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 2e49_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MRVVVIGAGV IGLSTALCIH ERYHSVLQPL DIKVYADRFT PLTTTDVAAG DATA SEQUENCE LWQPYLSDPN NPQEADWSQQ TFDYLLSHVH SPNAENLGLF LISGYNLFHE DATA SEQUENCE AIPDPSWKDT VLGFRKLTPR ELDMFPDYGY GWFHTSLILE GKNYLQWLTE DATA SEQUENCE RLTERGVKFF QRKVESFEEV AREGADVIVN CTGVWAGALQ RDPLLQPGRG DATA SEQUENCE QIMKVDAPWM KHFILTHDPE RGIYNSPYII PGTQTVTLGG IFQLGNWSEL DATA SEQUENCE NNIQDHNTIW EGCCRLEPTL KNARIIGERT GFRPVRPQIR LEREQLRTGP DATA SEQUENCE SNTEVIHNYG HGGYGLTIHW GCALEAAKLF GRILEEKKLS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.315 176.300 0.026 0.000 1.140 1001 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1001 M CB 0.000 32.613 32.600 0.022 0.000 1.302 1002 R N 2.381 122.893 120.500 0.020 0.000 2.387 1002 R HA 0.796 5.149 4.340 0.021 0.000 0.314 1002 R C -1.469 174.841 176.300 0.018 0.000 0.958 1002 R CA -0.940 55.167 56.100 0.012 0.000 0.846 1002 R CB 2.163 32.465 30.300 0.002 0.000 1.147 1002 R HN 0.454 nan 8.270 nan 0.000 0.447 1003 V N 3.479 123.392 119.914 -0.003 0.000 2.540 1003 V HA 0.411 4.544 4.120 0.021 0.000 0.302 1003 V C -0.348 175.687 176.094 -0.099 0.000 1.035 1003 V CA -0.876 61.413 62.300 -0.018 0.000 0.873 1003 V CB 2.118 33.926 31.823 -0.024 0.000 0.992 1003 V HN 0.451 nan 8.190 nan 0.000 0.428 1004 V N 5.050 124.898 119.914 -0.110 0.000 2.448 1004 V HA 0.487 4.620 4.120 0.021 0.000 0.295 1004 V C -0.356 175.646 176.094 -0.154 0.000 1.025 1004 V CA -0.574 61.598 62.300 -0.214 0.000 0.859 1004 V CB 2.046 33.732 31.823 -0.230 0.000 0.988 1004 V HN 0.622 nan 8.190 nan 0.000 0.431 1005 V N 6.547 126.347 119.914 -0.190 0.000 2.334 1005 V HA 0.465 4.598 4.120 0.021 0.000 0.281 1005 V C -0.043 176.026 176.094 -0.041 0.000 1.016 1005 V CA -0.385 61.858 62.300 -0.095 0.000 0.832 1005 V CB 1.348 33.109 31.823 -0.103 0.000 0.999 1005 V HN 0.683 nan 8.190 nan 0.000 0.439 1006 I N 4.140 124.740 120.570 0.051 0.000 2.371 1006 I HA 0.720 4.903 4.170 0.021 0.000 0.290 1006 I C 0.852 177.027 176.117 0.097 0.000 1.028 1006 I CA -0.007 61.366 61.300 0.121 0.000 1.345 1006 I CB 1.036 39.153 38.000 0.196 0.000 1.407 1006 I HN 0.822 nan 8.210 nan 0.000 0.501 1007 G N 4.337 113.174 108.800 0.062 0.000 3.435 1007 G HA2 0.163 4.135 3.960 0.021 0.000 0.683 1007 G HA3 0.163 4.135 3.960 0.021 0.000 0.683 1007 G C -0.374 174.528 174.900 0.003 0.000 1.189 1007 G CA -0.373 44.749 45.100 0.036 0.000 1.069 1007 G HN 0.989 nan 8.290 nan 0.000 0.508 1008 A N 1.508 124.266 122.820 -0.103 0.000 3.003 1008 A HA 0.788 5.121 4.320 0.021 0.000 0.301 1008 A C 1.199 178.767 177.584 -0.026 0.000 1.280 1008 A CA 0.959 52.950 52.037 -0.077 0.000 0.973 1008 A CB -0.081 18.665 19.000 -0.425 0.000 1.110 1008 A HN 2.025 nan 8.150 nan 0.000 0.590 1009 G N -1.843 106.969 108.800 0.020 0.000 2.597 1009 G HA2 0.425 4.397 3.960 0.021 0.000 0.317 1009 G HA3 0.425 4.397 3.960 0.021 0.000 0.317 1009 G C 1.006 175.928 174.900 0.036 0.000 1.230 1009 G CA 0.223 45.349 45.100 0.044 0.000 0.996 1009 G HN 0.419 nan 8.290 nan 0.000 0.490 1010 V N 0.446 120.378 119.914 0.031 0.000 2.236 1010 V HA -0.236 3.897 4.120 0.021 0.000 0.255 1010 V C 2.662 178.772 176.094 0.026 0.000 1.068 1010 V CA 2.207 64.515 62.300 0.014 0.000 1.044 1010 V CB -0.538 31.307 31.823 0.037 0.000 0.653 1010 V HN 0.577 nan 8.190 nan 0.000 0.448 1011 I N 0.869 121.438 120.570 -0.002 0.000 2.163 1011 I HA -0.174 4.009 4.170 0.021 0.000 0.243 1011 I C 2.734 178.869 176.117 0.030 0.000 1.085 1011 I CA 2.048 63.330 61.300 -0.029 0.000 1.347 1011 I CB -2.241 35.685 38.000 -0.124 0.000 1.044 1011 I HN 0.471 nan 8.210 nan 0.000 0.408 1012 G N 0.607 109.433 108.800 0.044 0.000 2.418 1012 G HA2 -0.156 3.817 3.960 0.021 0.000 0.217 1012 G HA3 -0.156 3.817 3.960 0.021 0.000 0.217 1012 G C 1.833 176.759 174.900 0.044 0.000 1.158 1012 G CA 0.406 45.536 45.100 0.050 0.000 0.771 1012 G HN 0.326 nan 8.290 nan 0.000 0.545 1013 L N 1.229 122.485 121.223 0.054 0.000 2.162 1013 L HA -0.015 4.337 4.340 0.021 0.000 0.205 1013 L C 3.341 180.242 176.870 0.052 0.000 1.086 1013 L CA 1.124 56.002 54.840 0.063 0.000 0.778 1013 L CB -0.467 41.628 42.059 0.059 0.000 0.928 1013 L HN 0.408 nan 8.230 nan 0.000 0.446 1014 S N -0.560 115.192 115.700 0.086 0.000 2.365 1014 S HA -0.238 4.245 4.470 0.021 0.000 0.225 1014 S C 1.927 176.578 174.600 0.085 0.000 1.039 1014 S CA 1.987 60.326 58.200 0.231 0.000 1.033 1014 S CB -1.100 62.380 63.200 0.468 0.000 0.887 1014 S HN 0.393 nan 8.310 nan 0.000 0.447 1015 T N 3.199 117.759 114.554 0.010 0.000 2.622 1015 T HA 0.011 4.374 4.350 0.021 0.000 0.266 1015 T C 2.302 176.951 174.700 -0.085 0.000 1.047 1015 T CA 1.551 63.605 62.100 -0.077 0.000 1.159 1015 T CB -1.168 67.665 68.868 -0.057 0.000 0.863 1015 T HN 0.658 nan 8.240 nan 0.000 0.422 1016 A N 1.326 124.113 122.820 -0.055 0.000 1.927 1016 A HA -0.110 4.223 4.320 0.021 0.000 0.220 1016 A C 2.309 179.870 177.584 -0.038 0.000 1.185 1016 A CA 1.819 53.813 52.037 -0.072 0.000 0.639 1016 A CB -0.940 18.023 19.000 -0.063 0.000 0.820 1016 A HN 0.415 nan 8.150 nan 0.000 0.451 1017 L N -0.832 120.387 121.223 -0.008 0.000 2.027 1017 L HA -0.115 4.238 4.340 0.021 0.000 0.206 1017 L C 2.530 179.421 176.870 0.034 0.000 1.074 1017 L CA 2.364 57.212 54.840 0.014 0.000 0.745 1017 L CB -0.858 41.230 42.059 0.049 0.000 0.898 1017 L HN 0.488 nan 8.230 nan 0.000 0.433 1018 C N -0.704 118.569 119.300 -0.045 0.000 2.446 1018 C HA 0.006 4.479 4.460 0.021 0.000 0.279 1018 C C 2.638 177.548 174.990 -0.133 0.000 1.366 1018 C CA 0.386 59.295 59.018 -0.182 0.000 1.763 1018 C CB -0.990 26.435 27.740 -0.526 0.000 1.929 1018 C HN 0.611 nan 8.230 nan 0.000 0.509 1019 I N -0.527 119.972 120.570 -0.120 0.000 2.406 1019 I HA -0.106 4.077 4.170 0.021 0.000 0.249 1019 I C 2.670 178.751 176.117 -0.060 0.000 1.122 1019 I CA 1.112 62.324 61.300 -0.146 0.000 1.431 1019 I CB -0.763 37.000 38.000 -0.396 0.000 1.087 1019 I HN 0.507 nan 8.210 nan 0.000 0.424 1020 H N 1.606 120.609 119.070 -0.110 0.000 2.274 1020 H HA -0.239 4.330 4.556 0.021 0.000 0.296 1020 H C 2.058 177.399 175.328 0.022 0.000 1.061 1020 H CA 2.365 58.386 56.048 -0.044 0.000 1.226 1020 H CB -0.279 29.445 29.762 -0.063 0.000 1.370 1020 H HN 0.297 nan 8.280 nan 0.000 0.507 1021 E N 0.054 120.433 120.200 0.297 0.000 2.082 1021 E HA -0.344 4.019 4.350 0.021 0.000 0.215 1021 E C 2.551 179.196 176.600 0.075 0.000 1.048 1021 E CA 2.182 58.713 56.400 0.219 0.000 0.869 1021 E CB -0.183 29.603 29.700 0.143 0.000 0.773 1021 E HN 0.211 nan 8.360 nan 0.000 0.466 1022 R N -0.468 119.992 120.500 -0.067 0.000 2.091 1022 R HA -0.166 4.187 4.340 0.021 0.000 0.238 1022 R C 1.235 177.249 176.300 -0.477 0.000 1.136 1022 R CA 1.977 57.889 56.100 -0.314 0.000 0.959 1022 R CB -0.473 29.537 30.300 -0.482 0.000 0.856 1022 R HN 0.362 nan 8.270 nan 0.000 0.437 1023 Y N -0.898 119.416 120.300 0.023 0.000 2.658 1023 Y HA 0.183 4.745 4.550 0.021 0.000 0.276 1023 Y C 1.212 177.092 175.900 -0.034 0.000 1.167 1023 Y CA -0.013 58.104 58.100 0.028 0.000 1.230 1023 Y CB -0.101 38.443 38.460 0.139 0.000 1.144 1023 Y HN 0.299 nan 8.280 nan 0.000 0.529 1024 H N 0.042 119.070 119.070 -0.071 0.000 2.357 1024 H HA -0.140 4.429 4.556 0.021 0.000 0.301 1024 H C 2.166 177.468 175.328 -0.044 0.000 1.082 1024 H CA 1.980 57.931 56.048 -0.162 0.000 1.342 1024 H CB -0.017 29.652 29.762 -0.153 0.000 1.389 1024 H HN 0.187 nan 8.280 nan 0.000 0.511 1025 S N 0.369 115.816 115.700 -0.422 0.000 2.362 1025 S HA -0.075 4.408 4.470 0.021 0.000 0.221 1025 S C 1.411 175.907 174.600 -0.174 0.000 1.032 1025 S CA 0.698 58.654 58.200 -0.406 0.000 0.973 1025 S CB -0.879 62.192 63.200 -0.214 0.000 0.849 1025 S HN 0.352 nan 8.310 nan 0.000 0.465 1026 V N 0.302 120.186 119.914 -0.049 0.000 2.135 1026 V HA 0.710 4.843 4.120 0.021 0.000 0.287 1026 V C -0.358 175.764 176.094 0.048 0.000 1.607 1026 V CA -0.508 61.803 62.300 0.019 0.000 1.585 1026 V CB -0.961 30.908 31.823 0.076 0.000 1.470 1026 V HN 0.507 nan 8.190 nan 0.000 0.513 1027 L N 1.158 122.381 121.223 -0.001 0.000 3.586 1027 L HA 0.236 4.588 4.340 0.021 0.000 0.267 1027 L C 0.595 177.459 176.870 -0.010 0.000 0.980 1027 L CA -0.127 54.719 54.840 0.010 0.000 1.199 1027 L CB 2.109 44.200 42.059 0.054 0.000 1.946 1027 L HN 0.409 nan 8.230 nan 0.000 0.595 1028 Q N 4.954 124.749 119.800 -0.009 0.000 1.942 1028 Q HA 0.106 4.459 4.340 0.021 0.000 0.203 1028 Q C -1.571 174.434 176.000 0.009 0.000 0.987 1028 Q CA 1.687 57.487 55.803 -0.006 0.000 0.844 1028 Q CB -0.428 28.308 28.738 -0.004 0.000 0.911 1028 Q HN 0.488 nan 8.270 nan 0.000 0.423 1029 P HA 0.216 nan 4.420 nan 0.000 0.227 1029 P C -1.563 175.750 177.300 0.022 0.000 1.815 1029 P CA -0.311 62.801 63.100 0.019 0.000 1.134 1029 P CB 0.493 32.202 31.700 0.015 0.000 1.795 1030 L N 2.162 123.399 121.223 0.023 0.000 2.302 1030 L HA 0.433 4.786 4.340 0.021 0.000 0.285 1030 L C -0.756 176.121 176.870 0.011 0.000 1.090 1030 L CA -0.010 54.841 54.840 0.018 0.000 0.866 1030 L CB -0.088 41.966 42.059 -0.008 0.000 1.244 1030 L HN 0.031 nan 8.230 nan 0.000 0.435 1031 D N 4.756 125.165 120.400 0.016 0.000 2.441 1031 D HA 0.417 5.070 4.640 0.021 0.000 0.231 1031 D C -0.605 175.689 176.300 -0.010 0.000 1.073 1031 D CA -0.047 53.962 54.000 0.016 0.000 0.850 1031 D CB 0.839 41.651 40.800 0.020 0.000 1.062 1031 D HN 0.445 nan 8.370 nan 0.000 0.524 1032 I N 3.467 124.025 120.570 -0.019 0.000 2.336 1032 I HA 0.305 4.488 4.170 0.021 0.000 0.292 1032 I C 0.421 176.465 176.117 -0.122 0.000 0.991 1032 I CA -0.667 60.586 61.300 -0.079 0.000 1.227 1032 I CB 1.080 39.035 38.000 -0.075 0.000 1.366 1032 I HN 0.029 nan 8.210 nan 0.000 0.466 1033 K N 5.191 125.488 120.400 -0.172 0.000 2.208 1033 K HA 0.740 5.072 4.320 0.021 0.000 0.247 1033 K C -1.192 175.209 176.600 -0.333 0.000 0.953 1033 K CA -0.863 55.306 56.287 -0.197 0.000 0.837 1033 K CB 3.003 35.376 32.500 -0.211 0.000 1.131 1033 K HN 0.268 nan 8.250 nan 0.000 0.431 1034 V N 3.121 122.851 119.914 -0.307 0.000 2.487 1034 V HA 0.331 4.464 4.120 0.021 0.000 0.298 1034 V C -1.256 174.957 176.094 0.199 0.000 1.028 1034 V CA -0.912 61.272 62.300 -0.193 0.000 0.860 1034 V CB 0.854 32.498 31.823 -0.298 0.000 0.991 1034 V HN 0.560 nan 8.190 nan 0.000 0.427 1035 Y N 2.346 122.758 120.300 0.187 0.000 2.457 1035 Y HA 0.906 5.469 4.550 0.021 0.000 0.333 1035 Y C 0.385 176.332 175.900 0.078 0.000 1.119 1035 Y CA -1.322 56.909 58.100 0.219 0.000 1.143 1035 Y CB 2.068 40.615 38.460 0.145 0.000 1.230 1035 Y HN 0.828 nan 8.280 nan 0.000 0.469 1036 A N 1.114 124.051 122.820 0.195 0.000 2.590 1036 A HA 0.417 4.750 4.320 0.021 0.000 0.294 1036 A C -0.381 177.140 177.584 -0.105 0.000 1.046 1036 A CA -0.474 51.476 52.037 -0.145 0.000 0.684 1036 A CB 0.960 19.551 19.000 -0.682 0.000 1.279 1036 A HN 0.607 nan 8.150 nan 0.000 0.415 1037 D N -0.219 120.088 120.400 -0.155 0.000 2.338 1037 D HA 0.140 4.792 4.640 0.021 0.000 0.208 1037 D C 0.374 176.622 176.300 -0.088 0.000 0.997 1037 D CA 1.045 54.985 54.000 -0.099 0.000 0.880 1037 D CB 0.240 40.944 40.800 -0.160 0.000 0.980 1037 D HN 0.531 nan 8.370 nan 0.000 0.509 1038 R N -0.154 120.238 120.500 -0.180 0.000 2.510 1038 R HA 0.368 4.721 4.340 0.021 0.000 0.294 1038 R C -1.140 175.082 176.300 -0.129 0.000 1.056 1038 R CA -0.675 55.377 56.100 -0.080 0.000 0.918 1038 R CB 1.011 31.250 30.300 -0.102 0.000 1.187 1038 R HN -0.101 nan 8.270 nan 0.000 0.437 1039 F N 0.417 120.367 119.950 0.001 0.000 2.375 1039 F HA 0.184 4.725 4.527 0.023 0.000 0.317 1039 F C 2.424 178.217 175.800 -0.011 0.000 1.124 1039 F CA 0.132 58.129 58.000 -0.004 0.000 1.050 1039 F CB 1.160 40.139 39.000 -0.035 0.000 1.314 1039 F HN 0.660 nan 8.300 nan 0.000 0.511 1040 T N 1.123 115.802 114.554 0.209 0.000 2.918 1040 T HA -0.229 4.134 4.350 0.021 0.000 0.249 1040 T C -0.730 174.013 174.700 0.071 0.000 1.040 1040 T CA 2.316 64.476 62.100 0.100 0.000 1.160 1040 T CB -1.111 67.790 68.868 0.055 0.000 0.819 1040 T HN 0.427 nan 8.240 nan 0.000 0.495 1041 P HA 0.277 nan 4.420 nan 0.000 0.255 1041 P C 0.596 177.927 177.300 0.052 0.000 1.248 1041 P CA 0.466 63.595 63.100 0.048 0.000 0.807 1041 P CB -0.130 31.590 31.700 0.034 0.000 1.150 1042 L N -0.414 120.847 121.223 0.064 0.000 3.366 1042 L HA 0.246 4.599 4.340 0.021 0.000 0.304 1042 L C 0.499 177.410 176.870 0.068 0.000 1.292 1042 L CA -0.128 54.746 54.840 0.057 0.000 1.012 1042 L CB 0.608 42.698 42.059 0.052 0.000 1.414 1042 L HN -0.088 nan 8.230 nan 0.000 0.603 1043 T N -5.686 108.917 114.554 0.082 0.000 2.942 1043 T HA 0.249 4.612 4.350 0.021 0.000 0.289 1043 T C 1.293 176.075 174.700 0.137 0.000 1.044 1043 T CA 0.048 62.224 62.100 0.127 0.000 1.023 1043 T CB 1.544 70.478 68.868 0.110 0.000 1.123 1043 T HN 0.138 nan 8.240 nan 0.000 0.512 1044 T N -1.188 113.488 114.554 0.203 0.000 2.897 1044 T HA -0.132 4.231 4.350 0.021 0.000 0.271 1044 T C 1.773 176.514 174.700 0.068 0.000 1.084 1044 T CA 1.684 63.858 62.100 0.122 0.000 1.123 1044 T CB -1.242 67.697 68.868 0.117 0.000 0.865 1044 T HN 0.727 nan 8.240 nan 0.000 0.496 1045 T N 1.952 116.555 114.554 0.082 0.000 3.035 1045 T HA -0.042 4.321 4.350 0.021 0.000 0.268 1045 T C 1.324 176.056 174.700 0.054 0.000 1.109 1045 T CA 1.018 63.154 62.100 0.060 0.000 1.119 1045 T CB -0.263 68.646 68.868 0.068 0.000 0.900 1045 T HN 0.499 nan 8.240 nan 0.000 0.503 1046 D N 0.897 121.330 120.400 0.055 0.000 2.213 1046 D HA 0.035 4.687 4.640 0.021 0.000 0.205 1046 D C 2.130 178.448 176.300 0.031 0.000 0.961 1046 D CA 0.408 54.436 54.000 0.046 0.000 0.853 1046 D CB -0.237 40.591 40.800 0.047 0.000 0.967 1046 D HN 0.251 nan 8.370 nan 0.000 0.496 1047 V N 1.401 121.327 119.914 0.020 0.000 2.667 1047 V HA -0.020 4.113 4.120 0.021 0.000 0.252 1047 V C 1.304 177.399 176.094 0.003 0.000 1.065 1047 V CA 0.605 62.907 62.300 0.004 0.000 1.083 1047 V CB -0.660 31.149 31.823 -0.023 0.000 0.692 1047 V HN 0.137 nan 8.190 nan 0.000 0.468 1048 A N 0.037 122.854 122.820 -0.004 0.000 2.477 1048 A HA 0.517 4.850 4.320 0.021 0.000 0.246 1048 A C 1.599 179.172 177.584 -0.018 0.000 1.078 1048 A CA 0.498 52.519 52.037 -0.028 0.000 0.770 1048 A CB 0.446 19.426 19.000 -0.034 0.000 1.011 1048 A HN 0.459 nan 8.150 nan 0.000 0.494 1049 A N 2.065 124.861 122.820 -0.040 0.000 1.969 1049 A HA 0.369 4.702 4.320 0.021 0.000 0.218 1049 A C 1.866 179.425 177.584 -0.042 0.000 1.169 1049 A CA 1.545 53.567 52.037 -0.026 0.000 0.635 1049 A CB -0.827 18.151 19.000 -0.036 0.000 0.810 1049 A HN 2.696 nan 8.150 nan 0.000 0.445 1050 G N -1.897 106.854 108.800 -0.082 0.000 2.142 1050 G HA2 -0.101 3.872 3.960 0.021 0.000 0.225 1050 G HA3 -0.101 3.872 3.960 0.021 0.000 0.225 1050 G C -0.050 174.782 174.900 -0.114 0.000 1.015 1050 G CA 0.146 45.200 45.100 -0.076 0.000 0.716 1050 G HN 1.095 nan 8.290 nan 0.000 0.508 1051 L N 0.346 121.461 121.223 -0.180 0.000 2.360 1051 L HA 0.671 5.024 4.340 0.021 0.000 0.276 1051 L C 0.550 177.319 176.870 -0.168 0.000 1.121 1051 L CA -1.530 53.167 54.840 -0.238 0.000 0.845 1051 L CB 0.312 42.135 42.059 -0.392 0.000 1.143 1051 L HN 0.234 nan 8.230 nan 0.000 0.452 1052 W N 7.270 128.424 121.300 -0.244 0.000 2.565 1052 W HA 0.380 5.055 4.660 0.025 0.000 0.325 1052 W C -0.198 176.163 176.519 -0.264 0.000 1.408 1052 W CA 0.212 57.468 57.345 -0.148 0.000 1.350 1052 W CB 0.027 29.493 29.460 0.010 0.000 1.426 1052 W HN 0.718 nan 8.180 nan 0.000 0.538 1053 Q N 7.163 126.482 119.800 -0.801 0.000 2.638 1053 Q HA 0.205 4.558 4.340 0.021 0.000 0.227 1053 Q C -2.705 172.788 176.000 -0.845 0.000 0.842 1053 Q CA -1.224 53.996 55.803 -0.972 0.000 1.095 1053 Q CB 1.373 29.771 28.738 -0.568 0.000 1.595 1053 Q HN 0.142 nan 8.270 nan 0.000 0.511 1054 P HA 0.214 nan 4.420 nan 0.000 0.282 1054 P C -0.960 176.242 177.300 -0.163 0.000 1.287 1054 P CA -0.374 62.402 63.100 -0.541 0.000 0.792 1054 P CB 0.378 31.743 31.700 -0.559 0.000 1.163 1055 Y N -0.434 119.699 120.300 -0.280 0.000 2.861 1055 Y HA -0.079 4.482 4.550 0.018 0.000 0.344 1055 Y C 1.890 177.866 175.900 0.127 0.000 1.272 1055 Y CA 0.578 58.616 58.100 -0.103 0.000 1.502 1055 Y CB -0.498 37.851 38.460 -0.185 0.000 1.333 1055 Y HN 0.200 nan 8.280 nan 0.000 0.634 1056 L N 1.129 122.457 121.223 0.175 0.000 2.465 1056 L HA -0.034 4.319 4.340 0.021 0.000 0.224 1056 L C 0.438 177.413 176.870 0.174 0.000 1.145 1056 L CA 0.724 55.730 54.840 0.275 0.000 0.834 1056 L CB -0.535 41.617 42.059 0.156 0.000 0.944 1056 L HN 0.531 nan 8.230 nan 0.000 0.451 1057 S N -2.786 112.995 115.700 0.135 0.000 2.595 1057 S HA 0.370 4.853 4.470 0.021 0.000 0.281 1057 S C -0.871 173.755 174.600 0.044 0.000 1.117 1057 S CA -1.160 57.077 58.200 0.062 0.000 0.873 1057 S CB 1.829 65.052 63.200 0.038 0.000 1.108 1057 S HN -0.106 nan 8.310 nan 0.000 0.477 1058 D N 3.077 123.472 120.400 -0.009 0.000 2.583 1058 D HA 0.244 4.897 4.640 0.021 0.000 0.232 1058 D C -1.944 174.328 176.300 -0.047 0.000 1.128 1058 D CA -0.023 53.955 54.000 -0.038 0.000 0.859 1058 D CB -0.108 40.660 40.800 -0.054 0.000 1.169 1058 D HN 0.345 nan 8.370 nan 0.000 0.481 1059 P HA 0.175 nan 4.420 nan 0.000 0.278 1059 P C 0.684 177.929 177.300 -0.093 0.000 1.266 1059 P CA -0.660 62.375 63.100 -0.107 0.000 0.807 1059 P CB 0.658 32.261 31.700 -0.162 0.000 1.094 1060 N N -0.152 118.498 118.700 -0.083 0.000 2.205 1060 N HA -0.150 4.603 4.740 0.021 0.000 0.186 1060 N C 0.345 175.799 175.510 -0.092 0.000 1.015 1060 N CA 1.197 54.203 53.050 -0.072 0.000 0.862 1060 N CB -0.891 37.562 38.487 -0.057 0.000 0.986 1060 N HN 0.366 nan 8.380 nan 0.000 0.429 1061 N N 1.530 120.158 118.700 -0.119 0.000 2.485 1061 N HA 0.184 4.937 4.740 0.021 0.000 0.243 1061 N C -1.909 173.471 175.510 -0.216 0.000 0.987 1061 N CA -2.099 50.848 53.050 -0.172 0.000 0.940 1061 N CB 1.550 39.922 38.487 -0.193 0.000 1.122 1061 N HN -0.044 nan 8.380 nan 0.000 0.509 1062 P HA -0.059 nan 4.420 nan 0.000 0.236 1062 P C 0.720 177.838 177.300 -0.302 0.000 1.177 1062 P CA 0.589 63.569 63.100 -0.200 0.000 0.773 1062 P CB 0.595 32.209 31.700 -0.143 0.000 0.878 1063 Q N 0.477 120.025 119.800 -0.420 0.000 2.297 1063 Q HA -0.156 4.197 4.340 0.021 0.000 0.208 1063 Q C 1.901 177.124 176.000 -1.295 0.000 0.981 1063 Q CA 1.211 56.575 55.803 -0.731 0.000 0.876 1063 Q CB -0.168 28.140 28.738 -0.717 0.000 0.921 1063 Q HN 0.521 nan 8.270 nan 0.000 0.446 1064 E N 0.082 119.776 120.200 -0.843 0.000 2.051 1064 E HA -0.092 4.270 4.350 0.021 0.000 0.189 1064 E C 1.979 178.475 176.600 -0.175 0.000 0.979 1064 E CA 0.689 56.797 56.400 -0.486 0.000 0.803 1064 E CB -0.018 29.577 29.700 -0.174 0.000 0.761 1064 E HN 0.297 nan 8.360 nan 0.000 0.451 1065 A N 2.145 124.867 122.820 -0.163 0.000 1.884 1065 A HA -0.288 4.045 4.320 0.021 0.000 0.219 1065 A C 1.764 179.372 177.584 0.040 0.000 1.197 1065 A CA 2.212 54.229 52.037 -0.034 0.000 0.637 1065 A CB -0.715 18.253 19.000 -0.052 0.000 0.827 1065 A HN 0.164 nan 8.150 nan 0.000 0.450 1066 D N -1.248 119.127 120.400 -0.043 0.000 2.149 1066 D HA -0.181 4.472 4.640 0.021 0.000 0.198 1066 D C 1.726 178.169 176.300 0.238 0.000 0.990 1066 D CA 1.123 55.154 54.000 0.052 0.000 0.839 1066 D CB -0.357 40.426 40.800 -0.028 0.000 0.948 1066 D HN 0.703 nan 8.370 nan 0.000 0.460 1067 W N 1.561 122.931 121.300 0.116 0.000 2.355 1067 W HA -0.075 4.596 4.660 0.020 0.000 0.309 1067 W C 2.711 179.359 176.519 0.215 0.000 1.206 1067 W CA 0.715 58.145 57.345 0.142 0.000 1.284 1067 W CB -1.331 28.204 29.460 0.124 0.000 1.145 1067 W HN -0.045 nan 8.180 nan 0.000 0.502 1068 S N 0.253 116.231 115.700 0.464 0.000 2.368 1068 S HA -0.279 4.204 4.470 0.021 0.000 0.225 1068 S C 1.694 176.710 174.600 0.693 0.000 1.030 1068 S CA 1.722 60.204 58.200 0.470 0.000 0.999 1068 S CB -0.798 62.530 63.200 0.213 0.000 0.844 1068 S HN 0.392 nan 8.310 nan 0.000 0.459 1069 Q N 1.887 122.001 119.800 0.524 0.000 2.045 1069 Q HA -0.229 4.124 4.340 0.021 0.000 0.206 1069 Q C 2.090 178.308 176.000 0.362 0.000 0.991 1069 Q CA 1.953 57.989 55.803 0.388 0.000 0.851 1069 Q CB -0.588 28.290 28.738 0.234 0.000 0.911 1069 Q HN 0.591 nan 8.270 nan 0.000 0.418 1070 Q N -0.471 119.542 119.800 0.355 0.000 2.112 1070 Q HA -0.180 4.172 4.340 0.021 0.000 0.206 1070 Q C 2.152 178.389 176.000 0.395 0.000 0.987 1070 Q CA 2.282 58.290 55.803 0.341 0.000 0.858 1070 Q CB -0.167 28.767 28.738 0.328 0.000 0.905 1070 Q HN 0.539 nan 8.270 nan 0.000 0.420 1071 T N 0.392 115.201 114.554 0.426 0.000 2.701 1071 T HA -0.162 4.201 4.350 0.021 0.000 0.263 1071 T C 1.343 176.226 174.700 0.305 0.000 1.040 1071 T CA 1.192 63.527 62.100 0.392 0.000 1.147 1071 T CB -0.499 68.586 68.868 0.362 0.000 0.865 1071 T HN 0.277 nan 8.240 nan 0.000 0.426 1072 F N 2.262 122.290 119.950 0.129 0.000 2.065 1072 F HA -0.224 4.316 4.527 0.021 0.000 0.298 1072 F C 1.947 177.633 175.800 -0.190 0.000 1.112 1072 F CA 1.766 59.578 58.000 -0.314 0.000 1.212 1072 F CB -0.344 38.163 39.000 -0.823 0.000 0.975 1072 F HN 0.071 nan 8.300 nan 0.000 0.476 1073 D N -0.966 119.546 120.400 0.186 0.000 2.092 1073 D HA -0.265 4.388 4.640 0.021 0.000 0.193 1073 D C 1.941 178.263 176.300 0.037 0.000 0.994 1073 D CA 1.880 55.949 54.000 0.116 0.000 0.828 1073 D CB -0.885 40.028 40.800 0.187 0.000 0.963 1073 D HN 0.472 nan 8.370 nan 0.000 0.450 1074 Y N 1.215 121.510 120.300 -0.008 0.000 2.151 1074 Y HA -0.227 4.336 4.550 0.021 0.000 0.284 1074 Y C 1.967 177.730 175.900 -0.227 0.000 1.166 1074 Y CA 1.474 59.511 58.100 -0.105 0.000 1.163 1074 Y CB -0.525 37.814 38.460 -0.202 0.000 0.974 1074 Y HN -0.016 nan 8.280 nan 0.000 0.511 1075 L N -0.674 120.278 121.223 -0.451 0.000 2.017 1075 L HA -0.199 4.154 4.340 0.021 0.000 0.208 1075 L C 2.485 179.065 176.870 -0.484 0.000 1.073 1075 L CA 1.456 55.947 54.840 -0.583 0.000 0.745 1075 L CB -0.721 41.082 42.059 -0.426 0.000 0.894 1075 L HN 0.359 nan 8.230 nan 0.000 0.432 1076 L N -0.242 120.678 121.223 -0.506 0.000 2.201 1076 L HA -0.139 4.214 4.340 0.021 0.000 0.212 1076 L C 2.537 179.266 176.870 -0.235 0.000 1.105 1076 L CA 1.684 56.267 54.840 -0.429 0.000 0.775 1076 L CB -0.349 41.392 42.059 -0.530 0.000 0.913 1076 L HN 0.301 nan 8.230 nan 0.000 0.440 1077 S N -2.596 113.012 115.700 -0.152 0.000 2.607 1077 S HA -0.060 4.422 4.470 0.021 0.000 0.224 1077 S C 0.876 175.414 174.600 -0.104 0.000 0.969 1077 S CA 0.604 58.767 58.200 -0.062 0.000 0.927 1077 S CB -0.629 62.604 63.200 0.055 0.000 0.772 1077 S HN 0.671 nan 8.310 nan 0.000 0.533 1078 H N -1.107 117.773 119.070 -0.316 0.000 3.182 1078 H HA 0.392 4.961 4.556 0.022 0.000 0.254 1078 H C 1.313 176.486 175.328 -0.258 0.000 1.197 1078 H CA 0.017 55.877 56.048 -0.313 0.000 1.061 1078 H CB 0.476 29.941 29.762 -0.496 0.000 1.722 1078 H HN 0.239 nan 8.280 nan 0.000 0.662 1079 V N 0.093 119.940 119.914 -0.112 0.000 2.358 1079 V HA -0.198 3.935 4.120 0.021 0.000 0.246 1079 V C 0.850 176.964 176.094 0.033 0.000 1.047 1079 V CA 1.904 64.173 62.300 -0.052 0.000 1.035 1079 V CB -0.090 31.718 31.823 -0.025 0.000 0.658 1079 V HN 0.448 nan 8.190 nan 0.000 0.452 1080 H N 0.017 119.009 119.070 -0.129 0.000 2.704 1080 H HA 0.482 5.051 4.556 0.021 0.000 0.315 1080 H C 0.345 175.605 175.328 -0.114 0.000 1.117 1080 H CA 0.470 56.457 56.048 -0.102 0.000 1.129 1080 H CB -0.167 29.543 29.762 -0.087 0.000 1.439 1080 H HN 0.392 nan 8.280 nan 0.000 0.528 1081 S N -0.384 115.274 115.700 -0.071 0.000 2.607 1081 S HA 0.311 4.794 4.470 0.021 0.000 0.303 1081 S C -1.489 173.054 174.600 -0.096 0.000 1.086 1081 S CA -1.742 56.398 58.200 -0.100 0.000 0.995 1081 S CB 1.271 64.376 63.200 -0.158 0.000 1.084 1081 S HN 0.015 nan 8.310 nan 0.000 0.507 1082 P HA -0.080 nan 4.420 nan 0.000 0.214 1082 P C 0.716 177.971 177.300 -0.076 0.000 1.163 1082 P CA 1.445 64.508 63.100 -0.062 0.000 0.889 1082 P CB -0.132 31.549 31.700 -0.032 0.000 0.790 1083 N N -0.216 118.435 118.700 -0.080 0.000 2.184 1083 N HA -0.186 4.567 4.740 0.021 0.000 0.190 1083 N C 1.688 177.057 175.510 -0.236 0.000 1.011 1083 N CA 1.439 54.401 53.050 -0.147 0.000 0.867 1083 N CB -1.038 37.341 38.487 -0.180 0.000 0.993 1083 N HN 0.096 nan 8.380 nan 0.000 0.433 1084 A N 0.969 123.670 122.820 -0.199 0.000 1.971 1084 A HA -0.293 4.040 4.320 0.021 0.000 0.222 1084 A C 2.153 179.643 177.584 -0.156 0.000 1.182 1084 A CA 1.719 53.638 52.037 -0.196 0.000 0.649 1084 A CB -0.523 18.393 19.000 -0.141 0.000 0.818 1084 A HN 0.349 nan 8.150 nan 0.000 0.458 1085 E N -0.244 119.879 120.200 -0.127 0.000 2.047 1085 E HA -0.185 4.178 4.350 0.021 0.000 0.191 1085 E C 1.709 178.258 176.600 -0.084 0.000 0.987 1085 E CA 1.172 57.513 56.400 -0.098 0.000 0.799 1085 E CB -0.251 29.398 29.700 -0.086 0.000 0.752 1085 E HN 0.574 nan 8.360 nan 0.000 0.449 1086 N N 0.835 119.482 118.700 -0.088 0.000 2.149 1086 N HA -0.161 4.592 4.740 0.021 0.000 0.188 1086 N C 1.809 177.278 175.510 -0.069 0.000 1.019 1086 N CA 0.564 53.587 53.050 -0.043 0.000 0.857 1086 N CB -0.323 38.169 38.487 0.008 0.000 0.997 1086 N HN 0.117 nan 8.380 nan 0.000 0.426 1087 L N 0.161 121.245 121.223 -0.232 0.000 2.201 1087 L HA 0.048 4.401 4.340 0.021 0.000 0.212 1087 L C 1.244 178.081 176.870 -0.056 0.000 1.105 1087 L CA 1.210 55.912 54.840 -0.230 0.000 0.775 1087 L CB -0.742 41.051 42.059 -0.444 0.000 0.913 1087 L HN 0.379 nan 8.230 nan 0.000 0.440 1088 G N -0.476 108.300 108.800 -0.040 0.000 2.160 1088 G HA2 -0.281 3.692 3.960 0.021 0.000 0.244 1088 G HA3 -0.281 3.692 3.960 0.021 0.000 0.244 1088 G C 0.143 175.092 174.900 0.082 0.000 1.022 1088 G CA 0.445 45.562 45.100 0.028 0.000 0.741 1088 G HN 0.305 nan 8.290 nan 0.000 0.508 1089 L N 0.059 121.298 121.223 0.026 0.000 2.331 1089 L HA 0.937 5.289 4.340 0.021 0.000 0.275 1089 L C 0.143 177.144 176.870 0.219 0.000 1.022 1089 L CA -1.203 53.638 54.840 0.001 0.000 0.812 1089 L CB 1.194 43.142 42.059 -0.185 0.000 1.257 1089 L HN 0.576 nan 8.230 nan 0.000 0.435 1090 F N 2.145 122.012 119.950 -0.138 0.000 2.793 1090 F HA 0.407 4.947 4.527 0.022 0.000 0.316 1090 F C -2.012 173.742 175.800 -0.077 0.000 1.147 1090 F CA -1.321 56.619 58.000 -0.100 0.000 0.930 1090 F CB 0.200 39.154 39.000 -0.078 0.000 1.277 1090 F HN 0.157 nan 8.300 nan 0.000 0.443 1091 L N 2.736 123.924 121.223 -0.058 0.000 2.453 1091 L HA 0.714 5.067 4.340 0.021 0.000 0.261 1091 L C -0.368 176.423 176.870 -0.132 0.000 1.179 1091 L CA -0.175 54.583 54.840 -0.135 0.000 0.813 1091 L CB 1.187 43.245 42.059 -0.002 0.000 1.110 1091 L HN 0.743 nan 8.230 nan 0.000 0.466 1092 I N 0.262 120.764 120.570 -0.113 0.000 2.702 1092 I HA 0.364 4.547 4.170 0.021 0.000 0.287 1092 I C -0.920 175.240 176.117 0.070 0.000 1.342 1092 I CA 0.290 61.594 61.300 0.008 0.000 1.063 1092 I CB 1.738 39.702 38.000 -0.060 0.000 1.331 1092 I HN 0.462 nan 8.210 nan 0.000 0.427 1093 S N 4.115 119.757 115.700 -0.097 0.000 2.681 1093 S HA 1.046 5.528 4.470 0.021 0.000 0.299 1093 S C -0.120 173.757 174.600 -1.204 0.000 1.113 1093 S CA -0.096 57.774 58.200 -0.550 0.000 1.013 1093 S CB 1.718 64.574 63.200 -0.573 0.000 1.076 1093 S HN 1.128 nan 8.310 nan 0.000 0.534 1094 G N 0.135 107.708 108.800 -2.044 0.000 2.349 1094 G HA2 0.472 4.444 3.960 0.021 0.000 0.294 1094 G HA3 0.472 4.444 3.960 0.021 0.000 0.294 1094 G C -2.384 171.617 174.900 -1.498 0.000 1.380 1094 G CA -0.789 42.925 45.100 -2.310 0.000 0.811 1094 G HN 0.507 nan 8.290 nan 0.000 0.519 1095 Y N 0.551 120.576 120.300 -0.458 0.000 2.342 1095 Y HA 0.546 5.109 4.550 0.021 0.000 0.334 1095 Y C 0.540 176.472 175.900 0.052 0.000 1.067 1095 Y CA -0.852 57.219 58.100 -0.050 0.000 1.128 1095 Y CB 1.769 40.177 38.460 -0.087 0.000 1.200 1095 Y HN 0.257 nan 8.280 nan 0.000 0.464 1096 N N 4.073 122.978 118.700 0.342 0.000 2.417 1096 N HA 0.473 5.226 4.740 0.021 0.000 0.274 1096 N C -1.489 173.924 175.510 -0.162 0.000 0.987 1096 N CA -0.322 52.861 53.050 0.220 0.000 0.912 1096 N CB 1.275 40.139 38.487 0.627 0.000 1.177 1096 N HN 0.588 nan 8.380 nan 0.000 0.490 1097 L N 2.930 123.866 121.223 -0.479 0.000 2.362 1097 L HA 0.634 4.987 4.340 0.021 0.000 0.271 1097 L C -0.841 175.684 176.870 -0.575 0.000 1.002 1097 L CA -0.748 53.774 54.840 -0.529 0.000 0.818 1097 L CB 1.241 42.823 42.059 -0.794 0.000 1.298 1097 L HN 0.318 nan 8.230 nan 0.000 0.420 1098 F N -0.820 119.240 119.950 0.184 0.000 2.620 1098 F HA 0.361 4.900 4.527 0.020 0.000 0.320 1098 F C 0.732 176.856 175.800 0.541 0.000 1.069 1098 F CA -0.690 57.517 58.000 0.345 0.000 0.953 1098 F CB 1.268 40.367 39.000 0.166 0.000 1.322 1098 F HN 0.360 nan 8.300 nan 0.000 0.479 1099 H N -0.616 118.723 119.070 0.448 0.000 2.551 1099 H HA 0.246 4.816 4.556 0.023 0.000 0.266 1099 H C -0.094 175.331 175.328 0.162 0.000 0.964 1099 H CA 0.799 56.965 56.048 0.197 0.000 1.180 1099 H CB 0.327 30.132 29.762 0.073 0.000 1.408 1099 H HN 0.547 nan 8.280 nan 0.000 0.563 1100 E N -1.697 118.679 120.200 0.294 0.000 2.456 1100 E HA 0.625 4.988 4.350 0.021 0.000 0.278 1100 E C -0.861 175.731 176.600 -0.015 0.000 1.034 1100 E CA -0.370 56.096 56.400 0.109 0.000 0.846 1100 E CB 1.128 30.853 29.700 0.040 0.000 1.460 1100 E HN 0.127 nan 8.360 nan 0.000 0.463 1101 A N 0.535 123.160 122.820 -0.324 0.000 2.387 1101 A HA 0.613 4.945 4.320 0.021 0.000 0.251 1101 A C -0.333 176.943 177.584 -0.512 0.000 1.113 1101 A CA 0.446 51.966 52.037 -0.862 0.000 0.794 1101 A CB 0.030 18.573 19.000 -0.762 0.000 1.069 1101 A HN 0.492 nan 8.150 nan 0.000 0.506 1102 I N -0.759 119.513 120.570 -0.496 0.000 2.591 1102 I HA 0.230 4.413 4.170 0.021 0.000 0.297 1102 I C -2.474 173.570 176.117 -0.122 0.000 1.821 1102 I CA -0.992 60.113 61.300 -0.324 0.000 0.984 1102 I CB 2.089 39.756 38.000 -0.556 0.000 1.548 1102 I HN 0.633 nan 8.210 nan 0.000 0.542 1103 P HA 0.174 nan 4.420 nan 0.000 0.269 1103 P C -0.930 176.489 177.300 0.199 0.000 1.217 1103 P CA -0.069 63.056 63.100 0.042 0.000 0.783 1103 P CB 0.349 32.038 31.700 -0.018 0.000 0.898 1104 D N 1.325 121.806 120.400 0.135 0.000 2.278 1104 D HA 0.072 4.724 4.640 0.021 0.000 0.240 1104 D C -1.574 174.508 176.300 -0.364 0.000 1.347 1104 D CA -0.391 53.557 54.000 -0.087 0.000 0.945 1104 D CB -1.089 39.553 40.800 -0.263 0.000 1.175 1104 D HN 0.301 nan 8.370 nan 0.000 0.519 1105 P HA 0.243 nan 4.420 nan 0.000 0.323 1105 P C 0.136 176.945 177.300 -0.817 0.000 1.363 1105 P CA 0.319 62.778 63.100 -1.067 0.000 0.851 1105 P CB 0.387 30.605 31.700 -2.471 0.000 2.110 1106 S N -2.844 112.294 115.700 -0.936 0.000 3.171 1106 S HA 0.025 4.508 4.470 0.021 0.000 0.258 1106 S C 1.693 176.048 174.600 -0.408 0.000 1.083 1106 S CA -0.271 57.646 58.200 -0.471 0.000 0.801 1106 S CB -1.105 61.978 63.200 -0.194 0.000 0.831 1106 S HN 0.454 nan 8.310 nan 0.000 0.462 1107 W N 3.477 124.642 121.300 -0.225 0.000 2.662 1107 W HA 0.189 4.860 4.660 0.019 0.000 0.249 1107 W C 1.501 177.780 176.519 -0.400 0.000 1.251 1107 W CA 0.590 57.825 57.345 -0.183 0.000 1.277 1107 W CB -0.835 28.671 29.460 0.076 0.000 1.140 1107 W HN 0.484 nan 8.180 nan 0.000 0.645 1108 K N 1.622 121.538 120.400 -0.808 0.000 2.117 1108 K HA -0.297 4.036 4.320 0.021 0.000 0.215 1108 K C 0.946 177.231 176.600 -0.525 0.000 1.053 1108 K CA 2.776 58.407 56.287 -1.093 0.000 0.935 1108 K CB -0.271 31.623 32.500 -1.010 0.000 0.719 1108 K HN 0.002 nan 8.250 nan 0.000 0.460 1109 D N -1.156 119.058 120.400 -0.310 0.000 2.301 1109 D HA -0.000 4.652 4.640 0.021 0.000 0.206 1109 D C 1.580 177.784 176.300 -0.160 0.000 0.979 1109 D CA 0.967 54.866 54.000 -0.169 0.000 0.874 1109 D CB 0.175 40.901 40.800 -0.123 0.000 0.968 1109 D HN 0.278 nan 8.370 nan 0.000 0.510 1110 T N 0.805 115.231 114.554 -0.213 0.000 2.643 1110 T HA -0.092 4.271 4.350 0.021 0.000 0.264 1110 T C 1.355 175.615 174.700 -0.734 0.000 1.045 1110 T CA 1.164 63.029 62.100 -0.392 0.000 1.155 1110 T CB -0.549 68.095 68.868 -0.374 0.000 0.863 1110 T HN 0.101 nan 8.240 nan 0.000 0.420 1111 V N 0.516 120.076 119.914 -0.590 0.000 3.332 1111 V HA 0.264 4.397 4.120 0.021 0.000 0.305 1111 V C 0.271 176.339 176.094 -0.043 0.000 1.114 1111 V CA -1.064 60.995 62.300 -0.402 0.000 1.194 1111 V CB -0.217 31.715 31.823 0.181 0.000 1.027 1111 V HN 0.101 nan 8.190 nan 0.000 0.492 1112 L N 3.113 124.427 121.223 0.152 0.000 2.305 1112 L HA 0.654 5.007 4.340 0.021 0.000 0.281 1112 L C 1.268 178.233 176.870 0.159 0.000 1.085 1112 L CA 1.437 56.364 54.840 0.145 0.000 0.813 1112 L CB 0.318 42.460 42.059 0.139 0.000 1.157 1112 L HN 1.262 nan 8.230 nan 0.000 0.436 1113 G N 3.385 112.266 108.800 0.134 0.000 2.366 1113 G HA2 -0.352 3.621 3.960 0.021 0.000 0.299 1113 G HA3 -0.352 3.621 3.960 0.021 0.000 0.299 1113 G C 0.215 175.226 174.900 0.185 0.000 1.020 1113 G CA 0.207 45.390 45.100 0.139 0.000 1.026 1113 G HN 0.548 nan 8.290 nan 0.000 0.512 1114 F N 1.096 121.073 119.950 0.045 0.000 2.608 1114 F HA 0.467 5.007 4.527 0.022 0.000 0.380 1114 F C 1.025 176.837 175.800 0.021 0.000 1.083 1114 F CA 0.463 58.466 58.000 0.005 0.000 1.266 1114 F CB 0.474 39.378 39.000 -0.160 0.000 1.076 1114 F HN 0.659 nan 8.300 nan 0.000 0.574 1115 R N 3.634 123.698 120.500 -0.726 0.000 2.692 1115 R HA 0.515 4.867 4.340 0.021 0.000 0.269 1115 R C -1.699 174.318 176.300 -0.472 0.000 1.030 1115 R CA -1.429 54.370 56.100 -0.502 0.000 0.882 1115 R CB 0.840 31.076 30.300 -0.107 0.000 1.250 1115 R HN 0.380 nan 8.270 nan 0.000 0.465 1116 K N 1.209 121.463 120.400 -0.244 0.000 2.258 1116 K HA 0.267 4.600 4.320 0.021 0.000 0.264 1116 K C -0.005 176.600 176.600 0.008 0.000 1.007 1116 K CA -0.298 55.959 56.287 -0.050 0.000 0.941 1116 K CB 0.449 32.961 32.500 0.021 0.000 0.966 1116 K HN 0.435 nan 8.250 nan 0.000 0.480 1117 L N 1.026 122.266 121.223 0.028 0.000 2.473 1117 L HA 0.102 4.454 4.340 0.021 0.000 0.265 1117 L C 0.634 177.517 176.870 0.021 0.000 1.243 1117 L CA 0.198 55.075 54.840 0.062 0.000 0.822 1117 L CB 0.372 42.474 42.059 0.071 0.000 1.101 1117 L HN 0.795 nan 8.230 nan 0.000 0.507 1118 T N -2.924 111.647 114.554 0.028 0.000 2.885 1118 T HA 0.369 4.732 4.350 0.021 0.000 0.285 1118 T C -1.881 172.835 174.700 0.026 0.000 1.019 1118 T CA -1.946 60.165 62.100 0.019 0.000 1.010 1118 T CB 1.843 70.709 68.868 -0.004 0.000 1.022 1118 T HN 0.350 nan 8.240 nan 0.000 0.466 1119 P HA -0.254 nan 4.420 nan 0.000 0.217 1119 P C 1.444 178.750 177.300 0.010 0.000 1.162 1119 P CA 1.297 64.416 63.100 0.031 0.000 0.901 1119 P CB 0.142 31.858 31.700 0.026 0.000 0.793 1120 R N 0.072 120.569 120.500 -0.005 0.000 2.120 1120 R HA -0.139 4.214 4.340 0.021 0.000 0.234 1120 R C 2.324 178.596 176.300 -0.047 0.000 1.123 1120 R CA 1.424 57.508 56.100 -0.025 0.000 0.975 1120 R CB -0.183 30.101 30.300 -0.026 0.000 0.866 1120 R HN 0.289 nan 8.270 nan 0.000 0.446 1121 E N 0.015 120.194 120.200 -0.034 0.000 2.112 1121 E HA -0.120 4.243 4.350 0.021 0.000 0.190 1121 E C 1.984 178.548 176.600 -0.059 0.000 0.979 1121 E CA 0.771 57.135 56.400 -0.059 0.000 0.814 1121 E CB 0.038 29.742 29.700 0.007 0.000 0.762 1121 E HN 0.325 nan 8.360 nan 0.000 0.460 1122 L N 1.499 122.733 121.223 0.019 0.000 2.131 1122 L HA -0.203 4.150 4.340 0.021 0.000 0.210 1122 L C 1.794 178.682 176.870 0.031 0.000 1.092 1122 L CA 0.762 55.653 54.840 0.084 0.000 0.759 1122 L CB -0.490 41.625 42.059 0.093 0.000 0.903 1122 L HN 0.046 nan 8.230 nan 0.000 0.435 1123 D N 0.376 120.753 120.400 -0.039 0.000 2.133 1123 D HA -0.232 4.421 4.640 0.021 0.000 0.195 1123 D C 2.259 178.467 176.300 -0.154 0.000 0.997 1123 D CA 1.465 55.423 54.000 -0.070 0.000 0.840 1123 D CB -0.261 40.495 40.800 -0.074 0.000 0.947 1123 D HN 0.383 nan 8.370 nan 0.000 0.452 1124 M N -0.608 118.802 119.600 -0.318 0.000 2.435 1124 M HA -0.097 4.396 4.480 0.021 0.000 0.262 1124 M C -0.056 175.742 176.300 -0.836 0.000 1.065 1124 M CA 0.881 55.805 55.300 -0.628 0.000 1.076 1124 M CB -0.143 31.889 32.600 -0.946 0.000 1.403 1124 M HN -0.120 nan 8.290 nan 0.000 0.454 1125 F N 0.061 119.974 119.950 -0.062 0.000 2.564 1125 F HA 0.331 4.872 4.527 0.023 0.000 0.368 1125 F C -1.694 174.147 175.800 0.068 0.000 1.127 1125 F CA -2.662 55.339 58.000 0.002 0.000 1.170 1125 F CB 0.063 39.042 39.000 -0.035 0.000 1.397 1125 F HN -0.168 nan 8.300 nan 0.000 0.493 1126 P HA -0.183 nan 4.420 nan 0.000 0.215 1126 P C 0.787 178.134 177.300 0.077 0.000 1.157 1126 P CA 1.510 64.661 63.100 0.084 0.000 0.868 1126 P CB 0.422 32.144 31.700 0.037 0.000 0.788 1127 D N -1.758 118.701 120.400 0.098 0.000 2.411 1127 D HA -0.081 4.572 4.640 0.021 0.000 0.226 1127 D C 0.185 176.160 176.300 -0.541 0.000 0.988 1127 D CA 1.024 54.926 54.000 -0.163 0.000 0.938 1127 D CB -0.500 40.211 40.800 -0.149 0.000 0.883 1127 D HN 0.317 nan 8.370 nan 0.000 0.525 1128 Y N -2.072 118.193 120.300 -0.059 0.000 2.570 1128 Y HA 0.563 5.126 4.550 0.020 0.000 0.345 1128 Y C 1.362 177.264 175.900 0.003 0.000 1.014 1128 Y CA -1.003 57.061 58.100 -0.060 0.000 1.063 1128 Y CB 2.343 40.824 38.460 0.035 0.000 1.272 1128 Y HN -0.238 nan 8.280 nan 0.000 0.477 1129 G N -0.339 108.572 108.800 0.184 0.000 2.833 1129 G HA2 0.105 4.078 3.960 0.021 0.000 0.214 1129 G HA3 0.105 4.078 3.960 0.021 0.000 0.214 1129 G C -1.150 173.921 174.900 0.285 0.000 1.075 1129 G CA 0.294 45.495 45.100 0.169 0.000 0.799 1129 G HN 0.489 nan 8.290 nan 0.000 0.541 1130 Y N -0.541 119.868 120.300 0.182 0.000 2.581 1130 Y HA 0.583 5.146 4.550 0.021 0.000 0.337 1130 Y C -0.055 176.003 175.900 0.262 0.000 1.108 1130 Y CA -0.222 57.980 58.100 0.171 0.000 1.033 1130 Y CB 1.747 40.266 38.460 0.099 0.000 1.318 1130 Y HN 0.334 nan 8.280 nan 0.000 0.459 1131 G N 1.399 109.938 108.800 -0.434 0.000 2.428 1131 G HA2 0.384 4.357 3.960 0.021 0.000 0.304 1131 G HA3 0.384 4.357 3.960 0.021 0.000 0.304 1131 G C -2.348 172.461 174.900 -0.153 0.000 1.303 1131 G CA -0.860 44.151 45.100 -0.149 0.000 0.825 1131 G HN 0.495 nan 8.290 nan 0.000 0.484 1132 W N -1.098 120.317 121.300 0.191 0.000 2.850 1132 W HA 0.828 5.500 4.660 0.020 0.000 0.349 1132 W C -1.200 175.490 176.519 0.285 0.000 1.133 1132 W CA -1.557 55.875 57.345 0.144 0.000 1.117 1132 W CB 1.735 31.363 29.460 0.281 0.000 1.442 1132 W HN 0.487 nan 8.180 nan 0.000 0.575 1133 F N 2.536 122.658 119.950 0.287 0.000 2.596 1133 F HA 0.488 5.028 4.527 0.022 0.000 0.311 1133 F C -0.550 175.397 175.800 0.245 0.000 1.116 1133 F CA -0.374 57.734 58.000 0.180 0.000 0.957 1133 F CB 1.079 40.078 39.000 -0.001 0.000 1.250 1133 F HN 0.399 nan 8.300 nan 0.000 0.444 1134 H N 1.124 119.784 119.070 -0.682 0.000 2.902 1134 H HA 0.478 5.047 4.556 0.021 0.000 0.297 1134 H C -1.874 173.190 175.328 -0.440 0.000 1.406 1134 H CA -1.125 54.727 56.048 -0.327 0.000 1.134 1134 H CB 1.179 31.053 29.762 0.186 0.000 1.833 1134 H HN 0.406 nan 8.280 nan 0.000 0.527 1135 T N 1.056 115.544 114.554 -0.109 0.000 2.786 1135 T HA 0.490 4.853 4.350 0.021 0.000 0.283 1135 T C 0.091 174.851 174.700 0.101 0.000 0.992 1135 T CA -0.409 61.639 62.100 -0.086 0.000 0.954 1135 T CB 1.716 70.570 68.868 -0.023 0.000 0.934 1135 T HN 0.635 nan 8.240 nan 0.000 0.440 1136 S N 2.521 118.271 115.700 0.084 0.000 2.894 1136 S HA 0.874 5.357 4.470 0.021 0.000 0.298 1136 S C -1.407 173.173 174.600 -0.033 0.000 1.054 1136 S CA -0.718 57.587 58.200 0.175 0.000 0.903 1136 S CB 0.558 63.859 63.200 0.169 0.000 1.356 1136 S HN 0.561 nan 8.310 nan 0.000 0.626 1137 L N 1.311 122.484 121.223 -0.083 0.000 2.422 1137 L HA 0.621 4.974 4.340 0.021 0.000 0.264 1137 L C -1.179 175.531 176.870 -0.267 0.000 0.984 1137 L CA -0.465 54.204 54.840 -0.285 0.000 0.819 1137 L CB 1.922 43.729 42.059 -0.419 0.000 1.330 1137 L HN 0.525 nan 8.230 nan 0.000 0.410 1138 I N 3.208 123.477 120.570 -0.502 0.000 2.339 1138 I HA 0.273 4.456 4.170 0.021 0.000 0.290 1138 I C -0.912 175.047 176.117 -0.264 0.000 0.994 1138 I CA -0.568 60.492 61.300 -0.400 0.000 1.191 1138 I CB 1.918 39.582 38.000 -0.560 0.000 1.343 1138 I HN 0.324 nan 8.210 nan 0.000 0.458 1139 L N 7.746 128.874 121.223 -0.159 0.000 2.335 1139 L HA 0.360 4.713 4.340 0.021 0.000 0.268 1139 L C -0.010 176.805 176.870 -0.091 0.000 1.037 1139 L CA -0.100 54.630 54.840 -0.184 0.000 0.895 1139 L CB 0.483 42.361 42.059 -0.303 0.000 1.266 1139 L HN 0.466 nan 8.230 nan 0.000 0.439 1140 E N 2.481 122.683 120.200 0.003 0.000 2.415 1140 E HA 0.108 4.470 4.350 0.021 0.000 0.263 1140 E C 0.960 177.607 176.600 0.079 0.000 0.995 1140 E CA 0.542 56.973 56.400 0.053 0.000 0.915 1140 E CB 0.994 30.749 29.700 0.092 0.000 0.951 1140 E HN 0.831 nan 8.360 nan 0.000 0.449 1141 G N 3.489 112.340 108.800 0.084 0.000 2.421 1141 G HA2 -0.245 3.728 3.960 0.021 0.000 0.217 1141 G HA3 -0.245 3.728 3.960 0.021 0.000 0.217 1141 G C 1.373 176.351 174.900 0.129 0.000 1.143 1141 G CA 0.341 45.517 45.100 0.128 0.000 0.784 1141 G HN 0.427 nan 8.290 nan 0.000 0.541 1142 K N 0.115 120.571 120.400 0.093 0.000 2.097 1142 K HA -0.046 4.287 4.320 0.021 0.000 0.205 1142 K C 2.070 178.726 176.600 0.092 0.000 1.050 1142 K CA 1.238 57.571 56.287 0.077 0.000 0.938 1142 K CB -0.031 32.500 32.500 0.053 0.000 0.718 1142 K HN 0.215 nan 8.250 nan 0.000 0.442 1143 N N -0.892 117.875 118.700 0.111 0.000 2.416 1143 N HA -0.081 4.672 4.740 0.021 0.000 0.177 1143 N C 1.123 176.774 175.510 0.235 0.000 1.036 1143 N CA 0.420 53.549 53.050 0.131 0.000 0.901 1143 N CB 0.010 38.548 38.487 0.085 0.000 0.976 1143 N HN 0.154 nan 8.380 nan 0.000 0.444 1144 Y N 0.877 121.219 120.300 0.071 0.000 2.176 1144 Y HA 0.043 4.606 4.550 0.021 0.000 0.291 1144 Y C 1.683 177.678 175.900 0.157 0.000 1.122 1144 Y CA 0.849 59.017 58.100 0.112 0.000 1.128 1144 Y CB -0.518 37.958 38.460 0.025 0.000 1.005 1144 Y HN -0.094 nan 8.280 nan 0.000 0.509 1145 L N 0.421 121.702 121.223 0.097 0.000 1.990 1145 L HA -0.268 4.085 4.340 0.021 0.000 0.213 1145 L C 2.604 179.470 176.870 -0.007 0.000 1.072 1145 L CA 1.947 56.786 54.840 -0.002 0.000 0.755 1145 L CB -1.326 40.755 42.059 0.036 0.000 0.889 1145 L HN 0.239 nan 8.230 nan 0.000 0.432 1146 Q N -1.446 118.382 119.800 0.047 0.000 2.096 1146 Q HA -0.275 4.077 4.340 0.021 0.000 0.204 1146 Q C 2.225 178.258 176.000 0.055 0.000 0.982 1146 Q CA 2.091 57.911 55.803 0.030 0.000 0.850 1146 Q CB -0.503 28.270 28.738 0.058 0.000 0.901 1146 Q HN 0.639 nan 8.270 nan 0.000 0.422 1147 W N 0.678 121.946 121.300 -0.054 0.000 2.407 1147 W HA -0.097 4.575 4.660 0.021 0.000 0.305 1147 W C 1.974 178.437 176.519 -0.093 0.000 1.196 1147 W CA 1.150 58.466 57.345 -0.048 0.000 1.311 1147 W CB -0.543 28.925 29.460 0.013 0.000 1.135 1147 W HN 0.103 nan 8.180 nan 0.000 0.514 1148 L N 0.129 121.261 121.223 -0.152 0.000 2.043 1148 L HA -0.295 4.058 4.340 0.021 0.000 0.212 1148 L C 2.431 179.116 176.870 -0.308 0.000 1.075 1148 L CA 1.977 56.599 54.840 -0.365 0.000 0.752 1148 L CB -1.408 40.478 42.059 -0.288 0.000 0.891 1148 L HN -0.031 nan 8.230 nan 0.000 0.432 1149 T N -0.670 113.748 114.554 -0.226 0.000 2.622 1149 T HA -0.233 4.130 4.350 0.021 0.000 0.266 1149 T C 1.728 176.277 174.700 -0.252 0.000 1.047 1149 T CA 1.691 63.635 62.100 -0.260 0.000 1.159 1149 T CB -0.259 68.405 68.868 -0.339 0.000 0.863 1149 T HN 0.405 nan 8.240 nan 0.000 0.422 1150 E N 0.377 120.421 120.200 -0.261 0.000 2.118 1150 E HA -0.142 4.221 4.350 0.021 0.000 0.195 1150 E C 2.573 179.004 176.600 -0.282 0.000 0.992 1150 E CA 0.801 57.063 56.400 -0.231 0.000 0.804 1150 E CB -0.073 29.520 29.700 -0.178 0.000 0.741 1150 E HN 0.116 nan 8.360 nan 0.000 0.458 1151 R N 0.323 120.550 120.500 -0.455 0.000 2.081 1151 R HA -0.103 4.250 4.340 0.021 0.000 0.235 1151 R C 2.058 178.167 176.300 -0.319 0.000 1.131 1151 R CA 0.801 56.606 56.100 -0.492 0.000 0.960 1151 R CB -0.612 29.196 30.300 -0.820 0.000 0.856 1151 R HN 0.111 nan 8.270 nan 0.000 0.436 1152 L N 0.017 121.109 121.223 -0.220 0.000 2.156 1152 L HA -0.065 4.288 4.340 0.021 0.000 0.208 1152 L C 1.770 178.615 176.870 -0.042 0.000 1.095 1152 L CA 1.826 56.608 54.840 -0.096 0.000 0.770 1152 L CB -0.895 41.259 42.059 0.158 0.000 0.914 1152 L HN 0.231 nan 8.230 nan 0.000 0.439 1153 T N -0.321 114.221 114.554 -0.021 0.000 2.701 1153 T HA -0.200 4.163 4.350 0.021 0.000 0.263 1153 T C 1.601 176.259 174.700 -0.071 0.000 1.040 1153 T CA 1.484 63.581 62.100 -0.005 0.000 1.147 1153 T CB -0.245 68.591 68.868 -0.053 0.000 0.865 1153 T HN 0.581 nan 8.240 nan 0.000 0.426 1154 E N 1.642 121.773 120.200 -0.116 0.000 2.209 1154 E HA -0.182 4.180 4.350 0.021 0.000 0.196 1154 E C 2.124 178.635 176.600 -0.148 0.000 0.993 1154 E CA 0.937 57.268 56.400 -0.115 0.000 0.819 1154 E CB -0.300 29.329 29.700 -0.118 0.000 0.745 1154 E HN 0.402 nan 8.360 nan 0.000 0.477 1155 R N -0.019 120.337 120.500 -0.239 0.000 2.236 1155 R HA 0.052 4.405 4.340 0.021 0.000 0.208 1155 R C 1.368 177.568 176.300 -0.166 0.000 1.036 1155 R CA 0.677 56.543 56.100 -0.390 0.000 1.001 1155 R CB 0.189 29.925 30.300 -0.940 0.000 0.896 1155 R HN 0.472 nan 8.270 nan 0.000 0.464 1156 G N 0.337 109.081 108.800 -0.094 0.000 2.179 1156 G HA2 -0.233 3.740 3.960 0.021 0.000 0.220 1156 G HA3 -0.233 3.740 3.960 0.021 0.000 0.220 1156 G C 0.187 175.075 174.900 -0.019 0.000 0.990 1156 G CA -0.112 44.979 45.100 -0.016 0.000 0.646 1156 G HN 0.114 nan 8.290 nan 0.000 0.517 1157 V N 2.244 122.117 119.914 -0.069 0.000 2.509 1157 V HA 0.202 4.335 4.120 0.021 0.000 0.297 1157 V C 1.036 176.974 176.094 -0.261 0.000 1.014 1157 V CA 0.677 62.867 62.300 -0.183 0.000 1.127 1157 V CB 0.665 32.312 31.823 -0.294 0.000 0.925 1157 V HN 0.378 nan 8.190 nan 0.000 0.480 1158 K N 4.515 124.767 120.400 -0.246 0.000 2.087 1158 K HA 0.630 4.963 4.320 0.021 0.000 0.255 1158 K C -0.952 175.290 176.600 -0.597 0.000 0.988 1158 K CA -0.311 55.817 56.287 -0.265 0.000 0.915 1158 K CB 1.140 33.585 32.500 -0.092 0.000 1.043 1158 K HN 0.447 nan 8.250 nan 0.000 0.457 1159 F N 1.258 120.860 119.950 -0.579 0.000 2.520 1159 F HA 0.456 4.996 4.527 0.021 0.000 0.322 1159 F C -0.586 174.813 175.800 -0.669 0.000 1.103 1159 F CA -0.846 56.954 58.000 -0.333 0.000 0.926 1159 F CB 1.138 40.031 39.000 -0.178 0.000 1.154 1159 F HN 0.279 nan 8.300 nan 0.000 0.453 1160 F N 1.340 121.606 119.950 0.527 0.000 2.565 1160 F HA 0.356 4.896 4.527 0.021 0.000 0.313 1160 F C -0.027 176.065 175.800 0.487 0.000 1.091 1160 F CA -0.952 57.289 58.000 0.402 0.000 0.915 1160 F CB 1.767 40.969 39.000 0.338 0.000 1.208 1160 F HN 0.309 nan 8.300 nan 0.000 0.453 1161 Q N 4.715 124.808 119.800 0.488 0.000 2.901 1161 Q HA 0.247 4.599 4.340 0.021 0.000 0.265 1161 Q C -0.916 175.218 176.000 0.223 0.000 1.263 1161 Q CA -0.354 55.727 55.803 0.464 0.000 1.088 1161 Q CB 0.222 29.165 28.738 0.342 0.000 1.339 1161 Q HN 0.891 nan 8.270 nan 0.000 0.546 1162 R N 0.259 120.854 120.500 0.157 0.000 2.686 1162 R HA 0.483 4.836 4.340 0.021 0.000 0.286 1162 R C -0.792 175.495 176.300 -0.020 0.000 0.969 1162 R CA -0.912 55.189 56.100 0.002 0.000 0.898 1162 R CB 1.565 31.775 30.300 -0.149 0.000 1.183 1162 R HN -0.050 nan 8.270 nan 0.000 0.456 1163 K N 3.233 123.602 120.400 -0.051 0.000 2.250 1163 K HA 0.134 4.467 4.320 0.021 0.000 0.285 1163 K C -0.459 176.095 176.600 -0.076 0.000 1.097 1163 K CA -0.458 55.790 56.287 -0.066 0.000 0.913 1163 K CB 0.943 33.393 32.500 -0.083 0.000 1.179 1163 K HN 0.472 nan 8.250 nan 0.000 0.462 1164 V N 4.426 124.310 119.914 -0.050 0.000 2.673 1164 V HA -0.052 4.081 4.120 0.021 0.000 0.303 1164 V C 1.186 177.225 176.094 -0.091 0.000 1.046 1164 V CA 0.478 62.749 62.300 -0.049 0.000 1.126 1164 V CB 1.030 32.873 31.823 0.033 0.000 0.934 1164 V HN 0.813 nan 8.190 nan 0.000 0.487 1165 E N 2.069 122.207 120.200 -0.104 0.000 2.460 1165 E HA 0.149 4.512 4.350 0.021 0.000 0.200 1165 E C 0.503 176.996 176.600 -0.178 0.000 1.011 1165 E CA 0.561 56.886 56.400 -0.126 0.000 0.912 1165 E CB 0.960 30.602 29.700 -0.098 0.000 0.953 1165 E HN 0.803 nan 8.360 nan 0.000 0.494 1166 S N -1.055 114.524 115.700 -0.202 0.000 2.606 1166 S HA 0.177 4.660 4.470 0.021 0.000 0.290 1166 S C 0.056 174.549 174.600 -0.178 0.000 1.103 1166 S CA -0.685 57.351 58.200 -0.273 0.000 0.870 1166 S CB -0.299 62.824 63.200 -0.128 0.000 1.077 1166 S HN -0.140 nan 8.310 nan 0.000 0.448 1167 F N 1.673 121.649 119.950 0.043 0.000 2.126 1167 F HA 0.049 4.587 4.527 0.019 0.000 0.299 1167 F C 2.507 178.328 175.800 0.035 0.000 1.096 1167 F CA 1.694 59.722 58.000 0.047 0.000 1.255 1167 F CB -1.026 38.004 39.000 0.051 0.000 0.997 1167 F HN 0.695 nan 8.300 nan 0.000 0.479 1168 E N 0.440 120.750 120.200 0.183 0.000 2.049 1168 E HA -0.257 4.106 4.350 0.021 0.000 0.198 1168 E C 2.211 178.854 176.600 0.071 0.000 1.007 1168 E CA 1.585 58.049 56.400 0.106 0.000 0.809 1168 E CB -0.493 29.247 29.700 0.066 0.000 0.749 1168 E HN 0.486 nan 8.360 nan 0.000 0.450 1169 E N -0.067 120.158 120.200 0.040 0.000 2.164 1169 E HA -0.275 4.088 4.350 0.021 0.000 0.206 1169 E C 1.792 178.419 176.600 0.046 0.000 1.032 1169 E CA 2.042 58.453 56.400 0.020 0.000 0.832 1169 E CB 0.015 29.708 29.700 -0.012 0.000 0.742 1169 E HN 0.185 nan 8.360 nan 0.000 0.460 1170 V N 0.540 120.511 119.914 0.095 0.000 2.535 1170 V HA -0.061 4.071 4.120 0.021 0.000 0.246 1170 V C 2.400 178.555 176.094 0.102 0.000 1.045 1170 V CA 1.239 63.621 62.300 0.136 0.000 1.058 1170 V CB -0.553 31.401 31.823 0.218 0.000 0.689 1170 V HN 0.429 nan 8.190 nan 0.000 0.461 1171 A N 1.194 124.072 122.820 0.097 0.000 1.828 1171 A HA -0.262 4.071 4.320 0.021 0.000 0.215 1171 A C 2.376 179.987 177.584 0.044 0.000 1.203 1171 A CA 2.101 54.177 52.037 0.066 0.000 0.614 1171 A CB -0.779 18.262 19.000 0.070 0.000 0.844 1171 A HN 0.440 nan 8.150 nan 0.000 0.445 1172 R N 0.907 121.431 120.500 0.040 0.000 2.244 1172 R HA -0.228 4.125 4.340 0.021 0.000 0.252 1172 R C 1.264 177.575 176.300 0.018 0.000 1.177 1172 R CA 2.064 58.178 56.100 0.024 0.000 1.004 1172 R CB -0.334 29.978 30.300 0.020 0.000 0.873 1172 R HN 0.822 nan 8.270 nan 0.000 0.469 1173 E N -2.052 118.163 120.200 0.025 0.000 2.499 1173 E HA 0.199 4.562 4.350 0.021 0.000 0.199 1173 E C 0.675 177.289 176.600 0.023 0.000 1.016 1173 E CA 0.274 56.684 56.400 0.018 0.000 0.933 1173 E CB 0.898 30.606 29.700 0.012 0.000 1.050 1173 E HN 0.383 nan 8.360 nan 0.000 0.462 1174 G N 0.405 109.220 108.800 0.024 0.000 2.296 1174 G HA2 -0.193 3.780 3.960 0.021 0.000 0.188 1174 G HA3 -0.193 3.780 3.960 0.021 0.000 0.188 1174 G C 0.443 175.352 174.900 0.016 0.000 1.000 1174 G CA -0.379 44.731 45.100 0.016 0.000 0.672 1174 G HN 0.599 nan 8.290 nan 0.000 0.483 1175 A N 0.853 123.690 122.820 0.028 0.000 2.545 1175 A HA 0.480 4.813 4.320 0.021 0.000 0.253 1175 A C 1.199 178.788 177.584 0.009 0.000 1.074 1175 A CA 1.194 53.243 52.037 0.020 0.000 0.760 1175 A CB 0.207 19.231 19.000 0.039 0.000 1.005 1175 A HN 0.213 nan 8.150 nan 0.000 0.506 1176 D N 1.288 121.689 120.400 0.003 0.000 2.144 1176 D HA 0.071 4.724 4.640 0.021 0.000 0.207 1176 D C 0.349 176.642 176.300 -0.011 0.000 0.970 1176 D CA 1.414 55.409 54.000 -0.008 0.000 0.853 1176 D CB -0.058 40.736 40.800 -0.010 0.000 1.007 1176 D HN 0.297 nan 8.370 nan 0.000 0.469 1177 V N 1.302 121.226 119.914 0.017 0.000 2.656 1177 V HA 0.390 4.523 4.120 0.021 0.000 0.307 1177 V C -0.227 175.868 176.094 0.003 0.000 1.051 1177 V CA -0.710 61.602 62.300 0.021 0.000 0.893 1177 V CB 2.571 34.466 31.823 0.119 0.000 0.999 1177 V HN -0.059 nan 8.190 nan 0.000 0.426 1178 I N 4.327 124.871 120.570 -0.043 0.000 2.355 1178 I HA 0.380 4.563 4.170 0.021 0.000 0.288 1178 I C -0.507 175.553 176.117 -0.095 0.000 0.999 1178 I CA -0.727 60.542 61.300 -0.052 0.000 1.163 1178 I CB 1.924 39.906 38.000 -0.029 0.000 1.316 1178 I HN 0.332 nan 8.210 nan 0.000 0.454 1179 V N 5.217 125.104 119.914 -0.046 0.000 2.353 1179 V HA 0.163 4.296 4.120 0.021 0.000 0.264 1179 V C 0.279 176.399 176.094 0.043 0.000 1.049 1179 V CA -0.632 61.650 62.300 -0.030 0.000 0.896 1179 V CB 0.765 32.571 31.823 -0.027 0.000 1.025 1179 V HN 0.648 nan 8.190 nan 0.000 0.475 1180 N N 4.235 122.977 118.700 0.070 0.000 2.508 1180 N HA 0.184 4.937 4.740 0.021 0.000 0.253 1180 N C -0.361 175.321 175.510 0.287 0.000 1.145 1180 N CA -0.207 52.993 53.050 0.249 0.000 0.973 1180 N CB 0.169 38.918 38.487 0.437 0.000 1.305 1180 N HN 0.720 nan 8.380 nan 0.000 0.506 1181 C N 2.557 121.984 119.300 0.212 0.000 3.094 1181 C HA 0.301 4.774 4.460 0.021 0.000 0.262 1181 C C 1.322 176.429 174.990 0.195 0.000 1.459 1181 C CA -0.698 58.444 59.018 0.207 0.000 1.570 1181 C CB -1.301 26.518 27.740 0.131 0.000 2.056 1181 C HN 0.777 nan 8.230 nan 0.000 0.499 1182 T N -2.477 112.206 114.554 0.214 0.000 3.084 1182 T HA 0.460 4.823 4.350 0.021 0.000 0.270 1182 T C 1.219 176.079 174.700 0.267 0.000 1.008 1182 T CA 0.639 62.869 62.100 0.216 0.000 0.900 1182 T CB 0.282 69.255 68.868 0.176 0.000 1.084 1182 T HN 0.996 nan 8.240 nan 0.000 0.538 1183 G N 1.798 110.745 108.800 0.245 0.000 2.602 1183 G HA2 -0.361 3.612 3.960 0.021 0.000 0.306 1183 G HA3 -0.361 3.612 3.960 0.021 0.000 0.306 1183 G C 1.028 175.985 174.900 0.096 0.000 1.301 1183 G CA 0.470 45.697 45.100 0.211 0.000 0.974 1183 G HN 0.873 nan 8.290 nan 0.000 0.547 1184 V N 0.324 120.157 119.914 -0.134 0.000 2.660 1184 V HA -0.091 4.042 4.120 0.021 0.000 0.257 1184 V C 1.862 177.870 176.094 -0.143 0.000 1.088 1184 V CA 2.780 64.891 62.300 -0.316 0.000 1.106 1184 V CB -0.445 30.949 31.823 -0.715 0.000 0.686 1184 V HN 0.597 nan 8.190 nan 0.000 0.481 1185 W N -0.930 120.511 121.300 0.234 0.000 3.325 1185 W HA 0.450 5.125 4.660 0.026 0.000 0.370 1185 W C 1.957 178.476 176.519 -0.001 0.000 1.169 1185 W CA 0.177 57.615 57.345 0.156 0.000 1.874 1185 W CB -0.682 28.838 29.460 0.100 0.000 1.076 1185 W HN 0.435 nan 8.180 nan 0.000 0.684 1186 A N 0.751 123.610 122.820 0.064 0.000 2.067 1186 A HA 0.009 4.342 4.320 0.021 0.000 0.219 1186 A C 2.338 179.834 177.584 -0.147 0.000 1.158 1186 A CA 1.811 53.729 52.037 -0.198 0.000 0.661 1186 A CB -0.918 17.550 19.000 -0.886 0.000 0.801 1186 A HN 0.278 nan 8.150 nan 0.000 0.452 1187 G N 0.082 108.864 108.800 -0.030 0.000 2.491 1187 G HA2 -0.117 3.855 3.960 0.021 0.000 0.218 1187 G HA3 -0.117 3.855 3.960 0.021 0.000 0.218 1187 G C 1.745 176.620 174.900 -0.042 0.000 1.180 1187 G CA 1.493 46.589 45.100 -0.006 0.000 0.774 1187 G HN 0.865 nan 8.290 nan 0.000 0.562 1188 A N 0.024 122.813 122.820 -0.052 0.000 2.076 1188 A HA 0.119 4.452 4.320 0.021 0.000 0.220 1188 A C 2.343 179.845 177.584 -0.137 0.000 1.160 1188 A CA 1.234 53.217 52.037 -0.090 0.000 0.653 1188 A CB -0.262 18.685 19.000 -0.088 0.000 0.801 1188 A HN 0.398 nan 8.150 nan 0.000 0.455 1189 L N -2.393 118.728 121.223 -0.171 0.000 2.446 1189 L HA 0.146 4.498 4.340 0.021 0.000 0.219 1189 L C 0.954 177.677 176.870 -0.245 0.000 1.116 1189 L CA 0.423 55.039 54.840 -0.373 0.000 0.844 1189 L CB 0.248 42.003 42.059 -0.507 0.000 0.970 1189 L HN 0.563 nan 8.230 nan 0.000 0.457 1190 Q N 0.216 119.988 119.800 -0.047 0.000 2.743 1190 Q HA 0.097 4.450 4.340 0.021 0.000 0.219 1190 Q C -0.930 175.098 176.000 0.047 0.000 0.779 1190 Q CA -0.599 55.246 55.803 0.070 0.000 1.089 1190 Q CB 0.787 29.679 28.738 0.257 0.000 1.603 1190 Q HN -0.043 nan 8.270 nan 0.000 0.511 1191 R N 2.567 123.087 120.500 0.034 0.000 3.588 1191 R HA -0.102 4.251 4.340 0.021 0.000 0.321 1191 R C -0.810 175.526 176.300 0.060 0.000 0.664 1191 R CA 0.989 57.111 56.100 0.035 0.000 1.038 1191 R CB -0.310 30.007 30.300 0.029 0.000 0.907 1191 R HN 0.519 nan 8.270 nan 0.000 0.358 1192 D N 4.505 124.949 120.400 0.073 0.000 2.471 1192 D HA 0.257 4.910 4.640 0.021 0.000 0.245 1192 D C -1.900 174.458 176.300 0.097 0.000 1.116 1192 D CA -1.918 52.145 54.000 0.105 0.000 0.853 1192 D CB 1.839 42.750 40.800 0.185 0.000 1.123 1192 D HN 0.138 nan 8.370 nan 0.000 0.540 1193 P HA 0.165 nan 4.420 nan 0.000 0.239 1193 P C 1.339 178.679 177.300 0.066 0.000 1.188 1193 P CA 0.195 63.335 63.100 0.068 0.000 0.794 1193 P CB 0.499 32.230 31.700 0.052 0.000 0.937 1194 L N -1.456 119.806 121.223 0.065 0.000 2.554 1194 L HA 0.105 4.458 4.340 0.021 0.000 0.226 1194 L C 0.852 177.759 176.870 0.062 0.000 1.137 1194 L CA -0.013 54.859 54.840 0.053 0.000 0.863 1194 L CB -0.366 41.714 42.059 0.035 0.000 0.985 1194 L HN -0.026 nan 8.230 nan 0.000 0.451 1195 L N 2.242 123.522 121.223 0.095 0.000 2.282 1195 L HA 0.265 4.618 4.340 0.021 0.000 0.287 1195 L C -0.114 176.794 176.870 0.062 0.000 1.075 1195 L CA 0.080 54.983 54.840 0.105 0.000 0.839 1195 L CB 0.390 42.571 42.059 0.204 0.000 1.219 1195 L HN 0.168 nan 8.230 nan 0.000 0.434 1196 Q N 5.766 125.559 119.800 -0.010 0.000 2.353 1196 Q HA 0.590 4.942 4.340 0.021 0.000 0.268 1196 Q C -2.734 173.091 176.000 -0.291 0.000 1.045 1196 Q CA -2.351 53.381 55.803 -0.118 0.000 0.811 1196 Q CB 1.856 30.549 28.738 -0.076 0.000 1.305 1196 Q HN 0.385 nan 8.270 nan 0.000 0.447 1197 P HA 0.042 nan 4.420 nan 0.000 0.275 1197 P C -0.162 176.840 177.300 -0.498 0.000 1.276 1197 P CA 0.241 62.904 63.100 -0.728 0.000 0.782 1197 P CB 0.481 31.249 31.700 -1.554 0.000 0.851 1198 G N 4.392 112.962 108.800 -0.384 0.000 2.394 1198 G HA2 0.140 4.113 3.960 0.021 0.000 0.298 1198 G HA3 0.140 4.113 3.960 0.021 0.000 0.298 1198 G C 0.124 174.807 174.900 -0.361 0.000 1.087 1198 G CA -0.557 44.154 45.100 -0.650 0.000 1.035 1198 G HN 0.441 nan 8.290 nan 0.000 0.420 1199 R N 2.111 122.451 120.500 -0.267 0.000 2.489 1199 R HA 0.348 4.701 4.340 0.021 0.000 0.287 1199 R C 0.410 176.682 176.300 -0.047 0.000 1.053 1199 R CA 0.145 56.233 56.100 -0.019 0.000 1.036 1199 R CB 0.478 30.810 30.300 0.053 0.000 0.966 1199 R HN 0.486 nan 8.270 nan 0.000 0.432 1200 G N 3.074 111.839 108.800 -0.060 0.000 2.478 1200 G HA2 0.261 4.234 3.960 0.021 0.000 0.317 1200 G HA3 0.261 4.234 3.960 0.021 0.000 0.317 1200 G C -1.467 173.400 174.900 -0.055 0.000 1.259 1200 G CA -0.441 44.649 45.100 -0.017 0.000 0.933 1200 G HN 0.582 nan 8.290 nan 0.000 0.478 1201 Q N 1.091 120.888 119.800 -0.005 0.000 2.340 1201 Q HA 0.640 4.992 4.340 0.021 0.000 0.268 1201 Q C -0.763 175.240 176.000 0.005 0.000 1.031 1201 Q CA -0.771 55.026 55.803 -0.009 0.000 0.804 1201 Q CB 1.780 30.523 28.738 0.009 0.000 1.286 1201 Q HN 0.655 nan 8.270 nan 0.000 0.448 1202 I N -0.346 120.229 120.570 0.008 0.000 3.322 1202 I HA 0.688 4.871 4.170 0.021 0.000 0.313 1202 I C -1.155 174.972 176.117 0.016 0.000 1.129 1202 I CA -1.224 60.083 61.300 0.011 0.000 0.963 1202 I CB 1.997 40.029 38.000 0.053 0.000 1.273 1202 I HN 0.681 nan 8.210 nan 0.000 0.473 1203 M N 1.358 120.970 119.600 0.020 0.000 2.271 1203 M HA 0.512 5.005 4.480 0.021 0.000 0.285 1203 M C -1.742 174.586 176.300 0.047 0.000 1.059 1203 M CA -0.491 54.828 55.300 0.033 0.000 0.940 1203 M CB 1.993 34.609 32.600 0.027 0.000 1.636 1203 M HN 0.613 nan 8.290 nan 0.000 0.460 1204 K N 3.189 123.615 120.400 0.043 0.000 2.293 1204 K HA 0.675 5.008 4.320 0.021 0.000 0.267 1204 K C -1.344 175.281 176.600 0.042 0.000 1.010 1204 K CA -0.580 55.730 56.287 0.039 0.000 0.875 1204 K CB 2.115 34.632 32.500 0.029 0.000 1.106 1204 K HN 0.370 nan 8.250 nan 0.000 0.450 1205 V N 2.130 122.069 119.914 0.042 0.000 2.823 1205 V HA 0.148 4.281 4.120 0.021 0.000 0.312 1205 V C -1.004 175.090 176.094 -0.000 0.000 1.072 1205 V CA -0.842 61.490 62.300 0.054 0.000 0.937 1205 V CB 2.244 34.140 31.823 0.121 0.000 1.013 1205 V HN 0.702 nan 8.190 nan 0.000 0.430 1206 D N 3.400 123.805 120.400 0.008 0.000 2.393 1206 D HA 0.617 5.269 4.640 0.021 0.000 0.232 1206 D C 0.034 176.269 176.300 -0.108 0.000 1.192 1206 D CA 0.279 54.260 54.000 -0.031 0.000 0.882 1206 D CB 0.972 41.784 40.800 0.020 0.000 1.038 1206 D HN 0.756 nan 8.370 nan 0.000 0.499 1207 A N 4.808 127.428 122.820 -0.334 0.000 3.453 1207 A HA 0.334 4.667 4.320 0.021 0.000 0.262 1207 A C -1.812 175.105 177.584 -1.112 0.000 1.026 1207 A CA -0.836 50.617 52.037 -0.974 0.000 0.938 1207 A CB 0.566 18.983 19.000 -0.972 0.000 1.246 1207 A HN 0.376 nan 8.150 nan 0.000 0.546 1208 P HA -0.258 nan 4.420 nan 0.000 0.219 1208 P C 1.448 178.634 177.300 -0.189 0.000 1.158 1208 P CA 2.399 65.373 63.100 -0.210 0.000 0.895 1208 P CB -0.214 31.500 31.700 0.023 0.000 0.792 1209 W N -1.448 119.857 121.300 0.008 0.000 2.331 1209 W HA -0.082 4.591 4.660 0.022 0.000 0.291 1209 W C 0.595 177.106 176.519 -0.013 0.000 1.214 1209 W CA 0.220 57.562 57.345 -0.005 0.000 1.228 1209 W CB -1.914 27.541 29.460 -0.009 0.000 1.135 1209 W HN -0.196 nan 8.180 nan 0.000 0.537 1210 M N 2.777 122.069 119.600 -0.513 0.000 2.408 1210 M HA -0.057 4.436 4.480 0.021 0.000 0.363 1210 M C 0.765 177.004 176.300 -0.103 0.000 1.636 1210 M CA 1.281 56.429 55.300 -0.253 0.000 1.029 1210 M CB 0.195 32.594 32.600 -0.335 0.000 2.068 1210 M HN 0.214 nan 8.290 nan 0.000 0.466 1211 K N 2.203 122.564 120.400 -0.066 0.000 2.450 1211 K HA 0.204 4.537 4.320 0.021 0.000 0.206 1211 K C -0.064 176.614 176.600 0.131 0.000 1.148 1211 K CA 0.293 56.577 56.287 -0.004 0.000 1.014 1211 K CB 0.786 33.250 32.500 -0.060 0.000 0.966 1211 K HN 0.723 nan 8.250 nan 0.000 0.566 1212 H N 0.299 119.413 119.070 0.073 0.000 2.524 1212 H HA 0.256 4.825 4.556 0.021 0.000 0.353 1212 H C -0.444 174.874 175.328 -0.018 0.000 1.136 1212 H CA -1.268 54.750 56.048 -0.050 0.000 1.193 1212 H CB 1.214 30.956 29.762 -0.034 0.000 1.558 1212 H HN -0.117 nan 8.280 nan 0.000 0.515 1213 F N 0.834 120.852 119.950 0.114 0.000 2.410 1213 F HA 0.474 5.014 4.527 0.022 0.000 0.334 1213 F C -0.412 175.439 175.800 0.085 0.000 1.134 1213 F CA -1.031 57.005 58.000 0.061 0.000 1.227 1213 F CB 0.266 39.251 39.000 -0.025 0.000 1.194 1213 F HN 0.309 nan 8.300 nan 0.000 0.571 1214 I N 4.519 125.275 120.570 0.310 0.000 2.714 1214 I HA 0.198 4.381 4.170 0.021 0.000 0.276 1214 I C -1.108 175.054 176.117 0.075 0.000 1.196 1214 I CA -0.337 61.045 61.300 0.137 0.000 1.068 1214 I CB 0.701 38.692 38.000 -0.015 0.000 1.291 1214 I HN 0.505 nan 8.210 nan 0.000 0.530 1215 L N 4.092 125.393 121.223 0.131 0.000 2.360 1215 L HA 0.455 4.808 4.340 0.021 0.000 0.276 1215 L C 0.828 177.446 176.870 -0.420 0.000 1.121 1215 L CA -0.191 54.609 54.840 -0.066 0.000 0.845 1215 L CB 0.529 42.568 42.059 -0.034 0.000 1.143 1215 L HN 0.522 nan 8.230 nan 0.000 0.452 1216 T N -1.302 112.935 114.554 -0.528 0.000 2.948 1216 T HA 0.535 4.898 4.350 0.021 0.000 0.285 1216 T C -0.408 173.794 174.700 -0.830 0.000 1.019 1216 T CA -0.797 60.893 62.100 -0.684 0.000 1.013 1216 T CB 1.706 70.309 68.868 -0.442 0.000 1.117 1216 T HN 0.560 nan 8.240 nan 0.000 0.533 1217 H N 0.828 119.813 119.070 -0.141 0.000 3.096 1217 H HA 0.468 5.036 4.556 0.021 0.000 0.335 1217 H C -1.675 173.689 175.328 0.060 0.000 0.990 1217 H CA -0.646 55.364 56.048 -0.063 0.000 1.393 1217 H CB 1.764 31.425 29.762 -0.167 0.000 1.742 1217 H HN 0.856 nan 8.280 nan 0.000 0.501 1218 D N 3.926 124.379 120.400 0.089 0.000 2.593 1218 D HA 0.299 4.952 4.640 0.021 0.000 0.251 1218 D C -1.875 174.407 176.300 -0.030 0.000 1.140 1218 D CA -2.005 51.965 54.000 -0.050 0.000 0.855 1218 D CB 2.583 43.257 40.800 -0.210 0.000 1.267 1218 D HN 0.060 nan 8.370 nan 0.000 0.532 1219 P HA -0.156 nan 4.420 nan 0.000 0.216 1219 P C 0.685 177.973 177.300 -0.021 0.000 1.153 1219 P CA 1.176 64.268 63.100 -0.012 0.000 0.858 1219 P CB 0.259 31.956 31.700 -0.005 0.000 0.789 1220 E N -1.070 119.108 120.200 -0.036 0.000 2.153 1220 E HA -0.160 4.203 4.350 0.021 0.000 0.194 1220 E C 2.183 178.780 176.600 -0.004 0.000 0.988 1220 E CA 0.741 57.129 56.400 -0.020 0.000 0.811 1220 E CB -0.108 29.575 29.700 -0.028 0.000 0.746 1220 E HN 0.168 nan 8.360 nan 0.000 0.466 1221 R N -0.228 120.266 120.500 -0.009 0.000 2.052 1221 R HA 0.110 4.463 4.340 0.021 0.000 0.226 1221 R C 1.113 177.432 176.300 0.031 0.000 1.145 1221 R CA 1.171 57.281 56.100 0.018 0.000 0.952 1221 R CB -0.319 29.991 30.300 0.017 0.000 0.847 1221 R HN 0.220 nan 8.270 nan 0.000 0.431 1222 G N 0.713 109.514 108.800 0.002 0.000 2.459 1222 G HA2 -0.123 3.850 3.960 0.021 0.000 0.685 1222 G HA3 -0.123 3.850 3.960 0.021 0.000 0.685 1222 G C -0.752 174.072 174.900 -0.126 0.000 1.303 1222 G CA -0.495 44.580 45.100 -0.042 0.000 0.907 1222 G HN 0.248 nan 8.290 nan 0.000 0.632 1223 I N 0.832 121.214 120.570 -0.314 0.000 3.076 1223 I HA 0.186 4.369 4.170 0.021 0.000 0.321 1223 I C 1.299 177.096 176.117 -0.532 0.000 1.216 1223 I CA 0.780 61.719 61.300 -0.601 0.000 1.460 1223 I CB -0.492 36.946 38.000 -0.937 0.000 1.313 1223 I HN 1.288 nan 8.210 nan 0.000 0.546 1224 Y N 3.892 124.083 120.300 -0.181 0.000 4.047 1224 Y HA -0.323 4.241 4.550 0.023 0.000 0.213 1224 Y C 1.445 177.444 175.900 0.166 0.000 1.112 1224 Y CA 1.202 59.331 58.100 0.048 0.000 1.644 1224 Y CB -2.526 36.011 38.460 0.128 0.000 1.519 1224 Y HN 0.816 nan 8.280 nan 0.000 0.624 1225 N N -0.718 118.099 118.700 0.194 0.000 2.205 1225 N HA 0.060 4.813 4.740 0.021 0.000 0.201 1225 N C -0.120 175.445 175.510 0.092 0.000 1.128 1225 N CA 0.530 53.682 53.050 0.171 0.000 0.867 1225 N CB 0.463 39.047 38.487 0.162 0.000 0.996 1225 N HN 0.209 nan 8.380 nan 0.000 0.503 1226 S N 1.404 117.154 115.700 0.083 0.000 2.462 1226 S HA 0.482 4.965 4.470 0.021 0.000 0.294 1226 S C -2.560 172.044 174.600 0.007 0.000 1.144 1226 S CA -1.350 56.868 58.200 0.030 0.000 1.088 1226 S CB 1.235 64.434 63.200 -0.001 0.000 1.009 1226 S HN 0.037 nan 8.310 nan 0.000 0.484 1227 P HA 0.129 nan 4.420 nan 0.000 0.266 1227 P C -1.308 175.927 177.300 -0.109 0.000 1.186 1227 P CA 0.353 63.364 63.100 -0.149 0.000 0.767 1227 P CB 0.052 31.697 31.700 -0.092 0.000 0.820 1228 Y N 0.211 120.474 120.300 -0.061 0.000 2.597 1228 Y HA 0.790 5.352 4.550 0.020 0.000 0.340 1228 Y C -1.126 174.760 175.900 -0.024 0.000 1.097 1228 Y CA -1.635 56.426 58.100 -0.066 0.000 1.037 1228 Y CB 1.079 39.497 38.460 -0.070 0.000 1.305 1228 Y HN 0.107 nan 8.280 nan 0.000 0.463 1229 I N 3.563 124.284 120.570 0.252 0.000 2.517 1229 I HA 0.380 4.563 4.170 0.021 0.000 0.280 1229 I C -1.411 174.843 176.117 0.228 0.000 1.061 1229 I CA -0.496 60.913 61.300 0.180 0.000 1.091 1229 I CB 1.549 39.606 38.000 0.096 0.000 1.205 1229 I HN 0.542 nan 8.210 nan 0.000 0.459 1230 I N 7.801 128.501 120.570 0.217 0.000 2.388 1230 I HA 0.297 4.480 4.170 0.021 0.000 0.281 1230 I C -2.228 173.973 176.117 0.139 0.000 1.046 1230 I CA -1.880 59.524 61.300 0.173 0.000 1.187 1230 I CB 1.171 39.212 38.000 0.068 0.000 1.351 1230 I HN 0.239 nan 8.210 nan 0.000 0.472 1231 P HA 0.064 nan 4.420 nan 0.000 0.264 1231 P C 0.415 177.824 177.300 0.182 0.000 1.229 1231 P CA 0.313 63.478 63.100 0.108 0.000 0.780 1231 P CB 0.983 32.734 31.700 0.086 0.000 0.808 1232 G N 2.504 111.387 108.800 0.139 0.000 2.624 1232 G HA2 0.115 4.088 3.960 0.021 0.000 0.217 1232 G HA3 0.115 4.088 3.960 0.021 0.000 0.217 1232 G C 1.052 175.998 174.900 0.077 0.000 1.506 1232 G CA 0.196 45.412 45.100 0.194 0.000 1.072 1232 G HN 0.401 nan 8.290 nan 0.000 0.568 1233 T N -1.361 113.170 114.554 -0.039 0.000 2.739 1233 T HA -0.033 4.330 4.350 0.021 0.000 0.249 1233 T C 2.043 176.655 174.700 -0.146 0.000 1.050 1233 T CA 1.431 63.389 62.100 -0.237 0.000 1.165 1233 T CB -0.224 68.496 68.868 -0.248 0.000 0.872 1233 T HN 0.258 nan 8.240 nan 0.000 0.411 1234 Q N 0.466 120.216 119.800 -0.084 0.000 2.356 1234 Q HA 0.277 4.630 4.340 0.021 0.000 0.205 1234 Q C 0.652 176.625 176.000 -0.045 0.000 0.901 1234 Q CA 0.262 56.028 55.803 -0.063 0.000 0.938 1234 Q CB 0.822 29.533 28.738 -0.045 0.000 1.081 1234 Q HN 0.505 nan 8.270 nan 0.000 0.517 1235 T N -1.153 113.379 114.554 -0.036 0.000 2.769 1235 T HA 0.487 4.850 4.350 0.021 0.000 0.306 1235 T C -1.498 173.190 174.700 -0.021 0.000 1.400 1235 T CA -0.533 61.548 62.100 -0.031 0.000 1.007 1235 T CB 1.542 70.403 68.868 -0.012 0.000 1.392 1235 T HN -0.205 nan 8.240 nan 0.000 0.500 1236 V N 2.222 122.115 119.914 -0.034 0.000 2.630 1236 V HA 0.642 4.774 4.120 0.021 0.000 0.305 1236 V C 0.092 176.199 176.094 0.022 0.000 1.046 1236 V CA -0.635 61.656 62.300 -0.015 0.000 0.934 1236 V CB 2.060 33.835 31.823 -0.081 0.000 1.003 1236 V HN 1.056 nan 8.190 nan 0.000 0.451 1237 T N 5.207 119.796 114.554 0.059 0.000 2.756 1237 T HA 0.599 4.962 4.350 0.021 0.000 0.290 1237 T C -0.552 174.204 174.700 0.093 0.000 0.985 1237 T CA -0.413 61.738 62.100 0.084 0.000 0.955 1237 T CB 0.895 69.833 68.868 0.116 0.000 0.930 1237 T HN 0.164 nan 8.240 nan 0.000 0.451 1238 L N 2.721 123.973 121.223 0.048 0.000 2.379 1238 L HA 0.909 5.262 4.340 0.021 0.000 0.269 1238 L C 0.892 177.690 176.870 -0.120 0.000 1.084 1238 L CA 0.357 55.182 54.840 -0.025 0.000 0.802 1238 L CB 1.037 43.106 42.059 0.016 0.000 1.175 1238 L HN 0.986 nan 8.230 nan 0.000 0.448 1239 G N -0.336 108.219 108.800 -0.408 0.000 2.321 1239 G HA2 0.521 4.494 3.960 0.021 0.000 0.298 1239 G HA3 0.521 4.494 3.960 0.021 0.000 0.298 1239 G C -0.592 173.580 174.900 -1.213 0.000 1.385 1239 G CA 0.052 44.776 45.100 -0.626 0.000 0.856 1239 G HN 0.971 nan 8.290 nan 0.000 0.584 1240 G N -1.012 107.355 108.800 -0.721 0.000 2.761 1240 G HA2 0.439 4.412 3.960 0.021 0.000 0.230 1240 G HA3 0.439 4.412 3.960 0.021 0.000 0.230 1240 G C -1.073 173.828 174.900 0.002 0.000 1.659 1240 G CA 0.034 44.929 45.100 -0.342 0.000 0.998 1240 G HN 1.002 nan 8.290 nan 0.000 0.506 1241 I N 0.690 121.328 120.570 0.114 0.000 2.498 1241 I HA 0.802 4.985 4.170 0.021 0.000 0.290 1241 I C -1.170 175.123 176.117 0.293 0.000 1.032 1241 I CA -1.485 59.910 61.300 0.157 0.000 1.073 1241 I CB 1.905 39.951 38.000 0.077 0.000 1.251 1241 I HN 0.160 nan 8.210 nan 0.000 0.426 1242 F N 6.097 126.118 119.950 0.118 0.000 2.617 1242 F HA 0.576 5.111 4.527 0.013 0.000 0.325 1242 F C -1.206 174.648 175.800 0.090 0.000 1.179 1242 F CA -0.030 58.051 58.000 0.136 0.000 0.965 1242 F CB 1.295 40.403 39.000 0.180 0.000 1.232 1242 F HN 0.426 nan 8.300 nan 0.000 0.461 1243 Q N 7.357 126.919 119.800 -0.397 0.000 2.483 1243 Q HA 0.381 4.734 4.340 0.021 0.000 0.245 1243 Q C -1.166 174.608 176.000 -0.376 0.000 0.902 1243 Q CA -0.671 54.982 55.803 -0.250 0.000 0.767 1243 Q CB 2.617 31.309 28.738 -0.078 0.000 1.341 1243 Q HN 0.644 nan 8.270 nan 0.000 0.453 1244 L N 1.160 122.176 121.223 -0.345 0.000 2.483 1244 L HA 0.215 4.568 4.340 0.021 0.000 0.276 1244 L C 1.210 177.951 176.870 -0.215 0.000 1.213 1244 L CA 0.755 55.423 54.840 -0.287 0.000 0.843 1244 L CB 0.293 42.281 42.059 -0.119 0.000 1.107 1244 L HN 1.019 nan 8.230 nan 0.000 0.487 1245 G N 2.034 110.659 108.800 -0.291 0.000 2.366 1245 G HA2 -0.314 3.659 3.960 0.021 0.000 0.299 1245 G HA3 -0.314 3.659 3.960 0.021 0.000 0.299 1245 G C 0.047 174.838 174.900 -0.182 0.000 1.020 1245 G CA 0.438 45.393 45.100 -0.242 0.000 1.026 1245 G HN 0.727 nan 8.290 nan 0.000 0.512 1246 N N -0.497 118.021 118.700 -0.304 0.000 2.762 1246 N HA 0.226 4.979 4.740 0.021 0.000 0.252 1246 N C 0.248 175.652 175.510 -0.176 0.000 1.269 1246 N CA -1.166 51.814 53.050 -0.117 0.000 0.799 1246 N CB 0.150 38.614 38.487 -0.039 0.000 1.173 1246 N HN 0.299 nan 8.380 nan 0.000 0.516 1247 W N 1.832 123.000 121.300 -0.220 0.000 3.278 1247 W HA 0.175 4.845 4.660 0.016 0.000 0.375 1247 W C 0.969 177.435 176.519 -0.087 0.000 1.110 1247 W CA -0.277 56.794 57.345 -0.457 0.000 1.814 1247 W CB 0.077 29.354 29.460 -0.304 0.000 0.899 1247 W HN 0.295 nan 8.180 nan 0.000 0.774 1248 S N 1.314 117.216 115.700 0.336 0.000 2.464 1248 S HA 0.106 4.589 4.470 0.021 0.000 0.313 1248 S C -0.043 174.882 174.600 0.542 0.000 1.078 1248 S CA -0.550 57.875 58.200 0.375 0.000 1.096 1248 S CB 0.059 63.395 63.200 0.228 0.000 1.032 1248 S HN 0.263 nan 8.310 nan 0.000 0.498 1249 E N 4.590 125.156 120.200 0.609 0.000 1.861 1249 E HA 0.412 4.775 4.350 0.021 0.000 0.263 1249 E C -0.994 175.711 176.600 0.175 0.000 1.137 1249 E CA -0.339 56.282 56.400 0.368 0.000 0.944 1249 E CB 0.204 30.165 29.700 0.437 0.000 1.092 1249 E HN 0.549 nan 8.360 nan 0.000 0.420 1250 L N 3.477 124.762 121.223 0.103 0.000 2.700 1250 L HA 0.305 4.658 4.340 0.021 0.000 0.255 1250 L C -1.828 175.069 176.870 0.045 0.000 0.933 1250 L CA -0.735 54.147 54.840 0.070 0.000 0.920 1250 L CB 1.597 43.708 42.059 0.086 0.000 1.472 1250 L HN 0.205 nan 8.230 nan 0.000 0.426 1251 N N 2.620 121.337 118.700 0.028 0.000 2.513 1251 N HA 0.200 4.952 4.740 0.021 0.000 0.268 1251 N C -0.758 174.771 175.510 0.033 0.000 1.180 1251 N CA 0.062 53.128 53.050 0.026 0.000 0.948 1251 N CB 0.680 39.178 38.487 0.019 0.000 1.083 1251 N HN 0.652 nan 8.380 nan 0.000 0.455 1252 N N 1.502 120.228 118.700 0.044 0.000 2.417 1252 N HA 0.195 4.948 4.740 0.021 0.000 0.274 1252 N C 0.793 176.337 175.510 0.057 0.000 0.987 1252 N CA -0.511 52.567 53.050 0.048 0.000 0.912 1252 N CB 0.847 39.367 38.487 0.055 0.000 1.177 1252 N HN 0.430 nan 8.380 nan 0.000 0.490 1253 I N 2.827 123.415 120.570 0.030 0.000 2.335 1253 I HA -0.189 3.994 4.170 0.021 0.000 0.251 1253 I C 1.957 178.118 176.117 0.072 0.000 1.129 1253 I CA 1.490 62.799 61.300 0.015 0.000 1.402 1253 I CB 0.027 38.013 38.000 -0.024 0.000 1.069 1253 I HN 0.718 nan 8.210 nan 0.000 0.424 1254 Q N 0.285 120.126 119.800 0.068 0.000 2.187 1254 Q HA -0.154 4.198 4.340 0.021 0.000 0.199 1254 Q C 1.767 177.823 176.000 0.092 0.000 0.957 1254 Q CA 1.633 57.482 55.803 0.076 0.000 0.857 1254 Q CB -0.309 28.464 28.738 0.057 0.000 0.929 1254 Q HN 0.480 nan 8.270 nan 0.000 0.453 1255 D N -0.705 119.750 120.400 0.091 0.000 2.084 1255 D HA -0.185 4.468 4.640 0.021 0.000 0.194 1255 D C 1.635 177.998 176.300 0.106 0.000 0.990 1255 D CA 1.536 55.587 54.000 0.084 0.000 0.826 1255 D CB -0.421 40.420 40.800 0.069 0.000 0.971 1255 D HN 0.485 nan 8.370 nan 0.000 0.453 1256 H N 1.359 120.446 119.070 0.029 0.000 2.297 1256 H HA -0.180 4.388 4.556 0.021 0.000 0.289 1256 H C 1.682 177.064 175.328 0.089 0.000 1.105 1256 H CA 2.440 58.507 56.048 0.030 0.000 1.219 1256 H CB 0.050 29.801 29.762 -0.019 0.000 1.351 1256 H HN 0.036 nan 8.280 nan 0.000 0.481 1257 N N -0.771 118.057 118.700 0.214 0.000 2.244 1257 N HA -0.100 4.653 4.740 0.021 0.000 0.183 1257 N C 1.743 177.342 175.510 0.147 0.000 1.016 1257 N CA 1.760 54.932 53.050 0.203 0.000 0.866 1257 N CB -0.461 38.132 38.487 0.176 0.000 0.980 1257 N HN 0.542 nan 8.380 nan 0.000 0.430 1258 T N 0.791 115.403 114.554 0.096 0.000 3.023 1258 T HA 0.136 4.499 4.350 0.021 0.000 0.266 1258 T C 1.915 176.633 174.700 0.030 0.000 1.093 1258 T CA 0.266 62.403 62.100 0.061 0.000 1.129 1258 T CB 0.233 69.131 68.868 0.050 0.000 0.899 1258 T HN 0.088 nan 8.240 nan 0.000 0.491 1259 I N -0.234 120.348 120.570 0.019 0.000 2.333 1259 I HA -0.021 4.162 4.170 0.021 0.000 0.246 1259 I C 2.247 178.383 176.117 0.033 0.000 1.106 1259 I CA 0.861 62.147 61.300 -0.024 0.000 1.411 1259 I CB -0.919 37.048 38.000 -0.055 0.000 1.082 1259 I HN 0.432 nan 8.210 nan 0.000 0.420 1260 W N 2.454 123.642 121.300 -0.187 0.000 2.338 1260 W HA -0.256 4.417 4.660 0.020 0.000 0.325 1260 W C 2.436 178.919 176.519 -0.060 0.000 1.206 1260 W CA 1.455 58.709 57.345 -0.151 0.000 1.257 1260 W CB -0.182 29.166 29.460 -0.186 0.000 1.184 1260 W HN 0.087 nan 8.180 nan 0.000 0.456 1261 E N -0.145 120.097 120.200 0.070 0.000 2.147 1261 E HA -0.208 4.155 4.350 0.021 0.000 0.199 1261 E C 2.224 178.785 176.600 -0.064 0.000 1.005 1261 E CA 2.135 58.520 56.400 -0.026 0.000 0.810 1261 E CB -0.970 28.769 29.700 0.064 0.000 0.736 1261 E HN 0.410 nan 8.360 nan 0.000 0.460 1262 G N -0.237 108.541 108.800 -0.037 0.000 2.414 1262 G HA2 -0.277 3.696 3.960 0.021 0.000 0.215 1262 G HA3 -0.277 3.696 3.960 0.021 0.000 0.215 1262 G C 1.684 176.545 174.900 -0.065 0.000 1.188 1262 G CA 1.021 46.100 45.100 -0.034 0.000 0.783 1262 G HN 0.373 nan 8.290 nan 0.000 0.537 1263 C N -0.016 119.213 119.300 -0.118 0.000 2.467 1263 C HA 0.054 4.526 4.460 0.021 0.000 0.279 1263 C C 3.096 177.989 174.990 -0.162 0.000 1.347 1263 C CA 0.178 59.120 59.018 -0.127 0.000 1.748 1263 C CB -1.204 26.453 27.740 -0.139 0.000 1.977 1263 C HN 0.589 nan 8.230 nan 0.000 0.501 1264 C N 0.642 119.765 119.300 -0.295 0.000 2.386 1264 C HA -0.152 4.321 4.460 0.021 0.000 0.279 1264 C C 2.835 177.744 174.990 -0.135 0.000 1.208 1264 C CA 1.181 60.009 59.018 -0.316 0.000 1.747 1264 C CB -1.269 26.181 27.740 -0.484 0.000 2.046 1264 C HN 0.542 nan 8.230 nan 0.000 0.453 1265 R N 0.330 120.777 120.500 -0.090 0.000 2.185 1265 R HA -0.126 4.227 4.340 0.021 0.000 0.247 1265 R C 2.015 178.345 176.300 0.050 0.000 1.159 1265 R CA 1.149 57.243 56.100 -0.010 0.000 0.988 1265 R CB -0.648 29.660 30.300 0.014 0.000 0.871 1265 R HN 0.588 nan 8.270 nan 0.000 0.458 1266 L N -0.918 120.335 121.223 0.050 0.000 2.095 1266 L HA -0.036 4.317 4.340 0.021 0.000 0.204 1266 L C 0.118 177.095 176.870 0.178 0.000 1.080 1266 L CA 1.079 55.994 54.840 0.126 0.000 0.759 1266 L CB 0.181 42.270 42.059 0.050 0.000 0.914 1266 L HN 0.144 nan 8.230 nan 0.000 0.439 1267 E N -1.158 119.096 120.200 0.090 0.000 2.923 1267 E HA 0.191 4.554 4.350 0.021 0.000 0.266 1267 E C -2.128 174.496 176.600 0.041 0.000 1.157 1267 E CA -1.483 54.979 56.400 0.104 0.000 0.795 1267 E CB 1.144 30.935 29.700 0.152 0.000 1.454 1267 E HN -0.054 nan 8.360 nan 0.000 0.386 1268 P HA -0.128 nan 4.420 nan 0.000 0.229 1268 P C 1.036 178.345 177.300 0.015 0.000 1.150 1268 P CA 1.119 64.206 63.100 -0.021 0.000 0.765 1268 P CB 0.004 31.691 31.700 -0.022 0.000 0.783 1269 T N -3.854 110.748 114.554 0.080 0.000 3.077 1269 T HA -0.104 4.259 4.350 0.021 0.000 0.269 1269 T C 1.442 176.314 174.700 0.287 0.000 1.146 1269 T CA 0.675 62.870 62.100 0.159 0.000 1.091 1269 T CB -0.753 68.291 68.868 0.294 0.000 0.892 1269 T HN -0.031 nan 8.240 nan 0.000 0.533 1270 L N 0.006 121.311 121.223 0.136 0.000 2.416 1270 L HA 0.443 4.796 4.340 0.021 0.000 0.216 1270 L C 2.461 179.320 176.870 -0.017 0.000 1.098 1270 L CA 0.964 55.844 54.840 0.066 0.000 0.840 1270 L CB -0.402 41.586 42.059 -0.119 0.000 0.981 1270 L HN 0.156 nan 8.230 nan 0.000 0.462 1271 K N -0.068 120.302 120.400 -0.051 0.000 2.063 1271 K HA -0.089 4.244 4.320 0.021 0.000 0.208 1271 K C 0.479 177.197 176.600 0.197 0.000 1.048 1271 K CA 1.242 57.510 56.287 -0.033 0.000 0.928 1271 K CB 0.049 32.536 32.500 -0.022 0.000 0.713 1271 K HN 0.369 nan 8.250 nan 0.000 0.442 1272 N N 0.913 119.719 118.700 0.176 0.000 2.994 1272 N HA 0.106 4.859 4.740 0.021 0.000 0.306 1272 N C -0.710 174.964 175.510 0.274 0.000 1.348 1272 N CA -0.174 52.998 53.050 0.203 0.000 1.109 1272 N CB 1.122 39.680 38.487 0.118 0.000 1.415 1272 N HN 0.155 nan 8.380 nan 0.000 0.529 1273 A N 0.909 123.938 122.820 0.348 0.000 2.378 1273 A HA 0.684 5.017 4.320 0.021 0.000 0.293 1273 A C 0.181 177.940 177.584 0.292 0.000 1.250 1273 A CA -0.356 51.892 52.037 0.352 0.000 0.915 1273 A CB 0.879 20.075 19.000 0.326 0.000 1.402 1273 A HN 0.305 nan 8.150 nan 0.000 0.502 1274 R N -0.645 119.983 120.500 0.213 0.000 2.561 1274 R HA 0.571 4.924 4.340 0.021 0.000 0.297 1274 R C -1.574 174.782 176.300 0.094 0.000 0.969 1274 R CA -0.438 55.742 56.100 0.133 0.000 0.879 1274 R CB 0.784 31.144 30.300 0.100 0.000 1.178 1274 R HN 0.577 nan 8.270 nan 0.000 0.445 1275 I N 6.369 126.960 120.570 0.035 0.000 2.308 1275 I HA 0.086 4.269 4.170 0.021 0.000 0.293 1275 I C 0.617 176.740 176.117 0.010 0.000 1.078 1275 I CA -0.174 61.129 61.300 0.005 0.000 1.292 1275 I CB 0.823 38.783 38.000 -0.067 0.000 1.423 1275 I HN 0.656 nan 8.210 nan 0.000 0.493 1276 I N 4.774 125.357 120.570 0.021 0.000 2.400 1276 I HA 0.167 4.350 4.170 0.021 0.000 0.248 1276 I C 1.241 177.365 176.117 0.011 0.000 1.109 1276 I CA 0.646 61.955 61.300 0.015 0.000 1.425 1276 I CB -0.270 37.739 38.000 0.015 0.000 1.094 1276 I HN 0.636 nan 8.210 nan 0.000 0.425 1277 G N -0.675 108.135 108.800 0.017 0.000 2.576 1277 G HA2 0.544 4.516 3.960 0.021 0.000 0.290 1277 G HA3 0.544 4.516 3.960 0.021 0.000 0.290 1277 G C -1.553 173.364 174.900 0.028 0.000 1.442 1277 G CA -0.479 44.632 45.100 0.017 0.000 0.792 1277 G HN -0.059 nan 8.290 nan 0.000 0.491 1278 E N -0.217 120.000 120.200 0.028 0.000 2.263 1278 E HA 0.650 5.013 4.350 0.021 0.000 0.268 1278 E C -0.737 175.876 176.600 0.021 0.000 0.884 1278 E CA -0.830 55.594 56.400 0.039 0.000 0.766 1278 E CB 1.475 31.219 29.700 0.073 0.000 1.196 1278 E HN 0.336 nan 8.360 nan 0.000 0.416 1279 R N 1.569 122.077 120.500 0.013 0.000 2.808 1279 R HA 0.613 4.966 4.340 0.021 0.000 0.272 1279 R C -1.099 175.181 176.300 -0.033 0.000 0.995 1279 R CA -0.790 55.306 56.100 -0.007 0.000 0.917 1279 R CB 2.046 32.343 30.300 -0.005 0.000 1.217 1279 R HN 0.549 nan 8.270 nan 0.000 0.471 1280 T N -0.251 114.257 114.554 -0.077 0.000 2.893 1280 T HA 0.791 5.154 4.350 0.021 0.000 0.291 1280 T C -0.381 174.140 174.700 -0.297 0.000 1.028 1280 T CA -0.730 61.271 62.100 -0.164 0.000 0.995 1280 T CB 2.363 71.138 68.868 -0.156 0.000 1.051 1280 T HN 0.696 nan 8.240 nan 0.000 0.470 1281 G N 0.793 109.334 108.800 -0.431 0.000 2.695 1281 G HA2 0.697 4.670 3.960 0.021 0.000 0.290 1281 G HA3 0.697 4.670 3.960 0.021 0.000 0.290 1281 G C -2.107 172.382 174.900 -0.686 0.000 1.410 1281 G CA -0.682 44.109 45.100 -0.514 0.000 0.844 1281 G HN 0.478 nan 8.290 nan 0.000 0.478 1282 F N 0.624 120.505 119.950 -0.116 0.000 2.496 1282 F HA 0.493 5.034 4.527 0.023 0.000 0.341 1282 F C 0.713 176.354 175.800 -0.265 0.000 1.134 1282 F CA -1.007 56.831 58.000 -0.270 0.000 0.968 1282 F CB 1.945 40.664 39.000 -0.468 0.000 1.205 1282 F HN 0.107 nan 8.300 nan 0.000 0.436 1283 R N 4.211 124.698 120.500 -0.020 0.000 2.343 1283 R HA 0.155 4.508 4.340 0.021 0.000 0.326 1283 R C -2.263 174.005 176.300 -0.053 0.000 1.055 1283 R CA -1.458 54.643 56.100 0.002 0.000 0.961 1283 R CB 0.083 30.465 30.300 0.138 0.000 0.978 1283 R HN 0.244 nan 8.270 nan 0.000 0.443 1284 P HA -0.037 nan 4.420 nan 0.000 0.245 1284 P C -0.032 177.264 177.300 -0.008 0.000 1.670 1284 P CA 0.183 63.246 63.100 -0.061 0.000 1.146 1284 P CB 0.035 31.744 31.700 0.015 0.000 1.954 1285 V N 4.299 124.211 119.914 -0.003 0.000 2.585 1285 V HA 0.114 4.247 4.120 0.021 0.000 0.296 1285 V C 1.011 177.129 176.094 0.041 0.000 1.035 1285 V CA 0.571 62.914 62.300 0.071 0.000 1.084 1285 V CB -0.162 31.742 31.823 0.134 0.000 0.953 1285 V HN 0.454 nan 8.190 nan 0.000 0.483 1286 R N 5.554 126.072 120.500 0.030 0.000 2.563 1286 R HA 0.289 4.642 4.340 0.021 0.000 0.262 1286 R C -1.991 174.302 176.300 -0.012 0.000 1.128 1286 R CA -1.143 54.962 56.100 0.008 0.000 0.969 1286 R CB 2.368 32.656 30.300 -0.021 0.000 1.251 1286 R HN 0.435 nan 8.270 nan 0.000 0.442 1287 P HA -0.245 nan 4.420 nan 0.000 0.222 1287 P C -0.559 176.716 177.300 -0.042 0.000 1.157 1287 P CA 1.544 64.634 63.100 -0.017 0.000 0.905 1287 P CB 0.203 31.896 31.700 -0.011 0.000 0.792 1288 Q N -1.967 117.802 119.800 -0.051 0.000 2.295 1288 Q HA 0.488 4.841 4.340 0.021 0.000 0.268 1288 Q C -0.675 175.276 176.000 -0.081 0.000 1.010 1288 Q CA -0.866 54.906 55.803 -0.052 0.000 0.856 1288 Q CB 0.707 29.415 28.738 -0.049 0.000 1.349 1288 Q HN -0.116 nan 8.270 nan 0.000 0.412 1289 I N 2.206 122.735 120.570 -0.069 0.000 3.184 1289 I HA -0.204 3.978 4.170 0.021 0.000 0.333 1289 I C 0.569 176.587 176.117 -0.165 0.000 1.214 1289 I CA 0.780 61.971 61.300 -0.182 0.000 1.465 1289 I CB 0.168 38.118 38.000 -0.082 0.000 1.308 1289 I HN 0.653 nan 8.210 nan 0.000 0.525 1290 R N 6.747 127.038 120.500 -0.349 0.000 2.325 1290 R HA 0.303 4.656 4.340 0.021 0.000 0.323 1290 R C -1.126 175.082 176.300 -0.153 0.000 1.177 1290 R CA -0.508 55.383 56.100 -0.347 0.000 1.018 1290 R CB 0.163 29.972 30.300 -0.819 0.000 1.070 1290 R HN 0.452 nan 8.270 nan 0.000 0.495 1291 L N 5.718 126.939 121.223 -0.003 0.000 2.433 1291 L HA 0.371 4.723 4.340 0.021 0.000 0.256 1291 L C -1.173 175.749 176.870 0.086 0.000 1.063 1291 L CA -0.051 54.818 54.840 0.048 0.000 0.922 1291 L CB 0.713 42.784 42.059 0.020 0.000 1.238 1291 L HN 0.788 nan 8.230 nan 0.000 0.466 1292 E N 2.696 122.947 120.200 0.084 0.000 2.437 1292 E HA 0.520 4.883 4.350 0.021 0.000 0.280 1292 E C -1.168 175.461 176.600 0.048 0.000 1.044 1292 E CA -1.161 55.283 56.400 0.074 0.000 0.826 1292 E CB 1.629 31.375 29.700 0.077 0.000 1.358 1292 E HN 0.258 nan 8.360 nan 0.000 0.459 1293 R N 0.091 120.601 120.500 0.017 0.000 2.532 1293 R HA 0.496 4.849 4.340 0.021 0.000 0.272 1293 R C -0.511 175.771 176.300 -0.029 0.000 1.032 1293 R CA -0.458 55.620 56.100 -0.036 0.000 1.089 1293 R CB 1.244 31.520 30.300 -0.041 0.000 1.098 1293 R HN 0.632 nan 8.270 nan 0.000 0.526 1294 E N 0.269 120.413 120.200 -0.094 0.000 2.366 1294 E HA 0.118 4.481 4.350 0.021 0.000 0.278 1294 E C -1.462 175.091 176.600 -0.079 0.000 0.923 1294 E CA -0.637 55.727 56.400 -0.060 0.000 0.761 1294 E CB 1.607 31.285 29.700 -0.035 0.000 1.231 1294 E HN 0.186 nan 8.360 nan 0.000 0.443 1295 Q N 3.395 123.176 119.800 -0.033 0.000 2.506 1295 Q HA 0.297 4.650 4.340 0.021 0.000 0.242 1295 Q C -0.863 175.134 176.000 -0.005 0.000 1.060 1295 Q CA -0.540 55.246 55.803 -0.029 0.000 0.826 1295 Q CB 0.898 29.626 28.738 -0.018 0.000 1.169 1295 Q HN 0.547 nan 8.270 nan 0.000 0.521 1296 L N 2.602 123.818 121.223 -0.012 0.000 2.371 1296 L HA 0.365 4.718 4.340 0.021 0.000 0.272 1296 L C 0.413 177.299 176.870 0.027 0.000 1.124 1296 L CA 0.229 55.087 54.840 0.029 0.000 0.816 1296 L CB 0.615 42.704 42.059 0.051 0.000 1.129 1296 L HN 0.389 nan 8.230 nan 0.000 0.448 1297 R N 1.688 122.212 120.500 0.041 0.000 2.494 1297 R HA 0.581 4.933 4.340 0.021 0.000 0.305 1297 R C -0.057 176.262 176.300 0.032 0.000 0.959 1297 R CA -0.537 55.580 56.100 0.029 0.000 0.864 1297 R CB 2.016 32.331 30.300 0.025 0.000 1.159 1297 R HN 0.764 nan 8.270 nan 0.000 0.446 1298 T N -1.971 112.597 114.554 0.023 0.000 2.573 1298 T HA 0.435 4.798 4.350 0.021 0.000 0.259 1298 T C 1.153 175.862 174.700 0.014 0.000 0.886 1298 T CA -0.196 61.917 62.100 0.022 0.000 1.110 1298 T CB 0.788 69.671 68.868 0.024 0.000 1.421 1298 T HN 0.400 nan 8.240 nan 0.000 0.523 1299 G N 1.421 110.228 108.800 0.011 0.000 2.705 1299 G HA2 0.183 4.156 3.960 0.021 0.000 0.214 1299 G HA3 0.183 4.156 3.960 0.021 0.000 0.214 1299 G C -0.281 174.621 174.900 0.004 0.000 1.321 1299 G CA 1.060 46.164 45.100 0.007 0.000 0.826 1299 G HN 0.760 nan 8.290 nan 0.000 0.595 1300 P HA 0.156 nan 4.420 nan 0.000 0.204 1300 P C 0.693 177.992 177.300 -0.002 0.000 1.215 1300 P CA 0.504 63.603 63.100 -0.000 0.000 0.908 1300 P CB -0.257 31.442 31.700 -0.002 0.000 0.738 1301 S N -0.431 115.267 115.700 -0.003 0.000 2.541 1301 S HA 0.254 4.736 4.470 0.021 0.000 0.283 1301 S C 0.046 174.643 174.600 -0.005 0.000 1.196 1301 S CA -0.701 57.495 58.200 -0.007 0.000 1.062 1301 S CB -0.309 62.885 63.200 -0.011 0.000 1.009 1301 S HN 0.093 nan 8.310 nan 0.000 0.502 1302 N N 1.718 120.412 118.700 -0.010 0.000 2.525 1302 N HA 0.281 5.034 4.740 0.021 0.000 0.271 1302 N C -0.500 174.998 175.510 -0.019 0.000 1.194 1302 N CA -0.013 53.030 53.050 -0.011 0.000 0.964 1302 N CB 0.822 39.300 38.487 -0.014 0.000 1.126 1302 N HN 0.683 nan 8.380 nan 0.000 0.452 1303 T N -1.531 113.012 114.554 -0.018 0.000 2.841 1303 T HA 0.284 4.647 4.350 0.021 0.000 0.283 1303 T C -0.392 174.275 174.700 -0.056 0.000 1.000 1303 T CA -1.066 61.016 62.100 -0.030 0.000 0.977 1303 T CB 1.985 70.847 68.868 -0.011 0.000 0.979 1303 T HN 0.242 nan 8.240 nan 0.000 0.446 1304 E N 1.487 121.641 120.200 -0.075 0.000 2.374 1304 E HA 0.492 4.855 4.350 0.021 0.000 0.260 1304 E C -0.498 176.010 176.600 -0.154 0.000 1.101 1304 E CA -0.570 55.767 56.400 -0.106 0.000 0.907 1304 E CB 1.716 31.351 29.700 -0.108 0.000 1.014 1304 E HN 0.510 nan 8.360 nan 0.000 0.427 1305 V N 2.628 122.408 119.914 -0.223 0.000 2.709 1305 V HA 0.382 4.515 4.120 0.021 0.000 0.308 1305 V C -0.189 175.700 176.094 -0.342 0.000 1.062 1305 V CA -0.679 61.391 62.300 -0.383 0.000 0.901 1305 V CB 1.659 33.080 31.823 -0.669 0.000 1.003 1305 V HN 0.465 nan 8.190 nan 0.000 0.425 1306 I N 3.660 124.058 120.570 -0.287 0.000 2.390 1306 I HA 0.431 4.614 4.170 0.021 0.000 0.283 1306 I C -0.323 175.704 176.117 -0.150 0.000 1.016 1306 I CA -0.396 60.806 61.300 -0.163 0.000 1.151 1306 I CB 0.868 38.845 38.000 -0.039 0.000 1.293 1306 I HN 0.635 nan 8.210 nan 0.000 0.458 1307 H N 5.043 124.134 119.070 0.034 0.000 2.580 1307 H HA 0.295 4.866 4.556 0.024 0.000 0.322 1307 H C 0.001 175.402 175.328 0.122 0.000 1.082 1307 H CA -0.215 55.916 56.048 0.138 0.000 1.383 1307 H CB 0.864 30.746 29.762 0.199 0.000 1.450 1307 H HN 0.406 nan 8.280 nan 0.000 0.505 1308 N N 3.792 122.722 118.700 0.384 0.000 2.707 1308 N HA 0.076 4.829 4.740 0.021 0.000 0.249 1308 N C -1.833 173.949 175.510 0.455 0.000 1.299 1308 N CA -0.453 52.767 53.050 0.283 0.000 0.769 1308 N CB 0.309 38.906 38.487 0.182 0.000 1.236 1308 N HN 0.599 nan 8.380 nan 0.000 0.524 1309 Y N -1.632 118.797 120.300 0.214 0.000 2.689 1309 Y HA 0.712 5.273 4.550 0.019 0.000 0.333 1309 Y C 0.565 176.487 175.900 0.037 0.000 1.190 1309 Y CA -1.066 57.159 58.100 0.208 0.000 1.063 1309 Y CB 0.629 39.182 38.460 0.156 0.000 1.294 1309 Y HN 0.191 nan 8.280 nan 0.000 0.466 1310 G N 1.576 110.506 108.800 0.216 0.000 2.531 1310 G HA2 -0.212 3.761 3.960 0.021 0.000 0.283 1310 G HA3 -0.212 3.761 3.960 0.021 0.000 0.283 1310 G C -0.852 173.896 174.900 -0.253 0.000 1.068 1310 G CA 0.446 45.535 45.100 -0.019 0.000 1.273 1310 G HN 1.066 nan 8.290 nan 0.000 0.532 1311 H N -0.190 118.770 119.070 -0.183 0.000 2.827 1311 H HA 0.433 5.003 4.556 0.023 0.000 0.269 1311 H C 2.194 177.069 175.328 -0.755 0.000 1.031 1311 H CA 0.938 56.688 56.048 -0.496 0.000 1.202 1311 H CB 0.536 30.116 29.762 -0.303 0.000 1.511 1311 H HN 1.356 nan 8.280 nan 0.000 0.517 1312 G N 0.814 109.496 108.800 -0.197 0.000 2.629 1312 G HA2 -0.406 3.567 3.960 0.021 0.000 0.335 1312 G HA3 -0.406 3.567 3.960 0.021 0.000 0.335 1312 G C 1.680 176.593 174.900 0.022 0.000 1.347 1312 G CA 0.463 45.550 45.100 -0.021 0.000 0.979 1312 G HN 0.581 nan 8.290 nan 0.000 0.534 1313 G N -0.578 108.447 108.800 0.374 0.000 2.653 1313 G HA2 0.232 4.205 3.960 0.021 0.000 0.212 1313 G HA3 0.232 4.205 3.960 0.021 0.000 0.212 1313 G C 0.839 175.884 174.900 0.242 0.000 1.138 1313 G CA 1.718 47.001 45.100 0.305 0.000 0.782 1313 G HN 1.442 nan 8.290 nan 0.000 0.535 1314 Y N -2.659 117.755 120.300 0.191 0.000 2.698 1314 Y HA 0.547 5.108 4.550 0.018 0.000 0.261 1314 Y C 1.532 177.491 175.900 0.097 0.000 1.104 1314 Y CA -1.403 56.745 58.100 0.081 0.000 1.145 1314 Y CB -0.356 38.155 38.460 0.085 0.000 1.191 1314 Y HN -0.073 nan 8.280 nan 0.000 0.564 1315 G N 2.078 110.868 108.800 -0.016 0.000 2.639 1315 G HA2 -0.242 3.731 3.960 0.021 0.000 0.216 1315 G HA3 -0.242 3.731 3.960 0.021 0.000 0.216 1315 G C 1.416 176.375 174.900 0.099 0.000 1.267 1315 G CA 1.618 46.717 45.100 -0.002 0.000 0.801 1315 G HN 0.329 nan 8.290 nan 0.000 0.592 1316 L N 1.016 122.294 121.223 0.092 0.000 2.051 1316 L HA -0.143 4.210 4.340 0.021 0.000 0.214 1316 L C 3.151 180.195 176.870 0.290 0.000 1.076 1316 L CA 2.397 57.336 54.840 0.165 0.000 0.758 1316 L CB -1.909 40.185 42.059 0.058 0.000 0.890 1316 L HN 0.271 nan 8.230 nan 0.000 0.433 1317 T N -0.430 114.202 114.554 0.130 0.000 2.720 1317 T HA -0.194 4.169 4.350 0.021 0.000 0.268 1317 T C 1.882 176.688 174.700 0.176 0.000 1.037 1317 T CA 1.425 63.509 62.100 -0.026 0.000 1.144 1317 T CB -0.069 68.556 68.868 -0.405 0.000 0.864 1317 T HN 0.260 nan 8.240 nan 0.000 0.444 1318 I N 0.596 121.333 120.570 0.278 0.000 4.018 1318 I HA 0.088 4.271 4.170 0.021 0.000 0.337 1318 I C 2.072 178.359 176.117 0.284 0.000 1.327 1318 I CA 0.031 61.542 61.300 0.353 0.000 1.100 1318 I CB 0.023 38.323 38.000 0.501 0.000 1.025 1318 I HN 0.357 nan 8.210 nan 0.000 0.396 1319 H N 0.001 119.221 119.070 0.250 0.000 2.255 1319 H HA -0.331 4.237 4.556 0.021 0.000 0.290 1319 H C 2.060 177.535 175.328 0.245 0.000 1.087 1319 H CA 2.553 58.718 56.048 0.196 0.000 1.213 1319 H CB -1.107 28.804 29.762 0.249 0.000 1.349 1319 H HN 0.466 nan 8.280 nan 0.000 0.487 1320 W N 2.310 123.090 121.300 -0.867 0.000 2.289 1320 W HA -0.238 4.435 4.660 0.021 0.000 0.328 1320 W C 2.857 179.238 176.519 -0.230 0.000 1.241 1320 W CA 1.907 58.953 57.345 -0.499 0.000 1.221 1320 W CB -0.929 28.213 29.460 -0.530 0.000 1.175 1320 W HN 0.519 nan 8.180 nan 0.000 0.457 1321 G N 0.271 109.063 108.800 -0.013 0.000 2.661 1321 G HA2 -0.404 3.569 3.960 0.021 0.000 0.224 1321 G HA3 -0.404 3.569 3.960 0.021 0.000 0.224 1321 G C 1.388 175.961 174.900 -0.546 0.000 1.114 1321 G CA 1.635 46.675 45.100 -0.101 0.000 0.751 1321 G HN 0.428 nan 8.290 nan 0.000 0.609 1322 C N 0.402 119.383 119.300 -0.532 0.000 2.518 1322 C HA 0.346 4.819 4.460 0.021 0.000 0.279 1322 C C 3.529 178.257 174.990 -0.438 0.000 1.279 1322 C CA 0.815 59.424 59.018 -0.683 0.000 1.703 1322 C CB -1.016 26.540 27.740 -0.306 0.000 2.072 1322 C HN 0.614 nan 8.230 nan 0.000 0.487 1323 A N -0.128 122.509 122.820 -0.305 0.000 2.024 1323 A HA -0.167 4.166 4.320 0.021 0.000 0.220 1323 A C 1.982 179.293 177.584 -0.454 0.000 1.164 1323 A CA 1.649 53.507 52.037 -0.299 0.000 0.643 1323 A CB -0.482 18.397 19.000 -0.202 0.000 0.806 1323 A HN 0.568 nan 8.150 nan 0.000 0.451 1324 L N -1.278 119.590 121.223 -0.592 0.000 2.416 1324 L HA 0.121 4.474 4.340 0.021 0.000 0.216 1324 L C 2.069 178.762 176.870 -0.294 0.000 1.098 1324 L CA 1.693 56.206 54.840 -0.546 0.000 0.840 1324 L CB -0.051 41.588 42.059 -0.700 0.000 0.981 1324 L HN 0.422 nan 8.230 nan 0.000 0.462 1325 E N 0.166 120.180 120.200 -0.309 0.000 2.021 1325 E HA -0.101 4.262 4.350 0.021 0.000 0.189 1325 E C 2.192 178.724 176.600 -0.114 0.000 0.980 1325 E CA 1.484 57.773 56.400 -0.185 0.000 0.803 1325 E CB -0.370 29.136 29.700 -0.323 0.000 0.766 1325 E HN 0.370 nan 8.360 nan 0.000 0.449 1326 A N 1.041 123.763 122.820 -0.163 0.000 1.958 1326 A HA -0.212 4.121 4.320 0.021 0.000 0.221 1326 A C 2.431 180.021 177.584 0.009 0.000 1.178 1326 A CA 2.550 54.545 52.037 -0.071 0.000 0.642 1326 A CB -1.157 17.790 19.000 -0.088 0.000 0.816 1326 A HN 0.422 nan 8.150 nan 0.000 0.453 1327 A N -0.601 122.211 122.820 -0.013 0.000 1.898 1327 A HA -0.114 4.219 4.320 0.021 0.000 0.216 1327 A C 2.062 179.811 177.584 0.276 0.000 1.181 1327 A CA 1.944 54.060 52.037 0.133 0.000 0.620 1327 A CB -0.470 18.555 19.000 0.042 0.000 0.819 1327 A HN 0.569 nan 8.150 nan 0.000 0.442 1328 K N -0.765 119.718 120.400 0.137 0.000 2.032 1328 K HA -0.225 4.107 4.320 0.021 0.000 0.218 1328 K C 1.737 178.413 176.600 0.126 0.000 1.054 1328 K CA 2.022 58.392 56.287 0.139 0.000 0.941 1328 K CB -0.386 32.159 32.500 0.075 0.000 0.720 1328 K HN 0.294 nan 8.250 nan 0.000 0.449 1329 L N 0.162 121.436 121.223 0.085 0.000 2.131 1329 L HA -0.108 4.244 4.340 0.021 0.000 0.210 1329 L C 2.152 179.033 176.870 0.018 0.000 1.092 1329 L CA 1.418 56.284 54.840 0.044 0.000 0.759 1329 L CB -0.620 41.460 42.059 0.035 0.000 0.903 1329 L HN 0.259 nan 8.230 nan 0.000 0.435 1330 F N 0.114 120.010 119.950 -0.089 0.000 2.171 1330 F HA -0.133 4.407 4.527 0.021 0.000 0.300 1330 F C 2.178 177.776 175.800 -0.337 0.000 1.090 1330 F CA 1.508 59.398 58.000 -0.183 0.000 1.293 1330 F CB -0.529 38.372 39.000 -0.165 0.000 1.013 1330 F HN 0.069 nan 8.300 nan 0.000 0.486 1331 G N 0.286 108.914 108.800 -0.286 0.000 2.422 1331 G HA2 -0.182 3.791 3.960 0.021 0.000 0.218 1331 G HA3 -0.182 3.791 3.960 0.021 0.000 0.218 1331 G C 1.822 176.567 174.900 -0.258 0.000 1.140 1331 G CA 0.202 45.048 45.100 -0.424 0.000 0.775 1331 G HN 0.164 nan 8.290 nan 0.000 0.545 1332 R N 0.183 120.591 120.500 -0.154 0.000 2.096 1332 R HA 0.070 4.422 4.340 0.021 0.000 0.235 1332 R C 2.548 178.732 176.300 -0.194 0.000 1.127 1332 R CA 0.639 56.664 56.100 -0.126 0.000 0.968 1332 R CB -0.603 29.659 30.300 -0.065 0.000 0.861 1332 R HN 0.436 nan 8.270 nan 0.000 0.440 1333 I N 0.701 121.100 120.570 -0.284 0.000 2.361 1333 I HA -0.283 3.900 4.170 0.021 0.000 0.251 1333 I C 2.151 178.045 176.117 -0.371 0.000 1.133 1333 I CA 0.830 61.934 61.300 -0.327 0.000 1.413 1333 I CB -0.175 37.581 38.000 -0.407 0.000 1.073 1333 I HN 0.096 nan 8.210 nan 0.000 0.424 1334 L N 0.392 121.325 121.223 -0.485 0.000 2.044 1334 L HA -0.165 4.188 4.340 0.021 0.000 0.205 1334 L C 2.501 179.236 176.870 -0.226 0.000 1.075 1334 L CA 1.694 56.299 54.840 -0.392 0.000 0.747 1334 L CB -1.252 40.521 42.059 -0.477 0.000 0.903 1334 L HN 0.346 nan 8.230 nan 0.000 0.435 1335 E N 0.115 120.204 120.200 -0.185 0.000 2.097 1335 E HA -0.262 4.101 4.350 0.021 0.000 0.196 1335 E C 1.862 178.402 176.600 -0.100 0.000 1.000 1335 E CA 1.575 57.909 56.400 -0.110 0.000 0.804 1335 E CB 0.180 29.833 29.700 -0.078 0.000 0.740 1335 E HN 0.524 nan 8.360 nan 0.000 0.454 1336 E N 0.047 120.177 120.200 -0.117 0.000 2.072 1336 E HA -0.157 4.205 4.350 0.021 0.000 0.190 1336 E C 1.717 178.259 176.600 -0.096 0.000 0.982 1336 E CA 0.726 57.068 56.400 -0.097 0.000 0.803 1336 E CB 0.032 29.673 29.700 -0.099 0.000 0.755 1336 E HN -0.088 nan 8.360 nan 0.000 0.453 1337 K N 0.727 121.053 120.400 -0.124 0.000 2.611 1337 K HA -0.075 4.258 4.320 0.021 0.000 0.193 1337 K C 0.220 176.766 176.600 -0.090 0.000 1.026 1337 K CA 0.408 56.629 56.287 -0.110 0.000 1.063 1337 K CB -0.004 32.413 32.500 -0.138 0.000 0.839 1337 K HN -0.036 nan 8.250 nan 0.000 0.505 1338 K N -1.454 118.897 120.400 -0.082 0.000 3.580 1338 K HA -0.267 4.066 4.320 0.021 0.000 0.288 1338 K C 1.043 177.607 176.600 -0.060 0.000 1.160 1338 K CA 1.261 57.511 56.287 -0.062 0.000 1.053 1338 K CB -1.557 30.914 32.500 -0.048 0.000 1.362 1338 K HN 0.232 nan 8.250 nan 0.000 0.436 1339 L N 0.317 121.497 121.223 -0.073 0.000 2.085 1339 L HA -0.173 4.180 4.340 0.021 0.000 0.218 1339 L C 1.209 178.049 176.870 -0.049 0.000 1.080 1339 L CA 2.257 57.059 54.840 -0.063 0.000 0.776 1339 L CB -0.604 41.406 42.059 -0.081 0.000 0.891 1339 L HN 0.456 nan 8.230 nan 0.000 0.437 1340 S N 0.000 115.667 115.700 -0.055 0.000 2.498 1340 S HA 0.000 4.483 4.470 0.021 0.000 0.327 1340 S CA 0.000 58.180 58.200 -0.034 0.000 1.107 1340 S CB 0.000 63.190 63.200 -0.017 0.000 0.593 1340 S HN 0.000 nan 8.310 nan 0.000 0.517