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 1qg0_1_B DATA FIRST_RESID 1013 DATA SEQUENCE HSKKQDENIV VNKFKPKEPY VGRCLLNTKI TGDDAPGETW HMVFSTEGEV DATA SEQUENCE PYREGQSIGI VPDGIDKNGK PHKLRLYSIA SSAIGDFGDS KTVSLCVKRL DATA SEQUENCE VYTNDAGEVV KGVCSNFLCD LKPGSEVKIT GPVGKEMLMP KDPNATVIML DATA SEQUENCE GTGTGIAPFR SFLWKMFFEK HEDYQFNGLA WLFLGVPTSS SLLYKEEFEK DATA SEQUENCE MKEKAPENFR LDFAVSREQV NDKGEKMYIQ TRMAQYAEEL WELLKKDNTF DATA SEQUENCE VYMCGLKGME KGIDDIMVSL AAKDGIDWIE YKRTLKKAEQ WNVEVY 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 1013 H HA 0.000 nan 4.556 nan 0.000 0.296 1013 H C 0.000 175.348 175.328 0.033 0.000 0.993 1013 H CA 0.000 56.063 56.048 0.025 0.000 1.023 1013 H CB 0.000 29.776 29.762 0.023 0.000 1.292 1014 S N 0.852 116.558 115.700 0.010 0.000 2.548 1014 S HA 0.329 4.799 4.470 0.000 0.000 0.286 1014 S C 0.448 175.068 174.600 0.033 0.000 1.098 1014 S CA -0.978 57.214 58.200 -0.014 0.000 0.930 1014 S CB 1.527 64.702 63.200 -0.042 0.000 1.070 1014 S HN 0.577 nan 8.310 nan 0.000 0.480 1015 K N 1.593 122.029 120.400 0.061 0.000 2.487 1015 K HA 0.163 4.483 4.320 0.000 0.000 0.192 1015 K C -0.021 176.568 176.600 -0.019 0.000 1.027 1015 K CA 0.486 56.828 56.287 0.091 0.000 1.054 1015 K CB 0.036 32.686 32.500 0.250 0.000 0.824 1015 K HN 0.314 nan 8.250 nan 0.000 0.510 1016 K N 1.058 121.441 120.400 -0.030 0.000 2.259 1016 K HA 0.209 4.529 4.320 0.000 0.000 0.249 1016 K C -0.622 175.935 176.600 -0.072 0.000 0.942 1016 K CA -0.648 55.591 56.287 -0.079 0.000 0.816 1016 K CB 1.799 34.279 32.500 -0.034 0.000 1.155 1016 K HN -0.071 nan 8.250 nan 0.000 0.428 1017 Q N 2.525 122.255 119.800 -0.117 0.000 2.371 1017 Q HA -0.064 4.276 4.340 0.000 0.000 0.254 1017 Q C -0.280 175.669 176.000 -0.085 0.000 1.264 1017 Q CA 0.424 56.158 55.803 -0.116 0.000 0.904 1017 Q CB -0.057 28.562 28.738 -0.197 0.000 1.507 1017 Q HN 0.522 nan 8.270 nan 0.000 0.495 1018 D N -0.357 120.012 120.400 -0.052 0.000 2.516 1018 D HA -0.020 4.620 4.640 0.000 0.000 0.241 1018 D C -0.183 176.101 176.300 -0.025 0.000 1.246 1018 D CA -0.237 53.742 54.000 -0.034 0.000 0.808 1018 D CB 0.205 40.993 40.800 -0.020 0.000 1.147 1018 D HN 0.141 nan 8.370 nan 0.000 0.527 1019 E N 1.841 122.026 120.200 -0.025 0.000 2.341 1019 E HA 0.162 4.512 4.350 0.000 0.000 0.256 1019 E C -0.111 176.477 176.600 -0.021 0.000 1.125 1019 E CA 0.393 56.784 56.400 -0.015 0.000 0.939 1019 E CB -0.465 29.230 29.700 -0.008 0.000 0.991 1019 E HN 0.098 nan 8.360 nan 0.000 0.458 1020 N N 2.362 121.054 118.700 -0.015 0.000 2.989 1020 N HA -0.161 4.579 4.740 0.000 0.000 0.247 1020 N C -0.822 174.676 175.510 -0.019 0.000 1.119 1020 N CA 0.568 53.608 53.050 -0.017 0.000 0.755 1020 N CB -2.089 36.386 38.487 -0.021 0.000 1.100 1020 N HN 0.347 nan 8.380 nan 0.000 0.550 1021 I N -0.765 119.796 120.570 -0.015 0.000 2.662 1021 I HA 0.130 4.300 4.170 0.000 0.000 0.285 1021 I C 0.910 177.025 176.117 -0.003 0.000 1.161 1021 I CA -0.388 60.906 61.300 -0.009 0.000 1.415 1021 I CB 0.134 38.133 38.000 -0.000 0.000 1.385 1021 I HN -0.115 nan 8.210 nan 0.000 0.552 1022 V N 6.951 126.865 119.914 0.001 0.000 2.509 1022 V HA 0.630 4.750 4.120 0.000 0.000 0.284 1022 V C 0.296 176.404 176.094 0.023 0.000 1.047 1022 V CA -0.478 61.824 62.300 0.003 0.000 0.952 1022 V CB 1.592 33.416 31.823 0.000 0.000 0.988 1022 V HN 0.638 nan 8.190 nan 0.000 0.469 1023 V N 3.465 123.389 119.914 0.017 0.000 3.012 1023 V HA 0.422 4.542 4.120 0.000 0.000 0.307 1023 V C 0.039 176.147 176.094 0.023 0.000 1.166 1023 V CA -1.041 61.277 62.300 0.031 0.000 0.974 1023 V CB 2.053 33.891 31.823 0.025 0.000 1.040 1023 V HN 0.977 nan 8.190 nan 0.000 0.428 1024 N N 1.266 119.992 118.700 0.044 0.000 2.721 1024 N HA -0.243 4.497 4.740 0.000 0.000 0.249 1024 N C 1.227 176.744 175.510 0.011 0.000 1.072 1024 N CA 1.049 54.124 53.050 0.041 0.000 0.710 1024 N CB -0.603 37.897 38.487 0.022 0.000 0.993 1024 N HN 0.800 nan 8.380 nan 0.000 0.547 1025 K N -0.164 120.238 120.400 0.003 0.000 2.057 1025 K HA -0.040 4.280 4.320 0.000 0.000 0.206 1025 K C -0.272 176.119 176.600 -0.349 0.000 1.050 1025 K CA 1.056 57.229 56.287 -0.191 0.000 0.935 1025 K CB 0.146 32.495 32.500 -0.251 0.000 0.715 1025 K HN 0.225 nan 8.250 nan 0.000 0.439 1026 F N 1.223 121.195 119.950 0.036 0.000 2.458 1026 F HA 0.366 4.893 4.527 0.000 0.000 0.336 1026 F C -0.192 175.633 175.800 0.042 0.000 1.114 1026 F CA -1.085 56.947 58.000 0.053 0.000 0.987 1026 F CB 1.783 40.837 39.000 0.090 0.000 1.130 1026 F HN -0.300 nan 8.300 nan 0.000 0.458 1027 K N 4.283 124.794 120.400 0.185 0.000 2.095 1027 K HA 0.371 4.691 4.320 0.000 0.000 0.252 1027 K C -1.767 174.897 176.600 0.107 0.000 0.977 1027 K CA -1.896 54.459 56.287 0.113 0.000 0.900 1027 K CB 0.814 33.351 32.500 0.061 0.000 1.060 1027 K HN 0.162 nan 8.250 nan 0.000 0.449 1028 P HA -0.190 nan 4.420 nan 0.000 0.225 1028 P C 0.033 177.354 177.300 0.036 0.000 1.148 1028 P CA 1.192 64.321 63.100 0.049 0.000 0.779 1028 P CB 0.373 32.092 31.700 0.033 0.000 0.780 1029 K N 0.144 120.567 120.400 0.037 0.000 2.097 1029 K HA -0.013 4.307 4.320 0.000 0.000 0.205 1029 K C 1.177 177.796 176.600 0.030 0.000 1.050 1029 K CA 0.876 57.178 56.287 0.025 0.000 0.938 1029 K CB -0.154 32.359 32.500 0.022 0.000 0.718 1029 K HN 0.287 nan 8.250 nan 0.000 0.442 1030 E N 0.941 121.175 120.200 0.056 0.000 2.908 1030 E HA 0.182 4.532 4.350 0.000 0.000 0.291 1030 E C -2.616 174.063 176.600 0.133 0.000 1.154 1030 E CA -1.493 54.949 56.400 0.071 0.000 0.784 1030 E CB 1.996 31.737 29.700 0.068 0.000 1.500 1030 E HN -0.008 nan 8.360 nan 0.000 0.382 1031 P HA 0.086 nan 4.420 nan 0.000 0.279 1031 P C -0.694 176.653 177.300 0.079 0.000 1.282 1031 P CA -0.477 62.695 63.100 0.121 0.000 0.788 1031 P CB 0.870 32.593 31.700 0.039 0.000 1.139 1032 Y N 0.349 120.531 120.300 -0.197 0.000 2.327 1032 Y HA 0.316 4.866 4.550 0.000 0.000 0.336 1032 Y C -0.535 175.221 175.900 -0.240 0.000 1.035 1032 Y CA -0.370 57.499 58.100 -0.385 0.000 1.165 1032 Y CB 0.590 38.406 38.460 -1.073 0.000 1.181 1032 Y HN -0.024 nan 8.280 nan 0.000 0.494 1033 V N 7.820 127.262 119.914 -0.787 0.000 2.334 1033 V HA 0.515 4.635 4.120 0.000 0.000 0.267 1033 V C 0.620 176.282 176.094 -0.719 0.000 1.040 1033 V CA 0.058 62.018 62.300 -0.566 0.000 0.866 1033 V CB 0.301 31.918 31.823 -0.343 0.000 1.019 1033 V HN 1.002 nan 8.190 nan 0.000 0.468 1034 G N 5.094 113.635 108.800 -0.430 0.000 2.705 1034 G HA2 0.714 4.674 3.960 0.000 0.000 0.299 1034 G HA3 0.714 4.674 3.960 0.000 0.000 0.299 1034 G C -0.687 174.115 174.900 -0.163 0.000 1.315 1034 G CA -0.810 44.164 45.100 -0.209 0.000 1.045 1034 G HN 0.445 nan 8.290 nan 0.000 0.517 1035 R N -1.534 118.930 120.500 -0.061 0.000 2.832 1035 R HA 0.444 4.784 4.340 0.000 0.000 0.271 1035 R C -0.916 175.400 176.300 0.026 0.000 0.996 1035 R CA -0.660 55.415 56.100 -0.042 0.000 0.977 1035 R CB 1.276 31.580 30.300 0.005 0.000 1.168 1035 R HN 0.519 nan 8.270 nan 0.000 0.482 1036 C N 3.360 122.674 119.300 0.024 0.000 2.415 1036 C HA 0.379 4.839 4.460 0.000 0.000 0.369 1036 C C 1.663 176.730 174.990 0.129 0.000 1.279 1036 C CA -0.411 58.697 59.018 0.149 0.000 1.886 1036 C CB -1.098 26.679 27.740 0.062 0.000 2.468 1036 C HN 0.809 nan 8.230 nan 0.000 0.553 1037 L N 4.460 125.782 121.223 0.164 0.000 2.286 1037 L HA 0.336 4.676 4.340 0.000 0.000 0.203 1037 L C 0.292 177.245 176.870 0.139 0.000 1.068 1037 L CA 0.578 55.512 54.840 0.156 0.000 0.811 1037 L CB -0.302 41.894 42.059 0.228 0.000 0.989 1037 L HN 0.552 nan 8.230 nan 0.000 0.467 1038 L N -0.711 120.578 121.223 0.110 0.000 2.393 1038 L HA 0.498 4.838 4.340 0.000 0.000 0.260 1038 L C -1.187 175.721 176.870 0.064 0.000 1.002 1038 L CA -0.657 54.245 54.840 0.103 0.000 0.818 1038 L CB 2.212 44.355 42.059 0.140 0.000 1.369 1038 L HN -0.076 nan 8.230 nan 0.000 0.412 1039 N N 0.480 119.251 118.700 0.118 0.000 2.655 1039 N HA 0.399 5.140 4.740 0.000 0.000 0.277 1039 N C -1.809 173.917 175.510 0.360 0.000 1.177 1039 N CA -0.224 52.934 53.050 0.181 0.000 0.882 1039 N CB 2.185 40.724 38.487 0.087 0.000 1.481 1039 N HN 0.622 nan 8.380 nan 0.000 0.547 1040 T N 0.973 115.751 114.554 0.375 0.000 2.886 1040 T HA 0.337 4.688 4.350 0.000 0.000 0.292 1040 T C -0.083 174.492 174.700 -0.208 0.000 1.012 1040 T CA -0.705 61.502 62.100 0.179 0.000 0.982 1040 T CB 2.092 71.008 68.868 0.080 0.000 1.018 1040 T HN 0.301 nan 8.240 nan 0.000 0.451 1041 K N 3.004 122.816 120.400 -0.981 0.000 2.349 1041 K HA 0.300 4.620 4.320 0.000 0.000 0.288 1041 K C 0.908 177.132 176.600 -0.627 0.000 1.058 1041 K CA -0.419 54.979 56.287 -1.483 0.000 0.953 1041 K CB 0.102 31.626 32.500 -1.626 0.000 0.997 1041 K HN 0.753 nan 8.250 nan 0.000 0.477 1042 I N 0.843 121.130 120.570 -0.472 0.000 3.941 1042 I HA 0.142 4.312 4.170 0.000 0.000 0.335 1042 I C -0.225 175.730 176.117 -0.270 0.000 1.402 1042 I CA -0.636 60.484 61.300 -0.300 0.000 1.112 1042 I CB 0.386 38.232 38.000 -0.257 0.000 1.043 1042 I HN 0.373 nan 8.210 nan 0.000 0.395 1043 T N -1.249 113.139 114.554 -0.277 0.000 2.912 1043 T HA 0.703 5.053 4.350 0.000 0.000 0.288 1043 T C 0.606 175.205 174.700 -0.168 0.000 1.030 1043 T CA -0.351 61.632 62.100 -0.194 0.000 1.020 1043 T CB 1.753 70.525 68.868 -0.161 0.000 1.056 1043 T HN 0.207 nan 8.240 nan 0.000 0.480 1044 G N 0.376 109.104 108.800 -0.121 0.000 2.732 1044 G HA2 0.176 4.136 3.960 0.000 0.000 0.244 1044 G HA3 0.176 4.136 3.960 0.000 0.000 0.244 1044 G C 0.422 175.274 174.900 -0.080 0.000 1.226 1044 G CA -0.553 44.490 45.100 -0.094 0.000 0.860 1044 G HN 0.868 nan 8.290 nan 0.000 0.583 1045 D N -0.205 120.159 120.400 -0.061 0.000 2.363 1045 D HA -0.060 4.580 4.640 0.000 0.000 0.226 1045 D C 0.877 177.162 176.300 -0.025 0.000 1.020 1045 D CA 0.587 54.563 54.000 -0.041 0.000 0.892 1045 D CB 0.385 41.167 40.800 -0.031 0.000 0.900 1045 D HN 0.508 nan 8.370 nan 0.000 0.531 1046 D N 1.416 121.799 120.400 -0.029 0.000 2.277 1046 D HA 0.043 4.683 4.640 0.000 0.000 0.209 1046 D C 1.240 177.531 176.300 -0.015 0.000 0.970 1046 D CA 0.047 54.035 54.000 -0.019 0.000 0.874 1046 D CB -0.012 40.773 40.800 -0.023 0.000 0.982 1046 D HN -0.016 nan 8.370 nan 0.000 0.504 1047 A N 2.296 125.101 122.820 -0.025 0.000 2.583 1047 A HA 0.089 4.409 4.320 0.000 0.000 0.231 1047 A C -1.295 176.290 177.584 0.001 0.000 1.065 1047 A CA -0.511 51.515 52.037 -0.018 0.000 0.760 1047 A CB 0.006 18.986 19.000 -0.034 0.000 1.001 1047 A HN -0.065 nan 8.150 nan 0.000 0.509 1048 P HA 0.037 nan 4.420 nan 0.000 0.222 1048 P C 0.661 177.986 177.300 0.042 0.000 1.142 1048 P CA 1.822 64.940 63.100 0.030 0.000 0.788 1048 P CB 0.072 31.794 31.700 0.036 0.000 0.767 1049 G N -1.084 107.739 108.800 0.039 0.000 2.495 1049 G HA2 0.403 4.363 3.960 0.000 0.000 0.294 1049 G HA3 0.403 4.363 3.960 0.000 0.000 0.294 1049 G C -1.960 172.969 174.900 0.049 0.000 1.397 1049 G CA -0.731 44.404 45.100 0.059 0.000 0.790 1049 G HN 0.086 nan 8.290 nan 0.000 0.486 1050 E N -0.548 119.704 120.200 0.087 0.000 2.171 1050 E HA 0.651 5.001 4.350 0.000 0.000 0.271 1050 E C -1.076 175.597 176.600 0.121 0.000 0.916 1050 E CA -0.741 55.697 56.400 0.063 0.000 0.774 1050 E CB 2.017 31.776 29.700 0.098 0.000 1.128 1050 E HN 0.205 nan 8.360 nan 0.000 0.403 1051 T N 3.242 117.782 114.554 -0.023 0.000 2.794 1051 T HA 0.347 4.697 4.350 0.000 0.000 0.280 1051 T C -1.193 173.428 174.700 -0.131 0.000 0.987 1051 T CA -0.563 61.556 62.100 0.032 0.000 0.993 1051 T CB 0.327 69.186 68.868 -0.015 0.000 0.939 1051 T HN 0.405 nan 8.240 nan 0.000 0.449 1052 W N 1.292 122.582 121.300 -0.018 0.000 2.689 1052 W HA 0.507 5.167 4.660 0.000 0.000 0.340 1052 W C 0.034 176.545 176.519 -0.013 0.000 1.060 1052 W CA -0.838 56.494 57.345 -0.020 0.000 1.218 1052 W CB 0.778 30.208 29.460 -0.051 0.000 1.410 1052 W HN 0.666 nan 8.180 nan 0.000 0.528 1053 H N 3.795 122.944 119.070 0.132 0.000 2.511 1053 H HA 0.617 5.173 4.556 0.000 0.000 0.328 1053 H C -0.386 174.952 175.328 0.018 0.000 1.044 1053 H CA -0.672 55.420 56.048 0.072 0.000 1.212 1053 H CB 0.682 30.506 29.762 0.105 0.000 1.428 1053 H HN 0.414 nan 8.280 nan 0.000 0.483 1054 M N 3.535 122.757 119.600 -0.629 0.000 2.518 1054 M HA 0.604 5.084 4.480 0.000 0.000 0.300 1054 M C -1.824 173.996 176.300 -0.800 0.000 1.175 1054 M CA -1.287 53.707 55.300 -0.511 0.000 0.890 1054 M CB 2.340 34.699 32.600 -0.402 0.000 1.710 1054 M HN 0.248 nan 8.290 nan 0.000 0.453 1055 V N 3.194 122.789 119.914 -0.531 0.000 2.448 1055 V HA 0.606 4.726 4.120 0.000 0.000 0.295 1055 V C -1.104 174.815 176.094 -0.291 0.000 1.025 1055 V CA -0.335 61.663 62.300 -0.503 0.000 0.859 1055 V CB 1.578 33.190 31.823 -0.350 0.000 0.988 1055 V HN 0.703 nan 8.190 nan 0.000 0.431 1056 F N 1.796 121.657 119.950 -0.149 0.000 2.507 1056 F HA 0.628 5.155 4.527 0.000 0.000 0.327 1056 F C 0.647 176.426 175.800 -0.035 0.000 1.068 1056 F CA -1.373 56.581 58.000 -0.078 0.000 0.965 1056 F CB 1.984 40.939 39.000 -0.074 0.000 1.192 1056 F HN 0.478 nan 8.300 nan 0.000 0.476 1057 S N -0.930 114.909 115.700 0.231 0.000 2.499 1057 S HA 0.478 4.948 4.470 0.000 0.000 0.279 1057 S C 0.374 175.109 174.600 0.224 0.000 1.219 1057 S CA 0.119 58.428 58.200 0.182 0.000 1.062 1057 S CB 1.143 64.442 63.200 0.164 0.000 0.978 1057 S HN 0.821 nan 8.310 nan 0.000 0.489 1058 T N -1.860 112.798 114.554 0.174 0.000 3.043 1058 T HA 0.250 4.600 4.350 0.000 0.000 0.272 1058 T C 0.397 175.137 174.700 0.066 0.000 0.990 1058 T CA 0.270 62.437 62.100 0.111 0.000 0.897 1058 T CB -0.833 67.993 68.868 -0.070 0.000 1.111 1058 T HN 1.057 nan 8.240 nan 0.000 0.529 1059 E N 1.154 121.428 120.200 0.124 0.000 2.269 1059 E HA -0.256 4.094 4.350 0.000 0.000 0.223 1059 E C 1.201 177.835 176.600 0.056 0.000 1.244 1059 E CA 0.582 57.047 56.400 0.109 0.000 0.713 1059 E CB -2.472 27.320 29.700 0.154 0.000 1.178 1059 E HN 1.193 nan 8.360 nan 0.000 0.370 1060 G N 0.131 108.942 108.800 0.019 0.000 2.220 1060 G HA2 -0.434 3.526 3.960 0.000 0.000 0.269 1060 G HA3 -0.434 3.526 3.960 0.000 0.000 0.269 1060 G C 0.845 175.728 174.900 -0.029 0.000 0.977 1060 G CA 0.615 45.712 45.100 -0.005 0.000 0.634 1060 G HN 0.437 nan 8.290 nan 0.000 0.539 1061 E N -0.222 119.930 120.200 -0.079 0.000 2.110 1061 E HA -0.002 4.348 4.350 0.000 0.000 0.193 1061 E C 1.465 178.069 176.600 0.006 0.000 0.988 1061 E CA 1.171 57.529 56.400 -0.070 0.000 0.804 1061 E CB -0.147 29.410 29.700 -0.239 0.000 0.745 1061 E HN 0.443 nan 8.360 nan 0.000 0.458 1062 V N 4.784 124.600 119.914 -0.163 0.000 2.284 1062 V HA 0.087 4.207 4.120 0.000 0.000 0.260 1062 V C -1.980 174.176 176.094 0.102 0.000 1.084 1062 V CA -0.997 61.320 62.300 0.029 0.000 0.894 1062 V CB 0.710 32.456 31.823 -0.128 0.000 1.119 1062 V HN 0.037 nan 8.190 nan 0.000 0.484 1063 P HA 0.025 nan 4.420 nan 0.000 0.237 1063 P C -0.272 177.019 177.300 -0.015 0.000 1.701 1063 P CA -0.019 63.071 63.100 -0.016 0.000 0.955 1063 P CB -0.551 31.147 31.700 -0.003 0.000 1.937 1064 Y N 0.538 120.831 120.300 -0.011 0.000 2.340 1064 Y HA 0.575 5.125 4.550 0.000 0.000 0.327 1064 Y C 0.627 176.507 175.900 -0.034 0.000 1.321 1064 Y CA -1.265 56.825 58.100 -0.017 0.000 1.433 1064 Y CB 0.696 39.146 38.460 -0.017 0.000 1.373 1064 Y HN 0.114 nan 8.280 nan 0.000 0.538 1065 R N -0.704 119.896 120.500 0.167 0.000 2.817 1065 R HA 0.488 4.828 4.340 0.000 0.000 0.268 1065 R C -1.407 174.992 176.300 0.166 0.000 1.027 1065 R CA -1.138 54.986 56.100 0.040 0.000 0.928 1065 R CB 0.940 31.205 30.300 -0.058 0.000 1.228 1065 R HN 0.551 nan 8.270 nan 0.000 0.469 1066 E N 0.210 120.446 120.200 0.059 0.000 2.529 1066 E HA 0.204 4.554 4.350 0.000 0.000 0.259 1066 E C 0.910 177.627 176.600 0.195 0.000 0.966 1066 E CA 2.111 58.584 56.400 0.122 0.000 0.937 1066 E CB 0.371 30.061 29.700 -0.018 0.000 0.923 1066 E HN 0.874 nan 8.360 nan 0.000 0.468 1067 G N 2.234 111.188 108.800 0.258 0.000 2.175 1067 G HA2 -0.299 3.661 3.960 0.000 0.000 0.244 1067 G HA3 -0.299 3.661 3.960 0.000 0.000 0.244 1067 G C 0.245 175.198 174.900 0.087 0.000 0.982 1067 G CA 0.113 45.338 45.100 0.209 0.000 0.641 1067 G HN 0.455 nan 8.290 nan 0.000 0.527 1068 Q N 0.051 119.896 119.800 0.074 0.000 2.185 1068 Q HA 0.720 5.060 4.340 0.000 0.000 0.225 1068 Q C -0.146 175.840 176.000 -0.023 0.000 0.983 1068 Q CA 0.026 55.856 55.803 0.044 0.000 0.950 1068 Q CB 1.403 30.193 28.738 0.086 0.000 1.176 1068 Q HN 0.367 nan 8.270 nan 0.000 0.510 1069 S N 0.208 115.895 115.700 -0.022 0.000 2.595 1069 S HA 0.708 5.178 4.470 0.000 0.000 0.281 1069 S C -0.580 174.006 174.600 -0.024 0.000 1.117 1069 S CA -0.842 57.330 58.200 -0.047 0.000 0.873 1069 S CB 1.139 64.310 63.200 -0.048 0.000 1.108 1069 S HN 0.579 nan 8.310 nan 0.000 0.477 1070 I N -1.482 119.080 120.570 -0.012 0.000 2.957 1070 I HA 0.979 5.149 4.170 0.000 0.000 0.310 1070 I C 0.054 176.214 176.117 0.071 0.000 1.063 1070 I CA -1.187 60.130 61.300 0.028 0.000 1.033 1070 I CB 1.736 39.746 38.000 0.017 0.000 1.230 1070 I HN 0.711 nan 8.210 nan 0.000 0.447 1071 G N 3.600 112.447 108.800 0.077 0.000 2.420 1071 G HA2 0.698 4.658 3.960 0.000 0.000 0.331 1071 G HA3 0.698 4.658 3.960 0.000 0.000 0.331 1071 G C -0.847 174.125 174.900 0.119 0.000 1.168 1071 G CA -0.614 44.540 45.100 0.090 0.000 0.936 1071 G HN 0.441 nan 8.290 nan 0.000 0.479 1072 I N 1.197 121.869 120.570 0.170 0.000 2.509 1072 I HA 0.313 4.483 4.170 0.000 0.000 0.293 1072 I C -0.487 175.667 176.117 0.062 0.000 1.020 1072 I CA -0.893 60.480 61.300 0.122 0.000 1.088 1072 I CB 1.941 40.041 38.000 0.166 0.000 1.267 1072 I HN 0.067 nan 8.210 nan 0.000 0.430 1073 V N 7.633 127.539 119.914 -0.013 0.000 2.293 1073 V HA 0.274 4.395 4.120 0.000 0.000 0.275 1073 V C -1.995 173.955 176.094 -0.240 0.000 1.021 1073 V CA -1.480 60.777 62.300 -0.071 0.000 0.815 1073 V CB 1.302 33.092 31.823 -0.054 0.000 1.025 1073 V HN 0.583 nan 8.190 nan 0.000 0.448 1074 P HA 0.181 nan 4.420 nan 0.000 0.272 1074 P C -0.569 176.309 177.300 -0.703 0.000 1.223 1074 P CA -0.332 62.169 63.100 -0.999 0.000 0.784 1074 P CB 1.055 32.335 31.700 -0.700 0.000 0.923 1075 D N 0.223 119.993 120.400 -1.051 0.000 2.399 1075 D HA 0.441 5.081 4.640 0.000 0.000 0.241 1075 D C 1.081 177.321 176.300 -0.100 0.000 1.133 1075 D CA 1.370 55.157 54.000 -0.354 0.000 0.890 1075 D CB 0.246 40.972 40.800 -0.123 0.000 1.201 1075 D HN 0.728 nan 8.370 nan 0.000 0.432 1076 G N 0.047 108.812 108.800 -0.058 0.000 2.408 1076 G HA2 0.045 4.005 3.960 0.000 0.000 0.682 1076 G HA3 0.045 4.005 3.960 0.000 0.000 0.682 1076 G C -1.393 173.333 174.900 -0.291 0.000 1.303 1076 G CA -0.902 44.174 45.100 -0.040 0.000 0.966 1076 G HN 0.343 nan 8.290 nan 0.000 0.560 1077 I N 1.460 121.847 120.570 -0.305 0.000 2.846 1077 I HA 0.468 4.638 4.170 0.000 0.000 0.307 1077 I C 0.097 175.979 176.117 -0.392 0.000 1.053 1077 I CA -0.681 60.390 61.300 -0.383 0.000 1.050 1077 I CB 1.697 39.595 38.000 -0.171 0.000 1.239 1077 I HN 0.913 nan 8.210 nan 0.000 0.439 1078 D N 3.716 123.923 120.400 -0.321 0.000 2.478 1078 D HA 0.220 4.860 4.640 0.000 0.000 0.263 1078 D C 0.604 176.891 176.300 -0.021 0.000 1.153 1078 D CA -0.391 53.564 54.000 -0.074 0.000 1.038 1078 D CB 0.949 41.735 40.800 -0.023 0.000 1.120 1078 D HN 0.437 nan 8.370 nan 0.000 0.564 1079 K N -0.397 120.017 120.400 0.023 0.000 2.144 1079 K HA -0.207 4.113 4.320 0.000 0.000 0.209 1079 K C 0.577 177.174 176.600 -0.004 0.000 1.047 1079 K CA 1.676 57.971 56.287 0.014 0.000 0.927 1079 K CB -0.470 32.044 32.500 0.023 0.000 0.716 1079 K HN 0.345 nan 8.250 nan 0.000 0.454 1080 N N -0.717 117.975 118.700 -0.013 0.000 2.279 1080 N HA 0.127 4.867 4.740 0.000 0.000 0.226 1080 N C 0.424 175.914 175.510 -0.033 0.000 1.126 1080 N CA 0.578 53.616 53.050 -0.019 0.000 0.846 1080 N CB 1.333 39.812 38.487 -0.013 0.000 1.050 1080 N HN 0.375 nan 8.380 nan 0.000 0.502 1081 G N 0.360 109.131 108.800 -0.047 0.000 2.199 1081 G HA2 -0.337 3.623 3.960 0.000 0.000 0.254 1081 G HA3 -0.337 3.623 3.960 0.000 0.000 0.254 1081 G C 0.039 174.890 174.900 -0.082 0.000 0.982 1081 G CA 0.456 45.521 45.100 -0.059 0.000 0.632 1081 G HN 0.514 nan 8.290 nan 0.000 0.529 1082 K N 1.080 121.423 120.400 -0.094 0.000 2.098 1082 K HA 0.686 5.006 4.320 0.000 0.000 0.258 1082 K C -2.747 173.733 176.600 -0.200 0.000 0.973 1082 K CA -2.182 54.038 56.287 -0.112 0.000 0.898 1082 K CB 2.435 34.890 32.500 -0.075 0.000 1.057 1082 K HN 0.121 nan 8.250 nan 0.000 0.447 1083 P HA 0.010 nan 4.420 nan 0.000 0.275 1083 P C -0.792 176.352 177.300 -0.260 0.000 1.228 1083 P CA -0.116 62.810 63.100 -0.291 0.000 0.786 1083 P CB 0.431 32.030 31.700 -0.168 0.000 0.927 1084 H N 1.400 120.422 119.070 -0.080 0.000 2.928 1084 H HA 0.036 4.592 4.556 0.000 0.000 0.338 1084 H C 0.941 176.232 175.328 -0.062 0.000 1.047 1084 H CA 0.344 56.348 56.048 -0.074 0.000 1.435 1084 H CB 0.311 30.010 29.762 -0.105 0.000 1.428 1084 H HN 0.450 nan 8.280 nan 0.000 0.590 1085 K N 2.239 122.688 120.400 0.082 0.000 2.168 1085 K HA 0.309 4.629 4.320 0.000 0.000 0.258 1085 K C 0.167 176.787 176.600 0.033 0.000 1.010 1085 K CA -0.846 55.462 56.287 0.035 0.000 0.929 1085 K CB 0.623 33.137 32.500 0.023 0.000 0.998 1085 K HN 0.320 nan 8.250 nan 0.000 0.479 1086 L N -1.082 120.152 121.223 0.018 0.000 2.476 1086 L HA 0.451 4.791 4.340 0.000 0.000 0.255 1086 L C -0.413 176.460 176.870 0.004 0.000 1.218 1086 L CA -0.303 54.548 54.840 0.019 0.000 0.819 1086 L CB 0.128 42.201 42.059 0.023 0.000 1.119 1086 L HN 0.567 nan 8.230 nan 0.000 0.485 1087 R N 0.569 121.081 120.500 0.019 0.000 2.686 1087 R HA 0.737 5.077 4.340 0.000 0.000 0.283 1087 R C -1.251 174.950 176.300 -0.165 0.000 0.978 1087 R CA -0.544 55.509 56.100 -0.078 0.000 0.897 1087 R CB 1.662 31.957 30.300 -0.007 0.000 1.192 1087 R HN 0.713 nan 8.270 nan 0.000 0.457 1088 L N 2.996 123.985 121.223 -0.390 0.000 2.343 1088 L HA 0.557 4.897 4.340 0.000 0.000 0.275 1088 L C -0.889 175.487 176.870 -0.824 0.000 1.056 1088 L CA -0.599 54.013 54.840 -0.379 0.000 0.804 1088 L CB 0.765 42.663 42.059 -0.268 0.000 1.203 1088 L HN 0.543 nan 8.230 nan 0.000 0.440 1089 Y N -0.217 120.004 120.300 -0.130 0.000 2.470 1089 Y HA 0.254 4.804 4.550 0.000 0.000 0.341 1089 Y C 0.121 175.930 175.900 -0.151 0.000 1.021 1089 Y CA -0.764 57.241 58.100 -0.159 0.000 1.025 1089 Y CB 2.158 40.556 38.460 -0.102 0.000 1.266 1089 Y HN 0.440 nan 8.280 nan 0.000 0.448 1090 S N 3.279 118.949 115.700 -0.051 0.000 2.562 1090 S HA 0.337 4.807 4.470 0.000 0.000 0.281 1090 S C 0.008 174.551 174.600 -0.095 0.000 1.333 1090 S CA -0.447 57.706 58.200 -0.078 0.000 1.052 1090 S CB 0.136 63.282 63.200 -0.090 0.000 0.884 1090 S HN 0.412 nan 8.310 nan 0.000 0.506 1091 I N 2.350 122.825 120.570 -0.157 0.000 2.471 1091 I HA 0.144 4.314 4.170 0.000 0.000 0.286 1091 I C 1.038 177.025 176.117 -0.216 0.000 1.079 1091 I CA -0.167 60.977 61.300 -0.259 0.000 1.398 1091 I CB 0.899 38.637 38.000 -0.436 0.000 1.403 1091 I HN 0.795 nan 8.210 nan 0.000 0.530 1092 A N 4.822 127.502 122.820 -0.235 0.000 2.345 1092 A HA 0.203 4.523 4.320 0.000 0.000 0.225 1092 A C 0.729 178.119 177.584 -0.324 0.000 1.243 1092 A CA 0.034 51.938 52.037 -0.222 0.000 0.875 1092 A CB -0.268 18.645 19.000 -0.145 0.000 0.929 1092 A HN 0.705 nan 8.150 nan 0.000 0.502 1093 S N -0.586 114.938 115.700 -0.294 0.000 2.638 1093 S HA 0.675 5.145 4.470 0.000 0.000 0.302 1093 S C 0.211 174.776 174.600 -0.058 0.000 1.096 1093 S CA 0.091 58.105 58.200 -0.308 0.000 0.953 1093 S CB 1.377 64.416 63.200 -0.269 0.000 1.107 1093 S HN 0.688 nan 8.310 nan 0.000 0.503 1094 S N 0.706 116.403 115.700 -0.005 0.000 2.640 1094 S HA 0.601 5.071 4.470 0.000 0.000 0.262 1094 S C 1.460 176.162 174.600 0.171 0.000 1.232 1094 S CA -0.350 57.929 58.200 0.131 0.000 0.988 1094 S CB 0.008 63.330 63.200 0.203 0.000 1.034 1094 S HN 1.426 nan 8.310 nan 0.000 0.569 1095 A N 0.519 123.345 122.820 0.009 0.000 1.972 1095 A HA 0.018 4.339 4.320 0.000 0.000 0.219 1095 A C 2.068 179.518 177.584 -0.223 0.000 1.169 1095 A CA 1.456 53.323 52.037 -0.284 0.000 0.635 1095 A CB -1.165 17.666 19.000 -0.283 0.000 0.810 1095 A HN 1.029 nan 8.150 nan 0.000 0.446 1096 I N -4.282 116.285 120.570 -0.006 0.000 3.419 1096 I HA 0.455 4.626 4.170 0.000 0.000 0.286 1096 I C 0.957 177.122 176.117 0.079 0.000 1.268 1096 I CA 0.408 61.736 61.300 0.047 0.000 1.414 1096 I CB -0.545 37.536 38.000 0.135 0.000 1.074 1096 I HN 0.425 nan 8.210 nan 0.000 0.457 1097 G N 1.867 110.720 108.800 0.089 0.000 2.746 1097 G HA2 -0.224 3.736 3.960 0.000 0.000 0.685 1097 G HA3 -0.224 3.736 3.960 0.000 0.000 0.685 1097 G C -0.250 174.666 174.900 0.026 0.000 1.350 1097 G CA -0.010 45.105 45.100 0.024 0.000 0.837 1097 G HN 0.256 nan 8.290 nan 0.000 0.564 1098 D N -0.352 119.939 120.400 -0.181 0.000 2.218 1098 D HA -0.035 4.605 4.640 0.000 0.000 0.204 1098 D C 2.092 178.578 176.300 0.311 0.000 0.976 1098 D CA 1.339 55.284 54.000 -0.092 0.000 0.853 1098 D CB -0.119 40.505 40.800 -0.295 0.000 0.939 1098 D HN 0.306 nan 8.370 nan 0.000 0.481 1099 F N -0.438 119.585 119.950 0.123 0.000 2.754 1099 F HA 0.257 4.784 4.527 0.000 0.000 0.297 1099 F C 2.250 178.118 175.800 0.114 0.000 1.122 1099 F CA 0.375 58.442 58.000 0.111 0.000 1.400 1099 F CB -0.411 38.635 39.000 0.077 0.000 1.117 1099 F HN 0.053 nan 8.300 nan 0.000 0.587 1100 G N 0.818 109.796 108.800 0.296 0.000 2.234 1100 G HA2 -0.373 3.587 3.960 0.000 0.000 0.260 1100 G HA3 -0.373 3.587 3.960 0.000 0.000 0.260 1100 G C 0.885 175.879 174.900 0.157 0.000 0.987 1100 G CA 0.718 45.945 45.100 0.212 0.000 0.625 1100 G HN 0.411 nan 8.290 nan 0.000 0.532 1101 D N 0.317 120.823 120.400 0.175 0.000 2.349 1101 D HA 0.265 4.906 4.640 0.000 0.000 0.224 1101 D C 1.211 177.567 176.300 0.094 0.000 1.029 1101 D CA 0.893 54.970 54.000 0.129 0.000 0.879 1101 D CB -0.575 40.314 40.800 0.148 0.000 0.906 1101 D HN 0.828 nan 8.370 nan 0.000 0.528 1102 S N -0.586 115.162 115.700 0.080 0.000 3.682 1102 S HA -0.196 4.275 4.470 0.000 0.000 0.354 1102 S C 0.399 175.017 174.600 0.031 0.000 1.034 1102 S CA 0.680 58.895 58.200 0.024 0.000 1.084 1102 S CB -1.726 61.473 63.200 -0.002 0.000 0.903 1102 S HN 0.607 nan 8.310 nan 0.000 0.470 1103 K N 0.253 120.695 120.400 0.071 0.000 2.734 1103 K HA 0.188 4.508 4.320 0.000 0.000 0.200 1103 K C 0.161 176.817 176.600 0.093 0.000 1.120 1103 K CA 0.394 56.731 56.287 0.084 0.000 1.067 1103 K CB 1.201 33.763 32.500 0.105 0.000 0.771 1103 K HN 0.608 nan 8.250 nan 0.000 0.481 1104 T N -3.265 111.323 114.554 0.056 0.000 2.843 1104 T HA 0.585 4.935 4.350 0.000 0.000 0.302 1104 T C -1.346 173.379 174.700 0.041 0.000 1.232 1104 T CA -0.813 61.283 62.100 -0.005 0.000 1.009 1104 T CB 2.248 70.972 68.868 -0.241 0.000 1.254 1104 T HN -0.118 nan 8.240 nan 0.000 0.504 1105 V N 0.949 120.838 119.914 -0.041 0.000 2.777 1105 V HA 0.718 4.838 4.120 0.000 0.000 0.306 1105 V C -1.149 174.736 176.094 -0.347 0.000 1.112 1105 V CA -0.332 61.889 62.300 -0.131 0.000 0.917 1105 V CB 2.278 34.034 31.823 -0.112 0.000 1.018 1105 V HN 1.276 nan 8.190 nan 0.000 0.426 1106 S N 6.785 122.224 115.700 -0.436 0.000 2.568 1106 S HA 0.835 5.305 4.470 0.000 0.000 0.302 1106 S C -0.840 173.429 174.600 -0.552 0.000 1.082 1106 S CA -0.682 57.161 58.200 -0.595 0.000 1.009 1106 S CB 1.795 64.695 63.200 -0.501 0.000 1.069 1106 S HN 0.674 nan 8.310 nan 0.000 0.500 1107 L N 0.724 121.555 121.223 -0.653 0.000 2.333 1107 L HA 0.624 4.964 4.340 0.000 0.000 0.263 1107 L C -0.947 175.757 176.870 -0.277 0.000 1.014 1107 L CA -0.794 53.809 54.840 -0.396 0.000 0.820 1107 L CB 2.011 43.844 42.059 -0.377 0.000 1.352 1107 L HN 0.727 nan 8.230 nan 0.000 0.421 1108 C N 2.837 122.105 119.300 -0.053 0.000 2.409 1108 C HA 0.639 5.099 4.460 0.000 0.000 0.297 1108 C C -0.231 174.821 174.990 0.103 0.000 1.083 1108 C CA -0.371 58.710 59.018 0.106 0.000 1.515 1108 C CB -0.149 27.738 27.740 0.245 0.000 1.869 1108 C HN 0.473 nan 8.230 nan 0.000 0.413 1109 V N 5.709 125.671 119.914 0.080 0.000 2.427 1109 V HA 0.459 4.579 4.120 0.000 0.000 0.286 1109 V C -0.043 176.160 176.094 0.182 0.000 1.034 1109 V CA -0.462 61.901 62.300 0.105 0.000 0.893 1109 V CB 1.733 33.531 31.823 -0.041 0.000 0.982 1109 V HN 0.738 nan 8.190 nan 0.000 0.452 1110 K N 4.640 125.153 120.400 0.188 0.000 2.213 1110 K HA 0.351 4.671 4.320 0.000 0.000 0.270 1110 K C -0.051 176.658 176.600 0.181 0.000 1.002 1110 K CA -0.359 56.039 56.287 0.185 0.000 0.868 1110 K CB 0.794 33.396 32.500 0.170 0.000 1.093 1110 K HN 0.613 nan 8.250 nan 0.000 0.454 1111 R N 4.937 125.554 120.500 0.195 0.000 2.288 1111 R HA 0.126 4.466 4.340 0.000 0.000 0.330 1111 R C -0.712 175.667 176.300 0.132 0.000 1.069 1111 R CA -0.579 55.611 56.100 0.149 0.000 0.941 1111 R CB 0.090 30.492 30.300 0.171 0.000 0.998 1111 R HN 0.612 nan 8.270 nan 0.000 0.452 1112 L N 6.540 127.838 121.223 0.124 0.000 2.407 1112 L HA 0.208 4.549 4.340 0.000 0.000 0.282 1112 L C -1.260 175.677 176.870 0.111 0.000 1.110 1112 L CA 0.234 55.164 54.840 0.150 0.000 0.863 1112 L CB 0.999 43.163 42.059 0.175 0.000 1.207 1112 L HN 0.278 nan 8.230 nan 0.000 0.454 1113 V N 7.078 127.066 119.914 0.124 0.000 2.638 1113 V HA 0.624 4.744 4.120 0.000 0.000 0.306 1113 V C -0.728 175.448 176.094 0.137 0.000 1.052 1113 V CA -0.547 61.774 62.300 0.036 0.000 0.885 1113 V CB 1.316 33.161 31.823 0.037 0.000 0.999 1113 V HN 0.764 nan 8.190 nan 0.000 0.424 1114 Y N 1.206 121.526 120.300 0.032 0.000 2.764 1114 Y HA 0.860 5.410 4.550 0.000 0.000 0.331 1114 Y C -0.495 175.419 175.900 0.024 0.000 1.280 1114 Y CA -0.964 57.154 58.100 0.029 0.000 1.065 1114 Y CB 1.782 40.260 38.460 0.030 0.000 1.319 1114 Y HN 0.576 nan 8.280 nan 0.000 0.453 1115 T N 1.118 115.883 114.554 0.351 0.000 2.881 1115 T HA 0.541 4.891 4.350 0.000 0.000 0.290 1115 T C -1.141 173.737 174.700 0.297 0.000 1.000 1115 T CA -0.859 61.365 62.100 0.206 0.000 0.978 1115 T CB 0.584 69.510 68.868 0.096 0.000 0.997 1115 T HN 0.937 nan 8.240 nan 0.000 0.443 1116 N N 2.515 121.361 118.700 0.243 0.000 2.445 1116 N HA 0.173 4.913 4.740 0.000 0.000 0.264 1116 N C 0.597 176.170 175.510 0.104 0.000 1.227 1116 N CA -0.335 52.832 53.050 0.196 0.000 0.963 1116 N CB 0.220 38.817 38.487 0.183 0.000 1.188 1116 N HN 0.825 nan 8.380 nan 0.000 0.491 1117 D N -1.376 119.068 120.400 0.074 0.000 2.354 1117 D HA -0.119 4.521 4.640 0.000 0.000 0.216 1117 D C 1.042 177.368 176.300 0.042 0.000 0.970 1117 D CA 0.946 54.976 54.000 0.049 0.000 0.905 1117 D CB -0.245 40.576 40.800 0.035 0.000 0.903 1117 D HN 0.619 nan 8.370 nan 0.000 0.508 1118 A N -0.223 122.626 122.820 0.048 0.000 2.259 1118 A HA 0.496 4.816 4.320 0.000 0.000 0.208 1118 A C 2.108 179.711 177.584 0.032 0.000 1.201 1118 A CA 0.488 52.547 52.037 0.037 0.000 0.824 1118 A CB -0.804 18.218 19.000 0.037 0.000 0.838 1118 A HN 0.550 nan 8.150 nan 0.000 0.485 1119 G N -0.736 108.087 108.800 0.038 0.000 2.184 1119 G HA2 -0.269 3.691 3.960 0.000 0.000 0.264 1119 G HA3 -0.269 3.691 3.960 0.000 0.000 0.264 1119 G C -0.052 174.864 174.900 0.026 0.000 0.975 1119 G CA 0.514 45.633 45.100 0.031 0.000 0.642 1119 G HN 0.642 nan 8.290 nan 0.000 0.536 1120 E N -0.188 120.027 120.200 0.025 0.000 2.266 1120 E HA 0.503 4.853 4.350 0.000 0.000 0.277 1120 E C 0.145 176.736 176.600 -0.015 0.000 1.018 1120 E CA -0.757 55.645 56.400 0.004 0.000 0.840 1120 E CB 2.153 31.852 29.700 -0.003 0.000 1.082 1120 E HN 0.089 nan 8.360 nan 0.000 0.395 1121 V N 4.120 124.010 119.914 -0.040 0.000 2.387 1121 V HA 0.058 4.178 4.120 0.000 0.000 0.260 1121 V C -0.031 175.958 176.094 -0.176 0.000 1.054 1121 V CA -0.368 61.884 62.300 -0.079 0.000 0.967 1121 V CB 0.353 32.146 31.823 -0.050 0.000 1.036 1121 V HN 0.412 nan 8.190 nan 0.000 0.481 1122 V N 6.002 125.692 119.914 -0.373 0.000 2.567 1122 V HA 0.397 4.517 4.120 0.000 0.000 0.289 1122 V C 0.187 175.951 176.094 -0.549 0.000 1.049 1122 V CA -0.756 61.205 62.300 -0.565 0.000 0.969 1122 V CB 1.580 32.818 31.823 -0.975 0.000 0.995 1122 V HN 0.812 nan 8.190 nan 0.000 0.471 1123 K N 2.883 123.096 120.400 -0.312 0.000 2.413 1123 K HA 0.537 4.857 4.320 0.000 0.000 0.257 1123 K C 0.323 176.858 176.600 -0.108 0.000 0.946 1123 K CA -0.474 55.712 56.287 -0.168 0.000 0.823 1123 K CB 1.923 34.366 32.500 -0.095 0.000 1.109 1123 K HN 0.892 nan 8.250 nan 0.000 0.427 1124 G N 1.309 110.094 108.800 -0.026 0.000 2.474 1124 G HA2 0.012 3.972 3.960 0.000 0.000 0.233 1124 G HA3 0.012 3.972 3.960 0.000 0.000 0.233 1124 G C 1.117 176.009 174.900 -0.013 0.000 1.278 1124 G CA -0.552 44.565 45.100 0.029 0.000 0.861 1124 G HN 0.371 nan 8.290 nan 0.000 0.567 1125 V N 1.731 121.614 119.914 -0.051 0.000 2.237 1125 V HA -0.237 3.883 4.120 0.000 0.000 0.245 1125 V C 2.924 178.964 176.094 -0.090 0.000 1.046 1125 V CA 2.155 64.372 62.300 -0.139 0.000 1.007 1125 V CB -0.980 30.639 31.823 -0.340 0.000 0.638 1125 V HN 0.897 nan 8.190 nan 0.000 0.445 1126 C N 0.835 120.109 119.300 -0.043 0.000 2.462 1126 C HA -0.115 4.345 4.460 0.000 0.000 0.278 1126 C C 3.400 178.467 174.990 0.129 0.000 1.253 1126 C CA 1.401 60.457 59.018 0.063 0.000 1.713 1126 C CB -1.021 26.806 27.740 0.144 0.000 2.049 1126 C HN 0.791 nan 8.230 nan 0.000 0.477 1127 S N 0.835 116.606 115.700 0.119 0.000 2.400 1127 S HA -0.171 4.299 4.470 0.000 0.000 0.232 1127 S C 1.514 176.110 174.600 -0.006 0.000 1.025 1127 S CA 1.757 60.001 58.200 0.073 0.000 0.993 1127 S CB -0.750 62.525 63.200 0.124 0.000 0.808 1127 S HN 0.735 nan 8.310 nan 0.000 0.478 1128 N N 0.262 118.964 118.700 0.003 0.000 2.446 1128 N HA 0.089 4.829 4.740 0.000 0.000 0.179 1128 N C 1.248 176.722 175.510 -0.060 0.000 1.054 1128 N CA 0.747 53.765 53.050 -0.053 0.000 0.905 1128 N CB -0.214 38.253 38.487 -0.035 0.000 0.973 1128 N HN 0.545 nan 8.380 nan 0.000 0.448 1129 F N 2.045 121.911 119.950 -0.142 0.000 2.098 1129 F HA 0.044 4.571 4.527 0.000 0.000 0.294 1129 F C 2.072 177.769 175.800 -0.172 0.000 1.107 1129 F CA 0.846 58.761 58.000 -0.141 0.000 1.234 1129 F CB -0.447 38.481 39.000 -0.120 0.000 1.002 1129 F HN -0.153 nan 8.300 nan 0.000 0.472 1130 L N -0.356 120.741 121.223 -0.210 0.000 2.046 1130 L HA -0.274 4.066 4.340 0.000 0.000 0.208 1130 L C 2.497 179.124 176.870 -0.406 0.000 1.077 1130 L CA 1.438 56.078 54.840 -0.333 0.000 0.747 1130 L CB -1.099 40.828 42.059 -0.220 0.000 0.896 1130 L HN 0.288 nan 8.230 nan 0.000 0.432 1131 C N -0.391 118.645 119.300 -0.441 0.000 2.456 1131 C HA -0.063 4.397 4.460 0.000 0.000 0.279 1131 C C 1.774 176.230 174.990 -0.891 0.000 1.427 1131 C CA 0.212 58.732 59.018 -0.830 0.000 1.778 1131 C CB -0.812 26.425 27.740 -0.837 0.000 1.842 1131 C HN 0.497 nan 8.230 nan 0.000 0.531 1132 D N 0.165 120.232 120.400 -0.555 0.000 2.369 1132 D HA 0.180 4.820 4.640 0.000 0.000 0.211 1132 D C 0.579 176.642 176.300 -0.394 0.000 1.077 1132 D CA 0.088 53.824 54.000 -0.439 0.000 0.842 1132 D CB -0.030 40.605 40.800 -0.275 0.000 0.947 1132 D HN 0.418 nan 8.370 nan 0.000 0.509 1133 L N 1.469 122.414 121.223 -0.465 0.000 2.490 1133 L HA 0.009 4.349 4.340 0.000 0.000 0.274 1133 L C 0.593 177.317 176.870 -0.242 0.000 1.201 1133 L CA 0.410 55.011 54.840 -0.398 0.000 0.869 1133 L CB 0.515 42.334 42.059 -0.400 0.000 1.123 1133 L HN -0.345 nan 8.230 nan 0.000 0.484 1134 K N 4.244 124.541 120.400 -0.171 0.000 2.156 1134 K HA 0.431 4.751 4.320 0.000 0.000 0.254 1134 K C -2.327 174.242 176.600 -0.053 0.000 0.950 1134 K CA -2.356 53.875 56.287 -0.092 0.000 0.849 1134 K CB 1.164 33.620 32.500 -0.073 0.000 1.100 1134 K HN 0.192 nan 8.250 nan 0.000 0.434 1135 P HA -0.012 nan 4.420 nan 0.000 0.261 1135 P C 0.648 177.952 177.300 0.006 0.000 1.183 1135 P CA 1.047 64.158 63.100 0.019 0.000 0.761 1135 P CB 0.324 32.047 31.700 0.039 0.000 0.785 1136 G N 1.750 110.555 108.800 0.009 0.000 2.259 1136 G HA2 -0.205 3.755 3.960 0.000 0.000 0.217 1136 G HA3 -0.205 3.755 3.960 0.000 0.000 0.217 1136 G C 0.444 175.327 174.900 -0.028 0.000 1.001 1136 G CA -0.189 44.909 45.100 -0.003 0.000 0.627 1136 G HN 0.557 nan 8.290 nan 0.000 0.501 1137 S N 1.283 116.952 115.700 -0.051 0.000 2.592 1137 S HA 0.488 4.958 4.470 0.000 0.000 0.271 1137 S C 0.319 174.861 174.600 -0.097 0.000 1.326 1137 S CA -0.267 57.888 58.200 -0.075 0.000 1.024 1137 S CB 1.197 64.331 63.200 -0.110 0.000 0.921 1137 S HN 0.493 nan 8.310 nan 0.000 0.527 1138 E N 0.404 120.551 120.200 -0.088 0.000 2.319 1138 E HA 0.503 4.853 4.350 0.000 0.000 0.268 1138 E C -0.951 175.571 176.600 -0.130 0.000 1.050 1138 E CA -0.520 55.810 56.400 -0.117 0.000 0.878 1138 E CB 1.385 31.027 29.700 -0.095 0.000 1.066 1138 E HN 0.239 nan 8.360 nan 0.000 0.406 1139 V N 2.298 122.083 119.914 -0.214 0.000 2.668 1139 V HA 0.185 4.305 4.120 0.000 0.000 0.304 1139 V C -1.415 174.553 176.094 -0.210 0.000 1.071 1139 V CA -0.817 61.349 62.300 -0.223 0.000 0.894 1139 V CB 1.618 33.083 31.823 -0.597 0.000 1.008 1139 V HN 0.555 nan 8.190 nan 0.000 0.425 1140 K N 7.723 128.057 120.400 -0.111 0.000 2.292 1140 K HA 0.488 4.809 4.320 0.000 0.000 0.290 1140 K C -0.569 175.986 176.600 -0.074 0.000 1.083 1140 K CA -0.017 56.207 56.287 -0.104 0.000 0.918 1140 K CB 0.731 33.185 32.500 -0.077 0.000 1.089 1140 K HN 0.585 nan 8.250 nan 0.000 0.473 1141 I N 2.577 123.107 120.570 -0.067 0.000 2.428 1141 I HA 0.175 4.345 4.170 0.000 0.000 0.296 1141 I C 0.644 176.769 176.117 0.014 0.000 0.985 1141 I CA -0.562 60.728 61.300 -0.016 0.000 1.260 1141 I CB 1.658 39.664 38.000 0.010 0.000 1.389 1141 I HN 0.586 nan 8.210 nan 0.000 0.484 1142 T N 1.408 115.995 114.554 0.056 0.000 2.907 1142 T HA 0.895 5.245 4.350 0.000 0.000 0.292 1142 T C -0.090 174.687 174.700 0.129 0.000 1.043 1142 T CA -0.239 61.931 62.100 0.117 0.000 1.003 1142 T CB 2.211 71.136 68.868 0.096 0.000 1.084 1142 T HN 1.157 nan 8.240 nan 0.000 0.483 1143 G N 1.658 110.574 108.800 0.193 0.000 2.297 1143 G HA2 0.193 4.153 3.960 0.000 0.000 0.209 1143 G HA3 0.193 4.153 3.960 0.000 0.000 0.209 1143 G C -3.150 171.892 174.900 0.237 0.000 1.267 1143 G CA -0.369 44.828 45.100 0.163 0.000 1.127 1143 G HN 0.831 nan 8.290 nan 0.000 0.498 1144 P HA 0.555 nan 4.420 nan 0.000 0.275 1144 P C -0.639 176.713 177.300 0.086 0.000 1.266 1144 P CA -0.136 63.039 63.100 0.125 0.000 0.793 1144 P CB 1.597 33.392 31.700 0.158 0.000 1.074 1145 V N -0.554 119.396 119.914 0.061 0.000 2.808 1145 V HA 0.735 4.855 4.120 0.000 0.000 0.308 1145 V C 0.047 176.163 176.094 0.037 0.000 1.099 1145 V CA 0.251 62.577 62.300 0.044 0.000 0.920 1145 V CB 1.441 33.283 31.823 0.031 0.000 1.014 1145 V HN 1.134 nan 8.190 nan 0.000 0.425 1146 G N 3.893 112.715 108.800 0.037 0.000 2.697 1146 G HA2 0.062 4.022 3.960 0.000 0.000 0.684 1146 G HA3 0.062 4.022 3.960 0.000 0.000 0.684 1146 G C -0.661 174.268 174.900 0.047 0.000 1.274 1146 G CA -0.076 45.048 45.100 0.040 0.000 0.806 1146 G HN 0.739 nan 8.290 nan 0.000 0.644 1147 K N -0.023 120.409 120.400 0.052 0.000 2.608 1147 K HA 0.154 4.474 4.320 0.000 0.000 0.214 1147 K C 1.561 178.206 176.600 0.076 0.000 1.469 1147 K CA 0.512 56.831 56.287 0.053 0.000 1.012 1147 K CB 0.924 33.445 32.500 0.035 0.000 1.211 1147 K HN 0.452 nan 8.250 nan 0.000 0.627 1148 E N 1.011 121.264 120.200 0.088 0.000 2.028 1148 E HA -0.049 4.301 4.350 0.000 0.000 0.190 1148 E C 1.066 177.787 176.600 0.201 0.000 0.984 1148 E CA 1.295 57.765 56.400 0.116 0.000 0.800 1148 E CB 0.227 29.985 29.700 0.098 0.000 0.758 1148 E HN -0.001 nan 8.360 nan 0.000 0.448 1149 M N 1.502 121.236 119.600 0.222 0.000 2.729 1149 M HA 0.211 4.691 4.480 0.000 0.000 0.229 1149 M C -0.373 176.158 176.300 0.385 0.000 1.280 1149 M CA 0.147 55.665 55.300 0.363 0.000 1.012 1149 M CB -0.829 31.902 32.600 0.218 0.000 1.603 1149 M HN 0.101 nan 8.290 nan 0.000 0.452 1150 L N 0.316 121.693 121.223 0.257 0.000 2.453 1150 L HA 0.322 4.662 4.340 0.000 0.000 0.261 1150 L C 0.741 177.596 176.870 -0.026 0.000 1.179 1150 L CA -0.341 54.555 54.840 0.094 0.000 0.813 1150 L CB 0.511 42.581 42.059 0.018 0.000 1.110 1150 L HN 0.237 nan 8.230 nan 0.000 0.466 1151 M N 1.968 121.321 119.600 -0.412 0.000 2.226 1151 M HA 0.206 4.686 4.480 0.000 0.000 0.324 1151 M C -2.191 173.875 176.300 -0.390 0.000 1.112 1151 M CA -1.374 53.505 55.300 -0.702 0.000 1.176 1151 M CB 0.158 32.160 32.600 -0.997 0.000 1.430 1151 M HN 0.247 nan 8.290 nan 0.000 0.462 1152 P HA 0.137 nan 4.420 nan 0.000 0.275 1152 P C -0.437 176.730 177.300 -0.221 0.000 1.228 1152 P CA -0.123 62.689 63.100 -0.480 0.000 0.786 1152 P CB 0.632 31.870 31.700 -0.769 0.000 0.927 1153 K N 0.593 120.912 120.400 -0.135 0.000 2.148 1153 K HA -0.104 4.216 4.320 0.000 0.000 0.204 1153 K C 0.515 177.164 176.600 0.081 0.000 1.050 1153 K CA 0.969 57.248 56.287 -0.014 0.000 0.942 1153 K CB -0.259 32.244 32.500 0.004 0.000 0.724 1153 K HN 0.552 nan 8.250 nan 0.000 0.446 1154 D N 1.453 121.896 120.400 0.072 0.000 2.349 1154 D HA -0.015 4.625 4.640 0.000 0.000 0.266 1154 D C -1.730 174.674 176.300 0.174 0.000 1.293 1154 D CA -1.857 52.218 54.000 0.125 0.000 0.926 1154 D CB 1.073 41.979 40.800 0.176 0.000 1.090 1154 D HN 0.023 nan 8.370 nan 0.000 0.502 1155 P HA -0.022 nan 4.420 nan 0.000 0.247 1155 P C -0.210 177.068 177.300 -0.036 0.000 1.225 1155 P CA 0.483 63.567 63.100 -0.028 0.000 0.768 1155 P CB 0.280 31.802 31.700 -0.297 0.000 1.020 1156 N N -0.993 117.723 118.700 0.027 0.000 2.170 1156 N HA 0.220 4.960 4.740 0.000 0.000 0.222 1156 N C 0.375 175.942 175.510 0.095 0.000 1.218 1156 N CA -0.248 52.767 53.050 -0.058 0.000 0.889 1156 N CB 0.432 38.887 38.487 -0.054 0.000 1.083 1156 N HN 0.025 nan 8.380 nan 0.000 0.520 1157 A N 0.073 123.055 122.820 0.270 0.000 2.386 1157 A HA 0.332 4.652 4.320 0.000 0.000 0.246 1157 A C 0.246 178.081 177.584 0.418 0.000 1.089 1157 A CA 0.335 52.605 52.037 0.390 0.000 0.790 1157 A CB 0.136 19.457 19.000 0.536 0.000 1.042 1157 A HN 0.142 nan 8.150 nan 0.000 0.497 1158 T N 1.270 116.062 114.554 0.397 0.000 2.733 1158 T HA 0.462 4.812 4.350 0.000 0.000 0.294 1158 T C -0.461 174.503 174.700 0.439 0.000 0.956 1158 T CA -0.139 62.186 62.100 0.375 0.000 0.987 1158 T CB 0.460 69.491 68.868 0.271 0.000 0.920 1158 T HN 0.407 nan 8.240 nan 0.000 0.470 1159 V N 6.224 126.404 119.914 0.444 0.000 2.311 1159 V HA 0.422 4.542 4.120 0.000 0.000 0.275 1159 V C 0.059 176.344 176.094 0.318 0.000 1.022 1159 V CA -0.760 61.784 62.300 0.406 0.000 0.830 1159 V CB 0.633 32.630 31.823 0.291 0.000 1.012 1159 V HN 0.797 nan 8.190 nan 0.000 0.452 1160 I N 6.050 126.776 120.570 0.259 0.000 2.315 1160 I HA 0.473 4.643 4.170 0.000 0.000 0.291 1160 I C -0.078 176.023 176.117 -0.026 0.000 1.006 1160 I CA -0.109 61.261 61.300 0.117 0.000 1.265 1160 I CB 1.335 39.346 38.000 0.020 0.000 1.387 1160 I HN 0.451 nan 8.210 nan 0.000 0.475 1161 M N 7.724 127.194 119.600 -0.217 0.000 2.181 1161 M HA 0.527 5.007 4.480 0.000 0.000 0.323 1161 M C -1.144 174.868 176.300 -0.480 0.000 1.004 1161 M CA -0.393 54.445 55.300 -0.770 0.000 0.941 1161 M CB 1.880 33.572 32.600 -1.514 0.000 1.579 1161 M HN 0.359 nan 8.290 nan 0.000 0.427 1162 L N 2.724 123.777 121.223 -0.283 0.000 2.325 1162 L HA 0.971 5.311 4.340 0.000 0.000 0.281 1162 L C 0.119 177.142 176.870 0.255 0.000 1.004 1162 L CA -0.594 54.236 54.840 -0.018 0.000 0.823 1162 L CB 1.760 43.739 42.059 -0.133 0.000 1.236 1162 L HN 0.856 nan 8.230 nan 0.000 0.415 1163 G N 0.798 109.779 108.800 0.303 0.000 2.690 1163 G HA2 0.762 4.722 3.960 0.000 0.000 0.291 1163 G HA3 0.762 4.722 3.960 0.000 0.000 0.291 1163 G C -1.177 173.840 174.900 0.194 0.000 1.403 1163 G CA -0.466 44.819 45.100 0.309 0.000 0.864 1163 G HN 0.455 nan 8.290 nan 0.000 0.480 1164 T N -2.072 112.557 114.554 0.125 0.000 2.912 1164 T HA 0.729 5.079 4.350 0.000 0.000 0.299 1164 T C 0.984 175.743 174.700 0.098 0.000 1.052 1164 T CA 0.554 62.721 62.100 0.112 0.000 0.996 1164 T CB 1.400 70.312 68.868 0.073 0.000 1.070 1164 T HN 2.437 nan 8.240 nan 0.000 0.465 1165 G N 2.615 111.485 108.800 0.116 0.000 2.627 1165 G HA2 -0.389 3.572 3.960 0.000 0.000 0.312 1165 G HA3 -0.389 3.572 3.960 0.000 0.000 0.312 1165 G C 1.253 176.237 174.900 0.139 0.000 1.299 1165 G CA 1.780 46.950 45.100 0.115 0.000 0.989 1165 G HN 2.175 nan 8.290 nan 0.000 0.547 1166 T N -0.981 113.669 114.554 0.161 0.000 3.093 1166 T HA 0.145 4.495 4.350 0.000 0.000 0.270 1166 T C 2.266 177.069 174.700 0.173 0.000 1.170 1166 T CA 1.625 63.841 62.100 0.193 0.000 1.072 1166 T CB -0.621 68.388 68.868 0.235 0.000 0.863 1166 T HN 1.767 nan 8.240 nan 0.000 0.562 1167 G N 0.923 109.791 108.800 0.113 0.000 2.559 1167 G HA2 -0.026 3.934 3.960 0.000 0.000 0.216 1167 G HA3 -0.026 3.934 3.960 0.000 0.000 0.216 1167 G C 1.245 176.052 174.900 -0.155 0.000 1.126 1167 G CA 0.372 45.459 45.100 -0.022 0.000 0.778 1167 G HN 0.520 nan 8.290 nan 0.000 0.543 1168 I N 1.801 122.404 120.570 0.055 0.000 2.361 1168 I HA -0.015 4.155 4.170 0.000 0.000 0.251 1168 I C 2.866 179.011 176.117 0.046 0.000 1.133 1168 I CA 0.589 61.988 61.300 0.164 0.000 1.413 1168 I CB -0.569 37.671 38.000 0.400 0.000 1.073 1168 I HN 0.192 nan 8.210 nan 0.000 0.424 1169 A N 2.123 124.951 122.820 0.014 0.000 1.896 1169 A HA -0.199 4.121 4.320 0.000 0.000 0.220 1169 A C 0.094 177.551 177.584 -0.211 0.000 1.206 1169 A CA 2.578 54.585 52.037 -0.050 0.000 0.647 1169 A CB -2.465 16.520 19.000 -0.025 0.000 0.828 1169 A HN 0.459 nan 8.150 nan 0.000 0.455 1170 P HA -0.071 nan 4.420 nan 0.000 0.225 1170 P C 0.929 177.883 177.300 -0.576 0.000 1.156 1170 P CA 0.754 63.559 63.100 -0.493 0.000 0.787 1170 P CB -0.178 31.159 31.700 -0.606 0.000 0.802 1171 F N 0.906 120.611 119.950 -0.409 0.000 2.293 1171 F HA 0.084 4.611 4.527 0.000 0.000 0.297 1171 F C 2.783 178.536 175.800 -0.079 0.000 1.089 1171 F CA 0.213 57.977 58.000 -0.392 0.000 1.377 1171 F CB -1.497 37.356 39.000 -0.245 0.000 1.051 1171 F HN -0.103 nan 8.300 nan 0.000 0.511 1172 R N -0.141 120.477 120.500 0.196 0.000 2.115 1172 R HA -0.133 4.207 4.340 0.000 0.000 0.230 1172 R C 2.403 178.767 176.300 0.108 0.000 1.111 1172 R CA 1.440 57.684 56.100 0.239 0.000 0.976 1172 R CB -0.391 29.889 30.300 -0.034 0.000 0.870 1172 R HN 0.187 nan 8.270 nan 0.000 0.445 1173 S N -0.399 115.317 115.700 0.026 0.000 2.387 1173 S HA -0.071 4.399 4.470 0.000 0.000 0.226 1173 S C 1.552 176.297 174.600 0.241 0.000 1.026 1173 S CA 0.729 58.973 58.200 0.074 0.000 0.972 1173 S CB -0.227 63.006 63.200 0.054 0.000 0.814 1173 S HN 0.348 nan 8.310 nan 0.000 0.477 1174 F N 1.962 121.884 119.950 -0.048 0.000 2.084 1174 F HA 0.095 4.622 4.527 0.000 0.000 0.296 1174 F C 2.108 177.793 175.800 -0.192 0.000 1.111 1174 F CA 0.643 58.548 58.000 -0.158 0.000 1.224 1174 F CB -1.182 37.715 39.000 -0.173 0.000 0.991 1174 F HN 0.183 nan 8.300 nan 0.000 0.471 1175 L N -2.301 118.981 121.223 0.098 0.000 2.083 1175 L HA -0.238 4.102 4.340 0.000 0.000 0.209 1175 L C 2.335 179.138 176.870 -0.111 0.000 1.083 1175 L CA 1.114 55.896 54.840 -0.096 0.000 0.752 1175 L CB -0.800 41.254 42.059 -0.008 0.000 0.899 1175 L HN 0.170 nan 8.230 nan 0.000 0.433 1176 W N 0.807 122.002 121.300 -0.175 0.000 2.358 1176 W HA -0.173 4.487 4.660 0.000 0.000 0.303 1176 W C 2.790 179.323 176.519 0.024 0.000 1.208 1176 W CA 1.415 58.700 57.345 -0.099 0.000 1.274 1176 W CB -0.190 29.275 29.460 0.008 0.000 1.138 1176 W HN 0.064 nan 8.180 nan 0.000 0.515 1177 K N -0.335 120.181 120.400 0.194 0.000 2.031 1177 K HA -0.151 4.169 4.320 0.000 0.000 0.205 1177 K C 1.989 178.635 176.600 0.078 0.000 1.049 1177 K CA 1.552 57.924 56.287 0.141 0.000 0.939 1177 K CB -0.385 32.076 32.500 -0.065 0.000 0.717 1177 K HN 0.053 nan 8.250 nan 0.000 0.438 1178 M N -0.418 119.081 119.600 -0.167 0.000 2.099 1178 M HA -0.094 4.386 4.480 0.000 0.000 0.262 1178 M C 1.157 177.249 176.300 -0.347 0.000 1.067 1178 M CA 1.593 56.674 55.300 -0.364 0.000 1.124 1178 M CB -0.028 31.934 32.600 -1.063 0.000 1.353 1178 M HN 0.083 nan 8.290 nan 0.000 0.410 1179 F N -2.579 117.369 119.950 -0.003 0.000 2.678 1179 F HA 0.200 4.727 4.527 0.000 0.000 0.305 1179 F C 1.040 176.942 175.800 0.169 0.000 1.090 1179 F CA -0.141 57.862 58.000 0.005 0.000 1.272 1179 F CB 0.241 39.151 39.000 -0.150 0.000 1.060 1179 F HN -0.010 nan 8.300 nan 0.000 0.576 1180 F N 0.193 120.132 119.950 -0.018 0.000 2.746 1180 F HA 0.323 4.850 4.527 0.000 0.000 0.320 1180 F C 0.265 176.000 175.800 -0.109 0.000 1.097 1180 F CA -0.486 57.403 58.000 -0.185 0.000 1.195 1180 F CB -0.066 38.581 39.000 -0.589 0.000 1.056 1180 F HN -0.115 nan 8.300 nan 0.000 0.562 1181 E N 0.192 120.488 120.200 0.160 0.000 2.317 1181 E HA 0.357 4.707 4.350 0.000 0.000 0.270 1181 E C -0.882 175.679 176.600 -0.066 0.000 0.885 1181 E CA -1.110 55.302 56.400 0.020 0.000 0.760 1181 E CB 2.453 32.201 29.700 0.081 0.000 1.227 1181 E HN -0.302 nan 8.360 nan 0.000 0.434 1182 K N 2.872 123.138 120.400 -0.223 0.000 2.292 1182 K HA 0.210 4.530 4.320 0.000 0.000 0.270 1182 K C -1.451 174.963 176.600 -0.311 0.000 1.062 1182 K CA -0.228 55.965 56.287 -0.157 0.000 0.916 1182 K CB 0.139 32.587 32.500 -0.086 0.000 1.166 1182 K HN 0.465 nan 8.250 nan 0.000 0.458 1183 H N 2.473 121.596 119.070 0.088 0.000 2.524 1183 H HA 0.157 4.713 4.556 0.000 0.000 0.353 1183 H C -0.507 174.867 175.328 0.076 0.000 1.136 1183 H CA -0.526 55.573 56.048 0.084 0.000 1.193 1183 H CB 2.091 31.920 29.762 0.111 0.000 1.558 1183 H HN 0.711 nan 8.280 nan 0.000 0.515 1184 E N 1.213 121.514 120.200 0.168 0.000 2.359 1184 E HA -0.008 4.342 4.350 0.000 0.000 0.187 1184 E C -0.253 176.408 176.600 0.103 0.000 1.081 1184 E CA 0.220 56.682 56.400 0.104 0.000 0.929 1184 E CB 0.347 30.090 29.700 0.070 0.000 1.086 1184 E HN 0.564 nan 8.360 nan 0.000 0.462 1185 D N -0.838 119.649 120.400 0.144 0.000 2.097 1185 D HA -0.064 4.576 4.640 0.000 0.000 0.325 1185 D C -0.378 176.020 176.300 0.163 0.000 1.087 1185 D CA -0.128 53.945 54.000 0.121 0.000 0.917 1185 D CB 0.298 41.161 40.800 0.105 0.000 1.784 1185 D HN 0.070 nan 8.370 nan 0.000 0.532 1186 Y N 2.637 122.975 120.300 0.064 0.000 2.478 1186 Y HA 0.315 4.865 4.550 0.000 0.000 0.329 1186 Y C -0.538 175.430 175.900 0.114 0.000 0.967 1186 Y CA -0.295 57.841 58.100 0.060 0.000 1.255 1186 Y CB 0.880 39.331 38.460 -0.015 0.000 1.103 1186 Y HN -0.260 nan 8.280 nan 0.000 0.497 1187 Q N 6.970 126.673 119.800 -0.162 0.000 2.523 1187 Q HA 0.209 4.549 4.340 0.000 0.000 0.251 1187 Q C -1.382 174.469 176.000 -0.248 0.000 1.033 1187 Q CA -0.853 54.894 55.803 -0.093 0.000 0.746 1187 Q CB 0.548 29.267 28.738 -0.032 0.000 1.189 1187 Q HN 0.672 nan 8.270 nan 0.000 0.508 1188 F N 3.602 123.272 119.950 -0.467 0.000 2.538 1188 F HA 0.119 4.646 4.527 0.000 0.000 0.371 1188 F C 0.404 176.129 175.800 -0.124 0.000 1.087 1188 F CA 0.826 58.562 58.000 -0.440 0.000 1.250 1188 F CB 0.543 39.357 39.000 -0.311 0.000 1.110 1188 F HN 0.554 nan 8.300 nan 0.000 0.570 1189 N N 3.331 121.544 118.700 -0.812 0.000 2.217 1189 N HA 0.138 4.878 4.740 0.000 0.000 0.239 1189 N C 0.407 175.514 175.510 -0.671 0.000 1.330 1189 N CA 0.190 52.899 53.050 -0.569 0.000 0.838 1189 N CB 0.805 39.133 38.487 -0.264 0.000 1.287 1189 N HN 0.797 nan 8.380 nan 0.000 0.498 1190 G N 0.500 108.519 108.800 -1.302 0.000 2.714 1190 G HA2 0.465 4.425 3.960 0.000 0.000 0.197 1190 G HA3 0.465 4.425 3.960 0.000 0.000 0.197 1190 G C -0.702 174.010 174.900 -0.314 0.000 1.449 1190 G CA -0.130 44.594 45.100 -0.627 0.000 1.065 1190 G HN 0.100 nan 8.290 nan 0.000 0.575 1191 L N -0.436 120.892 121.223 0.175 0.000 2.365 1191 L HA 0.800 5.140 4.340 0.000 0.000 0.273 1191 L C -0.234 176.993 176.870 0.595 0.000 1.000 1191 L CA -0.874 54.174 54.840 0.346 0.000 0.819 1191 L CB 1.713 43.904 42.059 0.220 0.000 1.284 1191 L HN 0.682 nan 8.230 nan 0.000 0.418 1192 A N 4.575 127.775 122.820 0.633 0.000 2.311 1192 A HA 0.619 4.939 4.320 0.000 0.000 0.306 1192 A C -1.934 175.924 177.584 0.457 0.000 1.189 1192 A CA -0.416 51.966 52.037 0.575 0.000 0.791 1192 A CB 0.590 19.962 19.000 0.620 0.000 1.172 1192 A HN 0.701 nan 8.150 nan 0.000 0.481 1193 W N 4.123 125.488 121.300 0.109 0.000 2.471 1193 W HA 0.608 5.268 4.660 0.000 0.000 0.318 1193 W C -1.993 174.449 176.519 -0.129 0.000 1.034 1193 W CA -1.391 55.886 57.345 -0.113 0.000 1.224 1193 W CB 1.626 31.057 29.460 -0.047 0.000 1.335 1193 W HN 0.575 nan 8.180 nan 0.000 0.452 1194 L N 6.492 127.766 121.223 0.084 0.000 2.329 1194 L HA 0.673 5.013 4.340 0.000 0.000 0.279 1194 L C -1.786 174.918 176.870 -0.278 0.000 1.014 1194 L CA -0.243 54.550 54.840 -0.078 0.000 0.814 1194 L CB 1.180 43.195 42.059 -0.075 0.000 1.257 1194 L HN 0.180 nan 8.230 nan 0.000 0.424 1195 F N 5.867 125.721 119.950 -0.160 0.000 2.507 1195 F HA 0.587 5.114 4.527 0.000 0.000 0.328 1195 F C -0.766 175.026 175.800 -0.013 0.000 1.136 1195 F CA -0.549 57.381 58.000 -0.117 0.000 0.930 1195 F CB 1.937 40.841 39.000 -0.160 0.000 1.166 1195 F HN 0.308 nan 8.300 nan 0.000 0.436 1196 L N 3.324 124.672 121.223 0.208 0.000 2.356 1196 L HA 0.885 5.225 4.340 0.000 0.000 0.277 1196 L C -0.374 176.674 176.870 0.297 0.000 0.996 1196 L CA -0.360 54.650 54.840 0.283 0.000 0.822 1196 L CB 1.717 44.007 42.059 0.386 0.000 1.256 1196 L HN 0.582 nan 8.230 nan 0.000 0.413 1197 G N 4.503 113.443 108.800 0.233 0.000 2.372 1197 G HA2 0.636 4.596 3.960 0.000 0.000 0.323 1197 G HA3 0.636 4.596 3.960 0.000 0.000 0.323 1197 G C -1.183 173.813 174.900 0.160 0.000 1.152 1197 G CA -0.103 45.114 45.100 0.196 0.000 0.906 1197 G HN 1.043 nan 8.290 nan 0.000 0.460 1198 V N 0.469 120.458 119.914 0.126 0.000 3.188 1198 V HA 0.679 4.799 4.120 0.000 0.000 0.305 1198 V C -2.603 173.520 176.094 0.049 0.000 1.232 1198 V CA -1.973 60.376 62.300 0.082 0.000 1.043 1198 V CB 1.844 33.698 31.823 0.052 0.000 1.068 1198 V HN 0.436 nan 8.190 nan 0.000 0.439 1199 P HA 0.087 nan 4.420 nan 0.000 0.209 1199 P C 0.786 178.081 177.300 -0.008 0.000 1.203 1199 P CA 1.961 65.073 63.100 0.019 0.000 0.916 1199 P CB -0.023 31.698 31.700 0.034 0.000 0.763 1200 T N -4.234 110.315 114.554 -0.009 0.000 2.893 1200 T HA 0.340 4.690 4.350 0.000 0.000 0.279 1200 T C 1.335 176.011 174.700 -0.041 0.000 0.991 1200 T CA -0.330 61.755 62.100 -0.023 0.000 0.950 1200 T CB 0.704 69.560 68.868 -0.021 0.000 1.223 1200 T HN -0.249 nan 8.240 nan 0.000 0.585 1201 S N 0.235 115.904 115.700 -0.052 0.000 2.395 1201 S HA -0.008 4.462 4.470 0.000 0.000 0.225 1201 S C 2.133 176.677 174.600 -0.094 0.000 1.027 1201 S CA 0.990 59.141 58.200 -0.081 0.000 0.965 1201 S CB -0.613 62.545 63.200 -0.070 0.000 0.812 1201 S HN 0.876 nan 8.310 nan 0.000 0.482 1202 S N 0.915 116.572 115.700 -0.072 0.000 2.595 1202 S HA 0.080 4.550 4.470 0.000 0.000 0.235 1202 S C 1.214 175.763 174.600 -0.085 0.000 0.974 1202 S CA 0.436 58.590 58.200 -0.077 0.000 0.942 1202 S CB -0.158 63.006 63.200 -0.060 0.000 0.766 1202 S HN 0.311 nan 8.310 nan 0.000 0.536 1203 S N 0.491 116.145 115.700 -0.077 0.000 2.523 1203 S HA 0.367 4.837 4.470 0.000 0.000 0.217 1203 S C 0.445 174.998 174.600 -0.079 0.000 0.996 1203 S CA -0.492 57.670 58.200 -0.064 0.000 0.921 1203 S CB -0.060 63.125 63.200 -0.025 0.000 0.829 1203 S HN 0.394 nan 8.310 nan 0.000 0.495 1204 L N 2.269 123.418 121.223 -0.122 0.000 2.483 1204 L HA 0.234 4.574 4.340 0.000 0.000 0.276 1204 L C -0.486 176.304 176.870 -0.133 0.000 1.213 1204 L CA 0.289 55.034 54.840 -0.158 0.000 0.843 1204 L CB 0.303 42.162 42.059 -0.334 0.000 1.107 1204 L HN 0.152 nan 8.230 nan 0.000 0.487 1205 L N 3.283 124.472 121.223 -0.058 0.000 2.410 1205 L HA 0.320 4.660 4.340 0.000 0.000 0.270 1205 L C -0.813 176.021 176.870 -0.060 0.000 0.983 1205 L CA -0.868 53.835 54.840 -0.227 0.000 0.822 1205 L CB 1.399 43.268 42.059 -0.316 0.000 1.285 1205 L HN 0.518 nan 8.230 nan 0.000 0.409 1206 Y N 0.393 120.686 120.300 -0.013 0.000 4.409 1206 Y HA -0.324 4.226 4.550 0.000 0.000 0.228 1206 Y C 1.747 177.498 175.900 -0.248 0.000 1.108 1206 Y CA 0.946 58.907 58.100 -0.233 0.000 1.955 1206 Y CB -1.884 36.294 38.460 -0.470 0.000 1.615 1206 Y HN 0.671 nan 8.280 nan 0.000 0.665 1207 K N 0.756 121.234 120.400 0.129 0.000 2.020 1207 K HA -0.268 4.052 4.320 0.000 0.000 0.212 1207 K C 1.740 178.487 176.600 0.244 0.000 1.050 1207 K CA 2.182 58.643 56.287 0.290 0.000 0.929 1207 K CB -0.151 32.382 32.500 0.056 0.000 0.714 1207 K HN 0.646 nan 8.250 nan 0.000 0.443 1208 E N 0.158 120.428 120.200 0.117 0.000 2.118 1208 E HA -0.197 4.154 4.350 0.000 0.000 0.195 1208 E C 1.984 178.659 176.600 0.126 0.000 0.992 1208 E CA 1.364 57.834 56.400 0.117 0.000 0.804 1208 E CB 0.098 29.841 29.700 0.072 0.000 0.741 1208 E HN 0.373 nan 8.360 nan 0.000 0.458 1209 E N -0.213 120.014 120.200 0.044 0.000 2.058 1209 E HA -0.189 4.161 4.350 0.000 0.000 0.194 1209 E C 1.912 178.530 176.600 0.031 0.000 0.997 1209 E CA 1.038 57.456 56.400 0.031 0.000 0.801 1209 E CB -0.148 29.469 29.700 -0.138 0.000 0.746 1209 E HN 0.246 nan 8.360 nan 0.000 0.450 1210 F N 1.654 121.752 119.950 0.245 0.000 2.146 1210 F HA -0.108 4.419 4.527 0.000 0.000 0.298 1210 F C 2.403 178.371 175.800 0.279 0.000 1.096 1210 F CA 0.812 58.953 58.000 0.235 0.000 1.275 1210 F CB -0.653 38.573 39.000 0.377 0.000 1.008 1210 F HN -0.073 nan 8.300 nan 0.000 0.480 1211 E N 0.626 121.086 120.200 0.434 0.000 2.085 1211 E HA -0.255 4.095 4.350 0.000 0.000 0.194 1211 E C 2.178 178.915 176.600 0.228 0.000 0.994 1211 E CA 1.173 57.757 56.400 0.308 0.000 0.801 1211 E CB -0.507 29.341 29.700 0.247 0.000 0.743 1211 E HN 0.411 nan 8.360 nan 0.000 0.453 1212 K N 0.636 121.163 120.400 0.212 0.000 2.063 1212 K HA -0.139 4.181 4.320 0.000 0.000 0.208 1212 K C 2.243 178.953 176.600 0.184 0.000 1.048 1212 K CA 1.588 57.984 56.287 0.182 0.000 0.928 1212 K CB -0.068 32.562 32.500 0.217 0.000 0.713 1212 K HN 0.058 nan 8.250 nan 0.000 0.442 1213 M N 0.360 120.066 119.600 0.177 0.000 2.229 1213 M HA -0.134 4.347 4.480 0.000 0.000 0.264 1213 M C 2.310 178.621 176.300 0.019 0.000 1.063 1213 M CA 1.441 56.742 55.300 0.002 0.000 1.114 1213 M CB -0.259 32.146 32.600 -0.324 0.000 1.387 1213 M HN 0.094 nan 8.290 nan 0.000 0.420 1214 K N 1.384 121.929 120.400 0.242 0.000 2.002 1214 K HA -0.209 4.111 4.320 0.000 0.000 0.209 1214 K C 1.890 178.517 176.600 0.045 0.000 1.048 1214 K CA 2.068 58.478 56.287 0.206 0.000 0.930 1214 K CB -0.027 32.566 32.500 0.155 0.000 0.714 1214 K HN 0.532 nan 8.250 nan 0.000 0.438 1215 E N 0.376 120.607 120.200 0.052 0.000 2.204 1215 E HA -0.199 4.151 4.350 0.000 0.000 0.194 1215 E C 1.831 178.431 176.600 -0.000 0.000 0.989 1215 E CA 1.120 57.532 56.400 0.019 0.000 0.824 1215 E CB -0.069 29.649 29.700 0.031 0.000 0.756 1215 E HN 0.167 nan 8.360 nan 0.000 0.477 1216 K N 0.666 121.069 120.400 0.004 0.000 2.366 1216 K HA 0.075 4.395 4.320 0.000 0.000 0.198 1216 K C 0.058 176.621 176.600 -0.062 0.000 1.044 1216 K CA 0.874 57.155 56.287 -0.011 0.000 0.973 1216 K CB 0.213 32.735 32.500 0.036 0.000 0.767 1216 K HN 0.194 nan 8.250 nan 0.000 0.475 1217 A N 1.146 123.895 122.820 -0.120 0.000 3.411 1217 A HA 0.232 4.552 4.320 0.000 0.000 0.238 1217 A C -2.216 175.283 177.584 -0.143 0.000 1.140 1217 A CA -0.791 51.146 52.037 -0.166 0.000 0.980 1217 A CB 0.603 19.391 19.000 -0.354 0.000 1.371 1217 A HN 0.083 nan 8.150 nan 0.000 0.700 1218 P HA -0.204 nan 4.420 nan 0.000 0.222 1218 P C 0.710 177.952 177.300 -0.097 0.000 1.142 1218 P CA 1.287 64.334 63.100 -0.088 0.000 0.788 1218 P CB 0.389 32.048 31.700 -0.068 0.000 0.767 1219 E N 0.029 120.184 120.200 -0.076 0.000 2.170 1219 E HA -0.041 4.309 4.350 0.000 0.000 0.191 1219 E C 1.060 177.638 176.600 -0.037 0.000 0.981 1219 E CA 0.854 57.218 56.400 -0.060 0.000 0.830 1219 E CB -0.434 29.241 29.700 -0.042 0.000 0.775 1219 E HN 0.487 nan 8.360 nan 0.000 0.470 1220 N N -0.765 117.932 118.700 -0.004 0.000 2.197 1220 N HA 0.071 4.811 4.740 0.000 0.000 0.201 1220 N C -0.616 175.084 175.510 0.316 0.000 1.148 1220 N CA -0.113 53.028 53.050 0.151 0.000 0.883 1220 N CB 0.619 39.280 38.487 0.291 0.000 1.012 1220 N HN -0.060 nan 8.380 nan 0.000 0.507 1221 F N 1.638 121.519 119.950 -0.116 0.000 2.507 1221 F HA 0.510 5.037 4.527 0.000 0.000 0.328 1221 F C -0.769 174.913 175.800 -0.196 0.000 1.136 1221 F CA -1.173 56.776 58.000 -0.085 0.000 0.930 1221 F CB 0.993 39.819 39.000 -0.291 0.000 1.166 1221 F HN -0.304 nan 8.300 nan 0.000 0.436 1222 R N 5.159 125.108 120.500 -0.920 0.000 2.460 1222 R HA 0.726 5.066 4.340 0.000 0.000 0.303 1222 R C -1.795 173.673 176.300 -1.387 0.000 0.968 1222 R CA -1.143 54.279 56.100 -1.131 0.000 0.889 1222 R CB 2.009 31.412 30.300 -1.495 0.000 1.123 1222 R HN 0.643 nan 8.270 nan 0.000 0.455 1223 L N 2.223 122.806 121.223 -1.067 0.000 2.406 1223 L HA 0.431 4.771 4.340 0.000 0.000 0.272 1223 L C -1.563 174.879 176.870 -0.713 0.000 0.980 1223 L CA -0.123 54.172 54.840 -0.909 0.000 0.831 1223 L CB 1.933 43.560 42.059 -0.720 0.000 1.253 1223 L HN 0.573 nan 8.230 nan 0.000 0.406 1224 D N 5.085 125.033 120.400 -0.754 0.000 2.620 1224 D HA 0.343 4.983 4.640 0.000 0.000 0.252 1224 D C -1.071 174.965 176.300 -0.440 0.000 1.207 1224 D CA -0.057 53.592 54.000 -0.585 0.000 0.884 1224 D CB 1.576 41.918 40.800 -0.763 0.000 1.262 1224 D HN 0.191 nan 8.370 nan 0.000 0.552 1225 F N 1.048 120.996 119.950 -0.004 0.000 2.403 1225 F HA 0.597 5.124 4.527 0.000 0.000 0.326 1225 F C 0.661 176.516 175.800 0.091 0.000 1.081 1225 F CA -1.030 57.005 58.000 0.059 0.000 1.041 1225 F CB 1.519 40.558 39.000 0.064 0.000 1.234 1225 F HN 0.283 nan 8.300 nan 0.000 0.503 1226 A N 1.609 124.620 122.820 0.320 0.000 2.745 1226 A HA 0.595 4.915 4.320 0.000 0.000 0.301 1226 A C -1.601 176.054 177.584 0.120 0.000 1.188 1226 A CA -0.469 51.685 52.037 0.196 0.000 0.746 1226 A CB 0.206 19.326 19.000 0.200 0.000 1.207 1226 A HN 0.444 nan 8.150 nan 0.000 0.432 1227 V N 3.413 123.369 119.914 0.070 0.000 2.284 1227 V HA 0.097 4.217 4.120 0.000 0.000 0.260 1227 V C 1.715 177.774 176.094 -0.058 0.000 1.084 1227 V CA 0.635 62.940 62.300 0.009 0.000 0.894 1227 V CB 0.159 31.981 31.823 -0.001 0.000 1.119 1227 V HN 1.091 nan 8.190 nan 0.000 0.484 1228 S N 4.256 119.881 115.700 -0.126 0.000 2.462 1228 S HA -0.160 4.310 4.470 0.000 0.000 0.243 1228 S C 1.524 175.992 174.600 -0.220 0.000 1.003 1228 S CA 0.963 58.975 58.200 -0.313 0.000 0.970 1228 S CB -0.171 62.680 63.200 -0.582 0.000 0.762 1228 S HN 0.685 nan 8.310 nan 0.000 0.510 1229 R N 0.348 120.785 120.500 -0.104 0.000 2.362 1229 R HA 0.305 4.645 4.340 0.000 0.000 0.227 1229 R C 0.757 177.029 176.300 -0.047 0.000 0.905 1229 R CA 0.474 56.536 56.100 -0.064 0.000 1.067 1229 R CB 0.027 30.310 30.300 -0.028 0.000 1.078 1229 R HN 0.672 nan 8.270 nan 0.000 0.516 1230 E N -0.187 119.983 120.200 -0.049 0.000 2.571 1230 E HA 0.116 4.466 4.350 0.000 0.000 0.222 1230 E C -0.156 176.431 176.600 -0.022 0.000 0.904 1230 E CA 0.024 56.407 56.400 -0.028 0.000 1.157 1230 E CB 0.952 30.640 29.700 -0.020 0.000 1.158 1230 E HN 0.140 nan 8.360 nan 0.000 0.540 1231 Q N 0.861 120.641 119.800 -0.034 0.000 2.345 1231 Q HA 0.617 4.957 4.340 0.000 0.000 0.268 1231 Q C -1.115 174.866 176.000 -0.032 0.000 1.054 1231 Q CA -0.695 55.099 55.803 -0.016 0.000 0.835 1231 Q CB 3.378 32.121 28.738 0.009 0.000 1.339 1231 Q HN -0.120 nan 8.270 nan 0.000 0.447 1232 V N 1.952 121.861 119.914 -0.009 0.000 2.962 1232 V HA 0.393 4.513 4.120 0.000 0.000 0.313 1232 V C -0.650 175.450 176.094 0.011 0.000 1.099 1232 V CA -0.612 61.684 62.300 -0.007 0.000 0.971 1232 V CB 2.304 34.125 31.823 -0.004 0.000 1.028 1232 V HN 0.955 nan 8.190 nan 0.000 0.430 1233 N N 1.508 120.217 118.700 0.015 0.000 2.823 1233 N HA 0.271 5.011 4.740 0.000 0.000 0.324 1233 N C 0.572 176.090 175.510 0.014 0.000 1.336 1233 N CA -0.175 52.888 53.050 0.022 0.000 0.861 1233 N CB 0.044 38.549 38.487 0.030 0.000 1.157 1233 N HN 0.521 nan 8.380 nan 0.000 0.585 1234 D N 0.043 120.449 120.400 0.010 0.000 2.421 1234 D HA -0.224 4.416 4.640 0.000 0.000 0.195 1234 D C 0.823 177.126 176.300 0.005 0.000 1.022 1234 D CA 2.724 56.726 54.000 0.003 0.000 0.871 1234 D CB -0.163 40.636 40.800 -0.002 0.000 1.026 1234 D HN 0.589 nan 8.370 nan 0.000 0.462 1235 K N -0.487 119.917 120.400 0.007 0.000 2.569 1235 K HA 0.300 4.620 4.320 0.000 0.000 0.193 1235 K C 0.977 177.584 176.600 0.011 0.000 1.026 1235 K CA 0.643 56.935 56.287 0.008 0.000 1.093 1235 K CB 0.178 32.684 32.500 0.009 0.000 0.849 1235 K HN 0.325 nan 8.250 nan 0.000 0.509 1236 G N 1.077 109.884 108.800 0.011 0.000 2.147 1236 G HA2 -0.308 3.652 3.960 0.000 0.000 0.244 1236 G HA3 -0.308 3.652 3.960 0.000 0.000 0.244 1236 G C -0.583 174.326 174.900 0.015 0.000 1.005 1236 G CA -0.114 44.993 45.100 0.011 0.000 0.713 1236 G HN 0.432 nan 8.290 nan 0.000 0.515 1237 E N 0.217 120.431 120.200 0.022 0.000 2.349 1237 E HA 0.407 4.757 4.350 0.000 0.000 0.265 1237 E C 0.462 177.074 176.600 0.020 0.000 1.064 1237 E CA -0.643 55.780 56.400 0.038 0.000 0.886 1237 E CB 1.029 30.762 29.700 0.056 0.000 1.036 1237 E HN 0.266 nan 8.360 nan 0.000 0.413 1238 K N 1.494 121.904 120.400 0.015 0.000 2.489 1238 K HA -0.024 4.296 4.320 0.000 0.000 0.278 1238 K C -0.052 176.438 176.600 -0.182 0.000 1.000 1238 K CA 0.094 56.305 56.287 -0.127 0.000 1.012 1238 K CB 0.293 32.662 32.500 -0.218 0.000 0.903 1238 K HN 0.265 nan 8.250 nan 0.000 0.485 1239 M N 5.061 124.522 119.600 -0.231 0.000 2.725 1239 M HA 0.140 4.620 4.480 0.000 0.000 0.322 1239 M C -1.469 174.712 176.300 -0.199 0.000 1.393 1239 M CA 0.131 55.357 55.300 -0.123 0.000 1.452 1239 M CB -0.365 32.215 32.600 -0.034 0.000 1.242 1239 M HN 0.334 nan 8.290 nan 0.000 0.487 1240 Y N 1.791 122.128 120.300 0.061 0.000 2.408 1240 Y HA 0.277 4.828 4.550 0.000 0.000 0.324 1240 Y C 1.445 177.387 175.900 0.070 0.000 1.302 1240 Y CA -0.335 57.800 58.100 0.058 0.000 1.384 1240 Y CB 0.447 38.929 38.460 0.036 0.000 1.367 1240 Y HN 0.566 nan 8.280 nan 0.000 0.525 1241 I N 0.831 121.545 120.570 0.240 0.000 2.286 1241 I HA -0.301 3.869 4.170 0.000 0.000 0.248 1241 I C 2.166 178.321 176.117 0.063 0.000 1.115 1241 I CA 1.460 62.851 61.300 0.152 0.000 1.392 1241 I CB -0.162 37.909 38.000 0.118 0.000 1.065 1241 I HN 0.754 nan 8.210 nan 0.000 0.418 1242 Q N -0.261 119.573 119.800 0.057 0.000 2.172 1242 Q HA -0.134 4.206 4.340 0.000 0.000 0.200 1242 Q C 1.837 177.850 176.000 0.022 0.000 0.964 1242 Q CA 1.897 57.692 55.803 -0.014 0.000 0.855 1242 Q CB -1.197 27.533 28.738 -0.014 0.000 0.918 1242 Q HN 0.376 nan 8.270 nan 0.000 0.444 1243 T N 1.720 116.332 114.554 0.097 0.000 2.708 1243 T HA -0.171 4.179 4.350 0.000 0.000 0.266 1243 T C 1.835 176.604 174.700 0.115 0.000 1.037 1243 T CA 1.914 64.076 62.100 0.102 0.000 1.146 1243 T CB -0.189 68.757 68.868 0.130 0.000 0.865 1243 T HN 0.316 nan 8.240 nan 0.000 0.435 1244 R N 1.235 121.834 120.500 0.165 0.000 2.066 1244 R HA 0.119 4.459 4.340 0.000 0.000 0.232 1244 R C 2.359 178.876 176.300 0.362 0.000 1.131 1244 R CA 1.560 57.832 56.100 0.287 0.000 0.955 1244 R CB -0.727 29.793 30.300 0.366 0.000 0.851 1244 R HN 0.379 nan 8.270 nan 0.000 0.432 1245 M N 0.012 119.671 119.600 0.097 0.000 2.106 1245 M HA -0.178 4.302 4.480 0.000 0.000 0.259 1245 M C 2.263 178.596 176.300 0.055 0.000 1.068 1245 M CA 1.987 57.185 55.300 -0.170 0.000 1.100 1245 M CB -0.480 31.849 32.600 -0.451 0.000 1.351 1245 M HN 0.378 nan 8.290 nan 0.000 0.404 1246 A N 0.353 123.193 122.820 0.034 0.000 1.903 1246 A HA -0.279 4.041 4.320 0.000 0.000 0.219 1246 A C 1.898 179.502 177.584 0.034 0.000 1.191 1246 A CA 2.040 54.086 52.037 0.016 0.000 0.638 1246 A CB -1.010 17.993 19.000 0.005 0.000 0.823 1246 A HN 0.633 nan 8.150 nan 0.000 0.451 1247 Q N -2.181 117.645 119.800 0.043 0.000 2.449 1247 Q HA -0.204 4.136 4.340 0.000 0.000 0.214 1247 Q C 0.373 176.167 176.000 -0.343 0.000 0.986 1247 Q CA 1.520 57.236 55.803 -0.145 0.000 0.893 1247 Q CB -0.266 28.359 28.738 -0.189 0.000 0.940 1247 Q HN 0.932 nan 8.270 nan 0.000 0.477 1248 Y N -2.198 118.170 120.300 0.114 0.000 2.641 1248 Y HA 0.387 4.937 4.550 0.000 0.000 0.248 1248 Y C 1.571 177.516 175.900 0.074 0.000 1.170 1248 Y CA -0.151 58.042 58.100 0.156 0.000 1.201 1248 Y CB -0.108 38.507 38.460 0.258 0.000 1.232 1248 Y HN 0.022 nan 8.280 nan 0.000 0.537 1249 A N 1.292 124.184 122.820 0.119 0.000 1.883 1249 A HA -0.407 3.913 4.320 0.000 0.000 0.222 1249 A C 2.054 179.717 177.584 0.132 0.000 1.339 1249 A CA 2.903 54.978 52.037 0.064 0.000 0.692 1249 A CB -0.732 18.263 19.000 -0.008 0.000 0.845 1249 A HN 0.532 nan 8.150 nan 0.000 0.467 1250 E N -0.163 120.107 120.200 0.117 0.000 2.130 1250 E HA -0.211 4.139 4.350 0.000 0.000 0.196 1250 E C 1.808 178.549 176.600 0.235 0.000 0.998 1250 E CA 1.676 58.172 56.400 0.160 0.000 0.806 1250 E CB -0.437 29.324 29.700 0.102 0.000 0.738 1250 E HN 0.858 nan 8.360 nan 0.000 0.459 1251 E N 0.440 120.783 120.200 0.238 0.000 2.033 1251 E HA -0.050 4.300 4.350 0.000 0.000 0.189 1251 E C 2.038 178.784 176.600 0.244 0.000 0.979 1251 E CA 0.511 57.074 56.400 0.272 0.000 0.802 1251 E CB -0.062 29.873 29.700 0.392 0.000 0.763 1251 E HN 0.249 nan 8.360 nan 0.000 0.449 1252 L N 0.675 122.013 121.223 0.193 0.000 2.042 1252 L HA -0.216 4.124 4.340 0.000 0.000 0.210 1252 L C 2.557 179.522 176.870 0.158 0.000 1.076 1252 L CA 1.401 56.291 54.840 0.083 0.000 0.749 1252 L CB -0.660 41.371 42.059 -0.046 0.000 0.893 1252 L HN 0.492 nan 8.230 nan 0.000 0.432 1253 W N 1.320 122.638 121.300 0.030 0.000 2.355 1253 W HA -0.249 4.411 4.660 0.000 0.000 0.309 1253 W C 2.289 178.855 176.519 0.078 0.000 1.206 1253 W CA 1.800 59.171 57.345 0.043 0.000 1.284 1253 W CB 0.057 29.523 29.460 0.009 0.000 1.145 1253 W HN 0.177 nan 8.180 nan 0.000 0.502 1254 E N 0.683 120.955 120.200 0.119 0.000 2.077 1254 E HA -0.186 4.164 4.350 0.000 0.000 0.193 1254 E C 2.308 178.887 176.600 -0.035 0.000 0.989 1254 E CA 1.599 58.009 56.400 0.016 0.000 0.800 1254 E CB -0.939 28.835 29.700 0.122 0.000 0.746 1254 E HN 0.304 nan 8.360 nan 0.000 0.452 1255 L N -0.204 121.043 121.223 0.040 0.000 2.131 1255 L HA -0.154 4.186 4.340 0.000 0.000 0.210 1255 L C 2.267 179.126 176.870 -0.018 0.000 1.092 1255 L CA 0.738 55.608 54.840 0.051 0.000 0.759 1255 L CB -0.251 41.884 42.059 0.126 0.000 0.903 1255 L HN 0.192 nan 8.230 nan 0.000 0.435 1256 L N -0.499 120.675 121.223 -0.081 0.000 2.376 1256 L HA -0.134 4.206 4.340 0.000 0.000 0.219 1256 L C 2.073 178.835 176.870 -0.180 0.000 1.133 1256 L CA 0.835 55.608 54.840 -0.111 0.000 0.816 1256 L CB -0.185 41.825 42.059 -0.082 0.000 0.933 1256 L HN 0.211 nan 8.230 nan 0.000 0.449 1257 K N -0.007 120.229 120.400 -0.274 0.000 2.444 1257 K HA 0.016 4.336 4.320 0.000 0.000 0.193 1257 K C 0.519 177.060 176.600 -0.098 0.000 1.024 1257 K CA 0.117 56.275 56.287 -0.215 0.000 1.077 1257 K CB 0.274 32.592 32.500 -0.303 0.000 0.833 1257 K HN 0.178 nan 8.250 nan 0.000 0.517 1258 K N 1.714 122.067 120.400 -0.079 0.000 2.106 1258 K HA 0.006 4.326 4.320 0.000 0.000 0.246 1258 K C 0.665 177.220 176.600 -0.075 0.000 0.987 1258 K CA -0.266 55.992 56.287 -0.049 0.000 0.904 1258 K CB 1.069 33.558 32.500 -0.018 0.000 1.071 1258 K HN -0.063 nan 8.250 nan 0.000 0.453 1259 D N 0.569 120.930 120.400 -0.065 0.000 2.333 1259 D HA -0.115 4.525 4.640 0.000 0.000 0.208 1259 D C 0.297 176.497 176.300 -0.167 0.000 0.984 1259 D CA 0.484 54.422 54.000 -0.103 0.000 0.873 1259 D CB -0.043 40.725 40.800 -0.054 0.000 0.935 1259 D HN 0.546 nan 8.370 nan 0.000 0.521 1260 N N 0.476 119.122 118.700 -0.091 0.000 2.320 1260 N HA 0.026 4.766 4.740 0.000 0.000 0.237 1260 N C -0.737 174.755 175.510 -0.030 0.000 1.129 1260 N CA -0.303 52.730 53.050 -0.028 0.000 0.854 1260 N CB 0.051 38.616 38.487 0.129 0.000 1.083 1260 N HN -0.173 nan 8.380 nan 0.000 0.504 1261 T N 1.096 115.516 114.554 -0.224 0.000 2.771 1261 T HA 0.469 4.819 4.350 0.000 0.000 0.281 1261 T C -0.961 173.568 174.700 -0.284 0.000 0.982 1261 T CA -0.249 61.809 62.100 -0.069 0.000 0.978 1261 T CB 0.456 69.318 68.868 -0.010 0.000 0.930 1261 T HN 0.046 nan 8.240 nan 0.000 0.447 1262 F N 1.929 121.947 119.950 0.113 0.000 2.493 1262 F HA 0.574 5.101 4.527 0.000 0.000 0.329 1262 F C -0.080 175.713 175.800 -0.013 0.000 1.126 1262 F CA -1.059 56.963 58.000 0.037 0.000 0.937 1262 F CB 1.533 40.607 39.000 0.123 0.000 1.146 1262 F HN 0.183 nan 8.300 nan 0.000 0.442 1263 V N 3.693 123.573 119.914 -0.055 0.000 2.483 1263 V HA 0.425 4.545 4.120 0.000 0.000 0.295 1263 V C -1.053 174.730 176.094 -0.518 0.000 1.035 1263 V CA -1.017 61.148 62.300 -0.226 0.000 0.896 1263 V CB 1.457 33.062 31.823 -0.364 0.000 0.986 1263 V HN 0.558 nan 8.190 nan 0.000 0.447 1264 Y N 3.869 124.052 120.300 -0.196 0.000 2.391 1264 Y HA 0.702 5.252 4.550 0.000 0.000 0.341 1264 Y C -0.015 175.848 175.900 -0.063 0.000 0.965 1264 Y CA -0.643 57.414 58.100 -0.072 0.000 1.067 1264 Y CB 2.128 40.665 38.460 0.128 0.000 1.199 1264 Y HN 0.541 nan 8.280 nan 0.000 0.450 1265 M N 4.485 124.153 119.600 0.114 0.000 2.263 1265 M HA 0.666 5.146 4.480 0.000 0.000 0.295 1265 M C -2.012 174.357 176.300 0.115 0.000 1.028 1265 M CA -0.266 55.093 55.300 0.098 0.000 0.921 1265 M CB 1.331 33.862 32.600 -0.116 0.000 1.601 1265 M HN 0.884 nan 8.290 nan 0.000 0.440 1266 C N 3.832 123.189 119.300 0.095 0.000 2.888 1266 C HA 1.023 5.483 4.460 0.000 0.000 0.308 1266 C C 0.134 175.037 174.990 -0.147 0.000 1.213 1266 C CA 1.026 59.986 59.018 -0.096 0.000 1.461 1266 C CB 1.305 28.863 27.740 -0.303 0.000 1.934 1266 C HN 1.185 nan 8.230 nan 0.000 0.474 1267 G N 3.313 111.900 108.800 -0.354 0.000 2.270 1267 G HA2 0.229 4.189 3.960 0.000 0.000 0.268 1267 G HA3 0.229 4.189 3.960 0.000 0.000 0.268 1267 G C -1.789 172.657 174.900 -0.757 0.000 1.312 1267 G CA -0.715 44.121 45.100 -0.441 0.000 1.050 1267 G HN 0.856 nan 8.290 nan 0.000 0.474 1268 L N 1.668 122.662 121.223 -0.382 0.000 2.540 1268 L HA 0.229 4.569 4.340 0.000 0.000 0.276 1268 L C 2.256 178.991 176.870 -0.225 0.000 1.212 1268 L CA 0.570 55.246 54.840 -0.273 0.000 0.893 1268 L CB 0.596 42.604 42.059 -0.086 0.000 1.138 1268 L HN 0.788 nan 8.230 nan 0.000 0.491 1269 K N 3.114 123.399 120.400 -0.192 0.000 2.089 1269 K HA -0.207 4.113 4.320 0.000 0.000 0.210 1269 K C 1.554 178.119 176.600 -0.059 0.000 1.048 1269 K CA 1.807 58.031 56.287 -0.104 0.000 0.926 1269 K CB -0.219 32.253 32.500 -0.046 0.000 0.714 1269 K HN 0.917 nan 8.250 nan 0.000 0.448 1270 G N 1.635 110.405 108.800 -0.050 0.000 2.653 1270 G HA2 -0.197 3.764 3.960 0.000 0.000 0.212 1270 G HA3 -0.197 3.764 3.960 0.000 0.000 0.212 1270 G C 1.394 176.272 174.900 -0.036 0.000 1.138 1270 G CA 0.780 45.858 45.100 -0.037 0.000 0.782 1270 G HN 0.543 nan 8.290 nan 0.000 0.535 1271 M N -1.423 118.157 119.600 -0.033 0.000 2.388 1271 M HA 0.329 4.809 4.480 0.000 0.000 0.265 1271 M C 1.984 178.291 176.300 0.011 0.000 1.088 1271 M CA 1.312 56.603 55.300 -0.015 0.000 1.134 1271 M CB -0.111 32.483 32.600 -0.012 0.000 1.384 1271 M HN 0.126 nan 8.290 nan 0.000 0.447 1272 E N 1.417 121.633 120.200 0.027 0.000 2.110 1272 E HA -0.222 4.128 4.350 0.000 0.000 0.193 1272 E C 1.921 178.578 176.600 0.095 0.000 0.988 1272 E CA 1.263 57.714 56.400 0.084 0.000 0.804 1272 E CB 0.165 29.927 29.700 0.103 0.000 0.745 1272 E HN 0.357 nan 8.360 nan 0.000 0.458 1273 K N 0.168 120.598 120.400 0.051 0.000 1.985 1273 K HA -0.080 4.240 4.320 0.000 0.000 0.210 1273 K C 1.946 178.561 176.600 0.025 0.000 1.047 1273 K CA 1.721 58.034 56.287 0.043 0.000 0.932 1273 K CB -1.091 31.417 32.500 0.013 0.000 0.716 1273 K HN 0.208 nan 8.250 nan 0.000 0.439 1274 G N 1.097 109.891 108.800 -0.010 0.000 2.505 1274 G HA2 -0.273 3.687 3.960 0.000 0.000 0.220 1274 G HA3 -0.273 3.687 3.960 0.000 0.000 0.220 1274 G C 1.660 176.550 174.900 -0.016 0.000 1.145 1274 G CA 1.433 46.513 45.100 -0.033 0.000 0.761 1274 G HN 0.373 nan 8.290 nan 0.000 0.571 1275 I N 0.401 120.977 120.570 0.011 0.000 2.252 1275 I HA -0.098 4.072 4.170 0.000 0.000 0.245 1275 I C 2.386 178.497 176.117 -0.010 0.000 1.102 1275 I CA 0.969 62.274 61.300 0.008 0.000 1.385 1275 I CB -0.294 37.750 38.000 0.072 0.000 1.064 1275 I HN 0.040 nan 8.210 nan 0.000 0.414 1276 D N 1.335 121.776 120.400 0.069 0.000 2.127 1276 D HA -0.215 4.425 4.640 0.000 0.000 0.190 1276 D C 1.698 177.966 176.300 -0.054 0.000 1.000 1276 D CA 1.590 55.644 54.000 0.091 0.000 0.839 1276 D CB -0.403 40.516 40.800 0.197 0.000 0.955 1276 D HN 0.259 nan 8.370 nan 0.000 0.446 1277 D N 0.490 120.876 120.400 -0.024 0.000 2.160 1277 D HA -0.186 4.454 4.640 0.000 0.000 0.189 1277 D C 2.202 178.430 176.300 -0.121 0.000 1.003 1277 D CA 0.521 54.491 54.000 -0.050 0.000 0.846 1277 D CB -0.463 40.315 40.800 -0.037 0.000 0.949 1277 D HN 0.178 nan 8.370 nan 0.000 0.446 1278 I N 0.831 121.319 120.570 -0.137 0.000 2.087 1278 I HA -0.267 3.903 4.170 0.000 0.000 0.240 1278 I C 2.322 178.263 176.117 -0.294 0.000 1.054 1278 I CA 1.225 62.421 61.300 -0.173 0.000 1.311 1278 I CB -0.688 37.225 38.000 -0.146 0.000 1.024 1278 I HN 0.088 nan 8.210 nan 0.000 0.402 1279 M N -0.299 119.014 119.600 -0.478 0.000 2.202 1279 M HA -0.150 4.331 4.480 0.000 0.000 0.262 1279 M C 2.337 178.180 176.300 -0.762 0.000 1.063 1279 M CA 1.201 55.937 55.300 -0.939 0.000 1.097 1279 M CB -1.483 29.974 32.600 -1.904 0.000 1.382 1279 M HN 0.065 nan 8.290 nan 0.000 0.413 1280 V N -0.312 119.356 119.914 -0.410 0.000 2.221 1280 V HA -0.232 3.888 4.120 0.000 0.000 0.242 1280 V C 2.416 178.427 176.094 -0.138 0.000 1.041 1280 V CA 1.986 64.242 62.300 -0.073 0.000 0.995 1280 V CB -1.077 30.756 31.823 0.018 0.000 0.635 1280 V HN 0.397 nan 8.190 nan 0.000 0.448 1281 S N 0.384 115.993 115.700 -0.151 0.000 2.369 1281 S HA -0.232 4.238 4.470 0.000 0.000 0.225 1281 S C 1.969 176.420 174.600 -0.248 0.000 1.043 1281 S CA 1.970 60.074 58.200 -0.160 0.000 1.074 1281 S CB -0.640 62.481 63.200 -0.131 0.000 0.962 1281 S HN 0.462 nan 8.310 nan 0.000 0.433 1282 L N 1.196 122.238 121.223 -0.301 0.000 2.187 1282 L HA -0.127 4.213 4.340 0.000 0.000 0.213 1282 L C 2.229 178.624 176.870 -0.792 0.000 1.100 1282 L CA 1.972 56.558 54.840 -0.424 0.000 0.765 1282 L CB -1.236 40.635 42.059 -0.313 0.000 0.904 1282 L HN 0.357 nan 8.230 nan 0.000 0.437 1283 A N -0.527 121.882 122.820 -0.685 0.000 1.935 1283 A HA 0.085 4.405 4.320 0.000 0.000 0.214 1283 A C 2.440 179.699 177.584 -0.543 0.000 1.178 1283 A CA 1.080 52.583 52.037 -0.890 0.000 0.640 1283 A CB -0.519 18.444 19.000 -0.063 0.000 0.825 1283 A HN 0.500 nan 8.150 nan 0.000 0.447 1284 A N 0.385 123.021 122.820 -0.307 0.000 1.969 1284 A HA -0.128 4.192 4.320 0.000 0.000 0.218 1284 A C 1.978 179.434 177.584 -0.213 0.000 1.169 1284 A CA 1.685 53.607 52.037 -0.191 0.000 0.635 1284 A CB -0.429 18.498 19.000 -0.123 0.000 0.810 1284 A HN 0.524 nan 8.150 nan 0.000 0.445 1285 K N -0.693 119.535 120.400 -0.287 0.000 2.281 1285 K HA -0.173 4.147 4.320 0.000 0.000 0.203 1285 K C 0.886 177.351 176.600 -0.225 0.000 1.046 1285 K CA 1.439 57.580 56.287 -0.243 0.000 0.938 1285 K CB -0.086 32.246 32.500 -0.280 0.000 0.737 1285 K HN 0.471 nan 8.250 nan 0.000 0.458 1286 D N -0.776 119.445 120.400 -0.298 0.000 2.402 1286 D HA 0.088 4.728 4.640 0.000 0.000 0.216 1286 D C 0.146 176.405 176.300 -0.068 0.000 1.128 1286 D CA 0.255 54.169 54.000 -0.143 0.000 0.833 1286 D CB 0.409 41.166 40.800 -0.073 0.000 0.971 1286 D HN 0.219 nan 8.370 nan 0.000 0.503 1287 G N 1.157 109.897 108.800 -0.100 0.000 2.295 1287 G HA2 -0.245 3.715 3.960 0.000 0.000 0.287 1287 G HA3 -0.245 3.715 3.960 0.000 0.000 0.287 1287 G C 0.059 174.935 174.900 -0.040 0.000 1.055 1287 G CA 0.547 45.612 45.100 -0.059 0.000 0.922 1287 G HN 0.408 nan 8.290 nan 0.000 0.503 1288 I N -0.775 119.762 120.570 -0.055 0.000 2.828 1288 I HA 0.371 4.541 4.170 0.000 0.000 0.302 1288 I C -0.638 175.496 176.117 0.028 0.000 1.101 1288 I CA -1.125 60.168 61.300 -0.011 0.000 1.031 1288 I CB 2.184 40.192 38.000 0.012 0.000 1.231 1288 I HN 0.128 nan 8.210 nan 0.000 0.427 1289 D N 3.867 124.302 120.400 0.059 0.000 2.359 1289 D HA 0.060 4.700 4.640 0.000 0.000 0.230 1289 D C 0.751 177.151 176.300 0.166 0.000 1.118 1289 D CA -0.329 53.722 54.000 0.085 0.000 0.844 1289 D CB 1.037 41.857 40.800 0.034 0.000 1.059 1289 D HN 0.559 nan 8.370 nan 0.000 0.493 1290 W N 4.960 126.277 121.300 0.029 0.000 2.315 1290 W HA -0.314 4.346 4.660 0.000 0.000 0.323 1290 W C 1.285 177.814 176.519 0.016 0.000 1.233 1290 W CA 1.002 58.381 57.345 0.056 0.000 1.267 1290 W CB -0.189 29.267 29.460 -0.007 0.000 1.160 1290 W HN 0.499 nan 8.180 nan 0.000 0.474 1291 I N 0.742 121.172 120.570 -0.234 0.000 2.103 1291 I HA -0.390 3.780 4.170 0.000 0.000 0.241 1291 I C 2.168 178.071 176.117 -0.356 0.000 1.036 1291 I CA 2.232 63.338 61.300 -0.323 0.000 1.300 1291 I CB -0.891 37.035 38.000 -0.122 0.000 1.010 1291 I HN -0.014 nan 8.210 nan 0.000 0.406 1292 E N -0.773 119.304 120.200 -0.205 0.000 2.385 1292 E HA -0.125 4.225 4.350 0.000 0.000 0.194 1292 E C 1.731 178.227 176.600 -0.173 0.000 1.013 1292 E CA 0.264 56.561 56.400 -0.172 0.000 0.866 1292 E CB -0.120 29.530 29.700 -0.082 0.000 0.832 1292 E HN 0.458 nan 8.360 nan 0.000 0.500 1293 Y N 1.306 121.399 120.300 -0.345 0.000 2.163 1293 Y HA -0.113 4.437 4.550 0.000 0.000 0.288 1293 Y C 1.983 177.548 175.900 -0.559 0.000 1.136 1293 Y CA 1.795 59.701 58.100 -0.322 0.000 1.147 1293 Y CB -0.156 38.224 38.460 -0.134 0.000 0.987 1293 Y HN -0.072 nan 8.280 nan 0.000 0.509 1294 K N 0.187 119.924 120.400 -1.103 0.000 2.209 1294 K HA -0.208 4.112 4.320 0.000 0.000 0.204 1294 K C 2.444 178.621 176.600 -0.705 0.000 1.048 1294 K CA 1.188 56.694 56.287 -1.301 0.000 0.940 1294 K CB -0.204 31.258 32.500 -1.730 0.000 0.729 1294 K HN 0.172 nan 8.250 nan 0.000 0.451 1295 R N 0.254 120.459 120.500 -0.491 0.000 2.115 1295 R HA -0.085 4.255 4.340 0.000 0.000 0.230 1295 R C 1.482 177.640 176.300 -0.236 0.000 1.111 1295 R CA 1.929 57.855 56.100 -0.290 0.000 0.976 1295 R CB -0.265 29.910 30.300 -0.209 0.000 0.870 1295 R HN 0.316 nan 8.270 nan 0.000 0.445 1296 T N 1.164 115.556 114.554 -0.270 0.000 2.770 1296 T HA -0.039 4.311 4.350 0.000 0.000 0.263 1296 T C 2.063 176.622 174.700 -0.236 0.000 1.039 1296 T CA 0.767 62.743 62.100 -0.206 0.000 1.142 1296 T CB -0.236 68.532 68.868 -0.167 0.000 0.868 1296 T HN 0.128 nan 8.240 nan 0.000 0.435 1297 L N 0.536 121.532 121.223 -0.379 0.000 1.989 1297 L HA -0.146 4.194 4.340 0.000 0.000 0.211 1297 L C 2.965 179.757 176.870 -0.131 0.000 1.071 1297 L CA 1.353 56.012 54.840 -0.303 0.000 0.749 1297 L CB -0.499 41.314 42.059 -0.409 0.000 0.890 1297 L HN 0.142 nan 8.230 nan 0.000 0.431 1298 K N 0.417 120.743 120.400 -0.123 0.000 2.034 1298 K HA -0.279 4.041 4.320 0.000 0.000 0.214 1298 K C 2.071 178.657 176.600 -0.023 0.000 1.051 1298 K CA 1.692 57.967 56.287 -0.020 0.000 0.931 1298 K CB -0.328 32.139 32.500 -0.055 0.000 0.715 1298 K HN 0.197 nan 8.250 nan 0.000 0.446 1299 K N 0.161 120.525 120.400 -0.059 0.000 2.442 1299 K HA -0.045 4.275 4.320 0.000 0.000 0.198 1299 K C 1.186 177.770 176.600 -0.028 0.000 1.042 1299 K CA 0.831 57.095 56.287 -0.039 0.000 0.958 1299 K CB 0.094 32.564 32.500 -0.050 0.000 0.766 1299 K HN 0.122 nan 8.250 nan 0.000 0.474 1300 A N 0.510 123.306 122.820 -0.040 0.000 2.423 1300 A HA 0.124 4.444 4.320 0.000 0.000 0.246 1300 A C -0.365 177.227 177.584 0.014 0.000 1.278 1300 A CA -0.071 51.948 52.037 -0.030 0.000 0.903 1300 A CB -0.037 18.917 19.000 -0.077 0.000 0.997 1300 A HN 0.474 nan 8.150 nan 0.000 0.510 1301 E N -1.003 119.226 120.200 0.048 0.000 2.791 1301 E HA -0.274 4.076 4.350 0.000 0.000 0.271 1301 E C 0.466 177.173 176.600 0.179 0.000 1.044 1301 E CA 1.045 57.520 56.400 0.124 0.000 0.814 1301 E CB -1.511 28.304 29.700 0.192 0.000 1.400 1301 E HN 0.867 nan 8.360 nan 0.000 0.423 1302 Q N -0.939 118.890 119.800 0.047 0.000 2.280 1302 Q HA 0.090 4.430 4.340 0.000 0.000 0.228 1302 Q C 0.229 176.270 176.000 0.070 0.000 0.857 1302 Q CA 0.036 55.826 55.803 -0.022 0.000 0.939 1302 Q CB 0.900 29.508 28.738 -0.217 0.000 1.114 1302 Q HN 0.349 nan 8.270 nan 0.000 0.514 1303 W N 2.310 123.533 121.300 -0.128 0.000 2.521 1303 W HA 0.387 5.047 4.660 0.000 0.000 0.310 1303 W C -1.731 174.732 176.519 -0.093 0.000 1.000 1303 W CA -0.448 56.834 57.345 -0.104 0.000 1.353 1303 W CB 0.868 30.281 29.460 -0.079 0.000 1.276 1303 W HN -0.056 nan 8.180 nan 0.000 0.417 1304 N N 4.725 123.274 118.700 -0.252 0.000 2.372 1304 N HA 0.477 5.217 4.740 0.000 0.000 0.285 1304 N C -1.108 174.323 175.510 -0.131 0.000 1.008 1304 N CA -0.396 52.569 53.050 -0.143 0.000 0.880 1304 N CB 2.912 41.279 38.487 -0.199 0.000 1.239 1304 N HN 0.019 nan 8.380 nan 0.000 0.484 1305 V N 1.047 120.960 119.914 -0.001 0.000 2.735 1305 V HA 0.435 4.555 4.120 0.000 0.000 0.310 1305 V C -0.044 176.082 176.094 0.055 0.000 1.061 1305 V CA -0.664 61.646 62.300 0.018 0.000 0.913 1305 V CB 2.354 34.216 31.823 0.066 0.000 1.005 1305 V HN 0.738 nan 8.190 nan 0.000 0.428 1306 E N 2.368 122.594 120.200 0.044 0.000 3.079 1306 E HA 0.387 4.737 4.350 0.000 0.000 0.329 1306 E C -1.037 175.574 176.600 0.017 0.000 1.166 1306 E CA -0.208 56.228 56.400 0.060 0.000 0.876 1306 E CB 1.429 31.177 29.700 0.080 0.000 1.479 1306 E HN 0.689 nan 8.360 nan 0.000 0.384 1307 V N -0.067 119.817 119.914 -0.050 0.000 2.973 1307 V HA 0.809 4.929 4.120 0.000 0.000 0.314 1307 V C -0.511 175.479 176.094 -0.173 0.000 1.066 1307 V CA -0.302 61.843 62.300 -0.257 0.000 1.021 1307 V CB 0.674 32.386 31.823 -0.184 0.000 1.076 1307 V HN 0.404 nan 8.190 nan 0.000 0.462 1308 Y N 0.000 120.293 120.300 -0.012 0.000 2.660 1308 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 1308 Y CA 0.000 58.087 58.100 -0.022 0.000 1.940 1308 Y CB 0.000 38.432 38.460 -0.047 0.000 1.050 1308 Y HN 0.000 nan 8.280 nan 0.000 0.758