 0.000 0.999 1193 T CA -0.286 61.822 62.100 0.015 0.000 0.952 1193 T CB 1.058 70.007 68.868 0.136 0.000 0.938 1193 T HN 0.750 nan 8.240 nan 0.000 0.444 1194 T N 3.277 117.861 114.554 0.051 0.000 2.767 1194 T HA 0.454 4.801 4.350 -0.005 0.000 0.288 1194 T C 0.123 174.842 174.700 0.031 0.000 0.963 1194 T CA -0.485 61.646 62.100 0.051 0.000 1.019 1194 T CB 0.189 69.070 68.868 0.023 0.000 0.923 1194 T HN 0.653 nan 8.240 nan 0.000 0.468 1195 C N 3.159 122.466 119.300 0.010 0.000 2.486 1195 C HA 0.927 5.384 4.460 -0.005 0.000 0.348 1195 C C 0.198 175.159 174.990 -0.048 0.000 1.203 1195 C CA -0.707 58.241 59.018 -0.118 0.000 1.911 1195 C CB 0.672 28.371 27.740 -0.069 0.000 2.340 1195 C HN 1.205 nan 8.230 nan 0.000 0.511 1196 H N -2.116 116.965 119.070 0.019 0.000 3.054 1196 H HA 0.403 4.956 4.556 -0.005 0.000 0.271 1196 H C 0.786 176.125 175.328 0.018 0.000 1.551 1196 H CA 0.080 56.138 56.048 0.017 0.000 1.196 1196 H CB -0.121 29.642 29.762 0.003 0.000 1.867 1196 H HN 0.380 nan 8.280 nan 0.000 0.637 1197 S N -0.713 115.130 115.700 0.238 0.000 2.474 1197 S HA -0.080 4.387 4.470 -0.005 0.000 0.235 1197 S C 0.992 175.673 174.600 0.136 0.000 0.997 1197 S CA 0.776 59.060 58.200 0.141 0.000 0.949 1197 S CB -0.258 63.005 63.200 0.106 0.000 0.766 1197 S HN 0.466 nan 8.310 nan 0.000 0.517 1198 K N 1.442 122.024 120.400 0.303 0.000 2.374 1198 K HA 0.235 4.553 4.320 -0.005 0.000 0.196 1198 K C 0.019 176.615 176.600 -0.006 0.000 1.023 1198 K CA 0.100 56.496 56.287 0.181 0.000 1.103 1198 K CB -0.121 32.552 32.500 0.289 0.000 0.848 1198 K HN 0.323 nan 8.250 nan 0.000 0.528 1199 T N 2.126 116.553 114.554 -0.211 0.000 2.834 1199 T HA 0.283 4.630 4.350 -0.005 0.000 0.298 1199 T C 0.164 174.761 174.700 -0.171 0.000 0.966 1199 T CA -0.190 61.750 62.100 -0.265 0.000 1.141 1199 T CB 0.961 69.629 68.868 -0.332 0.000 0.905 1199 T HN 0.174 nan 8.240 nan 0.000 0.535 1200 A N 3.011 125.722 122.820 -0.182 0.000 2.302 1200 A HA 0.495 4.812 4.320 -0.005 0.000 0.285 1200 A C 0.226 177.650 177.584 -0.266 0.000 1.105 1200 A CA -0.615 51.246 52.037 -0.293 0.000 0.816 1200 A CB -0.351 18.428 19.000 -0.368 0.000 1.067 1200 A HN 1.104 nan 8.150 nan 0.000 0.489 1201 H N -0.589 118.402 119.070 -0.132 0.000 2.604 1201 H HA -0.176 4.377 4.556 -0.005 0.000 0.321 1201 H C 0.685 175.854 175.328 -0.264 0.000 1.132 1201 H CA 0.382 56.316 56.048 -0.190 0.000 1.129 1201 H CB -1.295 28.375 29.762 -0.154 0.000 1.526 1201 H HN 0.584 nan 8.280 nan 0.000 0.415 1202 L N 1.461 122.547 121.223 -0.228 0.000 2.127 1202 L HA -0.191 4.146 4.340 -0.005 0.000 0.211 1202 L C 2.306 178.847 176.870 -0.549 0.000 1.089 1202 L CA 2.429 57.098 54.840 -0.285 0.000 0.757 1202 L CB -0.299 41.653 42.059 -0.179 0.000 0.899 1202 L HN 0.642 nan 8.230 nan 0.000 0.434 1203 D N -1.025 118.772 120.400 -1.005 0.000 2.117 1203 D HA -0.262 4.375 4.640 -0.005 0.000 0.197 1203 D C 1.705 177.652 176.300 -0.588 0.000 0.987 1203 D CA 1.752 54.885 54.000 -1.444 0.000 0.829 1203 D CB -0.471 39.266 40.800 -1.772 0.000 0.961 1203 D HN 0.559 nan 8.370 nan 0.000 0.460 1204 E N 0.249 120.229 120.200 -0.366 0.000 2.152 1204 E HA -0.102 4.245 4.350 -0.005 0.000 0.192 1204 E C 2.120 178.634 176.600 -0.143 0.000 0.983 1204 E CA 0.622 56.897 56.400 -0.208 0.000 0.818 1204 E CB 0.131 29.727 29.700 -0.173 0.000 0.758 1204 E HN 0.283 nan 8.360 nan 0.000 0.467 1205 E N 0.520 120.640 120.200 -0.132 0.000 2.028 1205 E HA -0.134 4.213 4.350 -0.005 0.000 0.191 1205 E C 2.345 178.930 176.600 -0.024 0.000 0.988 1205 E CA 0.781 57.141 56.400 -0.067 0.000 0.799 1205 E CB -0.295 29.371 29.700 -0.057 0.000 0.755 1205 E HN 0.115 nan 8.360 nan 0.000 0.447 1206 V N 2.648 122.555 119.914 -0.012 0.000 2.407 1206 V HA -0.220 3.897 4.120 -0.005 0.000 0.248 1206 V C 2.170 178.311 176.094 0.078 0.000 1.055 1206 V CA 1.576 63.931 62.300 0.093 0.000 1.049 1206 V CB -0.627 31.346 31.823 0.251 0.000 0.662 1206 V HN 0.329 nan 8.190 nan 0.000 0.455 1207 N N 0.264 118.978 118.700 0.022 0.000 2.609 1207 N HA -0.127 4.610 4.740 -0.005 0.000 0.190 1207 N C 1.274 176.770 175.510 -0.022 0.000 1.157 1207 N CA 0.623 53.682 53.050 0.016 0.000 0.918 1207 N CB 0.116 38.592 38.487 -0.020 0.000 0.978 1207 N HN 0.411 nan 8.380 nan 0.000 0.448 1208 K N -0.098 120.271 120.400 -0.051 0.000 2.358 1208 K HA 0.141 4.458 4.320 -0.005 0.000 0.197 1208 K C 0.575 177.133 176.600 -0.071 0.000 1.025 1208 K CA -0.066 56.135 56.287 -0.143 0.000 1.104 1208 K CB 0.672 32.988 32.500 -0.307 0.000 0.855 1208 K HN 0.029 nan 8.250 nan 0.000 0.531 1209 G N 1.691 110.528 108.800 0.061 0.000 2.327 1209 G HA2 0.097 4.054 3.960 -0.005 0.000 0.302 1209 G HA3 0.097 4.054 3.960 -0.005 0.000 0.302 1209 G C 0.132 175.094 174.900 0.103 0.000 1.113 1209 G CA -0.416 44.771 45.100 0.145 0.000 0.921 1209 G HN -0.042 nan 8.290 nan 0.000 0.425 1210 D N 1.762 122.229 120.400 0.111 0.000 2.224 1210 D HA -0.031 4.607 4.640 -0.005 0.000 0.205 1210 D C 0.813 177.162 176.300 0.080 0.000 0.965 1210 D CA 1.112 55.162 54.000 0.083 0.000 0.852 1210 D CB 0.709 41.557 40.800 0.079 0.000 0.947 1210 D HN 0.351 nan 8.370 nan 0.000 0.494 1211 I N 1.157 121.775 120.570 0.079 0.000 2.499 1211 I HA 0.233 4.400 4.170 -0.005 0.000 0.288 1211 I C -1.178 174.980 176.117 0.069 0.000 1.048 1211 I CA -0.894 60.442 61.300 0.060 0.000 1.062 1211 I CB 2.647 40.664 38.000 0.029 0.000 1.238 1211 I HN -0.238 nan 8.210 nan 0.000 0.426 1212 L N 8.359 129.624 121.223 0.070 0.000 2.376 1212 L HA 0.631 4.968 4.340 -0.005 0.000 0.275 1212 L C -1.232 175.676 176.870 0.064 0.000 0.987 1212 L CA -0.434 54.451 54.840 0.076 0.000 0.828 1212 L CB 1.817 43.929 42.059 0.089 0.000 1.249 1212 L HN 0.300 nan 8.230 nan 0.000 0.409 1213 V N 5.901 125.850 119.914 0.058 0.000 2.378 1213 V HA 0.535 4.652 4.120 -0.005 0.000 0.288 1213 V C -0.423 175.703 176.094 0.054 0.000 1.016 1213 V CA -0.679 61.651 62.300 0.050 0.000 0.840 1213 V CB 1.702 33.549 31.823 0.040 0.000 0.994 1213 V HN 0.499 nan 8.190 nan 0.000 0.431 1214 V N 3.844 123.787 119.914 0.049 0.000 2.398 1214 V HA 0.821 4.938 4.120 -0.005 0.000 0.286 1214 V C 0.389 176.502 176.094 0.031 0.000 1.026 1214 V CA -0.299 62.029 62.300 0.047 0.000 0.868 1214 V CB 1.574 33.422 31.823 0.043 0.000 0.982 1214 V HN 0.980 nan 8.190 nan 0.000 0.443 1215 A N 2.833 125.672 122.820 0.033 0.000 3.127 1215 A HA 0.579 4.896 4.320 -0.005 0.000 0.319 1215 A C 0.546 178.145 177.584 0.025 0.000 1.104 1215 A CA 0.311 52.360 52.037 0.021 0.000 0.802 1215 A CB 0.823 19.836 19.000 0.022 0.000 1.193 1215 A HN 0.897 nan 8.150 nan 0.000 0.479 1216 T N -3.338 111.227 114.554 0.019 0.000 2.964 1216 T HA 0.435 4.782 4.350 -0.005 0.000 0.249 1216 T C 1.526 176.232 174.700 0.010 0.000 1.000 1216 T CA 1.006 63.120 62.100 0.024 0.000 0.992 1216 T CB 0.175 69.064 68.868 0.036 0.000 1.087 1216 T HN 2.085 nan 8.240 nan 0.000 0.489 1217 G N 1.653 110.448 108.800 -0.008 0.000 2.179 1217 G HA2 -0.203 3.754 3.960 -0.005 0.000 0.260 1217 G HA3 -0.203 3.754 3.960 -0.005 0.000 0.260 1217 G C -0.071 174.818 174.900 -0.017 0.000 0.977 1217 G CA 0.027 45.115 45.100 -0.019 0.000 0.641 1217 G HN 0.627 nan 8.290 nan 0.000 0.533 1218 Q N 1.188 120.981 119.800 -0.010 0.000 2.421 1218 Q HA 0.335 4.672 4.340 -0.005 0.000 0.242 1218 Q C -2.321 173.661 176.000 -0.030 0.000 1.024 1218 Q CA -2.104 53.693 55.803 -0.010 0.000 0.891 1218 Q CB 1.539 30.282 28.738 0.008 0.000 1.222 1218 Q HN 0.402 nan 8.270 nan 0.000 0.483 1219 P HA -0.140 nan 4.420 nan 0.000 0.256 1219 P C -0.381 176.885 177.300 -0.056 0.000 1.173 1219 P CA 0.600 63.671 63.100 -0.048 0.000 0.768 1219 P CB 0.380 32.056 31.700 -0.040 0.000 0.758 1220 E N 0.738 120.897 120.200 -0.068 0.000 2.604 1220 E HA -0.287 4.060 4.350 -0.005 0.000 0.255 1220 E C 1.019 177.526 176.600 -0.154 0.000 1.164 1220 E CA 0.464 56.808 56.400 -0.094 0.000 0.737 1220 E CB -1.294 28.363 29.700 -0.071 0.000 1.317 1220 E HN 0.569 nan 8.360 nan 0.000 0.417 1221 M N 0.079 119.589 119.600 -0.151 0.000 2.086 1221 M HA -0.105 4.372 4.480 -0.005 0.000 0.261 1221 M C 0.719 176.701 176.300 -0.529 0.000 1.067 1221 M CA 1.500 56.674 55.300 -0.210 0.000 1.116 1221 M CB 0.357 32.907 32.600 -0.083 0.000 1.348 1221 M HN 0.005 nan 8.290 nan 0.000 0.407 1222 V N 4.332 123.939 119.914 -0.512 0.000 2.390 1222 V HA 0.014 4.131 4.120 -0.005 0.000 0.260 1222 V C 0.185 175.806 176.094 -0.789 0.000 1.043 1222 V CA -0.032 61.768 62.300 -0.834 0.000 1.047 1222 V CB -0.588 31.073 31.823 -0.270 0.000 1.066 1222 V HN 0.247 nan 8.190 nan 0.000 0.481 1223 K N 3.789 123.418 120.400 -1.286 0.000 2.168 1223 K HA 0.263 4.580 4.320 -0.005 0.000 0.258 1223 K C 1.535 177.880 176.600 -0.426 0.000 1.010 1223 K CA 0.259 56.120 56.287 -0.711 0.000 0.929 1223 K CB 0.772 32.901 32.500 -0.617 0.000 0.998 1223 K HN 0.599 nan 8.250 nan 0.000 0.479 1224 G N 0.769 109.448 108.800 -0.202 0.000 2.448 1224 G HA2 -0.263 3.694 3.960 -0.005 0.000 0.219 1224 G HA3 -0.263 3.694 3.960 -0.005 0.000 0.219 1224 G C 1.333 176.232 174.900 -0.002 0.000 1.127 1224 G CA 0.624 45.669 45.100 -0.091 0.000 0.766 1224 G HN 0.644 nan 8.290 nan 0.000 0.552 1225 E N 0.053 120.274 120.200 0.036 0.000 2.204 1225 E HA -0.108 4.239 4.350 -0.005 0.000 0.195 1225 E C 1.983 178.749 176.600 0.277 0.000 0.990 1225 E CA 0.921 57.407 56.400 0.143 0.000 0.821 1225 E CB -0.273 29.534 29.700 0.177 0.000 0.750 1225 E HN 0.575 nan 8.360 nan 0.000 0.477 1226 W N 0.817 122.113 121.300 -0.007 0.000 2.418 1226 W HA 0.067 4.724 4.660 -0.005 0.000 0.292 1226 W C 0.408 176.923 176.519 -0.006 0.000 1.213 1226 W CA -0.172 57.170 57.345 -0.005 0.000 1.283 1226 W CB -0.769 28.692 29.460 0.002 0.000 1.119 1226 W HN -0.049 nan 8.180 nan 0.000 0.542 1227 I N 2.469 123.173 120.570 0.222 0.000 2.821 1227 I HA -0.151 4.016 4.170 -0.005 0.000 0.294 1227 I C 0.854 177.020 176.117 0.082 0.000 1.210 1227 I CA -0.362 61.010 61.300 0.120 0.000 1.430 1227 I CB -0.905 37.128 38.000 0.055 0.000 1.356 1227 I HN -0.054 nan 8.210 nan 0.000 0.563 1228 K N 8.451 128.891 120.400 0.067 0.000 2.368 1228 K HA 0.239 4.556 4.320 -0.005 0.000 0.282 1228 K C -2.361 174.256 176.600 0.029 0.000 1.035 1228 K CA -1.344 54.967 56.287 0.040 0.000 0.973 1228 K CB 0.576 33.096 32.500 0.033 0.000 0.957 1228 K HN 0.236 nan 8.250 nan 0.000 0.474 1229 P HA -0.029 nan 4.420 nan 0.000 0.258 1229 P C 0.104 177.408 177.300 0.007 0.000 1.187 1229 P CA 1.033 64.135 63.100 0.004 0.000 0.767 1229 P CB 0.544 32.243 31.700 -0.002 0.000 0.770 1230 G N 2.345 111.146 108.800 0.002 0.000 2.175 1230 G HA2 -0.152 3.805 3.960 -0.005 0.000 0.244 1230 G HA3 -0.152 3.805 3.960 -0.005 0.000 0.244 1230 G C 0.468 175.397 174.900 0.049 0.000 0.982 1230 G CA -0.094 45.013 45.100 0.011 0.000 0.641 1230 G HN 0.817 nan 8.290 nan 0.000 0.527 1231 A N -0.111 122.741 122.820 0.054 0.000 2.366 1231 A HA 0.677 4.994 4.320 -0.005 0.000 0.249 1231 A C 0.576 178.229 177.584 0.115 0.000 1.084 1231 A CA 0.104 52.190 52.037 0.081 0.000 0.794 1231 A CB 0.305 19.347 19.000 0.071 0.000 1.034 1231 A HN 0.777 nan 8.150 nan 0.000 0.491 1232 I N 1.831 122.479 120.570 0.130 0.000 2.297 1232 I HA 0.198 4.366 4.170 -0.005 0.000 0.291 1232 I C -0.702 175.480 176.117 0.108 0.000 1.033 1232 I CA -0.281 61.112 61.300 0.155 0.000 1.253 1232 I CB 1.118 39.184 38.000 0.110 0.000 1.396 1232 I HN 0.221 nan 8.210 nan 0.000 0.476 1233 V N 7.727 127.707 119.914 0.110 0.000 2.370 1233 V HA 0.369 4.486 4.120 -0.005 0.000 0.279 1233 V C 0.147 176.293 176.094 0.087 0.000 1.029 1233 V CA -0.486 61.866 62.300 0.086 0.000 0.870 1233 V CB 1.614 33.479 31.823 0.069 0.000 0.984 1233 V HN 0.403 nan 8.190 nan 0.000 0.451 1234 I N 3.990 124.601 120.570 0.069 0.000 2.382 1234 I HA 0.421 4.588 4.170 -0.005 0.000 0.285 1234 I C -0.476 175.671 176.117 0.049 0.000 1.007 1234 I CA -0.435 60.899 61.300 0.057 0.000 1.142 1234 I CB 1.563 39.587 38.000 0.040 0.000 1.289 1234 I HN 0.552 nan 8.210 nan 0.000 0.453 1235 D N 5.307 125.735 120.400 0.047 0.000 2.414 1235 D HA 0.275 4.912 4.640 -0.005 0.000 0.232 1235 D C 0.464 176.768 176.300 0.008 0.000 1.070 1235 D CA -0.284 53.734 54.000 0.030 0.000 0.839 1235 D CB 1.411 42.236 40.800 0.040 0.000 1.079 1235 D HN 0.494 nan 8.370 nan 0.000 0.521 1236 C N 2.822 122.122 119.300 0.001 0.000 2.618 1236 C HA 0.341 4.798 4.460 -0.005 0.000 0.264 1236 C C 1.457 176.428 174.990 -0.033 0.000 1.334 1236 C CA -0.251 58.760 59.018 -0.012 0.000 1.731 1236 C CB -0.799 26.938 27.740 -0.005 0.000 1.852 1236 C HN 0.659 nan 8.230 nan 0.000 0.566 1237 G N 0.769 109.546 108.800 -0.038 0.000 2.398 1237 G HA2 0.451 4.408 3.960 -0.005 0.000 0.246 1237 G HA3 0.451 4.408 3.960 -0.005 0.000 0.246 1237 G C -0.478 174.357 174.900 -0.109 0.000 1.289 1237 G CA 0.072 45.132 45.100 -0.066 0.000 0.869 1237 G HN 0.483 nan 8.290 nan 0.000 0.543 1238 I N 2.866 123.341 120.570 -0.158 0.000 2.563 1238 I HA 0.185 4.352 4.170 -0.005 0.000 0.276 1238 I C -0.898 174.962 176.117 -0.428 0.000 1.074 1238 I CA -0.719 60.413 61.300 -0.280 0.000 1.124 1238 I CB 1.075 38.932 38.000 -0.239 0.000 1.225 1238 I HN 0.328 nan 8.210 nan 0.000 0.482 1239 N N 5.738 124.192 118.700 -0.410 0.000 2.407 1239 N HA 0.393 5.130 4.740 -0.005 0.000 0.277 1239 N C -1.168 174.123 175.510 -0.365 0.000 0.995 1239 N CA -0.495 52.349 53.050 -0.343 0.000 0.903 1239 N CB 1.944 40.339 38.487 -0.154 0.000 1.218 1239 N HN 0.327 nan 8.380 nan 0.000 0.487 1240 Y N 0.468 120.768 120.300 0.000 0.000 2.304 1240 Y HA 0.423 4.970 4.550 -0.005 0.000 0.328 1240 Y C 0.514 176.412 175.900 -0.002 0.000 1.123 1240 Y CA -0.694 57.405 58.100 -0.001 0.000 1.218 1240 Y CB 1.177 39.639 38.460 0.004 0.000 1.207 1240 Y HN 0.090 nan 8.280 nan 0.000 0.495 1241 V N 4.530 124.537 119.914 0.155 0.000 2.686 1241 V HA 0.328 4.445 4.120 -0.005 0.000 0.306 1241 V C -2.566 173.568 176.094 0.067 0.000 1.065 1241 V CA -2.630 59.719 62.300 0.082 0.000 0.894 1241 V CB 2.014 33.863 31.823 0.043 0.000 1.004 1241 V HN 0.563 nan 8.190 nan 0.000 0.424 1242 P HA 0.227 nan 4.420 nan 0.000 0.263 1242 P C -0.958 176.356 177.300 0.023 0.000 1.195 1242 P CA 0.384 63.501 63.100 0.029 0.000 0.762 1242 P CB 0.326 32.038 31.700 0.020 0.000 0.799 1243 D N 2.316 122.727 120.400 0.019 0.000 2.365 1243 D HA 0.054 4.691 4.640 -0.005 0.000 0.235 1243 D C 0.168 176.473 176.300 0.009 0.000 1.368 1243 D CA -0.393 53.616 54.000 0.014 0.000 1.001 1243 D CB 0.463 41.273 40.800 0.018 0.000 1.364 1243 D HN 0.230 nan 8.370 nan 0.000 0.577 1244 D N 2.075 122.478 120.400 0.006 0.000 2.350 1244 D HA -0.139 4.498 4.640 -0.005 0.000 0.216 1244 D C 0.984 177.286 176.300 0.002 0.000 0.968 1244 D CA 0.913 54.915 54.000 0.002 0.000 0.894 1244 D CB 0.148 40.949 40.800 0.001 0.000 0.909 1244 D HN 0.300 nan 8.370 nan 0.000 0.520 1245 K N -0.339 120.063 120.400 0.004 0.000 2.486 1245 K HA 0.047 4.364 4.320 -0.005 0.000 0.194 1245 K C 0.325 176.927 176.600 0.003 0.000 1.033 1245 K CA 0.251 56.540 56.287 0.003 0.000 1.004 1245 K CB 0.250 32.752 32.500 0.005 0.000 0.798 1245 K HN 0.036 nan 8.250 nan 0.000 0.495 1246 K N 0.672 121.074 120.400 0.004 0.000 2.130 1246 K HA 0.152 4.469 4.320 -0.005 0.000 0.268 1246 K C -1.994 174.605 176.600 -0.001 0.000 0.983 1246 K CA -2.146 54.143 56.287 0.003 0.000 0.893 1246 K CB 1.133 33.638 32.500 0.008 0.000 1.066 1246 K HN -0.289 nan 8.250 nan 0.000 0.450 1247 P HA -0.200 nan 4.420 nan 0.000 0.216 1247 P C 0.521 177.815 177.300 -0.010 0.000 1.157 1247 P CA 1.529 64.626 63.100 -0.005 0.000 0.880 1247 P CB 0.214 31.911 31.700 -0.005 0.000 0.791 1248 N N -1.661 117.032 118.700 -0.013 0.000 2.295 1248 N HA 0.111 4.849 4.740 -0.005 0.000 0.221 1248 N C 0.939 176.435 175.510 -0.024 0.000 1.129 1248 N CA 0.491 53.528 53.050 -0.023 0.000 0.836 1248 N CB -0.826 37.641 38.487 -0.034 0.000 1.040 1248 N HN 0.158 nan 8.380 nan 0.000 0.494 1249 G N 1.093 109.886 108.800 -0.013 0.000 2.179 1249 G HA2 -0.346 3.611 3.960 -0.005 0.000 0.257 1249 G HA3 -0.346 3.611 3.960 -0.005 0.000 0.257 1249 G C -0.157 174.741 174.900 -0.003 0.000 1.010 1249 G CA 0.646 45.741 45.100 -0.009 0.000 0.736 1249 G HN 0.910 nan 8.290 nan 0.000 0.513 1250 R N -1.351 119.151 120.500 0.004 0.000 2.629 1250 R HA 0.661 4.999 4.340 -0.005 0.000 0.266 1250 R C -0.536 175.797 176.300 0.055 0.000 1.051 1250 R CA -0.769 55.347 56.100 0.028 0.000 0.895 1250 R CB 1.139 31.445 30.300 0.010 0.000 1.246 1250 R HN 0.374 nan 8.270 nan 0.000 0.459 1251 K N 1.140 121.587 120.400 0.078 0.000 2.238 1251 K HA 0.646 4.963 4.320 -0.005 0.000 0.239 1251 K C -1.105 175.566 176.600 0.119 0.000 0.987 1251 K CA -1.027 55.304 56.287 0.074 0.000 0.857 1251 K CB 2.349 34.869 32.500 0.034 0.000 1.154 1251 K HN 0.268 nan 8.250 nan 0.000 0.439 1252 V N 1.892 121.850 119.914 0.072 0.000 2.409 1252 V HA 0.389 4.506 4.120 -0.005 0.000 0.291 1252 V C -0.310 175.748 176.094 -0.059 0.000 1.020 1252 V CA -0.846 61.459 62.300 0.008 0.000 0.848 1252 V CB 1.060 32.895 31.823 0.020 0.000 0.990 1252 V HN 0.692 nan 8.190 nan 0.000 0.430 1253 V N 1.936 121.796 119.914 -0.089 0.000 2.815 1253 V HA 1.035 5.152 4.120 -0.005 0.000 0.314 1253 V C 0.544 176.579 176.094 -0.098 0.000 1.064 1253 V CA -0.079 62.173 62.300 -0.080 0.000 0.952 1253 V CB 1.480 33.273 31.823 -0.050 0.000 1.020 1253 V HN 0.830 nan 8.190 nan 0.000 0.439 1254 G N 0.893 109.648 108.800 -0.074 0.000 2.582 1254 G HA2 0.344 4.301 3.960 -0.005 0.000 0.232 1254 G HA3 0.344 4.301 3.960 -0.005 0.000 0.232 1254 G C -0.046 174.821 174.900 -0.055 0.000 1.458 1254 G CA 0.134 45.195 45.100 -0.064 0.000 1.062 1254 G HN 0.763 nan 8.290 nan 0.000 0.566 1255 D N -1.141 119.234 120.400 -0.041 0.000 2.369 1255 D HA 0.185 4.822 4.640 -0.005 0.000 0.211 1255 D C 0.366 176.630 176.300 -0.060 0.000 1.077 1255 D CA 0.218 54.191 54.000 -0.044 0.000 0.842 1255 D CB 1.047 41.832 40.800 -0.025 0.000 0.947 1255 D HN -0.003 nan 8.370 nan 0.000 0.509 1256 V N 0.897 120.786 119.914 -0.041 0.000 2.715 1256 V HA 0.560 4.677 4.120 -0.005 0.000 0.310 1256 V C 0.074 176.145 176.094 -0.039 0.000 1.054 1256 V CA -1.311 60.954 62.300 -0.058 0.000 0.928 1256 V CB 1.961 33.781 31.823 -0.005 0.000 1.007 1256 V HN 0.031 nan 8.190 nan 0.000 0.437 1257 A N 2.995 125.758 122.820 -0.095 0.000 2.906 1257 A HA 0.218 4.535 4.320 -0.005 0.000 0.289 1257 A C 0.816 178.396 177.584 -0.006 0.000 1.675 1257 A CA -0.083 51.918 52.037 -0.061 0.000 1.372 1257 A CB -0.899 18.026 19.000 -0.126 0.000 1.091 1257 A HN 0.947 nan 8.150 nan 0.000 0.579 1258 Y N 2.066 122.328 120.300 -0.063 0.000 2.030 1258 Y HA -0.369 4.179 4.550 -0.004 0.000 0.272 1258 Y C 1.798 177.677 175.900 -0.036 0.000 1.185 1258 Y CA 2.838 60.913 58.100 -0.042 0.000 1.120 1258 Y CB 0.026 38.468 38.460 -0.031 0.000 0.955 1258 Y HN 0.699 nan 8.280 nan 0.000 0.495 1259 D N -0.258 120.165 120.400 0.038 0.000 2.172 1259 D HA -0.192 4.445 4.640 -0.005 0.000 0.196 1259 D C 1.856 178.082 176.300 -0.123 0.000 0.999 1259 D CA 2.013 55.983 54.000 -0.050 0.000 0.856 1259 D CB -0.178 40.643 40.800 0.036 0.000 0.934 1259 D HN 0.550 nan 8.370 nan 0.000 0.453 1260 E N 0.096 120.234 120.200 -0.102 0.000 2.276 1260 E HA 0.153 4.500 4.350 -0.005 0.000 0.193 1260 E C 1.904 178.433 176.600 -0.119 0.000 0.983 1260 E CA 0.552 56.894 56.400 -0.096 0.000 0.861 1260 E CB -0.095 29.562 29.700 -0.072 0.000 0.817 1260 E HN 0.190 nan 8.360 nan 0.000 0.485 1261 A N 1.847 124.577 122.820 -0.149 0.000 1.968 1261 A HA -0.182 4.135 4.320 -0.005 0.000 0.217 1261 A C 1.967 179.437 177.584 -0.191 0.000 1.169 1261 A CA 1.501 53.455 52.037 -0.139 0.000 0.638 1261 A CB -0.435 18.497 19.000 -0.112 0.000 0.812 1261 A HN 0.255 nan 8.150 nan 0.000 0.446 1262 K N -0.520 119.676 120.400 -0.339 0.000 2.283 1262 K HA -0.087 4.230 4.320 -0.005 0.000 0.202 1262 K C 0.911 177.386 176.600 -0.208 0.000 1.048 1262 K CA 1.368 57.439 56.287 -0.360 0.000 0.948 1262 K CB -0.070 32.064 32.500 -0.609 0.000 0.742 1262 K HN 0.272 nan 8.250 nan 0.000 0.458 1263 E N 0.824 120.927 120.200 -0.162 0.000 2.371 1263 E HA -0.015 4.332 4.350 -0.005 0.000 0.194 1263 E C 1.827 178.376 176.600 -0.084 0.000 1.012 1263 E CA 0.527 56.862 56.400 -0.108 0.000 0.860 1263 E CB 0.193 29.843 29.700 -0.083 0.000 0.811 1263 E HN 0.371 nan 8.360 nan 0.000 0.502 1264 R N 0.390 120.842 120.500 -0.079 0.000 2.103 1264 R HA 0.256 4.593 4.340 -0.005 0.000 0.212 1264 R C 1.136 177.408 176.300 -0.048 0.000 1.107 1264 R CA 0.449 56.520 56.100 -0.049 0.000 1.025 1264 R CB -0.315 29.970 30.300 -0.026 0.000 0.929 1264 R HN -0.019 nan 8.270 nan 0.000 0.456 1265 A N 1.177 123.964 122.820 -0.055 0.000 2.406 1265 A HA 0.139 4.456 4.320 -0.005 0.000 0.243 1265 A C 1.231 178.764 177.584 -0.084 0.000 1.082 1265 A CA 0.358 52.374 52.037 -0.036 0.000 0.786 1265 A CB 0.413 19.406 19.000 -0.012 0.000 1.029 1265 A HN 0.384 nan 8.150 nan 0.000 0.495 1266 S N -0.368 115.285 115.700 -0.078 0.000 2.470 1266 S HA 0.351 4.819 4.470 -0.005 0.000 0.222 1266 S C -0.024 174.234 174.600 -0.571 0.000 1.024 1266 S CA 0.172 58.206 58.200 -0.277 0.000 0.931 1266 S CB -0.163 62.937 63.200 -0.167 0.000 0.791 1266 S HN 0.506 nan 8.310 nan 0.000 0.513 1267 F N 0.443 120.393 119.950 0.001 0.000 2.588 1267 F HA 0.673 5.197 4.527 -0.004 0.000 0.314 1267 F C -0.688 175.122 175.800 0.017 0.000 1.134 1267 F CA -0.998 57.009 58.000 0.011 0.000 0.961 1267 F CB 2.003 41.013 39.000 0.017 0.000 1.239 1267 F HN 0.050 nan 8.300 nan 0.000 0.448 1268 I N 1.920 122.616 120.570 0.209 0.000 2.752 1268 I HA 0.475 4.642 4.170 -0.005 0.000 0.295 1268 I C -0.931 175.310 176.117 0.207 0.000 1.219 1268 I CA -0.512 60.887 61.300 0.166 0.000 1.030 1268 I CB 2.470 40.518 38.000 0.080 0.000 1.259 1268 I HN 0.664 nan 8.210 nan 0.000 0.423 1269 T N 4.940 119.603 114.554 0.182 0.000 2.743 1269 T HA 0.554 4.901 4.350 -0.005 0.000 0.293 1269 T C -2.487 172.302 174.700 0.148 0.000 0.945 1269 T CA -1.546 60.639 62.100 0.140 0.000 1.030 1269 T CB 0.928 69.844 68.868 0.080 0.000 0.912 1269 T HN 0.323 nan 8.240 nan 0.000 0.483 1270 P HA 0.423 nan 4.420 nan 0.000 0.274 1270 P C -0.993 176.187 177.300 -0.200 0.000 1.246 1270 P CA -0.631 62.330 63.100 -0.232 0.000 0.795 1270 P CB 0.970 32.524 31.700 -0.243 0.000 1.006 1271 V N 2.161 121.888 119.914 -0.313 0.000 2.524 1271 V HA 0.291 4.408 4.120 -0.005 0.000 0.297 1271 V C -1.898 174.087 176.094 -0.181 0.000 1.035 1271 V CA -1.468 60.724 62.300 -0.181 0.000 0.867 1271 V CB 1.556 33.299 31.823 -0.133 0.000 1.004 1271 V HN 0.632 nan 8.190 nan 0.000 0.426 1272 P HA 0.461 nan 4.420 nan 0.000 0.277 1272 P C 0.649 177.906 177.300 -0.072 0.000 1.271 1272 P CA 0.495 63.553 63.100 -0.069 0.000 0.795 1272 P CB 1.279 32.966 31.700 -0.022 0.000 1.101 1273 G N -1.835 106.941 108.800 -0.040 0.000 2.144 1273 G HA2 -0.103 3.854 3.960 -0.005 0.000 0.218 1273 G HA3 -0.103 3.854 3.960 -0.005 0.000 0.218 1273 G C 0.513 175.402 174.900 -0.018 0.000 0.988 1273 G CA 0.184 45.268 45.100 -0.027 0.000 0.659 1273 G HN 0.881 nan 8.290 nan 0.000 0.522 1274 G N -0.510 108.277 108.800 -0.021 0.000 2.754 1274 G HA2 0.422 4.379 3.960 -0.005 0.000 0.210 1274 G HA3 0.422 4.379 3.960 -0.005 0.000 0.210 1274 G C 1.408 176.309 174.900 0.001 0.000 2.092 1274 G CA 0.965 46.064 45.100 -0.002 0.000 0.766 1274 G HN 0.698 nan 8.290 nan 0.000 0.745 1275 V N 1.907 121.820 119.914 -0.002 0.000 2.453 1275 V HA 0.012 4.129 4.120 -0.005 0.000 0.247 1275 V C 3.120 179.207 176.094 -0.011 0.000 1.048 1275 V CA 2.021 64.319 62.300 -0.004 0.000 1.049 1275 V CB -0.908 30.912 31.823 -0.005 0.000 0.672 1275 V HN 0.543 nan 8.190 nan 0.000 0.457 1276 G N 1.097 109.887 108.800 -0.016 0.000 2.491 1276 G HA2 -0.229 3.728 3.960 -0.005 0.000 0.218 1276 G HA3 -0.229 3.728 3.960 -0.005 0.000 0.218 1276 G C -0.179 174.715 174.900 -0.010 0.000 1.180 1276 G CA 1.213 46.303 45.100 -0.016 0.000 0.774 1276 G HN 0.524 nan 8.290 nan 0.000 0.562 1277 P HA 0.015 nan 4.420 nan 0.000 0.226 1277 P C 1.987 179.287 177.300 0.000 0.000 1.153 1277 P CA 0.681 63.782 63.100 0.002 0.000 0.777 1277 P CB 0.079 31.782 31.700 0.005 0.000 0.794 1278 M N -1.777 117.821 119.600 -0.002 0.000 2.349 1278 M HA -0.045 4.432 4.480 -0.005 0.000 0.266 1278 M C 1.813 178.110 176.300 -0.005 0.000 1.076 1278 M CA 1.415 56.714 55.300 -0.001 0.000 1.126 1278 M CB -1.897 30.703 32.600 -0.000 0.000 1.392 1278 M HN -0.059 nan 8.290 nan 0.000 0.440 1279 T N 1.539 116.085 114.554 -0.014 0.000 2.565 1279 T HA -0.163 4.184 4.350 -0.005 0.000 0.265 1279 T C 1.995 176.682 174.700 -0.021 0.000 1.082 1279 T CA 2.080 64.166 62.100 -0.024 0.000 1.173 1279 T CB -0.421 68.420 68.868 -0.045 0.000 0.864 1279 T HN 0.183 nan 8.240 nan 0.000 0.425 1280 V N 1.491 121.394 119.914 -0.018 0.000 2.490 1280 V HA -0.130 3.987 4.120 -0.005 0.000 0.250 1280 V C 2.779 178.872 176.094 -0.003 0.000 1.061 1280 V CA 1.535 63.828 62.300 -0.012 0.000 1.064 1280 V CB -1.219 30.601 31.823 -0.005 0.000 0.670 1280 V HN 0.562 nan 8.190 nan 0.000 0.461 1281 A N -0.257 122.564 122.820 0.002 0.000 1.930 1281 A HA -0.181 4.136 4.320 -0.005 0.000 0.217 1281 A C 2.222 179.814 177.584 0.013 0.000 1.175 1281 A CA 1.790 53.833 52.037 0.009 0.000 0.627 1281 A CB -0.412 18.594 19.000 0.009 0.000 0.815 1281 A HN 0.398 nan 8.150 nan 0.000 0.443 1282 M N -0.920 118.687 119.600 0.010 0.000 2.159 1282 M HA -0.101 4.377 4.480 -0.005 0.000 0.263 1282 M C 2.151 178.465 176.300 0.023 0.000 1.063 1282 M CA 1.225 56.536 55.300 0.019 0.000 1.110 1282 M CB -1.410 31.199 32.600 0.014 0.000 1.374 1282 M HN 0.485 nan 8.290 nan 0.000 0.411 1283 L N 0.630 121.856 121.223 0.006 0.000 2.056 1283 L HA -0.120 4.217 4.340 -0.005 0.000 0.207 1283 L C 2.189 179.066 176.870 0.011 0.000 1.078 1283 L CA 1.692 56.530 54.840 -0.003 0.000 0.749 1283 L CB -0.561 41.485 42.059 -0.022 0.000 0.901 1283 L HN 0.146 nan 8.230 nan 0.000 0.433 1284 M N -0.855 118.754 119.600 0.015 0.000 2.229 1284 M HA -0.195 4.282 4.480 -0.005 0.000 0.264 1284 M C 2.305 178.630 176.300 0.041 0.000 1.063 1284 M CA 1.569 56.883 55.300 0.024 0.000 1.114 1284 M CB -1.256 31.355 32.600 0.019 0.000 1.387 1284 M HN 0.511 nan 8.290 nan 0.000 0.420 1285 Q N -0.110 119.717 119.800 0.044 0.000 2.079 1285 Q HA -0.100 4.237 4.340 -0.005 0.000 0.200 1285 Q C 2.043 178.098 176.000 0.092 0.000 0.974 1285 Q CA 1.817 57.655 55.803 0.057 0.000 0.840 1285 Q CB 0.215 28.980 28.738 0.047 0.000 0.898 1285 Q HN 0.424 nan 8.270 nan 0.000 0.430 1286 S N -0.163 115.604 115.700 0.112 0.000 2.382 1286 S HA -0.126 4.341 4.470 -0.005 0.000 0.228 1286 S C 1.908 176.646 174.600 0.231 0.000 1.027 1286 S CA 1.537 59.865 58.200 0.214 0.000 0.991 1286 S CB -0.366 62.948 63.200 0.189 0.000 0.823 1286 S HN 0.482 nan 8.310 nan 0.000 0.469 1287 T N 2.121 116.743 114.554 0.113 0.000 2.746 1287 T HA -0.051 4.296 4.350 -0.005 0.000 0.267 1287 T C 1.946 176.721 174.700 0.125 0.000 1.039 1287 T CA 1.256 63.415 62.100 0.098 0.000 1.142 1287 T CB -0.396 68.501 68.868 0.050 0.000 0.866 1287 T HN 0.217 nan 8.240 nan 0.000 0.444 1288 V N 1.521 121.497 119.914 0.104 0.000 2.427 1288 V HA -0.139 3.978 4.120 -0.005 0.000 0.248 1288 V C 2.439 178.604 176.094 0.119 0.000 1.051 1288 V CA 1.520 63.878 62.300 0.096 0.000 1.048 1288 V CB -0.649 31.218 31.823 0.074 0.000 0.666 1288 V HN 0.534 nan 8.190 nan 0.000 0.456 1289 E N 0.108 120.387 120.200 0.131 0.000 2.085 1289 E HA -0.224 4.123 4.350 -0.005 0.000 0.194 1289 E C 2.431 179.122 176.600 0.151 0.000 0.994 1289 E CA 1.605 58.072 56.400 0.112 0.000 0.801 1289 E CB -0.283 29.476 29.700 0.098 0.000 0.743 1289 E HN 0.505 nan 8.360 nan 0.000 0.453 1290 S N 0.162 116.030 115.700 0.280 0.000 2.356 1290 S HA -0.174 4.293 4.470 -0.005 0.000 0.223 1290 S C 2.095 176.868 174.600 0.287 0.000 1.032 1290 S CA 1.170 59.587 58.200 0.362 0.000 1.005 1290 S CB -0.195 63.289 63.200 0.474 0.000 0.867 1290 S HN 0.350 nan 8.310 nan 0.000 0.449 1291 A N 1.262 124.201 122.820 0.197 0.000 1.908 1291 A HA -0.114 4.203 4.320 -0.005 0.000 0.218 1291 A C 2.133 179.873 177.584 0.261 0.000 1.181 1291 A CA 1.686 53.784 52.037 0.102 0.000 0.627 1291 A CB -0.557 18.420 19.000 -0.039 0.000 0.818 1291 A HN 0.609 nan 8.150 nan 0.000 0.445 1292 K N -0.862 119.634 120.400 0.161 0.000 2.097 1292 K HA -0.071 4.246 4.320 -0.005 0.000 0.205 1292 K C 2.299 178.922 176.600 0.038 0.000 1.050 1292 K CA 1.176 57.499 56.287 0.060 0.000 0.938 1292 K CB -0.150 32.373 32.500 0.039 0.000 0.718 1292 K HN 0.366 nan 8.250 nan 0.000 0.442 1293 R N -0.242 120.315 120.500 0.095 0.000 2.090 1293 R HA -0.086 4.252 4.340 -0.005 0.000 0.228 1293 R C 2.191 178.570 176.300 0.132 0.000 1.110 1293 R CA 1.076 57.224 56.100 0.079 0.000 0.973 1293 R CB -0.205 30.140 30.300 0.074 0.000 0.869 1293 R HN 0.177 nan 8.270 nan 0.000 0.440 1294 F N 1.328 121.336 119.950 0.098 0.000 2.113 1294 F HA -0.157 4.368 4.527 -0.004 0.000 0.297 1294 F C 1.960 177.797 175.800 0.062 0.000 1.103 1294 F CA 0.999 59.089 58.000 0.150 0.000 1.248 1294 F CB -0.442 38.767 39.000 0.347 0.000 0.999 1294 F HN -0.094 nan 8.300 nan 0.000 0.475 1295 L N 1.101 122.240 121.223 -0.141 0.000 2.079 1295 L HA -0.113 4.224 4.340 -0.005 0.000 0.210 1295 L C 1.315 177.968 176.870 -0.362 0.000 1.081 1295 L CA 1.566 56.128 54.840 -0.463 0.000 0.752 1295 L CB -0.943 40.723 42.059 -0.654 0.000 0.896 1295 L HN 0.324 nan 8.230 nan 0.000 0.433 1296 E N 0.000 120.069 120.200 -0.218 0.000 2.725 1296 E HA 0.000 4.347 4.350 -0.005 0.000 0.291 1296 E CA 0.000 56.302 56.400 -0.163 0.000 0.976 1296 E CB 0.000 29.640 29.700 -0.100 0.000 0.812 1296 E HN 0.000 nan 8.360 nan 0.000 0.440