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 1rc6_1_A DATA FIRST_RESID 1009 DATA SEQUENCE GYREDLLANR AIVKHGNFAL LTPDGLVKNI IPGFENCDAT ILSTPKLGAS DATA SEQUENCE FVDYLVTLHQ NGGNQQGFGG EGIETFLYVI SGNITAKAEG KTFALSEGGY DATA SEQUENCE LYCPPGSLMT FVNAQAEDSQ IFLYKRRYVP VEGYAPWLVS GNASELERIX DATA SEQUENCE XXXXXXVILL DFLPKELGFD MNMHILSFAP GASHGYIETH VQEHGAYILS DATA SEQUENCE GQGVYNLDNN WIPVKKGDYI FMGAYSLQAG YGVXXXXAFS YIYSKDCNRD DATA SEQUENCE VEI 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 1009 G HA2 0.000 nan 3.960 nan 0.000 0.244 1009 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1009 G C 0.000 174.829 174.900 -0.118 0.000 0.946 1009 G CA 0.000 45.005 45.100 -0.158 0.000 0.502 1010 Y N 1.210 121.514 120.300 0.006 0.000 2.465 1010 Y HA 0.287 4.837 4.550 -0.000 0.000 0.331 1010 Y C 2.143 178.047 175.900 0.006 0.000 1.102 1010 Y CA -0.249 57.855 58.100 0.007 0.000 1.358 1010 Y CB 1.265 39.730 38.460 0.009 0.000 1.213 1010 Y HN 0.693 nan 8.280 nan 0.000 0.525 1011 R N 2.063 122.669 120.500 0.175 0.000 2.185 1011 R HA -0.270 4.069 4.340 -0.000 0.000 0.247 1011 R C 1.844 178.192 176.300 0.079 0.000 1.159 1011 R CA 2.113 58.269 56.100 0.093 0.000 0.988 1011 R CB 0.024 30.366 30.300 0.071 0.000 0.871 1011 R HN 0.931 nan 8.270 nan 0.000 0.458 1012 E N 0.038 120.295 120.200 0.095 0.000 2.046 1012 E HA -0.174 4.176 4.350 -0.000 0.000 0.190 1012 E C 1.072 177.710 176.600 0.063 0.000 0.982 1012 E CA 1.395 57.829 56.400 0.056 0.000 0.800 1012 E CB 0.031 29.741 29.700 0.017 0.000 0.756 1012 E HN 0.382 nan 8.360 nan 0.000 0.449 1013 D N 0.484 120.944 120.400 0.099 0.000 2.218 1013 D HA -0.145 4.495 4.640 -0.000 0.000 0.204 1013 D C 1.982 178.318 176.300 0.060 0.000 0.976 1013 D CA 0.577 54.628 54.000 0.084 0.000 0.853 1013 D CB 0.013 40.881 40.800 0.114 0.000 0.939 1013 D HN 0.206 nan 8.370 nan 0.000 0.481 1014 L N 0.400 121.658 121.223 0.058 0.000 2.027 1014 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 1014 L C 2.325 179.215 176.870 0.034 0.000 1.074 1014 L CA 1.133 55.997 54.840 0.040 0.000 0.745 1014 L CB -0.709 41.371 42.059 0.035 0.000 0.898 1014 L HN 0.037 nan 8.230 nan 0.000 0.433 1015 L N -0.571 120.672 121.223 0.033 0.000 2.650 1015 L HA 0.131 4.471 4.340 -0.000 0.000 0.235 1015 L C 0.978 177.865 176.870 0.028 0.000 1.149 1015 L CA -0.431 54.425 54.840 0.026 0.000 0.887 1015 L CB -0.734 41.336 42.059 0.018 0.000 1.021 1015 L HN 0.127 nan 8.230 nan 0.000 0.441 1016 A N 0.717 123.557 122.820 0.033 0.000 2.440 1016 A HA 0.285 4.605 4.320 -0.000 0.000 0.251 1016 A C 0.360 177.964 177.584 0.032 0.000 1.089 1016 A CA -0.208 51.849 52.037 0.033 0.000 0.779 1016 A CB 0.017 19.038 19.000 0.035 0.000 1.022 1016 A HN 0.550 nan 8.150 nan 0.000 0.492 1017 N N 1.232 119.950 118.700 0.031 0.000 2.623 1017 N HA -0.122 4.618 4.740 -0.000 0.000 0.271 1017 N C 0.141 175.672 175.510 0.034 0.000 1.206 1017 N CA 0.930 53.998 53.050 0.031 0.000 0.666 1017 N CB -0.633 37.872 38.487 0.029 0.000 0.887 1017 N HN 0.850 nan 8.380 nan 0.000 0.554 1018 R N -0.274 120.247 120.500 0.037 0.000 2.487 1018 R HA 0.249 4.589 4.340 -0.000 0.000 0.272 1018 R C 0.647 176.976 176.300 0.048 0.000 0.928 1018 R CA 0.236 56.362 56.100 0.044 0.000 1.077 1018 R CB 0.632 30.957 30.300 0.041 0.000 1.265 1018 R HN 0.390 nan 8.270 nan 0.000 0.537 1019 A N 2.355 125.198 122.820 0.039 0.000 2.517 1019 A HA 0.051 4.371 4.320 -0.000 0.000 0.284 1019 A C -0.052 177.537 177.584 0.008 0.000 1.195 1019 A CA 0.368 52.424 52.037 0.031 0.000 0.873 1019 A CB -0.637 18.379 19.000 0.027 0.000 1.055 1019 A HN 0.235 nan 8.150 nan 0.000 0.538 1020 I N 3.049 123.617 120.570 -0.003 0.000 2.693 1020 I HA 0.720 4.890 4.170 -0.000 0.000 0.303 1020 I C -0.570 175.410 176.117 -0.229 0.000 1.025 1020 I CA -0.852 60.408 61.300 -0.068 0.000 1.086 1020 I CB 2.254 40.257 38.000 0.005 0.000 1.268 1020 I HN 0.286 nan 8.210 nan 0.000 0.440 1021 V N 6.449 126.178 119.914 -0.308 0.000 2.925 1021 V HA 0.608 4.728 4.120 -0.000 0.000 0.311 1021 V C -0.415 175.386 176.094 -0.487 0.000 1.104 1021 V CA -0.738 61.284 62.300 -0.463 0.000 0.954 1021 V CB 2.186 33.764 31.823 -0.409 0.000 1.022 1021 V HN 0.651 nan 8.190 nan 0.000 0.427 1022 K N 2.220 122.285 120.400 -0.559 0.000 3.257 1022 K HA 0.258 4.578 4.320 -0.000 0.000 0.196 1022 K C -0.221 176.323 176.600 -0.093 0.000 1.089 1022 K CA -0.566 55.551 56.287 -0.282 0.000 0.959 1022 K CB 0.101 32.435 32.500 -0.277 0.000 0.719 1022 K HN 0.876 nan 8.250 nan 0.000 0.446 1023 H N 0.693 119.747 119.070 -0.027 0.000 3.010 1023 H HA -0.245 4.311 4.556 -0.000 0.000 0.257 1023 H C 1.419 176.813 175.328 0.110 0.000 0.791 1023 H CA 2.222 58.298 56.048 0.047 0.000 1.444 1023 H CB -0.008 29.759 29.762 0.009 0.000 1.227 1023 H HN 0.774 nan 8.280 nan 0.000 0.526 1024 G N 2.826 111.813 108.800 0.311 0.000 2.304 1024 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.252 1024 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.252 1024 G C 1.089 176.126 174.900 0.227 0.000 1.014 1024 G CA 0.819 46.091 45.100 0.287 0.000 0.619 1024 G HN 0.639 nan 8.290 nan 0.000 0.525 1025 N N -1.125 117.687 118.700 0.186 0.000 2.517 1025 N HA 0.498 5.237 4.740 -0.000 0.000 0.202 1025 N C 0.468 176.093 175.510 0.192 0.000 1.042 1025 N CA 0.821 53.972 53.050 0.168 0.000 0.952 1025 N CB 0.522 39.129 38.487 0.200 0.000 1.211 1025 N HN 0.799 nan 8.380 nan 0.000 0.458 1026 F N -1.035 118.925 119.950 0.017 0.000 2.807 1026 F HA 0.719 5.245 4.527 -0.000 0.000 0.316 1026 F C -2.304 173.554 175.800 0.097 0.000 1.162 1026 F CA -1.158 56.837 58.000 -0.008 0.000 0.910 1026 F CB 1.048 40.020 39.000 -0.047 0.000 1.314 1026 F HN -0.103 nan 8.300 nan 0.000 0.454 1027 A N 2.798 125.619 122.820 0.002 0.000 2.540 1027 A HA 0.640 4.960 4.320 -0.000 0.000 0.297 1027 A C -2.637 175.024 177.584 0.128 0.000 1.056 1027 A CA -0.624 51.330 52.037 -0.139 0.000 0.700 1027 A CB 1.802 20.811 19.000 0.015 0.000 1.280 1027 A HN 1.313 nan 8.150 nan 0.000 0.398 1028 L N 3.590 124.863 121.223 0.082 0.000 2.298 1028 L HA 0.740 5.080 4.340 -0.000 0.000 0.284 1028 L C -1.842 175.089 176.870 0.103 0.000 1.013 1028 L CA -0.517 54.400 54.840 0.129 0.000 0.824 1028 L CB 0.871 43.024 42.059 0.157 0.000 1.221 1028 L HN 0.654 nan 8.230 nan 0.000 0.418 1029 L N 4.139 125.460 121.223 0.162 0.000 2.342 1029 L HA 0.566 4.905 4.340 -0.000 0.000 0.271 1029 L C 0.389 177.356 176.870 0.162 0.000 1.008 1029 L CA -0.153 54.788 54.840 0.168 0.000 0.818 1029 L CB 2.170 44.377 42.059 0.246 0.000 1.296 1029 L HN 0.533 nan 8.230 nan 0.000 0.427 1030 T N 3.681 118.304 114.554 0.115 0.000 3.331 1030 T HA 0.218 4.568 4.350 -0.000 0.000 0.381 1030 T C -1.763 173.000 174.700 0.105 0.000 1.656 1030 T CA -0.844 61.318 62.100 0.104 0.000 1.453 1030 T CB 0.805 69.713 68.868 0.068 0.000 1.066 1030 T HN 0.423 nan 8.240 nan 0.000 0.655 1031 P HA -0.250 nan 4.420 nan 0.000 0.221 1031 P C 0.541 177.894 177.300 0.087 0.000 1.151 1031 P CA 1.491 64.657 63.100 0.111 0.000 0.843 1031 P CB 0.318 32.116 31.700 0.164 0.000 0.778 1032 D N 0.420 120.875 120.400 0.093 0.000 2.077 1032 D HA -0.073 4.567 4.640 -0.000 0.000 0.193 1032 D C 1.970 178.303 176.300 0.054 0.000 0.989 1032 D CA 1.627 55.670 54.000 0.073 0.000 0.831 1032 D CB -1.419 39.422 40.800 0.068 0.000 0.979 1032 D HN 0.170 nan 8.370 nan 0.000 0.449 1033 G N 0.268 109.098 108.800 0.050 0.000 3.325 1033 G HA2 0.327 4.287 3.960 -0.000 0.000 0.242 1033 G HA3 0.327 4.287 3.960 -0.000 0.000 0.242 1033 G C -0.332 174.588 174.900 0.033 0.000 1.120 1033 G CA -0.003 45.120 45.100 0.038 0.000 1.778 1033 G HN 0.089 nan 8.290 nan 0.000 0.610 1034 L N -0.065 121.177 121.223 0.032 0.000 2.409 1034 L HA 0.366 4.706 4.340 -0.000 0.000 0.262 1034 L C -0.145 176.734 176.870 0.016 0.000 0.992 1034 L CA -1.257 53.596 54.840 0.021 0.000 0.817 1034 L CB 2.551 44.621 42.059 0.018 0.000 1.350 1034 L HN -0.153 nan 8.230 nan 0.000 0.411 1035 V N 1.861 121.779 119.914 0.007 0.000 2.715 1035 V HA 0.183 4.303 4.120 -0.000 0.000 0.299 1035 V C 0.339 176.433 176.094 0.000 0.000 1.054 1035 V CA -0.842 61.461 62.300 0.006 0.000 1.077 1035 V CB 0.619 32.442 31.823 0.001 0.000 0.972 1035 V HN 0.573 nan 8.190 nan 0.000 0.484 1036 K N 2.954 123.357 120.400 0.006 0.000 2.258 1036 K HA 0.291 4.611 4.320 -0.000 0.000 0.264 1036 K C -0.220 176.372 176.600 -0.014 0.000 1.007 1036 K CA -0.242 56.045 56.287 0.000 0.000 0.941 1036 K CB 0.238 32.749 32.500 0.018 0.000 0.966 1036 K HN 0.592 nan 8.250 nan 0.000 0.480 1037 N N 1.889 120.569 118.700 -0.033 0.000 2.400 1037 N HA 0.236 4.976 4.740 -0.000 0.000 0.288 1037 N C -0.422 175.060 175.510 -0.047 0.000 1.024 1037 N CA -0.539 52.484 53.050 -0.045 0.000 0.894 1037 N CB 1.263 39.709 38.487 -0.067 0.000 1.173 1037 N HN 0.257 nan 8.380 nan 0.000 0.487 1038 I N 4.104 124.660 120.570 -0.023 0.000 2.281 1038 I HA 0.290 4.460 4.170 -0.000 0.000 0.293 1038 I C 0.347 176.461 176.117 -0.005 0.000 1.085 1038 I CA -0.222 61.077 61.300 -0.003 0.000 1.257 1038 I CB -0.282 37.727 38.000 0.014 0.000 1.430 1038 I HN 0.291 nan 8.210 nan 0.000 0.489 1039 I N 8.926 129.483 120.570 -0.023 0.000 2.362 1039 I HA 0.282 4.452 4.170 -0.000 0.000 0.289 1039 I C -1.938 174.293 176.117 0.191 0.000 0.994 1039 I CA -1.948 59.358 61.300 0.011 0.000 1.158 1039 I CB 1.853 39.706 38.000 -0.244 0.000 1.315 1039 I HN 0.281 nan 8.210 nan 0.000 0.451 1040 P HA 0.002 nan 4.420 nan 0.000 0.264 1040 P C 0.793 178.232 177.300 0.231 0.000 1.183 1040 P CA 0.800 63.995 63.100 0.158 0.000 0.763 1040 P CB 0.880 32.639 31.700 0.099 0.000 0.807 1041 G N 2.045 110.922 108.800 0.127 0.000 2.254 1041 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.225 1041 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.225 1041 G C -0.235 174.587 174.900 -0.130 0.000 1.003 1041 G CA -0.497 44.592 45.100 -0.019 0.000 0.622 1041 G HN 0.423 nan 8.290 nan 0.000 0.507 1042 F N 2.842 122.765 119.950 -0.045 0.000 2.404 1042 F HA 0.618 5.145 4.527 -0.000 0.000 0.358 1042 F C 0.432 176.219 175.800 -0.022 0.000 1.120 1042 F CA -0.750 57.222 58.000 -0.047 0.000 1.144 1042 F CB 1.178 40.163 39.000 -0.025 0.000 1.133 1042 F HN -0.063 nan 8.300 nan 0.000 0.495 1043 E N 2.658 122.901 120.200 0.071 0.000 2.207 1043 E HA 0.245 4.595 4.350 -0.000 0.000 0.270 1043 E C -0.228 176.424 176.600 0.087 0.000 0.927 1043 E CA -0.792 55.644 56.400 0.062 0.000 0.799 1043 E CB 1.147 30.849 29.700 0.004 0.000 1.172 1043 E HN 0.474 nan 8.360 nan 0.000 0.404 1044 N N 0.209 118.971 118.700 0.104 0.000 2.699 1044 N HA -0.194 4.545 4.740 -0.000 0.000 0.256 1044 N C -0.325 175.317 175.510 0.220 0.000 0.993 1044 N CA 1.204 54.345 53.050 0.152 0.000 0.759 1044 N CB -1.719 36.835 38.487 0.112 0.000 0.906 1044 N HN 0.655 nan 8.380 nan 0.000 0.541 1045 C N -2.718 116.711 119.300 0.216 0.000 3.302 1045 C HA 0.459 4.919 4.460 -0.000 0.000 0.347 1045 C C -1.262 173.789 174.990 0.101 0.000 1.218 1045 C CA -1.290 57.778 59.018 0.084 0.000 1.234 1045 C CB 2.029 29.807 27.740 0.064 0.000 1.551 1045 C HN 0.241 nan 8.230 nan 0.000 0.501 1046 D N 2.074 122.482 120.400 0.013 0.000 2.317 1046 D HA 0.573 5.213 4.640 -0.000 0.000 0.234 1046 D C 0.076 176.371 176.300 -0.008 0.000 1.112 1046 D CA 0.500 54.528 54.000 0.046 0.000 0.840 1046 D CB 1.834 42.680 40.800 0.077 0.000 1.078 1046 D HN 1.032 nan 8.370 nan 0.000 0.486 1047 A N 2.109 124.908 122.820 -0.036 0.000 2.304 1047 A HA 0.588 4.908 4.320 -0.000 0.000 0.323 1047 A C 0.059 177.599 177.584 -0.073 0.000 1.195 1047 A CA -0.650 51.324 52.037 -0.107 0.000 0.826 1047 A CB 1.304 20.112 19.000 -0.320 0.000 1.184 1047 A HN 0.340 nan 8.150 nan 0.000 0.496 1048 T N 3.446 117.971 114.554 -0.049 0.000 2.906 1048 T HA 0.511 4.861 4.350 -0.000 0.000 0.302 1048 T C -0.380 174.271 174.700 -0.082 0.000 1.002 1048 T CA -0.369 61.702 62.100 -0.049 0.000 0.988 1048 T CB -0.423 68.430 68.868 -0.025 0.000 0.972 1048 T HN 0.463 nan 8.240 nan 0.000 0.447 1049 I N 6.101 126.591 120.570 -0.132 0.000 2.648 1049 I HA 0.143 4.313 4.170 -0.000 0.000 0.284 1049 I C 0.823 176.769 176.117 -0.285 0.000 1.153 1049 I CA -0.104 61.020 61.300 -0.293 0.000 1.426 1049 I CB 0.701 38.525 38.000 -0.294 0.000 1.381 1049 I HN 0.611 nan 8.210 nan 0.000 0.571 1050 L N 3.312 124.302 121.223 -0.389 0.000 2.956 1050 L HA 0.271 4.611 4.340 -0.000 0.000 0.188 1050 L C 0.793 177.470 176.870 -0.322 0.000 1.348 1050 L CA -0.235 54.364 54.840 -0.402 0.000 2.334 1050 L CB -0.447 41.146 42.059 -0.778 0.000 2.247 1050 L HN 0.434 nan 8.230 nan 0.000 1.007 1051 S N 0.158 115.694 115.700 -0.274 0.000 2.576 1051 S HA 0.408 4.878 4.470 -0.000 0.000 0.276 1051 S C -0.091 174.230 174.600 -0.464 0.000 1.339 1051 S CA -0.237 57.764 58.200 -0.332 0.000 1.039 1051 S CB 0.767 63.830 63.200 -0.229 0.000 0.902 1051 S HN 0.583 nan 8.310 nan 0.000 0.516 1052 T N -0.543 113.698 114.554 -0.521 0.000 2.821 1052 T HA 0.444 4.794 4.350 -0.000 0.000 0.306 1052 T C -2.835 171.623 174.700 -0.404 0.000 1.313 1052 T CA -1.640 60.212 62.100 -0.414 0.000 1.012 1052 T CB 1.236 69.931 68.868 -0.288 0.000 1.298 1052 T HN 0.115 nan 8.240 nan 0.000 0.502 1053 P HA -0.009 nan 4.420 nan 0.000 0.218 1053 P C 1.285 178.487 177.300 -0.163 0.000 1.148 1053 P CA 0.990 63.965 63.100 -0.208 0.000 0.822 1053 P CB 0.107 31.728 31.700 -0.132 0.000 0.784 1054 K N -0.648 119.661 120.400 -0.151 0.000 2.442 1054 K HA -0.061 4.259 4.320 -0.000 0.000 0.198 1054 K C 1.582 178.137 176.600 -0.077 0.000 1.044 1054 K CA 0.645 56.872 56.287 -0.100 0.000 0.948 1054 K CB -0.429 32.017 32.500 -0.090 0.000 0.762 1054 K HN 0.155 nan 8.250 nan 0.000 0.472 1055 L N -1.477 119.639 121.223 -0.179 0.000 2.616 1055 L HA 0.135 4.475 4.340 -0.000 0.000 0.229 1055 L C 0.843 177.597 176.870 -0.194 0.000 1.110 1055 L CA 0.876 55.597 54.840 -0.199 0.000 0.884 1055 L CB 0.407 42.182 42.059 -0.472 0.000 1.115 1055 L HN 0.520 nan 8.230 nan 0.000 0.481 1056 G N -0.263 108.439 108.800 -0.164 0.000 2.253 1056 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.209 1056 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.209 1056 G C 0.477 175.370 174.900 -0.012 0.000 0.997 1056 G CA 0.015 45.117 45.100 0.003 0.000 0.640 1056 G HN 0.552 nan 8.290 nan 0.000 0.496 1057 A N 0.647 123.252 122.820 -0.358 0.000 2.425 1057 A HA 0.648 4.968 4.320 -0.000 0.000 0.242 1057 A C 1.370 178.780 177.584 -0.290 0.000 1.077 1057 A CA 1.224 53.004 52.037 -0.427 0.000 0.781 1057 A CB 0.405 18.632 19.000 -1.288 0.000 1.020 1057 A HN 1.670 nan 8.150 nan 0.000 0.494 1058 S N 0.035 115.689 115.700 -0.077 0.000 2.537 1058 S HA 0.549 5.019 4.470 -0.000 0.000 0.246 1058 S C -0.222 174.474 174.600 0.160 0.000 1.036 1058 S CA -0.262 57.978 58.200 0.066 0.000 1.041 1058 S CB -1.053 62.252 63.200 0.174 0.000 0.799 1058 S HN 1.164 nan 8.310 nan 0.000 0.456 1059 F N -2.393 117.533 119.950 -0.039 0.000 2.779 1059 F HA 0.837 5.364 4.527 -0.000 0.000 0.316 1059 F C -1.715 173.951 175.800 -0.222 0.000 1.164 1059 F CA -1.537 56.357 58.000 -0.177 0.000 0.924 1059 F CB 0.967 39.786 39.000 -0.301 0.000 1.348 1059 F HN -0.161 nan 8.300 nan 0.000 0.467 1060 V N 1.636 121.494 119.914 -0.092 0.000 2.577 1060 V HA 0.546 4.665 4.120 -0.000 0.000 0.303 1060 V C -1.548 174.452 176.094 -0.157 0.000 1.042 1060 V CA -0.475 61.691 62.300 -0.224 0.000 0.872 1060 V CB 1.619 33.297 31.823 -0.241 0.000 0.998 1060 V HN 0.903 nan 8.190 nan 0.000 0.423 1061 D N 2.662 122.946 120.400 -0.194 0.000 2.477 1061 D HA 0.723 5.362 4.640 -0.000 0.000 0.234 1061 D C -1.302 174.755 176.300 -0.404 0.000 1.048 1061 D CA -0.623 53.325 54.000 -0.085 0.000 0.959 1061 D CB 1.942 42.926 40.800 0.306 0.000 1.408 1061 D HN 0.291 nan 8.370 nan 0.000 0.496 1062 Y N -1.240 118.884 120.300 -0.294 0.000 2.609 1062 Y HA 0.578 5.128 4.550 -0.000 0.000 0.342 1062 Y C -0.784 174.956 175.900 -0.267 0.000 1.058 1062 Y CA -1.384 56.554 58.100 -0.271 0.000 1.055 1062 Y CB 1.799 40.095 38.460 -0.272 0.000 1.292 1062 Y HN 0.461 nan 8.280 nan 0.000 0.476 1063 L N 1.975 123.198 121.223 -0.001 0.000 2.376 1063 L HA 0.879 5.219 4.340 -0.000 0.000 0.275 1063 L C -1.840 175.001 176.870 -0.048 0.000 0.987 1063 L CA -0.782 54.032 54.840 -0.043 0.000 0.828 1063 L CB 1.256 43.284 42.059 -0.052 0.000 1.249 1063 L HN 0.530 nan 8.230 nan 0.000 0.409 1064 V N 2.530 122.400 119.914 -0.074 0.000 2.569 1064 V HA 0.388 4.508 4.120 -0.000 0.000 0.301 1064 V C 0.013 176.061 176.094 -0.075 0.000 1.044 1064 V CA -0.547 61.713 62.300 -0.067 0.000 0.874 1064 V CB 2.006 33.797 31.823 -0.053 0.000 1.002 1064 V HN 0.802 nan 8.190 nan 0.000 0.424 1065 T N 3.777 118.277 114.554 -0.089 0.000 2.744 1065 T HA 0.722 5.072 4.350 -0.000 0.000 0.291 1065 T C -0.507 174.035 174.700 -0.264 0.000 0.957 1065 T CA -0.471 61.542 62.100 -0.145 0.000 1.002 1065 T CB 0.558 69.346 68.868 -0.134 0.000 0.919 1065 T HN 0.392 nan 8.240 nan 0.000 0.468 1066 L N 4.562 125.669 121.223 -0.193 0.000 2.265 1066 L HA 0.449 4.789 4.340 -0.000 0.000 0.288 1066 L C 0.746 177.497 176.870 -0.200 0.000 1.058 1066 L CA -0.913 53.833 54.840 -0.156 0.000 0.809 1066 L CB 0.338 42.380 42.059 -0.029 0.000 1.179 1066 L HN 0.767 nan 8.230 nan 0.000 0.429 1067 H N 0.844 119.942 119.070 0.046 0.000 2.584 1067 H HA 0.234 4.790 4.556 -0.000 0.000 0.299 1067 H C -0.286 175.060 175.328 0.030 0.000 1.548 1067 H CA -0.803 55.266 56.048 0.035 0.000 1.544 1067 H CB 0.483 30.265 29.762 0.033 0.000 1.732 1067 H HN 0.496 nan 8.280 nan 0.000 0.813 1068 Q N 1.131 121.035 119.800 0.173 0.000 2.247 1068 Q HA -0.045 4.295 4.340 -0.000 0.000 0.288 1068 Q C -0.302 175.742 176.000 0.073 0.000 1.079 1068 Q CA 0.302 56.158 55.803 0.090 0.000 0.932 1068 Q CB 0.010 28.786 28.738 0.064 0.000 1.133 1068 Q HN 0.597 nan 8.270 nan 0.000 0.377 1069 N N -0.262 118.467 118.700 0.048 0.000 2.850 1069 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 1069 N C -0.173 175.356 175.510 0.032 0.000 1.060 1069 N CA 0.759 53.827 53.050 0.029 0.000 0.825 1069 N CB -0.961 37.538 38.487 0.020 0.000 1.132 1069 N HN 0.732 nan 8.380 nan 0.000 0.564 1070 G N -0.869 107.965 108.800 0.055 0.000 2.415 1070 G HA2 0.632 4.592 3.960 -0.000 0.000 0.269 1070 G HA3 0.632 4.592 3.960 -0.000 0.000 0.269 1070 G C 0.666 175.600 174.900 0.057 0.000 1.209 1070 G CA 0.312 45.449 45.100 0.061 0.000 0.835 1070 G HN 0.569 nan 8.290 nan 0.000 0.534 1071 G N 0.599 109.418 108.800 0.032 0.000 2.368 1071 G HA2 0.268 4.228 3.960 -0.000 0.000 0.269 1071 G HA3 0.268 4.228 3.960 -0.000 0.000 0.269 1071 G C -1.607 173.039 174.900 -0.423 0.000 1.291 1071 G CA -0.644 44.447 45.100 -0.015 0.000 0.903 1071 G HN 0.878 nan 8.290 nan 0.000 0.483 1072 N N 0.435 118.527 118.700 -1.012 0.000 2.519 1072 N HA 0.281 5.021 4.740 -0.000 0.000 0.286 1072 N C 0.149 175.199 175.510 -0.767 0.000 1.079 1072 N CA -0.422 52.005 53.050 -1.039 0.000 0.878 1072 N CB 1.896 39.434 38.487 -1.583 0.000 1.375 1072 N HN 0.446 nan 8.380 nan 0.000 0.514 1073 Q N 1.439 120.974 119.800 -0.443 0.000 2.356 1073 Q HA -0.003 4.337 4.340 -0.000 0.000 0.205 1073 Q C 1.149 177.009 176.000 -0.233 0.000 0.901 1073 Q CA 0.297 55.925 55.803 -0.292 0.000 0.938 1073 Q CB 0.595 29.219 28.738 -0.190 0.000 1.081 1073 Q HN 0.726 nan 8.270 nan 0.000 0.517 1074 Q N 0.513 120.160 119.800 -0.257 0.000 2.269 1074 Q HA 0.076 4.416 4.340 -0.000 0.000 0.201 1074 Q C -0.175 175.734 176.000 -0.152 0.000 0.946 1074 Q CA 0.928 56.627 55.803 -0.173 0.000 0.877 1074 Q CB 0.443 29.093 28.738 -0.147 0.000 0.963 1074 Q HN 0.278 nan 8.270 nan 0.000 0.472 1075 G N 0.283 108.963 108.800 -0.199 0.000 3.435 1075 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.683 1075 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.683 1075 G C -0.595 174.274 174.900 -0.051 0.000 1.189 1075 G CA -0.180 44.850 45.100 -0.117 0.000 1.069 1075 G HN 0.242 nan 8.290 nan 0.000 0.508 1076 F N 3.062 122.900 119.950 -0.187 0.000 2.118 1076 F HA 0.300 4.826 4.527 -0.000 0.000 0.293 1076 F C 2.112 177.898 175.800 -0.024 0.000 1.102 1076 F CA 2.511 60.450 58.000 -0.100 0.000 1.247 1076 F CB -0.647 38.352 39.000 -0.003 0.000 1.017 1076 F HN 0.801 nan 8.300 nan 0.000 0.475 1077 G N -0.322 108.311 108.800 -0.279 0.000 1.956 1077 G HA2 0.273 4.233 3.960 -0.000 0.000 0.522 1077 G HA3 0.273 4.233 3.960 -0.000 0.000 0.522 1077 G C 0.159 174.885 174.900 -0.291 0.000 1.379 1077 G CA 0.399 45.269 45.100 -0.383 0.000 1.070 1077 G HN 1.088 nan 8.290 nan 0.000 0.470 1078 G N -3.086 105.611 108.800 -0.172 0.000 2.347 1078 G HA2 0.365 4.325 3.960 -0.000 0.000 0.303 1078 G HA3 0.365 4.325 3.960 -0.000 0.000 0.303 1078 G C -1.089 173.767 174.900 -0.073 0.000 1.481 1078 G CA -0.559 44.474 45.100 -0.111 0.000 0.914 1078 G HN 0.493 nan 8.290 nan 0.000 0.638 1079 E N 0.122 120.296 120.200 -0.043 0.000 2.415 1079 E HA 0.400 4.750 4.350 -0.000 0.000 0.263 1079 E C 1.412 178.010 176.600 -0.003 0.000 0.995 1079 E CA 1.294 57.682 56.400 -0.020 0.000 0.915 1079 E CB 0.881 30.576 29.700 -0.009 0.000 0.951 1079 E HN 2.039 nan 8.360 nan 0.000 0.449 1080 G N 3.413 112.223 108.800 0.017 0.000 2.166 1080 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 1080 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 1080 G C 0.319 175.263 174.900 0.074 0.000 0.986 1080 G CA 0.332 45.471 45.100 0.064 0.000 0.683 1080 G HN 0.482 nan 8.290 nan 0.000 0.527 1081 I N 1.175 121.753 120.570 0.014 0.000 2.378 1081 I HA 0.384 4.553 4.170 -0.000 0.000 0.291 1081 I C 0.390 176.488 176.117 -0.032 0.000 0.992 1081 I CA -0.884 60.414 61.300 -0.004 0.000 1.154 1081 I CB 1.430 39.383 38.000 -0.079 0.000 1.315 1081 I HN 0.387 nan 8.210 nan 0.000 0.448 1082 E N 4.767 124.989 120.200 0.037 0.000 2.214 1082 E HA 0.661 5.011 4.350 -0.000 0.000 0.274 1082 E C -0.848 175.757 176.600 0.009 0.000 0.977 1082 E CA -0.675 55.714 56.400 -0.019 0.000 0.827 1082 E CB 1.975 31.764 29.700 0.148 0.000 1.130 1082 E HN 0.566 nan 8.360 nan 0.000 0.394 1083 T N -0.444 114.048 114.554 -0.104 0.000 2.901 1083 T HA 0.665 5.015 4.350 -0.000 0.000 0.293 1083 T C -1.067 173.743 174.700 0.184 0.000 1.084 1083 T CA -0.894 61.286 62.100 0.133 0.000 1.008 1083 T CB 1.270 70.239 68.868 0.168 0.000 1.170 1083 T HN 0.530 nan 8.240 nan 0.000 0.509 1084 F N 1.038 121.117 119.950 0.214 0.000 2.588 1084 F HA 0.720 5.247 4.527 -0.000 0.000 0.314 1084 F C -2.105 173.753 175.800 0.097 0.000 1.134 1084 F CA -1.163 56.933 58.000 0.161 0.000 0.961 1084 F CB 1.639 40.747 39.000 0.180 0.000 1.239 1084 F HN 0.858 nan 8.300 nan 0.000 0.448 1085 L N 6.961 127.786 121.223 -0.664 0.000 2.362 1085 L HA 0.631 4.971 4.340 -0.000 0.000 0.271 1085 L C -2.196 174.316 176.870 -0.598 0.000 1.002 1085 L CA -0.921 53.615 54.840 -0.506 0.000 0.818 1085 L CB 1.999 43.794 42.059 -0.440 0.000 1.298 1085 L HN 0.796 nan 8.230 nan 0.000 0.420 1086 Y N 4.045 124.167 120.300 -0.297 0.000 2.354 1086 Y HA 0.485 5.035 4.550 -0.000 0.000 0.330 1086 Y C -1.143 174.736 175.900 -0.034 0.000 1.011 1086 Y CA -0.802 57.234 58.100 -0.107 0.000 1.099 1086 Y CB 1.799 40.344 38.460 0.143 0.000 1.179 1086 Y HN 0.277 nan 8.280 nan 0.000 0.442 1087 V N 8.798 128.326 119.914 -0.643 0.000 2.397 1087 V HA 0.026 4.146 4.120 -0.000 0.000 0.262 1087 V C 1.228 177.057 176.094 -0.442 0.000 1.047 1087 V CA 0.528 62.574 62.300 -0.423 0.000 1.003 1087 V CB 0.061 31.696 31.823 -0.314 0.000 1.037 1087 V HN 0.931 nan 8.190 nan 0.000 0.480 1088 I N 3.346 123.900 120.570 -0.027 0.000 2.315 1088 I HA -0.052 4.118 4.170 -0.000 0.000 0.248 1088 I C 1.020 177.202 176.117 0.108 0.000 1.117 1088 I CA 1.207 62.636 61.300 0.216 0.000 1.404 1088 I CB 0.115 38.267 38.000 0.254 0.000 1.071 1088 I HN 0.816 nan 8.210 nan 0.000 0.419 1089 S N -0.937 114.780 115.700 0.028 0.000 2.586 1089 S HA 0.644 5.113 4.470 -0.000 0.000 0.277 1089 S C -0.388 174.210 174.600 -0.003 0.000 1.131 1089 S CA -0.289 57.927 58.200 0.026 0.000 0.848 1089 S CB 1.283 64.521 63.200 0.063 0.000 1.091 1089 S HN 0.677 nan 8.310 nan 0.000 0.453 1090 G N 1.829 110.629 108.800 0.000 0.000 2.482 1090 G HA2 0.084 4.044 3.960 -0.000 0.000 0.214 1090 G HA3 0.084 4.044 3.960 -0.000 0.000 0.214 1090 G C -1.219 173.670 174.900 -0.017 0.000 1.271 1090 G CA -0.213 44.885 45.100 -0.003 0.000 0.944 1090 G HN 1.305 nan 8.290 nan 0.000 0.568 1091 N N -0.424 118.267 118.700 -0.015 0.000 2.369 1091 N HA 0.681 5.421 4.740 -0.000 0.000 0.287 1091 N C -0.189 175.314 175.510 -0.012 0.000 1.067 1091 N CA -0.040 53.001 53.050 -0.016 0.000 0.888 1091 N CB 2.034 40.519 38.487 -0.004 0.000 1.616 1091 N HN 1.077 nan 8.380 nan 0.000 0.482 1092 I N -2.432 118.128 120.570 -0.017 0.000 3.239 1092 I HA 0.783 4.953 4.170 -0.000 0.000 0.314 1092 I C -0.917 175.215 176.117 0.024 0.000 1.126 1092 I CA -0.592 60.710 61.300 0.003 0.000 0.973 1092 I CB 2.630 40.620 38.000 -0.016 0.000 1.252 1092 I HN 0.197 nan 8.210 nan 0.000 0.463 1093 T N 2.595 117.181 114.554 0.052 0.000 2.892 1093 T HA 0.742 5.092 4.350 -0.000 0.000 0.311 1093 T C -0.365 174.400 174.700 0.108 0.000 1.033 1093 T CA -0.430 61.709 62.100 0.065 0.000 0.991 1093 T CB 1.108 69.997 68.868 0.036 0.000 0.981 1093 T HN 0.858 nan 8.240 nan 0.000 0.457 1094 A N 3.799 126.710 122.820 0.151 0.000 2.294 1094 A HA 0.880 5.200 4.320 -0.000 0.000 0.330 1094 A C -0.274 177.459 177.584 0.248 0.000 1.133 1094 A CA -0.742 51.414 52.037 0.200 0.000 0.836 1094 A CB 0.913 20.001 19.000 0.147 0.000 1.190 1094 A HN 0.714 nan 8.150 nan 0.000 0.492 1095 K N -0.183 120.337 120.400 0.201 0.000 2.513 1095 K HA 0.687 5.007 4.320 -0.000 0.000 0.251 1095 K C -1.217 175.484 176.600 0.169 0.000 0.939 1095 K CA -0.379 56.015 56.287 0.179 0.000 0.793 1095 K CB 2.511 35.047 32.500 0.060 0.000 1.241 1095 K HN 1.099 nan 8.250 nan 0.000 0.431 1096 A N 1.688 124.643 122.820 0.226 0.000 2.599 1096 A HA 0.374 4.694 4.320 -0.000 0.000 0.294 1096 A C -0.981 176.706 177.584 0.171 0.000 1.055 1096 A CA -0.730 51.405 52.037 0.163 0.000 0.683 1096 A CB 0.811 19.893 19.000 0.136 0.000 1.278 1096 A HN 0.841 nan 8.150 nan 0.000 0.412 1097 E N 0.286 120.547 120.200 0.101 0.000 2.238 1097 E HA -0.274 4.076 4.350 -0.000 0.000 0.219 1097 E C 1.152 177.792 176.600 0.067 0.000 1.275 1097 E CA 1.418 57.869 56.400 0.086 0.000 0.714 1097 E CB -1.668 28.102 29.700 0.118 0.000 1.154 1097 E HN 2.452 nan 8.360 nan 0.000 0.363 1098 G N -0.208 108.616 108.800 0.040 0.000 2.196 1098 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.268 1098 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.268 1098 G C 0.361 175.245 174.900 -0.028 0.000 0.975 1098 G CA 1.358 46.461 45.100 0.005 0.000 0.648 1098 G HN 0.380 nan 8.290 nan 0.000 0.538 1099 K N -0.409 119.974 120.400 -0.028 0.000 2.267 1099 K HA 0.718 5.038 4.320 -0.000 0.000 0.236 1099 K C -0.356 176.067 176.600 -0.294 0.000 1.030 1099 K CA -0.416 55.746 56.287 -0.207 0.000 0.930 1099 K CB 1.210 33.517 32.500 -0.322 0.000 1.182 1099 K HN 0.052 nan 8.250 nan 0.000 0.474 1100 T N 1.009 115.221 114.554 -0.570 0.000 2.886 1100 T HA 0.570 4.920 4.350 -0.000 0.000 0.292 1100 T C -1.413 172.868 174.700 -0.698 0.000 1.012 1100 T CA -0.664 61.194 62.100 -0.403 0.000 0.982 1100 T CB 0.441 69.190 68.868 -0.199 0.000 1.018 1100 T HN 0.271 nan 8.240 nan 0.000 0.451 1101 F N 1.196 121.132 119.950 -0.023 0.000 2.547 1101 F HA 0.665 5.192 4.527 -0.000 0.000 0.316 1101 F C 0.215 175.992 175.800 -0.037 0.000 1.121 1101 F CA -1.217 56.761 58.000 -0.037 0.000 0.911 1101 F CB 1.563 40.531 39.000 -0.054 0.000 1.179 1101 F HN 0.626 nan 8.300 nan 0.000 0.443 1102 A N 5.226 128.109 122.820 0.106 0.000 2.478 1102 A HA 0.692 5.012 4.320 -0.000 0.000 0.327 1102 A C -0.721 176.889 177.584 0.044 0.000 1.431 1102 A CA -0.439 51.629 52.037 0.052 0.000 1.014 1102 A CB -0.323 18.688 19.000 0.018 0.000 1.143 1102 A HN 0.784 nan 8.150 nan 0.000 0.532 1103 L N 2.959 124.197 121.223 0.025 0.000 2.275 1103 L HA 0.470 4.810 4.340 -0.000 0.000 0.288 1103 L C 0.874 177.720 176.870 -0.040 0.000 1.046 1103 L CA -0.320 54.506 54.840 -0.023 0.000 0.805 1103 L CB 1.552 43.568 42.059 -0.072 0.000 1.193 1103 L HN 0.797 nan 8.230 nan 0.000 0.426 1104 S N 1.249 116.925 115.700 -0.040 0.000 2.786 1104 S HA 0.344 4.814 4.470 -0.000 0.000 0.307 1104 S C -0.292 174.268 174.600 -0.068 0.000 1.121 1104 S CA -0.923 57.255 58.200 -0.037 0.000 0.975 1104 S CB 1.362 64.555 63.200 -0.012 0.000 1.220 1104 S HN 0.651 nan 8.310 nan 0.000 0.550 1105 E N -0.400 119.772 120.200 -0.048 0.000 2.568 1105 E HA 0.285 4.635 4.350 -0.000 0.000 0.262 1105 E C 1.294 177.851 176.600 -0.072 0.000 0.961 1105 E CA 1.093 57.456 56.400 -0.062 0.000 0.945 1105 E CB -0.453 29.250 29.700 0.005 0.000 0.924 1105 E HN 1.231 nan 8.360 nan 0.000 0.467 1106 G N 2.664 111.348 108.800 -0.194 0.000 2.205 1106 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.261 1106 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.261 1106 G C 0.487 175.359 174.900 -0.047 0.000 0.980 1106 G CA 0.108 45.163 45.100 -0.075 0.000 0.632 1106 G HN 0.904 nan 8.290 nan 0.000 0.533 1107 G N 0.126 108.841 108.800 -0.143 0.000 2.442 1107 G HA2 0.647 4.607 3.960 -0.000 0.000 0.249 1107 G HA3 0.647 4.607 3.960 -0.000 0.000 0.249 1107 G C -0.269 174.592 174.900 -0.066 0.000 1.263 1107 G CA 0.414 45.480 45.100 -0.057 0.000 0.846 1107 G HN 1.517 nan 8.290 nan 0.000 0.555 1108 Y N 0.167 120.402 120.300 -0.107 0.000 2.581 1108 Y HA 0.783 5.333 4.550 -0.000 0.000 0.345 1108 Y C -1.394 174.343 175.900 -0.272 0.000 1.036 1108 Y CA -2.232 55.741 58.100 -0.211 0.000 1.042 1108 Y CB 2.149 40.635 38.460 0.042 0.000 1.289 1108 Y HN 0.605 nan 8.280 nan 0.000 0.471 1109 L N 3.453 124.458 121.223 -0.363 0.000 2.516 1109 L HA 0.490 4.830 4.340 -0.000 0.000 0.267 1109 L C -2.235 174.516 176.870 -0.199 0.000 0.957 1109 L CA -0.824 53.789 54.840 -0.379 0.000 0.860 1109 L CB 1.695 43.480 42.059 -0.457 0.000 1.265 1109 L HN 0.798 nan 8.230 nan 0.000 0.403 1110 Y N 4.779 125.050 120.300 -0.048 0.000 2.360 1110 Y HA 0.721 5.271 4.550 -0.000 0.000 0.337 1110 Y C -0.936 175.009 175.900 0.075 0.000 1.039 1110 Y CA -0.551 57.638 58.100 0.148 0.000 1.109 1110 Y CB 1.533 40.200 38.460 0.346 0.000 1.201 1110 Y HN 0.760 nan 8.280 nan 0.000 0.458 1111 C N 9.032 127.814 119.300 -0.863 0.000 2.396 1111 C HA 0.488 4.948 4.460 -0.000 0.000 0.321 1111 C C -2.222 172.310 174.990 -0.763 0.000 1.233 1111 C CA -1.479 57.215 59.018 -0.540 0.000 1.440 1111 C CB 1.469 29.062 27.740 -0.245 0.000 2.110 1111 C HN 0.688 nan 8.230 nan 0.000 0.473 1112 P HA 0.206 nan 4.420 nan 0.000 0.274 1112 P C -2.760 174.418 177.300 -0.203 0.000 1.260 1112 P CA -1.082 61.921 63.100 -0.161 0.000 0.793 1112 P CB -0.432 31.238 31.700 -0.050 0.000 1.048 1113 P HA 0.003 nan 4.420 nan 0.000 0.264 1113 P C 1.131 178.376 177.300 -0.091 0.000 1.183 1113 P CA 1.689 64.711 63.100 -0.131 0.000 0.763 1113 P CB -0.350 31.277 31.700 -0.121 0.000 0.807 1114 G N 2.219 110.977 108.800 -0.070 0.000 2.383 1114 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.229 1114 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.229 1114 G C 0.457 175.326 174.900 -0.050 0.000 1.089 1114 G CA 0.082 45.152 45.100 -0.051 0.000 0.640 1114 G HN 0.548 nan 8.290 nan 0.000 0.510 1115 S N 2.703 118.370 115.700 -0.054 0.000 3.024 1115 S HA 0.477 4.946 4.470 -0.000 0.000 0.316 1115 S C 0.641 175.217 174.600 -0.040 0.000 1.197 1115 S CA -0.294 57.885 58.200 -0.034 0.000 1.097 1115 S CB 0.206 63.395 63.200 -0.017 0.000 1.471 1115 S HN 0.461 nan 8.310 nan 0.000 0.543 1116 L N 2.927 124.127 121.223 -0.037 0.000 2.554 1116 L HA 0.087 4.427 4.340 -0.000 0.000 0.293 1116 L C 0.276 177.149 176.870 0.004 0.000 1.252 1116 L CA 1.176 55.996 54.840 -0.034 0.000 0.862 1116 L CB -0.024 42.011 42.059 -0.039 0.000 1.113 1116 L HN 0.608 nan 8.230 nan 0.000 0.510 1117 M N 2.736 122.364 119.600 0.047 0.000 2.465 1117 M HA 0.616 5.095 4.480 -0.000 0.000 0.316 1117 M C -0.813 175.505 176.300 0.030 0.000 1.121 1117 M CA -0.393 54.965 55.300 0.096 0.000 0.934 1117 M CB 1.976 34.695 32.600 0.198 0.000 1.692 1117 M HN 0.745 nan 8.290 nan 0.000 0.444 1118 T N 1.159 115.702 114.554 -0.019 0.000 2.906 1118 T HA 0.865 5.215 4.350 -0.000 0.000 0.295 1118 T C -0.915 173.699 174.700 -0.143 0.000 1.061 1118 T CA -0.654 61.294 62.100 -0.254 0.000 1.000 1118 T CB 1.605 70.353 68.868 -0.200 0.000 1.103 1118 T HN 0.713 nan 8.240 nan 0.000 0.486 1119 F N -1.152 118.722 119.950 -0.125 0.000 2.703 1119 F HA 0.831 5.358 4.527 -0.000 0.000 0.308 1119 F C -1.910 173.820 175.800 -0.118 0.000 1.126 1119 F CA -1.324 56.610 58.000 -0.110 0.000 0.959 1119 F CB 1.059 39.978 39.000 -0.135 0.000 1.297 1119 F HN 0.584 nan 8.300 nan 0.000 0.441 1120 V N 1.148 121.152 119.914 0.149 0.000 3.120 1120 V HA 0.370 4.490 4.120 -0.000 0.000 0.303 1120 V C -0.948 175.195 176.094 0.080 0.000 1.238 1120 V CA -0.963 61.382 62.300 0.075 0.000 1.008 1120 V CB 2.131 33.949 31.823 -0.008 0.000 1.064 1120 V HN 0.902 nan 8.190 nan 0.000 0.434 1121 N N 1.775 120.512 118.700 0.060 0.000 2.458 1121 N HA 0.226 4.966 4.740 -0.000 0.000 0.258 1121 N C 0.515 176.041 175.510 0.027 0.000 1.219 1121 N CA 0.721 53.794 53.050 0.037 0.000 0.902 1121 N CB 1.800 40.308 38.487 0.034 0.000 1.076 1121 N HN 0.893 nan 8.380 nan 0.000 0.455 1122 A N 3.046 125.878 122.820 0.019 0.000 2.390 1122 A HA 0.084 4.404 4.320 -0.000 0.000 0.232 1122 A C 0.517 178.108 177.584 0.013 0.000 1.233 1122 A CA 0.045 52.091 52.037 0.014 0.000 0.907 1122 A CB -0.098 18.909 19.000 0.012 0.000 0.967 1122 A HN 0.812 nan 8.150 nan 0.000 0.512 1123 Q N -2.832 116.978 119.800 0.016 0.000 2.633 1123 Q HA 0.801 5.141 4.340 -0.000 0.000 0.292 1123 Q C 0.632 176.647 176.000 0.024 0.000 1.089 1123 Q CA -0.289 55.525 55.803 0.017 0.000 0.811 1123 Q CB 1.503 30.251 28.738 0.016 0.000 1.472 1123 Q HN 0.030 nan 8.270 nan 0.000 0.464 1124 A N 0.320 123.155 122.820 0.025 0.000 1.874 1124 A HA -0.006 4.314 4.320 -0.000 0.000 0.214 1124 A C 0.265 177.874 177.584 0.042 0.000 1.189 1124 A CA 1.081 53.136 52.037 0.030 0.000 0.615 1124 A CB -0.516 18.499 19.000 0.025 0.000 0.830 1124 A HN 0.744 nan 8.150 nan 0.000 0.443 1125 E N 1.293 121.517 120.200 0.040 0.000 2.391 1125 E HA 0.322 4.672 4.350 -0.000 0.000 0.255 1125 E C -0.792 175.841 176.600 0.055 0.000 1.187 1125 E CA -0.510 55.920 56.400 0.050 0.000 0.941 1125 E CB 0.185 29.910 29.700 0.041 0.000 1.010 1125 E HN 0.230 nan 8.360 nan 0.000 0.458 1126 D N 0.365 120.808 120.400 0.071 0.000 2.424 1126 D HA 0.114 4.753 4.640 -0.000 0.000 0.244 1126 D C -0.608 175.700 176.300 0.014 0.000 1.134 1126 D CA 0.333 54.362 54.000 0.048 0.000 0.881 1126 D CB 0.660 41.497 40.800 0.063 0.000 1.191 1126 D HN 0.118 nan 8.370 nan 0.000 0.445 1127 S N 1.379 117.071 115.700 -0.014 0.000 2.454 1127 S HA 0.269 4.739 4.470 -0.000 0.000 0.306 1127 S C -0.194 174.380 174.600 -0.044 0.000 1.100 1127 S CA -0.759 57.429 58.200 -0.021 0.000 1.087 1127 S CB 1.892 65.079 63.200 -0.022 0.000 1.019 1127 S HN 0.391 nan 8.310 nan 0.000 0.480 1128 Q N 2.611 122.394 119.800 -0.028 0.000 2.271 1128 Q HA 0.663 5.003 4.340 -0.000 0.000 0.258 1128 Q C -1.444 174.527 176.000 -0.048 0.000 0.936 1128 Q CA -0.539 55.246 55.803 -0.030 0.000 0.909 1128 Q CB 0.797 29.548 28.738 0.023 0.000 1.253 1128 Q HN 0.556 nan 8.270 nan 0.000 0.440 1129 I N 3.158 123.677 120.570 -0.085 0.000 2.740 1129 I HA 0.465 4.635 4.170 -0.000 0.000 0.303 1129 I C -1.493 174.596 176.117 -0.047 0.000 1.044 1129 I CA -0.760 60.469 61.300 -0.119 0.000 1.064 1129 I CB 1.940 39.755 38.000 -0.308 0.000 1.249 1129 I HN 0.665 nan 8.210 nan 0.000 0.433 1130 F N 6.692 126.570 119.950 -0.120 0.000 2.449 1130 F HA 0.681 5.208 4.527 -0.000 0.000 0.342 1130 F C -1.591 174.205 175.800 -0.007 0.000 1.127 1130 F CA -0.568 57.389 58.000 -0.070 0.000 0.975 1130 F CB 0.795 39.804 39.000 0.014 0.000 1.146 1130 F HN 0.183 nan 8.300 nan 0.000 0.444 1131 L N 6.366 127.177 121.223 -0.686 0.000 2.330 1131 L HA 0.543 4.883 4.340 -0.000 0.000 0.271 1131 L C -1.631 175.082 176.870 -0.261 0.000 1.013 1131 L CA -1.236 53.335 54.840 -0.447 0.000 0.816 1131 L CB 2.262 44.010 42.059 -0.520 0.000 1.287 1131 L HN 0.700 nan 8.230 nan 0.000 0.435 1132 Y N 2.686 122.993 120.300 0.011 0.000 2.519 1132 Y HA 0.493 5.043 4.550 -0.000 0.000 0.336 1132 Y C -1.404 174.729 175.900 0.388 0.000 1.089 1132 Y CA -1.096 57.120 58.100 0.192 0.000 1.025 1132 Y CB 1.618 40.140 38.460 0.104 0.000 1.318 1132 Y HN 0.537 nan 8.280 nan 0.000 0.452 1133 K N 5.117 125.484 120.400 -0.055 0.000 2.551 1133 K HA 0.851 5.171 4.320 -0.000 0.000 0.269 1133 K C -1.800 174.691 176.600 -0.181 0.000 0.949 1133 K CA -1.172 55.131 56.287 0.027 0.000 0.849 1133 K CB 2.979 35.521 32.500 0.070 0.000 1.411 1133 K HN 0.879 nan 8.250 nan 0.000 0.432 1134 R N 0.556 121.064 120.500 0.015 0.000 2.733 1134 R HA 0.425 4.765 4.340 -0.000 0.000 0.272 1134 R C -1.563 174.804 176.300 0.112 0.000 1.029 1134 R CA -1.279 54.866 56.100 0.075 0.000 0.888 1134 R CB 1.441 31.855 30.300 0.189 0.000 1.251 1134 R HN 0.674 nan 8.270 nan 0.000 0.464 1135 R N 1.777 122.338 120.500 0.103 0.000 2.210 1135 R HA 0.126 4.466 4.340 -0.000 0.000 0.338 1135 R C -1.014 175.369 176.300 0.138 0.000 1.062 1135 R CA -0.419 55.741 56.100 0.100 0.000 0.902 1135 R CB 0.238 30.573 30.300 0.059 0.000 1.050 1135 R HN 0.659 nan 8.270 nan 0.000 0.461 1136 Y N 3.966 124.300 120.300 0.057 0.000 2.597 1136 Y HA 0.139 4.689 4.550 -0.000 0.000 0.336 1136 Y C -0.670 175.257 175.900 0.046 0.000 1.216 1136 Y CA 0.155 58.292 58.100 0.062 0.000 1.463 1136 Y CB 0.796 39.288 38.460 0.053 0.000 1.303 1136 Y HN 0.278 nan 8.280 nan 0.000 0.576 1137 V N 9.284 128.641 119.914 -0.928 0.000 2.313 1137 V HA 0.280 4.400 4.120 -0.000 0.000 0.278 1137 V C -2.063 173.487 176.094 -0.906 0.000 1.017 1137 V CA -1.858 60.051 62.300 -0.653 0.000 0.823 1137 V CB 0.887 32.509 31.823 -0.334 0.000 1.010 1137 V HN 0.702 nan 8.190 nan 0.000 0.443 1138 P HA 0.287 nan 4.420 nan 0.000 0.274 1138 P C -0.813 176.475 177.300 -0.020 0.000 1.231 1138 P CA 0.000 63.081 63.100 -0.033 0.000 0.790 1138 P CB 2.391 34.200 31.700 0.182 0.000 0.951 1139 V N 1.921 121.886 119.914 0.085 0.000 2.841 1139 V HA 0.216 4.336 4.120 -0.000 0.000 0.310 1139 V C -0.293 175.927 176.094 0.209 0.000 1.090 1139 V CA -0.920 61.436 62.300 0.093 0.000 0.930 1139 V CB 1.984 33.817 31.823 0.017 0.000 1.014 1139 V HN 0.441 nan 8.190 nan 0.000 0.425 1140 E N 3.500 123.807 120.200 0.179 0.000 2.558 1140 E HA 0.217 4.567 4.350 -0.000 0.000 0.255 1140 E C 1.032 177.787 176.600 0.257 0.000 0.968 1140 E CA 1.139 57.646 56.400 0.177 0.000 0.939 1140 E CB 0.516 30.290 29.700 0.122 0.000 0.921 1140 E HN 1.414 nan 8.360 nan 0.000 0.477 1141 G N 2.859 111.739 108.800 0.133 0.000 2.160 1141 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 1141 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 1141 G C -0.538 174.193 174.900 -0.280 0.000 1.022 1141 G CA 0.311 45.374 45.100 -0.062 0.000 0.741 1141 G HN 0.445 nan 8.290 nan 0.000 0.508 1142 Y N -1.304 119.061 120.300 0.107 0.000 2.638 1142 Y HA 0.725 5.275 4.550 -0.000 0.000 0.335 1142 Y C 0.143 176.137 175.900 0.156 0.000 1.155 1142 Y CA -0.439 57.746 58.100 0.143 0.000 1.046 1142 Y CB 1.906 40.456 38.460 0.151 0.000 1.303 1142 Y HN 0.967 nan 8.280 nan 0.000 0.460 1143 A N 2.029 125.063 122.820 0.356 0.000 2.582 1143 A HA 0.735 5.055 4.320 -0.000 0.000 0.297 1143 A C -3.195 174.483 177.584 0.157 0.000 1.059 1143 A CA -1.397 50.763 52.037 0.205 0.000 0.705 1143 A CB 1.695 20.787 19.000 0.153 0.000 1.279 1143 A HN 0.304 nan 8.150 nan 0.000 0.404 1144 P HA 0.762 nan 4.420 nan 0.000 0.293 1144 P C -1.098 176.119 177.300 -0.139 0.000 1.304 1144 P CA -0.221 62.397 63.100 -0.804 0.000 0.767 1144 P CB 0.629 31.585 31.700 -1.239 0.000 1.247 1145 W N -1.960 119.233 121.300 -0.180 0.000 3.146 1145 W HA 0.441 5.101 4.660 -0.000 0.000 0.319 1145 W C -1.608 175.117 176.519 0.343 0.000 1.258 1145 W CA -1.245 56.172 57.345 0.119 0.000 1.189 1145 W CB -0.095 29.447 29.460 0.136 0.000 1.412 1145 W HN 0.188 nan 8.180 nan 0.000 0.567 1146 L N 3.078 124.596 121.223 0.492 0.000 2.578 1146 L HA 0.445 4.785 4.340 -0.000 0.000 0.279 1146 L C -0.761 176.376 176.870 0.445 0.000 1.227 1146 L CA 0.219 55.299 54.840 0.400 0.000 0.900 1146 L CB 0.152 42.378 42.059 0.277 0.000 1.144 1146 L HN 0.477 nan 8.230 nan 0.000 0.496 1147 V N 4.866 124.995 119.914 0.358 0.000 2.760 1147 V HA 0.717 4.837 4.120 -0.000 0.000 0.309 1147 V C -0.257 175.837 176.094 0.000 0.000 1.077 1147 V CA -0.511 61.942 62.300 0.255 0.000 0.910 1147 V CB 1.883 33.872 31.823 0.276 0.000 1.008 1147 V HN 0.977 nan 8.190 nan 0.000 0.424 1148 S N 1.800 117.380 115.700 -0.201 0.000 2.550 1148 S HA 0.962 5.432 4.470 -0.000 0.000 0.270 1148 S C -0.330 173.897 174.600 -0.622 0.000 1.145 1148 S CA 0.393 58.228 58.200 -0.608 0.000 0.852 1148 S CB 1.966 64.728 63.200 -0.731 0.000 1.119 1148 S HN 1.686 nan 8.310 nan 0.000 0.465 1149 G N 2.855 111.093 108.800 -0.937 0.000 2.356 1149 G HA2 0.283 4.243 3.960 -0.000 0.000 0.281 1149 G HA3 0.283 4.243 3.960 -0.000 0.000 0.281 1149 G C -2.063 172.719 174.900 -0.197 0.000 1.246 1149 G CA -0.556 44.290 45.100 -0.423 0.000 0.889 1149 G HN 0.738 nan 8.290 nan 0.000 0.486 1150 N N -0.326 118.455 118.700 0.135 0.000 2.240 1150 N HA 0.548 5.288 4.740 -0.000 0.000 0.302 1150 N C 1.189 176.873 175.510 0.289 0.000 1.106 1150 N CA 0.187 53.378 53.050 0.234 0.000 0.778 1150 N CB 2.273 40.820 38.487 0.100 0.000 1.431 1150 N HN 0.794 nan 8.380 nan 0.000 0.479 1151 A N 1.903 124.892 122.820 0.282 0.000 1.908 1151 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 1151 A C 2.094 179.688 177.584 0.017 0.000 1.181 1151 A CA 2.551 54.637 52.037 0.081 0.000 0.627 1151 A CB -1.015 18.110 19.000 0.207 0.000 0.818 1151 A HN 0.846 nan 8.150 nan 0.000 0.445 1152 S N 1.492 117.229 115.700 0.061 0.000 2.378 1152 S HA -0.303 4.167 4.470 -0.000 0.000 0.229 1152 S C 1.463 176.069 174.600 0.011 0.000 1.052 1152 S CA 1.745 59.964 58.200 0.031 0.000 1.084 1152 S CB -0.992 62.233 63.200 0.041 0.000 0.950 1152 S HN 0.833 nan 8.310 nan 0.000 0.440 1153 E N 1.160 121.377 120.200 0.028 0.000 2.485 1153 E HA 0.299 4.649 4.350 -0.000 0.000 0.194 1153 E C 0.229 176.826 176.600 -0.005 0.000 1.098 1153 E CA -0.169 56.242 56.400 0.019 0.000 0.878 1153 E CB -0.389 29.335 29.700 0.039 0.000 0.939 1153 E HN 0.507 nan 8.360 nan 0.000 0.503 1154 L N 2.587 123.778 121.223 -0.053 0.000 2.399 1154 L HA 0.153 4.493 4.340 -0.000 0.000 0.265 1154 L C 1.183 177.987 176.870 -0.110 0.000 1.089 1154 L CA -1.131 53.636 54.840 -0.121 0.000 0.802 1154 L CB 0.945 42.831 42.059 -0.288 0.000 1.180 1154 L HN 0.239 nan 8.230 nan 0.000 0.454 1155 E N 1.898 122.031 120.200 -0.113 0.000 2.478 1155 E HA -0.160 4.190 4.350 -0.000 0.000 0.262 1155 E C -0.284 176.254 176.600 -0.103 0.000 1.243 1155 E CA -0.195 56.151 56.400 -0.090 0.000 1.039 1155 E CB 0.555 30.203 29.700 -0.085 0.000 0.983 1155 E HN 0.400 nan 8.360 nan 0.000 0.479 1156 R N 0.769 121.220 120.500 -0.081 0.000 2.776 1156 R HA 0.334 4.674 4.340 -0.000 0.000 0.391 1156 R C -0.166 176.086 176.300 -0.080 0.000 1.116 1156 R CA -0.333 55.717 56.100 -0.083 0.000 1.056 1156 R CB -0.913 29.351 30.300 -0.061 0.000 1.369 1156 R HN 0.582 nan 8.270 nan 0.000 0.590 1166 I N 4.640 125.032 120.570 -0.295 0.000 2.627 1166 I HA 0.425 4.595 4.170 -0.000 0.000 0.288 1166 I C -1.449 174.543 176.117 -0.208 0.000 1.202 1166 I CA -0.484 60.699 61.300 -0.196 0.000 1.050 1166 I CB 2.121 40.034 38.000 -0.144 0.000 1.264 1166 I HN 0.506 nan 8.210 nan 0.000 0.429 1167 L N 7.652 128.777 121.223 -0.164 0.000 2.322 1167 L HA 0.682 5.022 4.340 -0.000 0.000 0.279 1167 L C -1.329 175.462 176.870 -0.132 0.000 1.036 1167 L CA -0.118 54.638 54.840 -0.140 0.000 0.807 1167 L CB 1.367 43.363 42.059 -0.104 0.000 1.226 1167 L HN 0.428 nan 8.230 nan 0.000 0.433 1168 L N 3.796 124.936 121.223 -0.139 0.000 2.365 1168 L HA 0.523 4.863 4.340 -0.000 0.000 0.273 1168 L C -1.286 175.458 176.870 -0.211 0.000 1.000 1168 L CA -0.842 53.862 54.840 -0.227 0.000 0.819 1168 L CB 2.012 43.861 42.059 -0.349 0.000 1.284 1168 L HN 0.515 nan 8.230 nan 0.000 0.418 1169 D N 2.070 122.302 120.400 -0.278 0.000 2.381 1169 D HA 0.273 4.913 4.640 -0.000 0.000 0.235 1169 D C 0.355 176.388 176.300 -0.446 0.000 1.068 1169 D CA -0.270 53.540 54.000 -0.317 0.000 0.832 1169 D CB 1.720 42.412 40.800 -0.180 0.000 1.101 1169 D HN 0.258 nan 8.370 nan 0.000 0.515 1170 F N 0.824 120.446 119.950 -0.547 0.000 2.416 1170 F HA 0.060 4.587 4.527 -0.000 0.000 0.296 1170 F C 0.668 176.233 175.800 -0.392 0.000 1.099 1170 F CA 0.558 58.233 58.000 -0.541 0.000 1.427 1170 F CB 0.303 38.929 39.000 -0.622 0.000 1.079 1170 F HN 0.177 nan 8.300 nan 0.000 0.536 1171 L N -1.102 119.936 121.223 -0.308 0.000 2.301 1171 L HA 0.475 4.815 4.340 -0.000 0.000 0.264 1171 L C -2.281 174.215 176.870 -0.624 0.000 1.016 1171 L CA -2.649 51.880 54.840 -0.517 0.000 0.821 1171 L CB 0.597 42.243 42.059 -0.689 0.000 1.346 1171 L HN -0.343 nan 8.230 nan 0.000 0.429 1172 P HA 0.174 nan 4.420 nan 0.000 0.272 1172 P C -0.138 176.855 177.300 -0.511 0.000 1.223 1172 P CA -0.246 62.475 63.100 -0.633 0.000 0.784 1172 P CB 0.566 31.864 31.700 -0.669 0.000 0.923 1173 K N 0.241 120.521 120.400 -0.199 0.000 2.400 1173 K HA 0.065 4.385 4.320 -0.000 0.000 0.194 1173 K C 0.208 176.812 176.600 0.007 0.000 1.033 1173 K CA 0.431 56.663 56.287 -0.092 0.000 1.021 1173 K CB -0.079 32.397 32.500 -0.039 0.000 0.808 1173 K HN 0.468 nan 8.250 nan 0.000 0.505 1174 E N 1.274 121.527 120.200 0.088 0.000 2.481 1174 E HA -0.075 4.275 4.350 -0.000 0.000 0.263 1174 E C 1.217 177.920 176.600 0.172 0.000 0.992 1174 E CA 0.092 56.619 56.400 0.211 0.000 0.938 1174 E CB 0.275 30.226 29.700 0.419 0.000 0.933 1174 E HN 0.010 nan 8.360 nan 0.000 0.453 1175 L N 1.813 123.048 121.223 0.020 0.000 2.351 1175 L HA -0.173 4.167 4.340 -0.000 0.000 0.220 1175 L C 2.011 178.823 176.870 -0.096 0.000 1.127 1175 L CA 1.148 55.855 54.840 -0.221 0.000 0.786 1175 L CB -0.628 40.949 42.059 -0.803 0.000 0.914 1175 L HN 0.732 nan 8.230 nan 0.000 0.443 1176 G N 0.159 109.072 108.800 0.188 0.000 2.450 1176 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.220 1176 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.220 1176 G C 0.492 175.388 174.900 -0.007 0.000 1.130 1176 G CA 0.151 45.385 45.100 0.225 0.000 0.760 1176 G HN 0.180 nan 8.290 nan 0.000 0.557 1177 F N 0.931 120.855 119.950 -0.043 0.000 2.394 1177 F HA 0.320 4.847 4.527 -0.000 0.000 0.340 1177 F C 0.693 176.489 175.800 -0.007 0.000 1.105 1177 F CA -0.891 57.066 58.000 -0.072 0.000 1.124 1177 F CB 1.754 40.587 39.000 -0.278 0.000 1.145 1177 F HN 0.099 nan 8.300 nan 0.000 0.505 1178 D N 2.183 122.703 120.400 0.199 0.000 2.462 1178 D HA 0.186 4.826 4.640 -0.000 0.000 0.221 1178 D C -0.273 176.084 176.300 0.095 0.000 1.173 1178 D CA 0.091 54.137 54.000 0.076 0.000 0.831 1178 D CB 0.023 40.784 40.800 -0.065 0.000 1.001 1178 D HN 0.567 nan 8.370 nan 0.000 0.499 1179 M N -2.465 117.203 119.600 0.113 0.000 3.084 1179 M HA 0.502 4.982 4.480 -0.000 0.000 0.273 1179 M C -2.014 174.246 176.300 -0.067 0.000 1.242 1179 M CA -0.933 54.391 55.300 0.041 0.000 0.819 1179 M CB 2.184 34.835 32.600 0.086 0.000 1.625 1179 M HN -0.175 nan 8.290 nan 0.000 0.493 1180 N N -0.300 118.283 118.700 -0.196 0.000 2.745 1180 N HA 0.637 5.377 4.740 -0.000 0.000 0.256 1180 N C -2.009 173.128 175.510 -0.621 0.000 1.268 1180 N CA -0.737 52.074 53.050 -0.398 0.000 0.887 1180 N CB 1.909 40.187 38.487 -0.350 0.000 1.575 1180 N HN 0.669 nan 8.380 nan 0.000 0.496 1181 M N 2.166 121.250 119.600 -0.861 0.000 2.456 1181 M HA 0.401 4.881 4.480 -0.000 0.000 0.324 1181 M C -1.179 174.572 176.300 -0.914 0.000 1.124 1181 M CA -0.281 54.423 55.300 -0.995 0.000 0.959 1181 M CB 1.049 32.733 32.600 -1.527 0.000 1.692 1181 M HN 0.647 nan 8.290 nan 0.000 0.444 1182 H N 1.210 119.842 119.070 -0.730 0.000 2.865 1182 H HA 0.719 5.275 4.556 -0.000 0.000 0.372 1182 H C -1.038 174.012 175.328 -0.464 0.000 1.173 1182 H CA -0.552 55.156 56.048 -0.566 0.000 1.147 1182 H CB 2.439 31.668 29.762 -0.889 0.000 1.805 1182 H HN 0.573 nan 8.280 nan 0.000 0.553 1183 I N 2.199 122.709 120.570 -0.100 0.000 2.466 1183 I HA 0.246 4.416 4.170 -0.000 0.000 0.289 1183 I C -1.075 174.900 176.117 -0.237 0.000 1.026 1183 I CA -0.495 60.710 61.300 -0.158 0.000 1.078 1183 I CB 1.679 39.662 38.000 -0.029 0.000 1.249 1183 I HN 0.220 nan 8.210 nan 0.000 0.429 1184 L N 5.095 126.051 121.223 -0.444 0.000 2.322 1184 L HA 0.515 4.855 4.340 -0.000 0.000 0.281 1184 L C -0.241 176.421 176.870 -0.346 0.000 1.014 1184 L CA -0.202 54.369 54.840 -0.448 0.000 0.815 1184 L CB 2.012 43.694 42.059 -0.628 0.000 1.247 1184 L HN 0.495 nan 8.230 nan 0.000 0.421 1185 S N 2.427 117.963 115.700 -0.274 0.000 2.526 1185 S HA 0.735 5.205 4.470 -0.000 0.000 0.293 1185 S C -1.277 173.223 174.600 -0.166 0.000 1.092 1185 S CA -0.380 57.757 58.200 -0.106 0.000 0.980 1185 S CB 0.873 64.022 63.200 -0.085 0.000 1.048 1185 S HN 0.305 nan 8.310 nan 0.000 0.483 1186 F N 2.483 122.480 119.950 0.079 0.000 2.553 1186 F HA 0.572 5.099 4.527 -0.000 0.000 0.335 1186 F C 0.556 176.455 175.800 0.166 0.000 1.148 1186 F CA -0.757 57.347 58.000 0.174 0.000 0.963 1186 F CB 1.311 40.506 39.000 0.325 0.000 1.217 1186 F HN 0.702 nan 8.300 nan 0.000 0.441 1187 A N 4.901 127.863 122.820 0.237 0.000 2.466 1187 A HA 0.388 4.707 4.320 -0.000 0.000 0.238 1187 A C -1.556 176.147 177.584 0.199 0.000 1.074 1187 A CA -0.858 51.283 52.037 0.175 0.000 0.774 1187 A CB 0.053 19.116 19.000 0.105 0.000 1.015 1187 A HN 0.591 nan 8.150 nan 0.000 0.498 1188 P HA -0.170 nan 4.420 nan 0.000 0.211 1188 P C 1.466 178.834 177.300 0.113 0.000 1.181 1188 P CA 2.074 65.251 63.100 0.129 0.000 0.929 1188 P CB -0.069 31.686 31.700 0.091 0.000 0.789 1189 G N -0.840 108.009 108.800 0.081 0.000 2.959 1189 G HA2 0.107 4.067 3.960 -0.000 0.000 0.203 1189 G HA3 0.107 4.067 3.960 -0.000 0.000 0.203 1189 G C 0.487 175.422 174.900 0.059 0.000 1.176 1189 G CA 0.286 45.420 45.100 0.056 0.000 0.860 1189 G HN 0.498 nan 8.290 nan 0.000 0.507 1190 A N -0.331 122.557 122.820 0.112 0.000 2.520 1190 A HA 0.479 4.799 4.320 -0.000 0.000 0.235 1190 A C 1.219 178.851 177.584 0.080 0.000 1.065 1190 A CA 0.464 52.581 52.037 0.134 0.000 0.764 1190 A CB 0.456 19.635 19.000 0.299 0.000 1.002 1190 A HN 0.215 nan 8.150 nan 0.000 0.502 1191 S N 0.123 115.815 115.700 -0.014 0.000 2.701 1191 S HA 0.200 4.670 4.470 -0.000 0.000 0.242 1191 S C 0.043 174.604 174.600 -0.064 0.000 1.025 1191 S CA -0.112 58.036 58.200 -0.086 0.000 1.016 1191 S CB -0.154 62.937 63.200 -0.181 0.000 0.977 1191 S HN 0.821 nan 8.310 nan 0.000 0.546 1192 H N -0.206 118.977 119.070 0.188 0.000 2.616 1192 H HA 0.706 5.262 4.556 -0.000 0.000 0.353 1192 H C 0.404 176.003 175.328 0.452 0.000 1.170 1192 H CA -0.633 55.561 56.048 0.243 0.000 1.212 1192 H CB 1.717 31.592 29.762 0.188 0.000 1.653 1192 H HN 0.304 nan 8.280 nan 0.000 0.537 1193 G N 0.190 109.335 108.800 0.575 0.000 2.694 1193 G HA2 0.278 4.238 3.960 -0.000 0.000 0.290 1193 G HA3 0.278 4.238 3.960 -0.000 0.000 0.290 1193 G C -2.101 173.105 174.900 0.509 0.000 1.386 1193 G CA -0.687 44.717 45.100 0.507 0.000 0.872 1193 G HN 0.546 nan 8.290 nan 0.000 0.475 1194 Y N 1.324 121.768 120.300 0.240 0.000 2.310 1194 Y HA 0.703 5.253 4.550 -0.000 0.000 0.326 1194 Y C 0.058 175.941 175.900 -0.028 0.000 1.151 1194 Y CA -0.741 57.468 58.100 0.182 0.000 1.195 1194 Y CB 0.951 39.548 38.460 0.229 0.000 1.210 1194 Y HN 0.545 nan 8.280 nan 0.000 0.483 1195 I N 2.518 122.662 120.570 -0.711 0.000 2.908 1195 I HA 0.625 4.795 4.170 -0.000 0.000 0.300 1195 I C -1.560 174.128 176.117 -0.715 0.000 1.385 1195 I CA -0.906 59.999 61.300 -0.658 0.000 1.004 1195 I CB 1.841 39.667 38.000 -0.291 0.000 1.309 1195 I HN 0.862 nan 8.210 nan 0.000 0.449 1196 E N 1.625 121.521 120.200 -0.506 0.000 2.405 1196 E HA 0.470 4.819 4.350 -0.000 0.000 0.283 1196 E C -1.883 174.602 176.600 -0.192 0.000 1.140 1196 E CA -0.335 55.902 56.400 -0.272 0.000 0.904 1196 E CB 2.254 31.833 29.700 -0.202 0.000 1.209 1196 E HN 0.841 nan 8.360 nan 0.000 0.428 1197 T N 2.209 116.677 114.554 -0.143 0.000 2.876 1197 T HA 0.704 5.054 4.350 -0.000 0.000 0.289 1197 T C -1.392 173.183 174.700 -0.208 0.000 1.014 1197 T CA -0.724 61.201 62.100 -0.291 0.000 0.986 1197 T CB 0.981 69.745 68.868 -0.173 0.000 1.021 1197 T HN 0.569 nan 8.240 nan 0.000 0.458 1198 H N -1.533 117.505 119.070 -0.054 0.000 3.094 1198 H HA 0.478 5.034 4.556 -0.000 0.000 0.335 1198 H C -0.219 174.954 175.328 -0.259 0.000 1.254 1198 H CA -0.941 55.046 56.048 -0.102 0.000 1.240 1198 H CB -0.134 29.609 29.762 -0.033 0.000 1.936 1198 H HN 0.190 nan 8.280 nan 0.000 0.536 1199 V N 0.441 120.225 119.914 -0.217 0.000 2.788 1199 V HA -0.059 4.061 4.120 -0.000 0.000 0.251 1199 V C 0.303 176.208 176.094 -0.315 0.000 1.068 1199 V CA 1.236 63.172 62.300 -0.605 0.000 1.090 1199 V CB -0.659 30.875 31.823 -0.483 0.000 0.710 1199 V HN 0.749 nan 8.190 nan 0.000 0.467 1200 Q N 0.633 120.342 119.800 -0.151 0.000 2.288 1200 Q HA 0.403 4.743 4.340 -0.000 0.000 0.254 1200 Q C -0.134 175.661 176.000 -0.341 0.000 0.932 1200 Q CA -0.046 55.642 55.803 -0.192 0.000 0.902 1200 Q CB 0.440 29.056 28.738 -0.204 0.000 1.203 1200 Q HN 0.484 nan 8.270 nan 0.000 0.415 1201 E N 1.623 121.714 120.200 -0.181 0.000 2.397 1201 E HA 0.241 4.591 4.350 -0.000 0.000 0.254 1201 E C -0.393 175.980 176.600 -0.379 0.000 1.231 1201 E CA -0.181 56.152 56.400 -0.111 0.000 0.954 1201 E CB 0.467 30.382 29.700 0.359 0.000 1.024 1201 E HN 0.453 nan 8.360 nan 0.000 0.481 1202 H N -1.401 117.743 119.070 0.124 0.000 3.046 1202 H HA 0.456 5.012 4.556 -0.000 0.000 0.363 1202 H C -0.803 174.722 175.328 0.328 0.000 1.203 1202 H CA -0.837 55.292 56.048 0.135 0.000 1.169 1202 H CB 2.021 31.746 29.762 -0.063 0.000 1.851 1202 H HN 0.646 nan 8.280 nan 0.000 0.546 1203 G N 0.523 109.618 108.800 0.492 0.000 2.730 1203 G HA2 0.609 4.568 3.960 -0.000 0.000 0.291 1203 G HA3 0.609 4.568 3.960 -0.000 0.000 0.291 1203 G C -1.047 174.008 174.900 0.258 0.000 1.456 1203 G CA -0.308 45.117 45.100 0.542 0.000 0.996 1203 G HN 0.658 nan 8.290 nan 0.000 0.528 1204 A N 2.182 124.911 122.820 -0.151 0.000 2.342 1204 A HA 0.765 5.084 4.320 -0.000 0.000 0.323 1204 A C -1.742 175.742 177.584 -0.168 0.000 1.125 1204 A CA -0.761 51.213 52.037 -0.106 0.000 0.785 1204 A CB 1.635 20.481 19.000 -0.257 0.000 1.221 1204 A HN 0.952 nan 8.150 nan 0.000 0.463 1205 Y N 3.765 123.986 120.300 -0.131 0.000 2.331 1205 Y HA 0.503 5.053 4.550 -0.000 0.000 0.334 1205 Y C -0.497 175.349 175.900 -0.091 0.000 0.960 1205 Y CA -1.382 56.691 58.100 -0.046 0.000 1.130 1205 Y CB 1.003 39.379 38.460 -0.141 0.000 1.164 1205 Y HN 0.521 nan 8.280 nan 0.000 0.458 1206 I N 8.477 128.707 120.570 -0.567 0.000 2.494 1206 I HA -0.047 4.123 4.170 -0.000 0.000 0.289 1206 I C 1.050 176.893 176.117 -0.456 0.000 1.106 1206 I CA 0.565 61.621 61.300 -0.408 0.000 1.369 1206 I CB 0.390 38.209 38.000 -0.303 0.000 1.410 1206 I HN 0.909 nan 8.210 nan 0.000 0.523 1207 L N 4.743 125.863 121.223 -0.172 0.000 2.109 1207 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 1207 L C 0.991 177.873 176.870 0.019 0.000 1.086 1207 L CA 0.872 55.704 54.840 -0.012 0.000 0.760 1207 L CB -0.180 41.905 42.059 0.044 0.000 0.910 1207 L HN 0.853 nan 8.230 nan 0.000 0.437 1208 S N -2.452 113.254 115.700 0.011 0.000 2.615 1208 S HA 0.638 5.108 4.470 -0.000 0.000 0.268 1208 S C -0.211 174.475 174.600 0.144 0.000 1.146 1208 S CA -0.319 57.923 58.200 0.070 0.000 0.818 1208 S CB 1.376 64.628 63.200 0.086 0.000 1.111 1208 S HN 0.454 nan 8.310 nan 0.000 0.465 1209 G N 0.455 109.349 108.800 0.157 0.000 2.593 1209 G HA2 0.125 4.085 3.960 -0.000 0.000 0.237 1209 G HA3 0.125 4.085 3.960 -0.000 0.000 0.237 1209 G C -0.578 174.447 174.900 0.208 0.000 1.312 1209 G CA 0.338 45.567 45.100 0.215 0.000 0.896 1209 G HN 1.545 nan 8.290 nan 0.000 0.574 1210 Q N -0.638 119.259 119.800 0.162 0.000 2.386 1210 Q HA 0.592 4.932 4.340 -0.000 0.000 0.274 1210 Q C -0.183 175.502 176.000 -0.525 0.000 1.011 1210 Q CA 0.071 55.833 55.803 -0.069 0.000 0.867 1210 Q CB 1.345 30.043 28.738 -0.066 0.000 1.409 1210 Q HN 2.127 nan 8.270 nan 0.000 0.395 1211 G N 0.670 108.940 108.800 -0.884 0.000 2.782 1211 G HA2 0.660 4.620 3.960 -0.000 0.000 0.304 1211 G HA3 0.660 4.620 3.960 -0.000 0.000 0.304 1211 G C -1.695 172.711 174.900 -0.825 0.000 1.315 1211 G CA -0.391 43.906 45.100 -1.338 0.000 0.791 1211 G HN 0.473 nan 8.290 nan 0.000 0.519 1212 V N 0.196 119.569 119.914 -0.902 0.000 2.638 1212 V HA 0.542 4.662 4.120 -0.000 0.000 0.306 1212 V C -1.407 174.618 176.094 -0.115 0.000 1.052 1212 V CA -0.685 61.361 62.300 -0.423 0.000 0.885 1212 V CB 1.456 33.030 31.823 -0.416 0.000 0.999 1212 V HN 0.644 nan 8.190 nan 0.000 0.424 1213 Y N 2.720 122.941 120.300 -0.131 0.000 2.496 1213 Y HA 0.534 5.084 4.550 -0.000 0.000 0.331 1213 Y C 0.365 176.121 175.900 -0.240 0.000 1.140 1213 Y CA -0.985 57.031 58.100 -0.141 0.000 1.166 1213 Y CB 1.968 40.324 38.460 -0.174 0.000 1.249 1213 Y HN 0.719 nan 8.280 nan 0.000 0.479 1214 N N 2.797 121.237 118.700 -0.432 0.000 2.746 1214 N HA 0.270 5.010 4.740 -0.000 0.000 0.250 1214 N C -0.635 174.545 175.510 -0.550 0.000 1.146 1214 N CA -0.207 52.398 53.050 -0.743 0.000 0.828 1214 N CB 0.292 38.042 38.487 -1.228 0.000 1.158 1214 N HN 0.416 nan 8.380 nan 0.000 0.519 1215 L N 0.472 121.377 121.223 -0.530 0.000 1.946 1215 L HA 0.210 4.550 4.340 -0.000 0.000 0.213 1215 L C 0.326 176.829 176.870 -0.612 0.000 1.149 1215 L CA 1.092 55.505 54.840 -0.711 0.000 0.910 1215 L CB -0.888 40.261 42.059 -1.517 0.000 0.939 1215 L HN 0.488 nan 8.230 nan 0.000 0.501 1216 D N 0.999 121.008 120.400 -0.651 0.000 2.845 1216 D HA 0.136 4.776 4.640 -0.000 0.000 0.235 1216 D C 0.383 176.562 176.300 -0.202 0.000 1.158 1216 D CA 0.105 53.952 54.000 -0.256 0.000 0.990 1216 D CB -0.734 40.090 40.800 0.041 0.000 1.094 1216 D HN 0.335 nan 8.370 nan 0.000 0.486 1217 N N 0.486 119.015 118.700 -0.285 0.000 2.815 1217 N HA -0.189 4.551 4.740 -0.000 0.000 0.247 1217 N C -0.460 174.877 175.510 -0.288 0.000 1.030 1217 N CA 0.444 53.332 53.050 -0.270 0.000 0.881 1217 N CB -0.426 37.977 38.487 -0.139 0.000 1.134 1217 N HN 0.318 nan 8.380 nan 0.000 0.582 1218 N N -0.118 118.397 118.700 -0.309 0.000 2.314 1218 N HA 0.232 4.972 4.740 -0.000 0.000 0.294 1218 N C -0.754 174.596 175.510 -0.266 0.000 1.029 1218 N CA -0.255 52.681 53.050 -0.190 0.000 0.845 1218 N CB 0.680 39.148 38.487 -0.031 0.000 1.321 1218 N HN 0.122 nan 8.380 nan 0.000 0.481 1219 W N 2.198 123.481 121.300 -0.028 0.000 2.266 1219 W HA 0.387 5.046 4.660 -0.000 0.000 0.317 1219 W C 0.245 176.752 176.519 -0.020 0.000 1.310 1219 W CA -0.327 57.001 57.345 -0.028 0.000 1.207 1219 W CB 0.596 30.050 29.460 -0.011 0.000 1.199 1219 W HN 0.159 nan 8.180 nan 0.000 0.544 1220 I N 5.773 126.446 120.570 0.172 0.000 2.468 1220 I HA 0.185 4.355 4.170 -0.000 0.000 0.285 1220 I C -2.124 174.030 176.117 0.062 0.000 1.039 1220 I CA -2.807 58.554 61.300 0.101 0.000 1.074 1220 I CB 1.596 39.635 38.000 0.066 0.000 1.228 1220 I HN 0.103 nan 8.210 nan 0.000 0.436 1221 P HA 0.157 nan 4.420 nan 0.000 0.268 1221 P C -0.507 176.761 177.300 -0.053 0.000 1.204 1221 P CA 0.092 63.170 63.100 -0.037 0.000 0.768 1221 P CB 1.474 33.156 31.700 -0.031 0.000 0.842 1222 V N 4.363 124.214 119.914 -0.106 0.000 2.864 1222 V HA 0.607 4.727 4.120 -0.000 0.000 0.314 1222 V C 0.381 176.434 176.094 -0.068 0.000 1.073 1222 V CA -0.428 61.814 62.300 -0.096 0.000 0.956 1222 V CB 2.132 33.878 31.823 -0.129 0.000 1.023 1222 V HN 0.731 nan 8.190 nan 0.000 0.435 1223 K N 1.748 122.126 120.400 -0.036 0.000 2.578 1223 K HA 0.510 4.830 4.320 -0.000 0.000 0.287 1223 K C -0.965 175.614 176.600 -0.034 0.000 1.010 1223 K CA -1.133 55.154 56.287 0.000 0.000 0.889 1223 K CB 1.987 34.478 32.500 -0.015 0.000 1.514 1223 K HN 0.404 nan 8.250 nan 0.000 0.424 1224 K N 0.184 120.577 120.400 -0.012 0.000 2.511 1224 K HA -0.016 4.304 4.320 -0.000 0.000 0.277 1224 K C 0.730 177.259 176.600 -0.118 0.000 1.025 1224 K CA 2.158 58.401 56.287 -0.074 0.000 1.112 1224 K CB -0.520 31.981 32.500 0.001 0.000 0.859 1224 K HN 0.876 nan 8.250 nan 0.000 0.485 1225 G N 3.009 111.628 108.800 -0.301 0.000 2.254 1225 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.225 1225 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.225 1225 G C -0.364 174.450 174.900 -0.143 0.000 1.003 1225 G CA 0.128 45.127 45.100 -0.168 0.000 0.622 1225 G HN 0.710 nan 8.290 nan 0.000 0.507 1226 D N -0.300 119.983 120.400 -0.195 0.000 2.344 1226 D HA 0.579 5.219 4.640 -0.000 0.000 0.244 1226 D C -0.297 175.982 176.300 -0.036 0.000 1.134 1226 D CA 0.220 54.177 54.000 -0.073 0.000 0.930 1226 D CB 0.945 41.683 40.800 -0.104 0.000 1.175 1226 D HN 0.278 nan 8.370 nan 0.000 0.437 1227 Y N 0.537 120.839 120.300 0.004 0.000 2.462 1227 Y HA 0.549 5.099 4.550 -0.000 0.000 0.346 1227 Y C -1.226 174.706 175.900 0.055 0.000 0.976 1227 Y CA -0.823 57.336 58.100 0.098 0.000 1.044 1227 Y CB 1.005 39.615 38.460 0.250 0.000 1.230 1227 Y HN 0.248 nan 8.280 nan 0.000 0.455 1228 I N 6.852 126.936 120.570 -0.809 0.000 2.499 1228 I HA 0.295 4.465 4.170 -0.000 0.000 0.288 1228 I C -1.515 174.352 176.117 -0.416 0.000 1.048 1228 I CA -0.788 60.236 61.300 -0.461 0.000 1.062 1228 I CB 2.079 39.815 38.000 -0.441 0.000 1.238 1228 I HN 0.619 nan 8.210 nan 0.000 0.426 1229 F N 7.367 127.238 119.950 -0.132 0.000 2.361 1229 F HA 0.577 5.104 4.527 -0.000 0.000 0.364 1229 F C -0.499 175.415 175.800 0.191 0.000 1.120 1229 F CA -0.640 57.412 58.000 0.087 0.000 1.102 1229 F CB 0.867 39.982 39.000 0.192 0.000 1.183 1229 F HN 0.347 nan 8.300 nan 0.000 0.476 1230 M N 6.696 126.063 119.600 -0.388 0.000 2.055 1230 M HA 0.322 4.802 4.480 -0.000 0.000 0.347 1230 M C 0.667 176.612 176.300 -0.592 0.000 1.123 1230 M CA -0.408 54.735 55.300 -0.261 0.000 1.035 1230 M CB 0.913 33.579 32.600 0.110 0.000 1.484 1230 M HN 0.747 nan 8.290 nan 0.000 0.428 1231 G N 2.055 110.456 108.800 -0.665 0.000 2.684 1231 G HA2 0.520 4.479 3.960 -0.000 0.000 0.255 1231 G HA3 0.520 4.479 3.960 -0.000 0.000 0.255 1231 G C -0.259 174.619 174.900 -0.037 0.000 1.219 1231 G CA -0.701 44.147 45.100 -0.420 0.000 0.901 1231 G HN 0.847 nan 8.290 nan 0.000 0.548 1232 A N -0.856 122.002 122.820 0.064 0.000 2.488 1232 A HA 0.503 4.823 4.320 -0.000 0.000 0.249 1232 A C -0.506 177.165 177.584 0.144 0.000 1.083 1232 A CA -0.045 52.014 52.037 0.036 0.000 0.768 1232 A CB -0.618 18.411 19.000 0.047 0.000 1.017 1232 A HN 1.282 nan 8.150 nan 0.000 0.496 1233 Y N 0.305 120.607 120.300 0.004 0.000 3.165 1233 Y HA -0.188 4.362 4.550 -0.000 0.000 0.187 1233 Y C 0.726 176.557 175.900 -0.116 0.000 1.678 1233 Y CA 0.882 58.943 58.100 -0.064 0.000 1.249 1233 Y CB -2.262 36.184 38.460 -0.022 0.000 1.499 1233 Y HN 1.163 nan 8.280 nan 0.000 0.461 1234 S N -0.650 114.956 115.700 -0.157 0.000 2.595 1234 S HA 0.869 5.339 4.470 -0.000 0.000 0.281 1234 S C -1.107 173.279 174.600 -0.357 0.000 1.117 1234 S CA -1.126 56.972 58.200 -0.170 0.000 0.873 1234 S CB 2.752 65.913 63.200 -0.065 0.000 1.108 1234 S HN 0.573 nan 8.310 nan 0.000 0.477 1235 L N 2.083 123.157 121.223 -0.248 0.000 2.305 1235 L HA 0.600 4.940 4.340 -0.000 0.000 0.284 1235 L C -0.695 176.020 176.870 -0.259 0.000 1.013 1235 L CA -0.119 54.558 54.840 -0.270 0.000 0.819 1235 L CB 1.231 43.158 42.059 -0.220 0.000 1.227 1235 L HN 0.770 nan 8.230 nan 0.000 0.417 1236 Q N 3.997 123.647 119.800 -0.249 0.000 2.240 1236 Q HA 0.940 5.280 4.340 -0.000 0.000 0.260 1236 Q C -1.006 174.729 176.000 -0.442 0.000 1.018 1236 Q CA -0.753 54.892 55.803 -0.262 0.000 0.898 1236 Q CB 2.061 30.784 28.738 -0.024 0.000 1.301 1236 Q HN 0.872 nan 8.270 nan 0.000 0.469 1237 A N -0.654 121.829 122.820 -0.561 0.000 2.580 1237 A HA 0.704 5.023 4.320 -0.000 0.000 0.301 1237 A C -0.928 176.265 177.584 -0.652 0.000 1.054 1237 A CA 0.051 51.777 52.037 -0.518 0.000 0.751 1237 A CB 1.336 20.102 19.000 -0.391 0.000 1.275 1237 A HN 0.826 nan 8.150 nan 0.000 0.403 1238 G N -0.161 108.422 108.800 -0.362 0.000 2.576 1238 G HA2 0.858 4.818 3.960 -0.000 0.000 0.290 1238 G HA3 0.858 4.818 3.960 -0.000 0.000 0.290 1238 G C -1.453 173.435 174.900 -0.019 0.000 1.442 1238 G CA 0.216 45.140 45.100 -0.294 0.000 0.792 1238 G HN 2.219 nan 8.290 nan 0.000 0.491 1239 Y N -1.552 118.644 120.300 -0.174 0.000 2.558 1239 Y HA 0.758 5.308 4.550 -0.000 0.000 0.333 1239 Y C 0.355 175.990 175.900 -0.442 0.000 1.125 1239 Y CA -1.072 56.857 58.100 -0.285 0.000 1.039 1239 Y CB 0.774 39.178 38.460 -0.093 0.000 1.331 1239 Y HN 1.059 nan 8.280 nan 0.000 0.456 1240 G N 1.016 109.723 108.800 -0.155 0.000 2.699 1240 G HA2 0.479 4.439 3.960 -0.000 0.000 0.246 1240 G HA3 0.479 4.439 3.960 -0.000 0.000 0.246 1240 G C -0.898 173.975 174.900 -0.045 0.000 1.219 1240 G CA 0.263 45.296 45.100 -0.112 0.000 0.866 1240 G HN 1.408 nan 8.290 nan 0.000 0.572 1247 F N 3.995 124.041 119.950 0.159 0.000 2.490 1247 F HA 0.513 5.040 4.527 -0.000 0.000 0.357 1247 F C 0.659 176.613 175.800 0.257 0.000 1.166 1247 F CA 0.406 58.504 58.000 0.163 0.000 1.116 1247 F CB 0.295 39.360 39.000 0.109 0.000 1.171 1247 F HN 0.752 nan 8.300 nan 0.000 0.576 1248 S N 6.688 122.305 115.700 -0.138 0.000 2.536 1248 S HA 0.771 5.241 4.470 -0.000 0.000 0.287 1248 S C -1.296 173.174 174.600 -0.215 0.000 1.101 1248 S CA -0.638 57.441 58.200 -0.202 0.000 0.950 1248 S CB 1.729 64.887 63.200 -0.070 0.000 1.056 1248 S HN 0.681 nan 8.310 nan 0.000 0.481 1249 Y N 0.770 120.863 120.300 -0.344 0.000 2.562 1249 Y HA 0.771 5.321 4.550 -0.000 0.000 0.345 1249 Y C -1.080 174.706 175.900 -0.190 0.000 1.045 1249 Y CA -1.499 56.418 58.100 -0.305 0.000 1.028 1249 Y CB 0.961 39.176 38.460 -0.409 0.000 1.297 1249 Y HN 0.849 nan 8.280 nan 0.000 0.463 1250 I N 4.397 124.915 120.570 -0.088 0.000 2.498 1250 I HA 0.613 4.783 4.170 -0.000 0.000 0.301 1250 I C -1.567 174.520 176.117 -0.050 0.000 0.984 1250 I CA -1.019 60.134 61.300 -0.244 0.000 1.204 1250 I CB 1.388 39.042 38.000 -0.576 0.000 1.362 1250 I HN 0.836 nan 8.210 nan 0.000 0.471 1251 Y N 3.823 123.980 120.300 -0.239 0.000 2.558 1251 Y HA 0.592 5.142 4.550 -0.000 0.000 0.333 1251 Y C -0.895 174.903 175.900 -0.169 0.000 1.125 1251 Y CA -1.037 56.982 58.100 -0.135 0.000 1.039 1251 Y CB 0.342 38.783 38.460 -0.032 0.000 1.331 1251 Y HN 0.580 nan 8.280 nan 0.000 0.456 1252 S N 2.505 118.162 115.700 -0.072 0.000 2.669 1252 S HA 0.720 5.190 4.470 -0.000 0.000 0.270 1252 S C -0.780 173.860 174.600 0.067 0.000 1.225 1252 S CA -0.663 57.360 58.200 -0.296 0.000 0.991 1252 S CB 1.723 64.565 63.200 -0.596 0.000 0.987 1252 S HN 0.989 nan 8.310 nan 0.000 0.552 1253 K N 0.903 121.280 120.400 -0.038 0.000 2.578 1253 K HA 0.104 4.424 4.320 -0.000 0.000 0.263 1253 K C -2.009 174.606 176.600 0.025 0.000 0.973 1253 K CA -0.494 55.866 56.287 0.122 0.000 0.909 1253 K CB 1.070 33.751 32.500 0.303 0.000 1.326 1253 K HN 0.912 nan 8.250 nan 0.000 0.440 1254 D N 3.094 123.513 120.400 0.032 0.000 2.313 1254 D HA 0.444 5.084 4.640 -0.000 0.000 0.247 1254 D C 0.303 176.622 176.300 0.032 0.000 1.094 1254 D CA -0.191 53.838 54.000 0.049 0.000 0.925 1254 D CB 1.359 42.206 40.800 0.079 0.000 1.188 1254 D HN 0.803 nan 8.370 nan 0.000 0.430 1255 C N -1.223 118.094 119.300 0.028 0.000 3.284 1255 C HA 0.449 4.909 4.460 -0.000 0.000 0.348 1255 C C -0.203 174.788 174.990 0.001 0.000 1.448 1255 C CA -0.956 58.072 59.018 0.016 0.000 1.223 1255 C CB 0.567 28.323 27.740 0.027 0.000 1.588 1255 C HN 0.756 nan 8.230 nan 0.000 0.451 1256 N N 0.302 118.996 118.700 -0.009 0.000 2.708 1256 N HA -0.157 4.583 4.740 -0.000 0.000 0.251 1256 N C -0.548 174.930 175.510 -0.054 0.000 1.123 1256 N CA 1.405 54.435 53.050 -0.033 0.000 0.739 1256 N CB -0.842 37.622 38.487 -0.038 0.000 1.113 1256 N HN 0.791 nan 8.380 nan 0.000 0.561 1257 R N 0.181 120.657 120.500 -0.040 0.000 2.744 1257 R HA 0.353 4.692 4.340 -0.000 0.000 0.279 1257 R C -0.190 176.094 176.300 -0.028 0.000 0.977 1257 R CA -0.724 55.346 56.100 -0.048 0.000 0.906 1257 R CB 1.726 31.990 30.300 -0.060 0.000 1.197 1257 R HN -0.001 nan 8.270 nan 0.000 0.463 1258 D N 0.230 120.615 120.400 -0.025 0.000 2.411 1258 D HA 0.201 4.841 4.640 -0.000 0.000 0.251 1258 D C -0.639 175.659 176.300 -0.004 0.000 1.201 1258 D CA -0.343 53.652 54.000 -0.009 0.000 0.996 1258 D CB 1.196 41.993 40.800 -0.005 0.000 1.101 1258 D HN 0.060 nan 8.370 nan 0.000 0.504 1259 V N 2.792 122.712 119.914 0.009 0.000 2.350 1259 V HA 0.190 4.310 4.120 -0.000 0.000 0.276 1259 V C 0.192 176.296 176.094 0.017 0.000 1.028 1259 V CA -0.703 61.607 62.300 0.017 0.000 0.860 1259 V CB 1.204 33.047 31.823 0.032 0.000 0.990 1259 V HN 0.447 nan 8.190 nan 0.000 0.453 1260 E N 3.896 124.104 120.200 0.013 0.000 2.373 1260 E HA 0.459 4.809 4.350 -0.000 0.000 0.263 1260 E C -0.183 176.429 176.600 0.019 0.000 1.073 1260 E CA -0.078 56.329 56.400 0.013 0.000 0.894 1260 E CB 2.321 32.025 29.700 0.007 0.000 1.008 1260 E HN 0.650 nan 8.360 nan 0.000 0.420 1261 I N 0.000 120.581 120.570 0.018 0.000 2.984 1261 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1261 I CA 0.000 61.312 61.300 0.020 0.000 1.566 1261 I CB 0.000 38.012 38.000 0.020 0.000 1.214 1261 I HN 0.000 nan 8.210 nan 0.000 0.494