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 1lcu_1_B DATA FIRST_RESID 1015 DATA SEQUENCE TTALVCDNGS GLVKAGFAGD DAPRAVFPSI VGRPRHQGVM VVMGQGDSYV DATA SEQUENCE GDEAQSKRGI LTLKYPIEHG IITNWDDMEK IWHHTFYNEL RVAPEEHPTL DATA SEQUENCE LTEAPLNPKA NREKMTQIMF ETFNVPAMYV AIQAVLSLYA SGRTTGIVLD DATA SEQUENCE SGDGVTHNVP IYEGYALPHA IMRLDLAGRD LTDYLMKILT ERGYSFVTTA DATA SEQUENCE EREIVRDIKE KLCYVALDFE NEMATAASSS SLEKSYELPD GQVITIGNER DATA SEQUENCE FRCPETLFQP SFIGMESAGI HETTYNSIMK CDIDIRKDLY ANNVMSGGTT DATA SEQUENCE MYPGIADRMQ KEITALAPST MKIKIIAPPE RKYSVWIGGS ILASLSTFQQ DATA SEQUENCE MWITKQEYDE AGPSIVHRKC F 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 1015 T HA 0.000 nan 4.350 nan 0.000 0.228 1015 T C 0.000 174.737 174.700 0.062 0.000 1.109 1015 T CA 0.000 62.087 62.100 -0.022 0.000 1.349 1015 T CB 0.000 68.859 68.868 -0.015 0.000 0.612 1016 T N 2.668 117.350 114.554 0.214 0.000 2.797 1016 T HA 0.835 5.185 4.350 -0.000 0.000 0.279 1016 T C 0.119 174.926 174.700 0.180 0.000 0.991 1016 T CA -0.063 62.127 62.100 0.150 0.000 0.979 1016 T CB 1.594 70.477 68.868 0.024 0.000 0.943 1016 T HN 0.728 nan 8.240 nan 0.000 0.444 1017 A N 3.507 126.410 122.820 0.137 0.000 2.371 1017 A HA 0.653 4.973 4.320 -0.000 0.000 0.257 1017 A C -0.123 177.578 177.584 0.195 0.000 1.089 1017 A CA -0.519 51.598 52.037 0.134 0.000 0.794 1017 A CB 0.081 19.255 19.000 0.290 0.000 1.029 1017 A HN 0.856 nan 8.150 nan 0.000 0.488 1018 L N 2.278 123.609 121.223 0.181 0.000 2.295 1018 L HA 0.454 4.794 4.340 -0.000 0.000 0.285 1018 L C -0.828 176.155 176.870 0.188 0.000 1.035 1018 L CA -0.723 54.235 54.840 0.197 0.000 0.806 1018 L CB 1.707 43.894 42.059 0.214 0.000 1.214 1018 L HN 0.404 nan 8.230 nan 0.000 0.426 1019 V N 2.759 122.779 119.914 0.177 0.000 2.326 1019 V HA 0.208 4.328 4.120 -0.000 0.000 0.281 1019 V C -0.389 175.872 176.094 0.278 0.000 1.015 1019 V CA -0.503 61.860 62.300 0.105 0.000 0.823 1019 V CB 1.604 33.247 31.823 -0.301 0.000 1.009 1019 V HN 0.866 nan 8.190 nan 0.000 0.436 1020 C N 4.882 124.283 119.300 0.169 0.000 2.301 1020 C HA 0.601 5.061 4.460 -0.000 0.000 0.323 1020 C C -0.350 174.735 174.990 0.157 0.000 1.265 1020 C CA -0.552 58.559 59.018 0.155 0.000 1.503 1020 C CB 0.371 28.133 27.740 0.037 0.000 2.195 1020 C HN 0.909 nan 8.230 nan 0.000 0.477 1021 D N 4.687 125.206 120.400 0.197 0.000 2.317 1021 D HA 0.272 4.912 4.640 -0.000 0.000 0.234 1021 D C -0.418 175.919 176.300 0.062 0.000 1.112 1021 D CA 0.142 54.229 54.000 0.145 0.000 0.840 1021 D CB 0.622 41.543 40.800 0.202 0.000 1.078 1021 D HN 0.653 nan 8.370 nan 0.000 0.486 1022 N N 2.979 121.724 118.700 0.075 0.000 2.439 1022 N HA 0.463 5.203 4.740 -0.000 0.000 0.249 1022 N C -0.006 175.497 175.510 -0.011 0.000 1.003 1022 N CA -0.434 52.635 53.050 0.031 0.000 0.942 1022 N CB 1.863 40.423 38.487 0.121 0.000 1.115 1022 N HN 0.414 nan 8.380 nan 0.000 0.505 1023 G N 0.066 108.832 108.800 -0.056 0.000 2.498 1023 G HA2 0.260 4.220 3.960 -0.000 0.000 0.312 1023 G HA3 0.260 4.220 3.960 -0.000 0.000 0.312 1023 G C 0.659 175.510 174.900 -0.081 0.000 1.230 1023 G CA -0.449 44.618 45.100 -0.054 0.000 0.968 1023 G HN 0.354 nan 8.290 nan 0.000 0.481 1024 S N 0.483 116.130 115.700 -0.089 0.000 2.389 1024 S HA -0.185 4.285 4.470 -0.000 0.000 0.231 1024 S C 2.237 176.732 174.600 -0.176 0.000 1.052 1024 S CA 2.174 60.286 58.200 -0.147 0.000 1.053 1024 S CB -0.190 62.911 63.200 -0.166 0.000 0.886 1024 S HN 0.899 nan 8.310 nan 0.000 0.456 1025 G N -0.762 107.959 108.800 -0.133 0.000 2.724 1025 G HA2 0.478 4.438 3.960 -0.000 0.000 0.205 1025 G HA3 0.478 4.438 3.960 -0.000 0.000 0.205 1025 G C 0.207 175.094 174.900 -0.021 0.000 1.112 1025 G CA -0.183 44.867 45.100 -0.083 0.000 0.793 1025 G HN 0.334 nan 8.290 nan 0.000 0.526 1026 L N 0.690 121.872 121.223 -0.068 0.000 2.388 1026 L HA 0.589 4.929 4.340 -0.000 0.000 0.264 1026 L C -1.087 175.654 176.870 -0.215 0.000 0.998 1026 L CA -1.072 53.696 54.840 -0.120 0.000 0.817 1026 L CB 3.093 45.107 42.059 -0.075 0.000 1.338 1026 L HN -0.231 nan 8.230 nan 0.000 0.414 1027 V N 1.981 121.629 119.914 -0.444 0.000 2.370 1027 V HA 0.390 4.510 4.120 -0.000 0.000 0.283 1027 V C -0.454 175.313 176.094 -0.545 0.000 1.023 1027 V CA -0.730 61.235 62.300 -0.559 0.000 0.857 1027 V CB 1.464 32.680 31.823 -1.012 0.000 0.985 1027 V HN 0.530 nan 8.190 nan 0.000 0.443 1028 K N 4.068 124.289 120.400 -0.298 0.000 2.316 1028 K HA 0.778 5.098 4.320 -0.000 0.000 0.267 1028 K C -0.334 176.131 176.600 -0.224 0.000 1.025 1028 K CA 0.061 56.153 56.287 -0.326 0.000 0.896 1028 K CB 1.725 34.077 32.500 -0.248 0.000 1.124 1028 K HN 0.831 nan 8.250 nan 0.000 0.451 1029 A N 1.900 124.550 122.820 -0.284 0.000 2.356 1029 A HA 0.907 5.227 4.320 -0.000 0.000 0.310 1029 A C -0.213 177.230 177.584 -0.236 0.000 1.075 1029 A CA -0.302 51.671 52.037 -0.106 0.000 0.746 1029 A CB 1.449 20.413 19.000 -0.061 0.000 1.221 1029 A HN 0.681 nan 8.150 nan 0.000 0.443 1030 G N 0.044 108.849 108.800 0.008 0.000 2.706 1030 G HA2 0.623 4.583 3.960 -0.000 0.000 0.307 1030 G HA3 0.623 4.583 3.960 -0.000 0.000 0.307 1030 G C -1.550 173.323 174.900 -0.045 0.000 1.307 1030 G CA -0.583 44.410 45.100 -0.178 0.000 0.790 1030 G HN 0.438 nan 8.290 nan 0.000 0.503 1031 F N 1.147 121.296 119.950 0.332 0.000 2.422 1031 F HA 0.717 5.244 4.527 -0.000 0.000 0.333 1031 F C 1.074 177.004 175.800 0.217 0.000 1.095 1031 F CA -0.509 57.605 58.000 0.191 0.000 1.038 1031 F CB 1.568 40.613 39.000 0.076 0.000 1.156 1031 F HN 0.638 nan 8.300 nan 0.000 0.483 1032 A N 1.258 124.247 122.820 0.282 0.000 2.492 1032 A HA 0.414 4.734 4.320 -0.000 0.000 0.236 1032 A C 1.372 179.037 177.584 0.134 0.000 1.078 1032 A CA 0.496 52.598 52.037 0.107 0.000 0.773 1032 A CB -0.854 18.213 19.000 0.112 0.000 1.023 1032 A HN 1.748 nan 8.150 nan 0.000 0.504 1033 G N 0.335 109.163 108.800 0.048 0.000 2.184 1033 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.264 1033 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.264 1033 G C -0.189 174.793 174.900 0.136 0.000 0.975 1033 G CA 0.563 45.707 45.100 0.074 0.000 0.642 1033 G HN 0.895 nan 8.290 nan 0.000 0.536 1034 D N 0.513 121.061 120.400 0.246 0.000 2.181 1034 D HA 0.410 5.049 4.640 -0.000 0.000 0.248 1034 D C 1.081 177.595 176.300 0.356 0.000 1.020 1034 D CA -0.109 54.073 54.000 0.303 0.000 0.891 1034 D CB 1.070 42.093 40.800 0.371 0.000 1.187 1034 D HN 0.268 nan 8.370 nan 0.000 0.443 1035 D N -0.341 120.198 120.400 0.232 0.000 2.363 1035 D HA 0.104 4.744 4.640 -0.000 0.000 0.226 1035 D C -0.044 176.399 176.300 0.239 0.000 1.020 1035 D CA -0.118 54.013 54.000 0.218 0.000 0.892 1035 D CB 0.286 41.163 40.800 0.128 0.000 0.900 1035 D HN 0.290 nan 8.370 nan 0.000 0.531 1036 A N 0.846 123.776 122.820 0.184 0.000 2.605 1036 A HA 0.509 4.829 4.320 -0.000 0.000 0.294 1036 A C -3.003 174.109 177.584 -0.787 0.000 1.062 1036 A CA -1.320 50.616 52.037 -0.167 0.000 0.682 1036 A CB 1.578 20.493 19.000 -0.140 0.000 1.278 1036 A HN -0.086 nan 8.150 nan 0.000 0.410 1037 P HA 0.179 nan 4.420 nan 0.000 0.276 1037 P C 0.450 177.240 177.300 -0.851 0.000 1.253 1037 P CA -0.076 61.974 63.100 -1.751 0.000 0.766 1037 P CB 1.287 31.852 31.700 -1.892 0.000 0.845 1038 R N 3.873 124.018 120.500 -0.592 0.000 2.083 1038 R HA -0.081 4.259 4.340 -0.000 0.000 0.237 1038 R C 0.595 176.712 176.300 -0.305 0.000 1.137 1038 R CA 1.614 57.508 56.100 -0.344 0.000 0.951 1038 R CB -0.239 29.894 30.300 -0.277 0.000 0.851 1038 R HN 0.606 nan 8.270 nan 0.000 0.434 1039 A N 0.216 122.838 122.820 -0.330 0.000 2.318 1039 A HA 0.570 4.889 4.320 -0.000 0.000 0.324 1039 A C -1.250 176.198 177.584 -0.228 0.000 1.170 1039 A CA -0.595 51.337 52.037 -0.174 0.000 0.810 1039 A CB 1.966 20.944 19.000 -0.036 0.000 1.198 1039 A HN 0.091 nan 8.150 nan 0.000 0.484 1040 V N 3.878 123.715 119.914 -0.128 0.000 2.501 1040 V HA 0.442 4.561 4.120 -0.000 0.000 0.277 1040 V C -1.095 174.988 176.094 -0.018 0.000 1.004 1040 V CA -0.266 61.911 62.300 -0.204 0.000 0.862 1040 V CB 0.079 31.752 31.823 -0.251 0.000 1.035 1040 V HN 0.831 nan 8.190 nan 0.000 0.448 1041 F N 4.053 123.970 119.950 -0.055 0.000 2.611 1041 F HA 0.962 5.489 4.527 -0.000 0.000 0.324 1041 F C -2.730 173.069 175.800 -0.002 0.000 1.061 1041 F CA -3.275 54.717 58.000 -0.013 0.000 0.954 1041 F CB 1.484 40.501 39.000 0.028 0.000 1.301 1041 F HN 0.196 nan 8.300 nan 0.000 0.482 1042 P HA 0.026 nan 4.420 nan 0.000 0.275 1042 P C -0.426 176.967 177.300 0.155 0.000 1.227 1042 P CA -0.188 62.979 63.100 0.112 0.000 0.781 1042 P CB 1.624 33.390 31.700 0.109 0.000 0.906 1043 S N 3.158 118.905 115.700 0.078 0.000 4.087 1043 S HA 0.361 4.831 4.470 -0.000 0.000 0.213 1043 S C 0.169 174.819 174.600 0.083 0.000 1.415 1043 S CA -0.500 57.742 58.200 0.069 0.000 0.893 1043 S CB -1.944 61.252 63.200 -0.007 0.000 1.529 1043 S HN 0.276 nan 8.310 nan 0.000 0.457 1044 I N 0.362 120.935 120.570 0.005 0.000 3.343 1044 I HA 0.799 4.968 4.170 -0.000 0.000 0.315 1044 I C -0.866 175.184 176.117 -0.112 0.000 1.153 1044 I CA -1.415 59.797 61.300 -0.148 0.000 0.952 1044 I CB 1.598 39.409 38.000 -0.315 0.000 1.287 1044 I HN 0.030 nan 8.210 nan 0.000 0.472 1045 V N 0.572 120.400 119.914 -0.143 0.000 2.777 1045 V HA 0.769 4.889 4.120 -0.000 0.000 0.306 1045 V C -0.121 175.926 176.094 -0.078 0.000 1.112 1045 V CA -0.385 61.859 62.300 -0.093 0.000 0.917 1045 V CB 1.928 33.701 31.823 -0.083 0.000 1.018 1045 V HN 1.152 nan 8.190 nan 0.000 0.426 1046 G N 4.214 113.008 108.800 -0.009 0.000 2.343 1046 G HA2 0.694 4.654 3.960 -0.000 0.000 0.319 1046 G HA3 0.694 4.654 3.960 -0.000 0.000 0.319 1046 G C -0.579 174.355 174.900 0.057 0.000 1.126 1046 G CA -0.574 44.545 45.100 0.032 0.000 0.889 1046 G HN 0.452 nan 8.290 nan 0.000 0.457 1047 R N 3.074 123.582 120.500 0.014 0.000 2.472 1047 R HA 0.266 4.606 4.340 -0.000 0.000 0.294 1047 R C -2.850 173.457 176.300 0.010 0.000 1.243 1047 R CA -2.055 54.044 56.100 -0.002 0.000 1.023 1047 R CB 1.333 31.613 30.300 -0.033 0.000 1.157 1047 R HN 0.334 nan 8.270 nan 0.000 0.530 1048 P HA -0.168 nan 4.420 nan 0.000 0.252 1048 P C 0.058 177.371 177.300 0.021 0.000 1.126 1048 P CA 0.533 63.662 63.100 0.048 0.000 0.777 1048 P CB 0.236 31.976 31.700 0.066 0.000 0.711 1049 R N 3.272 123.776 120.500 0.006 0.000 2.448 1049 R HA -0.242 4.098 4.340 -0.000 0.000 0.272 1049 R C 1.355 177.683 176.300 0.047 0.000 0.935 1049 R CA 1.258 57.349 56.100 -0.014 0.000 1.084 1049 R CB -0.385 29.937 30.300 0.036 0.000 0.840 1049 R HN 0.676 nan 8.270 nan 0.000 0.432 1050 H N 1.036 120.108 119.070 0.003 0.000 1.452 1050 H HA -0.373 4.183 4.556 -0.000 0.000 0.090 1050 H C 0.124 175.454 175.328 0.002 0.000 1.204 1050 H CA 2.037 58.086 56.048 0.003 0.000 1.901 1050 H CB -0.461 29.303 29.762 0.004 0.000 2.257 1050 H HN 0.663 nan 8.280 nan 0.000 0.961 1051 Q N 0.700 120.598 119.800 0.164 0.000 2.431 1051 Q HA -0.140 4.200 4.340 -0.000 0.000 0.344 1051 Q C 0.465 176.501 176.000 0.060 0.000 1.384 1051 Q CA 1.091 56.941 55.803 0.078 0.000 0.984 1051 Q CB -1.672 27.095 28.738 0.049 0.000 1.204 1051 Q HN 0.769 nan 8.270 nan 0.000 0.392 1052 G N -0.582 108.260 108.800 0.069 0.000 4.098 1052 G HA2 0.463 4.423 3.960 -0.000 0.000 0.300 1052 G HA3 0.463 4.423 3.960 -0.000 0.000 0.300 1052 G C 0.060 174.979 174.900 0.032 0.000 1.187 1052 G CA 0.237 45.367 45.100 0.050 0.000 0.964 1052 G HN 0.161 nan 8.290 nan 0.000 0.559 1053 V N -0.408 119.521 119.914 0.024 0.000 3.165 1053 V HA 0.466 4.586 4.120 -0.000 0.000 0.309 1053 V C 0.853 176.953 176.094 0.011 0.000 1.267 1053 V CA -0.959 61.350 62.300 0.014 0.000 1.067 1053 V CB 1.668 33.497 31.823 0.009 0.000 1.082 1053 V HN 0.312 nan 8.190 nan 0.000 0.451 1054 M N 0.136 119.740 119.600 0.007 0.000 1.902 1054 M HA 0.122 4.602 4.480 -0.000 0.000 0.102 1054 M C 0.686 176.989 176.300 0.004 0.000 0.914 1054 M CA 1.307 56.610 55.300 0.005 0.000 0.660 1054 M CB 0.030 32.632 32.600 0.004 0.000 0.570 1054 M HN 0.581 nan 8.290 nan 0.000 0.355 1055 V N -1.039 118.877 119.914 0.003 0.000 2.312 1055 V HA -0.347 3.773 4.120 -0.000 0.000 0.149 1055 V C 0.838 176.934 176.094 0.003 0.000 2.427 1055 V CA 0.865 63.167 62.300 0.002 0.000 1.606 1055 V CB -1.983 29.842 31.823 0.002 0.000 1.267 1055 V HN 0.784 nan 8.190 nan 0.000 0.455 1056 V N -1.409 118.507 119.914 0.003 0.000 4.773 1056 V HA -0.316 3.804 4.120 -0.000 0.000 0.227 1056 V C 0.668 176.764 176.094 0.002 0.000 0.653 1056 V CA 1.717 64.020 62.300 0.004 0.000 0.744 1056 V CB -2.019 29.809 31.823 0.008 0.000 0.646 1056 V HN 0.641 nan 8.190 nan 0.000 0.869 1057 M N 0.447 120.047 119.600 -0.000 0.000 2.240 1057 M HA 0.473 4.953 4.480 -0.000 0.000 0.317 1057 M C 1.489 177.785 176.300 -0.006 0.000 1.087 1057 M CA 1.667 56.965 55.300 -0.003 0.000 1.176 1057 M CB 0.340 32.938 32.600 -0.003 0.000 1.439 1057 M HN 0.489 nan 8.290 nan 0.000 0.452 1058 G N -0.552 108.241 108.800 -0.011 0.000 2.624 1058 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.190 1058 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.190 1058 G C 0.324 175.208 174.900 -0.026 0.000 1.008 1058 G CA 0.246 45.336 45.100 -0.017 0.000 0.731 1058 G HN 0.657 nan 8.290 nan 0.000 0.478 1059 Q N -1.564 118.223 119.800 -0.022 0.000 2.324 1059 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 1059 Q C 2.306 178.282 176.000 -0.041 0.000 0.645 1059 Q CA 2.956 58.743 55.803 -0.027 0.000 1.377 1059 Q CB -1.625 27.093 28.738 -0.032 0.000 1.486 1059 Q HN 2.500 nan 8.270 nan 0.000 0.796 1060 G N 0.523 109.299 108.800 -0.040 0.000 2.366 1060 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.263 1060 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.263 1060 G C 0.226 175.054 174.900 -0.120 0.000 0.986 1060 G CA 1.572 46.641 45.100 -0.052 0.000 0.632 1060 G HN 1.754 nan 8.290 nan 0.000 0.555 1061 D N -1.636 118.685 120.400 -0.132 0.000 10.448 1061 D HA 0.178 4.818 4.640 -0.000 0.000 0.360 1061 D C 0.032 176.150 176.300 -0.303 0.000 3.024 1061 D CA 1.859 55.739 54.000 -0.200 0.000 2.424 1061 D CB -1.181 39.486 40.800 -0.221 0.000 1.149 1061 D HN 1.760 nan 8.370 nan 0.000 1.024 1062 S N -0.861 114.638 115.700 -0.334 0.000 2.648 1062 S HA 0.768 5.238 4.470 -0.000 0.000 0.305 1062 S C -1.032 173.283 174.600 -0.474 0.000 1.094 1062 S CA -0.962 57.036 58.200 -0.337 0.000 0.983 1062 S CB 1.259 64.366 63.200 -0.156 0.000 1.101 1062 S HN 0.589 nan 8.310 nan 0.000 0.514 1063 Y N -0.323 119.929 120.300 -0.080 0.000 2.429 1063 Y HA 0.728 5.278 4.550 -0.000 0.000 0.342 1063 Y C -0.085 175.720 175.900 -0.159 0.000 1.004 1063 Y CA -1.006 57.029 58.100 -0.108 0.000 1.075 1063 Y CB 1.939 40.343 38.460 -0.094 0.000 1.214 1063 Y HN 0.676 nan 8.280 nan 0.000 0.455 1064 V N 2.879 122.735 119.914 -0.097 0.000 2.709 1064 V HA 0.892 5.012 4.120 -0.000 0.000 0.308 1064 V C 0.089 175.931 176.094 -0.421 0.000 1.062 1064 V CA 0.287 62.419 62.300 -0.281 0.000 0.901 1064 V CB 1.050 32.621 31.823 -0.420 0.000 1.003 1064 V HN 1.172 nan 8.190 nan 0.000 0.425 1065 G N 5.635 114.311 108.800 -0.207 0.000 2.539 1065 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.256 1065 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.256 1065 G C 0.311 175.187 174.900 -0.040 0.000 1.233 1065 G CA 0.595 45.648 45.100 -0.080 0.000 0.936 1065 G HN 0.875 nan 8.290 nan 0.000 0.571 1066 D N 0.179 120.583 120.400 0.007 0.000 2.190 1066 D HA -0.042 4.598 4.640 -0.000 0.000 0.200 1066 D C 2.141 178.417 176.300 -0.040 0.000 0.992 1066 D CA 1.595 55.597 54.000 0.003 0.000 0.854 1066 D CB -0.213 40.603 40.800 0.027 0.000 0.936 1066 D HN 0.614 nan 8.370 nan 0.000 0.462 1067 E N 0.088 120.255 120.200 -0.055 0.000 2.097 1067 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 1067 E C 1.727 178.249 176.600 -0.130 0.000 1.000 1067 E CA 1.193 57.556 56.400 -0.061 0.000 0.804 1067 E CB 0.007 29.698 29.700 -0.016 0.000 0.740 1067 E HN 0.240 nan 8.360 nan 0.000 0.454 1068 A N 0.768 123.526 122.820 -0.102 0.000 2.037 1068 A HA -0.315 4.005 4.320 -0.000 0.000 0.200 1068 A C 1.944 179.436 177.584 -0.155 0.000 1.230 1068 A CA 1.826 53.788 52.037 -0.124 0.000 0.695 1068 A CB -1.296 17.663 19.000 -0.068 0.000 0.883 1068 A HN 0.373 nan 8.150 nan 0.000 0.502 1069 Q N 0.483 120.220 119.800 -0.105 0.000 2.277 1069 Q HA -0.314 4.026 4.340 -0.000 0.000 0.222 1069 Q C 1.508 177.443 176.000 -0.108 0.000 1.083 1069 Q CA 3.576 59.324 55.803 -0.092 0.000 0.964 1069 Q CB -1.424 27.279 28.738 -0.059 0.000 1.088 1069 Q HN 0.915 nan 8.270 nan 0.000 0.477 1070 S N -0.344 115.291 115.700 -0.109 0.000 3.269 1070 S HA 0.021 4.490 4.470 -0.000 0.000 0.252 1070 S C 0.579 175.086 174.600 -0.155 0.000 1.087 1070 S CA 0.928 59.062 58.200 -0.111 0.000 1.242 1070 S CB -0.416 62.729 63.200 -0.092 0.000 1.044 1070 S HN 0.549 nan 8.310 nan 0.000 0.482 1071 K N -0.369 119.930 120.400 -0.168 0.000 2.595 1071 K HA -0.006 4.313 4.320 -0.000 0.000 0.113 1071 K C 1.163 177.663 176.600 -0.167 0.000 1.480 1071 K CA 0.239 56.410 56.287 -0.194 0.000 1.012 1071 K CB -0.315 31.987 32.500 -0.330 0.000 1.477 1071 K HN 0.255 nan 8.250 nan 0.000 0.347 1072 R N 1.069 121.491 120.500 -0.130 0.000 2.103 1072 R HA -0.063 4.277 4.340 -0.000 0.000 0.242 1072 R C 1.728 177.986 176.300 -0.070 0.000 1.142 1072 R CA 2.796 58.838 56.100 -0.098 0.000 0.960 1072 R CB -1.211 29.038 30.300 -0.085 0.000 0.858 1072 R HN 0.269 nan 8.270 nan 0.000 0.439 1073 G N 1.634 110.397 108.800 -0.061 0.000 2.805 1073 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.227 1073 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.227 1073 G C 1.227 176.108 174.900 -0.030 0.000 1.143 1073 G CA 1.787 46.862 45.100 -0.041 0.000 0.759 1073 G HN 0.695 nan 8.290 nan 0.000 0.634 1074 I N -1.129 119.423 120.570 -0.031 0.000 3.626 1074 I HA 0.638 4.808 4.170 -0.000 0.000 0.345 1074 I C -0.795 175.321 176.117 -0.002 0.000 1.502 1074 I CA -0.964 60.330 61.300 -0.010 0.000 1.135 1074 I CB 0.206 38.206 38.000 0.000 0.000 1.456 1074 I HN 0.086 nan 8.210 nan 0.000 0.460 1075 L N -1.681 119.531 121.223 -0.018 0.000 2.565 1075 L HA 0.588 4.928 4.340 -0.000 0.000 0.261 1075 L C -0.440 176.406 176.870 -0.039 0.000 0.932 1075 L CA -0.712 54.124 54.840 -0.008 0.000 0.878 1075 L CB 1.129 43.209 42.059 0.035 0.000 1.333 1075 L HN 0.019 nan 8.230 nan 0.000 0.409 1076 T N 3.223 117.745 114.554 -0.053 0.000 2.817 1076 T HA 0.707 5.057 4.350 -0.000 0.000 0.293 1076 T C -0.282 174.362 174.700 -0.093 0.000 0.964 1076 T CA -0.192 61.860 62.100 -0.080 0.000 1.085 1076 T CB 0.148 68.954 68.868 -0.103 0.000 0.921 1076 T HN 0.608 nan 8.240 nan 0.000 0.502 1077 L N 5.483 126.630 121.223 -0.127 0.000 2.289 1077 L HA 0.603 4.942 4.340 -0.000 0.000 0.285 1077 L C 0.452 177.177 176.870 -0.241 0.000 1.049 1077 L CA -0.809 53.911 54.840 -0.200 0.000 0.804 1077 L CB 1.122 43.020 42.059 -0.269 0.000 1.195 1077 L HN 0.400 nan 8.230 nan 0.000 0.428 1078 K N 3.079 123.331 120.400 -0.247 0.000 2.378 1078 K HA 0.432 4.752 4.320 -0.000 0.000 0.252 1078 K C -1.393 175.076 176.600 -0.218 0.000 0.931 1078 K CA -0.708 55.466 56.287 -0.187 0.000 0.794 1078 K CB 2.388 34.831 32.500 -0.095 0.000 1.181 1078 K HN 0.289 nan 8.250 nan 0.000 0.425 1079 Y N 1.996 122.243 120.300 -0.087 0.000 2.326 1079 Y HA 0.178 4.728 4.550 -0.000 0.000 0.337 1079 Y C -1.317 174.501 175.900 -0.138 0.000 1.023 1079 Y CA -1.724 56.311 58.100 -0.108 0.000 1.143 1079 Y CB 0.948 39.340 38.460 -0.113 0.000 1.183 1079 Y HN 0.469 nan 8.280 nan 0.000 0.485 1080 P HA -0.013 nan 4.420 nan 0.000 0.221 1080 P C -0.253 176.936 177.300 -0.185 0.000 1.155 1080 P CA 1.114 64.125 63.100 -0.148 0.000 0.812 1080 P CB 0.567 32.128 31.700 -0.231 0.000 0.801 1081 I N 0.708 121.190 120.570 -0.147 0.000 2.297 1081 I HA 0.142 4.312 4.170 -0.000 0.000 0.291 1081 I C 0.347 176.375 176.117 -0.149 0.000 1.033 1081 I CA -0.348 60.856 61.300 -0.160 0.000 1.253 1081 I CB 0.748 38.661 38.000 -0.145 0.000 1.396 1081 I HN -0.154 nan 8.210 nan 0.000 0.476 1082 E N 5.964 126.077 120.200 -0.145 0.000 2.146 1082 E HA 0.219 4.569 4.350 -0.000 0.000 0.282 1082 E C -0.295 176.226 176.600 -0.131 0.000 0.989 1082 E CA -0.574 55.697 56.400 -0.215 0.000 0.799 1082 E CB 0.602 30.213 29.700 -0.149 0.000 1.088 1082 E HN 0.517 nan 8.360 nan 0.000 0.397 1083 H N 2.181 121.216 119.070 -0.059 0.000 2.731 1083 H HA -0.249 4.307 4.556 -0.000 0.000 0.305 1083 H C 1.070 176.406 175.328 0.014 0.000 1.132 1083 H CA 1.169 57.202 56.048 -0.024 0.000 1.148 1083 H CB -1.407 28.349 29.762 -0.010 0.000 1.379 1083 H HN 1.052 nan 8.280 nan 0.000 0.398 1084 G N -1.191 107.635 108.800 0.043 0.000 2.217 1084 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.246 1084 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.246 1084 G C 0.130 175.040 174.900 0.016 0.000 0.990 1084 G CA 0.227 45.346 45.100 0.031 0.000 0.627 1084 G HN 0.367 nan 8.290 nan 0.000 0.522 1085 I N 1.447 122.032 120.570 0.026 0.000 2.460 1085 I HA 0.497 4.667 4.170 -0.000 0.000 0.298 1085 I C 0.717 176.785 176.117 -0.081 0.000 0.989 1085 I CA -1.148 60.158 61.300 0.010 0.000 1.173 1085 I CB 1.655 39.692 38.000 0.061 0.000 1.338 1085 I HN 0.075 nan 8.210 nan 0.000 0.456 1086 I N 5.133 125.605 120.570 -0.163 0.000 2.379 1086 I HA 0.082 4.252 4.170 -0.000 0.000 0.290 1086 I C 0.968 176.840 176.117 -0.410 0.000 1.063 1086 I CA 0.177 61.228 61.300 -0.415 0.000 1.351 1086 I CB 0.562 38.097 38.000 -0.774 0.000 1.410 1086 I HN 0.799 nan 8.210 nan 0.000 0.505 1087 T N 0.929 115.294 114.554 -0.316 0.000 2.990 1087 T HA 0.066 4.416 4.350 -0.000 0.000 0.250 1087 T C 0.725 175.313 174.700 -0.186 0.000 1.041 1087 T CA -0.133 61.867 62.100 -0.168 0.000 1.010 1087 T CB 0.085 68.913 68.868 -0.066 0.000 1.003 1087 T HN 0.515 nan 8.240 nan 0.000 0.499 1088 N N -0.211 118.298 118.700 -0.319 0.000 2.664 1088 N HA 0.155 4.895 4.740 -0.000 0.000 0.257 1088 N C -0.473 174.863 175.510 -0.290 0.000 1.108 1088 N CA -0.520 52.414 53.050 -0.195 0.000 0.822 1088 N CB 0.765 39.186 38.487 -0.109 0.000 1.199 1088 N HN 0.234 nan 8.380 nan 0.000 0.529 1089 W N 2.188 123.495 121.300 0.012 0.000 2.335 1089 W HA -0.098 4.562 4.660 -0.000 0.000 0.311 1089 W C 1.819 178.353 176.519 0.026 0.000 1.213 1089 W CA 0.719 58.081 57.345 0.029 0.000 1.274 1089 W CB -0.056 29.456 29.460 0.087 0.000 1.148 1089 W HN 0.462 nan 8.180 nan 0.000 0.498 1090 D N 0.564 121.091 120.400 0.212 0.000 2.182 1090 D HA -0.233 4.407 4.640 -0.000 0.000 0.193 1090 D C 1.506 177.844 176.300 0.062 0.000 0.999 1090 D CA 2.108 56.190 54.000 0.137 0.000 0.850 1090 D CB -0.891 39.965 40.800 0.093 0.000 0.994 1090 D HN 0.167 nan 8.370 nan 0.000 0.450 1091 D N 0.214 120.610 120.400 -0.007 0.000 2.158 1091 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 1091 D C 2.049 178.281 176.300 -0.112 0.000 0.995 1091 D CA 0.809 54.776 54.000 -0.054 0.000 0.846 1091 D CB -0.263 40.489 40.800 -0.080 0.000 0.941 1091 D HN 0.128 nan 8.370 nan 0.000 0.456 1092 M N 1.517 120.991 119.600 -0.211 0.000 2.059 1092 M HA -0.162 4.318 4.480 -0.000 0.000 0.259 1092 M C 1.800 177.889 176.300 -0.351 0.000 1.072 1092 M CA 1.570 56.591 55.300 -0.465 0.000 1.117 1092 M CB -0.509 31.658 32.600 -0.721 0.000 1.320 1092 M HN -0.078 nan 8.290 nan 0.000 0.408 1093 E N -0.088 120.120 120.200 0.013 0.000 2.095 1093 E HA -0.358 3.992 4.350 -0.000 0.000 0.212 1093 E C 2.091 178.930 176.600 0.397 0.000 1.044 1093 E CA 2.226 58.873 56.400 0.412 0.000 0.857 1093 E CB -0.506 29.467 29.700 0.455 0.000 0.764 1093 E HN 0.507 nan 8.360 nan 0.000 0.462 1094 K N 0.872 121.407 120.400 0.226 0.000 2.032 1094 K HA -0.216 4.104 4.320 -0.000 0.000 0.218 1094 K C 2.107 178.863 176.600 0.259 0.000 1.054 1094 K CA 1.790 58.208 56.287 0.218 0.000 0.941 1094 K CB -0.336 32.211 32.500 0.079 0.000 0.720 1094 K HN 0.103 nan 8.250 nan 0.000 0.449 1095 I N -0.550 120.069 120.570 0.083 0.000 2.113 1095 I HA -0.351 3.819 4.170 -0.000 0.000 0.242 1095 I C 2.145 178.381 176.117 0.199 0.000 1.064 1095 I CA 1.527 62.879 61.300 0.086 0.000 1.320 1095 I CB -0.504 37.427 38.000 -0.115 0.000 1.028 1095 I HN 0.411 nan 8.210 nan 0.000 0.406 1096 W N 0.740 122.111 121.300 0.119 0.000 2.335 1096 W HA -0.243 4.416 4.660 -0.000 0.000 0.311 1096 W C 2.734 179.269 176.519 0.026 0.000 1.213 1096 W CA 1.831 59.102 57.345 -0.123 0.000 1.274 1096 W CB -1.460 27.838 29.460 -0.270 0.000 1.148 1096 W HN 0.360 nan 8.180 nan 0.000 0.498 1097 H N -1.134 118.314 119.070 0.630 0.000 2.289 1097 H HA -0.272 4.283 4.556 -0.000 0.000 0.296 1097 H C 2.288 177.922 175.328 0.510 0.000 1.091 1097 H CA 2.815 59.321 56.048 0.764 0.000 1.274 1097 H CB -0.782 29.346 29.762 0.611 0.000 1.364 1097 H HN 0.115 nan 8.280 nan 0.000 0.490 1098 H N -0.683 118.562 119.070 0.293 0.000 2.387 1098 H HA -0.110 4.446 4.556 -0.000 0.000 0.299 1098 H C 2.015 177.310 175.328 -0.056 0.000 1.099 1098 H CA 2.287 58.380 56.048 0.074 0.000 1.315 1098 H CB -0.414 29.336 29.762 -0.020 0.000 1.380 1098 H HN 0.429 nan 8.280 nan 0.000 0.513 1099 T N -0.205 114.323 114.554 -0.043 0.000 2.788 1099 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 1099 T C 1.680 176.273 174.700 -0.178 0.000 1.044 1099 T CA 1.562 63.606 62.100 -0.093 0.000 1.139 1099 T CB -0.349 68.516 68.868 -0.005 0.000 0.867 1099 T HN 0.280 nan 8.240 nan 0.000 0.454 1100 F N -0.534 119.375 119.950 -0.068 0.000 2.104 1100 F HA 0.112 4.639 4.527 -0.000 0.000 0.288 1100 F C 2.221 177.871 175.800 -0.250 0.000 1.107 1100 F CA 0.628 58.502 58.000 -0.211 0.000 1.208 1100 F CB -0.362 38.406 39.000 -0.387 0.000 1.033 1100 F HN 0.095 nan 8.300 nan 0.000 0.478 1101 Y N 0.221 120.559 120.300 0.063 0.000 2.220 1101 Y HA -0.126 4.424 4.550 -0.000 0.000 0.291 1101 Y C 2.004 177.843 175.900 -0.102 0.000 1.129 1101 Y CA 1.502 59.566 58.100 -0.059 0.000 1.161 1101 Y CB -0.639 37.694 38.460 -0.212 0.000 0.997 1101 Y HN 0.067 nan 8.280 nan 0.000 0.522 1102 N N -0.994 117.665 118.700 -0.068 0.000 2.336 1102 N HA -0.087 4.653 4.740 -0.000 0.000 0.177 1102 N C 1.501 176.821 175.510 -0.316 0.000 1.018 1102 N CA 0.543 53.464 53.050 -0.215 0.000 0.878 1102 N CB 0.193 38.466 38.487 -0.357 0.000 0.997 1102 N HN 0.243 nan 8.380 nan 0.000 0.433 1103 E N 0.827 120.774 120.200 -0.422 0.000 2.052 1103 E HA 0.053 4.403 4.350 -0.000 0.000 0.192 1103 E C 1.841 178.370 176.600 -0.117 0.000 0.958 1103 E CA 0.396 56.620 56.400 -0.293 0.000 0.835 1103 E CB -0.296 29.201 29.700 -0.339 0.000 0.811 1103 E HN 0.092 nan 8.360 nan 0.000 0.462 1104 L N 0.979 122.152 121.223 -0.083 0.000 2.201 1104 L HA -0.019 4.321 4.340 -0.000 0.000 0.212 1104 L C 0.265 177.191 176.870 0.093 0.000 1.105 1104 L CA 0.887 55.707 54.840 -0.033 0.000 0.775 1104 L CB -0.327 41.715 42.059 -0.029 0.000 0.913 1104 L HN 0.141 nan 8.230 nan 0.000 0.440 1105 R N -0.454 120.085 120.500 0.066 0.000 3.144 1105 R HA -0.115 4.225 4.340 -0.000 0.000 0.255 1105 R C -0.613 175.775 176.300 0.147 0.000 0.949 1105 R CA 0.872 57.034 56.100 0.104 0.000 0.649 1105 R CB -2.532 27.822 30.300 0.090 0.000 1.229 1105 R HN 0.269 nan 8.270 nan 0.000 0.440 1106 V N -4.082 115.914 119.914 0.136 0.000 3.181 1106 V HA 0.956 5.076 4.120 -0.000 0.000 0.307 1106 V C -0.624 175.494 176.094 0.039 0.000 1.310 1106 V CA -0.645 61.740 62.300 0.141 0.000 1.067 1106 V CB 2.567 34.511 31.823 0.201 0.000 1.081 1106 V HN 0.368 nan 8.190 nan 0.000 0.453 1107 A N 1.549 124.404 122.820 0.058 0.000 2.273 1107 A HA 0.777 5.097 4.320 -0.000 0.000 0.320 1107 A C -1.237 176.240 177.584 -0.178 0.000 1.358 1107 A CA -1.508 50.509 52.037 -0.033 0.000 0.910 1107 A CB 0.597 19.622 19.000 0.042 0.000 1.159 1107 A HN 0.794 nan 8.150 nan 0.000 0.526 1108 P HA -0.235 nan 4.420 nan 0.000 0.220 1108 P C 0.760 177.863 177.300 -0.329 0.000 1.144 1108 P CA 1.350 64.049 63.100 -0.668 0.000 0.800 1108 P CB 0.263 31.425 31.700 -0.896 0.000 0.772 1109 E N 0.415 120.509 120.200 -0.177 0.000 2.482 1109 E HA -0.104 4.245 4.350 -0.000 0.000 0.196 1109 E C 1.282 177.786 176.600 -0.159 0.000 1.047 1109 E CA 0.696 57.027 56.400 -0.115 0.000 0.869 1109 E CB -0.473 29.200 29.700 -0.044 0.000 0.836 1109 E HN 0.451 nan 8.360 nan 0.000 0.520 1110 E N 0.003 120.061 120.200 -0.237 0.000 2.431 1110 E HA 0.080 4.430 4.350 -0.000 0.000 0.200 1110 E C 0.120 176.353 176.600 -0.612 0.000 0.995 1110 E CA 0.147 56.301 56.400 -0.410 0.000 0.915 1110 E CB 0.354 29.750 29.700 -0.507 0.000 0.930 1110 E HN 0.288 nan 8.360 nan 0.000 0.496 1111 H N 0.402 119.379 119.070 -0.156 0.000 2.572 1111 H HA 0.350 4.906 4.556 -0.000 0.000 0.359 1111 H C -2.518 172.671 175.328 -0.231 0.000 1.134 1111 H CA -2.457 53.496 56.048 -0.159 0.000 1.187 1111 H CB 1.650 31.371 29.762 -0.068 0.000 1.597 1111 H HN -0.105 nan 8.280 nan 0.000 0.524 1112 P HA 0.185 nan 4.420 nan 0.000 0.282 1112 P C -0.501 176.663 177.300 -0.227 0.000 1.249 1112 P CA -0.281 62.555 63.100 -0.440 0.000 0.806 1112 P CB 0.884 31.929 31.700 -1.091 0.000 0.984 1113 T N 2.668 117.166 114.554 -0.093 0.000 2.863 1113 T HA 0.459 4.809 4.350 -0.000 0.000 0.285 1113 T C -0.585 174.292 174.700 0.294 0.000 1.009 1113 T CA -0.566 61.593 62.100 0.099 0.000 0.989 1113 T CB 0.733 69.624 68.868 0.038 0.000 1.004 1113 T HN 0.241 nan 8.240 nan 0.000 0.455 1114 L N 4.186 125.605 121.223 0.327 0.000 2.280 1114 L HA 0.579 4.919 4.340 -0.000 0.000 0.287 1114 L C -1.207 175.749 176.870 0.144 0.000 1.023 1114 L CA -0.789 54.246 54.840 0.325 0.000 0.819 1114 L CB 0.504 42.727 42.059 0.273 0.000 1.212 1114 L HN 0.501 nan 8.230 nan 0.000 0.420 1115 L N 3.869 125.147 121.223 0.091 0.000 2.329 1115 L HA 0.492 4.832 4.340 -0.000 0.000 0.279 1115 L C 0.396 177.299 176.870 0.054 0.000 1.014 1115 L CA -0.614 54.245 54.840 0.030 0.000 0.814 1115 L CB 2.131 44.153 42.059 -0.063 0.000 1.257 1115 L HN 0.570 nan 8.230 nan 0.000 0.424 1116 T N -0.530 114.066 114.554 0.071 0.000 2.928 1116 T HA 0.585 4.935 4.350 -0.000 0.000 0.284 1116 T C -0.433 174.305 174.700 0.064 0.000 1.008 1116 T CA -0.655 61.487 62.100 0.069 0.000 1.057 1116 T CB 1.834 70.742 68.868 0.066 0.000 1.018 1116 T HN 0.767 nan 8.240 nan 0.000 0.493 1117 E N 0.882 121.109 120.200 0.046 0.000 2.433 1117 E HA 0.676 5.026 4.350 -0.000 0.000 0.273 1117 E C -1.099 175.485 176.600 -0.026 0.000 0.950 1117 E CA -1.678 54.743 56.400 0.035 0.000 0.796 1117 E CB 1.664 31.398 29.700 0.056 0.000 1.330 1117 E HN 0.823 nan 8.360 nan 0.000 0.455 1118 A N 1.501 124.285 122.820 -0.059 0.000 2.316 1118 A HA 0.526 4.846 4.320 -0.000 0.000 0.284 1118 A C -2.348 175.097 177.584 -0.232 0.000 1.115 1118 A CA -1.675 50.235 52.037 -0.212 0.000 0.812 1118 A CB -0.057 18.826 19.000 -0.195 0.000 1.064 1118 A HN 0.459 nan 8.150 nan 0.000 0.489 1119 P HA 0.170 nan 4.420 nan 0.000 0.262 1119 P C 0.099 177.382 177.300 -0.028 0.000 1.182 1119 P CA 0.630 63.617 63.100 -0.189 0.000 0.761 1119 P CB 0.110 31.708 31.700 -0.170 0.000 0.795 1120 L N -1.121 120.121 121.223 0.032 0.000 4.560 1120 L HA -0.270 4.070 4.340 -0.000 0.000 0.415 1120 L C 0.540 177.457 176.870 0.078 0.000 1.123 1120 L CA -0.098 54.785 54.840 0.071 0.000 0.991 1120 L CB -2.108 40.015 42.059 0.106 0.000 2.127 1120 L HN 0.478 nan 8.230 nan 0.000 0.765 1121 N N 1.903 120.642 118.700 0.065 0.000 2.357 1121 N HA 0.159 4.899 4.740 -0.000 0.000 0.257 1121 N C -2.124 173.449 175.510 0.104 0.000 1.250 1121 N CA -0.576 52.526 53.050 0.088 0.000 0.862 1121 N CB 0.664 39.204 38.487 0.088 0.000 1.066 1121 N HN -0.058 nan 8.380 nan 0.000 0.468 1122 P HA -0.012 nan 4.420 nan 0.000 0.262 1122 P C 0.096 177.477 177.300 0.136 0.000 1.199 1122 P CA 0.116 63.286 63.100 0.117 0.000 0.763 1122 P CB 0.505 32.285 31.700 0.133 0.000 0.790 1123 K N 3.298 123.760 120.400 0.103 0.000 2.077 1123 K HA -0.280 4.040 4.320 -0.000 0.000 0.213 1123 K C 1.973 178.690 176.600 0.195 0.000 1.051 1123 K CA 2.057 58.427 56.287 0.138 0.000 0.929 1123 K CB -0.574 31.917 32.500 -0.015 0.000 0.715 1123 K HN 0.475 nan 8.250 nan 0.000 0.451 1124 A N 1.765 124.669 122.820 0.139 0.000 1.927 1124 A HA -0.296 4.024 4.320 -0.000 0.000 0.220 1124 A C 1.795 179.451 177.584 0.120 0.000 1.185 1124 A CA 2.240 54.347 52.037 0.116 0.000 0.639 1124 A CB -0.683 18.376 19.000 0.098 0.000 0.820 1124 A HN 0.301 nan 8.150 nan 0.000 0.451 1125 N N -0.762 118.065 118.700 0.211 0.000 2.022 1125 N HA -0.149 4.591 4.740 -0.000 0.000 0.194 1125 N C 1.770 177.443 175.510 0.272 0.000 1.057 1125 N CA 1.603 54.864 53.050 0.353 0.000 0.849 1125 N CB -0.504 38.238 38.487 0.425 0.000 1.044 1125 N HN 0.553 nan 8.380 nan 0.000 0.424 1126 R N 1.116 121.757 120.500 0.235 0.000 2.159 1126 R HA -0.230 4.109 4.340 -0.000 0.000 0.252 1126 R C 1.803 178.155 176.300 0.086 0.000 1.144 1126 R CA 1.908 58.109 56.100 0.167 0.000 0.961 1126 R CB -0.153 30.254 30.300 0.180 0.000 0.877 1126 R HN 0.419 nan 8.270 nan 0.000 0.444 1127 E N -0.262 119.987 120.200 0.082 0.000 2.017 1127 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 1127 E C 1.986 178.564 176.600 -0.037 0.000 0.997 1127 E CA 1.581 57.985 56.400 0.007 0.000 0.804 1127 E CB -0.117 29.613 29.700 0.051 0.000 0.757 1127 E HN 0.192 nan 8.360 nan 0.000 0.448 1128 K N 1.067 121.392 120.400 -0.125 0.000 2.089 1128 K HA -0.209 4.110 4.320 -0.000 0.000 0.210 1128 K C 2.080 178.555 176.600 -0.208 0.000 1.048 1128 K CA 1.620 57.693 56.287 -0.356 0.000 0.926 1128 K CB -0.219 31.698 32.500 -0.971 0.000 0.714 1128 K HN 0.078 nan 8.250 nan 0.000 0.448 1129 M N -0.132 119.482 119.600 0.024 0.000 2.080 1129 M HA -0.200 4.280 4.480 -0.000 0.000 0.260 1129 M C 1.606 177.886 176.300 -0.032 0.000 1.068 1129 M CA 2.193 57.628 55.300 0.225 0.000 1.109 1129 M CB -0.221 32.567 32.600 0.312 0.000 1.342 1129 M HN 0.248 nan 8.290 nan 0.000 0.405 1130 T N -0.189 114.323 114.554 -0.069 0.000 2.821 1130 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 1130 T C 1.622 176.205 174.700 -0.195 0.000 1.046 1130 T CA 1.512 63.522 62.100 -0.150 0.000 1.139 1130 T CB -0.242 68.581 68.868 -0.075 0.000 0.871 1130 T HN 0.518 nan 8.240 nan 0.000 0.454 1131 Q N 0.261 119.993 119.800 -0.113 0.000 2.084 1131 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 1131 Q C 2.247 178.238 176.000 -0.015 0.000 0.978 1131 Q CA 1.327 57.086 55.803 -0.073 0.000 0.844 1131 Q CB -0.239 28.531 28.738 0.053 0.000 0.898 1131 Q HN 0.515 nan 8.270 nan 0.000 0.426 1132 I N -0.001 120.589 120.570 0.033 0.000 2.315 1132 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 1132 I C 2.211 178.438 176.117 0.182 0.000 1.117 1132 I CA 0.617 62.023 61.300 0.176 0.000 1.404 1132 I CB -0.152 38.039 38.000 0.318 0.000 1.071 1132 I HN 0.368 nan 8.210 nan 0.000 0.419 1133 M N -0.502 119.038 119.600 -0.100 0.000 2.229 1133 M HA -0.160 4.320 4.480 -0.000 0.000 0.264 1133 M C 2.094 178.255 176.300 -0.231 0.000 1.063 1133 M CA 1.864 56.996 55.300 -0.280 0.000 1.114 1133 M CB -0.807 31.444 32.600 -0.583 0.000 1.387 1133 M HN 0.149 nan 8.290 nan 0.000 0.420 1134 F N 0.243 120.101 119.950 -0.153 0.000 2.387 1134 F HA 0.004 4.531 4.527 -0.000 0.000 0.294 1134 F C 2.393 178.206 175.800 0.023 0.000 1.093 1134 F CA 0.638 58.544 58.000 -0.156 0.000 1.420 1134 F CB -0.205 38.452 39.000 -0.571 0.000 1.086 1134 F HN 0.114 nan 8.300 nan 0.000 0.531 1135 E N -0.219 120.123 120.200 0.238 0.000 2.021 1135 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 1135 E C 2.138 178.844 176.600 0.176 0.000 0.971 1135 E CA 1.888 58.422 56.400 0.223 0.000 0.825 1135 E CB -1.265 28.558 29.700 0.206 0.000 0.788 1135 E HN 0.275 nan 8.360 nan 0.000 0.460 1136 T N -1.572 113.102 114.554 0.200 0.000 3.227 1136 T HA 0.044 4.393 4.350 -0.000 0.000 0.257 1136 T C 0.963 175.529 174.700 -0.224 0.000 1.162 1136 T CA 0.498 62.623 62.100 0.043 0.000 1.051 1136 T CB -0.287 68.623 68.868 0.071 0.000 0.953 1136 T HN -0.026 nan 8.240 nan 0.000 0.535 1137 F N -0.025 119.979 119.950 0.090 0.000 2.925 1137 F HA 0.381 4.908 4.527 -0.000 0.000 0.359 1137 F C 0.623 176.398 175.800 -0.042 0.000 1.038 1137 F CA -1.178 56.840 58.000 0.030 0.000 1.130 1137 F CB -0.229 38.757 39.000 -0.024 0.000 1.093 1137 F HN 0.028 nan 8.300 nan 0.000 0.561 1138 N N 0.911 119.709 118.700 0.163 0.000 2.721 1138 N HA -0.161 4.579 4.740 -0.000 0.000 0.249 1138 N C -0.432 175.117 175.510 0.065 0.000 1.072 1138 N CA 0.743 53.871 53.050 0.130 0.000 0.710 1138 N CB -1.050 37.485 38.487 0.079 0.000 0.993 1138 N HN 0.119 nan 8.380 nan 0.000 0.547 1139 V N -1.777 118.121 119.914 -0.026 0.000 2.655 1139 V HA 0.182 4.302 4.120 -0.000 0.000 0.300 1139 V C -0.437 175.668 176.094 0.019 0.000 1.044 1139 V CA -0.841 61.373 62.300 -0.145 0.000 1.095 1139 V CB 0.886 32.502 31.823 -0.346 0.000 0.952 1139 V HN 0.055 nan 8.190 nan 0.000 0.485 1140 P HA 0.012 nan 4.420 nan 0.000 0.221 1140 P C 0.412 177.772 177.300 0.100 0.000 1.145 1140 P CA 2.044 65.155 63.100 0.018 0.000 0.795 1140 P CB 0.310 31.946 31.700 -0.107 0.000 0.775 1141 A N -1.222 121.633 122.820 0.058 0.000 2.549 1141 A HA 0.602 4.922 4.320 -0.000 0.000 0.297 1141 A C -0.822 176.749 177.584 -0.023 0.000 0.983 1141 A CA -0.629 51.500 52.037 0.154 0.000 0.654 1141 A CB 0.164 19.173 19.000 0.016 0.000 1.319 1141 A HN 0.131 nan 8.150 nan 0.000 0.428 1142 M N -0.341 119.370 119.600 0.185 0.000 3.213 1142 M HA 0.959 5.439 4.480 -0.000 0.000 0.278 1142 M C -1.154 175.443 176.300 0.496 0.000 1.332 1142 M CA -0.782 54.655 55.300 0.228 0.000 0.810 1142 M CB 1.993 34.497 32.600 -0.160 0.000 1.676 1142 M HN 1.515 nan 8.290 nan 0.000 0.463 1143 Y N -0.159 120.271 120.300 0.217 0.000 2.465 1143 Y HA 0.590 5.140 4.550 -0.000 0.000 0.323 1143 Y C -2.364 173.559 175.900 0.037 0.000 1.191 1143 Y CA -0.862 57.288 58.100 0.084 0.000 1.082 1143 Y CB 1.731 40.199 38.460 0.014 0.000 1.334 1143 Y HN 0.643 nan 8.280 nan 0.000 0.449 1144 V N 5.376 124.965 119.914 -0.541 0.000 2.384 1144 V HA 0.894 5.014 4.120 -0.000 0.000 0.287 1144 V C 0.016 175.844 176.094 -0.443 0.000 1.020 1144 V CA -0.130 61.973 62.300 -0.329 0.000 0.850 1144 V CB 0.908 32.604 31.823 -0.212 0.000 0.987 1144 V HN 0.879 nan 8.190 nan 0.000 0.436 1145 A N 5.361 128.163 122.820 -0.030 0.000 2.330 1145 A HA 0.883 5.203 4.320 -0.000 0.000 0.329 1145 A C -0.484 177.260 177.584 0.267 0.000 1.135 1145 A CA -0.790 51.426 52.037 0.299 0.000 0.817 1145 A CB 0.896 20.135 19.000 0.398 0.000 1.269 1145 A HN 0.777 nan 8.150 nan 0.000 0.469 1146 I N 2.013 122.779 120.570 0.327 0.000 2.352 1146 I HA 0.063 4.233 4.170 -0.000 0.000 0.290 1146 I C 1.281 177.378 176.117 -0.035 0.000 1.036 1146 I CA -0.126 61.204 61.300 0.050 0.000 1.336 1146 I CB 1.101 39.044 38.000 -0.094 0.000 1.407 1146 I HN 0.907 nan 8.210 nan 0.000 0.497 1147 Q N 4.851 124.628 119.800 -0.037 0.000 1.954 1147 Q HA -0.335 4.005 4.340 -0.000 0.000 0.215 1147 Q C 2.317 178.268 176.000 -0.082 0.000 1.026 1147 Q CA 2.687 58.464 55.803 -0.044 0.000 0.881 1147 Q CB -0.354 28.354 28.738 -0.051 0.000 0.977 1147 Q HN 0.916 nan 8.270 nan 0.000 0.416 1148 A N 0.356 123.110 122.820 -0.111 0.000 1.906 1148 A HA -0.313 4.007 4.320 -0.000 0.000 0.222 1148 A C 2.379 179.853 177.584 -0.183 0.000 1.282 1148 A CA 2.515 54.478 52.037 -0.124 0.000 0.675 1148 A CB -1.478 17.447 19.000 -0.126 0.000 0.838 1148 A HN 0.292 nan 8.150 nan 0.000 0.469 1149 V N -0.013 119.736 119.914 -0.275 0.000 2.278 1149 V HA -0.342 3.778 4.120 -0.000 0.000 0.251 1149 V C 2.588 178.413 176.094 -0.449 0.000 1.062 1149 V CA 2.344 64.366 62.300 -0.464 0.000 1.038 1149 V CB -0.794 30.641 31.823 -0.646 0.000 0.646 1149 V HN 0.594 nan 8.190 nan 0.000 0.447 1150 L N -0.264 120.830 121.223 -0.214 0.000 2.093 1150 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 1150 L C 2.517 179.367 176.870 -0.032 0.000 1.085 1150 L CA 1.609 56.416 54.840 -0.056 0.000 0.755 1150 L CB -0.661 41.400 42.059 0.003 0.000 0.904 1150 L HN 0.326 nan 8.230 nan 0.000 0.435 1151 S N 0.121 115.788 115.700 -0.055 0.000 2.442 1151 S HA -0.137 4.332 4.470 -0.000 0.000 0.236 1151 S C 1.758 176.338 174.600 -0.033 0.000 1.007 1151 S CA 0.986 59.172 58.200 -0.023 0.000 0.965 1151 S CB -0.157 63.025 63.200 -0.029 0.000 0.773 1151 S HN 0.243 nan 8.310 nan 0.000 0.504 1152 L N 0.261 121.427 121.223 -0.095 0.000 2.145 1152 L HA 0.228 4.568 4.340 -0.000 0.000 0.201 1152 L C 1.797 178.672 176.870 0.009 0.000 1.075 1152 L CA 1.403 56.188 54.840 -0.091 0.000 0.773 1152 L CB -0.751 41.191 42.059 -0.195 0.000 0.936 1152 L HN 0.292 nan 8.230 nan 0.000 0.451 1153 Y N -0.531 119.739 120.300 -0.051 0.000 2.256 1153 Y HA -0.253 4.297 4.550 -0.000 0.000 0.288 1153 Y C 2.409 178.283 175.900 -0.045 0.000 1.155 1153 Y CA 0.515 58.584 58.100 -0.053 0.000 1.203 1153 Y CB -0.206 38.208 38.460 -0.077 0.000 0.980 1153 Y HN 0.365 nan 8.280 nan 0.000 0.530 1154 A N -0.585 122.312 122.820 0.128 0.000 2.119 1154 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 1154 A C 2.154 179.771 177.584 0.055 0.000 1.152 1154 A CA 1.347 53.425 52.037 0.069 0.000 0.708 1154 A CB -0.631 18.404 19.000 0.059 0.000 0.805 1154 A HN 0.440 nan 8.150 nan 0.000 0.460 1155 S N -1.755 113.975 115.700 0.051 0.000 2.528 1155 S HA 0.386 4.856 4.470 -0.000 0.000 0.219 1155 S C 1.177 175.800 174.600 0.038 0.000 0.985 1155 S CA 0.894 59.115 58.200 0.035 0.000 0.914 1155 S CB -0.265 62.947 63.200 0.020 0.000 0.776 1155 S HN 1.890 nan 8.310 nan 0.000 0.526 1156 G N 1.148 109.982 108.800 0.056 0.000 2.325 1156 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.248 1156 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.248 1156 G C -0.217 174.718 174.900 0.059 0.000 1.108 1156 G CA -0.301 44.830 45.100 0.052 0.000 0.881 1156 G HN 0.657 nan 8.290 nan 0.000 0.494 1157 R N -1.707 118.848 120.500 0.091 0.000 2.752 1157 R HA 0.748 5.088 4.340 -0.000 0.000 0.271 1157 R C 0.671 177.057 176.300 0.144 0.000 1.026 1157 R CA -0.328 55.821 56.100 0.081 0.000 0.901 1157 R CB 1.017 31.336 30.300 0.031 0.000 1.243 1157 R HN 0.411 nan 8.270 nan 0.000 0.463 1158 T N -3.211 111.416 114.554 0.121 0.000 3.144 1158 T HA 0.240 4.590 4.350 -0.000 0.000 0.290 1158 T C -0.136 174.624 174.700 0.101 0.000 0.966 1158 T CA -0.168 62.036 62.100 0.174 0.000 0.907 1158 T CB 0.530 69.543 68.868 0.242 0.000 1.152 1158 T HN 0.443 nan 8.240 nan 0.000 0.532 1159 T N 0.729 115.293 114.554 0.017 0.000 3.172 1159 T HA 0.710 5.060 4.350 -0.000 0.000 0.320 1159 T C -0.310 174.322 174.700 -0.112 0.000 1.085 1159 T CA -0.277 61.778 62.100 -0.074 0.000 1.052 1159 T CB 1.654 70.403 68.868 -0.200 0.000 1.107 1159 T HN 0.765 nan 8.240 nan 0.000 0.458 1160 G N 1.825 110.548 108.800 -0.128 0.000 2.337 1160 G HA2 0.432 4.392 3.960 -0.000 0.000 0.298 1160 G HA3 0.432 4.392 3.960 -0.000 0.000 0.298 1160 G C -2.338 172.495 174.900 -0.112 0.000 1.335 1160 G CA -0.736 44.295 45.100 -0.115 0.000 0.875 1160 G HN 0.669 nan 8.290 nan 0.000 0.579 1161 I N 0.727 121.235 120.570 -0.102 0.000 2.441 1161 I HA 0.697 4.867 4.170 -0.000 0.000 0.295 1161 I C -0.302 175.770 176.117 -0.075 0.000 0.994 1161 I CA -0.803 60.436 61.300 -0.101 0.000 1.144 1161 I CB 1.426 39.352 38.000 -0.123 0.000 1.314 1161 I HN 0.335 nan 8.210 nan 0.000 0.445 1162 V N 7.574 127.444 119.914 -0.073 0.000 2.581 1162 V HA 0.407 4.527 4.120 -0.000 0.000 0.303 1162 V C -0.501 175.570 176.094 -0.040 0.000 1.041 1162 V CA -0.826 61.440 62.300 -0.056 0.000 0.907 1162 V CB 2.165 33.945 31.823 -0.072 0.000 0.994 1162 V HN 0.511 nan 8.190 nan 0.000 0.442 1163 L N 3.656 124.863 121.223 -0.026 0.000 2.316 1163 L HA 0.555 4.895 4.340 -0.000 0.000 0.280 1163 L C -0.371 176.495 176.870 -0.006 0.000 1.006 1163 L CA 0.219 55.049 54.840 -0.016 0.000 0.836 1163 L CB 1.186 43.235 42.059 -0.017 0.000 1.221 1163 L HN 0.652 nan 8.230 nan 0.000 0.418 1164 D N 3.104 123.510 120.400 0.010 0.000 2.505 1164 D HA 0.117 4.757 4.640 -0.000 0.000 0.242 1164 D C -0.793 175.524 176.300 0.028 0.000 1.136 1164 D CA 0.114 54.125 54.000 0.017 0.000 0.954 1164 D CB 0.962 41.775 40.800 0.022 0.000 1.002 1164 D HN 0.462 nan 8.370 nan 0.000 0.512 1165 S N 1.660 117.366 115.700 0.011 0.000 2.464 1165 S HA 0.534 5.003 4.470 -0.000 0.000 0.313 1165 S C 0.651 175.255 174.600 0.007 0.000 1.078 1165 S CA -0.636 57.572 58.200 0.013 0.000 1.096 1165 S CB 0.614 63.821 63.200 0.012 0.000 1.032 1165 S HN 0.489 nan 8.310 nan 0.000 0.498 1166 G N 2.867 111.673 108.800 0.011 0.000 3.380 1166 G HA2 0.165 4.125 3.960 -0.000 0.000 0.188 1166 G HA3 0.165 4.125 3.960 -0.000 0.000 0.188 1166 G C 0.338 175.229 174.900 -0.016 0.000 1.892 1166 G CA 0.133 45.228 45.100 -0.008 0.000 0.912 1166 G HN 0.602 nan 8.290 nan 0.000 0.609 1167 D N -1.970 118.411 120.400 -0.031 0.000 2.431 1167 D HA 0.168 4.808 4.640 -0.000 0.000 0.227 1167 D C 2.040 178.303 176.300 -0.061 0.000 1.030 1167 D CA 0.995 54.961 54.000 -0.056 0.000 0.897 1167 D CB 0.304 41.046 40.800 -0.097 0.000 1.058 1167 D HN 0.361 nan 8.370 nan 0.000 0.500 1168 G N -0.446 108.328 108.800 -0.044 0.000 3.079 1168 G HA2 0.400 4.360 3.960 -0.000 0.000 0.233 1168 G HA3 0.400 4.360 3.960 -0.000 0.000 0.233 1168 G C -0.197 174.793 174.900 0.151 0.000 1.062 1168 G CA 0.161 45.261 45.100 0.000 0.000 0.809 1168 G HN 0.153 nan 8.290 nan 0.000 0.535 1169 V N -1.678 118.293 119.914 0.095 0.000 3.204 1169 V HA 0.661 4.781 4.120 -0.000 0.000 0.298 1169 V C -0.892 175.246 176.094 0.072 0.000 1.328 1169 V CA -0.864 61.497 62.300 0.101 0.000 1.035 1169 V CB 1.663 33.606 31.823 0.200 0.000 1.095 1169 V HN -0.136 nan 8.190 nan 0.000 0.442 1170 T N 1.068 115.630 114.554 0.014 0.000 3.209 1170 T HA 0.427 4.777 4.350 -0.000 0.000 0.366 1170 T C -0.624 174.055 174.700 -0.035 0.000 1.293 1170 T CA -0.245 61.856 62.100 0.002 0.000 1.417 1170 T CB -0.307 68.537 68.868 -0.040 0.000 1.013 1170 T HN 0.794 nan 8.240 nan 0.000 0.572 1171 H N 1.739 120.785 119.070 -0.040 0.000 2.615 1171 H HA 0.379 4.935 4.556 -0.000 0.000 0.363 1171 H C 0.528 175.822 175.328 -0.058 0.000 1.148 1171 H CA 0.196 56.215 56.048 -0.047 0.000 1.401 1171 H CB 0.600 30.337 29.762 -0.041 0.000 1.461 1171 H HN 0.403 nan 8.280 nan 0.000 0.588 1172 N N 1.458 120.179 118.700 0.035 0.000 2.623 1172 N HA 0.290 5.029 4.740 -0.000 0.000 0.256 1172 N C -1.742 173.753 175.510 -0.025 0.000 1.045 1172 N CA -0.276 52.763 53.050 -0.019 0.000 0.863 1172 N CB 0.811 39.262 38.487 -0.060 0.000 1.182 1172 N HN 0.133 nan 8.380 nan 0.000 0.523 1173 V N 3.706 123.603 119.914 -0.029 0.000 2.417 1173 V HA 0.505 4.625 4.120 -0.000 0.000 0.291 1173 V C -2.353 173.689 176.094 -0.087 0.000 1.024 1173 V CA -1.837 60.429 62.300 -0.056 0.000 0.861 1173 V CB 1.644 33.432 31.823 -0.058 0.000 0.985 1173 V HN 0.504 nan 8.190 nan 0.000 0.436 1174 P HA 0.570 nan 4.420 nan 0.000 0.297 1174 P C -1.142 176.114 177.300 -0.073 0.000 1.342 1174 P CA -0.349 62.688 63.100 -0.104 0.000 0.801 1174 P CB 0.853 32.477 31.700 -0.128 0.000 0.920 1175 I N 3.739 124.266 120.570 -0.072 0.000 2.474 1175 I HA 0.412 4.581 4.170 -0.000 0.000 0.294 1175 I C -0.597 175.545 176.117 0.041 0.000 1.005 1175 I CA -0.981 60.299 61.300 -0.032 0.000 1.113 1175 I CB 1.453 39.382 38.000 -0.119 0.000 1.289 1175 I HN 0.317 nan 8.210 nan 0.000 0.436 1176 Y N 4.442 124.737 120.300 -0.008 0.000 2.331 1176 Y HA 0.320 4.869 4.550 -0.000 0.000 0.334 1176 Y C 0.145 176.084 175.900 0.066 0.000 0.960 1176 Y CA -0.844 57.262 58.100 0.010 0.000 1.130 1176 Y CB 1.172 39.628 38.460 -0.007 0.000 1.164 1176 Y HN 0.632 nan 8.280 nan 0.000 0.458 1177 E N 4.224 124.763 120.200 0.564 0.000 2.269 1177 E HA -0.251 4.099 4.350 -0.000 0.000 0.223 1177 E C 0.935 177.788 176.600 0.421 0.000 1.244 1177 E CA 1.428 58.061 56.400 0.388 0.000 0.713 1177 E CB -1.380 28.467 29.700 0.245 0.000 1.178 1177 E HN 1.176 nan 8.360 nan 0.000 0.370 1178 G N -1.142 107.835 108.800 0.294 0.000 2.184 1178 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.264 1178 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.264 1178 G C -0.188 174.721 174.900 0.016 0.000 0.975 1178 G CA 0.718 45.923 45.100 0.174 0.000 0.642 1178 G HN 0.269 nan 8.290 nan 0.000 0.536 1179 Y N 0.784 121.058 120.300 -0.044 0.000 2.393 1179 Y HA 0.734 5.284 4.550 -0.000 0.000 0.341 1179 Y C 0.622 176.470 175.900 -0.087 0.000 0.988 1179 Y CA -1.028 57.030 58.100 -0.070 0.000 1.078 1179 Y CB 1.696 40.159 38.460 0.006 0.000 1.203 1179 Y HN 0.443 nan 8.280 nan 0.000 0.453 1180 A N 3.530 126.342 122.820 -0.014 0.000 2.351 1180 A HA 0.592 4.912 4.320 -0.000 0.000 0.257 1180 A C -0.567 177.044 177.584 0.045 0.000 1.087 1180 A CA -0.567 51.448 52.037 -0.036 0.000 0.798 1180 A CB 0.204 19.141 19.000 -0.105 0.000 1.033 1180 A HN 0.831 nan 8.150 nan 0.000 0.488 1181 L N 3.469 124.699 121.223 0.012 0.000 2.360 1181 L HA 0.210 4.550 4.340 -0.000 0.000 0.265 1181 L C -1.767 175.083 176.870 -0.033 0.000 1.066 1181 L CA -1.639 53.218 54.840 0.028 0.000 0.929 1181 L CB 0.933 42.973 42.059 -0.033 0.000 1.306 1181 L HN 0.575 nan 8.230 nan 0.000 0.434 1182 P HA -0.312 nan 4.420 nan 0.000 0.216 1182 P C 1.579 178.894 177.300 0.025 0.000 0.860 1182 P CA 1.856 65.004 63.100 0.080 0.000 1.042 1182 P CB -0.131 31.651 31.700 0.137 0.000 0.716 1183 H N -0.630 118.440 119.070 0.001 0.000 2.414 1183 H HA -0.185 4.371 4.556 -0.000 0.000 0.290 1183 H C 1.040 176.356 175.328 -0.020 0.000 1.125 1183 H CA 2.029 58.072 56.048 -0.009 0.000 1.207 1183 H CB -1.581 28.174 29.762 -0.012 0.000 1.356 1183 H HN 0.169 nan 8.280 nan 0.000 0.494 1184 A N 1.636 124.019 122.820 -0.728 0.000 2.734 1184 A HA 0.437 4.757 4.320 -0.000 0.000 0.279 1184 A C 0.599 178.035 177.584 -0.246 0.000 1.386 1184 A CA -0.429 51.314 52.037 -0.490 0.000 0.987 1184 A CB -0.616 18.021 19.000 -0.605 0.000 1.041 1184 A HN 0.321 nan 8.150 nan 0.000 0.569 1185 I N 0.863 121.342 120.570 -0.152 0.000 2.441 1185 I HA 0.378 4.548 4.170 -0.000 0.000 0.295 1185 I C -0.580 175.491 176.117 -0.076 0.000 0.994 1185 I CA -0.568 60.683 61.300 -0.082 0.000 1.144 1185 I CB 1.788 39.779 38.000 -0.015 0.000 1.314 1185 I HN 0.173 nan 8.210 nan 0.000 0.445 1186 M N 6.259 125.808 119.600 -0.086 0.000 2.294 1186 M HA 0.430 4.910 4.480 -0.000 0.000 0.335 1186 M C -0.454 175.740 176.300 -0.177 0.000 1.079 1186 M CA -0.462 54.771 55.300 -0.112 0.000 0.982 1186 M CB 1.527 34.063 32.600 -0.106 0.000 1.651 1186 M HN 0.514 nan 8.290 nan 0.000 0.437 1187 R N 3.316 123.677 120.500 -0.231 0.000 2.320 1187 R HA 0.521 4.861 4.340 -0.000 0.000 0.319 1187 R C -1.717 174.411 176.300 -0.287 0.000 0.969 1187 R CA -0.689 55.163 56.100 -0.413 0.000 0.857 1187 R CB 0.927 30.963 30.300 -0.440 0.000 1.160 1187 R HN 0.607 nan 8.270 nan 0.000 0.491 1188 L N 5.024 126.091 121.223 -0.259 0.000 2.264 1188 L HA 0.286 4.625 4.340 -0.000 0.000 0.287 1188 L C -0.473 176.296 176.870 -0.168 0.000 1.039 1188 L CA -0.071 54.663 54.840 -0.177 0.000 0.829 1188 L CB 1.225 43.204 42.059 -0.134 0.000 1.211 1188 L HN 0.592 nan 8.230 nan 0.000 0.427 1189 D N 5.234 125.521 120.400 -0.187 0.000 2.826 1189 D HA 0.128 4.768 4.640 -0.000 0.000 0.229 1189 D C -0.700 175.532 176.300 -0.113 0.000 1.091 1189 D CA 0.473 54.340 54.000 -0.223 0.000 1.061 1189 D CB -0.262 40.331 40.800 -0.345 0.000 1.155 1189 D HN 0.333 nan 8.370 nan 0.000 0.450 1190 L N -0.162 121.024 121.223 -0.062 0.000 2.543 1190 L HA 0.644 4.984 4.340 -0.000 0.000 0.265 1190 L C -1.496 175.369 176.870 -0.009 0.000 0.945 1190 L CA -0.505 54.318 54.840 -0.028 0.000 0.869 1190 L CB 1.668 43.696 42.059 -0.052 0.000 1.294 1190 L HN -0.005 nan 8.230 nan 0.000 0.405 1191 A N 3.135 125.965 122.820 0.016 0.000 3.136 1191 A HA 0.770 5.089 4.320 -0.000 0.000 0.299 1191 A C 0.837 178.442 177.584 0.034 0.000 1.197 1191 A CA -0.035 52.015 52.037 0.023 0.000 0.640 1191 A CB -0.157 18.857 19.000 0.022 0.000 1.440 1191 A HN 1.152 nan 8.150 nan 0.000 0.614 1192 G N -0.209 108.610 108.800 0.031 0.000 2.545 1192 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 1192 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 1192 G C 1.492 176.410 174.900 0.031 0.000 1.218 1192 G CA 1.600 46.725 45.100 0.041 0.000 0.787 1192 G HN 0.842 nan 8.290 nan 0.000 0.571 1193 R N 0.307 120.801 120.500 -0.010 0.000 2.140 1193 R HA -0.165 4.175 4.340 -0.000 0.000 0.250 1193 R C 2.204 178.517 176.300 0.023 0.000 1.150 1193 R CA 2.177 58.266 56.100 -0.020 0.000 0.966 1193 R CB -0.375 29.870 30.300 -0.092 0.000 0.869 1193 R HN 0.373 nan 8.270 nan 0.000 0.445 1194 D N 0.132 120.552 120.400 0.032 0.000 2.078 1194 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 1194 D C 1.949 178.302 176.300 0.088 0.000 0.990 1194 D CA 1.145 55.178 54.000 0.054 0.000 0.827 1194 D CB -0.196 40.625 40.800 0.035 0.000 0.975 1194 D HN 0.151 nan 8.370 nan 0.000 0.451 1195 L N 1.120 122.393 121.223 0.084 0.000 2.129 1195 L HA -0.171 4.168 4.340 -0.000 0.000 0.212 1195 L C 2.530 179.489 176.870 0.148 0.000 1.087 1195 L CA 1.497 56.411 54.840 0.123 0.000 0.757 1195 L CB -1.071 41.068 42.059 0.133 0.000 0.896 1195 L HN 0.021 nan 8.230 nan 0.000 0.434 1196 T N -1.291 113.328 114.554 0.107 0.000 2.698 1196 T HA -0.149 4.201 4.350 -0.000 0.000 0.260 1196 T C 1.514 176.273 174.700 0.098 0.000 1.044 1196 T CA 1.310 63.462 62.100 0.087 0.000 1.149 1196 T CB -0.227 68.674 68.868 0.055 0.000 0.864 1196 T HN 0.324 nan 8.240 nan 0.000 0.419 1197 D N 0.074 120.535 120.400 0.102 0.000 2.172 1197 D HA -0.135 4.505 4.640 -0.000 0.000 0.196 1197 D C 1.731 178.118 176.300 0.144 0.000 0.999 1197 D CA 1.247 55.313 54.000 0.110 0.000 0.856 1197 D CB -0.272 40.591 40.800 0.105 0.000 0.934 1197 D HN 0.401 nan 8.370 nan 0.000 0.453 1198 Y N 1.349 121.672 120.300 0.037 0.000 2.109 1198 Y HA -0.156 4.394 4.550 -0.000 0.000 0.285 1198 Y C 2.184 178.100 175.900 0.028 0.000 1.131 1198 Y CA 0.901 59.023 58.100 0.037 0.000 1.121 1198 Y CB -0.680 37.797 38.460 0.028 0.000 0.987 1198 Y HN -0.076 nan 8.280 nan 0.000 0.495 1199 L N 0.386 121.590 121.223 -0.032 0.000 2.263 1199 L HA -0.214 4.126 4.340 -0.000 0.000 0.216 1199 L C 2.210 179.016 176.870 -0.107 0.000 1.111 1199 L CA 2.015 56.777 54.840 -0.130 0.000 0.773 1199 L CB -0.786 41.263 42.059 -0.018 0.000 0.906 1199 L HN 0.500 nan 8.230 nan 0.000 0.439 1200 M N -1.446 118.134 119.600 -0.033 0.000 2.388 1200 M HA -0.129 4.351 4.480 -0.000 0.000 0.265 1200 M C 2.201 178.491 176.300 -0.017 0.000 1.088 1200 M CA 1.342 56.658 55.300 0.027 0.000 1.134 1200 M CB -0.008 32.641 32.600 0.080 0.000 1.384 1200 M HN 0.313 nan 8.290 nan 0.000 0.447 1201 K N 1.052 121.406 120.400 -0.077 0.000 2.098 1201 K HA -0.054 4.266 4.320 -0.000 0.000 0.203 1201 K C 1.603 178.121 176.600 -0.137 0.000 1.051 1201 K CA 1.263 57.503 56.287 -0.077 0.000 0.957 1201 K CB -0.280 32.196 32.500 -0.040 0.000 0.738 1201 K HN 0.587 nan 8.250 nan 0.000 0.447 1202 I N -0.682 119.718 120.570 -0.283 0.000 3.550 1202 I HA -0.017 4.152 4.170 -0.000 0.000 0.295 1202 I C 0.868 176.905 176.117 -0.134 0.000 1.291 1202 I CA 0.235 61.396 61.300 -0.231 0.000 1.298 1202 I CB 0.117 37.901 38.000 -0.359 0.000 1.026 1202 I HN 0.021 nan 8.210 nan 0.000 0.491 1203 L N 1.126 122.283 121.223 -0.110 0.000 2.463 1203 L HA 0.074 4.414 4.340 -0.000 0.000 0.219 1203 L C 2.445 179.331 176.870 0.026 0.000 1.088 1203 L CA 1.622 56.420 54.840 -0.070 0.000 0.849 1203 L CB -0.255 41.710 42.059 -0.157 0.000 1.012 1203 L HN 0.472 nan 8.230 nan 0.000 0.468 1204 T N -4.733 109.815 114.554 -0.010 0.000 3.107 1204 T HA -0.001 4.349 4.350 -0.000 0.000 0.249 1204 T C 1.428 176.124 174.700 -0.007 0.000 1.096 1204 T CA 0.371 62.474 62.100 0.005 0.000 1.012 1204 T CB 0.049 68.913 68.868 -0.007 0.000 0.977 1204 T HN 0.318 nan 8.240 nan 0.000 0.527 1205 E N 1.250 121.444 120.200 -0.011 0.000 2.276 1205 E HA 0.093 4.443 4.350 -0.000 0.000 0.193 1205 E C 1.912 178.504 176.600 -0.012 0.000 0.983 1205 E CA -0.062 56.329 56.400 -0.015 0.000 0.861 1205 E CB 0.210 29.897 29.700 -0.022 0.000 0.817 1205 E HN 0.448 nan 8.360 nan 0.000 0.485 1206 R N 0.170 120.677 120.500 0.011 0.000 2.721 1206 R HA 0.149 4.489 4.340 -0.000 0.000 0.296 1206 R C -0.243 176.026 176.300 -0.052 0.000 1.174 1206 R CA 0.618 56.727 56.100 0.015 0.000 1.129 1206 R CB -0.202 30.144 30.300 0.076 0.000 1.316 1206 R HN 0.143 nan 8.270 nan 0.000 0.571 1207 G N 1.416 110.161 108.800 -0.091 0.000 2.402 1207 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.241 1207 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.241 1207 G C -1.155 173.501 174.900 -0.407 0.000 0.871 1207 G CA 0.283 45.258 45.100 -0.210 0.000 1.232 1207 G HN 0.419 nan 8.290 nan 0.000 0.369 1208 Y N 0.129 120.331 120.300 -0.163 0.000 2.982 1208 Y HA 0.686 5.236 4.550 -0.000 0.000 0.312 1208 Y C 0.860 176.603 175.900 -0.262 0.000 1.601 1208 Y CA -0.038 57.904 58.100 -0.263 0.000 1.092 1208 Y CB 0.617 38.842 38.460 -0.393 0.000 1.918 1208 Y HN 0.927 nan 8.280 nan 0.000 0.425 1209 S N -0.763 114.831 115.700 -0.176 0.000 3.986 1209 S HA 0.740 5.210 4.470 -0.000 0.000 0.228 1209 S C -1.104 173.459 174.600 -0.061 0.000 1.044 1209 S CA -0.732 57.401 58.200 -0.111 0.000 1.556 1209 S CB 1.047 64.261 63.200 0.023 0.000 1.056 1209 S HN 0.657 nan 8.310 nan 0.000 0.715 1210 F N -0.489 119.486 119.950 0.041 0.000 2.145 1210 F HA -0.110 4.417 4.527 -0.000 0.000 0.508 1210 F C 0.216 176.027 175.800 0.019 0.000 1.275 1210 F CA 0.057 58.068 58.000 0.019 0.000 1.633 1210 F CB -0.998 38.000 39.000 -0.003 0.000 2.610 1210 F HN 0.565 nan 8.300 nan 0.000 0.724 1211 V N 1.027 121.056 119.914 0.192 0.000 3.142 1211 V HA -0.011 4.108 4.120 -0.000 0.000 0.250 1211 V C 0.697 176.832 176.094 0.068 0.000 1.774 1211 V CA 1.148 63.516 62.300 0.112 0.000 1.003 1211 V CB 0.743 32.623 31.823 0.095 0.000 0.935 1211 V HN 0.958 nan 8.190 nan 0.000 0.371 1212 T N 0.202 114.788 114.554 0.053 0.000 2.930 1212 T HA 0.149 4.499 4.350 -0.000 0.000 0.306 1212 T C 1.570 176.272 174.700 0.005 0.000 1.045 1212 T CA 0.802 62.916 62.100 0.023 0.000 1.134 1212 T CB 1.088 69.963 68.868 0.011 0.000 0.961 1212 T HN 0.821 nan 8.240 nan 0.000 0.545 1213 T N 0.506 115.061 114.554 0.002 0.000 2.869 1213 T HA -0.144 4.206 4.350 -0.000 0.000 0.270 1213 T C 2.038 176.725 174.700 -0.022 0.000 1.082 1213 T CA 1.073 63.172 62.100 -0.002 0.000 1.123 1213 T CB -0.692 68.169 68.868 -0.011 0.000 0.856 1213 T HN 0.881 nan 8.240 nan 0.000 0.499 1214 A N 1.188 123.986 122.820 -0.037 0.000 2.123 1214 A HA 0.166 4.485 4.320 -0.000 0.000 0.214 1214 A C 2.171 179.697 177.584 -0.097 0.000 1.152 1214 A CA 0.714 52.716 52.037 -0.058 0.000 0.728 1214 A CB -0.206 18.761 19.000 -0.055 0.000 0.814 1214 A HN 0.670 nan 8.150 nan 0.000 0.464 1215 E N -0.721 119.412 120.200 -0.112 0.000 2.318 1215 E HA -0.006 4.343 4.350 -0.000 0.000 0.193 1215 E C 2.084 178.563 176.600 -0.203 0.000 0.998 1215 E CA 0.033 56.291 56.400 -0.237 0.000 0.859 1215 E CB -0.028 29.550 29.700 -0.203 0.000 0.812 1215 E HN 0.521 nan 8.360 nan 0.000 0.492 1216 R N 1.366 121.820 120.500 -0.078 0.000 2.073 1216 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 1216 R C 1.955 178.232 176.300 -0.039 0.000 1.134 1216 R CA 1.392 57.476 56.100 -0.026 0.000 0.952 1216 R CB 0.047 30.356 30.300 0.015 0.000 0.850 1216 R HN -0.046 nan 8.270 nan 0.000 0.433 1217 E N 0.356 120.529 120.200 -0.045 0.000 2.267 1217 E HA -0.133 4.216 4.350 -0.000 0.000 0.197 1217 E C 1.607 178.175 176.600 -0.053 0.000 0.998 1217 E CA 1.050 57.428 56.400 -0.035 0.000 0.830 1217 E CB -0.014 29.666 29.700 -0.032 0.000 0.751 1217 E HN 0.439 nan 8.360 nan 0.000 0.491 1218 I N -1.174 119.334 120.570 -0.104 0.000 2.585 1218 I HA -0.133 4.037 4.170 -0.000 0.000 0.254 1218 I C 1.772 177.849 176.117 -0.067 0.000 1.129 1218 I CA 0.223 61.468 61.300 -0.092 0.000 1.455 1218 I CB 0.144 38.032 38.000 -0.188 0.000 1.111 1218 I HN -0.018 nan 8.210 nan 0.000 0.433 1219 V N 1.154 121.017 119.914 -0.085 0.000 2.407 1219 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 1219 V C 2.581 178.666 176.094 -0.016 0.000 1.055 1219 V CA 1.781 64.075 62.300 -0.010 0.000 1.049 1219 V CB -0.916 30.931 31.823 0.040 0.000 0.662 1219 V HN 0.445 nan 8.190 nan 0.000 0.455 1220 R N 0.289 120.778 120.500 -0.019 0.000 2.096 1220 R HA -0.229 4.111 4.340 -0.000 0.000 0.235 1220 R C 2.109 178.382 176.300 -0.046 0.000 1.127 1220 R CA 2.088 58.178 56.100 -0.016 0.000 0.968 1220 R CB -0.429 29.866 30.300 -0.009 0.000 0.861 1220 R HN 0.532 nan 8.270 nan 0.000 0.440 1221 D N 0.471 120.834 120.400 -0.062 0.000 2.144 1221 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 1221 D C 1.939 178.111 176.300 -0.214 0.000 0.978 1221 D CA 1.037 54.973 54.000 -0.108 0.000 0.833 1221 D CB -0.051 40.712 40.800 -0.062 0.000 0.961 1221 D HN 0.332 nan 8.370 nan 0.000 0.470 1222 I N 0.323 120.773 120.570 -0.200 0.000 2.361 1222 I HA -0.206 3.964 4.170 -0.000 0.000 0.251 1222 I C 2.537 178.564 176.117 -0.150 0.000 1.133 1222 I CA 0.724 61.870 61.300 -0.256 0.000 1.413 1222 I CB -0.231 37.709 38.000 -0.098 0.000 1.073 1222 I HN 0.033 nan 8.210 nan 0.000 0.424 1223 K N 1.769 122.128 120.400 -0.068 0.000 1.965 1223 K HA -0.215 4.105 4.320 -0.000 0.000 0.214 1223 K C 1.749 178.357 176.600 0.013 0.000 1.046 1223 K CA 1.911 58.205 56.287 0.012 0.000 0.944 1223 K CB -0.267 32.266 32.500 0.055 0.000 0.726 1223 K HN 0.357 nan 8.250 nan 0.000 0.441 1224 E N 0.401 120.572 120.200 -0.048 0.000 2.331 1224 E HA -0.165 4.185 4.350 -0.000 0.000 0.199 1224 E C 1.931 178.473 176.600 -0.096 0.000 1.008 1224 E CA 0.777 57.120 56.400 -0.095 0.000 0.843 1224 E CB 0.130 29.761 29.700 -0.116 0.000 0.761 1224 E HN 0.262 nan 8.360 nan 0.000 0.507 1225 K N 0.147 120.469 120.400 -0.130 0.000 2.063 1225 K HA 0.034 4.354 4.320 -0.000 0.000 0.204 1225 K C 2.059 178.600 176.600 -0.098 0.000 1.039 1225 K CA 0.495 56.692 56.287 -0.151 0.000 0.957 1225 K CB -0.073 32.247 32.500 -0.300 0.000 0.764 1225 K HN 0.090 nan 8.250 nan 0.000 0.447 1226 L N 1.235 122.392 121.223 -0.111 0.000 2.185 1226 L HA 0.079 4.419 4.340 -0.000 0.000 0.198 1226 L C 1.244 178.073 176.870 -0.068 0.000 1.079 1226 L CA 0.388 55.172 54.840 -0.094 0.000 0.780 1226 L CB -1.149 40.831 42.059 -0.132 0.000 0.955 1226 L HN 0.093 nan 8.230 nan 0.000 0.462 1227 C N 1.199 120.475 119.300 -0.040 0.000 2.401 1227 C HA -0.070 4.389 4.460 -0.000 0.000 0.386 1227 C C 0.467 175.581 174.990 0.206 0.000 1.411 1227 C CA 0.148 59.178 59.018 0.022 0.000 1.575 1227 C CB -2.020 25.810 27.740 0.150 0.000 2.564 1227 C HN 0.572 nan 8.230 nan 0.000 0.580 1228 Y N -1.821 118.546 120.300 0.111 0.000 2.725 1228 Y HA 0.690 5.239 4.550 -0.000 0.000 0.333 1228 Y C -1.302 174.612 175.900 0.024 0.000 1.242 1228 Y CA -1.531 56.644 58.100 0.124 0.000 1.059 1228 Y CB 1.077 39.607 38.460 0.117 0.000 1.306 1228 Y HN 0.224 nan 8.280 nan 0.000 0.454 1229 V N 2.392 122.405 119.914 0.166 0.000 2.350 1229 V HA 0.673 4.793 4.120 -0.000 0.000 0.285 1229 V C 0.120 176.040 176.094 -0.290 0.000 1.014 1229 V CA -0.421 61.847 62.300 -0.052 0.000 0.831 1229 V CB 0.821 32.594 31.823 -0.084 0.000 1.000 1229 V HN 0.874 nan 8.190 nan 0.000 0.433 1230 A N 4.480 127.094 122.820 -0.345 0.000 2.316 1230 A HA 0.687 5.006 4.320 -0.000 0.000 0.284 1230 A C 0.731 178.105 177.584 -0.350 0.000 1.115 1230 A CA -0.371 51.383 52.037 -0.472 0.000 0.812 1230 A CB 0.593 19.269 19.000 -0.541 0.000 1.064 1230 A HN 0.704 nan 8.150 nan 0.000 0.489 1231 L N 1.010 122.053 121.223 -0.300 0.000 1.899 1231 L HA -0.078 4.262 4.340 -0.000 0.000 0.223 1231 L C 1.156 177.895 176.870 -0.218 0.000 1.088 1231 L CA 2.005 56.702 54.840 -0.238 0.000 0.788 1231 L CB -0.750 41.202 42.059 -0.178 0.000 0.889 1231 L HN 0.814 nan 8.230 nan 0.000 0.431 1232 D N -1.221 119.074 120.400 -0.175 0.000 2.317 1232 D HA 0.016 4.656 4.640 -0.000 0.000 0.252 1232 D C 0.877 177.106 176.300 -0.118 0.000 1.174 1232 D CA -0.081 53.846 54.000 -0.122 0.000 0.866 1232 D CB 0.657 41.395 40.800 -0.102 0.000 1.127 1232 D HN 0.113 nan 8.370 nan 0.000 0.467 1233 F N 3.326 123.145 119.950 -0.219 0.000 2.075 1233 F HA -0.035 4.492 4.527 -0.000 0.000 0.297 1233 F C 1.521 177.229 175.800 -0.153 0.000 1.113 1233 F CA 1.398 59.273 58.000 -0.208 0.000 1.218 1233 F CB 0.070 39.014 39.000 -0.094 0.000 0.984 1233 F HN 0.504 nan 8.300 nan 0.000 0.472 1234 E N -0.272 119.820 120.200 -0.180 0.000 2.320 1234 E HA -0.053 4.297 4.350 -0.000 0.000 0.189 1234 E C 0.508 176.996 176.600 -0.186 0.000 1.100 1234 E CA 0.059 56.312 56.400 -0.245 0.000 1.009 1234 E CB -0.431 29.220 29.700 -0.082 0.000 1.145 1234 E HN 0.442 nan 8.360 nan 0.000 0.454 1235 N N -0.017 118.556 118.700 -0.211 0.000 2.193 1235 N HA -0.037 4.703 4.740 -0.000 0.000 0.210 1235 N C 1.283 176.677 175.510 -0.193 0.000 1.215 1235 N CA 0.226 53.179 53.050 -0.161 0.000 0.901 1235 N CB 0.634 39.042 38.487 -0.132 0.000 1.060 1235 N HN -0.028 nan 8.380 nan 0.000 0.508 1236 E N -0.542 119.474 120.200 -0.307 0.000 2.256 1236 E HA 0.183 4.532 4.350 -0.000 0.000 0.198 1236 E C 1.549 177.997 176.600 -0.254 0.000 0.908 1236 E CA 0.491 56.684 56.400 -0.344 0.000 0.915 1236 E CB 0.051 29.347 29.700 -0.674 0.000 0.890 1236 E HN 0.081 nan 8.360 nan 0.000 0.484 1237 M N 0.654 120.038 119.600 -0.361 0.000 2.144 1237 M HA -0.137 4.343 4.480 -0.000 0.000 0.260 1237 M C 2.125 178.385 176.300 -0.066 0.000 1.067 1237 M CA 1.647 56.859 55.300 -0.148 0.000 1.095 1237 M CB -0.942 31.410 32.600 -0.412 0.000 1.365 1237 M HN 0.291 nan 8.290 nan 0.000 0.406 1238 A N -0.289 122.466 122.820 -0.108 0.000 1.832 1238 A HA -0.145 4.175 4.320 -0.000 0.000 0.214 1238 A C 2.122 179.690 177.584 -0.026 0.000 1.200 1238 A CA 2.318 54.319 52.037 -0.060 0.000 0.610 1238 A CB -1.298 17.660 19.000 -0.069 0.000 0.842 1238 A HN 0.466 nan 8.150 nan 0.000 0.444 1239 T N 0.626 115.162 114.554 -0.030 0.000 2.896 1239 T HA -0.104 4.245 4.350 -0.000 0.000 0.270 1239 T C 1.923 176.644 174.700 0.037 0.000 1.104 1239 T CA 1.394 63.494 62.100 -0.000 0.000 1.115 1239 T CB -0.432 68.433 68.868 -0.004 0.000 0.843 1239 T HN 0.616 nan 8.240 nan 0.000 0.523 1240 A N 1.213 124.070 122.820 0.062 0.000 1.873 1240 A HA 0.267 4.586 4.320 -0.000 0.000 0.215 1240 A C 2.641 180.251 177.584 0.043 0.000 1.186 1240 A CA 1.535 53.625 52.037 0.088 0.000 0.616 1240 A CB -0.978 18.107 19.000 0.142 0.000 0.823 1240 A HN 0.517 nan 8.150 nan 0.000 0.442 1241 A N -0.774 122.061 122.820 0.026 0.000 1.968 1241 A HA 0.089 4.408 4.320 -0.000 0.000 0.217 1241 A C 2.321 179.911 177.584 0.009 0.000 1.169 1241 A CA 1.710 53.755 52.037 0.013 0.000 0.638 1241 A CB -0.580 18.423 19.000 0.006 0.000 0.812 1241 A HN 0.439 nan 8.150 nan 0.000 0.446 1242 S N -0.193 115.512 115.700 0.008 0.000 2.359 1242 S HA 0.042 4.512 4.470 -0.000 0.000 0.186 1242 S C 1.508 176.114 174.600 0.010 0.000 1.163 1242 S CA 0.682 58.885 58.200 0.005 0.000 1.479 1242 S CB -0.444 62.757 63.200 0.000 0.000 0.880 1242 S HN 0.550 nan 8.310 nan 0.000 0.395 1243 S N 0.406 116.114 115.700 0.013 0.000 2.502 1243 S HA 0.285 4.755 4.470 -0.000 0.000 0.251 1243 S C 1.116 175.729 174.600 0.023 0.000 1.254 1243 S CA -0.186 58.024 58.200 0.017 0.000 0.989 1243 S CB 0.488 63.699 63.200 0.019 0.000 1.015 1243 S HN 0.453 nan 8.310 nan 0.000 0.529 1244 S N -0.486 115.229 115.700 0.025 0.000 2.760 1244 S HA 0.078 4.548 4.470 -0.000 0.000 0.263 1244 S C 0.158 174.777 174.600 0.031 0.000 1.007 1244 S CA -0.049 58.167 58.200 0.026 0.000 1.358 1244 S CB -0.192 63.018 63.200 0.017 0.000 1.228 1244 S HN 0.624 nan 8.310 nan 0.000 0.684 1245 S N 3.495 119.216 115.700 0.035 0.000 4.175 1245 S HA 0.326 4.796 4.470 -0.000 0.000 0.193 1245 S C 0.707 175.345 174.600 0.062 0.000 1.373 1245 S CA -0.485 57.739 58.200 0.040 0.000 0.908 1245 S CB -0.186 63.035 63.200 0.035 0.000 1.547 1245 S HN 0.572 nan 8.310 nan 0.000 0.440 1246 L N -1.499 119.761 121.223 0.062 0.000 3.515 1246 L HA 0.525 4.865 4.340 -0.000 0.000 0.322 1246 L C 0.093 176.974 176.870 0.019 0.000 1.225 1246 L CA -0.117 54.780 54.840 0.095 0.000 1.104 1246 L CB -1.281 40.870 42.059 0.154 0.000 1.506 1246 L HN 0.566 nan 8.230 nan 0.000 0.624 1247 E N 1.137 121.335 120.200 -0.004 0.000 2.249 1247 E HA 0.653 5.003 4.350 -0.000 0.000 0.170 1247 E C -1.133 175.456 176.600 -0.017 0.000 0.969 1247 E CA -0.464 55.908 56.400 -0.045 0.000 0.844 1247 E CB 1.855 31.518 29.700 -0.063 0.000 2.113 1247 E HN 0.005 nan 8.360 nan 0.000 0.438 1248 K N -1.245 119.145 120.400 -0.016 0.000 2.889 1248 K HA 0.486 4.806 4.320 -0.000 0.000 0.290 1248 K C -1.831 174.782 176.600 0.022 0.000 1.035 1248 K CA -0.148 56.144 56.287 0.009 0.000 0.776 1248 K CB 1.275 33.783 32.500 0.013 0.000 1.457 1248 K HN 0.466 nan 8.250 nan 0.000 0.363 1249 S N -0.318 115.411 115.700 0.048 0.000 2.566 1249 S HA 0.683 5.153 4.470 -0.000 0.000 0.298 1249 S C -1.904 172.781 174.600 0.141 0.000 1.083 1249 S CA -0.478 57.767 58.200 0.075 0.000 0.978 1249 S CB 0.586 63.818 63.200 0.053 0.000 1.073 1249 S HN 0.454 nan 8.310 nan 0.000 0.491 1250 Y N 2.460 122.755 120.300 -0.009 0.000 2.350 1250 Y HA 0.462 5.011 4.550 -0.000 0.000 0.338 1250 Y C -0.397 175.504 175.900 0.002 0.000 0.961 1250 Y CA -1.062 57.033 58.100 -0.008 0.000 1.100 1250 Y CB 1.373 39.823 38.460 -0.017 0.000 1.179 1250 Y HN 0.741 nan 8.280 nan 0.000 0.454 1251 E N 8.177 128.140 120.200 -0.395 0.000 1.963 1251 E HA 0.291 4.641 4.350 -0.000 0.000 0.274 1251 E C -0.506 175.696 176.600 -0.663 0.000 1.061 1251 E CA -0.460 55.704 56.400 -0.395 0.000 0.847 1251 E CB 0.103 29.692 29.700 -0.186 0.000 1.083 1251 E HN 0.780 nan 8.360 nan 0.000 0.402 1252 L N 2.185 123.058 121.223 -0.583 0.000 2.464 1252 L HA 0.422 4.761 4.340 -0.000 0.000 0.224 1252 L C -1.691 175.039 176.870 -0.232 0.000 1.219 1252 L CA -1.290 53.277 54.840 -0.455 0.000 0.831 1252 L CB -0.435 41.482 42.059 -0.235 0.000 1.284 1252 L HN 0.235 nan 8.230 nan 0.000 0.522 1253 P HA -0.159 nan 4.420 nan 0.000 0.216 1253 P C 1.085 178.346 177.300 -0.066 0.000 1.153 1253 P CA 1.307 64.353 63.100 -0.090 0.000 0.848 1253 P CB -0.075 31.583 31.700 -0.069 0.000 0.787 1254 D N -0.807 119.562 120.400 -0.052 0.000 2.280 1254 D HA -0.197 4.442 4.640 -0.000 0.000 0.206 1254 D C 1.630 177.915 176.300 -0.026 0.000 0.988 1254 D CA 1.919 55.907 54.000 -0.020 0.000 0.886 1254 D CB -0.564 40.246 40.800 0.016 0.000 0.914 1254 D HN 0.230 nan 8.370 nan 0.000 0.473 1255 G N 0.545 109.314 108.800 -0.052 0.000 2.268 1255 G HA2 -0.364 3.595 3.960 -0.000 0.000 0.240 1255 G HA3 -0.364 3.595 3.960 -0.000 0.000 0.240 1255 G C 0.445 175.321 174.900 -0.040 0.000 1.010 1255 G CA 0.695 45.766 45.100 -0.049 0.000 0.618 1255 G HN 0.613 nan 8.290 nan 0.000 0.516 1256 Q N 0.360 120.148 119.800 -0.019 0.000 3.026 1256 Q HA 0.455 4.795 4.340 -0.000 0.000 0.195 1256 Q C 0.460 176.455 176.000 -0.008 0.000 1.160 1256 Q CA 0.834 56.640 55.803 0.004 0.000 1.225 1256 Q CB 0.682 29.445 28.738 0.041 0.000 1.328 1256 Q HN 1.247 nan 8.270 nan 0.000 0.696 1257 V N -1.318 118.610 119.914 0.024 0.000 2.851 1257 V HA 0.661 4.781 4.120 -0.000 0.000 0.307 1257 V C -0.905 175.234 176.094 0.075 0.000 1.129 1257 V CA -0.845 61.470 62.300 0.024 0.000 0.932 1257 V CB 1.521 33.353 31.823 0.015 0.000 1.024 1257 V HN 0.724 nan 8.190 nan 0.000 0.426 1258 I N 2.145 122.757 120.570 0.071 0.000 2.785 1258 I HA 0.772 4.942 4.170 -0.000 0.000 0.302 1258 I C -0.287 175.870 176.117 0.066 0.000 1.069 1258 I CA -0.496 60.859 61.300 0.092 0.000 1.045 1258 I CB 2.877 40.848 38.000 -0.048 0.000 1.236 1258 I HN 0.757 nan 8.210 nan 0.000 0.429 1259 T N 5.105 119.703 114.554 0.072 0.000 2.881 1259 T HA 0.634 4.983 4.350 -0.000 0.000 0.290 1259 T C -0.743 173.965 174.700 0.012 0.000 1.000 1259 T CA -0.342 61.780 62.100 0.036 0.000 0.978 1259 T CB 1.562 70.452 68.868 0.037 0.000 0.997 1259 T HN 0.325 nan 8.240 nan 0.000 0.443 1260 I N 1.000 121.549 120.570 -0.034 0.000 2.420 1260 I HA 0.683 4.853 4.170 -0.000 0.000 0.282 1260 I C 0.495 176.541 176.117 -0.118 0.000 1.019 1260 I CA -0.988 60.266 61.300 -0.077 0.000 1.130 1260 I CB 0.983 38.913 38.000 -0.117 0.000 1.262 1260 I HN 0.665 nan 8.210 nan 0.000 0.454 1261 G N 3.282 112.022 108.800 -0.101 0.000 2.502 1261 G HA2 0.444 4.404 3.960 -0.000 0.000 0.305 1261 G HA3 0.444 4.404 3.960 -0.000 0.000 0.305 1261 G C 0.376 175.145 174.900 -0.220 0.000 1.190 1261 G CA 0.164 45.192 45.100 -0.119 0.000 0.933 1261 G HN 0.907 nan 8.290 nan 0.000 0.503 1262 N N -0.364 118.145 118.700 -0.319 0.000 3.662 1262 N HA -0.349 4.391 4.740 -0.000 0.000 0.214 1262 N C 1.501 176.473 175.510 -0.895 0.000 0.173 1262 N CA 2.839 55.521 53.050 -0.613 0.000 3.089 1262 N CB -1.389 36.967 38.487 -0.218 0.000 1.212 1262 N HN 0.573 nan 8.380 nan 0.000 0.333 1263 E N 0.255 120.185 120.200 -0.450 0.000 2.324 1263 E HA -0.229 4.121 4.350 -0.000 0.000 0.205 1263 E C 1.942 178.307 176.600 -0.392 0.000 1.031 1263 E CA 1.716 57.905 56.400 -0.353 0.000 0.836 1263 E CB -0.200 29.366 29.700 -0.223 0.000 0.742 1263 E HN 0.523 nan 8.360 nan 0.000 0.491 1264 R N -0.513 119.685 120.500 -0.503 0.000 2.080 1264 R HA -0.159 4.181 4.340 -0.000 0.000 0.236 1264 R C 2.210 178.331 176.300 -0.298 0.000 1.137 1264 R CA 1.941 57.786 56.100 -0.425 0.000 0.943 1264 R CB -0.402 29.562 30.300 -0.560 0.000 0.846 1264 R HN 0.400 nan 8.270 nan 0.000 0.431 1265 F N -0.920 118.997 119.950 -0.055 0.000 2.505 1265 F HA 0.281 4.808 4.527 -0.000 0.000 0.289 1265 F C 1.988 177.804 175.800 0.028 0.000 1.101 1265 F CA -0.228 57.836 58.000 0.107 0.000 1.446 1265 F CB -0.659 38.577 39.000 0.393 0.000 1.123 1265 F HN -0.287 nan 8.300 nan 0.000 0.564 1266 R N 0.516 120.961 120.500 -0.093 0.000 2.316 1266 R HA -0.200 4.140 4.340 -0.000 0.000 0.232 1266 R C 2.010 178.242 176.300 -0.113 0.000 1.137 1266 R CA 1.361 57.480 56.100 0.031 0.000 1.012 1266 R CB -0.820 29.475 30.300 -0.008 0.000 0.859 1266 R HN 0.618 nan 8.270 nan 0.000 0.474 1267 C N 0.337 119.600 119.300 -0.062 0.000 2.631 1267 C HA 0.158 4.618 4.460 -0.000 0.000 0.283 1267 C C -0.706 174.221 174.990 -0.104 0.000 1.295 1267 C CA 0.128 59.163 59.018 0.029 0.000 1.697 1267 C CB -0.506 27.238 27.740 0.007 0.000 2.128 1267 C HN 0.358 nan 8.230 nan 0.000 0.503 1268 P HA -0.100 nan 4.420 nan 0.000 0.230 1268 P C 0.945 178.146 177.300 -0.165 0.000 1.158 1268 P CA 1.476 64.374 63.100 -0.336 0.000 0.769 1268 P CB -0.347 30.866 31.700 -0.811 0.000 0.807 1269 E N 0.632 120.701 120.200 -0.218 0.000 2.463 1269 E HA -0.111 4.239 4.350 -0.000 0.000 0.201 1269 E C 1.296 177.764 176.600 -0.221 0.000 1.045 1269 E CA 1.246 57.471 56.400 -0.293 0.000 0.872 1269 E CB -1.162 28.164 29.700 -0.624 0.000 0.797 1269 E HN 0.185 nan 8.360 nan 0.000 0.538 1270 T N 0.138 114.542 114.554 -0.249 0.000 3.023 1270 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 1270 T C 1.681 176.342 174.700 -0.064 0.000 1.093 1270 T CA 0.591 62.582 62.100 -0.182 0.000 1.129 1270 T CB -0.086 68.603 68.868 -0.299 0.000 0.899 1270 T HN 0.179 nan 8.240 nan 0.000 0.491 1271 L N -0.439 120.771 121.223 -0.022 0.000 2.265 1271 L HA 0.024 4.363 4.340 -0.000 0.000 0.215 1271 L C 1.753 178.431 176.870 -0.320 0.000 1.117 1271 L CA 1.226 55.976 54.840 -0.149 0.000 0.782 1271 L CB -0.465 41.488 42.059 -0.175 0.000 0.914 1271 L HN 0.262 nan 8.230 nan 0.000 0.441 1272 F N -1.515 118.359 119.950 -0.127 0.000 2.553 1272 F HA 0.130 4.656 4.527 -0.000 0.000 0.282 1272 F C 1.314 177.080 175.800 -0.056 0.000 1.089 1272 F CA -0.094 57.814 58.000 -0.152 0.000 1.411 1272 F CB 0.198 38.987 39.000 -0.352 0.000 1.125 1272 F HN -0.089 nan 8.300 nan 0.000 0.610 1273 Q N 1.349 121.232 119.800 0.138 0.000 2.788 1273 Q HA 0.223 4.563 4.340 -0.000 0.000 0.285 1273 Q C -2.140 173.949 176.000 0.147 0.000 1.063 1273 Q CA -1.453 54.446 55.803 0.159 0.000 0.958 1273 Q CB 0.941 29.839 28.738 0.266 0.000 1.211 1273 Q HN 0.104 nan 8.270 nan 0.000 0.478 1274 P HA -0.137 nan 4.420 nan 0.000 0.226 1274 P C 1.012 178.316 177.300 0.006 0.000 1.146 1274 P CA 1.144 64.246 63.100 0.003 0.000 0.773 1274 P CB 0.378 32.069 31.700 -0.015 0.000 0.772 1275 S N -1.116 114.597 115.700 0.021 0.000 2.383 1275 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 1275 S C 1.460 176.022 174.600 -0.063 0.000 1.030 1275 S CA 1.106 59.282 58.200 -0.040 0.000 1.002 1275 S CB -1.336 61.811 63.200 -0.089 0.000 0.829 1275 S HN 0.151 nan 8.310 nan 0.000 0.467 1276 F N 0.579 120.452 119.950 -0.129 0.000 2.271 1276 F HA -0.091 4.436 4.527 -0.000 0.000 0.302 1276 F C 1.596 177.271 175.800 -0.208 0.000 1.063 1276 F CA 0.811 58.711 58.000 -0.167 0.000 1.362 1276 F CB -0.078 38.732 39.000 -0.316 0.000 1.060 1276 F HN 0.199 nan 8.300 nan 0.000 0.521 1277 I N -1.206 119.332 120.570 -0.053 0.000 3.994 1277 I HA 0.365 4.535 4.170 -0.000 0.000 0.323 1277 I C 0.884 176.999 176.117 -0.004 0.000 1.501 1277 I CA 0.727 62.005 61.300 -0.037 0.000 1.112 1277 I CB -0.027 37.892 38.000 -0.136 0.000 1.254 1277 I HN 0.148 nan 8.210 nan 0.000 0.495 1278 G N 1.129 109.922 108.800 -0.011 0.000 4.315 1278 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.280 1278 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.280 1278 G C 0.861 175.750 174.900 -0.020 0.000 1.649 1278 G CA 0.545 45.638 45.100 -0.011 0.000 1.108 1278 G HN 0.461 nan 8.290 nan 0.000 0.667 1279 M N -0.651 118.937 119.600 -0.020 0.000 2.192 1279 M HA -0.382 4.098 4.480 -0.000 0.000 0.255 1279 M C 0.959 177.243 176.300 -0.027 0.000 0.435 1279 M CA 3.994 59.277 55.300 -0.028 0.000 0.714 1279 M CB -1.268 31.310 32.600 -0.036 0.000 1.779 1279 M HN 2.129 nan 8.290 nan 0.000 0.330 1280 E N -1.090 119.097 120.200 -0.023 0.000 3.303 1280 E HA -0.141 4.209 4.350 -0.000 0.000 0.302 1280 E C -0.991 175.596 176.600 -0.022 0.000 0.902 1280 E CA 0.499 56.887 56.400 -0.020 0.000 1.042 1280 E CB -1.292 28.397 29.700 -0.019 0.000 1.528 1280 E HN 0.629 nan 8.360 nan 0.000 0.424 1281 S N -0.060 115.624 115.700 -0.027 0.000 2.525 1281 S HA 0.729 5.198 4.470 -0.000 0.000 0.290 1281 S C 0.203 174.789 174.600 -0.024 0.000 1.152 1281 S CA -0.260 57.919 58.200 -0.035 0.000 1.072 1281 S CB 1.625 64.794 63.200 -0.052 0.000 1.027 1281 S HN 0.506 nan 8.310 nan 0.000 0.500 1282 A N 2.213 125.016 122.820 -0.029 0.000 2.567 1282 A HA 0.471 4.791 4.320 -0.000 0.000 0.236 1282 A C 0.911 178.486 177.584 -0.014 0.000 1.088 1282 A CA 0.291 52.312 52.037 -0.026 0.000 0.776 1282 A CB -0.523 18.442 19.000 -0.060 0.000 1.033 1282 A HN 0.909 nan 8.150 nan 0.000 0.513 1283 G N -1.018 107.812 108.800 0.049 0.000 2.537 1283 G HA2 0.414 4.374 3.960 -0.000 0.000 0.273 1283 G HA3 0.414 4.374 3.960 -0.000 0.000 0.273 1283 G C 1.085 176.010 174.900 0.042 0.000 1.189 1283 G CA -0.086 45.093 45.100 0.133 0.000 0.881 1283 G HN 1.205 nan 8.290 nan 0.000 0.535 1284 I N -0.784 119.716 120.570 -0.117 0.000 2.185 1284 I HA -0.306 3.863 4.170 -0.000 0.000 0.246 1284 I C 2.396 178.470 176.117 -0.071 0.000 1.088 1284 I CA 2.149 63.344 61.300 -0.174 0.000 1.347 1284 I CB -0.796 37.002 38.000 -0.336 0.000 1.041 1284 I HN 0.664 nan 8.210 nan 0.000 0.415 1285 H N 1.484 120.394 119.070 -0.267 0.000 2.353 1285 H HA -0.080 4.476 4.556 -0.000 0.000 0.300 1285 H C 1.702 177.030 175.328 0.001 0.000 1.090 1285 H CA 1.823 57.829 56.048 -0.069 0.000 1.327 1285 H CB -1.105 28.694 29.762 0.061 0.000 1.383 1285 H HN 0.562 nan 8.280 nan 0.000 0.508 1286 E N 0.536 120.375 120.200 -0.602 0.000 2.006 1286 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 1286 E C 2.511 179.050 176.600 -0.102 0.000 0.993 1286 E CA 2.085 58.242 56.400 -0.407 0.000 0.808 1286 E CB -0.136 29.314 29.700 -0.417 0.000 0.764 1286 E HN 0.728 nan 8.360 nan 0.000 0.449 1287 T N -0.216 114.278 114.554 -0.101 0.000 2.685 1287 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 1287 T C 2.088 176.758 174.700 -0.051 0.000 1.034 1287 T CA 2.085 64.143 62.100 -0.070 0.000 1.149 1287 T CB -1.068 67.749 68.868 -0.084 0.000 0.860 1287 T HN 0.013 nan 8.240 nan 0.000 0.449 1288 T N 0.730 115.263 114.554 -0.035 0.000 2.737 1288 T HA -0.127 4.222 4.350 -0.000 0.000 0.269 1288 T C 1.462 176.164 174.700 0.003 0.000 1.040 1288 T CA 1.693 63.780 62.100 -0.022 0.000 1.142 1288 T CB -0.622 68.253 68.868 0.011 0.000 0.861 1288 T HN 0.582 nan 8.240 nan 0.000 0.456 1289 Y N 2.187 122.438 120.300 -0.082 0.000 2.130 1289 Y HA -0.025 4.525 4.550 -0.000 0.000 0.287 1289 Y C 2.151 178.005 175.900 -0.078 0.000 1.124 1289 Y CA 1.064 59.133 58.100 -0.052 0.000 1.118 1289 Y CB -0.853 37.596 38.460 -0.019 0.000 0.994 1289 Y HN 0.203 nan 8.280 nan 0.000 0.497 1290 N N -0.562 118.101 118.700 -0.062 0.000 2.405 1290 N HA -0.202 4.538 4.740 -0.000 0.000 0.189 1290 N C 1.705 177.100 175.510 -0.191 0.000 1.021 1290 N CA 1.030 53.981 53.050 -0.164 0.000 0.891 1290 N CB -0.093 38.354 38.487 -0.066 0.000 0.955 1290 N HN 0.296 nan 8.380 nan 0.000 0.443 1291 S N 0.772 116.365 115.700 -0.178 0.000 2.355 1291 S HA 0.103 4.572 4.470 -0.000 0.000 0.216 1291 S C 1.908 176.368 174.600 -0.235 0.000 1.037 1291 S CA 0.232 58.320 58.200 -0.186 0.000 0.955 1291 S CB 0.064 63.169 63.200 -0.158 0.000 0.877 1291 S HN 0.210 nan 8.310 nan 0.000 0.488 1292 I N 1.724 122.123 120.570 -0.286 0.000 2.399 1292 I HA -0.240 3.930 4.170 -0.000 0.000 0.254 1292 I C 2.284 178.214 176.117 -0.313 0.000 1.146 1292 I CA 0.890 61.971 61.300 -0.365 0.000 1.412 1292 I CB -0.383 37.250 38.000 -0.612 0.000 1.076 1292 I HN 0.284 nan 8.210 nan 0.000 0.432 1293 M N 0.577 119.962 119.600 -0.359 0.000 2.081 1293 M HA -0.115 4.364 4.480 -0.000 0.000 0.261 1293 M C 2.192 178.386 176.300 -0.178 0.000 1.075 1293 M CA 1.686 56.797 55.300 -0.314 0.000 1.133 1293 M CB -0.985 31.341 32.600 -0.457 0.000 1.330 1293 M HN 0.107 nan 8.290 nan 0.000 0.414 1294 K N -0.356 119.947 120.400 -0.162 0.000 2.442 1294 K HA -0.094 4.226 4.320 -0.000 0.000 0.199 1294 K C 1.048 177.627 176.600 -0.036 0.000 1.044 1294 K CA 0.153 56.390 56.287 -0.083 0.000 0.941 1294 K CB -0.335 32.108 32.500 -0.094 0.000 0.759 1294 K HN 0.332 nan 8.250 nan 0.000 0.472 1295 C N 0.764 120.015 119.300 -0.080 0.000 2.769 1295 C HA 0.057 4.517 4.460 -0.000 0.000 0.296 1295 C C 0.807 175.814 174.990 0.029 0.000 1.538 1295 C CA -0.775 58.231 59.018 -0.019 0.000 2.178 1295 C CB 0.161 27.858 27.740 -0.072 0.000 2.077 1295 C HN 0.354 nan 8.230 nan 0.000 0.648 1296 D N -0.097 120.336 120.400 0.055 0.000 2.347 1296 D HA 0.248 4.887 4.640 -0.000 0.000 0.235 1296 D C 0.925 177.247 176.300 0.036 0.000 1.149 1296 D CA -0.263 53.767 54.000 0.049 0.000 0.850 1296 D CB 0.414 41.252 40.800 0.063 0.000 1.061 1296 D HN 0.369 nan 8.370 nan 0.000 0.487 1297 I N 3.398 123.983 120.570 0.024 0.000 2.285 1297 I HA -0.332 3.838 4.170 -0.000 0.000 0.254 1297 I C 1.604 177.745 176.117 0.041 0.000 1.093 1297 I CA 1.707 63.024 61.300 0.028 0.000 1.368 1297 I CB -0.038 37.977 38.000 0.025 0.000 1.054 1297 I HN 0.577 nan 8.210 nan 0.000 0.435 1298 D N 0.039 120.466 120.400 0.046 0.000 2.219 1298 D HA -0.147 4.493 4.640 -0.000 0.000 0.205 1298 D C 1.978 178.318 176.300 0.066 0.000 0.970 1298 D CA 1.723 55.756 54.000 0.056 0.000 0.851 1298 D CB 0.013 40.849 40.800 0.060 0.000 0.943 1298 D HN 0.681 nan 8.370 nan 0.000 0.488 1299 I N -3.040 117.569 120.570 0.065 0.000 4.057 1299 I HA 0.180 4.350 4.170 -0.000 0.000 0.334 1299 I C 1.764 177.865 176.117 -0.027 0.000 1.308 1299 I CA -0.357 60.959 61.300 0.027 0.000 1.125 1299 I CB 0.061 38.099 38.000 0.064 0.000 1.034 1299 I HN -0.292 nan 8.210 nan 0.000 0.401 1300 R N 1.903 122.402 120.500 -0.001 0.000 2.185 1300 R HA -0.187 4.152 4.340 -0.000 0.000 0.247 1300 R C 2.149 178.515 176.300 0.110 0.000 1.159 1300 R CA 1.479 57.572 56.100 -0.011 0.000 0.988 1300 R CB -0.590 29.750 30.300 0.067 0.000 0.871 1300 R HN 0.387 nan 8.270 nan 0.000 0.458 1301 K N 1.520 121.987 120.400 0.112 0.000 2.002 1301 K HA -0.175 4.144 4.320 -0.000 0.000 0.209 1301 K C 1.064 177.708 176.600 0.072 0.000 1.048 1301 K CA 1.862 58.223 56.287 0.123 0.000 0.930 1301 K CB -0.195 32.343 32.500 0.063 0.000 0.714 1301 K HN 0.053 nan 8.250 nan 0.000 0.438 1302 D N 0.607 120.995 120.400 -0.020 0.000 2.348 1302 D HA -0.090 4.550 4.640 -0.000 0.000 0.216 1302 D C 1.714 177.952 176.300 -0.103 0.000 0.970 1302 D CA 0.335 54.285 54.000 -0.083 0.000 0.889 1302 D CB 0.155 40.839 40.800 -0.193 0.000 0.912 1302 D HN 0.107 nan 8.370 nan 0.000 0.524 1303 L N -0.701 120.459 121.223 -0.106 0.000 2.202 1303 L HA -0.009 4.330 4.340 -0.000 0.000 0.205 1303 L C 1.590 178.400 176.870 -0.100 0.000 1.083 1303 L CA 1.097 55.843 54.840 -0.157 0.000 0.790 1303 L CB -0.560 41.350 42.059 -0.249 0.000 0.942 1303 L HN 0.003 nan 8.230 nan 0.000 0.452 1304 Y N -0.892 119.389 120.300 -0.032 0.000 2.421 1304 Y HA -0.038 4.512 4.550 -0.000 0.000 0.292 1304 Y C 2.270 178.164 175.900 -0.010 0.000 1.136 1304 Y CA 0.918 59.014 58.100 -0.006 0.000 1.255 1304 Y CB -0.465 38.002 38.460 0.011 0.000 0.991 1304 Y HN 0.197 nan 8.280 nan 0.000 0.552 1305 A N -0.908 121.987 122.820 0.126 0.000 2.267 1305 A HA 0.116 4.436 4.320 -0.000 0.000 0.213 1305 A C 0.623 178.224 177.584 0.028 0.000 1.192 1305 A CA 0.131 52.207 52.037 0.065 0.000 0.851 1305 A CB -0.046 18.979 19.000 0.042 0.000 0.881 1305 A HN 0.246 nan 8.150 nan 0.000 0.494 1306 N N 1.228 119.932 118.700 0.007 0.000 2.813 1306 N HA 0.158 4.898 4.740 -0.000 0.000 0.282 1306 N C -1.514 173.981 175.510 -0.024 0.000 1.748 1306 N CA -0.132 52.908 53.050 -0.016 0.000 0.860 1306 N CB 0.485 38.947 38.487 -0.043 0.000 1.204 1306 N HN 0.264 nan 8.380 nan 0.000 0.490 1307 N N -0.080 118.619 118.700 -0.001 0.000 2.456 1307 N HA 0.433 5.173 4.740 -0.000 0.000 0.288 1307 N C -0.940 174.568 175.510 -0.003 0.000 1.059 1307 N CA -0.227 52.821 53.050 -0.004 0.000 0.946 1307 N CB 1.687 40.190 38.487 0.027 0.000 1.150 1307 N HN -0.058 nan 8.380 nan 0.000 0.479 1308 V N 3.404 123.310 119.914 -0.014 0.000 2.577 1308 V HA 0.399 4.519 4.120 -0.000 0.000 0.303 1308 V C -0.410 175.679 176.094 -0.007 0.000 1.042 1308 V CA -0.824 61.470 62.300 -0.010 0.000 0.872 1308 V CB 1.691 33.502 31.823 -0.021 0.000 0.998 1308 V HN 0.601 nan 8.190 nan 0.000 0.423 1309 M N 3.376 122.977 119.600 0.002 0.000 2.180 1309 M HA 0.539 5.018 4.480 -0.000 0.000 0.358 1309 M C 0.018 176.314 176.300 -0.006 0.000 1.233 1309 M CA 0.352 55.654 55.300 0.004 0.000 1.114 1309 M CB 1.026 33.635 32.600 0.015 0.000 1.594 1309 M HN 0.696 nan 8.290 nan 0.000 0.467 1310 S N 1.771 117.465 115.700 -0.010 0.000 2.626 1310 S HA 0.800 5.270 4.470 -0.000 0.000 0.275 1310 S C -0.692 173.898 174.600 -0.017 0.000 1.175 1310 S CA 0.136 58.327 58.200 -0.014 0.000 0.982 1310 S CB 1.226 64.419 63.200 -0.011 0.000 1.093 1310 S HN 1.220 nan 8.310 nan 0.000 0.472 1311 G N 2.215 110.994 108.800 -0.034 0.000 2.316 1311 G HA2 0.355 4.314 3.960 -0.000 0.000 0.468 1311 G HA3 0.355 4.314 3.960 -0.000 0.000 0.468 1311 G C 0.629 175.478 174.900 -0.083 0.000 1.523 1311 G CA 0.042 45.118 45.100 -0.041 0.000 0.972 1311 G HN 1.257 nan 8.290 nan 0.000 0.667 1312 G N -0.494 108.246 108.800 -0.098 0.000 2.440 1312 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.218 1312 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.218 1312 G C 1.755 176.550 174.900 -0.176 0.000 1.154 1312 G CA 2.402 47.412 45.100 -0.150 0.000 0.767 1312 G HN 1.246 nan 8.290 nan 0.000 0.552 1313 T N 0.926 115.417 114.554 -0.105 0.000 3.051 1313 T HA -0.058 4.292 4.350 -0.000 0.000 0.269 1313 T C 2.345 177.025 174.700 -0.033 0.000 1.127 1313 T CA 1.596 63.653 62.100 -0.071 0.000 1.107 1313 T CB -0.321 68.586 68.868 0.066 0.000 0.898 1313 T HN 0.564 nan 8.240 nan 0.000 0.517 1314 T N -0.715 113.812 114.554 -0.046 0.000 3.272 1314 T HA 0.223 4.573 4.350 -0.000 0.000 0.250 1314 T C 1.371 176.046 174.700 -0.042 0.000 1.082 1314 T CA -0.133 61.973 62.100 0.011 0.000 0.968 1314 T CB -0.265 68.605 68.868 0.003 0.000 1.015 1314 T HN 0.081 nan 8.240 nan 0.000 0.563 1315 M N 0.634 120.120 119.600 -0.190 0.000 2.495 1315 M HA 0.307 4.787 4.480 -0.000 0.000 0.237 1315 M C -0.525 175.662 176.300 -0.189 0.000 1.131 1315 M CA -0.352 54.821 55.300 -0.212 0.000 1.032 1315 M CB -0.740 31.695 32.600 -0.276 0.000 1.513 1315 M HN 0.311 nan 8.290 nan 0.000 0.488 1316 Y N 1.506 121.823 120.300 0.028 0.000 2.497 1316 Y HA 0.170 4.720 4.550 -0.000 0.000 0.334 1316 Y C -1.827 174.103 175.900 0.051 0.000 1.199 1316 Y CA -1.840 56.294 58.100 0.056 0.000 1.425 1316 Y CB -0.553 37.960 38.460 0.088 0.000 1.291 1316 Y HN 0.084 nan 8.280 nan 0.000 0.562 1317 P HA 0.272 nan 4.420 nan 0.000 0.284 1317 P C 0.640 177.988 177.300 0.080 0.000 1.253 1317 P CA 0.588 63.761 63.100 0.122 0.000 0.800 1317 P CB 1.335 33.104 31.700 0.115 0.000 0.961 1318 G N 2.382 111.194 108.800 0.020 0.000 2.299 1318 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.237 1318 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.237 1318 G C 1.032 175.922 174.900 -0.015 0.000 1.027 1318 G CA 0.277 45.348 45.100 -0.047 0.000 0.619 1318 G HN 0.562 nan 8.290 nan 0.000 0.513 1319 I N 1.499 122.111 120.570 0.069 0.000 2.335 1319 I HA 0.017 4.187 4.170 -0.000 0.000 0.251 1319 I C 2.901 179.090 176.117 0.120 0.000 1.129 1319 I CA 2.178 63.559 61.300 0.135 0.000 1.402 1319 I CB -0.305 37.842 38.000 0.245 0.000 1.069 1319 I HN 0.463 nan 8.210 nan 0.000 0.424 1320 A N 0.821 123.688 122.820 0.078 0.000 1.841 1320 A HA -0.281 4.039 4.320 -0.000 0.000 0.216 1320 A C 1.960 179.572 177.584 0.046 0.000 1.199 1320 A CA 2.298 54.370 52.037 0.059 0.000 0.621 1320 A CB -0.891 18.130 19.000 0.036 0.000 0.835 1320 A HN 0.520 nan 8.150 nan 0.000 0.445 1321 D N -1.178 119.230 120.400 0.014 0.000 2.224 1321 D HA -0.100 4.540 4.640 -0.000 0.000 0.205 1321 D C 2.011 178.303 176.300 -0.015 0.000 0.965 1321 D CA 1.231 55.228 54.000 -0.005 0.000 0.852 1321 D CB -0.289 40.492 40.800 -0.032 0.000 0.947 1321 D HN 0.340 nan 8.370 nan 0.000 0.494 1322 R N 0.532 121.012 120.500 -0.034 0.000 2.193 1322 R HA -0.056 4.284 4.340 -0.000 0.000 0.229 1322 R C 1.895 178.221 176.300 0.043 0.000 1.110 1322 R CA 0.889 56.934 56.100 -0.092 0.000 0.988 1322 R CB -0.255 29.891 30.300 -0.256 0.000 0.871 1322 R HN 0.061 nan 8.270 nan 0.000 0.458 1323 M N -0.556 119.123 119.600 0.131 0.000 2.191 1323 M HA 0.003 4.482 4.480 -0.000 0.000 0.262 1323 M C 2.044 178.410 176.300 0.110 0.000 1.083 1323 M CA 1.352 56.761 55.300 0.181 0.000 1.154 1323 M CB -0.997 31.701 32.600 0.164 0.000 1.344 1323 M HN 0.139 nan 8.290 nan 0.000 0.431 1324 Q N 1.394 121.236 119.800 0.070 0.000 2.182 1324 Q HA -0.241 4.099 4.340 -0.000 0.000 0.213 1324 Q C 1.866 177.886 176.000 0.033 0.000 1.000 1324 Q CA 2.470 58.300 55.803 0.045 0.000 0.889 1324 Q CB -0.339 28.412 28.738 0.022 0.000 0.932 1324 Q HN 0.481 nan 8.270 nan 0.000 0.415 1325 K N -0.592 119.821 120.400 0.022 0.000 1.992 1325 K HA -0.131 4.189 4.320 -0.000 0.000 0.210 1325 K C 1.826 178.446 176.600 0.034 0.000 1.036 1325 K CA 1.135 57.426 56.287 0.006 0.000 0.946 1325 K CB -0.306 32.178 32.500 -0.026 0.000 0.742 1325 K HN 0.097 nan 8.250 nan 0.000 0.442 1326 E N 0.780 121.017 120.200 0.061 0.000 2.324 1326 E HA -0.229 4.120 4.350 -0.000 0.000 0.205 1326 E C 1.904 178.601 176.600 0.161 0.000 1.031 1326 E CA 1.794 58.276 56.400 0.137 0.000 0.836 1326 E CB -0.300 29.527 29.700 0.212 0.000 0.742 1326 E HN 0.606 nan 8.360 nan 0.000 0.491 1327 I N -2.484 118.156 120.570 0.116 0.000 3.039 1327 I HA -0.041 4.129 4.170 -0.000 0.000 0.270 1327 I C 2.242 178.361 176.117 0.005 0.000 1.150 1327 I CA 1.159 62.507 61.300 0.080 0.000 1.448 1327 I CB -0.863 37.233 38.000 0.159 0.000 1.197 1327 I HN -0.115 nan 8.210 nan 0.000 0.450 1328 T N 0.313 114.868 114.554 0.001 0.000 2.721 1328 T HA -0.231 4.119 4.350 -0.000 0.000 0.268 1328 T C 2.012 176.671 174.700 -0.069 0.000 1.038 1328 T CA 1.637 63.708 62.100 -0.049 0.000 1.145 1328 T CB -1.293 67.554 68.868 -0.036 0.000 0.858 1328 T HN 0.511 nan 8.240 nan 0.000 0.459 1329 A N 1.191 123.982 122.820 -0.049 0.000 2.019 1329 A HA 0.228 4.548 4.320 -0.000 0.000 0.219 1329 A C 2.334 179.853 177.584 -0.109 0.000 1.164 1329 A CA 1.169 53.170 52.037 -0.059 0.000 0.644 1329 A CB -0.647 18.336 19.000 -0.028 0.000 0.805 1329 A HN 0.609 nan 8.150 nan 0.000 0.449 1330 L N -1.753 119.366 121.223 -0.173 0.000 2.513 1330 L HA 0.305 4.644 4.340 -0.000 0.000 0.222 1330 L C 1.130 177.759 176.870 -0.402 0.000 1.096 1330 L CA 0.169 54.788 54.840 -0.370 0.000 0.857 1330 L CB -0.098 41.607 42.059 -0.590 0.000 1.026 1330 L HN 0.344 nan 8.230 nan 0.000 0.469 1331 A N -0.123 122.575 122.820 -0.203 0.000 2.311 1331 A HA 0.646 4.966 4.320 -0.000 0.000 0.334 1331 A C -2.339 175.167 177.584 -0.129 0.000 1.139 1331 A CA -1.510 50.464 52.037 -0.105 0.000 0.830 1331 A CB 0.073 18.897 19.000 -0.294 0.000 1.234 1331 A HN -0.117 nan 8.150 nan 0.000 0.483 1332 P HA -0.065 nan 4.420 nan 0.000 0.255 1332 P C 1.108 178.343 177.300 -0.109 0.000 1.161 1332 P CA 1.055 64.110 63.100 -0.074 0.000 0.768 1332 P CB 0.530 32.200 31.700 -0.049 0.000 0.746 1333 S N 1.620 117.276 115.700 -0.074 0.000 2.392 1333 S HA -0.206 4.264 4.470 -0.000 0.000 0.232 1333 S C 1.401 175.961 174.600 -0.066 0.000 1.041 1333 S CA 1.705 59.865 58.200 -0.068 0.000 1.026 1333 S CB -1.163 62.010 63.200 -0.045 0.000 0.845 1333 S HN 0.507 nan 8.310 nan 0.000 0.465 1334 T N 1.505 116.025 114.554 -0.057 0.000 4.508 1334 T HA 0.530 4.880 4.350 -0.000 0.000 0.232 1334 T C -0.510 174.153 174.700 -0.060 0.000 1.027 1334 T CA -0.250 61.822 62.100 -0.046 0.000 0.999 1334 T CB -1.327 67.524 68.868 -0.028 0.000 1.402 1334 T HN 0.509 nan 8.240 nan 0.000 1.003 1335 M N 2.809 122.360 119.600 -0.081 0.000 2.342 1335 M HA 0.293 4.773 4.480 -0.000 0.000 0.260 1335 M C -1.398 174.846 176.300 -0.093 0.000 1.023 1335 M CA -0.837 54.406 55.300 -0.096 0.000 0.919 1335 M CB 1.342 33.838 32.600 -0.175 0.000 2.048 1335 M HN 0.108 nan 8.290 nan 0.000 0.479 1336 K N 4.185 124.557 120.400 -0.047 0.000 2.368 1336 K HA 0.470 4.790 4.320 -0.000 0.000 0.282 1336 K C -1.197 175.394 176.600 -0.015 0.000 1.035 1336 K CA 0.069 56.339 56.287 -0.028 0.000 0.973 1336 K CB 0.479 32.973 32.500 -0.009 0.000 0.957 1336 K HN 0.554 nan 8.250 nan 0.000 0.474 1337 I N 3.890 124.454 120.570 -0.010 0.000 2.525 1337 I HA 0.396 4.566 4.170 -0.000 0.000 0.301 1337 I C -0.242 175.898 176.117 0.039 0.000 0.992 1337 I CA -0.594 60.725 61.300 0.032 0.000 1.162 1337 I CB 1.577 39.591 38.000 0.024 0.000 1.332 1337 I HN 0.639 nan 8.210 nan 0.000 0.458 1338 K N 5.232 125.667 120.400 0.059 0.000 2.507 1338 K HA 0.544 4.863 4.320 -0.000 0.000 0.251 1338 K C -1.432 175.195 176.600 0.044 0.000 0.943 1338 K CA -0.593 55.718 56.287 0.041 0.000 0.794 1338 K CB 2.073 34.592 32.500 0.031 0.000 1.188 1338 K HN 0.327 nan 8.250 nan 0.000 0.428 1339 I N 5.841 126.433 120.570 0.037 0.000 2.330 1339 I HA 0.331 4.501 4.170 -0.000 0.000 0.289 1339 I C -0.181 175.951 176.117 0.026 0.000 1.001 1339 I CA -0.626 60.696 61.300 0.036 0.000 1.193 1339 I CB 1.204 39.230 38.000 0.042 0.000 1.345 1339 I HN 0.536 nan 8.210 nan 0.000 0.461 1340 I N 5.965 126.548 120.570 0.021 0.000 2.337 1340 I HA 0.424 4.594 4.170 -0.000 0.000 0.285 1340 I C 0.366 176.491 176.117 0.014 0.000 1.041 1340 I CA -0.333 60.976 61.300 0.015 0.000 1.199 1340 I CB 1.397 39.404 38.000 0.011 0.000 1.370 1340 I HN 0.625 nan 8.210 nan 0.000 0.470 1341 A N 7.798 130.626 122.820 0.014 0.000 2.802 1341 A HA 0.659 4.979 4.320 -0.000 0.000 0.344 1341 A C -2.470 175.117 177.584 0.005 0.000 1.215 1341 A CA -1.398 50.645 52.037 0.011 0.000 0.821 1341 A CB -0.279 18.731 19.000 0.018 0.000 1.099 1341 A HN 0.372 nan 8.150 nan 0.000 0.479 1342 P HA 0.086 nan 4.420 nan 0.000 0.267 1342 P C -1.708 175.588 177.300 -0.006 0.000 1.200 1342 P CA -0.886 62.217 63.100 0.005 0.000 0.772 1342 P CB 0.625 32.333 31.700 0.013 0.000 0.855 1343 P HA -0.160 nan 4.420 nan 0.000 0.225 1343 P C 0.659 177.937 177.300 -0.036 0.000 1.148 1343 P CA 1.394 64.483 63.100 -0.018 0.000 0.779 1343 P CB 0.197 31.894 31.700 -0.004 0.000 0.780 1344 E N 0.761 120.950 120.200 -0.018 0.000 2.481 1344 E HA -0.033 4.317 4.350 -0.000 0.000 0.198 1344 E C 1.677 178.241 176.600 -0.060 0.000 1.027 1344 E CA -0.142 56.243 56.400 -0.025 0.000 0.900 1344 E CB -0.629 29.107 29.700 0.060 0.000 0.993 1344 E HN 0.311 nan 8.360 nan 0.000 0.482 1345 R N 1.736 122.205 120.500 -0.051 0.000 2.316 1345 R HA -0.193 4.147 4.340 -0.000 0.000 0.257 1345 R C 1.955 178.192 176.300 -0.106 0.000 1.198 1345 R CA 1.628 57.698 56.100 -0.050 0.000 1.026 1345 R CB -0.822 29.452 30.300 -0.044 0.000 0.872 1345 R HN 0.066 nan 8.270 nan 0.000 0.482 1346 K N 0.019 120.273 120.400 -0.242 0.000 2.147 1346 K HA -0.149 4.170 4.320 -0.000 0.000 0.205 1346 K C 0.511 176.849 176.600 -0.435 0.000 1.049 1346 K CA 1.425 57.438 56.287 -0.457 0.000 0.936 1346 K CB 0.105 32.137 32.500 -0.779 0.000 0.722 1346 K HN 0.320 nan 8.250 nan 0.000 0.446 1347 Y N -1.675 118.632 120.300 0.011 0.000 2.448 1347 Y HA 0.162 4.712 4.550 -0.000 0.000 0.257 1347 Y C 1.897 177.870 175.900 0.122 0.000 1.089 1347 Y CA -0.192 57.937 58.100 0.048 0.000 1.245 1347 Y CB -0.244 38.228 38.460 0.020 0.000 1.282 1347 Y HN -0.024 nan 8.280 nan 0.000 0.529 1348 S N 0.892 116.709 115.700 0.196 0.000 2.429 1348 S HA -0.287 4.183 4.470 -0.000 0.000 0.251 1348 S C 1.989 176.677 174.600 0.148 0.000 1.104 1348 S CA 2.677 60.965 58.200 0.146 0.000 1.130 1348 S CB -0.775 62.465 63.200 0.066 0.000 1.000 1348 S HN 0.240 nan 8.310 nan 0.000 0.449 1349 V N -0.197 119.800 119.914 0.138 0.000 2.282 1349 V HA -0.210 3.910 4.120 -0.000 0.000 0.249 1349 V C 2.023 178.201 176.094 0.140 0.000 1.057 1349 V CA 2.322 64.687 62.300 0.109 0.000 1.032 1349 V CB -1.530 30.355 31.823 0.103 0.000 0.645 1349 V HN 0.771 nan 8.190 nan 0.000 0.447 1350 W N 0.857 122.182 121.300 0.042 0.000 2.352 1350 W HA -0.162 4.498 4.660 -0.000 0.000 0.322 1350 W C 2.211 178.745 176.519 0.025 0.000 1.208 1350 W CA 1.909 59.267 57.345 0.022 0.000 1.286 1350 W CB -0.496 28.962 29.460 -0.004 0.000 1.167 1350 W HN 0.174 nan 8.180 nan 0.000 0.469 1351 I N 1.603 122.354 120.570 0.302 0.000 2.121 1351 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 1351 I C 2.743 178.789 176.117 -0.119 0.000 1.047 1351 I CA 2.296 63.656 61.300 0.099 0.000 1.308 1351 I CB -1.679 36.444 38.000 0.205 0.000 1.015 1351 I HN 0.231 nan 8.210 nan 0.000 0.410 1352 G N -0.070 108.707 108.800 -0.038 0.000 2.529 1352 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 1352 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 1352 G C 1.820 176.634 174.900 -0.144 0.000 1.177 1352 G CA 1.094 46.171 45.100 -0.037 0.000 0.773 1352 G HN 0.575 nan 8.290 nan 0.000 0.573 1353 G N 0.093 108.764 108.800 -0.214 0.000 2.422 1353 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 1353 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 1353 G C 2.093 176.724 174.900 -0.448 0.000 1.146 1353 G CA 1.664 46.586 45.100 -0.296 0.000 0.769 1353 G HN 0.555 nan 8.290 nan 0.000 0.547 1354 S N 0.287 115.579 115.700 -0.680 0.000 2.353 1354 S HA -0.109 4.361 4.470 -0.000 0.000 0.222 1354 S C 2.400 176.791 174.600 -0.348 0.000 1.035 1354 S CA 1.231 59.018 58.200 -0.688 0.000 1.025 1354 S CB -0.329 62.274 63.200 -0.996 0.000 0.902 1354 S HN 0.376 nan 8.310 nan 0.000 0.440 1355 I N 1.648 122.052 120.570 -0.276 0.000 2.068 1355 I HA -0.212 3.958 4.170 -0.000 0.000 0.238 1355 I C 2.491 178.445 176.117 -0.273 0.000 1.046 1355 I CA 1.163 62.342 61.300 -0.200 0.000 1.306 1355 I CB -0.636 37.268 38.000 -0.159 0.000 1.023 1355 I HN 0.335 nan 8.210 nan 0.000 0.399 1356 L N 1.145 122.146 121.223 -0.370 0.000 1.987 1356 L HA -0.359 3.980 4.340 -0.000 0.000 0.230 1356 L C 2.806 179.224 176.870 -0.754 0.000 1.089 1356 L CA 2.788 57.253 54.840 -0.626 0.000 0.802 1356 L CB -1.540 40.120 42.059 -0.664 0.000 0.905 1356 L HN 0.399 nan 8.230 nan 0.000 0.441 1357 A N -1.401 121.067 122.820 -0.586 0.000 1.958 1357 A HA -0.186 4.134 4.320 -0.000 0.000 0.221 1357 A C 1.693 179.319 177.584 0.069 0.000 1.178 1357 A CA 1.855 53.787 52.037 -0.174 0.000 0.642 1357 A CB -0.654 18.410 19.000 0.107 0.000 0.816 1357 A HN 0.556 nan 8.150 nan 0.000 0.453 1358 S N -0.034 115.639 115.700 -0.045 0.000 3.548 1358 S HA 0.612 5.082 4.470 -0.000 0.000 0.195 1358 S C -0.523 174.070 174.600 -0.012 0.000 1.432 1358 S CA -0.086 58.127 58.200 0.021 0.000 1.087 1358 S CB -0.599 62.602 63.200 0.003 0.000 1.337 1358 S HN 0.364 nan 8.310 nan 0.000 0.505 1359 L N 0.663 121.896 121.223 0.018 0.000 2.506 1359 L HA 0.299 4.638 4.340 -0.000 0.000 0.257 1359 L C 1.301 178.208 176.870 0.061 0.000 0.964 1359 L CA -0.631 54.207 54.840 -0.002 0.000 0.836 1359 L CB 2.038 44.041 42.059 -0.093 0.000 1.384 1359 L HN 0.410 nan 8.230 nan 0.000 0.410 1360 S N -0.615 115.107 115.700 0.038 0.000 2.365 1360 S HA -0.200 4.270 4.470 -0.000 0.000 0.221 1360 S C 1.506 176.132 174.600 0.043 0.000 1.037 1360 S CA 2.006 60.233 58.200 0.046 0.000 1.060 1360 S CB -0.769 62.445 63.200 0.023 0.000 0.974 1360 S HN 0.807 nan 8.310 nan 0.000 0.427 1361 T N 1.182 115.747 114.554 0.018 0.000 2.848 1361 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 1361 T C 1.240 175.949 174.700 0.016 0.000 1.081 1361 T CA 1.426 63.530 62.100 0.007 0.000 1.125 1361 T CB -0.629 68.232 68.868 -0.011 0.000 0.848 1361 T HN 0.393 nan 8.240 nan 0.000 0.503 1362 F N 1.689 121.526 119.950 -0.189 0.000 2.234 1362 F HA 0.055 4.582 4.527 -0.000 0.000 0.296 1362 F C 2.553 178.158 175.800 -0.325 0.000 1.089 1362 F CA 0.478 58.270 58.000 -0.348 0.000 1.343 1362 F CB -0.608 38.116 39.000 -0.459 0.000 1.040 1362 F HN 0.094 nan 8.300 nan 0.000 0.498 1363 Q N 0.069 119.827 119.800 -0.070 0.000 2.250 1363 Q HA -0.324 4.016 4.340 -0.000 0.000 0.215 1363 Q C 1.970 177.936 176.000 -0.057 0.000 1.002 1363 Q CA 2.355 58.200 55.803 0.069 0.000 0.910 1363 Q CB -0.144 28.660 28.738 0.109 0.000 0.939 1363 Q HN 0.461 nan 8.270 nan 0.000 0.416 1364 Q N -0.470 119.238 119.800 -0.153 0.000 2.050 1364 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 1364 Q C 2.166 178.012 176.000 -0.256 0.000 0.980 1364 Q CA 1.288 57.008 55.803 -0.139 0.000 0.840 1364 Q CB -0.417 28.259 28.738 -0.103 0.000 0.898 1364 Q HN 0.502 nan 8.270 nan 0.000 0.424 1365 M N -0.466 118.801 119.600 -0.554 0.000 2.106 1365 M HA -0.158 4.322 4.480 -0.000 0.000 0.259 1365 M C 0.550 176.461 176.300 -0.647 0.000 1.068 1365 M CA 0.632 55.470 55.300 -0.770 0.000 1.100 1365 M CB -1.345 30.399 32.600 -1.427 0.000 1.351 1365 M HN 0.169 nan 8.290 nan 0.000 0.404 1366 W N 1.508 122.398 121.300 -0.684 0.000 2.377 1366 W HA -0.025 4.635 4.660 -0.000 0.000 0.341 1366 W C 0.344 176.810 176.519 -0.087 0.000 1.240 1366 W CA -0.330 56.822 57.345 -0.321 0.000 1.311 1366 W CB -0.120 29.198 29.460 -0.237 0.000 1.175 1366 W HN 0.083 nan 8.180 nan 0.000 0.571 1367 I N 3.927 124.696 120.570 0.332 0.000 2.316 1367 I HA 0.057 4.226 4.170 -0.000 0.000 0.286 1367 I C 0.900 177.204 176.117 0.311 0.000 1.107 1367 I CA -0.601 60.851 61.300 0.253 0.000 1.219 1367 I CB -0.261 37.890 38.000 0.251 0.000 1.455 1367 I HN 0.353 nan 8.210 nan 0.000 0.498 1368 T N 2.771 117.439 114.554 0.190 0.000 2.908 1368 T HA -0.065 4.284 4.350 -0.000 0.000 0.325 1368 T C 1.284 175.989 174.700 0.009 0.000 1.092 1368 T CA 0.369 62.549 62.100 0.134 0.000 1.125 1368 T CB 1.030 69.926 68.868 0.048 0.000 1.016 1368 T HN 0.744 nan 8.240 nan 0.000 0.550 1369 K N 1.522 121.903 120.400 -0.032 0.000 2.032 1369 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 1369 K C 2.394 178.837 176.600 -0.262 0.000 1.048 1369 K CA 1.840 57.879 56.287 -0.415 0.000 0.927 1369 K CB -0.362 32.084 32.500 -0.089 0.000 0.712 1369 K HN 0.857 nan 8.250 nan 0.000 0.441 1370 Q N 0.528 120.257 119.800 -0.119 0.000 2.224 1370 Q HA -0.275 4.065 4.340 -0.000 0.000 0.213 1370 Q C 1.573 177.501 176.000 -0.120 0.000 0.998 1370 Q CA 2.275 58.019 55.803 -0.098 0.000 0.895 1370 Q CB -0.013 28.690 28.738 -0.058 0.000 0.926 1370 Q HN 0.486 nan 8.270 nan 0.000 0.417 1371 E N -0.731 119.403 120.200 -0.111 0.000 2.028 1371 E HA -0.212 4.137 4.350 -0.000 0.000 0.191 1371 E C 1.858 178.375 176.600 -0.138 0.000 0.988 1371 E CA 1.196 57.540 56.400 -0.092 0.000 0.799 1371 E CB -0.443 29.234 29.700 -0.037 0.000 0.755 1371 E HN 0.475 nan 8.360 nan 0.000 0.447 1372 Y N 2.679 122.768 120.300 -0.352 0.000 2.207 1372 Y HA -0.245 4.305 4.550 -0.000 0.000 0.287 1372 Y C 1.660 177.391 175.900 -0.282 0.000 1.156 1372 Y CA 1.646 59.508 58.100 -0.395 0.000 1.182 1372 Y CB -0.212 37.714 38.460 -0.890 0.000 0.979 1372 Y HN -0.047 nan 8.280 nan 0.000 0.521 1373 D N 0.180 120.320 120.400 -0.434 0.000 2.149 1373 D HA -0.169 4.471 4.640 -0.000 0.000 0.198 1373 D C 1.724 177.832 176.300 -0.319 0.000 0.990 1373 D CA 1.874 55.642 54.000 -0.387 0.000 0.839 1373 D CB -0.064 40.614 40.800 -0.204 0.000 0.948 1373 D HN 0.659 nan 8.370 nan 0.000 0.460 1374 E N -0.736 119.320 120.200 -0.240 0.000 2.364 1374 E HA 0.214 4.564 4.350 -0.000 0.000 0.196 1374 E C 1.573 178.077 176.600 -0.161 0.000 0.990 1374 E CA 0.327 56.626 56.400 -0.169 0.000 0.886 1374 E CB 0.592 30.225 29.700 -0.112 0.000 0.866 1374 E HN 0.135 nan 8.360 nan 0.000 0.493 1375 A N 1.041 123.751 122.820 -0.184 0.000 1.984 1375 A HA 0.520 4.839 4.320 -0.000 0.000 0.203 1375 A C 1.145 178.640 177.584 -0.148 0.000 1.292 1375 A CA 0.805 52.765 52.037 -0.127 0.000 0.782 1375 A CB 0.266 19.224 19.000 -0.070 0.000 0.924 1375 A HN 0.251 nan 8.150 nan 0.000 0.475 1376 G N -1.325 107.321 108.800 -0.257 0.000 2.655 1376 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.680 1376 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.680 1376 G C -1.703 173.272 174.900 0.124 0.000 1.302 1376 G CA -0.301 44.677 45.100 -0.204 0.000 0.872 1376 G HN 0.062 nan 8.290 nan 0.000 0.540 1377 P HA -0.190 nan 4.420 nan 0.000 0.217 1377 P C 2.282 179.552 177.300 -0.050 0.000 1.162 1377 P CA 3.073 66.257 63.100 0.139 0.000 0.901 1377 P CB -0.240 31.521 31.700 0.101 0.000 0.793 1378 S N -0.548 115.146 115.700 -0.010 0.000 2.448 1378 S HA -0.254 4.216 4.470 -0.000 0.000 0.247 1378 S C 1.873 176.441 174.600 -0.053 0.000 1.033 1378 S CA 1.489 59.697 58.200 0.014 0.000 1.003 1378 S CB -1.657 61.595 63.200 0.088 0.000 0.786 1378 S HN 0.256 nan 8.310 nan 0.000 0.495 1379 I N 1.030 121.567 120.570 -0.055 0.000 2.617 1379 I HA 0.075 4.245 4.170 -0.000 0.000 0.256 1379 I C 1.614 177.685 176.117 -0.077 0.000 1.167 1379 I CA 0.717 62.002 61.300 -0.025 0.000 1.469 1379 I CB -0.007 38.002 38.000 0.015 0.000 1.098 1379 I HN 0.261 nan 8.210 nan 0.000 0.436 1380 V N 2.198 121.992 119.914 -0.200 0.000 3.458 1380 V HA -0.070 4.050 4.120 -0.000 0.000 0.318 1380 V C 1.164 177.103 176.094 -0.258 0.000 1.182 1380 V CA 0.891 63.066 62.300 -0.209 0.000 1.303 1380 V CB -1.365 30.343 31.823 -0.193 0.000 1.073 1380 V HN 0.472 nan 8.190 nan 0.000 0.418 1381 H N 0.701 119.763 119.070 -0.012 0.000 3.205 1381 H HA 0.337 4.893 4.556 -0.000 0.000 0.252 1381 H C 0.793 176.111 175.328 -0.017 0.000 1.015 1381 H CA -0.088 55.951 56.048 -0.015 0.000 1.192 1381 H CB 0.443 30.214 29.762 0.015 0.000 1.474 1381 H HN 0.453 nan 8.280 nan 0.000 0.484 1382 R N 2.937 123.499 120.500 0.103 0.000 2.593 1382 R HA 0.181 4.521 4.340 -0.000 0.000 0.282 1382 R C 0.641 176.956 176.300 0.026 0.000 1.300 1382 R CA -0.037 56.104 56.100 0.070 0.000 1.221 1382 R CB 0.544 30.884 30.300 0.067 0.000 1.157 1382 R HN 0.428 nan 8.270 nan 0.000 0.555 1383 K N -0.015 120.378 120.400 -0.012 0.000 2.362 1383 K HA 0.082 4.402 4.320 -0.000 0.000 0.203 1383 K C 0.837 177.437 176.600 0.000 0.000 1.198 1383 K CA 0.630 56.882 56.287 -0.059 0.000 0.908 1383 K CB -0.016 32.236 32.500 -0.413 0.000 1.236 1383 K HN 0.490 nan 8.250 nan 0.000 0.487 1384 C N 0.543 119.872 119.300 0.049 0.000 4.498 1384 C HA -0.198 4.262 4.460 -0.000 0.000 0.286 1384 C C 0.320 175.405 174.990 0.158 0.000 1.663 1384 C CA -0.009 59.059 59.018 0.083 0.000 1.923 1384 C CB -3.299 24.507 27.740 0.110 0.000 1.883 1384 C HN 0.650 nan 8.230 nan 0.000 0.696 1385 F N 0.000 120.000 119.950 0.084 0.000 2.286 1385 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1385 F CA 0.000 58.107 58.000 0.179 0.000 1.383 1385 F CB 0.000 39.072 39.000 0.119 0.000 1.145 1385 F HN 0.000 nan 8.300 nan 0.000 0.574