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 2du8_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MRVVVIGAGV IGLSTALCIH ERYHSVLQPL DIKVYADRFT PLTTTDVAAG DATA SEQUENCE LWQPYLSDPN NPQEADWSQQ TFDYLLSHVH SPNAENLGLF LISGYNLFHE DATA SEQUENCE AIPDPSWKDT VLGFRKLTPR ELDMFPDYGY GWFHTSLILE GKNYLQWLTE DATA SEQUENCE RLTERGVKFF QRKVESFEEV AREGADVIVN CTGVWAGALQ RDPLLQPGRG DATA SEQUENCE QIMKVDAPWM KHFILTHDPE RGIYNSPYII PGTQTVTLGG IFQLGNWSEL DATA SEQUENCE NNIQDHNTIW EGCCRLEPTL KNARIIGERT GFRPVRPQIR LEREQLRTGP DATA SEQUENCE SNTEVIHNYG HGGYGLTIHW GCALEAAKLF GRILEEKKLS 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.342 176.300 0.069 0.000 1.140 1001 M CA 0.000 55.333 55.300 0.055 0.000 0.988 1001 M CB 0.000 32.648 32.600 0.080 0.000 1.302 1002 R N 2.034 122.562 120.500 0.047 0.000 2.221 1002 R HA 0.784 5.124 4.340 -0.000 0.000 0.327 1002 R C -0.956 175.358 176.300 0.023 0.000 1.033 1002 R CA -0.530 55.590 56.100 0.033 0.000 0.887 1002 R CB 1.232 31.542 30.300 0.016 0.000 1.057 1002 R HN 0.438 nan 8.270 nan 0.000 0.455 1003 V N 4.406 124.323 119.914 0.005 0.000 2.444 1003 V HA 0.308 4.427 4.120 -0.000 0.000 0.294 1003 V C -0.277 175.754 176.094 -0.104 0.000 1.022 1003 V CA -0.867 61.414 62.300 -0.033 0.000 0.850 1003 V CB 1.911 33.696 31.823 -0.064 0.000 0.992 1003 V HN 0.427 nan 8.190 nan 0.000 0.426 1004 V N 5.617 125.444 119.914 -0.145 0.000 2.370 1004 V HA 0.413 4.533 4.120 -0.000 0.000 0.283 1004 V C -0.056 175.920 176.094 -0.197 0.000 1.023 1004 V CA -0.598 61.545 62.300 -0.262 0.000 0.857 1004 V CB 1.853 33.445 31.823 -0.386 0.000 0.985 1004 V HN 0.616 nan 8.190 nan 0.000 0.443 1005 V N 6.862 126.658 119.914 -0.197 0.000 2.364 1005 V HA 0.430 4.550 4.120 -0.000 0.000 0.272 1005 V C 0.040 176.071 176.094 -0.105 0.000 1.036 1005 V CA -0.282 61.941 62.300 -0.129 0.000 0.880 1005 V CB 1.406 33.152 31.823 -0.129 0.000 0.991 1005 V HN 0.669 nan 8.190 nan 0.000 0.460 1006 I N 4.910 125.463 120.570 -0.027 0.000 2.304 1006 I HA 0.734 4.903 4.170 -0.000 0.000 0.291 1006 I C 0.702 176.821 176.117 0.003 0.000 1.018 1006 I CA 0.036 61.349 61.300 0.021 0.000 1.260 1006 I CB 1.159 39.213 38.000 0.089 0.000 1.390 1006 I HN 0.829 nan 8.210 nan 0.000 0.475 1007 G N 4.351 113.112 108.800 -0.066 0.000 3.014 1007 G HA2 0.219 4.178 3.960 -0.000 0.000 0.683 1007 G HA3 0.219 4.178 3.960 -0.000 0.000 0.683 1007 G C -0.534 174.263 174.900 -0.173 0.000 1.271 1007 G CA -0.317 44.727 45.100 -0.093 0.000 0.843 1007 G HN 0.868 nan 8.290 nan 0.000 0.612 1008 A N 1.089 123.757 122.820 -0.253 0.000 2.676 1008 A HA 0.801 5.121 4.320 -0.000 0.000 0.297 1008 A C 1.201 178.741 177.584 -0.074 0.000 1.132 1008 A CA 1.107 53.000 52.037 -0.240 0.000 0.972 1008 A CB -0.054 18.613 19.000 -0.557 0.000 1.197 1008 A HN 2.084 nan 8.150 nan 0.000 0.524 1009 G N -1.518 107.268 108.800 -0.022 0.000 2.532 1009 G HA2 0.380 4.340 3.960 -0.000 0.000 0.291 1009 G HA3 0.380 4.340 3.960 -0.000 0.000 0.291 1009 G C 1.131 176.054 174.900 0.039 0.000 1.349 1009 G CA 0.333 45.453 45.100 0.033 0.000 1.038 1009 G HN 0.435 nan 8.290 nan 0.000 0.518 1010 V N -0.115 119.826 119.914 0.045 0.000 2.317 1010 V HA -0.191 3.929 4.120 -0.000 0.000 0.251 1010 V C 2.577 178.714 176.094 0.071 0.000 1.065 1010 V CA 1.838 64.168 62.300 0.051 0.000 1.049 1010 V CB -0.489 31.336 31.823 0.003 0.000 0.651 1010 V HN 0.523 nan 8.190 nan 0.000 0.450 1011 I N 0.568 121.144 120.570 0.011 0.000 2.233 1011 I HA -0.046 4.123 4.170 -0.000 0.000 0.243 1011 I C 2.710 178.847 176.117 0.033 0.000 1.093 1011 I CA 1.728 63.020 61.300 -0.015 0.000 1.380 1011 I CB -2.153 35.769 38.000 -0.130 0.000 1.067 1011 I HN 0.401 nan 8.210 nan 0.000 0.413 1012 G N 1.293 110.108 108.800 0.025 0.000 2.480 1012 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 1012 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 1012 G C 1.814 176.714 174.900 0.001 0.000 1.200 1012 G CA 0.481 45.581 45.100 0.001 0.000 0.782 1012 G HN 0.282 nan 8.290 nan 0.000 0.554 1013 L N 1.367 122.603 121.223 0.022 0.000 2.046 1013 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 1013 L C 3.388 180.317 176.870 0.098 0.000 1.077 1013 L CA 1.669 56.539 54.840 0.052 0.000 0.747 1013 L CB -0.601 41.502 42.059 0.073 0.000 0.896 1013 L HN 0.486 nan 8.230 nan 0.000 0.432 1014 S N -1.399 114.400 115.700 0.165 0.000 2.368 1014 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 1014 S C 1.942 176.645 174.600 0.172 0.000 1.030 1014 S CA 1.672 60.058 58.200 0.310 0.000 0.999 1014 S CB -0.707 62.843 63.200 0.584 0.000 0.844 1014 S HN 0.331 nan 8.310 nan 0.000 0.459 1015 T N 2.783 117.380 114.554 0.071 0.000 2.674 1015 T HA 0.079 4.429 4.350 -0.000 0.000 0.265 1015 T C 2.271 176.953 174.700 -0.029 0.000 1.039 1015 T CA 1.483 63.571 62.100 -0.020 0.000 1.150 1015 T CB -0.995 67.852 68.868 -0.035 0.000 0.864 1015 T HN 0.640 nan 8.240 nan 0.000 0.427 1016 A N 1.384 124.195 122.820 -0.017 0.000 1.917 1016 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 1016 A C 2.242 179.845 177.584 0.032 0.000 1.182 1016 A CA 1.573 53.596 52.037 -0.023 0.000 0.633 1016 A CB -0.877 18.107 19.000 -0.027 0.000 0.819 1016 A HN 0.401 nan 8.150 nan 0.000 0.448 1017 L N -0.489 120.780 121.223 0.077 0.000 2.027 1017 L HA -0.124 4.215 4.340 -0.000 0.000 0.206 1017 L C 2.523 179.480 176.870 0.146 0.000 1.074 1017 L CA 2.018 56.930 54.840 0.120 0.000 0.745 1017 L CB -1.158 41.005 42.059 0.172 0.000 0.898 1017 L HN 0.461 nan 8.230 nan 0.000 0.433 1018 C N -0.461 118.895 119.300 0.093 0.000 2.413 1018 C HA -0.167 4.293 4.460 -0.000 0.000 0.277 1018 C C 2.791 177.798 174.990 0.028 0.000 1.265 1018 C CA 1.067 60.083 59.018 -0.003 0.000 1.752 1018 C CB -0.880 26.738 27.740 -0.203 0.000 1.998 1018 C HN 0.586 nan 8.230 nan 0.000 0.489 1019 I N -1.051 119.528 120.570 0.015 0.000 2.286 1019 I HA -0.177 3.992 4.170 -0.000 0.000 0.245 1019 I C 2.720 178.898 176.117 0.103 0.000 1.104 1019 I CA 1.330 62.634 61.300 0.006 0.000 1.397 1019 I CB -0.684 37.131 38.000 -0.308 0.000 1.072 1019 I HN 0.498 nan 8.210 nan 0.000 0.417 1020 H N 1.722 120.807 119.070 0.025 0.000 2.321 1020 H HA -0.201 4.355 4.556 -0.000 0.000 0.300 1020 H C 1.985 177.408 175.328 0.159 0.000 1.087 1020 H CA 2.051 58.147 56.048 0.081 0.000 1.319 1020 H CB 0.132 29.910 29.762 0.026 0.000 1.379 1020 H HN 0.516 nan 8.280 nan 0.000 0.501 1021 E N -0.270 120.081 120.200 0.252 0.000 2.347 1021 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 1021 E C 2.105 178.776 176.600 0.118 0.000 1.008 1021 E CA 0.291 56.839 56.400 0.246 0.000 0.852 1021 E CB 0.028 29.860 29.700 0.220 0.000 0.783 1021 E HN 0.154 nan 8.360 nan 0.000 0.505 1022 R N -0.690 119.799 120.500 -0.019 0.000 2.265 1022 R HA 0.080 4.419 4.340 -0.000 0.000 0.194 1022 R C 0.104 176.039 176.300 -0.607 0.000 0.931 1022 R CA 0.497 56.400 56.100 -0.329 0.000 1.032 1022 R CB 0.444 30.486 30.300 -0.429 0.000 0.980 1022 R HN 0.295 nan 8.270 nan 0.000 0.497 1023 Y N -1.892 118.424 120.300 0.027 0.000 2.791 1023 Y HA 0.064 4.614 4.550 -0.000 0.000 0.263 1023 Y C 1.234 177.105 175.900 -0.049 0.000 1.089 1023 Y CA -0.435 57.681 58.100 0.027 0.000 1.253 1023 Y CB -0.111 38.474 38.460 0.208 0.000 1.360 1023 Y HN 0.182 nan 8.280 nan 0.000 0.569 1024 H N -1.724 117.296 119.070 -0.084 0.000 2.524 1024 H HA 0.020 4.576 4.556 -0.000 0.000 0.282 1024 H C 1.733 177.020 175.328 -0.068 0.000 1.016 1024 H CA 1.307 57.233 56.048 -0.203 0.000 1.270 1024 H CB 0.025 29.434 29.762 -0.588 0.000 1.394 1024 H HN 0.091 nan 8.280 nan 0.000 0.568 1025 S N 0.204 115.514 115.700 -0.650 0.000 2.492 1025 S HA -0.002 4.468 4.470 -0.000 0.000 0.218 1025 S C 1.540 176.045 174.600 -0.159 0.000 1.016 1025 S CA 0.129 58.057 58.200 -0.453 0.000 0.916 1025 S CB -0.064 62.840 63.200 -0.493 0.000 0.791 1025 S HN 0.409 nan 8.310 nan 0.000 0.513 1026 V N -1.067 118.802 119.914 -0.075 0.000 3.177 1026 V HA 0.601 4.721 4.120 -0.000 0.000 0.342 1026 V C -0.312 175.803 176.094 0.035 0.000 1.379 1026 V CA -0.425 61.879 62.300 0.007 0.000 1.191 1026 V CB -0.649 31.214 31.823 0.066 0.000 1.167 1026 V HN 0.387 nan 8.190 nan 0.000 0.471 1027 L N 0.371 121.611 121.223 0.029 0.000 2.543 1027 L HA 0.445 4.785 4.340 -0.000 0.000 0.265 1027 L C 0.697 177.590 176.870 0.038 0.000 0.945 1027 L CA -0.164 54.701 54.840 0.041 0.000 0.869 1027 L CB 2.413 44.522 42.059 0.082 0.000 1.294 1027 L HN 0.030 nan 8.230 nan 0.000 0.405 1028 Q N 2.900 122.719 119.800 0.031 0.000 1.922 1028 Q HA 0.105 4.445 4.340 -0.000 0.000 0.201 1028 Q C -1.477 174.553 176.000 0.050 0.000 0.979 1028 Q CA 1.014 56.838 55.803 0.035 0.000 0.841 1028 Q CB -0.485 28.268 28.738 0.025 0.000 0.903 1028 Q HN 0.417 nan 8.270 nan 0.000 0.431 1029 P HA 0.172 nan 4.420 nan 0.000 0.266 1029 P C -1.057 176.286 177.300 0.071 0.000 1.586 1029 P CA -0.043 63.092 63.100 0.057 0.000 1.088 1029 P CB -0.103 31.624 31.700 0.046 0.000 1.584 1030 L N 3.798 125.073 121.223 0.087 0.000 2.315 1030 L HA 0.363 4.703 4.340 -0.000 0.000 0.278 1030 L C -0.653 176.285 176.870 0.113 0.000 1.088 1030 L CA 0.012 54.914 54.840 0.104 0.000 0.899 1030 L CB -0.082 42.040 42.059 0.104 0.000 1.277 1030 L HN 0.117 nan 8.230 nan 0.000 0.431 1031 D N 6.374 126.832 120.400 0.098 0.000 2.280 1031 D HA 0.396 5.036 4.640 -0.000 0.000 0.236 1031 D C -0.272 176.074 176.300 0.078 0.000 1.082 1031 D CA 0.178 54.237 54.000 0.099 0.000 0.834 1031 D CB 1.900 42.751 40.800 0.085 0.000 1.100 1031 D HN 0.409 nan 8.370 nan 0.000 0.486 1032 I N 2.092 122.718 120.570 0.093 0.000 2.389 1032 I HA 0.273 4.443 4.170 -0.000 0.000 0.288 1032 I C 0.286 176.439 176.117 0.060 0.000 0.999 1032 I CA -0.606 60.722 61.300 0.047 0.000 1.129 1032 I CB 1.426 39.460 38.000 0.057 0.000 1.288 1032 I HN -0.102 nan 8.210 nan 0.000 0.444 1033 K N 4.449 124.854 120.400 0.008 0.000 2.267 1033 K HA 0.747 5.067 4.320 -0.000 0.000 0.246 1033 K C -1.286 175.268 176.600 -0.078 0.000 0.954 1033 K CA -0.729 55.595 56.287 0.061 0.000 0.824 1033 K CB 2.853 35.423 32.500 0.116 0.000 1.167 1033 K HN 0.253 nan 8.250 nan 0.000 0.431 1034 V N 3.664 123.567 119.914 -0.019 0.000 2.407 1034 V HA 0.329 4.449 4.120 -0.000 0.000 0.291 1034 V C -1.268 174.949 176.094 0.205 0.000 1.018 1034 V CA -0.867 61.339 62.300 -0.157 0.000 0.842 1034 V CB 0.735 32.169 31.823 -0.647 0.000 0.996 1034 V HN 0.577 nan 8.190 nan 0.000 0.426 1035 Y N 2.877 123.174 120.300 -0.006 0.000 2.341 1035 Y HA 0.846 5.396 4.550 -0.000 0.000 0.337 1035 Y C 0.381 176.224 175.900 -0.096 0.000 1.014 1035 Y CA -1.536 56.593 58.100 0.048 0.000 1.111 1035 Y CB 1.927 40.412 38.460 0.041 0.000 1.194 1035 Y HN 0.731 nan 8.280 nan 0.000 0.462 1036 A N 2.028 124.856 122.820 0.014 0.000 2.574 1036 A HA 0.428 4.748 4.320 -0.000 0.000 0.297 1036 A C 0.211 177.677 177.584 -0.197 0.000 1.062 1036 A CA -0.583 51.280 52.037 -0.289 0.000 0.686 1036 A CB 1.287 19.783 19.000 -0.840 0.000 1.285 1036 A HN 0.598 nan 8.150 nan 0.000 0.403 1037 D N 0.376 120.648 120.400 -0.213 0.000 2.123 1037 D HA 0.009 4.649 4.640 -0.000 0.000 0.200 1037 D C 0.580 176.804 176.300 -0.127 0.000 0.976 1037 D CA 1.503 55.407 54.000 -0.160 0.000 0.831 1037 D CB 0.212 40.863 40.800 -0.248 0.000 0.974 1037 D HN 0.534 nan 8.370 nan 0.000 0.469 1038 R N -0.952 119.409 120.500 -0.231 0.000 2.686 1038 R HA 0.477 4.817 4.340 -0.000 0.000 0.286 1038 R C -1.014 175.150 176.300 -0.227 0.000 0.969 1038 R CA -0.702 55.325 56.100 -0.121 0.000 0.898 1038 R CB 1.709 31.937 30.300 -0.121 0.000 1.183 1038 R HN -0.039 nan 8.270 nan 0.000 0.456 1039 F N -0.925 119.040 119.950 0.025 0.000 2.671 1039 F HA 0.232 4.759 4.527 -0.000 0.000 0.373 1039 F C 2.080 177.914 175.800 0.057 0.000 1.122 1039 F CA -0.578 57.458 58.000 0.060 0.000 1.082 1039 F CB 1.090 40.142 39.000 0.086 0.000 1.399 1039 F HN 0.489 nan 8.300 nan 0.000 0.509 1040 T N 1.262 116.019 114.554 0.337 0.000 2.873 1040 T HA -0.189 4.161 4.350 -0.000 0.000 0.258 1040 T C -0.931 173.847 174.700 0.130 0.000 1.024 1040 T CA 2.491 64.708 62.100 0.195 0.000 1.165 1040 T CB -0.764 68.204 68.868 0.167 0.000 0.827 1040 T HN 0.343 nan 8.240 nan 0.000 0.495 1041 P HA 0.210 nan 4.420 nan 0.000 0.228 1041 P C 0.809 178.158 177.300 0.082 0.000 1.166 1041 P CA 0.618 63.770 63.100 0.087 0.000 0.812 1041 P CB -0.100 31.641 31.700 0.069 0.000 0.857 1042 L N 0.180 121.458 121.223 0.091 0.000 2.984 1042 L HA 0.316 4.656 4.340 -0.000 0.000 0.246 1042 L C 0.763 177.685 176.870 0.087 0.000 1.268 1042 L CA -0.302 54.586 54.840 0.080 0.000 1.054 1042 L CB -0.380 41.721 42.059 0.071 0.000 1.393 1042 L HN -0.071 nan 8.230 nan 0.000 0.532 1043 T N -5.614 108.997 114.554 0.096 0.000 2.952 1043 T HA 0.258 4.607 4.350 -0.000 0.000 0.286 1043 T C 1.175 175.963 174.700 0.146 0.000 1.024 1043 T CA -0.296 61.881 62.100 0.128 0.000 1.029 1043 T CB 1.792 70.718 68.868 0.097 0.000 1.094 1043 T HN 0.047 nan 8.240 nan 0.000 0.515 1044 T N 1.493 116.173 114.554 0.210 0.000 2.778 1044 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 1044 T C 1.994 176.736 174.700 0.070 0.000 1.050 1044 T CA 2.200 64.379 62.100 0.132 0.000 1.137 1044 T CB -0.869 68.083 68.868 0.139 0.000 0.860 1044 T HN 0.824 nan 8.240 nan 0.000 0.468 1045 T N 2.039 116.641 114.554 0.080 0.000 2.788 1045 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 1045 T C 1.680 176.411 174.700 0.051 0.000 1.044 1045 T CA 1.150 63.283 62.100 0.055 0.000 1.139 1045 T CB -0.379 68.527 68.868 0.064 0.000 0.867 1045 T HN 0.470 nan 8.240 nan 0.000 0.454 1046 D N 0.974 121.411 120.400 0.063 0.000 2.178 1046 D HA -0.057 4.583 4.640 -0.000 0.000 0.201 1046 D C 2.073 178.396 176.300 0.039 0.000 0.980 1046 D CA 0.840 54.874 54.000 0.057 0.000 0.842 1046 D CB -0.062 40.777 40.800 0.065 0.000 0.948 1046 D HN 0.295 nan 8.370 nan 0.000 0.472 1047 V N 1.177 121.107 119.914 0.026 0.000 2.871 1047 V HA 0.004 4.124 4.120 -0.000 0.000 0.256 1047 V C 1.306 177.400 176.094 -0.000 0.000 1.082 1047 V CA 0.388 62.691 62.300 0.005 0.000 1.105 1047 V CB -0.682 31.127 31.823 -0.023 0.000 0.713 1047 V HN 0.086 nan 8.190 nan 0.000 0.473 1048 A N 0.201 123.018 122.820 -0.004 0.000 2.425 1048 A HA 0.617 4.937 4.320 -0.000 0.000 0.249 1048 A C 1.626 179.198 177.584 -0.020 0.000 1.084 1048 A CA 0.428 52.450 52.037 -0.025 0.000 0.781 1048 A CB 0.575 19.553 19.000 -0.037 0.000 1.019 1048 A HN 0.414 nan 8.150 nan 0.000 0.490 1049 A N 1.714 124.512 122.820 -0.037 0.000 1.898 1049 A HA 0.355 4.675 4.320 -0.000 0.000 0.216 1049 A C 1.862 179.408 177.584 -0.063 0.000 1.181 1049 A CA 1.783 53.800 52.037 -0.032 0.000 0.620 1049 A CB -0.868 18.105 19.000 -0.044 0.000 0.819 1049 A HN 2.681 nan 8.150 nan 0.000 0.442 1050 G N -2.248 106.490 108.800 -0.103 0.000 2.131 1050 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.201 1050 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.201 1050 G C -0.028 174.782 174.900 -0.149 0.000 1.000 1050 G CA 0.098 45.130 45.100 -0.114 0.000 0.680 1050 G HN 0.978 nan 8.290 nan 0.000 0.514 1051 L N 0.404 121.514 121.223 -0.189 0.000 2.410 1051 L HA 0.632 4.972 4.340 -0.000 0.000 0.273 1051 L C 0.545 177.325 176.870 -0.149 0.000 1.152 1051 L CA -0.964 53.742 54.840 -0.222 0.000 0.855 1051 L CB 0.376 42.226 42.059 -0.348 0.000 1.129 1051 L HN 0.240 nan 8.230 nan 0.000 0.463 1052 W N 7.331 128.498 121.300 -0.222 0.000 2.437 1052 W HA 0.422 5.082 4.660 -0.000 0.000 0.312 1052 W C -0.379 175.985 176.519 -0.258 0.000 1.242 1052 W CA -0.063 57.198 57.345 -0.140 0.000 1.340 1052 W CB 0.075 29.550 29.460 0.024 0.000 1.327 1052 W HN 0.639 nan 8.180 nan 0.000 0.476 1053 Q N 7.587 126.917 119.800 -0.783 0.000 2.548 1053 Q HA 0.205 4.545 4.340 -0.000 0.000 0.232 1053 Q C -2.623 172.837 176.000 -0.900 0.000 0.838 1053 Q CA -1.480 53.724 55.803 -0.999 0.000 1.032 1053 Q CB 1.640 30.070 28.738 -0.512 0.000 1.548 1053 Q HN 0.163 nan 8.270 nan 0.000 0.479 1054 P HA 0.049 nan 4.420 nan 0.000 0.271 1054 P C -0.838 176.391 177.300 -0.118 0.000 1.244 1054 P CA -0.138 62.545 63.100 -0.696 0.000 0.793 1054 P CB 0.326 31.638 31.700 -0.646 0.000 0.984 1055 Y N -0.232 120.007 120.300 -0.101 0.000 2.546 1055 Y HA -0.061 4.489 4.550 -0.000 0.000 0.351 1055 Y C 1.951 177.966 175.900 0.192 0.000 1.266 1055 Y CA -0.125 57.996 58.100 0.036 0.000 1.487 1055 Y CB -0.503 37.937 38.460 -0.034 0.000 1.365 1055 Y HN 0.238 nan 8.280 nan 0.000 0.642 1056 L N 0.506 121.920 121.223 0.319 0.000 1.994 1056 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 1056 L C 1.039 177.984 176.870 0.125 0.000 1.071 1056 L CA 1.605 56.600 54.840 0.259 0.000 0.745 1056 L CB -0.909 41.224 42.059 0.123 0.000 0.892 1056 L HN 0.697 nan 8.230 nan 0.000 0.431 1057 S N -0.656 115.090 115.700 0.076 0.000 2.601 1057 S HA 0.145 4.615 4.470 -0.000 0.000 0.271 1057 S C -0.254 174.362 174.600 0.027 0.000 1.305 1057 S CA -1.006 57.205 58.200 0.018 0.000 1.022 1057 S CB 1.090 64.287 63.200 -0.005 0.000 0.940 1057 S HN 0.079 nan 8.310 nan 0.000 0.525 1058 D N 2.674 123.061 120.400 -0.022 0.000 2.419 1058 D HA 0.267 4.906 4.640 -0.000 0.000 0.236 1058 D C -1.848 174.441 176.300 -0.018 0.000 1.165 1058 D CA -0.461 53.518 54.000 -0.035 0.000 0.882 1058 D CB -0.015 40.748 40.800 -0.061 0.000 1.201 1058 D HN 0.456 nan 8.370 nan 0.000 0.443 1059 P HA 0.054 nan 4.420 nan 0.000 0.279 1059 P C 0.526 177.808 177.300 -0.030 0.000 1.239 1059 P CA -0.444 62.630 63.100 -0.044 0.000 0.789 1059 P CB 0.787 32.427 31.700 -0.101 0.000 0.933 1060 N N 2.231 120.933 118.700 0.003 0.000 2.132 1060 N HA -0.238 4.502 4.740 -0.000 0.000 0.191 1060 N C 0.113 175.606 175.510 -0.029 0.000 1.015 1060 N CA 1.101 54.152 53.050 0.001 0.000 0.864 1060 N CB -0.015 38.491 38.487 0.032 0.000 1.006 1060 N HN 0.475 nan 8.380 nan 0.000 0.430 1061 N N -0.176 118.492 118.700 -0.053 0.000 2.399 1061 N HA 0.269 5.008 4.740 -0.000 0.000 0.280 1061 N C -2.183 173.229 175.510 -0.163 0.000 1.008 1061 N CA -2.120 50.870 53.050 -0.099 0.000 0.894 1061 N CB 2.093 40.521 38.487 -0.098 0.000 1.273 1061 N HN -0.104 nan 8.380 nan 0.000 0.486 1062 P HA -0.122 nan 4.420 nan 0.000 0.231 1062 P C 0.419 177.553 177.300 -0.277 0.000 1.158 1062 P CA 1.035 64.029 63.100 -0.176 0.000 0.763 1062 P CB 0.467 32.087 31.700 -0.132 0.000 0.805 1063 Q N 0.412 119.960 119.800 -0.420 0.000 2.079 1063 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 1063 Q C 2.194 177.578 176.000 -1.027 0.000 0.974 1063 Q CA 1.205 56.544 55.803 -0.772 0.000 0.840 1063 Q CB -0.365 27.755 28.738 -1.030 0.000 0.898 1063 Q HN 0.433 nan 8.270 nan 0.000 0.430 1064 E N 0.892 120.642 120.200 -0.749 0.000 2.097 1064 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 1064 E C 2.014 178.527 176.600 -0.144 0.000 1.000 1064 E CA 1.104 57.309 56.400 -0.324 0.000 0.804 1064 E CB -0.235 29.405 29.700 -0.100 0.000 0.740 1064 E HN 0.368 nan 8.360 nan 0.000 0.454 1065 A N 1.940 124.660 122.820 -0.167 0.000 1.978 1065 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 1065 A C 1.710 179.294 177.584 -0.000 0.000 1.170 1065 A CA 1.768 53.773 52.037 -0.054 0.000 0.636 1065 A CB -0.254 18.709 19.000 -0.062 0.000 0.810 1065 A HN 0.139 nan 8.150 nan 0.000 0.448 1066 D N -1.056 119.283 120.400 -0.102 0.000 2.137 1066 D HA -0.131 4.509 4.640 -0.000 0.000 0.202 1066 D C 1.720 178.122 176.300 0.170 0.000 0.970 1066 D CA 0.773 54.766 54.000 -0.011 0.000 0.837 1066 D CB -0.416 40.330 40.800 -0.090 0.000 0.981 1066 D HN 0.663 nan 8.370 nan 0.000 0.475 1067 W N 1.885 123.240 121.300 0.091 0.000 2.342 1067 W HA -0.049 4.611 4.660 -0.000 0.000 0.297 1067 W C 2.534 179.168 176.519 0.191 0.000 1.213 1067 W CA 0.280 57.691 57.345 0.111 0.000 1.251 1067 W CB -1.352 28.167 29.460 0.098 0.000 1.136 1067 W HN -0.058 nan 8.180 nan 0.000 0.526 1068 S N -0.095 115.857 115.700 0.420 0.000 2.368 1068 S HA -0.237 4.233 4.470 -0.000 0.000 0.224 1068 S C 1.773 176.733 174.600 0.601 0.000 1.029 1068 S CA 1.809 60.301 58.200 0.486 0.000 0.988 1068 S CB -0.405 62.973 63.200 0.297 0.000 0.838 1068 S HN 0.254 nan 8.310 nan 0.000 0.462 1069 Q N 1.626 121.659 119.800 0.389 0.000 2.050 1069 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 1069 Q C 2.039 178.198 176.000 0.265 0.000 0.980 1069 Q CA 1.766 57.729 55.803 0.266 0.000 0.840 1069 Q CB -0.420 28.413 28.738 0.159 0.000 0.898 1069 Q HN 0.585 nan 8.270 nan 0.000 0.424 1070 Q N -0.823 119.151 119.800 0.289 0.000 2.050 1070 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 1070 Q C 2.154 178.370 176.000 0.361 0.000 0.980 1070 Q CA 1.901 57.879 55.803 0.291 0.000 0.840 1070 Q CB -0.222 28.687 28.738 0.284 0.000 0.898 1070 Q HN 0.424 nan 8.270 nan 0.000 0.424 1071 T N 1.029 115.828 114.554 0.409 0.000 2.684 1071 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 1071 T C 1.412 176.257 174.700 0.242 0.000 1.036 1071 T CA 1.300 63.644 62.100 0.406 0.000 1.148 1071 T CB -0.451 68.681 68.868 0.440 0.000 0.863 1071 T HN 0.232 nan 8.240 nan 0.000 0.436 1072 F N 2.231 122.156 119.950 -0.043 0.000 2.095 1072 F HA -0.157 4.369 4.527 -0.000 0.000 0.298 1072 F C 2.125 177.755 175.800 -0.283 0.000 1.104 1072 F CA 1.507 59.212 58.000 -0.492 0.000 1.232 1072 F CB -0.261 38.138 39.000 -1.002 0.000 0.987 1072 F HN 0.071 nan 8.300 nan 0.000 0.475 1073 D N -1.032 119.409 120.400 0.068 0.000 2.144 1073 D HA -0.241 4.398 4.640 -0.000 0.000 0.199 1073 D C 1.929 178.176 176.300 -0.088 0.000 0.984 1073 D CA 1.480 55.486 54.000 0.010 0.000 0.834 1073 D CB -0.707 40.147 40.800 0.091 0.000 0.955 1073 D HN 0.432 nan 8.370 nan 0.000 0.465 1074 Y N 1.462 121.663 120.300 -0.165 0.000 2.133 1074 Y HA -0.117 4.433 4.550 -0.000 0.000 0.287 1074 Y C 2.164 177.799 175.900 -0.443 0.000 1.134 1074 Y CA 1.297 59.219 58.100 -0.298 0.000 1.133 1074 Y CB -0.516 37.765 38.460 -0.298 0.000 0.987 1074 Y HN -0.124 nan 8.280 nan 0.000 0.502 1075 L N -0.413 120.490 121.223 -0.533 0.000 2.201 1075 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 1075 L C 2.275 178.795 176.870 -0.583 0.000 1.105 1075 L CA 0.618 55.079 54.840 -0.632 0.000 0.775 1075 L CB -0.542 41.241 42.059 -0.460 0.000 0.913 1075 L HN 0.322 nan 8.230 nan 0.000 0.440 1076 L N -0.062 120.799 121.223 -0.604 0.000 2.072 1076 L HA -0.136 4.204 4.340 -0.000 0.000 0.205 1076 L C 2.692 179.338 176.870 -0.374 0.000 1.079 1076 L CA 1.968 56.497 54.840 -0.518 0.000 0.752 1076 L CB -0.567 41.183 42.059 -0.516 0.000 0.906 1076 L HN 0.317 nan 8.230 nan 0.000 0.436 1077 S N -2.558 112.895 115.700 -0.412 0.000 2.547 1077 S HA -0.154 4.316 4.470 -0.000 0.000 0.235 1077 S C 1.408 175.825 174.600 -0.304 0.000 0.980 1077 S CA 1.116 59.097 58.200 -0.365 0.000 0.941 1077 S CB -0.896 62.050 63.200 -0.422 0.000 0.763 1077 S HN 0.742 nan 8.310 nan 0.000 0.532 1078 H N -1.204 117.665 119.070 -0.336 0.000 3.058 1078 H HA 0.362 4.918 4.556 -0.000 0.000 0.266 1078 H C 1.657 176.841 175.328 -0.239 0.000 1.135 1078 H CA 0.125 55.982 56.048 -0.318 0.000 1.174 1078 H CB 0.829 30.294 29.762 -0.496 0.000 1.581 1078 H HN 0.299 nan 8.280 nan 0.000 0.553 1079 V N 0.543 120.402 119.914 -0.091 0.000 2.594 1079 V HA -0.224 3.896 4.120 -0.000 0.000 0.253 1079 V C 1.156 177.335 176.094 0.142 0.000 1.069 1079 V CA 1.976 64.262 62.300 -0.024 0.000 1.082 1079 V CB -0.302 31.493 31.823 -0.046 0.000 0.680 1079 V HN 0.604 nan 8.190 nan 0.000 0.469 1080 H N -0.770 118.252 119.070 -0.079 0.000 2.528 1080 H HA 0.288 4.844 4.556 -0.000 0.000 0.282 1080 H C 1.087 176.384 175.328 -0.052 0.000 1.097 1080 H CA 0.249 56.263 56.048 -0.055 0.000 1.121 1080 H CB 0.463 30.200 29.762 -0.042 0.000 1.590 1080 H HN 0.590 nan 8.280 nan 0.000 0.553 1081 S N 1.160 116.872 115.700 0.021 0.000 2.681 1081 S HA 0.155 4.625 4.470 -0.000 0.000 0.270 1081 S C -1.199 173.361 174.600 -0.067 0.000 1.209 1081 S CA -1.186 56.994 58.200 -0.033 0.000 0.988 1081 S CB 1.814 64.960 63.200 -0.089 0.000 1.006 1081 S HN 0.041 nan 8.310 nan 0.000 0.558 1082 P HA 0.040 nan 4.420 nan 0.000 0.225 1082 P C 0.503 177.759 177.300 -0.074 0.000 1.156 1082 P CA 0.816 63.882 63.100 -0.058 0.000 0.787 1082 P CB -0.348 31.331 31.700 -0.035 0.000 0.802 1083 N N 0.814 119.448 118.700 -0.109 0.000 2.348 1083 N HA -0.114 4.626 4.740 -0.000 0.000 0.185 1083 N C 1.867 177.245 175.510 -0.220 0.000 1.019 1083 N CA 1.339 54.290 53.050 -0.164 0.000 0.880 1083 N CB -0.837 37.483 38.487 -0.277 0.000 0.965 1083 N HN 0.135 nan 8.380 nan 0.000 0.437 1084 A N 0.890 123.605 122.820 -0.175 0.000 1.892 1084 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 1084 A C 2.137 179.656 177.584 -0.108 0.000 1.188 1084 A CA 1.745 53.689 52.037 -0.157 0.000 0.631 1084 A CB -0.648 18.294 19.000 -0.097 0.000 0.822 1084 A HN 0.432 nan 8.150 nan 0.000 0.447 1085 E N -0.201 119.954 120.200 -0.075 0.000 2.051 1085 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 1085 E C 1.742 178.325 176.600 -0.028 0.000 0.991 1085 E CA 1.288 57.664 56.400 -0.040 0.000 0.799 1085 E CB -0.199 29.477 29.700 -0.040 0.000 0.748 1085 E HN 0.609 nan 8.360 nan 0.000 0.449 1086 N N 0.545 119.223 118.700 -0.037 0.000 2.149 1086 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 1086 N C 1.909 177.410 175.510 -0.015 0.000 1.019 1086 N CA 0.822 53.880 53.050 0.013 0.000 0.857 1086 N CB -0.254 38.283 38.487 0.085 0.000 0.997 1086 N HN 0.161 nan 8.380 nan 0.000 0.426 1087 L N 0.218 121.328 121.223 -0.189 0.000 2.141 1087 L HA 0.014 4.353 4.340 -0.000 0.000 0.209 1087 L C 1.381 178.245 176.870 -0.010 0.000 1.094 1087 L CA 1.267 55.994 54.840 -0.189 0.000 0.763 1087 L CB -0.691 41.124 42.059 -0.406 0.000 0.908 1087 L HN 0.370 nan 8.230 nan 0.000 0.437 1088 G N -0.262 108.539 108.800 0.001 0.000 2.171 1088 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.238 1088 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.238 1088 G C 0.025 174.966 174.900 0.069 0.000 1.039 1088 G CA 0.323 45.469 45.100 0.077 0.000 0.759 1088 G HN 0.294 nan 8.290 nan 0.000 0.501 1089 L N 0.303 121.531 121.223 0.008 0.000 2.317 1089 L HA 0.939 5.278 4.340 -0.000 0.000 0.281 1089 L C -0.001 176.911 176.870 0.071 0.000 1.024 1089 L CA -1.304 53.474 54.840 -0.103 0.000 0.810 1089 L CB 0.973 42.901 42.059 -0.218 0.000 1.240 1089 L HN 0.507 nan 8.230 nan 0.000 0.427 1090 F N 2.410 122.294 119.950 -0.109 0.000 2.773 1090 F HA 0.548 5.075 4.527 -0.000 0.000 0.314 1090 F C -1.969 173.795 175.800 -0.059 0.000 1.160 1090 F CA -1.262 56.691 58.000 -0.077 0.000 0.920 1090 F CB 0.805 39.769 39.000 -0.060 0.000 1.323 1090 F HN 0.221 nan 8.300 nan 0.000 0.457 1091 L N 2.915 124.228 121.223 0.151 0.000 2.350 1091 L HA 0.650 4.990 4.340 -0.000 0.000 0.275 1091 L C -0.360 176.624 176.870 0.190 0.000 1.099 1091 L CA -0.502 54.388 54.840 0.083 0.000 0.808 1091 L CB 1.470 43.595 42.059 0.109 0.000 1.149 1091 L HN 0.732 nan 8.230 nan 0.000 0.442 1092 I N 0.790 121.433 120.570 0.123 0.000 2.692 1092 I HA 0.397 4.567 4.170 -0.000 0.000 0.293 1092 I C -0.874 175.340 176.117 0.162 0.000 1.200 1092 I CA -0.008 61.399 61.300 0.178 0.000 1.036 1092 I CB 2.068 40.215 38.000 0.246 0.000 1.258 1092 I HN 0.566 nan 8.210 nan 0.000 0.421 1093 S N 3.913 119.596 115.700 -0.028 0.000 2.608 1093 S HA 0.992 5.462 4.470 -0.000 0.000 0.291 1093 S C -0.100 173.954 174.600 -0.910 0.000 1.146 1093 S CA -0.296 57.686 58.200 -0.363 0.000 1.043 1093 S CB 1.817 64.880 63.200 -0.228 0.000 1.037 1093 S HN 0.985 nan 8.310 nan 0.000 0.520 1094 G N 0.371 107.998 108.800 -1.955 0.000 2.430 1094 G HA2 0.503 4.462 3.960 -0.000 0.000 0.300 1094 G HA3 0.503 4.462 3.960 -0.000 0.000 0.300 1094 G C -2.438 171.335 174.900 -1.878 0.000 1.330 1094 G CA -0.731 42.979 45.100 -2.316 0.000 0.813 1094 G HN 0.493 nan 8.290 nan 0.000 0.487 1095 Y N 0.429 120.263 120.300 -0.777 0.000 2.360 1095 Y HA 0.563 5.112 4.550 -0.000 0.000 0.337 1095 Y C 0.429 176.297 175.900 -0.054 0.000 1.039 1095 Y CA -1.009 56.934 58.100 -0.262 0.000 1.109 1095 Y CB 1.940 40.233 38.460 -0.278 0.000 1.201 1095 Y HN 0.238 nan 8.280 nan 0.000 0.458 1096 N N 3.951 122.765 118.700 0.189 0.000 2.446 1096 N HA 0.448 5.188 4.740 -0.000 0.000 0.265 1096 N C -1.421 173.821 175.510 -0.446 0.000 0.975 1096 N CA -0.353 52.686 53.050 -0.019 0.000 0.928 1096 N CB 1.476 40.113 38.487 0.250 0.000 1.160 1096 N HN 0.558 nan 8.380 nan 0.000 0.495 1097 L N 2.780 123.564 121.223 -0.730 0.000 2.325 1097 L HA 0.640 4.980 4.340 -0.000 0.000 0.278 1097 L C -0.694 175.581 176.870 -0.992 0.000 1.023 1097 L CA -0.670 53.702 54.840 -0.779 0.000 0.811 1097 L CB 0.920 42.352 42.059 -1.047 0.000 1.249 1097 L HN 0.331 nan 8.230 nan 0.000 0.431 1098 F N -0.747 119.120 119.950 -0.139 0.000 2.650 1098 F HA 0.424 4.951 4.527 -0.000 0.000 0.320 1098 F C 1.005 176.861 175.800 0.094 0.000 1.091 1098 F CA -0.767 57.216 58.000 -0.028 0.000 0.962 1098 F CB 1.127 40.125 39.000 -0.004 0.000 1.363 1098 F HN 0.372 nan 8.300 nan 0.000 0.482 1099 H N -0.563 118.775 119.070 0.447 0.000 2.355 1099 H HA 0.180 4.736 4.556 -0.000 0.000 0.303 1099 H C -0.037 175.411 175.328 0.200 0.000 1.061 1099 H CA 0.986 57.189 56.048 0.258 0.000 1.368 1099 H CB 0.382 30.227 29.762 0.138 0.000 1.412 1099 H HN 0.426 nan 8.280 nan 0.000 0.523 1100 E N 0.282 120.637 120.200 0.258 0.000 2.316 1100 E HA 0.539 4.888 4.350 -0.000 0.000 0.258 1100 E C -0.097 176.429 176.600 -0.122 0.000 0.952 1100 E CA -1.003 55.438 56.400 0.069 0.000 0.818 1100 E CB 1.860 31.570 29.700 0.017 0.000 1.260 1100 E HN 0.149 nan 8.360 nan 0.000 0.416 1101 A N 0.918 123.496 122.820 -0.403 0.000 2.492 1101 A HA 0.357 4.677 4.320 -0.000 0.000 0.236 1101 A C 0.004 177.308 177.584 -0.466 0.000 1.078 1101 A CA 0.276 51.806 52.037 -0.845 0.000 0.773 1101 A CB -0.004 18.596 19.000 -0.666 0.000 1.023 1101 A HN 0.522 nan 8.150 nan 0.000 0.504 1102 I N 1.003 121.327 120.570 -0.409 0.000 2.841 1102 I HA 0.529 4.699 4.170 -0.000 0.000 0.298 1102 I C -2.489 173.605 176.117 -0.039 0.000 1.304 1102 I CA -1.817 59.338 61.300 -0.241 0.000 1.019 1102 I CB 2.395 40.092 38.000 -0.505 0.000 1.282 1102 I HN 0.576 nan 8.210 nan 0.000 0.432 1103 P HA 0.175 nan 4.420 nan 0.000 0.269 1103 P C -1.111 176.186 177.300 -0.006 0.000 1.209 1103 P CA 0.038 63.123 63.100 -0.025 0.000 0.776 1103 P CB 0.294 31.946 31.700 -0.079 0.000 0.876 1104 D N 2.726 123.063 120.400 -0.106 0.000 2.478 1104 D HA 0.067 4.707 4.640 -0.000 0.000 0.234 1104 D C -1.686 174.234 176.300 -0.633 0.000 1.154 1104 D CA -0.317 53.426 54.000 -0.429 0.000 0.874 1104 D CB -0.540 40.016 40.800 -0.408 0.000 1.198 1104 D HN 0.335 nan 8.370 nan 0.000 0.455 1105 P HA 0.050 nan 4.420 nan 0.000 0.276 1105 P C 0.504 177.211 177.300 -0.988 0.000 1.252 1105 P CA -0.374 62.047 63.100 -1.133 0.000 0.802 1105 P CB 0.912 31.372 31.700 -2.066 0.000 1.035 1106 S N 0.684 115.964 115.700 -0.700 0.000 2.400 1106 S HA -0.127 4.343 4.470 -0.000 0.000 0.232 1106 S C 1.426 175.810 174.600 -0.362 0.000 1.025 1106 S CA 0.674 58.623 58.200 -0.418 0.000 0.993 1106 S CB -1.164 61.910 63.200 -0.209 0.000 0.808 1106 S HN 0.716 nan 8.310 nan 0.000 0.478 1107 W N 2.634 123.780 121.300 -0.257 0.000 3.405 1107 W HA 0.355 5.015 4.660 -0.000 0.000 0.300 1107 W C 0.991 177.288 176.519 -0.369 0.000 1.286 1107 W CA 0.046 57.268 57.345 -0.205 0.000 1.762 1107 W CB -0.626 28.822 29.460 -0.020 0.000 1.087 1107 W HN 0.456 nan 8.180 nan 0.000 0.703 1108 K N 0.690 120.687 120.400 -0.671 0.000 2.442 1108 K HA -0.151 4.168 4.320 -0.000 0.000 0.198 1108 K C 0.770 177.122 176.600 -0.413 0.000 1.044 1108 K CA 1.828 57.562 56.287 -0.922 0.000 0.948 1108 K CB -0.264 31.345 32.500 -1.485 0.000 0.762 1108 K HN -0.129 nan 8.250 nan 0.000 0.472 1109 D N -0.295 119.954 120.400 -0.253 0.000 2.441 1109 D HA 0.058 4.698 4.640 -0.000 0.000 0.210 1109 D C 0.828 177.049 176.300 -0.133 0.000 1.102 1109 D CA 0.390 54.303 54.000 -0.145 0.000 0.840 1109 D CB 0.566 41.294 40.800 -0.120 0.000 0.990 1109 D HN 0.221 nan 8.370 nan 0.000 0.505 1110 T N 0.741 115.192 114.554 -0.172 0.000 2.770 1110 T HA -0.020 4.329 4.350 -0.000 0.000 0.258 1110 T C 1.442 175.776 174.700 -0.611 0.000 1.039 1110 T CA 0.654 62.549 62.100 -0.342 0.000 1.143 1110 T CB -0.103 68.554 68.868 -0.351 0.000 0.866 1110 T HN 0.063 nan 8.240 nan 0.000 0.428 1111 V N 1.167 120.769 119.914 -0.520 0.000 3.376 1111 V HA 0.264 4.384 4.120 -0.000 0.000 0.303 1111 V C 0.282 176.359 176.094 -0.030 0.000 1.100 1111 V CA -1.147 60.915 62.300 -0.396 0.000 1.126 1111 V CB -0.165 31.632 31.823 -0.043 0.000 1.085 1111 V HN 0.123 nan 8.190 nan 0.000 0.480 1112 L N 2.811 124.131 121.223 0.161 0.000 2.331 1112 L HA 0.470 4.810 4.340 -0.000 0.000 0.278 1112 L C 1.404 178.414 176.870 0.235 0.000 1.106 1112 L CA 1.187 56.137 54.840 0.183 0.000 0.824 1112 L CB -0.322 41.852 42.059 0.192 0.000 1.142 1112 L HN 1.284 nan 8.230 nan 0.000 0.443 1113 G N 3.376 112.291 108.800 0.192 0.000 2.356 1113 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.296 1113 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.296 1113 G C 0.113 175.171 174.900 0.264 0.000 1.022 1113 G CA 0.113 45.334 45.100 0.201 0.000 0.961 1113 G HN 0.599 nan 8.290 nan 0.000 0.510 1114 F N 1.035 121.060 119.950 0.124 0.000 2.608 1114 F HA 0.503 5.030 4.527 -0.000 0.000 0.380 1114 F C 0.866 176.721 175.800 0.091 0.000 1.083 1114 F CA 0.171 58.240 58.000 0.115 0.000 1.266 1114 F CB 0.496 39.464 39.000 -0.055 0.000 1.076 1114 F HN 0.558 nan 8.300 nan 0.000 0.574 1115 R N 3.737 123.819 120.500 -0.697 0.000 2.781 1115 R HA 0.522 4.861 4.340 -0.000 0.000 0.268 1115 R C -1.592 174.396 176.300 -0.520 0.000 1.047 1115 R CA -1.314 54.483 56.100 -0.505 0.000 0.925 1115 R CB 0.407 30.627 30.300 -0.134 0.000 1.246 1115 R HN 0.267 nan 8.270 nan 0.000 0.456 1116 K N 0.770 121.042 120.400 -0.213 0.000 2.087 1116 K HA 0.426 4.745 4.320 -0.000 0.000 0.255 1116 K C -0.034 176.548 176.600 -0.030 0.000 0.988 1116 K CA -0.641 55.605 56.287 -0.068 0.000 0.915 1116 K CB 0.985 33.483 32.500 -0.003 0.000 1.043 1116 K HN 0.452 nan 8.250 nan 0.000 0.457 1117 L N 1.464 122.675 121.223 -0.020 0.000 2.439 1117 L HA 0.114 4.453 4.340 -0.000 0.000 0.269 1117 L C 1.108 177.986 176.870 0.014 0.000 1.179 1117 L CA -0.119 54.741 54.840 0.033 0.000 0.828 1117 L CB 0.552 42.666 42.059 0.093 0.000 1.106 1117 L HN 0.770 nan 8.230 nan 0.000 0.467 1118 T N -1.510 113.056 114.554 0.019 0.000 2.944 1118 T HA 0.360 4.710 4.350 -0.000 0.000 0.284 1118 T C -1.761 172.956 174.700 0.028 0.000 1.010 1118 T CA -1.912 60.197 62.100 0.015 0.000 1.025 1118 T CB 1.671 70.532 68.868 -0.013 0.000 1.079 1118 T HN 0.376 nan 8.240 nan 0.000 0.516 1119 P HA -0.154 nan 4.420 nan 0.000 0.216 1119 P C 1.574 178.882 177.300 0.012 0.000 1.153 1119 P CA 1.118 64.237 63.100 0.031 0.000 0.858 1119 P CB 0.053 31.770 31.700 0.027 0.000 0.789 1120 R N 0.388 120.884 120.500 -0.006 0.000 2.096 1120 R HA -0.165 4.174 4.340 -0.000 0.000 0.240 1120 R C 2.294 178.564 176.300 -0.049 0.000 1.139 1120 R CA 1.591 57.674 56.100 -0.029 0.000 0.952 1120 R CB -0.920 29.359 30.300 -0.034 0.000 0.854 1120 R HN 0.413 nan 8.270 nan 0.000 0.436 1121 E N 0.708 120.894 120.200 -0.023 0.000 2.077 1121 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 1121 E C 2.176 178.768 176.600 -0.013 0.000 0.989 1121 E CA 0.956 57.349 56.400 -0.011 0.000 0.800 1121 E CB -0.171 29.591 29.700 0.104 0.000 0.746 1121 E HN 0.265 nan 8.360 nan 0.000 0.452 1122 L N 1.248 122.505 121.223 0.057 0.000 2.131 1122 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 1122 L C 1.777 178.671 176.870 0.039 0.000 1.092 1122 L CA 0.738 55.645 54.840 0.113 0.000 0.759 1122 L CB -0.348 41.783 42.059 0.121 0.000 0.903 1122 L HN 0.089 nan 8.230 nan 0.000 0.435 1123 D N 0.064 120.444 120.400 -0.033 0.000 2.221 1123 D HA -0.188 4.452 4.640 -0.000 0.000 0.204 1123 D C 2.218 178.417 176.300 -0.168 0.000 0.982 1123 D CA 1.268 55.228 54.000 -0.067 0.000 0.857 1123 D CB -0.096 40.666 40.800 -0.063 0.000 0.934 1123 D HN 0.397 nan 8.370 nan 0.000 0.475 1124 M N -0.696 118.691 119.600 -0.354 0.000 2.460 1124 M HA -0.055 4.425 4.480 -0.000 0.000 0.263 1124 M C -0.073 175.716 176.300 -0.852 0.000 1.071 1124 M CA 0.819 55.702 55.300 -0.694 0.000 1.096 1124 M CB 0.074 32.032 32.600 -1.070 0.000 1.408 1124 M HN -0.134 nan 8.290 nan 0.000 0.463 1125 F N -1.021 118.909 119.950 -0.034 0.000 2.660 1125 F HA 0.359 4.886 4.527 -0.000 0.000 0.352 1125 F C -2.026 173.838 175.800 0.105 0.000 1.257 1125 F CA -2.460 55.565 58.000 0.043 0.000 1.200 1125 F CB -0.042 38.976 39.000 0.029 0.000 1.473 1125 F HN -0.170 nan 8.300 nan 0.000 0.561 1126 P HA -0.117 nan 4.420 nan 0.000 0.220 1126 P C 0.739 178.084 177.300 0.074 0.000 1.148 1126 P CA 1.304 64.460 63.100 0.095 0.000 0.803 1126 P CB 0.301 32.026 31.700 0.042 0.000 0.782 1127 D N -2.684 117.749 120.400 0.054 0.000 2.371 1127 D HA -0.035 4.604 4.640 -0.000 0.000 0.221 1127 D C -0.054 175.989 176.300 -0.428 0.000 0.986 1127 D CA 0.913 54.790 54.000 -0.205 0.000 0.899 1127 D CB -0.316 40.282 40.800 -0.336 0.000 0.902 1127 D HN 0.280 nan 8.370 nan 0.000 0.530 1128 Y N -1.890 118.508 120.300 0.164 0.000 2.512 1128 Y HA 0.562 5.112 4.550 -0.000 0.000 0.348 1128 Y C 1.170 177.165 175.900 0.159 0.000 0.990 1128 Y CA -1.136 57.049 58.100 0.141 0.000 1.033 1128 Y CB 2.549 41.006 38.460 -0.006 0.000 1.259 1128 Y HN -0.221 nan 8.280 nan 0.000 0.461 1129 G N 0.438 109.434 108.800 0.327 0.000 3.596 1129 G HA2 0.221 4.181 3.960 -0.000 0.000 0.274 1129 G HA3 0.221 4.181 3.960 -0.000 0.000 0.274 1129 G C -1.315 173.795 174.900 0.351 0.000 1.007 1129 G CA 0.135 45.399 45.100 0.274 0.000 0.825 1129 G HN 0.492 nan 8.290 nan 0.000 0.508 1130 Y N -0.628 119.792 120.300 0.201 0.000 2.565 1130 Y HA 0.555 5.105 4.550 -0.000 0.000 0.330 1130 Y C -0.140 175.882 175.900 0.203 0.000 1.150 1130 Y CA -0.197 58.013 58.100 0.183 0.000 1.055 1130 Y CB 1.669 40.220 38.460 0.153 0.000 1.337 1130 Y HN 0.400 nan 8.280 nan 0.000 0.457 1131 G N 1.629 110.110 108.800 -0.531 0.000 2.322 1131 G HA2 0.365 4.325 3.960 -0.000 0.000 0.295 1131 G HA3 0.365 4.325 3.960 -0.000 0.000 0.295 1131 G C -2.330 172.456 174.900 -0.189 0.000 1.369 1131 G CA -0.936 43.993 45.100 -0.284 0.000 0.821 1131 G HN 0.485 nan 8.290 nan 0.000 0.536 1132 W N -0.972 120.404 121.300 0.127 0.000 2.762 1132 W HA 0.838 5.498 4.660 -0.000 0.000 0.355 1132 W C -0.955 175.659 176.519 0.159 0.000 1.124 1132 W CA -1.663 55.725 57.345 0.072 0.000 1.141 1132 W CB 1.468 31.093 29.460 0.275 0.000 1.432 1132 W HN 0.484 nan 8.180 nan 0.000 0.586 1133 F N 2.242 122.283 119.950 0.151 0.000 2.581 1133 F HA 0.488 5.014 4.527 -0.000 0.000 0.311 1133 F C -0.303 175.579 175.800 0.137 0.000 1.113 1133 F CA -0.330 57.673 58.000 0.006 0.000 0.935 1133 F CB 1.268 40.183 39.000 -0.140 0.000 1.232 1133 F HN 0.428 nan 8.300 nan 0.000 0.445 1134 H N 1.258 120.138 119.070 -0.317 0.000 2.917 1134 H HA 0.386 4.942 4.556 -0.000 0.000 0.299 1134 H C -2.025 173.265 175.328 -0.063 0.000 1.418 1134 H CA -0.997 55.081 56.048 0.050 0.000 1.138 1134 H CB 1.442 31.446 29.762 0.402 0.000 1.830 1134 H HN 0.438 nan 8.280 nan 0.000 0.514 1135 T N 1.486 116.187 114.554 0.245 0.000 2.786 1135 T HA 0.448 4.798 4.350 -0.000 0.000 0.283 1135 T C -0.143 174.787 174.700 0.383 0.000 0.992 1135 T CA -0.365 61.849 62.100 0.189 0.000 0.954 1135 T CB 1.544 70.523 68.868 0.184 0.000 0.934 1135 T HN 0.628 nan 8.240 nan 0.000 0.440 1136 S N 2.772 118.682 115.700 0.349 0.000 2.998 1136 S HA 0.868 5.337 4.470 -0.000 0.000 0.307 1136 S C -1.427 173.279 174.600 0.177 0.000 1.063 1136 S CA -0.725 57.722 58.200 0.413 0.000 0.895 1136 S CB 0.663 64.106 63.200 0.404 0.000 1.362 1136 S HN 0.560 nan 8.310 nan 0.000 0.657 1137 L N 1.350 122.623 121.223 0.082 0.000 2.388 1137 L HA 0.651 4.991 4.340 -0.000 0.000 0.264 1137 L C -1.162 175.564 176.870 -0.240 0.000 0.998 1137 L CA -0.654 54.076 54.840 -0.184 0.000 0.817 1137 L CB 1.942 43.773 42.059 -0.380 0.000 1.338 1137 L HN 0.552 nan 8.230 nan 0.000 0.414 1138 I N 2.950 123.212 120.570 -0.512 0.000 2.436 1138 I HA 0.297 4.467 4.170 -0.000 0.000 0.289 1138 I C -1.204 174.627 176.117 -0.476 0.000 1.010 1138 I CA -0.620 60.342 61.300 -0.563 0.000 1.098 1138 I CB 2.387 39.840 38.000 -0.912 0.000 1.266 1138 I HN 0.291 nan 8.210 nan 0.000 0.434 1139 L N 7.378 128.426 121.223 -0.290 0.000 2.356 1139 L HA 0.366 4.706 4.340 -0.000 0.000 0.264 1139 L C -0.140 176.640 176.870 -0.150 0.000 1.029 1139 L CA -0.169 54.515 54.840 -0.259 0.000 0.897 1139 L CB 0.699 42.555 42.059 -0.339 0.000 1.256 1139 L HN 0.449 nan 8.230 nan 0.000 0.444 1140 E N 3.078 123.240 120.200 -0.064 0.000 2.406 1140 E HA 0.084 4.434 4.350 -0.000 0.000 0.258 1140 E C 1.083 177.720 176.600 0.062 0.000 1.043 1140 E CA 0.487 56.898 56.400 0.018 0.000 0.929 1140 E CB 0.834 30.584 29.700 0.085 0.000 0.969 1140 E HN 0.849 nan 8.360 nan 0.000 0.462 1141 G N 4.097 112.930 108.800 0.055 0.000 2.469 1141 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.219 1141 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.219 1141 G C 1.419 176.396 174.900 0.129 0.000 1.150 1141 G CA 0.694 45.854 45.100 0.100 0.000 0.763 1141 G HN 0.450 nan 8.290 nan 0.000 0.561 1142 K N 0.184 120.643 120.400 0.099 0.000 2.103 1142 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 1142 K C 2.366 179.031 176.600 0.110 0.000 1.048 1142 K CA 1.572 57.916 56.287 0.094 0.000 0.930 1142 K CB -0.131 32.413 32.500 0.073 0.000 0.716 1142 K HN 0.376 nan 8.250 nan 0.000 0.444 1143 N N -0.943 117.832 118.700 0.125 0.000 2.251 1143 N HA -0.123 4.617 4.740 -0.000 0.000 0.181 1143 N C 1.476 177.114 175.510 0.214 0.000 1.019 1143 N CA 0.638 53.772 53.050 0.140 0.000 0.862 1143 N CB -0.204 38.353 38.487 0.116 0.000 0.992 1143 N HN 0.124 nan 8.380 nan 0.000 0.429 1144 Y N 1.375 121.719 120.300 0.073 0.000 2.128 1144 Y HA -0.122 4.428 4.550 -0.000 0.000 0.284 1144 Y C 1.809 177.822 175.900 0.187 0.000 1.154 1144 Y CA 1.111 59.277 58.100 0.110 0.000 1.149 1144 Y CB -0.463 38.011 38.460 0.022 0.000 0.976 1144 Y HN -0.017 nan 8.280 nan 0.000 0.505 1145 L N 0.224 121.515 121.223 0.113 0.000 2.079 1145 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 1145 L C 2.499 179.403 176.870 0.058 0.000 1.081 1145 L CA 1.971 56.841 54.840 0.050 0.000 0.752 1145 L CB -1.311 40.807 42.059 0.099 0.000 0.896 1145 L HN 0.287 nan 8.230 nan 0.000 0.433 1146 Q N -1.762 118.092 119.800 0.091 0.000 2.079 1146 Q HA -0.257 4.083 4.340 -0.000 0.000 0.200 1146 Q C 2.095 178.136 176.000 0.068 0.000 0.974 1146 Q CA 1.836 57.680 55.803 0.069 0.000 0.840 1146 Q CB -0.565 28.221 28.738 0.081 0.000 0.898 1146 Q HN 0.512 nan 8.270 nan 0.000 0.430 1147 W N 0.215 121.474 121.300 -0.069 0.000 2.333 1147 W HA -0.172 4.487 4.660 -0.000 0.000 0.316 1147 W C 1.560 178.004 176.519 -0.125 0.000 1.215 1147 W CA 1.793 59.087 57.345 -0.084 0.000 1.278 1147 W CB -0.440 28.991 29.460 -0.048 0.000 1.154 1147 W HN 0.205 nan 8.180 nan 0.000 0.486 1148 L N -0.337 120.821 121.223 -0.109 0.000 1.989 1148 L HA -0.303 4.037 4.340 -0.000 0.000 0.211 1148 L C 2.454 179.205 176.870 -0.198 0.000 1.071 1148 L CA 2.064 56.762 54.840 -0.237 0.000 0.749 1148 L CB -1.581 40.383 42.059 -0.158 0.000 0.890 1148 L HN -0.057 nan 8.230 nan 0.000 0.431 1149 T N -0.186 114.305 114.554 -0.105 0.000 2.624 1149 T HA -0.269 4.080 4.350 -0.000 0.000 0.268 1149 T C 1.649 176.154 174.700 -0.325 0.000 1.041 1149 T CA 2.048 64.042 62.100 -0.176 0.000 1.159 1149 T CB -0.391 68.384 68.868 -0.156 0.000 0.863 1149 T HN 0.616 nan 8.240 nan 0.000 0.434 1150 E N 0.764 120.784 120.200 -0.301 0.000 2.208 1150 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 1150 E C 2.345 178.722 176.600 -0.372 0.000 0.988 1150 E CA 0.629 56.841 56.400 -0.313 0.000 0.828 1150 E CB -0.171 29.387 29.700 -0.235 0.000 0.763 1150 E HN 0.174 nan 8.360 nan 0.000 0.478 1151 R N 0.479 120.669 120.500 -0.517 0.000 2.073 1151 R HA -0.045 4.295 4.340 -0.000 0.000 0.234 1151 R C 2.153 178.241 176.300 -0.353 0.000 1.134 1151 R CA 0.950 56.727 56.100 -0.539 0.000 0.952 1151 R CB -0.580 29.215 30.300 -0.842 0.000 0.850 1151 R HN 0.209 nan 8.270 nan 0.000 0.433 1152 L N -0.185 120.868 121.223 -0.282 0.000 2.093 1152 L HA -0.088 4.251 4.340 -0.000 0.000 0.208 1152 L C 2.000 178.742 176.870 -0.213 0.000 1.085 1152 L CA 1.895 56.627 54.840 -0.181 0.000 0.755 1152 L CB -1.082 41.006 42.059 0.048 0.000 0.904 1152 L HN 0.223 nan 8.230 nan 0.000 0.435 1153 T N -0.042 114.343 114.554 -0.282 0.000 2.652 1153 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 1153 T C 1.552 176.122 174.700 -0.216 0.000 1.039 1153 T CA 1.622 63.555 62.100 -0.280 0.000 1.153 1153 T CB -0.246 68.425 68.868 -0.329 0.000 0.863 1153 T HN 0.580 nan 8.240 nan 0.000 0.428 1154 E N 1.240 121.309 120.200 -0.218 0.000 2.401 1154 E HA -0.137 4.213 4.350 -0.000 0.000 0.199 1154 E C 1.650 178.135 176.600 -0.191 0.000 1.023 1154 E CA 0.756 57.048 56.400 -0.180 0.000 0.859 1154 E CB -0.244 29.355 29.700 -0.168 0.000 0.780 1154 E HN 0.423 nan 8.360 nan 0.000 0.523 1155 R N -0.020 120.321 120.500 -0.265 0.000 2.359 1155 R HA 0.157 4.496 4.340 -0.000 0.000 0.231 1155 R C 0.881 176.980 176.300 -0.336 0.000 0.913 1155 R CA 0.384 56.244 56.100 -0.400 0.000 1.075 1155 R CB 0.746 30.599 30.300 -0.746 0.000 1.087 1155 R HN 0.346 nan 8.270 nan 0.000 0.515 1156 G N 0.780 109.475 108.800 -0.175 0.000 2.157 1156 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.248 1156 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.248 1156 G C 0.153 175.040 174.900 -0.022 0.000 0.979 1156 G CA -0.084 44.975 45.100 -0.067 0.000 0.650 1156 G HN 0.143 nan 8.290 nan 0.000 0.529 1157 V N 2.419 122.306 119.914 -0.046 0.000 2.427 1157 V HA 0.352 4.472 4.120 -0.000 0.000 0.268 1157 V C 0.563 176.767 176.094 0.183 0.000 1.046 1157 V CA -0.391 61.957 62.300 0.080 0.000 0.970 1157 V CB 1.268 33.150 31.823 0.099 0.000 1.001 1157 V HN 0.209 nan 8.190 nan 0.000 0.476 1158 K N 4.849 125.362 120.400 0.188 0.000 2.174 1158 K HA 0.519 4.839 4.320 -0.000 0.000 0.275 1158 K C -0.741 176.001 176.600 0.235 0.000 1.015 1158 K CA -0.102 56.259 56.287 0.123 0.000 0.933 1158 K CB 1.291 33.837 32.500 0.075 0.000 1.025 1158 K HN 0.467 nan 8.250 nan 0.000 0.463 1159 F N 2.078 121.819 119.950 -0.347 0.000 2.458 1159 F HA 0.420 4.947 4.527 -0.000 0.000 0.336 1159 F C -0.268 175.264 175.800 -0.447 0.000 1.114 1159 F CA -1.002 56.902 58.000 -0.160 0.000 0.987 1159 F CB 1.136 40.026 39.000 -0.184 0.000 1.130 1159 F HN 0.312 nan 8.300 nan 0.000 0.458 1160 F N 2.024 122.190 119.950 0.360 0.000 2.547 1160 F HA 0.292 4.819 4.527 -0.000 0.000 0.316 1160 F C -0.271 175.687 175.800 0.263 0.000 1.121 1160 F CA -0.916 57.199 58.000 0.191 0.000 0.911 1160 F CB 1.803 40.828 39.000 0.042 0.000 1.179 1160 F HN 0.263 nan 8.300 nan 0.000 0.443 1161 Q N 5.841 125.842 119.800 0.335 0.000 2.421 1161 Q HA 0.444 4.784 4.340 -0.000 0.000 0.242 1161 Q C -0.964 175.119 176.000 0.138 0.000 1.024 1161 Q CA -0.305 55.711 55.803 0.356 0.000 0.891 1161 Q CB 0.759 29.642 28.738 0.243 0.000 1.222 1161 Q HN 0.971 nan 8.270 nan 0.000 0.483 1162 R N 1.703 122.245 120.500 0.069 0.000 2.687 1162 R HA 0.431 4.771 4.340 -0.000 0.000 0.265 1162 R C -1.490 174.773 176.300 -0.062 0.000 1.048 1162 R CA -0.989 55.083 56.100 -0.047 0.000 0.884 1162 R CB 1.091 31.291 30.300 -0.167 0.000 1.258 1162 R HN 0.206 nan 8.270 nan 0.000 0.469 1163 K N 1.869 122.222 120.400 -0.079 0.000 2.201 1163 K HA 0.349 4.669 4.320 -0.000 0.000 0.278 1163 K C -0.873 175.682 176.600 -0.075 0.000 1.027 1163 K CA -0.652 55.581 56.287 -0.091 0.000 0.909 1163 K CB 1.693 34.129 32.500 -0.107 0.000 1.062 1163 K HN 0.426 nan 8.250 nan 0.000 0.465 1164 V N 4.981 124.862 119.914 -0.056 0.000 2.432 1164 V HA 0.064 4.184 4.120 -0.000 0.000 0.275 1164 V C 0.839 176.885 176.094 -0.080 0.000 1.043 1164 V CA -0.347 61.933 62.300 -0.033 0.000 0.925 1164 V CB 1.372 33.208 31.823 0.021 0.000 0.985 1164 V HN 0.886 nan 8.190 nan 0.000 0.466 1165 E N 2.578 122.733 120.200 -0.074 0.000 2.158 1165 E HA 0.032 4.382 4.350 -0.000 0.000 0.191 1165 E C 0.758 177.282 176.600 -0.127 0.000 0.982 1165 E CA 0.833 57.178 56.400 -0.092 0.000 0.823 1165 E CB 0.337 29.997 29.700 -0.067 0.000 0.766 1165 E HN 0.807 nan 8.360 nan 0.000 0.468 1166 S N -1.580 114.045 115.700 -0.124 0.000 2.587 1166 S HA 0.292 4.762 4.470 -0.000 0.000 0.269 1166 S C 0.256 174.793 174.600 -0.105 0.000 1.154 1166 S CA -0.750 57.340 58.200 -0.183 0.000 0.824 1166 S CB 0.014 63.166 63.200 -0.080 0.000 1.118 1166 S HN -0.136 nan 8.310 nan 0.000 0.462 1167 F N 1.908 121.879 119.950 0.035 0.000 2.126 1167 F HA -0.032 4.495 4.527 -0.000 0.000 0.299 1167 F C 2.650 178.465 175.800 0.024 0.000 1.096 1167 F CA 1.767 59.786 58.000 0.033 0.000 1.255 1167 F CB -0.787 38.237 39.000 0.040 0.000 0.997 1167 F HN 0.658 nan 8.300 nan 0.000 0.479 1168 E N 0.571 120.892 120.200 0.201 0.000 2.058 1168 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 1168 E C 2.055 178.704 176.600 0.082 0.000 0.997 1168 E CA 1.379 57.850 56.400 0.119 0.000 0.801 1168 E CB -1.027 28.722 29.700 0.083 0.000 0.746 1168 E HN 0.612 nan 8.360 nan 0.000 0.450 1169 E N 1.241 121.479 120.200 0.064 0.000 2.130 1169 E HA -0.178 4.171 4.350 -0.000 0.000 0.196 1169 E C 2.065 178.707 176.600 0.070 0.000 0.998 1169 E CA 1.571 58.000 56.400 0.048 0.000 0.806 1169 E CB 0.154 29.871 29.700 0.028 0.000 0.738 1169 E HN 0.112 nan 8.360 nan 0.000 0.459 1170 V N 0.750 120.725 119.914 0.102 0.000 2.649 1170 V HA -0.088 4.032 4.120 -0.000 0.000 0.248 1170 V C 2.377 178.514 176.094 0.072 0.000 1.054 1170 V CA 1.350 63.717 62.300 0.113 0.000 1.073 1170 V CB -0.216 31.689 31.823 0.137 0.000 0.699 1170 V HN 0.415 nan 8.190 nan 0.000 0.463 1171 A N 0.121 122.984 122.820 0.073 0.000 1.897 1171 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 1171 A C 2.262 179.866 177.584 0.034 0.000 1.181 1171 A CA 1.191 53.255 52.037 0.045 0.000 0.620 1171 A CB -0.418 18.610 19.000 0.047 0.000 0.821 1171 A HN 0.378 nan 8.150 nan 0.000 0.443 1172 R N 0.734 121.258 120.500 0.039 0.000 2.139 1172 R HA -0.161 4.179 4.340 -0.000 0.000 0.243 1172 R C 1.859 178.172 176.300 0.022 0.000 1.145 1172 R CA 1.723 57.839 56.100 0.027 0.000 0.976 1172 R CB -0.601 29.715 30.300 0.026 0.000 0.866 1172 R HN 0.908 nan 8.270 nan 0.000 0.449 1173 E N -2.021 118.197 120.200 0.030 0.000 2.442 1173 E HA 0.116 4.466 4.350 -0.000 0.000 0.195 1173 E C 0.739 177.350 176.600 0.018 0.000 1.030 1173 E CA 0.681 57.096 56.400 0.025 0.000 0.869 1173 E CB 0.335 30.058 29.700 0.038 0.000 0.857 1173 E HN 0.243 nan 8.360 nan 0.000 0.505 1174 G N 0.421 109.231 108.800 0.016 0.000 2.234 1174 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.153 1174 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.153 1174 G C 0.232 175.134 174.900 0.003 0.000 1.013 1174 G CA -0.353 44.753 45.100 0.009 0.000 0.712 1174 G HN 0.553 nan 8.290 nan 0.000 0.491 1175 A N 0.570 123.388 122.820 -0.003 0.000 2.488 1175 A HA 0.544 4.864 4.320 -0.000 0.000 0.249 1175 A C 1.142 178.721 177.584 -0.009 0.000 1.083 1175 A CA 0.841 52.868 52.037 -0.016 0.000 0.768 1175 A CB 0.316 19.294 19.000 -0.036 0.000 1.017 1175 A HN 0.209 nan 8.150 nan 0.000 0.496 1176 D N 1.148 121.546 120.400 -0.003 0.000 2.197 1176 D HA 0.048 4.688 4.640 -0.000 0.000 0.212 1176 D C 0.201 176.495 176.300 -0.009 0.000 0.963 1176 D CA 1.350 55.346 54.000 -0.006 0.000 0.864 1176 D CB 0.128 40.929 40.800 0.001 0.000 1.009 1176 D HN 0.299 nan 8.370 nan 0.000 0.479 1177 V N 1.649 121.572 119.914 0.015 0.000 2.604 1177 V HA 0.382 4.502 4.120 -0.000 0.000 0.305 1177 V C -0.115 175.963 176.094 -0.026 0.000 1.043 1177 V CA -0.676 61.634 62.300 0.017 0.000 0.888 1177 V CB 2.585 34.496 31.823 0.147 0.000 0.995 1177 V HN -0.054 nan 8.190 nan 0.000 0.429 1178 I N 4.220 124.747 120.570 -0.071 0.000 2.389 1178 I HA 0.440 4.609 4.170 -0.000 0.000 0.288 1178 I C -0.696 175.359 176.117 -0.104 0.000 0.999 1178 I CA -0.756 60.494 61.300 -0.083 0.000 1.129 1178 I CB 2.062 40.016 38.000 -0.076 0.000 1.288 1178 I HN 0.300 nan 8.210 nan 0.000 0.444 1179 V N 5.294 125.167 119.914 -0.069 0.000 2.333 1179 V HA 0.243 4.363 4.120 -0.000 0.000 0.274 1179 V C 0.035 176.142 176.094 0.022 0.000 1.028 1179 V CA -0.695 61.574 62.300 -0.051 0.000 0.851 1179 V CB 1.231 33.015 31.823 -0.065 0.000 1.000 1179 V HN 0.643 nan 8.190 nan 0.000 0.456 1180 N N 4.070 122.815 118.700 0.075 0.000 2.469 1180 N HA 0.228 4.967 4.740 -0.000 0.000 0.239 1180 N C -0.292 175.397 175.510 0.297 0.000 1.053 1180 N CA -0.295 52.905 53.050 0.250 0.000 0.937 1180 N CB 0.492 39.241 38.487 0.436 0.000 1.163 1180 N HN 0.691 nan 8.380 nan 0.000 0.509 1181 C N 2.408 121.836 119.300 0.212 0.000 2.808 1181 C HA 0.233 4.693 4.460 -0.000 0.000 0.261 1181 C C 1.412 176.519 174.990 0.194 0.000 1.574 1181 C CA -0.638 58.508 59.018 0.214 0.000 1.611 1181 C CB -1.533 26.279 27.740 0.119 0.000 2.726 1181 C HN 0.762 nan 8.230 nan 0.000 0.528 1182 T N -1.721 112.958 114.554 0.207 0.000 3.272 1182 T HA 0.413 4.763 4.350 -0.000 0.000 0.250 1182 T C 1.392 176.268 174.700 0.292 0.000 1.082 1182 T CA 0.651 62.868 62.100 0.195 0.000 0.968 1182 T CB -0.002 68.941 68.868 0.126 0.000 1.015 1182 T HN 0.937 nan 8.240 nan 0.000 0.563 1183 G N 1.545 110.509 108.800 0.274 0.000 2.627 1183 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.312 1183 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.312 1183 G C 0.951 175.907 174.900 0.094 0.000 1.299 1183 G CA 0.241 45.486 45.100 0.242 0.000 0.989 1183 G HN 0.567 nan 8.290 nan 0.000 0.547 1184 V N 0.741 120.581 119.914 -0.123 0.000 2.867 1184 V HA -0.018 4.102 4.120 -0.000 0.000 0.260 1184 V C 2.043 178.002 176.094 -0.226 0.000 1.099 1184 V CA 2.402 64.516 62.300 -0.310 0.000 1.122 1184 V CB -0.430 31.014 31.823 -0.632 0.000 0.708 1184 V HN 0.569 nan 8.190 nan 0.000 0.490 1185 W N -0.837 120.519 121.300 0.093 0.000 3.345 1185 W HA 0.265 4.925 4.660 -0.000 0.000 0.282 1185 W C 2.151 178.606 176.519 -0.107 0.000 1.302 1185 W CA 0.337 57.695 57.345 0.023 0.000 1.724 1185 W CB -0.697 28.756 29.460 -0.012 0.000 1.104 1185 W HN 0.407 nan 8.180 nan 0.000 0.694 1186 A N 1.047 123.826 122.820 -0.068 0.000 1.978 1186 A HA -0.116 4.203 4.320 -0.000 0.000 0.220 1186 A C 2.375 179.832 177.584 -0.211 0.000 1.170 1186 A CA 2.077 53.924 52.037 -0.318 0.000 0.636 1186 A CB -1.163 17.145 19.000 -1.154 0.000 0.810 1186 A HN 0.276 nan 8.150 nan 0.000 0.448 1187 G N -0.705 108.020 108.800 -0.126 0.000 2.448 1187 G HA2 0.029 3.989 3.960 -0.000 0.000 0.219 1187 G HA3 0.029 3.989 3.960 -0.000 0.000 0.219 1187 G C 1.561 176.425 174.900 -0.060 0.000 1.127 1187 G CA 1.165 46.230 45.100 -0.059 0.000 0.766 1187 G HN 0.824 nan 8.290 nan 0.000 0.552 1188 A N 0.047 122.828 122.820 -0.064 0.000 2.067 1188 A HA 0.238 4.558 4.320 -0.000 0.000 0.219 1188 A C 2.266 179.764 177.584 -0.144 0.000 1.158 1188 A CA 0.887 52.870 52.037 -0.090 0.000 0.661 1188 A CB -0.153 18.802 19.000 -0.074 0.000 0.801 1188 A HN 0.393 nan 8.150 nan 0.000 0.452 1189 L N -2.319 118.784 121.223 -0.199 0.000 2.357 1189 L HA 0.185 4.525 4.340 -0.000 0.000 0.211 1189 L C 1.150 177.873 176.870 -0.244 0.000 1.075 1189 L CA 0.361 54.966 54.840 -0.392 0.000 0.830 1189 L CB 0.248 41.833 42.059 -0.791 0.000 0.996 1189 L HN 0.457 nan 8.230 nan 0.000 0.467 1190 Q N 0.611 120.379 119.800 -0.052 0.000 2.374 1190 Q HA 0.194 4.534 4.340 -0.000 0.000 0.250 1190 Q C -0.762 175.266 176.000 0.047 0.000 0.918 1190 Q CA -0.623 55.231 55.803 0.085 0.000 0.778 1190 Q CB 1.415 30.329 28.738 0.294 0.000 1.328 1190 Q HN 0.027 nan 8.270 nan 0.000 0.445 1191 R N 2.610 123.130 120.500 0.032 0.000 2.912 1191 R HA -0.132 4.208 4.340 -0.000 0.000 0.308 1191 R C -0.998 175.333 176.300 0.051 0.000 0.787 1191 R CA 1.167 57.285 56.100 0.031 0.000 1.117 1191 R CB 0.109 30.427 30.300 0.030 0.000 0.893 1191 R HN 0.549 nan 8.270 nan 0.000 0.401 1192 D N 5.884 126.316 120.400 0.054 0.000 2.421 1192 D HA 0.208 4.848 4.640 -0.000 0.000 0.254 1192 D C -1.671 174.677 176.300 0.081 0.000 1.238 1192 D CA -1.838 52.213 54.000 0.084 0.000 0.919 1192 D CB 1.550 42.431 40.800 0.135 0.000 1.152 1192 D HN 0.263 nan 8.370 nan 0.000 0.552 1193 P HA 0.032 nan 4.420 nan 0.000 0.233 1193 P C 1.349 178.693 177.300 0.072 0.000 1.167 1193 P CA 0.216 63.355 63.100 0.065 0.000 0.770 1193 P CB 0.694 32.425 31.700 0.053 0.000 0.837 1194 L N -1.412 119.860 121.223 0.082 0.000 2.529 1194 L HA 0.138 4.478 4.340 -0.000 0.000 0.223 1194 L C 0.986 177.916 176.870 0.100 0.000 1.113 1194 L CA -0.216 54.674 54.840 0.084 0.000 0.861 1194 L CB -0.054 42.051 42.059 0.077 0.000 1.012 1194 L HN 0.001 nan 8.230 nan 0.000 0.461 1195 L N 1.675 122.968 121.223 0.117 0.000 2.264 1195 L HA 0.322 4.661 4.340 -0.000 0.000 0.289 1195 L C -0.238 176.673 176.870 0.069 0.000 1.044 1195 L CA 0.162 55.074 54.840 0.120 0.000 0.807 1195 L CB 0.911 43.072 42.059 0.170 0.000 1.192 1195 L HN 0.127 nan 8.230 nan 0.000 0.425 1196 Q N 4.428 124.237 119.800 0.016 0.000 2.456 1196 Q HA 0.647 4.987 4.340 -0.000 0.000 0.284 1196 Q C -2.888 172.963 176.000 -0.248 0.000 1.061 1196 Q CA -2.394 53.363 55.803 -0.077 0.000 0.799 1196 Q CB 1.660 30.382 28.738 -0.026 0.000 1.445 1196 Q HN 0.324 nan 8.270 nan 0.000 0.411 1197 P HA 0.121 nan 4.420 nan 0.000 0.267 1197 P C -0.269 176.783 177.300 -0.413 0.000 1.205 1197 P CA 0.187 62.863 63.100 -0.707 0.000 0.765 1197 P CB 0.506 31.386 31.700 -1.367 0.000 0.828 1198 G N 3.266 111.833 108.800 -0.389 0.000 3.818 1198 G HA2 0.204 4.164 3.960 -0.000 0.000 0.338 1198 G HA3 0.204 4.164 3.960 -0.000 0.000 0.338 1198 G C -0.051 174.477 174.900 -0.619 0.000 1.318 1198 G CA -0.506 44.191 45.100 -0.671 0.000 1.242 1198 G HN 0.389 nan 8.290 nan 0.000 0.493 1199 R N 1.141 121.419 120.500 -0.370 0.000 2.585 1199 R HA 0.386 4.726 4.340 -0.000 0.000 0.275 1199 R C 0.313 176.440 176.300 -0.288 0.000 1.018 1199 R CA 0.525 56.484 56.100 -0.235 0.000 1.072 1199 R CB 0.427 30.692 30.300 -0.059 0.000 0.953 1199 R HN 0.394 nan 8.270 nan 0.000 0.419 1200 G N 2.175 110.814 108.800 -0.269 0.000 2.605 1200 G HA2 0.361 4.321 3.960 -0.000 0.000 0.296 1200 G HA3 0.361 4.321 3.960 -0.000 0.000 0.296 1200 G C -1.775 173.041 174.900 -0.140 0.000 1.304 1200 G CA -0.519 44.486 45.100 -0.158 0.000 0.941 1200 G HN 0.577 nan 8.290 nan 0.000 0.475 1201 Q N -0.683 119.070 119.800 -0.078 0.000 2.345 1201 Q HA 0.621 4.960 4.340 -0.000 0.000 0.275 1201 Q C -1.418 174.547 176.000 -0.059 0.000 1.063 1201 Q CA -0.782 54.980 55.803 -0.069 0.000 0.819 1201 Q CB 2.436 31.149 28.738 -0.042 0.000 1.356 1201 Q HN 0.738 nan 8.270 nan 0.000 0.418 1202 I N -0.742 119.802 120.570 -0.044 0.000 3.074 1202 I HA 0.673 4.843 4.170 -0.000 0.000 0.310 1202 I C -1.438 174.668 176.117 -0.019 0.000 1.153 1202 I CA -1.000 60.275 61.300 -0.042 0.000 0.993 1202 I CB 2.284 40.280 38.000 -0.007 0.000 1.237 1202 I HN 0.711 nan 8.210 nan 0.000 0.443 1203 M N 2.779 122.369 119.600 -0.017 0.000 2.263 1203 M HA 0.538 5.018 4.480 -0.000 0.000 0.295 1203 M C -1.520 174.796 176.300 0.027 0.000 1.028 1203 M CA -0.631 54.676 55.300 0.011 0.000 0.921 1203 M CB 1.617 34.219 32.600 0.003 0.000 1.601 1203 M HN 0.517 nan 8.290 nan 0.000 0.440 1204 K N 3.485 123.907 120.400 0.036 0.000 2.213 1204 K HA 0.650 4.969 4.320 -0.000 0.000 0.270 1204 K C -1.318 175.308 176.600 0.044 0.000 1.002 1204 K CA -0.513 55.794 56.287 0.034 0.000 0.868 1204 K CB 2.209 34.726 32.500 0.029 0.000 1.093 1204 K HN 0.531 nan 8.250 nan 0.000 0.454 1205 V N 1.363 121.298 119.914 0.034 0.000 3.040 1205 V HA 0.157 4.277 4.120 -0.000 0.000 0.312 1205 V C -1.122 174.964 176.094 -0.014 0.000 1.115 1205 V CA -0.887 61.441 62.300 0.046 0.000 0.998 1205 V CB 2.570 34.453 31.823 0.101 0.000 1.042 1205 V HN 0.727 nan 8.190 nan 0.000 0.433 1206 D N 3.220 123.615 120.400 -0.007 0.000 2.441 1206 D HA 0.634 5.274 4.640 -0.000 0.000 0.221 1206 D C -0.086 176.100 176.300 -0.189 0.000 1.156 1206 D CA 0.256 54.223 54.000 -0.055 0.000 0.896 1206 D CB 0.891 41.698 40.800 0.011 0.000 1.028 1206 D HN 0.750 nan 8.370 nan 0.000 0.509 1207 A N 4.738 127.311 122.820 -0.413 0.000 3.409 1207 A HA 0.317 4.637 4.320 -0.000 0.000 0.282 1207 A C -2.006 174.984 177.584 -0.991 0.000 1.064 1207 A CA -0.805 50.569 52.037 -1.106 0.000 0.889 1207 A CB 0.761 19.178 19.000 -0.973 0.000 1.251 1207 A HN 0.405 nan 8.150 nan 0.000 0.538 1208 P HA -0.100 nan 4.420 nan 0.000 0.234 1208 P C 0.935 178.204 177.300 -0.052 0.000 1.167 1208 P CA 0.670 63.660 63.100 -0.184 0.000 0.763 1208 P CB -0.315 31.377 31.700 -0.015 0.000 0.835 1209 W N -1.374 119.943 121.300 0.029 0.000 2.905 1209 W HA 0.233 4.893 4.660 -0.000 0.000 0.251 1209 W C 0.505 177.057 176.519 0.054 0.000 1.305 1209 W CA -0.281 57.085 57.345 0.035 0.000 1.465 1209 W CB -1.134 28.348 29.460 0.037 0.000 1.122 1209 W HN -0.308 nan 8.180 nan 0.000 0.659 1210 M N 2.873 122.314 119.600 -0.265 0.000 2.194 1210 M HA 0.129 4.609 4.480 -0.000 0.000 0.347 1210 M C 0.562 176.859 176.300 -0.005 0.000 1.439 1210 M CA 0.607 55.863 55.300 -0.074 0.000 1.131 1210 M CB 0.824 33.328 32.600 -0.159 0.000 1.733 1210 M HN 0.083 nan 8.290 nan 0.000 0.467 1211 K N 1.980 122.409 120.400 0.049 0.000 2.402 1211 K HA 0.211 4.531 4.320 -0.000 0.000 0.204 1211 K C -0.209 176.262 176.600 -0.215 0.000 1.056 1211 K CA 0.210 56.445 56.287 -0.086 0.000 1.069 1211 K CB 0.600 33.007 32.500 -0.156 0.000 0.888 1211 K HN 0.664 nan 8.250 nan 0.000 0.546 1212 H N -0.035 119.095 119.070 0.100 0.000 2.622 1212 H HA 0.337 4.893 4.556 -0.000 0.000 0.363 1212 H C -0.351 175.007 175.328 0.049 0.000 1.151 1212 H CA -0.994 55.058 56.048 0.007 0.000 1.184 1212 H CB 1.115 30.932 29.762 0.091 0.000 1.643 1212 H HN -0.079 nan 8.280 nan 0.000 0.531 1213 F N 0.303 120.340 119.950 0.145 0.000 2.380 1213 F HA 0.612 5.139 4.527 -0.000 0.000 0.325 1213 F C -0.552 175.325 175.800 0.129 0.000 1.136 1213 F CA -0.987 57.066 58.000 0.087 0.000 1.171 1213 F CB 0.481 39.479 39.000 -0.003 0.000 1.230 1213 F HN 0.259 nan 8.300 nan 0.000 0.554 1214 I N 3.699 124.456 120.570 0.312 0.000 2.531 1214 I HA 0.238 4.407 4.170 -0.000 0.000 0.283 1214 I C -1.343 174.825 176.117 0.084 0.000 1.083 1214 I CA -0.437 60.930 61.300 0.111 0.000 1.071 1214 I CB 1.582 39.547 38.000 -0.060 0.000 1.210 1214 I HN 0.519 nan 8.210 nan 0.000 0.450 1215 L N 5.644 126.909 121.223 0.070 0.000 2.287 1215 L HA 0.511 4.850 4.340 -0.000 0.000 0.287 1215 L C 0.565 177.215 176.870 -0.367 0.000 1.022 1215 L CA -0.446 54.356 54.840 -0.064 0.000 0.814 1215 L CB 1.843 43.919 42.059 0.030 0.000 1.217 1215 L HN 0.604 nan 8.230 nan 0.000 0.420 1216 T N -1.233 113.053 114.554 -0.447 0.000 2.934 1216 T HA 0.532 4.882 4.350 -0.000 0.000 0.283 1216 T C -0.279 174.004 174.700 -0.696 0.000 1.005 1216 T CA -0.625 61.099 62.100 -0.626 0.000 1.041 1216 T CB 1.741 70.304 68.868 -0.509 0.000 1.042 1216 T HN 0.466 nan 8.240 nan 0.000 0.505 1217 H N 0.399 119.255 119.070 -0.357 0.000 2.930 1217 H HA 0.598 5.154 4.556 -0.000 0.000 0.371 1217 H C -1.506 173.829 175.328 0.012 0.000 1.169 1217 H CA -0.560 55.389 56.048 -0.166 0.000 1.157 1217 H CB 2.365 31.995 29.762 -0.219 0.000 1.789 1217 H HN 0.781 nan 8.280 nan 0.000 0.547 1218 D N 2.470 122.992 120.400 0.203 0.000 2.548 1218 D HA 0.116 4.756 4.640 -0.000 0.000 0.214 1218 D C -2.031 174.351 176.300 0.138 0.000 1.345 1218 D CA -1.320 52.814 54.000 0.223 0.000 0.945 1218 D CB 1.977 42.923 40.800 0.244 0.000 1.499 1218 D HN 0.117 nan 8.370 nan 0.000 0.579 1219 P HA -0.125 nan 4.420 nan 0.000 0.219 1219 P C 0.831 178.151 177.300 0.034 0.000 1.146 1219 P CA 0.769 63.900 63.100 0.053 0.000 0.808 1219 P CB 0.495 32.224 31.700 0.049 0.000 0.779 1220 E N -0.467 119.767 120.200 0.057 0.000 2.401 1220 E HA -0.146 4.204 4.350 -0.000 0.000 0.199 1220 E C 1.841 178.459 176.600 0.031 0.000 1.023 1220 E CA 0.829 57.252 56.400 0.038 0.000 0.859 1220 E CB -0.117 29.608 29.700 0.042 0.000 0.780 1220 E HN 0.338 nan 8.360 nan 0.000 0.523 1221 R N -1.359 119.161 120.500 0.033 0.000 2.568 1221 R HA 0.211 4.551 4.340 -0.000 0.000 0.254 1221 R C 0.067 176.359 176.300 -0.013 0.000 0.925 1221 R CA 0.656 56.771 56.100 0.025 0.000 1.025 1221 R CB 1.335 31.665 30.300 0.050 0.000 1.428 1221 R HN 0.157 nan 8.270 nan 0.000 0.573 1222 G N 1.225 109.996 108.800 -0.049 0.000 2.629 1222 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.686 1222 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.686 1222 G C -0.884 173.892 174.900 -0.206 0.000 1.232 1222 G CA -0.516 44.489 45.100 -0.158 0.000 0.803 1222 G HN 0.149 nan 8.290 nan 0.000 0.638 1223 I N 1.242 121.587 120.570 -0.376 0.000 2.826 1223 I HA 0.319 4.489 4.170 -0.000 0.000 0.295 1223 I C 1.258 177.172 176.117 -0.340 0.000 1.213 1223 I CA 0.692 61.703 61.300 -0.482 0.000 1.436 1223 I CB -0.441 37.115 38.000 -0.739 0.000 1.348 1223 I HN 1.172 nan 8.210 nan 0.000 0.570 1224 Y N 3.136 123.456 120.300 0.034 0.000 4.236 1224 Y HA -0.317 4.233 4.550 -0.000 0.000 0.220 1224 Y C 1.020 177.056 175.900 0.227 0.000 1.115 1224 Y CA 1.192 59.413 58.100 0.203 0.000 1.811 1224 Y CB -2.648 36.022 38.460 0.350 0.000 1.581 1224 Y HN 0.714 nan 8.280 nan 0.000 0.643 1225 N N -0.600 118.221 118.700 0.201 0.000 2.320 1225 N HA 0.261 5.001 4.740 -0.000 0.000 0.237 1225 N C -0.135 175.439 175.510 0.105 0.000 1.129 1225 N CA 0.305 53.452 53.050 0.162 0.000 0.854 1225 N CB 0.369 38.919 38.487 0.106 0.000 1.083 1225 N HN 0.175 nan 8.380 nan 0.000 0.504 1226 S N 0.612 116.378 115.700 0.110 0.000 2.542 1226 S HA 0.491 4.961 4.470 -0.000 0.000 0.293 1226 S C -2.650 171.973 174.600 0.038 0.000 1.089 1226 S CA -1.849 56.386 58.200 0.059 0.000 0.961 1226 S CB 1.105 64.309 63.200 0.006 0.000 1.062 1226 S HN -0.029 nan 8.310 nan 0.000 0.483 1227 P HA 0.190 nan 4.420 nan 0.000 0.265 1227 P C -1.410 175.873 177.300 -0.028 0.000 1.193 1227 P CA 0.277 63.328 63.100 -0.080 0.000 0.765 1227 P CB -0.150 31.520 31.700 -0.049 0.000 0.823 1228 Y N 0.662 120.929 120.300 -0.055 0.000 2.571 1228 Y HA 0.768 5.317 4.550 -0.000 0.000 0.341 1228 Y C -1.302 174.577 175.900 -0.035 0.000 1.076 1228 Y CA -1.772 56.292 58.100 -0.059 0.000 1.029 1228 Y CB 1.044 39.474 38.460 -0.050 0.000 1.308 1228 Y HN 0.154 nan 8.280 nan 0.000 0.461 1229 I N 4.051 124.779 120.570 0.264 0.000 2.468 1229 I HA 0.461 4.631 4.170 -0.000 0.000 0.285 1229 I C -1.227 175.022 176.117 0.219 0.000 1.039 1229 I CA -0.657 60.744 61.300 0.169 0.000 1.074 1229 I CB 1.932 39.983 38.000 0.084 0.000 1.228 1229 I HN 0.588 nan 8.210 nan 0.000 0.436 1230 I N 7.794 128.479 120.570 0.192 0.000 2.448 1230 I HA 0.329 4.499 4.170 -0.000 0.000 0.281 1230 I C -2.499 173.695 176.117 0.128 0.000 1.027 1230 I CA -1.897 59.499 61.300 0.160 0.000 1.111 1230 I CB 1.824 39.873 38.000 0.082 0.000 1.236 1230 I HN 0.199 nan 8.210 nan 0.000 0.452 1231 P HA 0.122 nan 4.420 nan 0.000 0.267 1231 P C 0.201 177.617 177.300 0.193 0.000 1.209 1231 P CA 0.094 63.260 63.100 0.111 0.000 0.763 1231 P CB 0.855 32.613 31.700 0.098 0.000 0.816 1232 G N 1.052 109.934 108.800 0.136 0.000 2.753 1232 G HA2 0.289 4.249 3.960 -0.000 0.000 0.285 1232 G HA3 0.289 4.249 3.960 -0.000 0.000 0.285 1232 G C 0.970 175.902 174.900 0.054 0.000 1.344 1232 G CA -0.201 45.022 45.100 0.205 0.000 1.050 1232 G HN 0.367 nan 8.290 nan 0.000 0.532 1233 T N -1.340 113.226 114.554 0.020 0.000 2.777 1233 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 1233 T C 1.892 176.523 174.700 -0.114 0.000 1.040 1233 T CA 1.896 63.891 62.100 -0.175 0.000 1.141 1233 T CB -0.115 68.695 68.868 -0.096 0.000 0.868 1233 T HN 0.306 nan 8.240 nan 0.000 0.444 1234 Q N -0.377 119.396 119.800 -0.045 0.000 2.391 1234 Q HA 0.324 4.664 4.340 -0.000 0.000 0.243 1234 Q C 0.941 176.921 176.000 -0.034 0.000 0.874 1234 Q CA 0.395 56.176 55.803 -0.037 0.000 0.950 1234 Q CB 0.983 29.713 28.738 -0.014 0.000 1.103 1234 Q HN 0.454 nan 8.270 nan 0.000 0.544 1235 T N -0.719 113.821 114.554 -0.023 0.000 2.754 1235 T HA 0.579 4.929 4.350 -0.000 0.000 0.296 1235 T C -1.541 173.145 174.700 -0.023 0.000 1.205 1235 T CA -0.547 61.538 62.100 -0.026 0.000 1.009 1235 T CB 1.697 70.563 68.868 -0.003 0.000 1.368 1235 T HN -0.209 nan 8.240 nan 0.000 0.509 1236 V N 2.346 122.239 119.914 -0.034 0.000 2.495 1236 V HA 0.505 4.625 4.120 -0.000 0.000 0.298 1236 V C 0.246 176.348 176.094 0.013 0.000 1.031 1236 V CA -0.726 61.562 62.300 -0.021 0.000 0.871 1236 V CB 1.759 33.532 31.823 -0.084 0.000 0.988 1236 V HN 1.037 nan 8.190 nan 0.000 0.432 1237 T N 6.228 120.810 114.554 0.048 0.000 2.856 1237 T HA 0.583 4.933 4.350 -0.000 0.000 0.292 1237 T C -0.526 174.206 174.700 0.053 0.000 0.980 1237 T CA -0.197 61.941 62.100 0.063 0.000 1.091 1237 T CB 0.730 69.660 68.868 0.103 0.000 0.936 1237 T HN 0.204 nan 8.240 nan 0.000 0.503 1238 L N 3.005 124.224 121.223 -0.007 0.000 2.333 1238 L HA 0.787 5.127 4.340 -0.000 0.000 0.280 1238 L C 0.596 177.320 176.870 -0.244 0.000 1.004 1238 L CA 0.011 54.791 54.840 -0.100 0.000 0.820 1238 L CB 1.463 43.482 42.059 -0.067 0.000 1.247 1238 L HN 0.893 nan 8.230 nan 0.000 0.416 1239 G N 0.353 108.767 108.800 -0.644 0.000 2.911 1239 G HA2 0.621 4.581 3.960 -0.000 0.000 0.299 1239 G HA3 0.621 4.581 3.960 -0.000 0.000 0.299 1239 G C -0.166 174.124 174.900 -1.016 0.000 1.283 1239 G CA -0.161 44.392 45.100 -0.912 0.000 0.805 1239 G HN 0.906 nan 8.290 nan 0.000 0.548 1240 G N -1.156 107.218 108.800 -0.709 0.000 2.363 1240 G HA2 0.102 4.062 3.960 -0.000 0.000 0.213 1240 G HA3 0.102 4.062 3.960 -0.000 0.000 0.213 1240 G C -0.470 174.435 174.900 0.009 0.000 1.028 1240 G CA -0.265 44.696 45.100 -0.231 0.000 0.822 1240 G HN 0.612 nan 8.290 nan 0.000 0.536 1241 I N 0.991 121.592 120.570 0.051 0.000 2.389 1241 I HA 0.670 4.840 4.170 -0.000 0.000 0.288 1241 I C -1.130 175.105 176.117 0.196 0.000 0.999 1241 I CA -1.625 59.735 61.300 0.100 0.000 1.129 1241 I CB 1.275 39.287 38.000 0.021 0.000 1.288 1241 I HN 0.071 nan 8.210 nan 0.000 0.444 1242 F N 5.943 125.936 119.950 0.072 0.000 2.579 1242 F HA 0.464 4.990 4.527 -0.000 0.000 0.325 1242 F C -0.751 175.074 175.800 0.042 0.000 1.162 1242 F CA -0.322 57.724 58.000 0.076 0.000 0.946 1242 F CB 1.394 40.462 39.000 0.114 0.000 1.211 1242 F HN 0.421 nan 8.300 nan 0.000 0.447 1243 Q N 6.822 126.634 119.800 0.020 0.000 2.397 1243 Q HA 0.425 4.764 4.340 -0.000 0.000 0.260 1243 Q C -1.112 174.886 176.000 -0.003 0.000 1.002 1243 Q CA -0.626 55.230 55.803 0.088 0.000 0.716 1243 Q CB 2.419 31.182 28.738 0.041 0.000 1.258 1243 Q HN 0.627 nan 8.270 nan 0.000 0.477 1244 L N 1.543 122.844 121.223 0.130 0.000 2.499 1244 L HA 0.167 4.507 4.340 -0.000 0.000 0.273 1244 L C 1.317 178.176 176.870 -0.018 0.000 1.195 1244 L CA 1.042 55.919 54.840 0.062 0.000 0.882 1244 L CB 0.236 42.386 42.059 0.151 0.000 1.133 1244 L HN 1.065 nan 8.230 nan 0.000 0.483 1245 G N 2.295 111.021 108.800 -0.124 0.000 2.225 1245 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.254 1245 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.254 1245 G C 0.372 175.184 174.900 -0.147 0.000 0.988 1245 G CA -0.002 45.028 45.100 -0.117 0.000 0.625 1245 G HN 0.636 nan 8.290 nan 0.000 0.527 1246 N N 0.228 118.846 118.700 -0.136 0.000 2.401 1246 N HA 0.324 5.064 4.740 -0.000 0.000 0.255 1246 N C 0.266 175.740 175.510 -0.060 0.000 1.110 1246 N CA -0.587 52.449 53.050 -0.024 0.000 0.949 1246 N CB 0.130 38.640 38.487 0.038 0.000 1.110 1246 N HN 0.388 nan 8.380 nan 0.000 0.490 1247 W N 1.929 123.240 121.300 0.018 0.000 3.223 1247 W HA 0.220 4.880 4.660 -0.000 0.000 0.389 1247 W C 0.914 177.487 176.519 0.091 0.000 1.118 1247 W CA -0.496 56.759 57.345 -0.150 0.000 1.902 1247 W CB 0.376 29.712 29.460 -0.208 0.000 1.094 1247 W HN 0.406 nan 8.180 nan 0.000 0.666 1248 S N 1.654 117.614 115.700 0.433 0.000 2.405 1248 S HA 0.059 4.529 4.470 -0.000 0.000 0.291 1248 S C 0.105 174.975 174.600 0.449 0.000 1.137 1248 S CA -0.348 58.070 58.200 0.364 0.000 1.061 1248 S CB 0.274 63.603 63.200 0.215 0.000 1.001 1248 S HN 0.254 nan 8.310 nan 0.000 0.507 1249 E N 4.757 125.270 120.200 0.521 0.000 1.892 1249 E HA 0.371 4.721 4.350 -0.000 0.000 0.271 1249 E C -1.089 175.614 176.600 0.172 0.000 1.146 1249 E CA -0.336 56.288 56.400 0.374 0.000 1.096 1249 E CB 0.086 30.095 29.700 0.516 0.000 1.155 1249 E HN 0.568 nan 8.360 nan 0.000 0.458 1250 L N 3.722 125.004 121.223 0.099 0.000 2.751 1250 L HA 0.303 4.643 4.340 -0.000 0.000 0.261 1250 L C -1.578 175.317 176.870 0.042 0.000 0.927 1250 L CA -0.689 54.194 54.840 0.072 0.000 0.968 1250 L CB 1.560 43.672 42.059 0.089 0.000 1.432 1250 L HN 0.164 nan 8.230 nan 0.000 0.439 1251 N N 2.984 121.702 118.700 0.030 0.000 2.458 1251 N HA 0.090 4.829 4.740 -0.000 0.000 0.258 1251 N C -0.608 174.924 175.510 0.037 0.000 1.219 1251 N CA 0.273 53.341 53.050 0.030 0.000 0.902 1251 N CB 0.532 39.040 38.487 0.035 0.000 1.076 1251 N HN 0.667 nan 8.380 nan 0.000 0.455 1252 N N 2.002 120.729 118.700 0.046 0.000 2.392 1252 N HA 0.234 4.974 4.740 -0.000 0.000 0.283 1252 N C 1.281 176.831 175.510 0.067 0.000 1.003 1252 N CA -0.626 52.453 53.050 0.049 0.000 0.892 1252 N CB 0.828 39.346 38.487 0.050 0.000 1.193 1252 N HN 0.266 nan 8.380 nan 0.000 0.487 1253 I N 1.903 122.497 120.570 0.040 0.000 2.151 1253 I HA -0.261 3.908 4.170 -0.000 0.000 0.243 1253 I C 1.813 177.986 176.117 0.095 0.000 1.080 1253 I CA 1.472 62.793 61.300 0.035 0.000 1.339 1253 I CB -0.883 37.109 38.000 -0.014 0.000 1.039 1253 I HN 0.717 nan 8.210 nan 0.000 0.409 1254 Q N 0.814 120.657 119.800 0.073 0.000 2.096 1254 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 1254 Q C 1.912 177.968 176.000 0.093 0.000 0.982 1254 Q CA 1.726 57.576 55.803 0.079 0.000 0.850 1254 Q CB -0.327 28.447 28.738 0.060 0.000 0.901 1254 Q HN 0.483 nan 8.270 nan 0.000 0.422 1255 D N -1.497 118.956 120.400 0.087 0.000 2.144 1255 D HA -0.146 4.494 4.640 -0.000 0.000 0.200 1255 D C 1.731 178.085 176.300 0.091 0.000 0.978 1255 D CA 1.199 55.242 54.000 0.072 0.000 0.833 1255 D CB -0.336 40.492 40.800 0.048 0.000 0.961 1255 D HN 0.444 nan 8.370 nan 0.000 0.470 1256 H N 1.435 120.524 119.070 0.031 0.000 2.265 1256 H HA -0.121 4.435 4.556 -0.000 0.000 0.295 1256 H C 1.757 177.141 175.328 0.094 0.000 1.084 1256 H CA 2.188 58.262 56.048 0.044 0.000 1.261 1256 H CB 0.135 29.903 29.762 0.011 0.000 1.360 1256 H HN -0.024 nan 8.280 nan 0.000 0.487 1257 N N -0.417 118.443 118.700 0.267 0.000 2.120 1257 N HA -0.123 4.617 4.740 -0.000 0.000 0.188 1257 N C 1.899 177.503 175.510 0.156 0.000 1.024 1257 N CA 1.732 54.924 53.050 0.236 0.000 0.852 1257 N CB -0.652 37.948 38.487 0.189 0.000 1.003 1257 N HN 0.462 nan 8.380 nan 0.000 0.424 1258 T N 2.628 117.242 114.554 0.100 0.000 2.684 1258 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 1258 T C 2.002 176.716 174.700 0.023 0.000 1.036 1258 T CA 0.711 62.846 62.100 0.059 0.000 1.148 1258 T CB -0.107 68.789 68.868 0.046 0.000 0.863 1258 T HN 0.078 nan 8.240 nan 0.000 0.436 1259 I N 0.339 120.905 120.570 -0.006 0.000 2.099 1259 I HA -0.190 3.980 4.170 -0.000 0.000 0.239 1259 I C 2.291 178.390 176.117 -0.030 0.000 1.066 1259 I CA 1.289 62.551 61.300 -0.063 0.000 1.324 1259 I CB -1.421 36.520 38.000 -0.098 0.000 1.037 1259 I HN 0.519 nan 8.210 nan 0.000 0.401 1260 W N 1.926 123.119 121.300 -0.178 0.000 2.355 1260 W HA -0.246 4.414 4.660 -0.000 0.000 0.309 1260 W C 2.391 178.882 176.519 -0.048 0.000 1.206 1260 W CA 1.747 59.011 57.345 -0.136 0.000 1.284 1260 W CB -0.057 29.303 29.460 -0.167 0.000 1.145 1260 W HN 0.186 nan 8.180 nan 0.000 0.502 1261 E N -0.344 119.885 120.200 0.049 0.000 2.047 1261 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 1261 E C 2.472 179.026 176.600 -0.076 0.000 0.987 1261 E CA 1.925 58.315 56.400 -0.016 0.000 0.799 1261 E CB -1.057 28.688 29.700 0.074 0.000 0.752 1261 E HN 0.281 nan 8.360 nan 0.000 0.449 1262 G N -0.006 108.764 108.800 -0.050 0.000 2.459 1262 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.217 1262 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.217 1262 G C 1.748 176.599 174.900 -0.081 0.000 1.183 1262 G CA 1.177 46.252 45.100 -0.042 0.000 0.776 1262 G HN 0.377 nan 8.290 nan 0.000 0.552 1263 C N -0.104 119.105 119.300 -0.153 0.000 2.435 1263 C HA 0.016 4.476 4.460 -0.000 0.000 0.279 1263 C C 3.115 177.974 174.990 -0.218 0.000 1.321 1263 C CA 0.403 59.316 59.018 -0.174 0.000 1.752 1263 C CB -1.216 26.403 27.740 -0.202 0.000 1.959 1263 C HN 0.595 nan 8.230 nan 0.000 0.500 1264 C N 0.025 119.118 119.300 -0.345 0.000 2.446 1264 C HA -0.062 4.398 4.460 -0.000 0.000 0.277 1264 C C 2.884 177.796 174.990 -0.131 0.000 1.275 1264 C CA 0.879 59.704 59.018 -0.322 0.000 1.727 1264 C CB -1.200 26.254 27.740 -0.477 0.000 2.010 1264 C HN 0.561 nan 8.230 nan 0.000 0.486 1265 R N 0.776 121.228 120.500 -0.081 0.000 2.091 1265 R HA -0.049 4.291 4.340 -0.000 0.000 0.238 1265 R C 2.041 178.367 176.300 0.043 0.000 1.136 1265 R CA 1.316 57.413 56.100 -0.005 0.000 0.959 1265 R CB -0.798 29.512 30.300 0.018 0.000 0.856 1265 R HN 0.528 nan 8.270 nan 0.000 0.437 1266 L N -0.798 120.452 121.223 0.044 0.000 2.056 1266 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 1266 L C 0.024 176.974 176.870 0.133 0.000 1.078 1266 L CA 1.165 56.071 54.840 0.110 0.000 0.749 1266 L CB 0.120 42.201 42.059 0.037 0.000 0.901 1266 L HN 0.158 nan 8.230 nan 0.000 0.433 1267 E N -1.296 118.935 120.200 0.053 0.000 2.580 1267 E HA 0.200 4.550 4.350 -0.000 0.000 0.248 1267 E C -2.033 174.580 176.600 0.022 0.000 1.018 1267 E CA -1.787 54.654 56.400 0.068 0.000 0.775 1267 E CB 1.299 31.054 29.700 0.091 0.000 1.378 1267 E HN -0.074 nan 8.360 nan 0.000 0.401 1268 P HA -0.183 nan 4.420 nan 0.000 0.220 1268 P C 1.056 178.377 177.300 0.034 0.000 1.144 1268 P CA 1.548 64.650 63.100 0.003 0.000 0.800 1268 P CB 0.125 31.828 31.700 0.004 0.000 0.772 1269 T N -3.851 110.758 114.554 0.091 0.000 3.007 1269 T HA -0.080 4.270 4.350 -0.000 0.000 0.270 1269 T C 1.601 176.479 174.700 0.297 0.000 1.107 1269 T CA 0.572 62.773 62.100 0.168 0.000 1.118 1269 T CB -0.873 68.145 68.868 0.250 0.000 0.889 1269 T HN -0.105 nan 8.240 nan 0.000 0.506 1270 L N 0.672 121.995 121.223 0.166 0.000 2.275 1270 L HA 0.219 4.559 4.340 -0.000 0.000 0.215 1270 L C 2.427 179.323 176.870 0.044 0.000 1.119 1270 L CA 1.230 56.111 54.840 0.070 0.000 0.790 1270 L CB -1.014 40.942 42.059 -0.172 0.000 0.919 1270 L HN 0.182 nan 8.230 nan 0.000 0.443 1271 K N -0.243 120.180 120.400 0.037 0.000 2.127 1271 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 1271 K C 1.634 178.439 176.600 0.341 0.000 1.047 1271 K CA 1.453 57.842 56.287 0.170 0.000 0.927 1271 K CB -0.144 32.431 32.500 0.125 0.000 0.716 1271 K HN 0.264 nan 8.250 nan 0.000 0.450 1272 N N -0.240 118.623 118.700 0.271 0.000 2.353 1272 N HA 0.108 4.848 4.740 -0.000 0.000 0.185 1272 N C -0.318 175.385 175.510 0.321 0.000 1.098 1272 N CA 0.304 53.511 53.050 0.262 0.000 0.872 1272 N CB 0.246 38.833 38.487 0.165 0.000 0.970 1272 N HN 0.139 nan 8.380 nan 0.000 0.467 1273 A N 1.004 124.063 122.820 0.398 0.000 2.507 1273 A HA 0.137 4.457 4.320 -0.000 0.000 0.235 1273 A C 0.602 178.358 177.584 0.287 0.000 1.070 1273 A CA 0.064 52.310 52.037 0.349 0.000 0.768 1273 A CB 0.294 19.443 19.000 0.248 0.000 1.011 1273 A HN 0.227 nan 8.150 nan 0.000 0.502 1274 R N 0.853 121.465 120.500 0.188 0.000 2.368 1274 R HA 0.509 4.849 4.340 -0.000 0.000 0.302 1274 R C -0.773 175.585 176.300 0.097 0.000 1.002 1274 R CA -0.399 55.775 56.100 0.122 0.000 0.929 1274 R CB 0.659 31.014 30.300 0.092 0.000 1.073 1274 R HN 0.698 nan 8.270 nan 0.000 0.464 1275 I N 5.987 126.591 120.570 0.058 0.000 2.379 1275 I HA -0.007 4.163 4.170 -0.000 0.000 0.290 1275 I C 0.793 176.932 176.117 0.036 0.000 1.063 1275 I CA -0.193 61.136 61.300 0.048 0.000 1.351 1275 I CB 0.956 38.956 38.000 0.001 0.000 1.410 1275 I HN 0.646 nan 8.210 nan 0.000 0.505 1276 I N 4.533 125.128 120.570 0.040 0.000 2.731 1276 I HA 0.262 4.432 4.170 -0.000 0.000 0.260 1276 I C 1.151 177.284 176.117 0.027 0.000 1.138 1276 I CA 0.593 61.911 61.300 0.029 0.000 1.461 1276 I CB -0.747 37.268 38.000 0.025 0.000 1.128 1276 I HN 0.663 nan 8.210 nan 0.000 0.438 1277 G N 0.090 108.910 108.800 0.033 0.000 2.550 1277 G HA2 0.530 4.490 3.960 -0.000 0.000 0.293 1277 G HA3 0.530 4.490 3.960 -0.000 0.000 0.293 1277 G C -1.591 173.333 174.900 0.040 0.000 1.402 1277 G CA -0.318 44.801 45.100 0.032 0.000 0.784 1277 G HN 0.033 nan 8.290 nan 0.000 0.482 1278 E N -0.652 119.571 120.200 0.038 0.000 2.352 1278 E HA 0.661 5.011 4.350 -0.000 0.000 0.280 1278 E C -1.086 175.527 176.600 0.022 0.000 0.930 1278 E CA -0.822 55.602 56.400 0.040 0.000 0.765 1278 E CB 1.731 31.476 29.700 0.075 0.000 1.219 1278 E HN 0.407 nan 8.360 nan 0.000 0.434 1279 R N 1.454 121.958 120.500 0.006 0.000 2.739 1279 R HA 0.551 4.891 4.340 -0.000 0.000 0.271 1279 R C -1.315 174.954 176.300 -0.052 0.000 1.010 1279 R CA -0.810 55.281 56.100 -0.014 0.000 0.897 1279 R CB 2.101 32.395 30.300 -0.010 0.000 1.236 1279 R HN 0.619 nan 8.270 nan 0.000 0.466 1280 T N 0.093 114.591 114.554 -0.095 0.000 2.863 1280 T HA 0.760 5.110 4.350 -0.000 0.000 0.285 1280 T C -0.287 174.214 174.700 -0.332 0.000 1.009 1280 T CA -0.661 61.317 62.100 -0.203 0.000 0.989 1280 T CB 2.185 70.933 68.868 -0.200 0.000 1.004 1280 T HN 0.701 nan 8.240 nan 0.000 0.455 1281 G N 0.928 109.448 108.800 -0.465 0.000 2.694 1281 G HA2 0.708 4.668 3.960 -0.000 0.000 0.290 1281 G HA3 0.708 4.668 3.960 -0.000 0.000 0.290 1281 G C -1.904 172.539 174.900 -0.762 0.000 1.386 1281 G CA -0.722 44.055 45.100 -0.538 0.000 0.872 1281 G HN 0.516 nan 8.290 nan 0.000 0.475 1282 F N 0.645 120.503 119.950 -0.154 0.000 2.445 1282 F HA 0.496 5.023 4.527 -0.000 0.000 0.348 1282 F C 0.796 176.410 175.800 -0.310 0.000 1.125 1282 F CA -0.877 56.929 58.000 -0.322 0.000 0.983 1282 F CB 1.807 40.511 39.000 -0.492 0.000 1.198 1282 F HN 0.085 nan 8.300 nan 0.000 0.436 1283 R N 4.053 124.455 120.500 -0.163 0.000 2.449 1283 R HA 0.179 4.519 4.340 -0.000 0.000 0.296 1283 R C -2.339 173.886 176.300 -0.125 0.000 1.047 1283 R CA -1.490 54.535 56.100 -0.124 0.000 1.018 1283 R CB 0.152 30.383 30.300 -0.115 0.000 0.962 1283 R HN 0.247 nan 8.270 nan 0.000 0.428 1284 P HA 0.027 nan 4.420 nan 0.000 0.244 1284 P C -0.372 176.949 177.300 0.035 0.000 1.769 1284 P CA -0.088 62.988 63.100 -0.040 0.000 1.102 1284 P CB 0.265 31.989 31.700 0.041 0.000 1.937 1285 V N 4.458 124.395 119.914 0.039 0.000 2.521 1285 V HA 0.194 4.314 4.120 -0.000 0.000 0.286 1285 V C 0.987 177.159 176.094 0.131 0.000 1.034 1285 V CA 0.338 62.725 62.300 0.145 0.000 1.045 1285 V CB -0.212 31.726 31.823 0.191 0.000 0.974 1285 V HN 0.458 nan 8.190 nan 0.000 0.480 1286 R N 4.314 124.909 120.500 0.159 0.000 2.536 1286 R HA 0.320 4.660 4.340 -0.000 0.000 0.269 1286 R C -2.257 174.132 176.300 0.147 0.000 1.113 1286 R CA -1.359 54.821 56.100 0.133 0.000 0.948 1286 R CB 2.527 32.894 30.300 0.111 0.000 1.237 1286 R HN 0.386 nan 8.270 nan 0.000 0.441 1287 P HA -0.206 nan 4.420 nan 0.000 0.217 1287 P C -0.645 176.730 177.300 0.124 0.000 1.148 1287 P CA 1.336 64.507 63.100 0.119 0.000 0.834 1287 P CB 0.248 31.994 31.700 0.077 0.000 0.783 1288 Q N -2.404 117.452 119.800 0.094 0.000 2.511 1288 Q HA 0.480 4.820 4.340 -0.000 0.000 0.289 1288 Q C -0.862 175.160 176.000 0.037 0.000 1.021 1288 Q CA -1.080 54.777 55.803 0.090 0.000 0.785 1288 Q CB 0.862 29.634 28.738 0.056 0.000 1.472 1288 Q HN -0.171 nan 8.270 nan 0.000 0.411 1289 I N 1.457 122.043 120.570 0.026 0.000 2.710 1289 I HA 0.067 4.237 4.170 -0.000 0.000 0.286 1289 I C 0.484 176.510 176.117 -0.152 0.000 1.181 1289 I CA 0.086 61.303 61.300 -0.138 0.000 1.430 1289 I CB 0.357 38.254 38.000 -0.171 0.000 1.367 1289 I HN 0.485 nan 8.210 nan 0.000 0.577 1290 R N 6.305 126.591 120.500 -0.357 0.000 2.248 1290 R HA 0.320 4.660 4.340 -0.000 0.000 0.337 1290 R C -1.318 174.821 176.300 -0.269 0.000 1.106 1290 R CA -0.619 55.257 56.100 -0.373 0.000 0.959 1290 R CB 0.271 30.144 30.300 -0.712 0.000 1.075 1290 R HN 0.393 nan 8.270 nan 0.000 0.480 1291 L N 5.704 126.879 121.223 -0.080 0.000 2.417 1291 L HA 0.354 4.693 4.340 -0.000 0.000 0.259 1291 L C -1.201 175.691 176.870 0.036 0.000 1.023 1291 L CA -0.137 54.685 54.840 -0.030 0.000 0.901 1291 L CB 0.891 42.909 42.059 -0.068 0.000 1.227 1291 L HN 0.739 nan 8.230 nan 0.000 0.454 1292 E N 2.883 123.112 120.200 0.048 0.000 2.423 1292 E HA 0.571 4.921 4.350 -0.000 0.000 0.280 1292 E C -1.181 175.451 176.600 0.054 0.000 1.030 1292 E CA -1.157 55.280 56.400 0.062 0.000 0.812 1292 E CB 1.599 31.343 29.700 0.072 0.000 1.313 1292 E HN 0.310 nan 8.360 nan 0.000 0.456 1293 R N 0.217 120.733 120.500 0.027 0.000 2.532 1293 R HA 0.476 4.816 4.340 -0.000 0.000 0.272 1293 R C -0.577 175.727 176.300 0.008 0.000 1.032 1293 R CA -0.555 55.535 56.100 -0.017 0.000 1.089 1293 R CB 1.248 31.532 30.300 -0.028 0.000 1.098 1293 R HN 0.690 nan 8.270 nan 0.000 0.526 1294 E N 0.978 121.149 120.200 -0.048 0.000 2.354 1294 E HA 0.069 4.419 4.350 -0.000 0.000 0.283 1294 E C -1.454 175.102 176.600 -0.073 0.000 0.938 1294 E CA -0.761 55.627 56.400 -0.019 0.000 0.777 1294 E CB 1.365 31.106 29.700 0.068 0.000 1.222 1294 E HN 0.321 nan 8.360 nan 0.000 0.423 1295 Q N 3.825 123.599 119.800 -0.043 0.000 2.377 1295 Q HA 0.241 4.581 4.340 -0.000 0.000 0.249 1295 Q C -0.313 175.663 176.000 -0.041 0.000 1.005 1295 Q CA -0.601 55.171 55.803 -0.051 0.000 0.912 1295 Q CB 1.053 29.771 28.738 -0.034 0.000 1.223 1295 Q HN 0.515 nan 8.270 nan 0.000 0.459 1296 L N 3.835 125.018 121.223 -0.067 0.000 2.536 1296 L HA 0.097 4.437 4.340 -0.000 0.000 0.282 1296 L C -0.138 176.728 176.870 -0.007 0.000 1.147 1296 L CA 0.130 54.948 54.840 -0.036 0.000 0.936 1296 L CB -0.012 42.004 42.059 -0.072 0.000 1.279 1296 L HN 0.329 nan 8.230 nan 0.000 0.461 1297 R N 2.755 123.260 120.500 0.009 0.000 2.404 1297 R HA 0.299 4.639 4.340 -0.000 0.000 0.315 1297 R C -0.043 176.269 176.300 0.020 0.000 1.032 1297 R CA 0.293 56.399 56.100 0.011 0.000 0.992 1297 R CB 0.329 30.637 30.300 0.013 0.000 0.959 1297 R HN 0.558 nan 8.270 nan 0.000 0.428 1298 T N 2.221 116.784 114.554 0.016 0.000 3.422 1298 T HA 0.465 4.814 4.350 -0.000 0.000 0.327 1298 T C 0.205 174.914 174.700 0.014 0.000 0.840 1298 T CA 0.393 62.506 62.100 0.022 0.000 1.126 1298 T CB -0.074 68.813 68.868 0.033 0.000 1.008 1298 T HN 0.875 nan 8.240 nan 0.000 0.485 1299 G N 6.439 115.246 108.800 0.013 0.000 2.498 1299 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.251 1299 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.251 1299 G C -1.143 173.759 174.900 0.005 0.000 1.170 1299 G CA 0.119 45.225 45.100 0.009 0.000 0.944 1299 G HN 0.661 nan 8.290 nan 0.000 0.567 1300 P HA 0.102 nan 4.420 nan 0.000 0.213 1300 P C 0.956 178.255 177.300 -0.003 0.000 1.170 1300 P CA 2.444 65.544 63.100 0.000 0.000 0.898 1300 P CB -0.320 31.380 31.700 -0.000 0.000 0.787 1301 S N -0.607 115.090 115.700 -0.004 0.000 2.547 1301 S HA 0.448 4.918 4.470 -0.000 0.000 0.281 1301 S C -0.343 174.251 174.600 -0.008 0.000 1.118 1301 S CA -1.066 57.129 58.200 -0.008 0.000 0.947 1301 S CB 1.411 64.604 63.200 -0.012 0.000 1.053 1301 S HN 0.156 nan 8.310 nan 0.000 0.482 1302 N N 1.133 119.826 118.700 -0.012 0.000 2.326 1302 N HA 0.427 5.167 4.740 -0.000 0.000 0.239 1302 N C -0.013 175.482 175.510 -0.025 0.000 1.301 1302 N CA -0.287 52.755 53.050 -0.014 0.000 0.909 1302 N CB 0.047 38.525 38.487 -0.016 0.000 1.156 1302 N HN 0.814 nan 8.380 nan 0.000 0.462 1303 T N -3.114 111.422 114.554 -0.031 0.000 2.888 1303 T HA 0.354 4.704 4.350 -0.000 0.000 0.284 1303 T C -0.362 174.292 174.700 -0.076 0.000 1.017 1303 T CA -1.030 61.043 62.100 -0.045 0.000 1.022 1303 T CB 1.264 70.112 68.868 -0.033 0.000 1.013 1303 T HN 0.395 nan 8.240 nan 0.000 0.465 1304 E N 1.293 121.445 120.200 -0.080 0.000 2.331 1304 E HA 0.465 4.815 4.350 -0.000 0.000 0.272 1304 E C -0.689 175.819 176.600 -0.153 0.000 1.036 1304 E CA -0.434 55.904 56.400 -0.103 0.000 0.864 1304 E CB 1.785 31.434 29.700 -0.084 0.000 1.035 1304 E HN 0.520 nan 8.360 nan 0.000 0.408 1305 V N 4.450 124.233 119.914 -0.219 0.000 2.577 1305 V HA 0.374 4.493 4.120 -0.000 0.000 0.303 1305 V C -0.049 175.842 176.094 -0.340 0.000 1.042 1305 V CA -0.670 61.413 62.300 -0.363 0.000 0.872 1305 V CB 1.500 32.941 31.823 -0.636 0.000 0.998 1305 V HN 0.468 nan 8.190 nan 0.000 0.423 1306 I N 4.054 124.463 120.570 -0.269 0.000 2.328 1306 I HA 0.428 4.598 4.170 -0.000 0.000 0.287 1306 I C -0.212 175.787 176.117 -0.196 0.000 1.012 1306 I CA -0.518 60.672 61.300 -0.184 0.000 1.195 1306 I CB 0.743 38.706 38.000 -0.062 0.000 1.350 1306 I HN 0.632 nan 8.210 nan 0.000 0.464 1307 H N 4.798 123.879 119.070 0.017 0.000 2.646 1307 H HA 0.263 4.819 4.556 -0.000 0.000 0.325 1307 H C -0.032 175.307 175.328 0.020 0.000 1.075 1307 H CA -0.056 56.044 56.048 0.086 0.000 1.421 1307 H CB 0.619 30.426 29.762 0.076 0.000 1.461 1307 H HN 0.428 nan 8.280 nan 0.000 0.525 1308 N N 3.295 122.141 118.700 0.243 0.000 2.707 1308 N HA 0.107 4.846 4.740 -0.000 0.000 0.249 1308 N C -1.934 173.811 175.510 0.392 0.000 1.299 1308 N CA -0.622 52.537 53.050 0.181 0.000 0.769 1308 N CB 0.194 38.764 38.487 0.138 0.000 1.236 1308 N HN 0.580 nan 8.380 nan 0.000 0.524 1309 Y N -1.193 119.244 120.300 0.228 0.000 2.689 1309 Y HA 0.656 5.206 4.550 -0.000 0.000 0.333 1309 Y C 0.502 176.417 175.900 0.025 0.000 1.208 1309 Y CA -0.923 57.319 58.100 0.236 0.000 1.055 1309 Y CB 0.697 39.276 38.460 0.199 0.000 1.304 1309 Y HN 0.240 nan 8.280 nan 0.000 0.455 1310 G N 1.258 110.267 108.800 0.349 0.000 2.255 1310 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.239 1310 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.239 1310 G C -0.525 174.322 174.900 -0.089 0.000 1.083 1310 G CA 0.306 45.484 45.100 0.130 0.000 0.826 1310 G HN 1.082 nan 8.290 nan 0.000 0.493 1311 H N -0.287 118.732 119.070 -0.085 0.000 2.526 1311 H HA 0.434 4.990 4.556 -0.000 0.000 0.274 1311 H C 2.205 177.095 175.328 -0.731 0.000 0.999 1311 H CA 1.075 56.904 56.048 -0.366 0.000 1.157 1311 H CB 0.328 29.940 29.762 -0.250 0.000 1.407 1311 H HN 1.253 nan 8.280 nan 0.000 0.568 1312 G N 0.772 109.447 108.800 -0.208 0.000 2.660 1312 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.321 1312 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.321 1312 G C 1.384 176.250 174.900 -0.058 0.000 1.246 1312 G CA 0.370 45.432 45.100 -0.062 0.000 1.000 1312 G HN 0.597 nan 8.290 nan 0.000 0.550 1313 G N -0.504 108.387 108.800 0.152 0.000 3.518 1313 G HA2 0.514 4.474 3.960 -0.000 0.000 0.273 1313 G HA3 0.514 4.474 3.960 -0.000 0.000 0.273 1313 G C 0.393 175.361 174.900 0.114 0.000 1.199 1313 G CA 1.135 46.387 45.100 0.253 0.000 0.899 1313 G HN 1.510 nan 8.290 nan 0.000 0.533 1314 Y N -3.770 116.495 120.300 -0.057 0.000 2.830 1314 Y HA 0.422 4.972 4.550 -0.000 0.000 0.248 1314 Y C 1.452 177.323 175.900 -0.048 0.000 1.119 1314 Y CA -1.029 56.978 58.100 -0.156 0.000 1.164 1314 Y CB -0.157 38.095 38.460 -0.347 0.000 1.237 1314 Y HN -0.065 nan 8.280 nan 0.000 0.598 1315 G N 1.947 110.666 108.800 -0.135 0.000 2.459 1315 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 1315 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 1315 G C 1.356 176.299 174.900 0.073 0.000 1.183 1315 G CA 1.441 46.508 45.100 -0.055 0.000 0.776 1315 G HN 0.343 nan 8.290 nan 0.000 0.552 1316 L N 0.931 122.180 121.223 0.043 0.000 2.141 1316 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 1316 L C 3.045 180.073 176.870 0.263 0.000 1.094 1316 L CA 1.826 56.724 54.840 0.096 0.000 0.763 1316 L CB -1.630 40.414 42.059 -0.025 0.000 0.908 1316 L HN 0.225 nan 8.230 nan 0.000 0.437 1317 T N -0.347 114.265 114.554 0.097 0.000 2.833 1317 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 1317 T C 1.847 176.683 174.700 0.227 0.000 1.054 1317 T CA 1.225 63.297 62.100 -0.047 0.000 1.135 1317 T CB 0.126 68.682 68.868 -0.519 0.000 0.869 1317 T HN 0.233 nan 8.240 nan 0.000 0.466 1318 I N -0.012 120.737 120.570 0.298 0.000 4.403 1318 I HA 0.108 4.278 4.170 -0.000 0.000 0.331 1318 I C 1.995 178.274 176.117 0.270 0.000 1.327 1318 I CA -0.041 61.472 61.300 0.355 0.000 1.175 1318 I CB 0.206 38.481 38.000 0.459 0.000 1.165 1318 I HN 0.323 nan 8.210 nan 0.000 0.413 1319 H N -0.436 118.765 119.070 0.218 0.000 2.357 1319 H HA -0.306 4.250 4.556 -0.000 0.000 0.296 1319 H C 2.065 177.518 175.328 0.209 0.000 1.108 1319 H CA 2.329 58.465 56.048 0.148 0.000 1.273 1319 H CB -0.857 29.003 29.762 0.163 0.000 1.367 1319 H HN 0.525 nan 8.280 nan 0.000 0.498 1320 W N 2.495 123.302 121.300 -0.822 0.000 2.355 1320 W HA -0.113 4.547 4.660 -0.000 0.000 0.309 1320 W C 2.553 178.917 176.519 -0.259 0.000 1.206 1320 W CA 1.479 58.504 57.345 -0.533 0.000 1.284 1320 W CB -0.492 28.654 29.460 -0.524 0.000 1.145 1320 W HN 0.457 nan 8.180 nan 0.000 0.502 1321 G N 0.285 109.033 108.800 -0.086 0.000 2.469 1321 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.219 1321 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.219 1321 G C 1.454 175.976 174.900 -0.630 0.000 1.150 1321 G CA 1.416 46.424 45.100 -0.152 0.000 0.763 1321 G HN 0.357 nan 8.290 nan 0.000 0.561 1322 C N 0.775 119.729 119.300 -0.576 0.000 2.429 1322 C HA 0.174 4.634 4.460 -0.000 0.000 0.277 1322 C C 3.543 178.229 174.990 -0.506 0.000 1.262 1322 C CA 0.833 59.419 59.018 -0.720 0.000 1.733 1322 C CB -0.976 26.608 27.740 -0.260 0.000 2.010 1322 C HN 0.585 nan 8.230 nan 0.000 0.483 1323 A N 0.413 122.991 122.820 -0.404 0.000 1.902 1323 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 1323 A C 2.089 179.409 177.584 -0.440 0.000 1.181 1323 A CA 1.471 53.286 52.037 -0.370 0.000 0.623 1323 A CB -0.612 18.158 19.000 -0.383 0.000 0.818 1323 A HN 0.613 nan 8.150 nan 0.000 0.443 1324 L N -0.889 119.977 121.223 -0.595 0.000 2.083 1324 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 1324 L C 2.617 179.338 176.870 -0.248 0.000 1.083 1324 L CA 1.664 56.237 54.840 -0.444 0.000 0.752 1324 L CB -0.423 41.355 42.059 -0.468 0.000 0.899 1324 L HN 0.480 nan 8.230 nan 0.000 0.433 1325 E N 0.647 120.660 120.200 -0.311 0.000 2.106 1325 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 1325 E C 2.123 178.643 176.600 -0.133 0.000 0.984 1325 E CA 1.381 57.664 56.400 -0.195 0.000 0.806 1325 E CB -0.059 29.424 29.700 -0.362 0.000 0.750 1325 E HN 0.351 nan 8.360 nan 0.000 0.458 1326 A N 0.643 123.354 122.820 -0.181 0.000 1.930 1326 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 1326 A C 2.401 179.982 177.584 -0.004 0.000 1.175 1326 A CA 1.822 53.805 52.037 -0.091 0.000 0.627 1326 A CB -0.849 18.085 19.000 -0.109 0.000 0.815 1326 A HN 0.381 nan 8.150 nan 0.000 0.443 1327 A N -0.272 122.545 122.820 -0.006 0.000 1.929 1327 A HA -0.086 4.233 4.320 -0.000 0.000 0.216 1327 A C 2.093 179.831 177.584 0.257 0.000 1.176 1327 A CA 1.567 53.697 52.037 0.156 0.000 0.628 1327 A CB -0.372 18.693 19.000 0.109 0.000 0.816 1327 A HN 0.492 nan 8.150 nan 0.000 0.444 1328 K N -0.347 120.132 120.400 0.132 0.000 2.032 1328 K HA -0.122 4.198 4.320 -0.000 0.000 0.209 1328 K C 1.866 178.512 176.600 0.078 0.000 1.048 1328 K CA 1.550 57.910 56.287 0.121 0.000 0.927 1328 K CB -0.449 32.094 32.500 0.071 0.000 0.712 1328 K HN 0.474 nan 8.250 nan 0.000 0.441 1329 L N -0.147 121.109 121.223 0.055 0.000 2.046 1329 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 1329 L C 2.385 179.258 176.870 0.004 0.000 1.077 1329 L CA 1.019 55.874 54.840 0.024 0.000 0.747 1329 L CB -0.413 41.658 42.059 0.020 0.000 0.896 1329 L HN 0.113 nan 8.230 nan 0.000 0.432 1330 F N 0.949 120.825 119.950 -0.122 0.000 2.095 1330 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 1330 F C 2.284 177.865 175.800 -0.365 0.000 1.104 1330 F CA 1.439 59.303 58.000 -0.227 0.000 1.232 1330 F CB -0.848 38.011 39.000 -0.235 0.000 0.987 1330 F HN 0.019 nan 8.300 nan 0.000 0.475 1331 G N 0.954 109.571 108.800 -0.305 0.000 2.574 1331 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.220 1331 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.220 1331 G C 1.805 176.549 174.900 -0.260 0.000 1.173 1331 G CA 1.153 46.077 45.100 -0.294 0.000 0.772 1331 G HN 0.277 nan 8.290 nan 0.000 0.585 1332 R N 0.259 120.664 120.500 -0.158 0.000 2.096 1332 R HA 0.039 4.379 4.340 -0.000 0.000 0.235 1332 R C 2.610 178.797 176.300 -0.188 0.000 1.127 1332 R CA 0.853 56.875 56.100 -0.130 0.000 0.968 1332 R CB -0.935 29.322 30.300 -0.072 0.000 0.861 1332 R HN 0.477 nan 8.270 nan 0.000 0.440 1333 I N 1.213 121.622 120.570 -0.268 0.000 2.163 1333 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 1333 I C 2.410 178.329 176.117 -0.329 0.000 1.085 1333 I CA 1.322 62.444 61.300 -0.296 0.000 1.347 1333 I CB -0.326 37.452 38.000 -0.369 0.000 1.044 1333 I HN 0.044 nan 8.210 nan 0.000 0.408 1334 L N 0.474 121.422 121.223 -0.457 0.000 2.012 1334 L HA -0.241 4.098 4.340 -0.000 0.000 0.210 1334 L C 2.715 179.458 176.870 -0.212 0.000 1.073 1334 L CA 1.976 56.590 54.840 -0.376 0.000 0.748 1334 L CB -0.781 41.006 42.059 -0.454 0.000 0.891 1334 L HN 0.398 nan 8.230 nan 0.000 0.431 1335 E N 0.132 120.229 120.200 -0.171 0.000 2.106 1335 E HA -0.240 4.109 4.350 -0.000 0.000 0.192 1335 E C 1.791 178.337 176.600 -0.089 0.000 0.984 1335 E CA 1.195 57.533 56.400 -0.103 0.000 0.806 1335 E CB -0.318 29.339 29.700 -0.073 0.000 0.750 1335 E HN 0.525 nan 8.360 nan 0.000 0.458 1336 E N 1.265 121.404 120.200 -0.101 0.000 2.077 1336 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 1336 E C 1.851 178.403 176.600 -0.081 0.000 0.989 1336 E CA 1.015 57.366 56.400 -0.083 0.000 0.800 1336 E CB -0.025 29.624 29.700 -0.086 0.000 0.746 1336 E HN 0.204 nan 8.360 nan 0.000 0.452 1337 K N 0.758 121.095 120.400 -0.104 0.000 2.555 1337 K HA -0.026 4.293 4.320 -0.000 0.000 0.193 1337 K C -0.376 176.179 176.600 -0.076 0.000 1.032 1337 K CA 0.248 56.480 56.287 -0.091 0.000 1.004 1337 K CB 0.045 32.477 32.500 -0.112 0.000 0.804 1337 K HN 0.057 nan 8.250 nan 0.000 0.496 1338 K N 0.354 120.711 120.400 -0.073 0.000 3.393 1338 K HA -0.173 4.146 4.320 -0.000 0.000 0.272 1338 K C -0.497 176.070 176.600 -0.055 0.000 1.004 1338 K CA 0.190 56.443 56.287 -0.056 0.000 0.764 1338 K CB -1.173 31.302 32.500 -0.042 0.000 1.373 1338 K HN 0.028 nan 8.250 nan 0.000 0.458 1339 L N 0.490 121.671 121.223 -0.071 0.000 3.291 1339 L HA 0.158 4.497 4.340 -0.000 0.000 0.307 1339 L C -0.105 176.731 176.870 -0.056 0.000 1.303 1339 L CA 0.198 54.999 54.840 -0.065 0.000 0.949 1339 L CB 1.113 43.121 42.059 -0.085 0.000 1.375 1339 L HN 0.492 nan 8.230 nan 0.000 0.596 1340 S N 0.000 115.675 115.700 -0.041 0.000 2.498 1340 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 1340 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 1340 S CB 0.000 63.189 63.200 -0.018 0.000 0.593 1340 S HN 0.000 nan 8.310 nan 0.000 0.517