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 1c0p_1_A DATA FIRST_RESID 999 DATA SEQUENCE LMMHSQKRVV VLGSGVIGLS SALILARKGY SVHILARDLP EDVSSQTFAS DATA SEQUENCE PWAGANWTPF MTLTDGPRQA KWEESTFKKW VELVPTGHAM WLKGTRRFAQ DATA SEQUENCE NEDGLLGHWY KDITPNYRPL PSSECPPGAI GVTYDTLSVH APKYCQYLAR DATA SEQUENCE ELQKLGATFE RRTVTSLEQA FDGADLVVNA TGLGAKSIAG IDDQAAEPIR DATA SEQUENCE GQTVLVKSPC KRCTMDSSDP ASPAYIIPRP GGEVICGGTY GVGDWDLSVN DATA SEQUENCE PETVQRILKH CLRLDPTISS DGTIEGIEVL RHNVGLRPAR RGGPRVEAER DATA SEQUENCE IVLPLDRTKS PLSLGRGSAR AAKEKEVTLV HAYGFSSAGY QQSWGAAEDV DATA SEQUENCE AQLVDEAFQR YHG 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 999 L HA 0.000 nan 4.340 nan 0.000 0.249 999 L C 0.000 176.845 176.870 -0.042 0.000 1.165 999 L CA 0.000 54.845 54.840 0.008 0.000 0.813 999 L CB 0.000 42.063 42.059 0.007 0.000 0.961 1000 M N 2.406 121.946 119.600 -0.100 0.000 2.444 1000 M HA 0.465 4.945 4.480 0.000 0.000 0.319 1000 M C 0.373 176.429 176.300 -0.407 0.000 1.183 1000 M CA -0.260 54.880 55.300 -0.266 0.000 1.032 1000 M CB 2.042 34.429 32.600 -0.356 0.000 1.569 1000 M HN 0.493 nan 8.290 nan 0.000 0.468 1001 M N 3.458 122.872 119.600 -0.309 0.000 2.220 1001 M HA 0.146 4.626 4.480 0.000 0.000 0.343 1001 M C -1.004 175.111 176.300 -0.309 0.000 1.470 1001 M CA 0.139 55.303 55.300 -0.226 0.000 1.161 1001 M CB 0.008 32.540 32.600 -0.113 0.000 1.737 1001 M HN 0.537 nan 8.290 nan 0.000 0.464 1002 H N 2.003 121.073 119.070 0.000 0.000 2.525 1002 H HA 0.224 4.780 4.556 0.000 0.000 0.340 1002 H C -0.243 175.087 175.328 0.002 0.000 1.168 1002 H CA -0.580 55.468 56.048 0.000 0.000 1.247 1002 H CB 1.626 31.390 29.762 0.004 0.000 1.568 1002 H HN 0.598 nan 8.280 nan 0.000 0.536 1003 S N 0.253 116.035 115.700 0.137 0.000 2.549 1003 S HA -0.039 4.431 4.470 0.000 0.000 0.286 1003 S C 0.732 175.388 174.600 0.094 0.000 1.314 1003 S CA -0.094 58.150 58.200 0.073 0.000 1.062 1003 S CB 0.248 63.480 63.200 0.053 0.000 0.865 1003 S HN 0.558 nan 8.310 nan 0.000 0.498 1004 Q N 2.519 122.367 119.800 0.080 0.000 2.175 1004 Q HA 0.227 4.567 4.340 0.000 0.000 0.225 1004 Q C -0.265 175.861 176.000 0.209 0.000 0.837 1004 Q CA 0.075 55.957 55.803 0.132 0.000 1.032 1004 Q CB 0.485 29.296 28.738 0.121 0.000 1.137 1004 Q HN 0.533 nan 8.270 nan 0.000 0.483 1005 K N 0.785 121.266 120.400 0.135 0.000 3.123 1005 K HA 0.271 4.591 4.320 0.000 0.000 0.209 1005 K C -0.619 176.084 176.600 0.172 0.000 1.132 1005 K CA -0.200 56.126 56.287 0.065 0.000 0.992 1005 K CB 0.963 33.252 32.500 -0.351 0.000 0.773 1005 K HN -0.034 nan 8.250 nan 0.000 0.458 1006 R N 1.217 121.854 120.500 0.229 0.000 2.390 1006 R HA 0.348 4.688 4.340 0.000 0.000 0.291 1006 R C -0.315 176.098 176.300 0.187 0.000 1.070 1006 R CA -0.401 55.794 56.100 0.159 0.000 1.014 1006 R CB 1.483 31.842 30.300 0.099 0.000 1.007 1006 R HN 0.013 nan 8.270 nan 0.000 0.466 1007 V N 2.463 122.428 119.914 0.085 0.000 2.925 1007 V HA 0.526 4.646 4.120 0.000 0.000 0.311 1007 V C -1.017 175.050 176.094 -0.044 0.000 1.104 1007 V CA -0.738 61.566 62.300 0.007 0.000 0.954 1007 V CB 2.406 34.183 31.823 -0.077 0.000 1.022 1007 V HN 0.443 nan 8.190 nan 0.000 0.427 1008 V N 5.875 125.730 119.914 -0.099 0.000 2.427 1008 V HA 0.533 4.653 4.120 0.000 0.000 0.286 1008 V C -0.159 175.825 176.094 -0.183 0.000 1.034 1008 V CA -0.436 61.785 62.300 -0.133 0.000 0.893 1008 V CB 1.793 33.519 31.823 -0.162 0.000 0.982 1008 V HN 0.775 nan 8.190 nan 0.000 0.452 1009 V N 6.128 125.928 119.914 -0.189 0.000 2.370 1009 V HA 0.373 4.493 4.120 0.000 0.000 0.283 1009 V C -0.273 175.716 176.094 -0.175 0.000 1.023 1009 V CA -0.538 61.653 62.300 -0.182 0.000 0.857 1009 V CB 1.511 33.223 31.823 -0.186 0.000 0.985 1009 V HN 0.645 nan 8.190 nan 0.000 0.443 1010 L N 5.658 126.794 121.223 -0.145 0.000 2.259 1010 L HA 0.862 5.202 4.340 0.000 0.000 0.288 1010 L C 0.341 177.169 176.870 -0.070 0.000 1.051 1010 L CA 0.812 55.581 54.840 -0.118 0.000 0.824 1010 L CB 0.371 42.356 42.059 -0.122 0.000 1.206 1010 L HN 0.948 nan 8.230 nan 0.000 0.429 1011 G N 2.700 111.462 108.800 -0.064 0.000 2.841 1011 G HA2 0.029 3.989 3.960 0.000 0.000 0.684 1011 G HA3 0.029 3.989 3.960 0.000 0.000 0.684 1011 G C -0.358 174.538 174.900 -0.006 0.000 1.273 1011 G CA -0.255 44.833 45.100 -0.020 0.000 0.811 1011 G HN 0.704 nan 8.290 nan 0.000 0.631 1012 S N 0.758 116.477 115.700 0.032 0.000 2.941 1012 S HA 0.564 5.034 4.470 0.000 0.000 0.251 1012 S C 1.244 175.965 174.600 0.201 0.000 1.029 1012 S CA 1.002 59.259 58.200 0.096 0.000 1.062 1012 S CB -0.603 62.666 63.200 0.115 0.000 0.977 1012 S HN 1.802 nan 8.310 nan 0.000 0.552 1013 G N 0.351 109.292 108.800 0.235 0.000 2.553 1013 G HA2 0.332 4.292 3.960 0.000 0.000 0.278 1013 G HA3 0.332 4.292 3.960 0.000 0.000 0.278 1013 G C 1.146 176.101 174.900 0.091 0.000 1.349 1013 G CA 0.024 45.289 45.100 0.276 0.000 1.037 1013 G HN 0.328 nan 8.290 nan 0.000 0.508 1014 V N -0.082 119.805 119.914 -0.045 0.000 2.469 1014 V HA -0.137 3.983 4.120 0.000 0.000 0.251 1014 V C 2.564 178.579 176.094 -0.132 0.000 1.064 1014 V CA 1.427 63.639 62.300 -0.148 0.000 1.066 1014 V CB -0.500 30.967 31.823 -0.592 0.000 0.667 1014 V HN 0.529 nan 8.190 nan 0.000 0.461 1015 I N 0.675 121.145 120.570 -0.167 0.000 2.233 1015 I HA -0.061 4.109 4.170 0.000 0.000 0.243 1015 I C 2.700 178.741 176.117 -0.127 0.000 1.093 1015 I CA 1.738 62.906 61.300 -0.220 0.000 1.380 1015 I CB -2.041 35.794 38.000 -0.274 0.000 1.067 1015 I HN 0.403 nan 8.210 nan 0.000 0.413 1016 G N 1.167 109.935 108.800 -0.052 0.000 2.418 1016 G HA2 -0.179 3.781 3.960 0.000 0.000 0.217 1016 G HA3 -0.179 3.781 3.960 0.000 0.000 0.217 1016 G C 1.865 176.725 174.900 -0.068 0.000 1.158 1016 G CA 0.410 45.479 45.100 -0.052 0.000 0.771 1016 G HN 0.285 nan 8.290 nan 0.000 0.545 1017 L N 0.696 121.905 121.223 -0.023 0.000 2.017 1017 L HA -0.092 4.248 4.340 0.000 0.000 0.208 1017 L C 3.225 180.072 176.870 -0.040 0.000 1.073 1017 L CA 1.364 56.199 54.840 -0.007 0.000 0.745 1017 L CB -0.413 41.675 42.059 0.049 0.000 0.894 1017 L HN 0.172 nan 8.230 nan 0.000 0.432 1018 S N -0.728 114.950 115.700 -0.038 0.000 2.368 1018 S HA -0.157 4.313 4.470 0.000 0.000 0.225 1018 S C 2.200 176.674 174.600 -0.211 0.000 1.030 1018 S CA 1.462 59.633 58.200 -0.049 0.000 0.999 1018 S CB -0.136 63.062 63.200 -0.004 0.000 0.844 1018 S HN 0.344 nan 8.310 nan 0.000 0.459 1019 S N 1.890 117.464 115.700 -0.210 0.000 2.356 1019 S HA -0.064 4.406 4.470 0.000 0.000 0.223 1019 S C 2.320 176.795 174.600 -0.208 0.000 1.032 1019 S CA 1.018 59.077 58.200 -0.234 0.000 1.005 1019 S CB -0.603 62.482 63.200 -0.192 0.000 0.867 1019 S HN 0.612 nan 8.310 nan 0.000 0.449 1020 A N 1.363 124.079 122.820 -0.173 0.000 1.908 1020 A HA -0.100 4.220 4.320 0.000 0.000 0.218 1020 A C 2.139 179.640 177.584 -0.139 0.000 1.181 1020 A CA 1.544 53.480 52.037 -0.169 0.000 0.627 1020 A CB -0.732 18.153 19.000 -0.190 0.000 0.818 1020 A HN 0.413 nan 8.150 nan 0.000 0.445 1021 L N -0.025 121.129 121.223 -0.116 0.000 2.027 1021 L HA -0.064 4.276 4.340 0.000 0.000 0.206 1021 L C 2.245 179.073 176.870 -0.070 0.000 1.074 1021 L CA 1.681 56.483 54.840 -0.063 0.000 0.745 1021 L CB -0.450 41.617 42.059 0.013 0.000 0.898 1021 L HN 0.445 nan 8.230 nan 0.000 0.433 1022 I N -1.073 119.388 120.570 -0.181 0.000 2.226 1022 I HA -0.327 3.843 4.170 0.000 0.000 0.245 1022 I C 2.397 178.457 176.117 -0.094 0.000 1.100 1022 I CA 1.282 62.469 61.300 -0.189 0.000 1.374 1022 I CB -0.366 37.401 38.000 -0.388 0.000 1.057 1022 I HN 0.274 nan 8.210 nan 0.000 0.413 1023 L N 0.641 121.795 121.223 -0.115 0.000 2.046 1023 L HA -0.211 4.129 4.340 0.000 0.000 0.208 1023 L C 2.892 179.809 176.870 0.077 0.000 1.077 1023 L CA 1.435 56.248 54.840 -0.044 0.000 0.747 1023 L CB -0.751 41.178 42.059 -0.217 0.000 0.896 1023 L HN 0.239 nan 8.230 nan 0.000 0.432 1024 A N 0.057 122.877 122.820 0.000 0.000 1.902 1024 A HA -0.206 4.114 4.320 0.000 0.000 0.217 1024 A C 2.376 179.967 177.584 0.012 0.000 1.181 1024 A CA 1.482 53.523 52.037 0.007 0.000 0.623 1024 A CB -0.486 18.497 19.000 -0.028 0.000 0.818 1024 A HN 0.326 nan 8.150 nan 0.000 0.443 1025 R N -0.332 120.177 120.500 0.015 0.000 2.120 1025 R HA -0.076 4.264 4.340 0.000 0.000 0.234 1025 R C 1.618 177.927 176.300 0.014 0.000 1.123 1025 R CA 1.483 57.597 56.100 0.022 0.000 0.975 1025 R CB -0.207 30.122 30.300 0.049 0.000 0.866 1025 R HN 0.460 nan 8.270 nan 0.000 0.446 1026 K N -0.637 119.781 120.400 0.030 0.000 2.487 1026 K HA 0.052 4.372 4.320 0.000 0.000 0.192 1026 K C 0.774 177.308 176.600 -0.110 0.000 1.027 1026 K CA 0.565 56.856 56.287 0.007 0.000 1.054 1026 K CB 0.653 33.218 32.500 0.108 0.000 0.824 1026 K HN 0.395 nan 8.250 nan 0.000 0.510 1027 G N 0.513 109.259 108.800 -0.090 0.000 2.159 1027 G HA2 -0.264 3.696 3.960 0.000 0.000 0.227 1027 G HA3 -0.264 3.696 3.960 0.000 0.000 0.227 1027 G C -0.294 174.462 174.900 -0.240 0.000 0.986 1027 G CA -0.432 44.568 45.100 -0.166 0.000 0.651 1027 G HN 0.214 nan 8.290 nan 0.000 0.523 1028 Y N 1.072 121.285 120.300 -0.145 0.000 2.379 1028 Y HA 0.508 5.058 4.550 0.000 0.000 0.337 1028 Y C 1.231 177.065 175.900 -0.110 0.000 1.238 1028 Y CA 0.580 58.578 58.100 -0.170 0.000 1.405 1028 Y CB 1.310 39.638 38.460 -0.219 0.000 1.310 1028 Y HN 0.120 nan 8.280 nan 0.000 0.569 1029 S N 2.478 118.220 115.700 0.070 0.000 2.400 1029 S HA 0.459 4.929 4.470 0.000 0.000 0.295 1029 S C -0.974 173.646 174.600 0.034 0.000 1.113 1029 S CA -0.654 57.567 58.200 0.035 0.000 1.064 1029 S CB -0.544 62.674 63.200 0.030 0.000 0.990 1029 S HN 0.424 nan 8.310 nan 0.000 0.502 1030 V N 6.840 126.752 119.914 -0.003 0.000 2.417 1030 V HA 0.419 4.539 4.120 0.000 0.000 0.291 1030 V C 0.025 176.096 176.094 -0.039 0.000 1.024 1030 V CA -0.787 61.486 62.300 -0.046 0.000 0.861 1030 V CB 1.466 33.227 31.823 -0.105 0.000 0.985 1030 V HN 0.867 nan 8.190 nan 0.000 0.436 1031 H N 5.229 124.204 119.070 -0.159 0.000 2.505 1031 H HA 0.569 5.125 4.556 0.000 0.000 0.338 1031 H C -1.223 173.972 175.328 -0.222 0.000 1.057 1031 H CA -0.762 55.176 56.048 -0.184 0.000 1.202 1031 H CB 1.679 31.373 29.762 -0.114 0.000 1.466 1031 H HN 0.548 nan 8.280 nan 0.000 0.499 1032 I N 6.713 126.860 120.570 -0.704 0.000 2.321 1032 I HA 0.163 4.333 4.170 0.000 0.000 0.291 1032 I C -0.355 175.435 176.117 -0.545 0.000 0.998 1032 I CA -0.457 60.505 61.300 -0.564 0.000 1.227 1032 I CB 1.276 38.887 38.000 -0.649 0.000 1.368 1032 I HN 0.325 nan 8.210 nan 0.000 0.466 1033 L N 6.840 127.862 121.223 -0.335 0.000 2.296 1033 L HA 0.859 5.199 4.340 0.000 0.000 0.286 1033 L C -0.128 176.666 176.870 -0.126 0.000 1.023 1033 L CA -0.342 54.371 54.840 -0.210 0.000 0.812 1033 L CB 1.545 43.522 42.059 -0.137 0.000 1.223 1033 L HN 0.748 nan 8.230 nan 0.000 0.421 1034 A N 3.028 125.795 122.820 -0.088 0.000 2.605 1034 A HA 0.449 4.769 4.320 0.000 0.000 0.294 1034 A C 0.159 177.690 177.584 -0.088 0.000 1.062 1034 A CA -0.681 51.306 52.037 -0.083 0.000 0.682 1034 A CB 1.690 20.642 19.000 -0.080 0.000 1.278 1034 A HN 0.794 nan 8.150 nan 0.000 0.410 1035 R N 0.244 120.680 120.500 -0.107 0.000 2.062 1035 R HA -0.017 4.323 4.340 0.000 0.000 0.229 1035 R C -0.685 175.510 176.300 -0.175 0.000 1.128 1035 R CA 1.513 57.548 56.100 -0.108 0.000 0.960 1035 R CB 0.100 30.352 30.300 -0.079 0.000 0.855 1035 R HN 0.774 nan 8.270 nan 0.000 0.432 1036 D N 0.947 121.150 120.400 -0.329 0.000 2.308 1036 D HA 0.272 4.912 4.640 0.000 0.000 0.242 1036 D C -0.583 175.375 176.300 -0.570 0.000 1.059 1036 D CA -0.273 53.355 54.000 -0.620 0.000 0.830 1036 D CB 2.162 42.103 40.800 -1.432 0.000 1.161 1036 D HN 0.127 nan 8.370 nan 0.000 0.494 1037 L N 1.984 123.019 121.223 -0.314 0.000 2.286 1037 L HA 0.325 4.665 4.340 0.000 0.000 0.265 1037 L C -1.641 175.238 176.870 0.015 0.000 1.012 1037 L CA -2.206 52.562 54.840 -0.121 0.000 0.818 1037 L CB 1.975 43.966 42.059 -0.114 0.000 1.337 1037 L HN 0.032 nan 8.230 nan 0.000 0.438 1038 P HA -0.140 nan 4.420 nan 0.000 0.225 1038 P C 0.836 178.164 177.300 0.045 0.000 1.148 1038 P CA 0.777 63.928 63.100 0.086 0.000 0.779 1038 P CB 0.128 31.827 31.700 -0.001 0.000 0.780 1039 E N -0.770 119.422 120.200 -0.014 0.000 2.427 1039 E HA -0.095 4.255 4.350 0.000 0.000 0.196 1039 E C -0.153 176.463 176.600 0.027 0.000 1.028 1039 E CA 0.785 57.176 56.400 -0.015 0.000 0.864 1039 E CB -0.703 28.968 29.700 -0.048 0.000 0.813 1039 E HN 0.247 nan 8.360 nan 0.000 0.514 1040 D N 2.440 122.890 120.400 0.083 0.000 2.713 1040 D HA 0.021 4.661 4.640 0.000 0.000 0.229 1040 D C 1.281 177.673 176.300 0.154 0.000 1.136 1040 D CA -0.005 54.071 54.000 0.126 0.000 1.010 1040 D CB 1.009 41.883 40.800 0.125 0.000 1.084 1040 D HN 0.119 nan 8.370 nan 0.000 0.495 1041 V N -0.788 119.145 119.914 0.032 0.000 3.380 1041 V HA -0.044 4.076 4.120 0.000 0.000 0.268 1041 V C 1.315 177.266 176.094 -0.237 0.000 1.168 1041 V CA 1.050 63.286 62.300 -0.105 0.000 1.156 1041 V CB -0.476 31.299 31.823 -0.079 0.000 0.785 1041 V HN 0.285 nan 8.190 nan 0.000 0.487 1042 S N -1.286 114.388 115.700 -0.043 0.000 2.846 1042 S HA 0.304 4.774 4.470 0.000 0.000 0.249 1042 S C 0.625 175.473 174.600 0.413 0.000 1.028 1042 S CA 0.300 58.570 58.200 0.117 0.000 1.043 1042 S CB 0.040 63.362 63.200 0.203 0.000 0.990 1042 S HN 0.520 nan 8.310 nan 0.000 0.564 1043 S N 1.413 117.333 115.700 0.366 0.000 2.505 1043 S HA 0.243 4.713 4.470 0.000 0.000 0.276 1043 S C 0.801 175.839 174.600 0.730 0.000 1.274 1043 S CA -0.426 58.065 58.200 0.485 0.000 1.053 1043 S CB 0.759 64.226 63.200 0.445 0.000 0.919 1043 S HN 0.536 nan 8.310 nan 0.000 0.490 1044 Q N 2.510 122.635 119.800 0.541 0.000 2.444 1044 Q HA 0.014 4.354 4.340 0.000 0.000 0.206 1044 Q C 1.310 177.526 176.000 0.361 0.000 0.948 1044 Q CA 0.702 56.743 55.803 0.397 0.000 0.946 1044 Q CB 0.022 28.821 28.738 0.102 0.000 1.027 1044 Q HN 0.938 nan 8.270 nan 0.000 0.513 1045 T N -1.812 112.987 114.554 0.409 0.000 3.188 1045 T HA 0.215 4.565 4.350 0.000 0.000 0.250 1045 T C 0.150 175.112 174.700 0.438 0.000 1.077 1045 T CA -0.429 61.873 62.100 0.335 0.000 0.967 1045 T CB -0.492 68.505 68.868 0.215 0.000 1.006 1045 T HN 0.284 nan 8.240 nan 0.000 0.552 1046 F N -2.690 117.405 119.950 0.242 0.000 2.686 1046 F HA 0.793 5.320 4.527 0.000 0.000 0.311 1046 F C 0.796 176.791 175.800 0.325 0.000 1.128 1046 F CA -1.539 56.591 58.000 0.216 0.000 0.946 1046 F CB 0.881 39.973 39.000 0.154 0.000 1.336 1046 F HN -0.160 nan 8.300 nan 0.000 0.457 1047 A N 0.786 123.741 122.820 0.224 0.000 1.984 1047 A HA 0.107 4.427 4.320 0.000 0.000 0.214 1047 A C 1.825 179.423 177.584 0.022 0.000 1.173 1047 A CA 1.210 53.372 52.037 0.208 0.000 0.673 1047 A CB -1.008 18.112 19.000 0.199 0.000 0.830 1047 A HN 0.741 nan 8.150 nan 0.000 0.453 1048 S N 0.789 116.319 115.700 -0.283 0.000 2.400 1048 S HA -0.078 4.392 4.470 0.000 0.000 0.232 1048 S C -0.640 173.780 174.600 -0.301 0.000 1.025 1048 S CA 1.688 59.797 58.200 -0.151 0.000 0.993 1048 S CB -0.957 62.170 63.200 -0.121 0.000 0.808 1048 S HN 0.474 nan 8.310 nan 0.000 0.478 1049 P HA -0.026 nan 4.420 nan 0.000 0.225 1049 P C 0.273 177.098 177.300 -0.792 0.000 1.148 1049 P CA 0.813 63.390 63.100 -0.872 0.000 0.779 1049 P CB -0.140 30.729 31.700 -1.386 0.000 0.780 1050 W N -0.884 120.355 121.300 -0.102 0.000 3.220 1050 W HA 0.431 5.091 4.660 0.000 0.000 0.328 1050 W C 0.985 177.459 176.519 -0.075 0.000 1.205 1050 W CA -0.471 56.831 57.345 -0.072 0.000 1.773 1050 W CB -0.163 29.269 29.460 -0.047 0.000 1.086 1050 W HN -0.191 nan 8.180 nan 0.000 0.622 1051 A N 0.537 123.366 122.820 0.015 0.000 2.272 1051 A HA 0.558 4.878 4.320 0.000 0.000 0.275 1051 A C 1.663 179.133 177.584 -0.190 0.000 1.096 1051 A CA 0.269 52.262 52.037 -0.073 0.000 0.822 1051 A CB 0.116 19.000 19.000 -0.194 0.000 1.088 1051 A HN 0.263 nan 8.150 nan 0.000 0.495 1052 G N -0.023 108.680 108.800 -0.161 0.000 2.459 1052 G HA2 0.227 4.187 3.960 0.000 0.000 0.217 1052 G HA3 0.227 4.187 3.960 0.000 0.000 0.217 1052 G C 0.712 175.459 174.900 -0.254 0.000 1.183 1052 G CA 1.275 46.284 45.100 -0.152 0.000 0.776 1052 G HN 1.524 nan 8.290 nan 0.000 0.552 1053 A N 0.204 122.810 122.820 -0.357 0.000 2.271 1053 A HA 0.606 4.926 4.320 0.000 0.000 0.317 1053 A C 0.006 177.523 177.584 -0.113 0.000 1.245 1053 A CA -0.510 51.343 52.037 -0.307 0.000 0.857 1053 A CB 0.391 18.982 19.000 -0.682 0.000 1.175 1053 A HN 0.686 nan 8.150 nan 0.000 0.512 1054 N N 0.773 119.500 118.700 0.045 0.000 2.741 1054 N HA 0.571 5.311 4.740 0.000 0.000 0.310 1054 N C -0.939 174.790 175.510 0.365 0.000 1.295 1054 N CA -0.872 52.298 53.050 0.199 0.000 0.893 1054 N CB 1.089 39.647 38.487 0.118 0.000 1.247 1054 N HN 0.633 nan 8.380 nan 0.000 0.596 1055 W N 0.974 122.384 121.300 0.184 0.000 2.299 1055 W HA 0.413 5.073 4.660 0.000 0.000 0.319 1055 W C -1.327 175.133 176.519 -0.097 0.000 1.008 1055 W CA -0.257 57.125 57.345 0.062 0.000 1.384 1055 W CB 0.990 30.538 29.460 0.147 0.000 1.220 1055 W HN 0.385 nan 8.180 nan 0.000 0.402 1056 T N 7.246 121.527 114.554 -0.455 0.000 3.077 1056 T HA 0.225 4.575 4.350 0.000 0.000 0.359 1056 T C -2.633 171.257 174.700 -1.350 0.000 1.108 1056 T CA -1.202 60.475 62.100 -0.704 0.000 1.170 1056 T CB 1.084 69.668 68.868 -0.474 0.000 1.045 1056 T HN 0.024 nan 8.240 nan 0.000 0.505 1057 P HA 0.185 nan 4.420 nan 0.000 0.266 1057 P C -0.201 176.620 177.300 -0.798 0.000 1.195 1057 P CA -0.008 62.476 63.100 -1.027 0.000 0.768 1057 P CB 0.384 31.514 31.700 -0.950 0.000 0.838 1058 F N 0.507 120.402 119.950 -0.091 0.000 2.706 1058 F HA 0.333 4.860 4.527 0.000 0.000 0.313 1058 F C 0.911 176.720 175.800 0.016 0.000 1.096 1058 F CA 0.061 58.036 58.000 -0.041 0.000 1.219 1058 F CB 0.348 39.307 39.000 -0.069 0.000 1.051 1058 F HN 0.137 nan 8.300 nan 0.000 0.568 1059 M N -0.078 119.637 119.600 0.191 0.000 2.572 1059 M HA 0.331 4.811 4.480 0.000 0.000 0.299 1059 M C 0.024 176.411 176.300 0.145 0.000 1.205 1059 M CA -0.930 54.442 55.300 0.121 0.000 0.876 1059 M CB 2.209 34.825 32.600 0.027 0.000 1.728 1059 M HN -0.054 nan 8.290 nan 0.000 0.458 1060 T N -1.191 113.401 114.554 0.063 0.000 2.748 1060 T HA 0.305 4.655 4.350 0.000 0.000 0.304 1060 T C 1.147 175.719 174.700 -0.213 0.000 1.041 1060 T CA -0.629 61.482 62.100 0.019 0.000 1.033 1060 T CB 0.589 69.464 68.868 0.012 0.000 0.995 1060 T HN 0.632 nan 8.240 nan 0.000 0.536 1061 L N 0.400 121.439 121.223 -0.307 0.000 2.046 1061 L HA -0.108 4.232 4.340 0.000 0.000 0.208 1061 L C 3.152 179.867 176.870 -0.258 0.000 1.077 1061 L CA 1.593 56.186 54.840 -0.411 0.000 0.747 1061 L CB -1.221 40.639 42.059 -0.332 0.000 0.896 1061 L HN 0.826 nan 8.230 nan 0.000 0.432 1062 T N -1.042 113.418 114.554 -0.158 0.000 2.777 1062 T HA -0.152 4.198 4.350 0.000 0.000 0.266 1062 T C 1.454 176.082 174.700 -0.120 0.000 1.040 1062 T CA 1.381 63.409 62.100 -0.120 0.000 1.141 1062 T CB -0.167 68.656 68.868 -0.075 0.000 0.868 1062 T HN 0.295 nan 8.240 nan 0.000 0.444 1063 D N 0.854 121.189 120.400 -0.109 0.000 2.149 1063 D HA 0.048 4.688 4.640 0.000 0.000 0.201 1063 D C 1.430 177.653 176.300 -0.128 0.000 0.972 1063 D CA 0.848 54.792 54.000 -0.093 0.000 0.835 1063 D CB -0.157 40.609 40.800 -0.057 0.000 0.966 1063 D HN 0.458 nan 8.370 nan 0.000 0.476 1064 G N 0.680 109.371 108.800 -0.181 0.000 4.876 1064 G HA2 0.232 4.192 3.960 0.000 0.000 0.304 1064 G HA3 0.232 4.192 3.960 0.000 0.000 0.304 1064 G C -1.919 172.772 174.900 -0.348 0.000 1.396 1064 G CA -0.797 44.165 45.100 -0.230 0.000 0.978 1064 G HN -0.036 nan 8.290 nan 0.000 0.565 1065 P HA -0.134 nan 4.420 nan 0.000 0.216 1065 P C 1.673 178.680 177.300 -0.488 0.000 1.153 1065 P CA 0.666 63.536 63.100 -0.384 0.000 0.844 1065 P CB 0.501 32.033 31.700 -0.280 0.000 0.787 1066 R N -0.191 119.954 120.500 -0.592 0.000 2.081 1066 R HA -0.127 4.213 4.340 0.000 0.000 0.235 1066 R C 2.678 178.225 176.300 -1.254 0.000 1.131 1066 R CA 1.468 56.939 56.100 -1.049 0.000 0.960 1066 R CB -0.737 28.779 30.300 -1.307 0.000 0.856 1066 R HN 0.184 nan 8.270 nan 0.000 0.436 1067 Q N 0.388 119.729 119.800 -0.765 0.000 2.096 1067 Q HA -0.152 4.188 4.340 0.000 0.000 0.204 1067 Q C 2.129 178.002 176.000 -0.211 0.000 0.982 1067 Q CA 2.103 57.725 55.803 -0.301 0.000 0.850 1067 Q CB -0.314 28.347 28.738 -0.129 0.000 0.901 1067 Q HN 0.399 nan 8.270 nan 0.000 0.422 1068 A N 0.764 123.334 122.820 -0.418 0.000 1.902 1068 A HA -0.237 4.083 4.320 0.000 0.000 0.217 1068 A C 2.007 179.465 177.584 -0.211 0.000 1.181 1068 A CA 1.676 53.380 52.037 -0.556 0.000 0.623 1068 A CB -0.522 17.669 19.000 -1.349 0.000 0.818 1068 A HN 0.288 nan 8.150 nan 0.000 0.443 1069 K N -1.302 118.935 120.400 -0.271 0.000 2.032 1069 K HA -0.212 4.108 4.320 0.000 0.000 0.209 1069 K C 1.852 178.546 176.600 0.156 0.000 1.048 1069 K CA 1.847 58.079 56.287 -0.091 0.000 0.927 1069 K CB -0.284 32.096 32.500 -0.200 0.000 0.712 1069 K HN 0.638 nan 8.250 nan 0.000 0.441 1070 W N 1.538 122.878 121.300 0.066 0.000 2.381 1070 W HA -0.079 4.581 4.660 0.000 0.000 0.301 1070 W C 1.913 178.524 176.519 0.154 0.000 1.205 1070 W CA 0.762 58.166 57.345 0.098 0.000 1.285 1070 W CB -0.864 28.647 29.460 0.085 0.000 1.133 1070 W HN 0.294 nan 8.180 nan 0.000 0.521 1071 E N 0.159 120.597 120.200 0.398 0.000 2.051 1071 E HA -0.238 4.112 4.350 0.000 0.000 0.192 1071 E C 1.945 178.987 176.600 0.737 0.000 0.991 1071 E CA 1.664 58.334 56.400 0.451 0.000 0.799 1071 E CB -0.368 29.412 29.700 0.133 0.000 0.748 1071 E HN 0.295 nan 8.360 nan 0.000 0.449 1072 E N 0.378 120.935 120.200 0.595 0.000 2.085 1072 E HA -0.213 4.137 4.350 0.000 0.000 0.194 1072 E C 2.108 178.900 176.600 0.320 0.000 0.994 1072 E CA 1.284 57.959 56.400 0.458 0.000 0.801 1072 E CB -0.035 29.888 29.700 0.371 0.000 0.743 1072 E HN 0.062 nan 8.360 nan 0.000 0.453 1073 S N -0.882 115.006 115.700 0.313 0.000 2.368 1073 S HA -0.134 4.336 4.470 0.000 0.000 0.224 1073 S C 1.965 176.715 174.600 0.251 0.000 1.029 1073 S CA 1.812 60.184 58.200 0.287 0.000 0.988 1073 S CB -0.421 62.974 63.200 0.325 0.000 0.838 1073 S HN 0.369 nan 8.310 nan 0.000 0.462 1074 T N 1.117 115.808 114.554 0.228 0.000 2.821 1074 T HA -0.012 4.338 4.350 0.000 0.000 0.267 1074 T C 1.322 175.844 174.700 -0.298 0.000 1.046 1074 T CA 1.256 63.332 62.100 -0.040 0.000 1.139 1074 T CB -0.521 68.265 68.868 -0.137 0.000 0.871 1074 T HN 0.486 nan 8.240 nan 0.000 0.454 1075 F N 2.080 121.839 119.950 -0.318 0.000 2.126 1075 F HA -0.127 4.400 4.527 0.000 0.000 0.299 1075 F C 2.231 177.854 175.800 -0.295 0.000 1.096 1075 F CA 1.384 59.042 58.000 -0.570 0.000 1.255 1075 F CB -0.107 38.355 39.000 -0.896 0.000 0.997 1075 F HN 0.013 nan 8.300 nan 0.000 0.479 1076 K N -0.179 120.260 120.400 0.064 0.000 2.063 1076 K HA -0.256 4.064 4.320 0.000 0.000 0.208 1076 K C 2.064 178.627 176.600 -0.061 0.000 1.048 1076 K CA 1.720 58.033 56.287 0.043 0.000 0.928 1076 K CB -0.268 32.290 32.500 0.097 0.000 0.713 1076 K HN 0.044 nan 8.250 nan 0.000 0.442 1077 K N 0.489 120.813 120.400 -0.127 0.000 2.026 1077 K HA -0.167 4.153 4.320 0.000 0.000 0.208 1077 K C 1.647 178.210 176.600 -0.061 0.000 1.048 1077 K CA 1.458 57.603 56.287 -0.236 0.000 0.929 1077 K CB -0.282 31.871 32.500 -0.578 0.000 0.713 1077 K HN 0.165 nan 8.250 nan 0.000 0.439 1078 W N 0.483 121.589 121.300 -0.324 0.000 2.374 1078 W HA -0.049 4.611 4.660 0.000 0.000 0.288 1078 W C 2.051 178.278 176.519 -0.488 0.000 1.218 1078 W CA 0.505 57.612 57.345 -0.397 0.000 1.245 1078 W CB -1.030 28.136 29.460 -0.490 0.000 1.126 1078 W HN -0.085 nan 8.180 nan 0.000 0.545 1079 V N 0.585 120.316 119.914 -0.306 0.000 2.332 1079 V HA -0.300 3.820 4.120 0.000 0.000 0.248 1079 V C 1.958 177.969 176.094 -0.138 0.000 1.055 1079 V CA 2.162 64.289 62.300 -0.288 0.000 1.038 1079 V CB -0.811 30.941 31.823 -0.118 0.000 0.651 1079 V HN 0.189 nan 8.190 nan 0.000 0.450 1080 E N -0.307 119.836 120.200 -0.094 0.000 2.268 1080 E HA -0.103 4.247 4.350 0.000 0.000 0.195 1080 E C 1.939 178.496 176.600 -0.071 0.000 0.995 1080 E CA 0.768 57.132 56.400 -0.060 0.000 0.836 1080 E CB -0.073 29.591 29.700 -0.059 0.000 0.763 1080 E HN 0.538 nan 8.360 nan 0.000 0.491 1081 L N 0.165 121.325 121.223 -0.106 0.000 2.567 1081 L HA 0.001 4.341 4.340 0.000 0.000 0.225 1081 L C 1.992 178.768 176.870 -0.157 0.000 1.119 1081 L CA -0.125 54.645 54.840 -0.118 0.000 0.871 1081 L CB 0.241 42.222 42.059 -0.130 0.000 1.036 1081 L HN 0.018 nan 8.230 nan 0.000 0.459 1082 V N 0.858 120.665 119.914 -0.178 0.000 2.343 1082 V HA -0.150 3.970 4.120 0.000 0.000 0.247 1082 V C -0.042 175.991 176.094 -0.102 0.000 1.051 1082 V CA 1.837 64.030 62.300 -0.178 0.000 1.036 1082 V CB -1.323 30.395 31.823 -0.175 0.000 0.654 1082 V HN 0.354 nan 8.190 nan 0.000 0.451 1083 P HA -0.127 nan 4.420 nan 0.000 0.218 1083 P C 1.524 178.782 177.300 -0.071 0.000 1.148 1083 P CA 1.927 65.004 63.100 -0.039 0.000 0.822 1083 P CB -0.200 31.492 31.700 -0.014 0.000 0.784 1084 T N -5.931 108.566 114.554 -0.094 0.000 3.122 1084 T HA 0.395 4.745 4.350 0.000 0.000 0.250 1084 T C 1.430 175.928 174.700 -0.336 0.000 1.067 1084 T CA 0.294 62.312 62.100 -0.135 0.000 0.966 1084 T CB -0.522 68.332 68.868 -0.023 0.000 1.002 1084 T HN 0.223 nan 8.240 nan 0.000 0.542 1085 G N 1.511 110.125 108.800 -0.310 0.000 2.159 1085 G HA2 -0.277 3.683 3.960 0.000 0.000 0.256 1085 G HA3 -0.277 3.683 3.960 0.000 0.000 0.256 1085 G C 0.648 175.247 174.900 -0.501 0.000 0.977 1085 G CA 0.352 45.230 45.100 -0.370 0.000 0.652 1085 G HN 0.620 nan 8.290 nan 0.000 0.531 1086 H N -0.046 118.844 119.070 -0.300 0.000 2.548 1086 H HA 0.511 5.067 4.556 0.000 0.000 0.268 1086 H C 1.536 176.647 175.328 -0.362 0.000 0.975 1086 H CA 1.382 57.215 56.048 -0.358 0.000 1.195 1086 H CB 0.483 29.873 29.762 -0.620 0.000 1.397 1086 H HN 0.838 nan 8.280 nan 0.000 0.572 1087 A N 0.613 123.240 122.820 -0.322 0.000 2.469 1087 A HA 0.641 4.961 4.320 0.000 0.000 0.299 1087 A C -0.717 176.639 177.584 -0.379 0.000 1.098 1087 A CA -0.726 51.035 52.037 -0.459 0.000 0.737 1087 A CB 2.456 21.114 19.000 -0.570 0.000 1.312 1087 A HN 0.183 nan 8.150 nan 0.000 0.414 1088 M N 0.826 120.198 119.600 -0.380 0.000 2.386 1088 M HA 0.492 4.972 4.480 0.000 0.000 0.293 1088 M C -2.000 174.159 176.300 -0.236 0.000 1.120 1088 M CA -0.402 54.751 55.300 -0.246 0.000 0.909 1088 M CB 1.318 33.832 32.600 -0.142 0.000 1.661 1088 M HN 0.766 nan 8.290 nan 0.000 0.452 1089 W N 4.886 126.140 121.300 -0.078 0.000 2.210 1089 W HA 0.319 4.979 4.660 0.000 0.000 0.330 1089 W C -0.643 175.865 176.519 -0.018 0.000 1.334 1089 W CA -0.315 57.006 57.345 -0.039 0.000 1.227 1089 W CB 0.408 29.853 29.460 -0.024 0.000 1.178 1089 W HN 0.454 nan 8.180 nan 0.000 0.560 1090 L N 5.189 126.597 121.223 0.309 0.000 2.426 1090 L HA 0.281 4.621 4.340 0.000 0.000 0.255 1090 L C 0.105 177.102 176.870 0.212 0.000 1.080 1090 L CA -0.626 54.333 54.840 0.198 0.000 0.960 1090 L CB -0.164 41.983 42.059 0.147 0.000 1.326 1090 L HN 0.311 nan 8.230 nan 0.000 0.441 1091 K N 1.280 121.773 120.400 0.155 0.000 2.270 1091 K HA 0.363 4.683 4.320 0.000 0.000 0.276 1091 K C 1.078 177.688 176.600 0.017 0.000 1.023 1091 K CA 0.265 56.597 56.287 0.076 0.000 0.955 1091 K CB 1.004 33.507 32.500 0.006 0.000 0.975 1091 K HN 0.649 nan 8.250 nan 0.000 0.471 1092 G N 2.194 110.984 108.800 -0.018 0.000 2.249 1092 G HA2 -0.264 3.696 3.960 0.000 0.000 0.273 1092 G HA3 -0.264 3.696 3.960 0.000 0.000 0.273 1092 G C 0.128 174.948 174.900 -0.133 0.000 1.036 1092 G CA 0.190 45.245 45.100 -0.075 0.000 0.824 1092 G HN 0.590 nan 8.290 nan 0.000 0.504 1093 T N 0.120 114.562 114.554 -0.187 0.000 2.946 1093 T HA 0.349 4.699 4.350 0.000 0.000 0.311 1093 T C 0.935 175.342 174.700 -0.488 0.000 1.063 1093 T CA 0.410 62.324 62.100 -0.310 0.000 1.139 1093 T CB 0.503 69.164 68.868 -0.345 0.000 0.994 1093 T HN 0.527 nan 8.240 nan 0.000 0.547 1094 R N 1.912 122.159 120.500 -0.422 0.000 2.445 1094 R HA 0.551 4.891 4.340 0.000 0.000 0.308 1094 R C -0.046 175.837 176.300 -0.695 0.000 0.961 1094 R CA -0.707 55.057 56.100 -0.559 0.000 0.862 1094 R CB 1.491 31.481 30.300 -0.517 0.000 1.144 1094 R HN 0.446 nan 8.270 nan 0.000 0.447 1095 R N 3.875 123.985 120.500 -0.650 0.000 2.439 1095 R HA 0.387 4.727 4.340 0.000 0.000 0.310 1095 R C -1.355 174.741 176.300 -0.340 0.000 0.955 1095 R CA -0.410 55.460 56.100 -0.383 0.000 0.853 1095 R CB 0.831 31.148 30.300 0.027 0.000 1.171 1095 R HN 0.495 nan 8.270 nan 0.000 0.449 1096 F N 2.655 122.664 119.950 0.099 0.000 2.480 1096 F HA 0.751 5.278 4.527 0.000 0.000 0.329 1096 F C 0.401 176.268 175.800 0.111 0.000 1.091 1096 F CA -0.964 57.093 58.000 0.095 0.000 0.972 1096 F CB 2.296 41.351 39.000 0.093 0.000 1.150 1096 F HN 0.546 nan 8.300 nan 0.000 0.467 1097 A N 1.948 124.945 122.820 0.294 0.000 2.479 1097 A HA 0.452 4.772 4.320 0.000 0.000 0.296 1097 A C 0.116 177.792 177.584 0.153 0.000 1.121 1097 A CA -0.692 51.462 52.037 0.195 0.000 0.743 1097 A CB 1.721 20.812 19.000 0.151 0.000 1.323 1097 A HN 0.851 nan 8.150 nan 0.000 0.415 1098 Q N -0.246 119.623 119.800 0.116 0.000 2.230 1098 Q HA -0.015 4.325 4.340 0.000 0.000 0.202 1098 Q C -0.135 175.910 176.000 0.074 0.000 0.963 1098 Q CA 1.547 57.401 55.803 0.085 0.000 0.866 1098 Q CB -0.061 28.719 28.738 0.070 0.000 0.931 1098 Q HN 0.823 nan 8.270 nan 0.000 0.452 1099 N N -2.568 116.179 118.700 0.079 0.000 3.227 1099 N HA -0.029 4.711 4.740 0.000 0.000 0.241 1099 N C -0.224 175.330 175.510 0.073 0.000 1.480 1099 N CA -0.472 52.620 53.050 0.069 0.000 0.886 1099 N CB 0.412 38.931 38.487 0.054 0.000 1.406 1099 N HN -0.212 nan 8.380 nan 0.000 0.514 1100 E N -0.283 119.960 120.200 0.072 0.000 2.118 1100 E HA -0.170 4.180 4.350 0.000 0.000 0.195 1100 E C 0.441 177.068 176.600 0.045 0.000 0.992 1100 E CA 1.803 58.249 56.400 0.078 0.000 0.804 1100 E CB -0.314 29.441 29.700 0.092 0.000 0.741 1100 E HN 0.574 nan 8.360 nan 0.000 0.458 1101 D N -0.676 119.751 120.400 0.044 0.000 2.182 1101 D HA -0.108 4.532 4.640 0.000 0.000 0.201 1101 D C 1.683 178.003 176.300 0.033 0.000 0.986 1101 D CA 1.433 55.454 54.000 0.034 0.000 0.847 1101 D CB -0.638 40.184 40.800 0.036 0.000 0.942 1101 D HN 0.386 nan 8.370 nan 0.000 0.467 1102 G N -0.218 108.611 108.800 0.048 0.000 2.776 1102 G HA2 -0.079 3.881 3.960 0.000 0.000 0.209 1102 G HA3 -0.079 3.881 3.960 0.000 0.000 0.209 1102 G C 1.304 176.241 174.900 0.062 0.000 1.145 1102 G CA -0.029 45.110 45.100 0.065 0.000 0.791 1102 G HN 0.281 nan 8.290 nan 0.000 0.530 1103 L N -0.254 120.969 121.223 -0.000 0.000 2.611 1103 L HA 0.371 4.711 4.340 0.000 0.000 0.229 1103 L C 0.811 177.591 176.870 -0.150 0.000 1.137 1103 L CA -0.164 54.624 54.840 -0.087 0.000 0.901 1103 L CB -0.028 41.901 42.059 -0.216 0.000 1.098 1103 L HN 0.098 nan 8.230 nan 0.000 0.456 1104 L N 0.245 121.448 121.223 -0.032 0.000 4.089 1104 L HA -0.250 4.090 4.340 0.000 0.000 0.408 1104 L C 1.127 178.045 176.870 0.080 0.000 1.184 1104 L CA 0.238 55.128 54.840 0.084 0.000 0.947 1104 L CB -2.453 39.736 42.059 0.216 0.000 2.066 1104 L HN 0.528 nan 8.230 nan 0.000 0.851 1105 G N -0.744 108.027 108.800 -0.049 0.000 2.168 1105 G HA2 -0.351 3.609 3.960 0.000 0.000 0.257 1105 G HA3 -0.351 3.609 3.960 0.000 0.000 0.257 1105 G C 0.375 175.305 174.900 0.049 0.000 0.997 1105 G CA 0.916 46.035 45.100 0.031 0.000 0.708 1105 G HN 1.039 nan 8.290 nan 0.000 0.520 1106 H N -2.704 116.323 119.070 -0.072 0.000 2.820 1106 H HA -0.210 4.346 4.556 0.000 0.000 0.295 1106 H C 1.587 176.590 175.328 -0.542 0.000 1.187 1106 H CA 1.638 57.452 56.048 -0.391 0.000 1.144 1106 H CB -1.893 27.697 29.762 -0.287 0.000 1.354 1106 H HN 0.959 nan 8.280 nan 0.000 0.395 1107 W N 0.494 121.656 121.300 -0.230 0.000 2.425 1107 W HA -0.192 4.468 4.660 0.000 0.000 0.277 1107 W C 1.161 177.592 176.519 -0.146 0.000 1.231 1107 W CA 1.243 58.513 57.345 -0.125 0.000 1.248 1107 W CB -0.965 28.484 29.460 -0.018 0.000 1.117 1107 W HN 0.535 nan 8.180 nan 0.000 0.568 1108 Y N 2.109 121.872 120.300 -0.895 0.000 2.470 1108 Y HA 0.300 4.850 4.550 0.000 0.000 0.284 1108 Y C 2.106 177.626 175.900 -0.634 0.000 1.188 1108 Y CA 0.153 57.679 58.100 -0.956 0.000 1.269 1108 Y CB -1.033 36.573 38.460 -1.423 0.000 1.094 1108 Y HN 0.006 nan 8.280 nan 0.000 0.518 1109 K N -0.427 119.429 120.400 -0.906 0.000 2.362 1109 K HA -0.123 4.197 4.320 0.000 0.000 0.200 1109 K C 0.100 176.464 176.600 -0.394 0.000 1.046 1109 K CA 1.594 57.306 56.287 -0.958 0.000 0.952 1109 K CB -0.101 31.726 32.500 -1.122 0.000 0.753 1109 K HN 0.222 nan 8.250 nan 0.000 0.466 1110 D N 0.510 120.756 120.400 -0.256 0.000 2.339 1110 D HA 0.138 4.778 4.640 0.000 0.000 0.217 1110 D C 1.551 177.767 176.300 -0.141 0.000 1.050 1110 D CA 0.343 54.261 54.000 -0.136 0.000 0.856 1110 D CB 0.241 40.996 40.800 -0.075 0.000 0.922 1110 D HN 0.316 nan 8.370 nan 0.000 0.518 1111 I N 0.271 120.697 120.570 -0.240 0.000 2.681 1111 I HA -0.056 4.114 4.170 0.000 0.000 0.247 1111 I C 0.805 176.561 176.117 -0.601 0.000 1.091 1111 I CA 0.497 61.531 61.300 -0.444 0.000 1.442 1111 I CB -0.041 37.609 38.000 -0.583 0.000 1.219 1111 I HN -0.117 nan 8.210 nan 0.000 0.451 1112 T N 1.029 115.303 114.554 -0.466 0.000 2.752 1112 T HA 0.286 4.636 4.350 0.000 0.000 0.295 1112 T C -2.447 172.313 174.700 0.101 0.000 0.923 1112 T CA -1.641 60.378 62.100 -0.135 0.000 1.112 1112 T CB 0.347 69.249 68.868 0.056 0.000 0.884 1112 T HN -0.145 nan 8.240 nan 0.000 0.525 1113 P HA 0.132 nan 4.420 nan 0.000 0.268 1113 P C 0.342 177.720 177.300 0.129 0.000 1.208 1113 P CA -0.013 63.144 63.100 0.094 0.000 0.777 1113 P CB 0.228 31.923 31.700 -0.009 0.000 0.875 1114 N N -1.280 117.471 118.700 0.085 0.000 2.754 1114 N HA -0.251 4.489 4.740 0.000 0.000 0.248 1114 N C -0.621 174.975 175.510 0.143 0.000 1.093 1114 N CA 0.653 53.749 53.050 0.077 0.000 0.699 1114 N CB -2.003 36.498 38.487 0.023 0.000 1.016 1114 N HN 0.536 nan 8.380 nan 0.000 0.552 1115 Y N 1.872 122.207 120.300 0.058 0.000 2.442 1115 Y HA 0.193 4.743 4.550 0.000 0.000 0.330 1115 Y C 1.105 177.022 175.900 0.028 0.000 1.129 1115 Y CA 0.141 58.289 58.100 0.081 0.000 1.365 1115 Y CB 0.551 39.005 38.460 -0.010 0.000 1.233 1115 Y HN 0.239 nan 8.280 nan 0.000 0.529 1116 R N 4.986 125.399 120.500 -0.144 0.000 2.690 1116 R HA 0.510 4.850 4.340 0.000 0.000 0.269 1116 R C -3.462 172.746 176.300 -0.154 0.000 1.037 1116 R CA -2.234 53.827 56.100 -0.066 0.000 0.877 1116 R CB 1.057 31.346 30.300 -0.019 0.000 1.255 1116 R HN 0.301 nan 8.270 nan 0.000 0.467 1117 P HA 0.125 nan 4.420 nan 0.000 0.269 1117 P C -0.622 176.668 177.300 -0.017 0.000 1.215 1117 P CA -0.279 62.806 63.100 -0.025 0.000 0.780 1117 P CB 0.529 32.234 31.700 0.009 0.000 0.898 1118 L N 4.087 125.320 121.223 0.017 0.000 2.325 1118 L HA 0.426 4.766 4.340 0.000 0.000 0.279 1118 L C -1.843 175.060 176.870 0.055 0.000 1.054 1118 L CA -2.141 52.726 54.840 0.044 0.000 0.804 1118 L CB 0.810 42.930 42.059 0.102 0.000 1.200 1118 L HN 0.259 nan 8.230 nan 0.000 0.436 1119 P HA 0.065 nan 4.420 nan 0.000 0.269 1119 P C 0.385 177.709 177.300 0.040 0.000 1.215 1119 P CA -0.351 62.770 63.100 0.035 0.000 0.780 1119 P CB 0.632 32.346 31.700 0.024 0.000 0.898 1120 S N 0.073 115.789 115.700 0.026 0.000 2.419 1120 S HA -0.167 4.303 4.470 0.000 0.000 0.233 1120 S C 1.772 176.368 174.600 -0.007 0.000 1.016 1120 S CA 1.228 59.435 58.200 0.011 0.000 0.974 1120 S CB -1.316 61.887 63.200 0.005 0.000 0.786 1120 S HN 0.623 nan 8.310 nan 0.000 0.492 1121 S N 1.974 117.674 115.700 0.001 0.000 2.442 1121 S HA -0.065 4.405 4.470 0.000 0.000 0.236 1121 S C 1.329 175.927 174.600 -0.004 0.000 1.007 1121 S CA 0.836 59.032 58.200 -0.006 0.000 0.965 1121 S CB -0.474 62.727 63.200 0.002 0.000 0.773 1121 S HN 0.686 nan 8.310 nan 0.000 0.504 1122 E N -0.153 120.058 120.200 0.019 0.000 2.463 1122 E HA 0.234 4.584 4.350 0.000 0.000 0.193 1122 E C -0.425 176.204 176.600 0.049 0.000 1.041 1122 E CA -0.339 56.096 56.400 0.058 0.000 0.879 1122 E CB 0.352 30.107 29.700 0.092 0.000 0.997 1122 E HN 0.485 nan 8.360 nan 0.000 0.478 1123 C N 1.043 120.283 119.300 -0.099 0.000 2.562 1123 C HA 0.453 4.913 4.460 0.000 0.000 0.332 1123 C C -2.236 172.474 174.990 -0.466 0.000 1.201 1123 C CA -1.940 56.817 59.018 -0.436 0.000 1.803 1123 C CB 1.221 28.851 27.740 -0.183 0.000 2.328 1123 C HN 0.138 nan 8.230 nan 0.000 0.500 1124 P HA 0.172 nan 4.420 nan 0.000 0.268 1124 P C -2.590 174.589 177.300 -0.201 0.000 1.208 1124 P CA -0.539 62.358 63.100 -0.338 0.000 0.777 1124 P CB -0.389 31.130 31.700 -0.303 0.000 0.875 1125 P HA 0.049 nan 4.420 nan 0.000 0.264 1125 P C 1.034 178.297 177.300 -0.062 0.000 1.193 1125 P CA 1.164 64.215 63.100 -0.081 0.000 0.763 1125 P CB 0.012 31.675 31.700 -0.063 0.000 0.810 1126 G N 1.614 110.389 108.800 -0.042 0.000 2.205 1126 G HA2 -0.195 3.765 3.960 0.000 0.000 0.261 1126 G HA3 -0.195 3.765 3.960 0.000 0.000 0.261 1126 G C 0.449 175.344 174.900 -0.009 0.000 0.980 1126 G CA 0.164 45.252 45.100 -0.020 0.000 0.632 1126 G HN 0.879 nan 8.290 nan 0.000 0.533 1127 A N -0.441 122.362 122.820 -0.028 0.000 2.264 1127 A HA 0.856 5.176 4.320 0.000 0.000 0.304 1127 A C 0.187 177.796 177.584 0.042 0.000 1.100 1127 A CA 0.046 52.086 52.037 0.004 0.000 0.839 1127 A CB 0.997 19.969 19.000 -0.047 0.000 1.121 1127 A HN 1.253 nan 8.150 nan 0.000 0.496 1128 I N -0.756 119.879 120.570 0.108 0.000 2.846 1128 I HA 0.773 4.943 4.170 0.000 0.000 0.307 1128 I C 0.134 176.396 176.117 0.243 0.000 1.053 1128 I CA -0.476 60.909 61.300 0.141 0.000 1.050 1128 I CB 2.264 40.338 38.000 0.122 0.000 1.239 1128 I HN 0.784 nan 8.210 nan 0.000 0.439 1129 G N 4.472 113.414 108.800 0.236 0.000 2.704 1129 G HA2 0.606 4.566 3.960 0.000 0.000 0.293 1129 G HA3 0.606 4.566 3.960 0.000 0.000 0.293 1129 G C -1.616 173.358 174.900 0.123 0.000 1.421 1129 G CA -0.399 44.866 45.100 0.274 0.000 0.870 1129 G HN 0.753 nan 8.290 nan 0.000 0.492 1130 V N -2.268 117.658 119.914 0.020 0.000 3.102 1130 V HA 0.965 5.085 4.120 0.000 0.000 0.312 1130 V C -0.407 175.550 176.094 -0.230 0.000 1.135 1130 V CA -0.706 61.523 62.300 -0.119 0.000 1.022 1130 V CB 1.546 33.242 31.823 -0.211 0.000 1.056 1130 V HN 1.078 nan 8.190 nan 0.000 0.436 1131 T N 1.362 115.741 114.554 -0.293 0.000 2.906 1131 T HA 0.896 5.246 4.350 0.000 0.000 0.295 1131 T C -1.428 173.122 174.700 -0.249 0.000 1.061 1131 T CA -0.185 61.703 62.100 -0.354 0.000 1.000 1131 T CB 1.543 70.281 68.868 -0.218 0.000 1.103 1131 T HN 1.677 nan 8.240 nan 0.000 0.486 1132 Y N -0.106 120.147 120.300 -0.079 0.000 2.779 1132 Y HA 0.652 5.202 4.550 0.000 0.000 0.340 1132 Y C -1.788 174.176 175.900 0.107 0.000 1.252 1132 Y CA -1.482 56.638 58.100 0.033 0.000 1.072 1132 Y CB 0.331 38.884 38.460 0.155 0.000 1.343 1132 Y HN 0.355 nan 8.280 nan 0.000 0.450 1133 D N 1.158 121.808 120.400 0.416 0.000 2.280 1133 D HA 0.486 5.126 4.640 0.000 0.000 0.236 1133 D C -0.496 176.232 176.300 0.714 0.000 1.082 1133 D CA -0.029 54.219 54.000 0.413 0.000 0.834 1133 D CB 2.062 42.978 40.800 0.193 0.000 1.100 1133 D HN 0.721 nan 8.370 nan 0.000 0.486 1134 T N 1.274 116.232 114.554 0.673 0.000 2.718 1134 T HA 0.771 5.121 4.350 0.000 0.000 0.267 1134 T C -0.818 174.092 174.700 0.350 0.000 0.957 1134 T CA -0.481 62.014 62.100 0.658 0.000 1.025 1134 T CB 0.734 70.024 68.868 0.703 0.000 1.355 1134 T HN 0.188 nan 8.240 nan 0.000 0.572 1135 L N 1.427 122.736 121.223 0.143 0.000 2.354 1135 L HA 0.740 5.080 4.340 0.000 0.000 0.264 1135 L C -0.572 176.323 176.870 0.042 0.000 1.008 1135 L CA -0.881 53.876 54.840 -0.138 0.000 0.819 1135 L CB 2.442 44.199 42.059 -0.504 0.000 1.339 1135 L HN 0.811 nan 8.230 nan 0.000 0.420 1136 S N 0.482 116.078 115.700 -0.175 0.000 2.595 1136 S HA 0.881 5.351 4.470 0.000 0.000 0.281 1136 S C -0.825 173.432 174.600 -0.571 0.000 1.117 1136 S CA -0.741 57.299 58.200 -0.267 0.000 0.873 1136 S CB 2.068 65.176 63.200 -0.154 0.000 1.108 1136 S HN 0.572 nan 8.310 nan 0.000 0.477 1137 V N -0.870 118.612 119.914 -0.721 0.000 2.960 1137 V HA 0.619 4.739 4.120 0.000 0.000 0.315 1137 V C -0.526 175.339 176.094 -0.382 0.000 1.087 1137 V CA -0.838 61.052 62.300 -0.684 0.000 0.982 1137 V CB 1.641 32.780 31.823 -1.140 0.000 1.039 1137 V HN 1.131 nan 8.190 nan 0.000 0.437 1138 H N 2.452 121.352 119.070 -0.284 0.000 2.846 1138 H HA 0.541 5.097 4.556 0.000 0.000 0.278 1138 H C 0.979 176.212 175.328 -0.158 0.000 1.117 1138 H CA 0.483 56.418 56.048 -0.189 0.000 1.406 1138 H CB 1.417 31.108 29.762 -0.119 0.000 1.445 1138 H HN 1.019 nan 8.280 nan 0.000 0.469 1139 A N 8.121 130.805 122.820 -0.227 0.000 1.851 1139 A HA -0.098 4.222 4.320 0.000 0.000 0.216 1139 A C -0.478 177.184 177.584 0.130 0.000 1.195 1139 A CA 1.166 53.067 52.037 -0.228 0.000 0.622 1139 A CB -1.220 17.464 19.000 -0.527 0.000 0.831 1139 A HN 0.594 nan 8.150 nan 0.000 0.444 1140 P HA -0.130 nan 4.420 nan 0.000 0.216 1140 P C 1.017 178.414 177.300 0.161 0.000 1.153 1140 P CA 1.523 64.685 63.100 0.103 0.000 0.848 1140 P CB -0.149 31.565 31.700 0.024 0.000 0.787 1141 K N -1.530 118.989 120.400 0.198 0.000 2.148 1141 K HA -0.154 4.166 4.320 0.000 0.000 0.204 1141 K C 2.334 179.045 176.600 0.185 0.000 1.050 1141 K CA 1.001 57.324 56.287 0.060 0.000 0.942 1141 K CB -0.604 31.766 32.500 -0.216 0.000 0.724 1141 K HN 0.097 nan 8.250 nan 0.000 0.446 1142 Y N 1.043 121.420 120.300 0.129 0.000 2.200 1142 Y HA -0.294 4.257 4.550 0.000 0.000 0.290 1142 Y C 2.182 178.218 175.900 0.226 0.000 1.137 1142 Y CA 1.171 59.377 58.100 0.177 0.000 1.163 1142 Y CB -0.331 38.223 38.460 0.155 0.000 0.988 1142 Y HN 0.030 nan 8.280 nan 0.000 0.518 1143 C N 0.397 119.874 119.300 0.296 0.000 2.425 1143 C HA -0.205 4.255 4.460 0.000 0.000 0.277 1143 C C 2.573 177.590 174.990 0.044 0.000 1.280 1143 C CA 1.411 60.520 59.018 0.151 0.000 1.744 1143 C CB -1.183 26.679 27.740 0.202 0.000 1.989 1143 C HN 0.621 nan 8.230 nan 0.000 0.491 1144 Q N -0.862 118.971 119.800 0.055 0.000 2.119 1144 Q HA -0.208 4.132 4.340 0.000 0.000 0.201 1144 Q C 2.006 177.994 176.000 -0.021 0.000 0.972 1144 Q CA 1.703 57.505 55.803 -0.001 0.000 0.847 1144 Q CB -0.354 28.387 28.738 0.006 0.000 0.903 1144 Q HN 0.859 nan 8.270 nan 0.000 0.433 1145 Y N 1.427 121.645 120.300 -0.137 0.000 2.097 1145 Y HA -0.241 4.309 4.550 0.000 0.000 0.282 1145 Y C 1.732 177.491 175.900 -0.235 0.000 1.152 1145 Y CA 1.478 59.433 58.100 -0.242 0.000 1.136 1145 Y CB -0.367 37.837 38.460 -0.427 0.000 0.975 1145 Y HN -0.004 nan 8.280 nan 0.000 0.498 1146 L N 0.053 120.979 121.223 -0.495 0.000 2.042 1146 L HA -0.253 4.087 4.340 0.000 0.000 0.210 1146 L C 2.817 179.546 176.870 -0.235 0.000 1.076 1146 L CA 1.287 55.850 54.840 -0.463 0.000 0.749 1146 L CB -1.120 40.794 42.059 -0.242 0.000 0.893 1146 L HN 0.392 nan 8.230 nan 0.000 0.432 1147 A N 0.056 122.814 122.820 -0.103 0.000 1.933 1147 A HA -0.193 4.127 4.320 0.000 0.000 0.218 1147 A C 2.394 179.959 177.584 -0.032 0.000 1.175 1147 A CA 1.391 53.444 52.037 0.027 0.000 0.628 1147 A CB -0.437 18.498 19.000 -0.109 0.000 0.814 1147 A HN 0.331 nan 8.150 nan 0.000 0.444 1148 R N -0.495 119.929 120.500 -0.127 0.000 2.081 1148 R HA -0.097 4.243 4.340 0.000 0.000 0.235 1148 R C 1.983 178.209 176.300 -0.123 0.000 1.131 1148 R CA 1.283 57.320 56.100 -0.105 0.000 0.960 1148 R CB -0.263 29.979 30.300 -0.097 0.000 0.856 1148 R HN 0.487 nan 8.270 nan 0.000 0.436 1149 E N 0.989 121.036 120.200 -0.255 0.000 2.077 1149 E HA -0.168 4.182 4.350 0.000 0.000 0.193 1149 E C 2.149 178.689 176.600 -0.099 0.000 0.989 1149 E CA 0.977 57.242 56.400 -0.226 0.000 0.800 1149 E CB -0.220 29.239 29.700 -0.401 0.000 0.746 1149 E HN 0.336 nan 8.360 nan 0.000 0.452 1150 L N 0.888 122.076 121.223 -0.058 0.000 2.046 1150 L HA -0.234 4.106 4.340 0.000 0.000 0.208 1150 L C 2.703 179.601 176.870 0.046 0.000 1.077 1150 L CA 1.276 56.118 54.840 0.002 0.000 0.747 1150 L CB -0.363 41.729 42.059 0.056 0.000 0.896 1150 L HN 0.140 nan 8.230 nan 0.000 0.432 1151 Q N -0.064 119.794 119.800 0.096 0.000 2.077 1151 Q HA -0.280 4.060 4.340 0.000 0.000 0.206 1151 Q C 2.247 178.268 176.000 0.034 0.000 0.989 1151 Q CA 1.778 57.635 55.803 0.090 0.000 0.853 1151 Q CB -0.142 28.636 28.738 0.067 0.000 0.907 1151 Q HN 0.462 nan 8.270 nan 0.000 0.418 1152 K N 0.404 120.808 120.400 0.006 0.000 2.103 1152 K HA -0.104 4.216 4.320 0.000 0.000 0.207 1152 K C 1.774 178.373 176.600 -0.002 0.000 1.048 1152 K CA 0.896 57.182 56.287 -0.002 0.000 0.930 1152 K CB -0.060 32.432 32.500 -0.014 0.000 0.716 1152 K HN 0.210 nan 8.250 nan 0.000 0.444 1153 L N -0.079 121.140 121.223 -0.006 0.000 2.627 1153 L HA 0.080 4.420 4.340 0.000 0.000 0.233 1153 L C 0.975 177.841 176.870 -0.007 0.000 1.144 1153 L CA 0.317 55.152 54.840 -0.009 0.000 0.892 1153 L CB -0.090 41.961 42.059 -0.014 0.000 1.039 1153 L HN 0.486 nan 8.230 nan 0.000 0.442 1154 G N -0.119 108.682 108.800 0.003 0.000 2.157 1154 G HA2 -0.247 3.713 3.960 0.000 0.000 0.239 1154 G HA3 -0.247 3.713 3.960 0.000 0.000 0.239 1154 G C 0.391 175.291 174.900 0.000 0.000 0.982 1154 G CA -0.019 45.085 45.100 0.006 0.000 0.650 1154 G HN 0.487 nan 8.290 nan 0.000 0.527 1155 A N 0.136 122.943 122.820 -0.022 0.000 2.386 1155 A HA 0.801 5.121 4.320 0.000 0.000 0.248 1155 A C 0.830 178.380 177.584 -0.058 0.000 1.082 1155 A CA 1.186 53.171 52.037 -0.087 0.000 0.789 1155 A CB 0.443 19.328 19.000 -0.193 0.000 1.025 1155 A HN 1.733 nan 8.150 nan 0.000 0.490 1156 T N -1.477 113.024 114.554 -0.087 0.000 2.930 1156 T HA 0.784 5.135 4.350 0.000 0.000 0.290 1156 T C -0.729 173.850 174.700 -0.201 0.000 1.052 1156 T CA -0.500 61.637 62.100 0.062 0.000 1.017 1156 T CB 1.066 70.068 68.868 0.223 0.000 1.137 1156 T HN 0.332 nan 8.240 nan 0.000 0.511 1157 F N -0.026 119.910 119.950 -0.024 0.000 2.563 1157 F HA 0.729 5.256 4.527 0.000 0.000 0.316 1157 F C 0.183 175.928 175.800 -0.093 0.000 1.076 1157 F CA -0.791 57.120 58.000 -0.148 0.000 0.921 1157 F CB 2.396 41.342 39.000 -0.090 0.000 1.209 1157 F HN 0.838 nan 8.300 nan 0.000 0.462 1158 E N 2.141 122.341 120.200 0.000 0.000 2.321 1158 E HA 0.348 4.698 4.350 0.000 0.000 0.281 1158 E C -1.311 175.290 176.600 0.003 0.000 0.910 1158 E CA -0.851 55.576 56.400 0.045 0.000 0.770 1158 E CB 1.537 31.312 29.700 0.125 0.000 1.225 1158 E HN 0.612 nan 8.360 nan 0.000 0.417 1159 R N 3.130 123.639 120.500 0.015 0.000 2.347 1159 R HA 0.369 4.709 4.340 0.000 0.000 0.304 1159 R C -0.085 176.211 176.300 -0.008 0.000 1.072 1159 R CA 0.081 56.175 56.100 -0.010 0.000 0.980 1159 R CB 0.884 31.177 30.300 -0.012 0.000 0.986 1159 R HN 0.424 nan 8.270 nan 0.000 0.448 1160 R N 1.360 121.847 120.500 -0.022 0.000 2.594 1160 R HA 0.210 4.550 4.340 0.000 0.000 0.265 1160 R C -1.539 174.746 176.300 -0.024 0.000 1.070 1160 R CA -0.438 55.653 56.100 -0.015 0.000 0.909 1160 R CB 2.196 32.491 30.300 -0.009 0.000 1.243 1160 R HN 0.469 nan 8.270 nan 0.000 0.455 1161 T N 3.147 117.693 114.554 -0.015 0.000 2.788 1161 T HA 0.305 4.655 4.350 0.000 0.000 0.296 1161 T C -0.510 174.186 174.700 -0.007 0.000 1.009 1161 T CA -0.434 61.658 62.100 -0.014 0.000 0.949 1161 T CB 1.216 70.079 68.868 -0.008 0.000 0.946 1161 T HN 0.198 nan 8.240 nan 0.000 0.453 1162 V N 4.003 123.911 119.914 -0.010 0.000 2.567 1162 V HA 0.354 4.474 4.120 0.000 0.000 0.289 1162 V C 1.549 177.644 176.094 0.003 0.000 1.049 1162 V CA -0.179 62.119 62.300 -0.003 0.000 0.969 1162 V CB 1.526 33.343 31.823 -0.010 0.000 0.995 1162 V HN 1.096 nan 8.190 nan 0.000 0.471 1163 T N -0.847 113.713 114.554 0.009 0.000 2.959 1163 T HA 0.246 4.596 4.350 0.000 0.000 0.254 1163 T C 0.522 175.233 174.700 0.018 0.000 1.003 1163 T CA 0.293 62.399 62.100 0.011 0.000 0.950 1163 T CB 0.469 69.342 68.868 0.008 0.000 1.090 1163 T HN 0.559 nan 8.240 nan 0.000 0.503 1164 S N -0.539 115.177 115.700 0.027 0.000 2.535 1164 S HA 0.521 4.991 4.470 0.000 0.000 0.272 1164 S C 0.361 175.000 174.600 0.065 0.000 1.149 1164 S CA -0.781 57.442 58.200 0.039 0.000 0.888 1164 S CB 1.244 64.464 63.200 0.032 0.000 1.110 1164 S HN 0.252 nan 8.310 nan 0.000 0.463 1165 L N 2.944 124.224 121.223 0.094 0.000 2.127 1165 L HA -0.104 4.236 4.340 0.000 0.000 0.211 1165 L C 2.710 179.730 176.870 0.251 0.000 1.089 1165 L CA 1.715 56.660 54.840 0.175 0.000 0.757 1165 L CB -0.329 41.861 42.059 0.218 0.000 0.899 1165 L HN 0.839 nan 8.230 nan 0.000 0.434 1166 E N 0.229 120.527 120.200 0.163 0.000 2.267 1166 E HA -0.293 4.057 4.350 0.000 0.000 0.197 1166 E C 1.689 178.378 176.600 0.148 0.000 0.998 1166 E CA 1.291 57.791 56.400 0.167 0.000 0.830 1166 E CB -0.432 29.313 29.700 0.074 0.000 0.751 1166 E HN 0.602 nan 8.360 nan 0.000 0.491 1167 Q N 0.317 120.174 119.800 0.096 0.000 2.291 1167 Q HA 0.042 4.382 4.340 0.000 0.000 0.205 1167 Q C 2.039 178.058 176.000 0.033 0.000 0.970 1167 Q CA 1.598 57.434 55.803 0.055 0.000 0.876 1167 Q CB -0.061 28.697 28.738 0.034 0.000 0.935 1167 Q HN 0.490 nan 8.270 nan 0.000 0.455 1168 A N -0.215 122.614 122.820 0.015 0.000 2.030 1168 A HA 0.047 4.367 4.320 0.000 0.000 0.215 1168 A C 0.753 178.206 177.584 -0.218 0.000 1.164 1168 A CA 0.055 52.018 52.037 -0.123 0.000 0.697 1168 A CB -0.040 18.825 19.000 -0.224 0.000 0.827 1168 A HN 0.270 nan 8.150 nan 0.000 0.457 1169 F N 2.169 122.116 119.950 -0.004 0.000 2.859 1169 F HA 0.110 4.637 4.527 0.000 0.000 0.315 1169 F C -0.071 175.727 175.800 -0.003 0.000 1.207 1169 F CA -0.536 57.460 58.000 -0.007 0.000 1.370 1169 F CB 0.026 39.019 39.000 -0.012 0.000 1.314 1169 F HN 0.253 nan 8.300 nan 0.000 0.555 1170 D N -0.587 119.849 120.400 0.061 0.000 2.456 1170 D HA 0.341 4.981 4.640 0.000 0.000 0.219 1170 D C 1.172 177.483 176.300 0.018 0.000 1.126 1170 D CA -0.655 53.369 54.000 0.040 0.000 0.890 1170 D CB 0.877 41.693 40.800 0.027 0.000 1.025 1170 D HN 0.387 nan 8.370 nan 0.000 0.511 1171 G N 1.032 109.847 108.800 0.025 0.000 2.162 1171 G HA2 0.037 3.997 3.960 0.000 0.000 0.260 1171 G HA3 0.037 3.997 3.960 0.000 0.000 0.260 1171 G C 0.244 175.157 174.900 0.023 0.000 0.976 1171 G CA 0.175 45.277 45.100 0.003 0.000 0.655 1171 G HN 1.204 nan 8.290 nan 0.000 0.533 1172 A N -1.030 121.820 122.820 0.050 0.000 2.587 1172 A HA 0.708 5.028 4.320 0.000 0.000 0.293 1172 A C 0.033 177.707 177.584 0.151 0.000 1.087 1172 A CA 0.213 52.288 52.037 0.064 0.000 0.692 1172 A CB 0.923 19.936 19.000 0.020 0.000 1.291 1172 A HN -0.020 nan 8.150 nan 0.000 0.407 1173 D N 0.215 120.684 120.400 0.116 0.000 2.349 1173 D HA 0.189 4.829 4.640 0.000 0.000 0.214 1173 D C -0.295 176.141 176.300 0.227 0.000 1.063 1173 D CA 0.739 54.855 54.000 0.193 0.000 0.847 1173 D CB 0.600 41.475 40.800 0.126 0.000 0.933 1173 D HN 0.354 nan 8.370 nan 0.000 0.513 1174 L N 0.664 121.940 121.223 0.089 0.000 2.438 1174 L HA 0.418 4.758 4.340 0.000 0.000 0.270 1174 L C -1.526 175.296 176.870 -0.080 0.000 0.972 1174 L CA -0.592 54.286 54.840 0.064 0.000 0.831 1174 L CB 2.285 44.279 42.059 -0.109 0.000 1.273 1174 L HN -0.370 nan 8.230 nan 0.000 0.405 1175 V N 5.005 124.808 119.914 -0.185 0.000 2.604 1175 V HA 0.441 4.561 4.120 0.000 0.000 0.305 1175 V C -0.392 175.585 176.094 -0.194 0.000 1.043 1175 V CA -0.684 61.390 62.300 -0.377 0.000 0.888 1175 V CB 2.229 33.547 31.823 -0.843 0.000 0.995 1175 V HN 0.464 nan 8.190 nan 0.000 0.429 1176 V N 4.464 124.275 119.914 -0.172 0.000 2.385 1176 V HA 0.257 4.377 4.120 0.000 0.000 0.269 1176 V C 0.556 176.596 176.094 -0.090 0.000 1.043 1176 V CA -0.379 61.852 62.300 -0.116 0.000 0.906 1176 V CB 1.124 32.879 31.823 -0.114 0.000 0.995 1176 V HN 0.926 nan 8.190 nan 0.000 0.467 1177 N N 4.424 123.102 118.700 -0.036 0.000 2.521 1177 N HA 0.392 5.132 4.740 0.000 0.000 0.236 1177 N C 0.007 175.606 175.510 0.148 0.000 1.067 1177 N CA -0.279 52.793 53.050 0.038 0.000 0.939 1177 N CB 0.854 39.397 38.487 0.094 0.000 1.201 1177 N HN 0.777 nan 8.380 nan 0.000 0.511 1178 A N 3.034 125.905 122.820 0.084 0.000 3.154 1178 A HA 0.159 4.479 4.320 0.000 0.000 0.310 1178 A C 0.953 178.602 177.584 0.110 0.000 1.093 1178 A CA -0.545 51.573 52.037 0.135 0.000 1.006 1178 A CB -0.400 18.640 19.000 0.067 0.000 1.084 1178 A HN 0.679 nan 8.150 nan 0.000 0.549 1179 T N -3.533 111.064 114.554 0.071 0.000 3.122 1179 T HA 0.437 4.787 4.350 0.000 0.000 0.250 1179 T C 1.405 176.141 174.700 0.059 0.000 1.067 1179 T CA 0.927 63.041 62.100 0.024 0.000 0.966 1179 T CB -0.149 68.687 68.868 -0.054 0.000 1.002 1179 T HN 1.731 nan 8.240 nan 0.000 0.542 1180 G N 2.622 111.508 108.800 0.144 0.000 2.622 1180 G HA2 -0.350 3.610 3.960 0.000 0.000 0.307 1180 G HA3 -0.350 3.610 3.960 0.000 0.000 0.307 1180 G C 0.733 175.696 174.900 0.105 0.000 1.226 1180 G CA 0.431 45.643 45.100 0.187 0.000 0.997 1180 G HN 0.492 nan 8.290 nan 0.000 0.551 1181 L N 1.949 123.240 121.223 0.114 0.000 2.265 1181 L HA 0.082 4.422 4.340 0.000 0.000 0.215 1181 L C 3.182 180.112 176.870 0.100 0.000 1.117 1181 L CA 1.366 56.272 54.840 0.110 0.000 0.782 1181 L CB -0.780 41.353 42.059 0.125 0.000 0.914 1181 L HN 0.704 nan 8.230 nan 0.000 0.441 1182 G N -0.311 108.526 108.800 0.062 0.000 2.498 1182 G HA2 -0.197 3.763 3.960 0.000 0.000 0.219 1182 G HA3 -0.197 3.763 3.960 0.000 0.000 0.219 1182 G C 1.746 176.617 174.900 -0.048 0.000 1.119 1182 G CA 0.684 45.803 45.100 0.031 0.000 0.766 1182 G HN 0.463 nan 8.290 nan 0.000 0.552 1183 A N 0.701 123.413 122.820 -0.180 0.000 2.024 1183 A HA -0.042 4.278 4.320 0.000 0.000 0.220 1183 A C 2.149 179.651 177.584 -0.137 0.000 1.164 1183 A CA 2.026 53.871 52.037 -0.321 0.000 0.643 1183 A CB -0.338 18.064 19.000 -0.997 0.000 0.806 1183 A HN 0.448 nan 8.150 nan 0.000 0.451 1184 K N -0.488 119.891 120.400 -0.034 0.000 2.148 1184 K HA -0.026 4.294 4.320 0.000 0.000 0.204 1184 K C 1.159 177.774 176.600 0.024 0.000 1.050 1184 K CA 1.578 57.883 56.287 0.029 0.000 0.942 1184 K CB -0.059 32.499 32.500 0.098 0.000 0.724 1184 K HN 0.377 nan 8.250 nan 0.000 0.446 1185 S N 0.104 115.815 115.700 0.019 0.000 2.559 1185 S HA 0.287 4.757 4.470 0.000 0.000 0.226 1185 S C 0.092 174.697 174.600 0.008 0.000 1.000 1185 S CA -0.479 57.730 58.200 0.014 0.000 0.948 1185 S CB 0.348 63.557 63.200 0.015 0.000 0.870 1185 S HN 0.156 nan 8.310 nan 0.000 0.497 1186 I N 2.765 123.337 120.570 0.003 0.000 2.352 1186 I HA 0.286 4.456 4.170 0.000 0.000 0.290 1186 I C 0.605 176.735 176.117 0.022 0.000 1.036 1186 I CA -0.638 60.668 61.300 0.010 0.000 1.336 1186 I CB 0.899 38.902 38.000 0.004 0.000 1.407 1186 I HN 0.105 nan 8.210 nan 0.000 0.497 1187 A N 4.956 127.791 122.820 0.025 0.000 2.546 1187 A HA 0.430 4.750 4.320 0.000 0.000 0.243 1187 A C 1.275 178.886 177.584 0.044 0.000 1.063 1187 A CA 0.693 52.748 52.037 0.029 0.000 0.757 1187 A CB -0.248 18.766 19.000 0.023 0.000 0.991 1187 A HN 1.214 nan 8.150 nan 0.000 0.503 1188 G N 1.252 110.079 108.800 0.046 0.000 2.194 1188 G HA2 -0.246 3.714 3.960 0.000 0.000 0.236 1188 G HA3 -0.246 3.714 3.960 0.000 0.000 0.236 1188 G C 0.626 175.581 174.900 0.092 0.000 0.987 1188 G CA 0.577 45.714 45.100 0.062 0.000 0.635 1188 G HN 0.722 nan 8.290 nan 0.000 0.520 1189 I N -0.720 119.899 120.570 0.082 0.000 3.393 1189 I HA 0.214 4.384 4.170 0.000 0.000 0.250 1189 I C 0.963 177.111 176.117 0.051 0.000 1.122 1189 I CA 0.439 61.795 61.300 0.094 0.000 1.484 1189 I CB -0.020 38.025 38.000 0.075 0.000 1.468 1189 I HN 0.013 nan 8.210 nan 0.000 0.461 1190 D N 2.219 122.637 120.400 0.030 0.000 2.772 1190 D HA -0.194 4.447 4.640 0.000 0.000 0.233 1190 D C -0.227 176.093 176.300 0.034 0.000 1.143 1190 D CA 0.817 54.834 54.000 0.028 0.000 0.700 1190 D CB -1.212 39.606 40.800 0.029 0.000 1.076 1190 D HN 0.332 nan 8.370 nan 0.000 0.430 1191 D N 1.019 121.440 120.400 0.035 0.000 2.374 1191 D HA 0.050 4.690 4.640 0.000 0.000 0.240 1191 D C 1.504 177.849 176.300 0.074 0.000 1.229 1191 D CA -0.071 53.968 54.000 0.066 0.000 0.895 1191 D CB 0.718 41.598 40.800 0.132 0.000 1.046 1191 D HN -0.009 nan 8.370 nan 0.000 0.498 1192 Q N 2.517 122.354 119.800 0.062 0.000 2.437 1192 Q HA -0.041 4.299 4.340 0.000 0.000 0.210 1192 Q C 1.495 177.541 176.000 0.077 0.000 0.972 1192 Q CA 0.538 56.382 55.803 0.067 0.000 0.903 1192 Q CB -0.026 28.742 28.738 0.049 0.000 0.967 1192 Q HN 0.601 nan 8.270 nan 0.000 0.486 1193 A N 0.730 123.595 122.820 0.074 0.000 2.119 1193 A HA 0.275 4.595 4.320 0.000 0.000 0.216 1193 A C 1.173 178.809 177.584 0.086 0.000 1.152 1193 A CA 0.547 52.623 52.037 0.065 0.000 0.708 1193 A CB -0.187 18.837 19.000 0.040 0.000 0.805 1193 A HN 0.251 nan 8.150 nan 0.000 0.460 1194 A N 0.994 123.890 122.820 0.128 0.000 2.511 1194 A HA 0.449 4.769 4.320 0.000 0.000 0.242 1194 A C 0.203 177.848 177.584 0.103 0.000 1.069 1194 A CA 0.460 52.580 52.037 0.137 0.000 0.763 1194 A CB -0.167 18.926 19.000 0.155 0.000 1.001 1194 A HN 0.685 nan 8.150 nan 0.000 0.498 1195 E N 2.179 122.405 120.200 0.043 0.000 2.352 1195 E HA 0.580 4.930 4.350 0.000 0.000 0.280 1195 E C -3.235 173.266 176.600 -0.165 0.000 0.930 1195 E CA -2.173 54.211 56.400 -0.027 0.000 0.765 1195 E CB 2.212 31.912 29.700 0.001 0.000 1.219 1195 E HN 0.384 nan 8.360 nan 0.000 0.434 1196 P HA 0.292 nan 4.420 nan 0.000 0.277 1196 P C -0.395 176.755 177.300 -0.249 0.000 1.240 1196 P CA -0.401 62.422 63.100 -0.462 0.000 0.798 1196 P CB 1.017 32.133 31.700 -0.972 0.000 0.979 1197 I N 1.618 122.097 120.570 -0.152 0.000 2.466 1197 I HA 0.351 4.521 4.170 0.000 0.000 0.279 1197 I C 0.859 176.931 176.117 -0.076 0.000 1.033 1197 I CA -0.876 60.383 61.300 -0.068 0.000 1.123 1197 I CB 1.550 39.564 38.000 0.024 0.000 1.237 1197 I HN 0.254 nan 8.210 nan 0.000 0.460 1198 R N 4.400 124.840 120.500 -0.100 0.000 2.491 1198 R HA 0.487 4.827 4.340 0.000 0.000 0.283 1198 R C -0.048 176.176 176.300 -0.125 0.000 1.072 1198 R CA -0.063 55.968 56.100 -0.115 0.000 1.048 1198 R CB 0.907 31.148 30.300 -0.098 0.000 0.983 1198 R HN 0.803 nan 8.270 nan 0.000 0.450 1199 G N 3.667 112.382 108.800 -0.142 0.000 2.675 1199 G HA2 0.159 4.119 3.960 0.000 0.000 0.297 1199 G HA3 0.159 4.119 3.960 0.000 0.000 0.297 1199 G C -1.398 173.412 174.900 -0.150 0.000 1.399 1199 G CA -0.499 44.502 45.100 -0.166 0.000 0.981 1199 G HN 0.623 nan 8.290 nan 0.000 0.519 1200 Q N 1.199 120.909 119.800 -0.150 0.000 2.241 1200 Q HA 0.690 5.030 4.340 0.000 0.000 0.254 1200 Q C -0.041 175.891 176.000 -0.112 0.000 0.917 1200 Q CA -0.522 55.207 55.803 -0.124 0.000 0.919 1200 Q CB 1.434 30.110 28.738 -0.104 0.000 1.237 1200 Q HN 0.627 nan 8.270 nan 0.000 0.434 1201 T N -1.035 113.481 114.554 -0.063 0.000 2.841 1201 T HA 0.652 5.002 4.350 0.000 0.000 0.296 1201 T C -0.975 173.722 174.700 -0.005 0.000 1.166 1201 T CA -0.755 61.314 62.100 -0.052 0.000 1.007 1201 T CB 1.339 70.211 68.868 0.007 0.000 1.253 1201 T HN 0.303 nan 8.240 nan 0.000 0.511 1202 V N 2.012 121.908 119.914 -0.031 0.000 2.409 1202 V HA 0.554 4.674 4.120 0.000 0.000 0.291 1202 V C -0.465 175.585 176.094 -0.073 0.000 1.020 1202 V CA -0.884 61.376 62.300 -0.068 0.000 0.848 1202 V CB 1.134 32.924 31.823 -0.055 0.000 0.990 1202 V HN 0.932 nan 8.190 nan 0.000 0.430 1203 L N 6.888 128.058 121.223 -0.090 0.000 2.290 1203 L HA 0.652 4.992 4.340 0.000 0.000 0.284 1203 L C -0.354 176.470 176.870 -0.078 0.000 1.078 1203 L CA 0.531 55.335 54.840 -0.060 0.000 0.815 1203 L CB 1.282 43.319 42.059 -0.037 0.000 1.162 1203 L HN 0.466 nan 8.230 nan 0.000 0.435 1204 V N 4.376 124.259 119.914 -0.052 0.000 2.680 1204 V HA 0.452 4.572 4.120 0.000 0.000 0.309 1204 V C -0.454 175.623 176.094 -0.028 0.000 1.052 1204 V CA -1.013 61.261 62.300 -0.043 0.000 0.908 1204 V CB 1.924 33.728 31.823 -0.031 0.000 1.001 1204 V HN 0.706 nan 8.190 nan 0.000 0.431 1205 K N 2.814 123.201 120.400 -0.022 0.000 2.284 1205 K HA 0.616 4.936 4.320 0.000 0.000 0.287 1205 K C -0.508 176.087 176.600 -0.009 0.000 1.081 1205 K CA 0.415 56.694 56.287 -0.013 0.000 0.910 1205 K CB 0.803 33.296 32.500 -0.011 0.000 1.088 1205 K HN 0.795 nan 8.250 nan 0.000 0.478 1206 S N 4.674 120.370 115.700 -0.006 0.000 2.535 1206 S HA 0.433 4.903 4.470 0.000 0.000 0.272 1206 S C -2.447 172.152 174.600 -0.002 0.000 1.149 1206 S CA -1.090 57.108 58.200 -0.003 0.000 0.888 1206 S CB 1.287 64.486 63.200 -0.001 0.000 1.110 1206 S HN 0.562 nan 8.310 nan 0.000 0.463 1207 P HA 0.137 nan 4.420 nan 0.000 0.245 1207 P C 0.829 178.130 177.300 0.002 0.000 1.212 1207 P CA -0.049 63.050 63.100 -0.000 0.000 0.774 1207 P CB -0.760 30.939 31.700 -0.001 0.000 0.999 1208 C N 2.321 121.624 119.300 0.005 0.000 2.419 1208 C HA 0.011 4.471 4.460 0.000 0.000 0.398 1208 C C 1.572 176.567 174.990 0.009 0.000 1.498 1208 C CA 0.234 59.257 59.018 0.009 0.000 1.494 1208 C CB -0.952 26.796 27.740 0.012 0.000 2.485 1208 C HN 0.176 nan 8.230 nan 0.000 0.608 1209 K N 4.203 124.609 120.400 0.011 0.000 2.414 1209 K HA 0.128 4.448 4.320 0.000 0.000 0.204 1209 K C 0.487 177.098 176.600 0.019 0.000 1.026 1209 K CA -0.018 56.278 56.287 0.015 0.000 1.108 1209 K CB 0.195 32.705 32.500 0.017 0.000 0.855 1209 K HN 0.706 nan 8.250 nan 0.000 0.517 1210 R N 0.792 121.300 120.500 0.015 0.000 2.265 1210 R HA 0.178 4.518 4.340 0.000 0.000 0.319 1210 R C -0.861 175.445 176.300 0.011 0.000 1.006 1210 R CA -0.195 55.910 56.100 0.009 0.000 0.880 1210 R CB 0.861 31.165 30.300 0.008 0.000 1.077 1210 R HN 0.046 nan 8.270 nan 0.000 0.454 1211 C N 3.707 123.007 119.300 0.000 0.000 2.330 1211 C HA 0.617 5.077 4.460 0.000 0.000 0.344 1211 C C -0.551 174.416 174.990 -0.039 0.000 1.273 1211 C CA 0.031 59.051 59.018 0.003 0.000 1.879 1211 C CB 0.480 28.230 27.740 0.017 0.000 2.376 1211 C HN 0.858 nan 8.230 nan 0.000 0.534 1212 T N 8.254 122.806 114.554 -0.003 0.000 2.841 1212 T HA 0.480 4.830 4.350 0.000 0.000 0.285 1212 T C -0.554 174.160 174.700 0.023 0.000 0.991 1212 T CA -0.382 61.692 62.100 -0.043 0.000 0.966 1212 T CB 1.193 70.084 68.868 0.039 0.000 0.962 1212 T HN 0.643 nan 8.240 nan 0.000 0.438 1213 M N 3.432 123.009 119.600 -0.040 0.000 2.044 1213 M HA 0.391 4.871 4.480 0.000 0.000 0.333 1213 M C -0.697 175.669 176.300 0.110 0.000 1.004 1213 M CA -1.047 54.305 55.300 0.086 0.000 0.954 1213 M CB 0.824 33.476 32.600 0.088 0.000 1.468 1213 M HN 0.494 nan 8.290 nan 0.000 0.414 1214 D N 1.489 122.022 120.400 0.222 0.000 2.453 1214 D HA 0.400 5.040 4.640 0.000 0.000 0.238 1214 D C -0.248 176.214 176.300 0.270 0.000 1.088 1214 D CA -0.029 54.164 54.000 0.322 0.000 0.854 1214 D CB 1.073 42.112 40.800 0.398 0.000 1.076 1214 D HN 0.419 nan 8.370 nan 0.000 0.533 1215 S N 1.039 116.896 115.700 0.262 0.000 2.601 1215 S HA -0.003 4.467 4.470 0.000 0.000 0.244 1215 S C 1.525 176.240 174.600 0.192 0.000 1.001 1215 S CA -0.211 58.116 58.200 0.211 0.000 0.984 1215 S CB 0.215 63.519 63.200 0.173 0.000 0.842 1215 S HN 0.513 nan 8.310 nan 0.000 0.474 1216 S N 0.681 116.516 115.700 0.224 0.000 2.527 1216 S HA 0.053 4.523 4.470 0.000 0.000 0.222 1216 S C 0.235 174.909 174.600 0.124 0.000 0.985 1216 S CA 0.043 58.342 58.200 0.164 0.000 0.921 1216 S CB -0.009 63.284 63.200 0.155 0.000 0.772 1216 S HN 0.313 nan 8.310 nan 0.000 0.529 1217 D N 2.193 122.687 120.400 0.157 0.000 2.461 1217 D HA 0.369 5.009 4.640 0.000 0.000 0.240 1217 D C -2.008 174.365 176.300 0.122 0.000 1.094 1217 D CA -2.378 51.693 54.000 0.119 0.000 0.868 1217 D CB 2.030 42.903 40.800 0.122 0.000 1.062 1217 D HN 0.009 nan 8.370 nan 0.000 0.530 1218 P HA 0.003 nan 4.420 nan 0.000 0.230 1218 P C 0.771 178.115 177.300 0.075 0.000 1.158 1218 P CA 0.346 63.492 63.100 0.077 0.000 0.769 1218 P CB 0.334 32.066 31.700 0.053 0.000 0.807 1219 A N -1.181 121.680 122.820 0.070 0.000 2.218 1219 A HA 0.191 4.512 4.320 0.000 0.000 0.209 1219 A C 1.204 178.839 177.584 0.084 0.000 1.168 1219 A CA 0.437 52.510 52.037 0.061 0.000 0.804 1219 A CB -0.203 18.820 19.000 0.038 0.000 0.834 1219 A HN 0.179 nan 8.150 nan 0.000 0.482 1220 S N 0.906 116.685 115.700 0.132 0.000 2.385 1220 S HA 0.455 4.925 4.470 0.000 0.000 0.191 1220 S C -3.208 171.531 174.600 0.232 0.000 1.196 1220 S CA -1.306 57.008 58.200 0.191 0.000 1.178 1220 S CB 0.658 64.000 63.200 0.236 0.000 1.258 1220 S HN 0.046 nan 8.310 nan 0.000 0.430 1221 P HA 0.441 nan 4.420 nan 0.000 0.268 1221 P C -0.947 176.334 177.300 -0.032 0.000 1.204 1221 P CA -0.027 63.168 63.100 0.157 0.000 0.768 1221 P CB 0.821 32.690 31.700 0.281 0.000 0.842 1222 A N 3.355 126.103 122.820 -0.120 0.000 2.549 1222 A HA 0.819 5.139 4.320 0.000 0.000 0.297 1222 A C -1.718 175.828 177.584 -0.064 0.000 1.061 1222 A CA -0.548 51.268 52.037 -0.368 0.000 0.690 1222 A CB 1.245 19.624 19.000 -1.034 0.000 1.287 1222 A HN 0.576 nan 8.150 nan 0.000 0.402 1223 Y N -1.388 118.869 120.300 -0.071 0.000 2.592 1223 Y HA 0.773 5.323 4.550 0.000 0.000 0.334 1223 Y C -1.421 174.471 175.900 -0.013 0.000 1.136 1223 Y CA -1.585 56.510 58.100 -0.007 0.000 1.042 1223 Y CB 0.921 39.410 38.460 0.049 0.000 1.325 1223 Y HN 0.482 nan 8.280 nan 0.000 0.457 1224 I N 4.095 124.795 120.570 0.216 0.000 2.411 1224 I HA 0.446 4.616 4.170 0.000 0.000 0.284 1224 I C -1.042 175.156 176.117 0.136 0.000 1.012 1224 I CA -0.571 60.811 61.300 0.136 0.000 1.119 1224 I CB 1.529 39.572 38.000 0.071 0.000 1.261 1224 I HN 0.574 nan 8.210 nan 0.000 0.448 1225 I N 8.275 128.927 120.570 0.137 0.000 2.464 1225 I HA 0.331 4.501 4.170 0.000 0.000 0.277 1225 I C -2.405 173.724 176.117 0.019 0.000 1.040 1225 I CA -1.919 59.423 61.300 0.069 0.000 1.153 1225 I CB 1.365 39.394 38.000 0.048 0.000 1.274 1225 I HN 0.197 nan 8.210 nan 0.000 0.469 1226 P HA 0.162 nan 4.420 nan 0.000 0.269 1226 P C -0.953 176.318 177.300 -0.048 0.000 1.209 1226 P CA -0.190 62.902 63.100 -0.014 0.000 0.776 1226 P CB 0.516 32.215 31.700 -0.001 0.000 0.876 1227 R N 1.634 122.096 120.500 -0.064 0.000 2.837 1227 R HA 0.680 5.020 4.340 0.000 0.000 0.271 1227 R C -3.032 173.245 176.300 -0.037 0.000 0.993 1227 R CA -2.691 53.353 56.100 -0.093 0.000 0.931 1227 R CB 0.147 30.336 30.300 -0.185 0.000 1.206 1227 R HN 0.114 nan 8.270 nan 0.000 0.474 1228 P HA 0.035 nan 4.420 nan 0.000 0.261 1228 P C 0.349 177.688 177.300 0.064 0.000 1.183 1228 P CA 1.499 64.592 63.100 -0.012 0.000 0.761 1228 P CB 0.630 32.294 31.700 -0.059 0.000 0.785 1229 G N 2.311 111.116 108.800 0.008 0.000 2.205 1229 G HA2 0.068 4.028 3.960 0.000 0.000 0.180 1229 G HA3 0.068 4.028 3.960 0.000 0.000 0.180 1229 G C 0.698 175.605 174.900 0.011 0.000 1.004 1229 G CA 0.172 45.283 45.100 0.019 0.000 0.670 1229 G HN 0.981 nan 8.290 nan 0.000 0.496 1230 G N -0.821 107.980 108.800 0.001 0.000 2.157 1230 G HA2 -0.121 3.839 3.960 0.000 0.000 0.239 1230 G HA3 -0.121 3.839 3.960 0.000 0.000 0.239 1230 G C -0.106 174.793 174.900 -0.002 0.000 0.982 1230 G CA 0.925 46.023 45.100 -0.002 0.000 0.650 1230 G HN 1.011 nan 8.290 nan 0.000 0.527 1231 E N -1.048 119.150 120.200 -0.004 0.000 2.312 1231 E HA 0.685 5.035 4.350 0.000 0.000 0.267 1231 E C -0.889 175.696 176.600 -0.026 0.000 0.894 1231 E CA -0.862 55.529 56.400 -0.016 0.000 0.773 1231 E CB 3.205 32.892 29.700 -0.020 0.000 1.241 1231 E HN 0.511 nan 8.360 nan 0.000 0.432 1232 V N 2.852 122.752 119.914 -0.023 0.000 2.656 1232 V HA 0.501 4.621 4.120 0.000 0.000 0.307 1232 V C -1.210 174.877 176.094 -0.013 0.000 1.051 1232 V CA -0.604 61.688 62.300 -0.014 0.000 0.893 1232 V CB 1.431 33.254 31.823 -0.000 0.000 0.999 1232 V HN 0.592 nan 8.190 nan 0.000 0.426 1233 I N 6.139 126.713 120.570 0.007 0.000 2.315 1233 I HA 0.383 4.553 4.170 0.000 0.000 0.291 1233 I C -0.337 175.821 176.117 0.069 0.000 1.006 1233 I CA -0.161 61.161 61.300 0.037 0.000 1.265 1233 I CB 1.028 39.066 38.000 0.063 0.000 1.387 1233 I HN 0.545 nan 8.210 nan 0.000 0.475 1234 C N 5.424 124.718 119.300 -0.009 0.000 2.303 1234 C HA 0.807 5.267 4.460 0.000 0.000 0.326 1234 C C 0.820 175.648 174.990 -0.270 0.000 1.285 1234 C CA -0.362 58.599 59.018 -0.095 0.000 1.675 1234 C CB 0.140 27.835 27.740 -0.075 0.000 2.289 1234 C HN 0.955 nan 8.230 nan 0.000 0.512 1235 G N 1.360 109.755 108.800 -0.675 0.000 3.015 1235 G HA2 0.903 4.863 3.960 0.000 0.000 0.281 1235 G HA3 0.903 4.863 3.960 0.000 0.000 0.281 1235 G C -0.596 173.815 174.900 -0.814 0.000 1.386 1235 G CA -0.073 44.389 45.100 -1.063 0.000 0.959 1235 G HN 1.148 nan 8.290 nan 0.000 0.522 1236 G N -1.777 106.662 108.800 -0.601 0.000 2.489 1236 G HA2 0.747 4.707 3.960 0.000 0.000 0.305 1236 G HA3 0.747 4.707 3.960 0.000 0.000 0.305 1236 G C -0.828 173.894 174.900 -0.296 0.000 1.311 1236 G CA 0.515 45.294 45.100 -0.535 0.000 0.813 1236 G HN 1.485 nan 8.290 nan 0.000 0.480 1237 T N -2.916 111.435 114.554 -0.338 0.000 2.896 1237 T HA 0.670 5.020 4.350 0.000 0.000 0.297 1237 T C -1.626 172.800 174.700 -0.456 0.000 1.108 1237 T CA -0.652 61.300 62.100 -0.246 0.000 1.004 1237 T CB 2.102 70.885 68.868 -0.141 0.000 1.159 1237 T HN 0.608 nan 8.240 nan 0.000 0.499 1238 Y N 0.259 120.556 120.300 -0.006 0.000 2.584 1238 Y HA 0.519 5.069 4.550 0.000 0.000 0.358 1238 Y C 0.879 176.760 175.900 -0.031 0.000 1.028 1238 Y CA -1.026 57.060 58.100 -0.023 0.000 1.148 1238 Y CB 1.217 39.656 38.460 -0.035 0.000 1.126 1238 Y HN 1.079 nan 8.280 nan 0.000 0.658 1239 G N 1.679 110.502 108.800 0.040 0.000 2.639 1239 G HA2 0.380 4.340 3.960 0.000 0.000 0.312 1239 G HA3 0.380 4.340 3.960 0.000 0.000 0.312 1239 G C -0.266 174.634 174.900 -0.001 0.000 0.911 1239 G CA -0.276 44.833 45.100 0.016 0.000 1.410 1239 G HN 0.269 nan 8.290 nan 0.000 0.469 1240 V N 2.559 122.484 119.914 0.017 0.000 2.529 1240 V HA 0.416 4.536 4.120 0.000 0.000 0.292 1240 V C 1.628 177.716 176.094 -0.010 0.000 1.028 1240 V CA 1.337 63.635 62.300 -0.003 0.000 1.074 1240 V CB 0.648 32.475 31.823 0.008 0.000 0.958 1240 V HN 1.309 nan 8.190 nan 0.000 0.481 1241 G N 3.801 112.572 108.800 -0.048 0.000 2.162 1241 G HA2 -0.229 3.731 3.960 0.000 0.000 0.260 1241 G HA3 -0.229 3.731 3.960 0.000 0.000 0.260 1241 G C 0.051 174.956 174.900 0.008 0.000 0.976 1241 G CA 0.257 45.347 45.100 -0.016 0.000 0.655 1241 G HN 0.769 nan 8.290 nan 0.000 0.533 1242 D N -0.669 119.701 120.400 -0.051 0.000 2.313 1242 D HA 0.447 5.087 4.640 0.000 0.000 0.239 1242 D C 0.652 176.927 176.300 -0.043 0.000 1.142 1242 D CA -0.829 53.181 54.000 0.016 0.000 0.847 1242 D CB 0.348 41.151 40.800 0.004 0.000 1.082 1242 D HN 0.251 nan 8.370 nan 0.000 0.480 1243 W N 1.621 122.923 121.300 0.002 0.000 3.278 1243 W HA 0.105 4.765 4.660 0.000 0.000 0.308 1243 W C 0.516 177.027 176.519 -0.014 0.000 1.253 1243 W CA -0.591 56.754 57.345 0.000 0.000 1.759 1243 W CB 0.243 29.708 29.460 0.008 0.000 1.093 1243 W HN 0.314 nan 8.180 nan 0.000 0.648 1244 D N 1.111 121.607 120.400 0.160 0.000 2.434 1244 D HA -0.004 4.636 4.640 0.000 0.000 0.252 1244 D C 0.817 177.134 176.300 0.029 0.000 1.185 1244 D CA 0.632 54.682 54.000 0.084 0.000 0.886 1244 D CB 0.969 41.795 40.800 0.045 0.000 1.148 1244 D HN 0.121 nan 8.370 nan 0.000 0.483 1245 L N 2.490 123.729 121.223 0.026 0.000 2.592 1245 L HA 0.054 4.394 4.340 0.000 0.000 0.227 1245 L C 1.100 177.939 176.870 -0.051 0.000 1.127 1245 L CA -0.127 54.698 54.840 -0.026 0.000 0.884 1245 L CB -0.209 41.854 42.059 0.006 0.000 1.065 1245 L HN 0.304 nan 8.230 nan 0.000 0.457 1246 S N -0.373 115.309 115.700 -0.031 0.000 2.601 1246 S HA 0.405 4.875 4.470 0.000 0.000 0.271 1246 S C -0.034 174.533 174.600 -0.055 0.000 1.305 1246 S CA -0.733 57.446 58.200 -0.036 0.000 1.022 1246 S CB 1.826 65.013 63.200 -0.021 0.000 0.940 1246 S HN -0.093 nan 8.310 nan 0.000 0.525 1247 V N 3.076 122.954 119.914 -0.060 0.000 2.508 1247 V HA 0.194 4.314 4.120 0.000 0.000 0.281 1247 V C 0.702 176.748 176.094 -0.081 0.000 1.041 1247 V CA -0.439 61.815 62.300 -0.077 0.000 1.016 1247 V CB 0.080 31.849 31.823 -0.090 0.000 0.984 1247 V HN 0.994 nan 8.190 nan 0.000 0.478 1248 N N 6.995 125.648 118.700 -0.078 0.000 2.408 1248 N HA 0.268 5.008 4.740 0.000 0.000 0.257 1248 N C -1.433 174.025 175.510 -0.088 0.000 1.064 1248 N CA -1.498 51.511 53.050 -0.067 0.000 0.952 1248 N CB 1.581 40.037 38.487 -0.050 0.000 1.093 1248 N HN 0.368 nan 8.380 nan 0.000 0.490 1249 P HA -0.112 nan 4.420 nan 0.000 0.220 1249 P C 0.272 177.530 177.300 -0.070 0.000 1.152 1249 P CA 1.190 64.228 63.100 -0.103 0.000 0.812 1249 P CB 0.324 31.972 31.700 -0.087 0.000 0.792 1250 E N -0.310 119.861 120.200 -0.048 0.000 2.106 1250 E HA -0.095 4.255 4.350 0.000 0.000 0.192 1250 E C 1.929 178.512 176.600 -0.028 0.000 0.984 1250 E CA 1.410 57.791 56.400 -0.031 0.000 0.806 1250 E CB -0.660 29.027 29.700 -0.022 0.000 0.750 1250 E HN 0.246 nan 8.360 nan 0.000 0.458 1251 T N 0.992 115.524 114.554 -0.036 0.000 2.788 1251 T HA -0.132 4.218 4.350 0.000 0.000 0.268 1251 T C 2.119 176.800 174.700 -0.031 0.000 1.044 1251 T CA 0.960 63.039 62.100 -0.034 0.000 1.139 1251 T CB -0.213 68.627 68.868 -0.046 0.000 0.867 1251 T HN -0.021 nan 8.240 nan 0.000 0.454 1252 V N 1.824 121.714 119.914 -0.040 0.000 2.252 1252 V HA -0.233 3.887 4.120 0.000 0.000 0.249 1252 V C 2.776 178.873 176.094 0.007 0.000 1.056 1252 V CA 1.646 63.940 62.300 -0.012 0.000 1.022 1252 V CB -0.674 31.110 31.823 -0.065 0.000 0.641 1252 V HN 0.407 nan 8.190 nan 0.000 0.445 1253 Q N -0.145 119.652 119.800 -0.006 0.000 2.050 1253 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 1253 Q C 2.270 178.279 176.000 0.015 0.000 0.980 1253 Q CA 1.864 57.670 55.803 0.006 0.000 0.840 1253 Q CB -0.708 28.029 28.738 -0.002 0.000 0.898 1253 Q HN 0.637 nan 8.270 nan 0.000 0.424 1254 R N 0.358 120.865 120.500 0.012 0.000 2.073 1254 R HA -0.074 4.266 4.340 0.000 0.000 0.234 1254 R C 2.317 178.646 176.300 0.048 0.000 1.134 1254 R CA 1.128 57.247 56.100 0.031 0.000 0.952 1254 R CB -0.261 30.055 30.300 0.027 0.000 0.850 1254 R HN 0.245 nan 8.270 nan 0.000 0.433 1255 I N 0.922 121.498 120.570 0.009 0.000 2.179 1255 I HA -0.317 3.853 4.170 0.000 0.000 0.242 1255 I C 2.269 178.387 176.117 0.002 0.000 1.088 1255 I CA 1.259 62.543 61.300 -0.026 0.000 1.357 1255 I CB -0.213 37.741 38.000 -0.077 0.000 1.051 1255 I HN 0.261 nan 8.210 nan 0.000 0.409 1256 L N 0.288 121.521 121.223 0.017 0.000 2.093 1256 L HA -0.205 4.135 4.340 0.000 0.000 0.208 1256 L C 2.549 179.445 176.870 0.044 0.000 1.085 1256 L CA 1.448 56.303 54.840 0.025 0.000 0.755 1256 L CB -0.594 41.484 42.059 0.032 0.000 0.904 1256 L HN 0.199 nan 8.230 nan 0.000 0.435 1257 K N -0.870 119.562 120.400 0.052 0.000 2.026 1257 K HA -0.229 4.091 4.320 0.000 0.000 0.208 1257 K C 2.092 178.752 176.600 0.100 0.000 1.048 1257 K CA 1.583 57.903 56.287 0.056 0.000 0.929 1257 K CB -0.295 32.227 32.500 0.036 0.000 0.713 1257 K HN 0.401 nan 8.250 nan 0.000 0.439 1258 H N -0.301 118.769 119.070 0.001 0.000 2.326 1258 H HA -0.111 4.445 4.556 0.000 0.000 0.301 1258 H C 2.016 177.356 175.328 0.020 0.000 1.081 1258 H CA 1.265 57.320 56.048 0.010 0.000 1.334 1258 H CB 0.144 29.911 29.762 0.008 0.000 1.385 1258 H HN 0.203 nan 8.280 nan 0.000 0.504 1259 C N 0.475 119.845 119.300 0.118 0.000 2.425 1259 C HA -0.119 4.341 4.460 0.000 0.000 0.277 1259 C C 2.748 177.787 174.990 0.082 0.000 1.280 1259 C CA 0.650 59.702 59.018 0.056 0.000 1.744 1259 C CB -0.998 26.737 27.740 -0.008 0.000 1.989 1259 C HN 0.577 nan 8.230 nan 0.000 0.491 1260 L N 1.035 122.303 121.223 0.074 0.000 2.083 1260 L HA -0.088 4.252 4.340 0.000 0.000 0.209 1260 L C 2.672 179.581 176.870 0.065 0.000 1.083 1260 L CA 1.710 56.585 54.840 0.058 0.000 0.752 1260 L CB -0.570 41.514 42.059 0.042 0.000 0.899 1260 L HN 0.256 nan 8.230 nan 0.000 0.433 1261 R N -0.904 119.645 120.500 0.082 0.000 2.096 1261 R HA -0.123 4.217 4.340 0.000 0.000 0.235 1261 R C 2.181 178.537 176.300 0.093 0.000 1.127 1261 R CA 1.598 57.739 56.100 0.068 0.000 0.968 1261 R CB -0.497 29.833 30.300 0.050 0.000 0.861 1261 R HN 0.387 nan 8.270 nan 0.000 0.440 1262 L N -0.293 121.020 121.223 0.150 0.000 2.156 1262 L HA -0.039 4.302 4.340 0.000 0.000 0.208 1262 L C 0.436 177.384 176.870 0.129 0.000 1.095 1262 L CA 0.802 55.746 54.840 0.173 0.000 0.770 1262 L CB -0.017 42.175 42.059 0.221 0.000 0.914 1262 L HN 0.098 nan 8.230 nan 0.000 0.439 1263 D N -1.893 118.563 120.400 0.093 0.000 2.312 1263 D HA 0.153 4.793 4.640 0.000 0.000 0.229 1263 D C -2.174 174.156 176.300 0.049 0.000 1.337 1263 D CA -1.249 52.792 54.000 0.068 0.000 0.964 1263 D CB 1.568 42.406 40.800 0.064 0.000 1.456 1263 D HN -0.258 nan 8.370 nan 0.000 0.547 1264 P HA -0.072 nan 4.420 nan 0.000 0.225 1264 P C 1.255 178.569 177.300 0.023 0.000 1.148 1264 P CA 1.102 64.219 63.100 0.029 0.000 0.779 1264 P CB 0.080 31.795 31.700 0.024 0.000 0.780 1265 T N -2.979 111.589 114.554 0.023 0.000 3.160 1265 T HA -0.039 4.311 4.350 0.000 0.000 0.257 1265 T C 1.524 176.234 174.700 0.015 0.000 1.147 1265 T CA 0.163 62.273 62.100 0.017 0.000 1.064 1265 T CB -1.352 67.525 68.868 0.016 0.000 0.949 1265 T HN 0.266 nan 8.240 nan 0.000 0.526 1266 I N -1.028 119.553 120.570 0.018 0.000 3.001 1266 I HA 0.192 4.362 4.170 0.000 0.000 0.268 1266 I C 0.924 177.046 176.117 0.009 0.000 1.267 1266 I CA -0.150 61.158 61.300 0.013 0.000 1.472 1266 I CB -0.274 37.736 38.000 0.015 0.000 1.089 1266 I HN 0.161 nan 8.210 nan 0.000 0.468 1267 S N 0.519 116.226 115.700 0.011 0.000 2.638 1267 S HA 0.357 4.827 4.470 0.000 0.000 0.298 1267 S C 1.284 175.888 174.600 0.008 0.000 1.111 1267 S CA -0.094 58.112 58.200 0.009 0.000 1.027 1267 S CB 1.663 64.870 63.200 0.012 0.000 1.064 1267 S HN 0.469 nan 8.310 nan 0.000 0.525 1268 S N 1.691 117.395 115.700 0.006 0.000 2.368 1268 S HA -0.140 4.330 4.470 0.000 0.000 0.225 1268 S C 0.783 175.387 174.600 0.006 0.000 1.030 1268 S CA 1.657 59.860 58.200 0.005 0.000 0.999 1268 S CB -0.488 62.715 63.200 0.005 0.000 0.844 1268 S HN 0.872 nan 8.310 nan 0.000 0.459 1269 D N -1.109 119.295 120.400 0.007 0.000 2.540 1269 D HA 0.305 4.945 4.640 0.000 0.000 0.229 1269 D C 1.094 177.399 176.300 0.009 0.000 1.250 1269 D CA 0.237 54.241 54.000 0.007 0.000 0.817 1269 D CB -0.259 40.544 40.800 0.006 0.000 1.060 1269 D HN 0.609 nan 8.370 nan 0.000 0.508 1270 G N 0.419 109.225 108.800 0.010 0.000 2.143 1270 G HA2 -0.232 3.728 3.960 0.000 0.000 0.248 1270 G HA3 -0.232 3.728 3.960 0.000 0.000 0.248 1270 G C 0.355 175.263 174.900 0.013 0.000 0.991 1270 G CA 0.704 45.811 45.100 0.013 0.000 0.689 1270 G HN 0.907 nan 8.290 nan 0.000 0.522 1271 T N -2.788 111.773 114.554 0.012 0.000 2.916 1271 T HA 0.729 5.079 4.350 0.000 0.000 0.292 1271 T C 1.480 176.189 174.700 0.014 0.000 1.064 1271 T CA -0.473 61.634 62.100 0.012 0.000 1.011 1271 T CB 1.598 70.472 68.868 0.010 0.000 1.152 1271 T HN 0.055 nan 8.240 nan 0.000 0.510 1272 I N 0.531 121.111 120.570 0.016 0.000 2.264 1272 I HA -0.127 4.043 4.170 0.000 0.000 0.248 1272 I C 2.237 178.365 176.117 0.018 0.000 1.111 1272 I CA 1.518 62.829 61.300 0.018 0.000 1.382 1272 I CB -1.373 36.638 38.000 0.019 0.000 1.060 1272 I HN 0.710 nan 8.210 nan 0.000 0.418 1273 E N 0.820 121.029 120.200 0.015 0.000 2.265 1273 E HA -0.108 4.242 4.350 0.000 0.000 0.196 1273 E C 2.117 178.724 176.600 0.013 0.000 0.996 1273 E CA 0.983 57.392 56.400 0.014 0.000 0.832 1273 E CB -0.563 29.144 29.700 0.012 0.000 0.756 1273 E HN 0.531 nan 8.360 nan 0.000 0.491 1274 G N -0.188 108.619 108.800 0.011 0.000 3.042 1274 G HA2 0.101 4.061 3.960 0.000 0.000 0.212 1274 G HA3 0.101 4.061 3.960 0.000 0.000 0.212 1274 G C 0.379 175.284 174.900 0.008 0.000 1.166 1274 G CA -0.375 44.731 45.100 0.009 0.000 0.767 1274 G HN 0.126 nan 8.290 nan 0.000 0.546 1275 I N 1.259 121.835 120.570 0.010 0.000 2.396 1275 I HA 0.106 4.276 4.170 0.000 0.000 0.289 1275 I C 0.217 176.335 176.117 0.001 0.000 1.056 1275 I CA -0.205 61.099 61.300 0.006 0.000 1.365 1275 I CB 1.379 39.384 38.000 0.008 0.000 1.407 1275 I HN 0.052 nan 8.210 nan 0.000 0.509 1276 E N 6.723 126.920 120.200 -0.005 0.000 1.941 1276 E HA 0.206 4.556 4.350 0.000 0.000 0.275 1276 E C -0.945 175.640 176.600 -0.025 0.000 1.113 1276 E CA -0.517 55.877 56.400 -0.009 0.000 0.878 1276 E CB 0.699 30.395 29.700 -0.007 0.000 1.070 1276 E HN 0.379 nan 8.360 nan 0.000 0.399 1277 V N 6.820 126.715 119.914 -0.033 0.000 2.470 1277 V HA -0.006 4.114 4.120 0.000 0.000 0.276 1277 V C 1.233 177.278 176.094 -0.081 0.000 1.040 1277 V CA 0.211 62.461 62.300 -0.082 0.000 1.008 1277 V CB 0.997 32.763 31.823 -0.095 0.000 0.990 1277 V HN 0.803 nan 8.190 nan 0.000 0.477 1278 L N 3.999 125.163 121.223 -0.098 0.000 2.316 1278 L HA 0.363 4.703 4.340 0.000 0.000 0.207 1278 L C 1.102 177.925 176.870 -0.078 0.000 1.070 1278 L CA 0.589 55.390 54.840 -0.065 0.000 0.820 1278 L CB 0.119 42.154 42.059 -0.039 0.000 0.992 1278 L HN 0.582 nan 8.230 nan 0.000 0.466 1279 R N -0.939 119.469 120.500 -0.153 0.000 2.644 1279 R HA 0.273 4.613 4.340 0.000 0.000 0.257 1279 R C -1.470 174.669 176.300 -0.269 0.000 1.082 1279 R CA -0.661 55.367 56.100 -0.119 0.000 0.927 1279 R CB 1.362 31.670 30.300 0.013 0.000 1.258 1279 R HN -0.003 nan 8.270 nan 0.000 0.459 1280 H N 2.586 121.673 119.070 0.029 0.000 2.488 1280 H HA 0.385 4.941 4.556 0.000 0.000 0.322 1280 H C -0.610 174.713 175.328 -0.009 0.000 1.078 1280 H CA -0.552 55.497 56.048 0.001 0.000 1.260 1280 H CB 1.466 31.219 29.762 -0.015 0.000 1.425 1280 H HN 0.435 nan 8.280 nan 0.000 0.471 1281 N N 2.144 120.877 118.700 0.055 0.000 2.238 1281 N HA 0.347 5.087 4.740 0.000 0.000 0.302 1281 N C -0.887 174.484 175.510 -0.231 0.000 1.072 1281 N CA -0.611 52.389 53.050 -0.082 0.000 0.792 1281 N CB 3.207 41.749 38.487 0.093 0.000 1.425 1281 N HN 0.173 nan 8.380 nan 0.000 0.478 1282 V N 0.201 119.813 119.914 -0.503 0.000 2.569 1282 V HA 0.734 4.854 4.120 0.000 0.000 0.301 1282 V C 0.245 175.862 176.094 -0.795 0.000 1.044 1282 V CA -0.777 61.248 62.300 -0.459 0.000 0.874 1282 V CB 1.711 33.364 31.823 -0.283 0.000 1.002 1282 V HN 0.830 nan 8.190 nan 0.000 0.424 1283 G N 3.641 112.081 108.800 -0.599 0.000 2.533 1283 G HA2 0.769 4.729 3.960 0.000 0.000 0.304 1283 G HA3 0.769 4.729 3.960 0.000 0.000 0.304 1283 G C -1.340 173.438 174.900 -0.204 0.000 1.263 1283 G CA -0.824 43.946 45.100 -0.551 0.000 0.964 1283 G HN 0.592 nan 8.290 nan 0.000 0.479 1284 L N 1.619 122.780 121.223 -0.105 0.000 2.276 1284 L HA 0.433 4.773 4.340 0.000 0.000 0.286 1284 L C 0.522 177.374 176.870 -0.029 0.000 1.024 1284 L CA -0.759 54.017 54.840 -0.106 0.000 0.826 1284 L CB 1.284 43.236 42.059 -0.178 0.000 1.211 1284 L HN 0.402 nan 8.230 nan 0.000 0.422 1285 R N 3.723 124.213 120.500 -0.017 0.000 2.537 1285 R HA 0.185 4.525 4.340 0.000 0.000 0.280 1285 R C -2.315 173.999 176.300 0.023 0.000 1.058 1285 R CA -1.404 54.726 56.100 0.050 0.000 1.057 1285 R CB 0.129 30.473 30.300 0.073 0.000 0.973 1285 R HN 0.293 nan 8.270 nan 0.000 0.438 1286 P HA 0.217 nan 4.420 nan 0.000 0.284 1286 P C -1.241 176.120 177.300 0.101 0.000 1.432 1286 P CA -0.218 62.933 63.100 0.084 0.000 0.929 1286 P CB 1.550 33.343 31.700 0.155 0.000 1.158 1287 A N 3.781 126.627 122.820 0.043 0.000 2.352 1287 A HA 0.924 5.244 4.320 0.000 0.000 0.299 1287 A C -0.374 177.231 177.584 0.035 0.000 1.160 1287 A CA -0.761 51.295 52.037 0.033 0.000 0.933 1287 A CB 1.243 20.247 19.000 0.007 0.000 1.387 1287 A HN 0.433 nan 8.150 nan 0.000 0.487 1288 R N -0.062 120.439 120.500 0.003 0.000 2.572 1288 R HA 0.270 4.610 4.340 0.000 0.000 0.273 1288 R C -1.255 175.032 176.300 -0.022 0.000 1.168 1288 R CA -0.495 55.607 56.100 0.003 0.000 1.021 1288 R CB 1.105 31.384 30.300 -0.036 0.000 1.249 1288 R HN 0.859 nan 8.270 nan 0.000 0.423 1289 R N 1.697 122.194 120.500 -0.004 0.000 2.522 1289 R HA 0.175 4.515 4.340 0.000 0.000 0.284 1289 R C 0.751 177.033 176.300 -0.030 0.000 1.032 1289 R CA 1.487 57.579 56.100 -0.013 0.000 1.049 1289 R CB 0.701 31.002 30.300 0.001 0.000 0.956 1289 R HN 0.998 nan 8.270 nan 0.000 0.422 1290 G N 1.146 109.922 108.800 -0.040 0.000 2.175 1290 G HA2 -0.182 3.778 3.960 0.000 0.000 0.244 1290 G HA3 -0.182 3.778 3.960 0.000 0.000 0.244 1290 G C 0.503 175.357 174.900 -0.076 0.000 0.982 1290 G CA -0.044 45.024 45.100 -0.053 0.000 0.641 1290 G HN 1.249 nan 8.290 nan 0.000 0.527 1291 G N -0.850 107.900 108.800 -0.083 0.000 2.710 1291 G HA2 0.293 4.253 3.960 0.000 0.000 0.668 1291 G HA3 0.293 4.253 3.960 0.000 0.000 0.668 1291 G C -2.081 172.714 174.900 -0.176 0.000 1.320 1291 G CA 0.067 45.106 45.100 -0.102 0.000 0.860 1291 G HN 0.966 nan 8.290 nan 0.000 0.538 1292 P HA 0.292 nan 4.420 nan 0.000 0.269 1292 P C -0.239 176.844 177.300 -0.362 0.000 1.209 1292 P CA -0.019 62.807 63.100 -0.457 0.000 0.776 1292 P CB 0.603 31.919 31.700 -0.639 0.000 0.876 1293 R N 2.129 122.304 120.500 -0.542 0.000 2.246 1293 R HA 0.470 4.810 4.340 0.000 0.000 0.332 1293 R C -1.416 174.738 176.300 -0.244 0.000 0.974 1293 R CA -0.586 55.256 56.100 -0.431 0.000 0.837 1293 R CB 0.516 30.374 30.300 -0.736 0.000 1.145 1293 R HN 0.248 nan 8.270 nan 0.000 0.467 1294 V N 6.028 125.926 119.914 -0.026 0.000 2.439 1294 V HA 0.296 4.416 4.120 0.000 0.000 0.277 1294 V C -0.895 175.270 176.094 0.118 0.000 1.008 1294 V CA -0.483 61.870 62.300 0.088 0.000 0.846 1294 V CB 1.118 33.043 31.823 0.170 0.000 1.031 1294 V HN 0.943 nan 8.190 nan 0.000 0.441 1295 E N 3.637 123.920 120.200 0.139 0.000 2.396 1295 E HA 0.782 5.132 4.350 0.000 0.000 0.280 1295 E C -1.345 175.358 176.600 0.171 0.000 1.065 1295 E CA -1.032 55.454 56.400 0.144 0.000 0.831 1295 E CB 2.048 31.820 29.700 0.122 0.000 1.272 1295 E HN 0.571 nan 8.360 nan 0.000 0.443 1296 A N 1.460 124.364 122.820 0.139 0.000 2.304 1296 A HA 0.571 4.891 4.320 0.000 0.000 0.323 1296 A C -0.658 176.996 177.584 0.117 0.000 1.195 1296 A CA -0.511 51.596 52.037 0.116 0.000 0.826 1296 A CB 1.336 20.416 19.000 0.132 0.000 1.184 1296 A HN 0.615 nan 8.150 nan 0.000 0.496 1297 E N 1.726 121.974 120.200 0.081 0.000 2.256 1297 E HA 0.483 4.833 4.350 0.000 0.000 0.267 1297 E C -0.825 175.758 176.600 -0.028 0.000 0.892 1297 E CA -0.892 55.548 56.400 0.067 0.000 0.775 1297 E CB 1.063 30.863 29.700 0.165 0.000 1.207 1297 E HN 0.583 nan 8.360 nan 0.000 0.420 1298 R N 3.616 124.061 120.500 -0.091 0.000 2.294 1298 R HA 0.521 4.861 4.340 0.000 0.000 0.319 1298 R C -0.505 175.711 176.300 -0.139 0.000 0.984 1298 R CA -0.471 55.510 56.100 -0.199 0.000 0.861 1298 R CB 0.605 30.701 30.300 -0.339 0.000 1.104 1298 R HN 0.541 nan 8.270 nan 0.000 0.451 1299 I N 2.167 122.635 120.570 -0.170 0.000 2.582 1299 I HA 0.304 4.474 4.170 0.000 0.000 0.292 1299 I C -0.176 175.824 176.117 -0.195 0.000 1.066 1299 I CA -1.249 59.962 61.300 -0.149 0.000 1.053 1299 I CB 2.563 40.488 38.000 -0.126 0.000 1.241 1299 I HN 0.073 nan 8.210 nan 0.000 0.421 1300 V N 6.483 126.312 119.914 -0.142 0.000 2.465 1300 V HA 0.413 4.533 4.120 0.000 0.000 0.279 1300 V C 0.042 176.056 176.094 -0.133 0.000 1.045 1300 V CA -0.364 61.855 62.300 -0.136 0.000 0.938 1300 V CB 1.381 33.148 31.823 -0.093 0.000 0.986 1300 V HN 0.434 nan 8.190 nan 0.000 0.467 1301 L N 6.291 127.426 121.223 -0.148 0.000 2.342 1301 L HA 0.560 4.900 4.340 0.000 0.000 0.271 1301 L C -2.467 174.356 176.870 -0.079 0.000 1.008 1301 L CA -2.008 52.760 54.840 -0.120 0.000 0.818 1301 L CB 2.465 44.430 42.059 -0.157 0.000 1.296 1301 L HN 0.416 nan 8.230 nan 0.000 0.427 1302 P HA 0.150 nan 4.420 nan 0.000 0.272 1302 P C -0.601 176.678 177.300 -0.036 0.000 1.223 1302 P CA -0.297 62.780 63.100 -0.038 0.000 0.784 1302 P CB 0.470 32.156 31.700 -0.022 0.000 0.923 1303 L N 1.889 123.097 121.223 -0.025 0.000 2.473 1303 L HA 0.237 4.577 4.340 0.000 0.000 0.268 1303 L C 0.835 177.698 176.870 -0.012 0.000 1.215 1303 L CA 0.251 55.081 54.840 -0.016 0.000 0.823 1303 L CB -0.075 41.983 42.059 -0.002 0.000 1.099 1303 L HN 0.496 nan 8.230 nan 0.000 0.483 1304 D N -0.461 119.934 120.400 -0.009 0.000 2.614 1304 D HA 0.249 4.889 4.640 0.000 0.000 0.264 1304 D C 0.271 176.569 176.300 -0.003 0.000 1.092 1304 D CA -0.908 53.088 54.000 -0.007 0.000 1.071 1304 D CB 0.939 41.734 40.800 -0.010 0.000 1.443 1304 D HN 0.117 nan 8.370 nan 0.000 0.528 1305 R N -0.495 120.004 120.500 -0.002 0.000 2.189 1305 R HA -0.034 4.306 4.340 0.000 0.000 0.218 1305 R C 1.765 178.066 176.300 0.000 0.000 1.074 1305 R CA 2.116 58.216 56.100 -0.000 0.000 0.991 1305 R CB -1.061 29.239 30.300 -0.001 0.000 0.883 1305 R HN 0.698 nan 8.270 nan 0.000 0.457 1306 T N -2.141 112.412 114.554 -0.002 0.000 2.867 1306 T HA -0.118 4.232 4.350 0.000 0.000 0.268 1306 T C 1.777 176.477 174.700 0.000 0.000 1.057 1306 T CA 1.376 63.475 62.100 -0.002 0.000 1.136 1306 T CB -0.161 68.704 68.868 -0.004 0.000 0.874 1306 T HN 0.121 nan 8.240 nan 0.000 0.466 1307 K N 1.666 122.066 120.400 -0.000 0.000 2.167 1307 K HA 0.197 4.518 4.320 0.000 0.000 0.203 1307 K C 0.628 177.234 176.600 0.010 0.000 1.052 1307 K CA 0.482 56.771 56.287 0.004 0.000 0.956 1307 K CB -0.023 32.477 32.500 0.000 0.000 0.735 1307 K HN 0.369 nan 8.250 nan 0.000 0.451 1308 S N -0.630 115.076 115.700 0.009 0.000 2.603 1308 S HA 0.413 4.883 4.470 0.000 0.000 0.274 1308 S C -2.610 171.995 174.600 0.009 0.000 1.168 1308 S CA -1.358 56.849 58.200 0.013 0.000 0.963 1308 S CB 1.575 64.785 63.200 0.017 0.000 1.078 1308 S HN -0.066 nan 8.310 nan 0.000 0.477 1309 P HA 0.063 nan 4.420 nan 0.000 0.222 1309 P C 0.774 178.077 177.300 0.005 0.000 1.147 1309 P CA 0.818 63.921 63.100 0.006 0.000 0.790 1309 P CB 0.070 31.774 31.700 0.006 0.000 0.780 1310 L N -1.241 119.986 121.223 0.007 0.000 2.611 1310 L HA 0.113 4.453 4.340 0.000 0.000 0.229 1310 L C 0.946 177.821 176.870 0.007 0.000 1.137 1310 L CA -0.208 54.636 54.840 0.006 0.000 0.901 1310 L CB -0.749 41.315 42.059 0.007 0.000 1.098 1310 L HN -0.019 nan 8.230 nan 0.000 0.456 1311 S N 0.783 116.488 115.700 0.007 0.000 2.568 1311 S HA 0.342 4.812 4.470 0.000 0.000 0.282 1311 S C -0.016 174.587 174.600 0.005 0.000 1.338 1311 S CA -0.521 57.683 58.200 0.007 0.000 1.045 1311 S CB 0.823 64.026 63.200 0.005 0.000 0.873 1311 S HN 0.152 nan 8.310 nan 0.000 0.516 1312 L N 2.610 123.837 121.223 0.006 0.000 2.421 1312 L HA 0.678 5.018 4.340 0.000 0.000 0.263 1312 L C 1.288 178.160 176.870 0.003 0.000 1.122 1312 L CA 0.106 54.949 54.840 0.005 0.000 0.804 1312 L CB 0.057 42.120 42.059 0.007 0.000 1.150 1312 L HN 1.226 nan 8.230 nan 0.000 0.457 1313 G N 1.273 110.074 108.800 0.002 0.000 2.632 1313 G HA2 -0.201 3.759 3.960 0.000 0.000 0.224 1313 G HA3 -0.201 3.759 3.960 0.000 0.000 0.224 1313 G C -0.533 174.366 174.900 -0.001 0.000 1.341 1313 G CA -0.665 44.435 45.100 0.000 0.000 0.880 1313 G HN 0.605 nan 8.290 nan 0.000 0.566 1314 R N 0.556 121.056 120.500 -0.001 0.000 2.390 1314 R HA 0.446 4.786 4.340 0.000 0.000 0.291 1314 R C 1.843 178.142 176.300 -0.002 0.000 1.070 1314 R CA 0.183 56.282 56.100 -0.002 0.000 1.014 1314 R CB 0.867 31.166 30.300 -0.002 0.000 1.007 1314 R HN 0.931 nan 8.270 nan 0.000 0.466 1315 G N 1.007 109.805 108.800 -0.002 0.000 2.462 1315 G HA2 -0.326 3.634 3.960 0.000 0.000 0.220 1315 G HA3 -0.326 3.634 3.960 0.000 0.000 0.220 1315 G C 1.460 176.358 174.900 -0.003 0.000 1.121 1315 G CA 1.100 46.198 45.100 -0.002 0.000 0.758 1315 G HN 0.691 nan 8.290 nan 0.000 0.559 1316 S N 0.808 116.506 115.700 -0.003 0.000 2.419 1316 S HA 0.245 4.715 4.470 0.000 0.000 0.235 1316 S C 1.610 176.207 174.600 -0.004 0.000 1.019 1316 S CA 0.896 59.094 58.200 -0.003 0.000 0.982 1316 S CB -0.379 62.819 63.200 -0.003 0.000 0.789 1316 S HN 0.764 nan 8.310 nan 0.000 0.490 1317 A N 1.089 123.906 122.820 -0.004 0.000 2.409 1317 A HA 0.683 5.003 4.320 0.000 0.000 0.246 1317 A C 1.158 178.738 177.584 -0.007 0.000 1.099 1317 A CA 0.066 52.099 52.037 -0.006 0.000 0.789 1317 A CB 0.239 19.235 19.000 -0.005 0.000 1.053 1317 A HN 0.534 nan 8.150 nan 0.000 0.503 1318 R N -1.318 119.177 120.500 -0.009 0.000 2.149 1318 R HA 0.209 4.549 4.340 0.000 0.000 0.071 1318 R C 1.452 177.744 176.300 -0.013 0.000 0.837 1318 R CA 0.669 56.762 56.100 -0.011 0.000 2.893 1318 R CB -0.990 29.305 30.300 -0.010 0.000 1.270 1318 R HN 0.965 nan 8.270 nan 0.000 0.526 1319 A N 2.167 124.979 122.820 -0.012 0.000 2.911 1319 A HA 0.001 4.321 4.320 0.000 0.000 0.427 1319 A C 1.353 178.928 177.584 -0.014 0.000 0.661 1319 A CA 1.717 53.747 52.037 -0.012 0.000 1.635 1319 A CB -1.560 17.434 19.000 -0.009 0.000 0.828 1319 A HN 0.666 nan 8.150 nan 0.000 0.541 1320 A N -2.209 120.603 122.820 -0.013 0.000 2.885 1320 A HA -0.222 4.098 4.320 0.000 0.000 1.024 1320 A C 1.629 179.203 177.584 -0.017 0.000 2.029 1320 A CA 1.795 53.824 52.037 -0.013 0.000 3.171 1320 A CB -0.602 18.391 19.000 -0.012 0.000 1.635 1320 A HN 0.767 nan 8.150 nan 0.000 0.942 1321 K N -0.082 120.308 120.400 -0.017 0.000 1.975 1321 K HA -0.116 4.204 4.320 0.000 0.000 0.225 1321 K C 0.177 176.762 176.600 -0.026 0.000 1.050 1321 K CA 1.995 58.270 56.287 -0.019 0.000 0.992 1321 K CB -0.310 32.179 32.500 -0.017 0.000 0.738 1321 K HN 0.765 nan 8.250 nan 0.000 0.446 1322 E N 0.036 120.215 120.200 -0.035 0.000 7.510 1322 E HA -0.092 4.258 4.350 0.000 0.000 0.222 1322 E C -1.322 175.245 176.600 -0.055 0.000 0.865 1322 E CA 0.145 56.518 56.400 -0.046 0.000 1.643 1322 E CB -0.304 29.372 29.700 -0.041 0.000 0.898 1322 E HN 0.459 nan 8.360 nan 0.000 0.262 1323 K N 2.105 122.459 120.400 -0.076 0.000 2.477 1323 K HA 0.685 5.005 4.320 0.000 0.000 0.255 1323 K C -0.795 175.725 176.600 -0.133 0.000 0.952 1323 K CA -1.027 55.207 56.287 -0.090 0.000 0.826 1323 K CB 2.683 35.134 32.500 -0.081 0.000 1.331 1323 K HN 0.240 nan 8.250 nan 0.000 0.437 1324 E N 1.659 121.774 120.200 -0.141 0.000 2.179 1324 E HA 0.403 4.753 4.350 0.000 0.000 0.275 1324 E C -0.894 175.576 176.600 -0.217 0.000 0.945 1324 E CA -0.995 55.291 56.400 -0.190 0.000 0.792 1324 E CB 1.815 31.407 29.700 -0.181 0.000 1.125 1324 E HN 0.530 nan 8.360 nan 0.000 0.397 1325 V N 0.241 119.979 119.914 -0.294 0.000 3.158 1325 V HA 0.677 4.797 4.120 0.000 0.000 0.311 1325 V C -0.498 175.486 176.094 -0.185 0.000 1.181 1325 V CA -0.776 61.364 62.300 -0.267 0.000 1.054 1325 V CB 1.925 33.330 31.823 -0.697 0.000 1.085 1325 V HN 0.612 nan 8.190 nan 0.000 0.446 1326 T N 3.081 117.679 114.554 0.074 0.000 2.797 1326 T HA 0.702 5.052 4.350 0.000 0.000 0.279 1326 T C -0.889 173.953 174.700 0.237 0.000 0.991 1326 T CA -0.078 62.088 62.100 0.109 0.000 0.979 1326 T CB 1.197 70.224 68.868 0.264 0.000 0.943 1326 T HN 0.814 nan 8.240 nan 0.000 0.444 1327 L N 4.836 126.130 121.223 0.118 0.000 2.319 1327 L HA 0.602 4.942 4.340 0.000 0.000 0.281 1327 L C -0.993 175.779 176.870 -0.164 0.000 1.005 1327 L CA -0.562 54.300 54.840 0.037 0.000 0.828 1327 L CB 1.302 43.370 42.059 0.015 0.000 1.227 1327 L HN 0.444 nan 8.230 nan 0.000 0.415 1328 V N 5.413 125.245 119.914 -0.138 0.000 2.318 1328 V HA 0.353 4.473 4.120 0.000 0.000 0.271 1328 V C 0.100 176.127 176.094 -0.110 0.000 1.030 1328 V CA -0.711 61.533 62.300 -0.094 0.000 0.844 1328 V CB 0.367 32.178 31.823 -0.019 0.000 1.015 1328 V HN 0.610 nan 8.190 nan 0.000 0.460 1329 H N 3.529 122.668 119.070 0.116 0.000 2.652 1329 H HA 0.579 5.135 4.556 0.000 0.000 0.349 1329 H C 0.306 175.703 175.328 0.114 0.000 1.099 1329 H CA 0.124 56.275 56.048 0.172 0.000 1.417 1329 H CB 1.653 31.514 29.762 0.165 0.000 1.457 1329 H HN 0.722 nan 8.280 nan 0.000 0.568 1330 A N 4.199 127.218 122.820 0.331 0.000 3.124 1330 A HA 0.400 4.720 4.320 0.000 0.000 0.295 1330 A C -1.432 176.430 177.584 0.463 0.000 1.199 1330 A CA -0.692 51.512 52.037 0.278 0.000 0.845 1330 A CB -0.060 19.046 19.000 0.177 0.000 1.381 1330 A HN 0.688 nan 8.150 nan 0.000 0.537 1331 Y N -2.468 117.922 120.300 0.151 0.000 2.638 1331 Y HA 0.704 5.254 4.550 0.000 0.000 0.335 1331 Y C 0.549 176.329 175.900 -0.200 0.000 1.155 1331 Y CA -0.832 57.337 58.100 0.114 0.000 1.046 1331 Y CB 0.855 39.386 38.460 0.118 0.000 1.303 1331 Y HN 1.666 nan 8.280 nan 0.000 0.460 1332 G N 0.679 109.505 108.800 0.044 0.000 2.167 1332 G HA2 -0.246 3.714 3.960 0.000 0.000 0.194 1332 G HA3 -0.246 3.714 3.960 0.000 0.000 0.194 1332 G C -0.430 174.341 174.900 -0.215 0.000 1.027 1332 G CA 0.088 45.127 45.100 -0.101 0.000 0.717 1332 G HN 0.668 nan 8.290 nan 0.000 0.501 1333 F N 0.746 120.748 119.950 0.085 0.000 2.797 1333 F HA 0.378 4.905 4.527 0.000 0.000 0.302 1333 F C 1.968 177.832 175.800 0.107 0.000 1.130 1333 F CA 1.266 59.324 58.000 0.096 0.000 1.387 1333 F CB 0.264 39.307 39.000 0.072 0.000 1.107 1333 F HN 0.559 nan 8.300 nan 0.000 0.577 1334 S N 0.567 116.390 115.700 0.205 0.000 4.059 1334 S HA -0.352 4.118 4.470 0.000 0.000 0.624 1334 S C 1.621 176.327 174.600 0.177 0.000 2.019 1334 S CA 1.725 60.009 58.200 0.139 0.000 4.197 1334 S CB -1.621 61.624 63.200 0.075 0.000 0.215 1334 S HN 0.468 nan 8.310 nan 0.000 0.609 1335 S N 1.019 116.806 115.700 0.145 0.000 2.631 1335 S HA 0.620 5.090 4.470 0.000 0.000 0.217 1335 S C 0.656 175.438 174.600 0.304 0.000 0.958 1335 S CA 0.747 59.049 58.200 0.169 0.000 0.920 1335 S CB 0.403 63.590 63.200 -0.022 0.000 0.776 1335 S HN 1.673 nan 8.310 nan 0.000 0.517 1336 A N 0.245 123.258 122.820 0.321 0.000 2.592 1336 A HA 0.721 5.041 4.320 0.000 0.000 0.290 1336 A C 1.558 179.309 177.584 0.278 0.000 0.998 1336 A CA 0.064 52.301 52.037 0.333 0.000 0.983 1336 A CB -0.372 18.835 19.000 0.345 0.000 1.240 1336 A HN 0.464 nan 8.150 nan 0.000 0.535 1337 G N -0.500 108.458 108.800 0.263 0.000 2.422 1337 G HA2 -0.154 3.806 3.960 0.000 0.000 0.218 1337 G HA3 -0.154 3.806 3.960 0.000 0.000 0.218 1337 G C 1.235 176.112 174.900 -0.038 0.000 1.146 1337 G CA 1.390 46.527 45.100 0.062 0.000 0.769 1337 G HN 0.496 nan 8.290 nan 0.000 0.547 1338 Y N 1.268 121.638 120.300 0.118 0.000 2.133 1338 Y HA -0.129 4.421 4.550 0.000 0.000 0.287 1338 Y C 3.244 179.227 175.900 0.140 0.000 1.134 1338 Y CA 1.803 60.026 58.100 0.206 0.000 1.133 1338 Y CB -0.342 38.290 38.460 0.285 0.000 0.987 1338 Y HN 0.391 nan 8.280 nan 0.000 0.502 1339 Q N -0.110 119.816 119.800 0.210 0.000 2.364 1339 Q HA -0.195 4.145 4.340 0.000 0.000 0.207 1339 Q C 1.302 177.273 176.000 -0.049 0.000 0.970 1339 Q CA 1.541 57.293 55.803 -0.084 0.000 0.888 1339 Q CB -0.333 28.277 28.738 -0.213 0.000 0.951 1339 Q HN 0.554 nan 8.270 nan 0.000 0.469 1340 Q N 0.720 120.544 119.800 0.040 0.000 2.319 1340 Q HA 0.041 4.381 4.340 0.000 0.000 0.209 1340 Q C 2.000 177.957 176.000 -0.072 0.000 0.884 1340 Q CA 0.620 56.490 55.803 0.112 0.000 0.938 1340 Q CB 0.644 29.555 28.738 0.289 0.000 1.098 1340 Q HN 0.544 nan 8.270 nan 0.000 0.517 1341 S N 0.193 115.828 115.700 -0.108 0.000 2.370 1341 S HA -0.198 4.272 4.470 0.000 0.000 0.226 1341 S C 1.522 176.078 174.600 -0.073 0.000 1.033 1341 S CA 0.604 58.692 58.200 -0.187 0.000 1.011 1341 S CB -0.676 62.508 63.200 -0.027 0.000 0.852 1341 S HN 0.594 nan 8.310 nan 0.000 0.457 1342 W N 2.546 123.798 121.300 -0.080 0.000 2.379 1342 W HA 0.017 4.677 4.660 0.000 0.000 0.307 1342 W C 2.431 178.917 176.519 -0.056 0.000 1.200 1342 W CA 1.266 58.594 57.345 -0.028 0.000 1.297 1342 W CB -0.827 28.656 29.460 0.039 0.000 1.140 1342 W HN 0.475 nan 8.180 nan 0.000 0.507 1343 G N 0.456 109.319 108.800 0.106 0.000 2.422 1343 G HA2 -0.238 3.722 3.960 0.000 0.000 0.218 1343 G HA3 -0.238 3.722 3.960 0.000 0.000 0.218 1343 G C 1.655 176.383 174.900 -0.287 0.000 1.146 1343 G CA 1.544 46.697 45.100 0.088 0.000 0.769 1343 G HN 0.346 nan 8.290 nan 0.000 0.547 1344 A N 1.249 123.624 122.820 -0.741 0.000 1.902 1344 A HA 0.255 4.575 4.320 0.000 0.000 0.217 1344 A C 2.832 180.073 177.584 -0.572 0.000 1.181 1344 A CA 2.267 53.621 52.037 -1.138 0.000 0.623 1344 A CB -0.838 17.412 19.000 -1.249 0.000 0.818 1344 A HN 0.807 nan 8.150 nan 0.000 0.443 1345 A N -0.204 122.323 122.820 -0.488 0.000 1.940 1345 A HA -0.198 4.122 4.320 0.000 0.000 0.219 1345 A C 1.902 179.249 177.584 -0.394 0.000 1.176 1345 A CA 1.733 53.509 52.037 -0.435 0.000 0.631 1345 A CB -0.550 18.132 19.000 -0.529 0.000 0.814 1345 A HN 0.657 nan 8.150 nan 0.000 0.446 1346 E N -0.312 119.648 120.200 -0.399 0.000 2.077 1346 E HA -0.198 4.152 4.350 0.000 0.000 0.193 1346 E C 1.464 177.996 176.600 -0.112 0.000 0.989 1346 E CA 1.251 57.503 56.400 -0.248 0.000 0.800 1346 E CB -0.192 29.417 29.700 -0.151 0.000 0.746 1346 E HN 0.536 nan 8.360 nan 0.000 0.452 1347 D N 0.048 120.408 120.400 -0.068 0.000 2.144 1347 D HA -0.105 4.535 4.640 0.000 0.000 0.200 1347 D C 2.031 178.322 176.300 -0.016 0.000 0.978 1347 D CA 0.568 54.588 54.000 0.033 0.000 0.833 1347 D CB -0.174 40.743 40.800 0.195 0.000 0.961 1347 D HN -0.017 nan 8.370 nan 0.000 0.470 1348 V N 1.280 121.140 119.914 -0.091 0.000 2.287 1348 V HA -0.264 3.856 4.120 0.000 0.000 0.248 1348 V C 2.472 178.510 176.094 -0.093 0.000 1.053 1348 V CA 1.944 64.193 62.300 -0.085 0.000 1.027 1348 V CB -0.798 30.945 31.823 -0.133 0.000 0.646 1348 V HN 0.207 nan 8.190 nan 0.000 0.447 1349 A N -0.702 122.040 122.820 -0.131 0.000 1.930 1349 A HA -0.262 4.058 4.320 0.000 0.000 0.217 1349 A C 2.158 179.713 177.584 -0.049 0.000 1.175 1349 A CA 1.947 53.908 52.037 -0.128 0.000 0.627 1349 A CB -0.503 18.411 19.000 -0.143 0.000 0.815 1349 A HN 0.535 nan 8.150 nan 0.000 0.443 1350 Q N 0.158 119.948 119.800 -0.017 0.000 2.084 1350 Q HA -0.075 4.265 4.340 0.000 0.000 0.202 1350 Q C 1.814 177.844 176.000 0.051 0.000 0.978 1350 Q CA 1.698 57.517 55.803 0.028 0.000 0.844 1350 Q CB -0.567 28.194 28.738 0.039 0.000 0.898 1350 Q HN 0.656 nan 8.270 nan 0.000 0.426 1351 L N -0.882 120.369 121.223 0.047 0.000 2.083 1351 L HA -0.174 4.166 4.340 0.000 0.000 0.209 1351 L C 2.269 179.202 176.870 0.104 0.000 1.083 1351 L CA 0.932 55.819 54.840 0.077 0.000 0.752 1351 L CB -0.512 41.590 42.059 0.071 0.000 0.899 1351 L HN 0.117 nan 8.230 nan 0.000 0.433 1352 V N -0.389 119.557 119.914 0.053 0.000 2.295 1352 V HA -0.283 3.837 4.120 0.000 0.000 0.246 1352 V C 2.120 178.349 176.094 0.224 0.000 1.049 1352 V CA 1.859 64.207 62.300 0.080 0.000 1.024 1352 V CB -0.502 31.203 31.823 -0.196 0.000 0.648 1352 V HN 0.414 nan 8.190 nan 0.000 0.447 1353 D N -0.286 120.207 120.400 0.154 0.000 2.123 1353 D HA -0.194 4.446 4.640 0.000 0.000 0.196 1353 D C 2.196 178.633 176.300 0.228 0.000 0.992 1353 D CA 1.623 55.759 54.000 0.228 0.000 0.833 1353 D CB -0.129 40.759 40.800 0.147 0.000 0.954 1353 D HN 0.516 nan 8.370 nan 0.000 0.455 1354 E N 0.687 120.981 120.200 0.158 0.000 2.072 1354 E HA -0.065 4.285 4.350 0.000 0.000 0.191 1354 E C 1.892 178.554 176.600 0.102 0.000 0.985 1354 E CA 1.393 57.855 56.400 0.102 0.000 0.801 1354 E CB -0.322 29.419 29.700 0.070 0.000 0.750 1354 E HN 0.147 nan 8.360 nan 0.000 0.452 1355 A N -0.338 122.606 122.820 0.208 0.000 1.933 1355 A HA -0.138 4.182 4.320 0.000 0.000 0.218 1355 A C 2.098 179.863 177.584 0.301 0.000 1.175 1355 A CA 1.380 53.590 52.037 0.288 0.000 0.628 1355 A CB -0.950 18.316 19.000 0.443 0.000 0.814 1355 A HN 0.377 nan 8.150 nan 0.000 0.444 1356 F N 0.185 120.309 119.950 0.290 0.000 2.134 1356 F HA -0.195 4.332 4.527 0.000 0.000 0.299 1356 F C 2.797 178.685 175.800 0.146 0.000 1.097 1356 F CA 1.842 60.034 58.000 0.321 0.000 1.264 1356 F CB -0.170 39.005 39.000 0.291 0.000 1.001 1356 F HN 0.210 nan 8.300 nan 0.000 0.479 1357 Q N 0.100 120.028 119.800 0.213 0.000 2.050 1357 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 1357 Q C 2.357 178.309 176.000 -0.081 0.000 0.980 1357 Q CA 1.560 57.402 55.803 0.065 0.000 0.840 1357 Q CB -0.491 28.269 28.738 0.037 0.000 0.898 1357 Q HN 0.441 nan 8.270 nan 0.000 0.424 1358 R N -1.176 119.167 120.500 -0.261 0.000 2.100 1358 R HA -0.014 4.326 4.340 0.000 0.000 0.220 1358 R C 1.421 177.398 176.300 -0.539 0.000 1.091 1358 R CA 0.992 56.770 56.100 -0.537 0.000 0.986 1358 R CB 0.181 29.833 30.300 -1.079 0.000 0.888 1358 R HN 0.356 nan 8.270 nan 0.000 0.444 1359 Y N -2.495 117.679 120.300 -0.210 0.000 2.423 1359 Y HA 0.231 4.781 4.550 0.000 0.000 0.257 1359 Y C 1.184 176.726 175.900 -0.597 0.000 1.087 1359 Y CA -0.249 57.588 58.100 -0.438 0.000 1.258 1359 Y CB 0.761 38.822 38.460 -0.665 0.000 1.237 1359 Y HN 0.041 nan 8.280 nan 0.000 0.517 1360 H N -0.081 118.952 119.070 -0.062 0.000 2.567 1360 H HA 0.458 5.014 4.556 0.000 0.000 0.267 1360 H C 0.970 176.273 175.328 -0.040 0.000 1.148 1360 H CA 0.596 56.529 56.048 -0.192 0.000 1.031 1360 H CB 0.621 29.919 29.762 -0.774 0.000 1.691 1360 H HN 0.419 nan 8.280 nan 0.000 0.588 1361 G N 0.000 108.840 108.800 0.067 0.000 5.446 1361 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 1361 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1361 G CA 0.000 45.150 45.100 0.083 0.000 0.502 1361 G HN 0.000 nan 8.290 nan 0.000 0.925