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 1pjl_1_C DATA FIRST_RESID 2023 DATA SEQUENCE EKGKPLXLNP RTNKGXAFTL QERQXLGLQG LLPPKIETQD IQALRFHRNL DATA SEQUENCE KKXTSPLEKY IYIXGIQERN EKLFYRILQD DIESLXPIVY TPTVGLACSQ DATA SEQUENCE YGHIFRRPKG LFISISDRGH VRSIVDNWPE NHVKAVVVTD GERILGLGDL DATA SEQUENCE GVYGXGIPVG KLCLYTACAG IRPDRCLPVC IDVGTDNIAL LKDPFYXGLY DATA SEQUENCE QKRDRTQQYD DLIDEFXKAI TDRYGRNTLI QFEDFGNHNA FRFLRKYREK DATA SEQUENCE YCTFNDDIQG TAAVALAGLL AAQKVISKPI SEHKILFLGA GEAALGIANL DATA SEQUENCE IVXSXVENGL SEQEAQKKIW XFDKYGLLVK GRKAKIDSYQ EPFTHSAPES DATA SEQUENCE IPDTFEDAVN ILKPSTIIGV AGAGRLFTPD VIRAXASINE RPVIFALSNP DATA SEQUENCE TAQAECTAEE AYTLTEGRCL FASGSPFGPV KLTDGRVFTP GQGNNVYIFP DATA SEQUENCE GVALAVILCN TRHISDSVFL EAAKALTSQL TDEELAQGRL YPPLANIQEV DATA SEQUENCE SINIAIKVTE YLYANKXAFR YPEPEDKAKY VKERTWRSEY DSLLPDVYEW DATA SEQUENCE P 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 2023 E HA 0.000 nan 4.350 nan 0.000 0.291 2023 E C 0.000 176.587 176.600 -0.021 0.000 1.382 2023 E CA 0.000 56.392 56.400 -0.013 0.000 0.976 2023 E CB 0.000 29.693 29.700 -0.011 0.000 0.812 2024 K N 0.455 120.836 120.400 -0.032 0.000 2.578 2024 K HA 0.879 5.190 4.320 -0.015 0.000 0.287 2024 K C 0.295 176.859 176.600 -0.060 0.000 1.010 2024 K CA -0.291 55.966 56.287 -0.050 0.000 0.889 2024 K CB 1.162 33.634 32.500 -0.047 0.000 1.514 2024 K HN 1.052 nan 8.250 nan 0.000 0.424 2025 G N 1.359 110.108 108.800 -0.085 0.000 2.499 2025 G HA2 -0.328 3.623 3.960 -0.015 0.000 0.232 2025 G HA3 -0.328 3.623 3.960 -0.015 0.000 0.232 2025 G C 0.346 175.190 174.900 -0.093 0.000 1.251 2025 G CA 0.346 45.395 45.100 -0.085 0.000 0.917 2025 G HN 0.932 nan 8.290 nan 0.000 0.580 2026 K N 1.157 121.518 120.400 -0.066 0.000 2.148 2026 K HA 0.078 4.389 4.320 -0.015 0.000 0.204 2026 K C -0.190 176.388 176.600 -0.036 0.000 1.050 2026 K CA 1.790 58.045 56.287 -0.053 0.000 0.942 2026 K CB -0.717 31.762 32.500 -0.035 0.000 0.724 2026 K HN 0.307 nan 8.250 nan 0.000 0.446 2027 P HA -0.155 nan 4.420 nan 0.000 0.224 2027 P C 0.037 177.330 177.300 -0.011 0.000 1.142 2027 P CA 0.567 63.655 63.100 -0.020 0.000 0.778 2027 P CB 0.110 31.797 31.700 -0.022 0.000 0.764 2031 N N 3.536 122.252 118.700 0.027 0.000 2.401 2031 N HA 0.155 4.886 4.740 -0.015 0.000 0.255 2031 N C -1.616 173.918 175.510 0.040 0.000 1.110 2031 N CA -1.555 51.506 53.050 0.018 0.000 0.949 2031 N CB 1.566 40.061 38.487 0.014 0.000 1.110 2031 N HN 0.044 nan 8.380 nan 0.000 0.490 2032 P HA -0.159 nan 4.420 nan 0.000 0.217 2032 P C 0.959 178.289 177.300 0.050 0.000 1.148 2032 P CA 1.109 64.220 63.100 0.018 0.000 0.828 2032 P CB 0.502 32.179 31.700 -0.038 0.000 0.783 2033 R N -0.255 120.267 120.500 0.037 0.000 2.152 2033 R HA -0.072 4.259 4.340 -0.015 0.000 0.232 2033 R C 2.349 178.722 176.300 0.122 0.000 1.117 2033 R CA 2.164 58.306 56.100 0.069 0.000 0.981 2033 R CB -0.850 29.469 30.300 0.031 0.000 0.870 2033 R HN 0.404 nan 8.270 nan 0.000 0.451 2034 T N -3.377 111.251 114.554 0.123 0.000 3.087 2034 T HA 0.084 4.425 4.350 -0.015 0.000 0.237 2034 T C 0.793 175.625 174.700 0.220 0.000 0.990 2034 T CA -0.386 61.817 62.100 0.172 0.000 1.160 2034 T CB -0.467 68.499 68.868 0.162 0.000 0.923 2034 T HN -0.029 nan 8.240 nan 0.000 0.442 2035 N N 2.361 121.201 118.700 0.233 0.000 2.138 2035 N HA -0.055 4.676 4.740 -0.015 0.000 0.271 2035 N C 0.230 175.698 175.510 -0.070 0.000 1.272 2035 N CA 0.629 53.834 53.050 0.259 0.000 0.819 2035 N CB 0.307 38.904 38.487 0.183 0.000 1.052 2035 N HN 0.482 nan 8.380 nan 0.000 0.479 2036 K N 1.754 121.711 120.400 -0.738 0.000 2.483 2036 K HA 0.208 4.519 4.320 -0.015 0.000 0.206 2036 K C 0.673 176.867 176.600 -0.677 0.000 1.086 2036 K CA 0.110 55.767 56.287 -1.050 0.000 1.052 2036 K CB 0.266 31.512 32.500 -2.089 0.000 0.904 2036 K HN 0.825 nan 8.250 nan 0.000 0.557 2040 F N 2.219 122.073 119.950 -0.160 0.000 2.404 2040 F HA 0.433 4.952 4.527 -0.013 0.000 0.345 2040 F C 1.459 177.205 175.800 -0.090 0.000 1.110 2040 F CA 0.440 58.352 58.000 -0.148 0.000 1.130 2040 F CB 1.481 40.418 39.000 -0.104 0.000 1.129 2040 F HN 0.240 nan 8.300 nan 0.000 0.500 2041 T N 3.126 117.761 114.554 0.136 0.000 2.930 2041 T HA 0.038 4.379 4.350 -0.015 0.000 0.306 2041 T C 1.143 175.879 174.700 0.060 0.000 1.045 2041 T CA -0.845 61.297 62.100 0.070 0.000 1.134 2041 T CB 0.943 69.840 68.868 0.047 0.000 0.961 2041 T HN 0.640 nan 8.240 nan 0.000 0.545 2042 L N 2.510 123.756 121.223 0.037 0.000 2.051 2042 L HA -0.138 4.193 4.340 -0.015 0.000 0.214 2042 L C 2.697 179.572 176.870 0.008 0.000 1.076 2042 L CA 2.199 57.051 54.840 0.020 0.000 0.758 2042 L CB -1.190 40.879 42.059 0.016 0.000 0.890 2042 L HN 0.985 nan 8.230 nan 0.000 0.433 2043 Q N -0.580 119.228 119.800 0.012 0.000 2.002 2043 Q HA -0.242 4.090 4.340 -0.015 0.000 0.204 2043 Q C 2.060 178.056 176.000 -0.007 0.000 0.988 2043 Q CA 2.429 58.235 55.803 0.004 0.000 0.843 2043 Q CB -0.148 28.597 28.738 0.012 0.000 0.908 2043 Q HN 0.714 nan 8.270 nan 0.000 0.420 2044 E N 0.122 120.324 120.200 0.004 0.000 2.033 2044 E HA -0.265 4.076 4.350 -0.015 0.000 0.199 2044 E C 2.102 178.656 176.600 -0.077 0.000 1.011 2044 E CA 1.157 57.545 56.400 -0.019 0.000 0.815 2044 E CB -0.336 29.382 29.700 0.030 0.000 0.755 2044 E HN 0.260 nan 8.360 nan 0.000 0.451 2045 R N 0.749 121.205 120.500 -0.074 0.000 2.204 2045 R HA -0.158 4.174 4.340 -0.015 0.000 0.253 2045 R C 1.246 177.494 176.300 -0.086 0.000 1.172 2045 R CA 1.196 57.231 56.100 -0.107 0.000 0.994 2045 R CB -0.118 30.154 30.300 -0.046 0.000 0.874 2045 R HN 0.292 nan 8.270 nan 0.000 0.462 2049 G N 1.827 110.573 108.800 -0.089 0.000 2.324 2049 G HA2 -0.262 3.689 3.960 -0.015 0.000 0.292 2049 G HA3 -0.262 3.689 3.960 -0.015 0.000 0.292 2049 G C 0.606 175.447 174.900 -0.097 0.000 1.079 2049 G CA 0.725 45.778 45.100 -0.078 0.000 1.026 2049 G HN 0.339 nan 8.290 nan 0.000 0.506 2050 L N -1.447 119.706 121.223 -0.117 0.000 2.717 2050 L HA 0.252 4.583 4.340 -0.015 0.000 0.239 2050 L C 1.499 178.315 176.870 -0.090 0.000 1.086 2050 L CA -0.183 54.574 54.840 -0.138 0.000 0.897 2050 L CB 0.100 42.015 42.059 -0.239 0.000 1.214 2050 L HN 0.348 nan 8.230 nan 0.000 0.508 2051 Q N 1.313 121.071 119.800 -0.070 0.000 2.264 2051 Q HA 0.184 4.516 4.340 -0.015 0.000 0.296 2051 Q C 0.984 176.963 176.000 -0.034 0.000 1.103 2051 Q CA 1.443 57.220 55.803 -0.044 0.000 0.967 2051 Q CB 0.140 28.857 28.738 -0.035 0.000 1.090 2051 Q HN 0.409 nan 8.270 nan 0.000 0.379 2052 G N 2.983 111.768 108.800 -0.024 0.000 2.179 2052 G HA2 -0.214 3.737 3.960 -0.015 0.000 0.220 2052 G HA3 -0.214 3.737 3.960 -0.015 0.000 0.220 2052 G C 0.347 175.237 174.900 -0.017 0.000 0.990 2052 G CA 0.188 45.278 45.100 -0.017 0.000 0.646 2052 G HN 0.572 nan 8.290 nan 0.000 0.517 2053 L N -0.384 120.824 121.223 -0.024 0.000 2.638 2053 L HA 0.521 4.852 4.340 -0.015 0.000 0.232 2053 L C 1.004 177.872 176.870 -0.004 0.000 1.099 2053 L CA 0.311 55.139 54.840 -0.021 0.000 0.883 2053 L CB 0.254 42.288 42.059 -0.042 0.000 1.136 2053 L HN 0.154 nan 8.230 nan 0.000 0.492 2054 L N 0.209 121.433 121.223 0.002 0.000 2.323 2054 L HA 0.495 4.826 4.340 -0.015 0.000 0.265 2054 L C -2.194 174.690 176.870 0.024 0.000 1.012 2054 L CA -1.796 53.060 54.840 0.027 0.000 0.820 2054 L CB 2.330 44.418 42.059 0.049 0.000 1.334 2054 L HN -0.180 nan 8.230 nan 0.000 0.427 2055 P HA 0.177 nan 4.420 nan 0.000 0.274 2055 P C -2.375 174.941 177.300 0.027 0.000 1.231 2055 P CA -1.401 61.715 63.100 0.026 0.000 0.790 2055 P CB -0.003 31.715 31.700 0.029 0.000 0.951 2056 P HA -0.050 nan 4.420 nan 0.000 0.296 2056 P C 0.189 177.502 177.300 0.023 0.000 1.447 2056 P CA 1.002 64.113 63.100 0.019 0.000 0.750 2056 P CB 0.121 31.829 31.700 0.014 0.000 1.451 2057 K N 1.258 121.675 120.400 0.029 0.000 2.378 2057 K HA 0.371 4.683 4.320 -0.015 0.000 0.252 2057 K C -0.563 176.059 176.600 0.036 0.000 0.931 2057 K CA -0.953 55.353 56.287 0.031 0.000 0.794 2057 K CB 1.769 34.288 32.500 0.031 0.000 1.181 2057 K HN -0.099 nan 8.250 nan 0.000 0.425 2058 I N 4.433 125.023 120.570 0.033 0.000 2.442 2058 I HA 0.215 4.376 4.170 -0.015 0.000 0.279 2058 I C 0.663 176.798 176.117 0.030 0.000 1.081 2058 I CA -0.423 60.897 61.300 0.034 0.000 1.197 2058 I CB 0.507 38.525 38.000 0.031 0.000 1.394 2058 I HN 0.404 nan 8.210 nan 0.000 0.488 2059 E N 3.461 123.680 120.200 0.032 0.000 2.392 2059 E HA 0.267 4.608 4.350 -0.015 0.000 0.256 2059 E C 0.600 177.224 176.600 0.039 0.000 1.145 2059 E CA -0.082 56.341 56.400 0.038 0.000 0.929 2059 E CB 1.213 30.941 29.700 0.046 0.000 0.998 2059 E HN 0.595 nan 8.360 nan 0.000 0.442 2060 T N -2.404 112.184 114.554 0.057 0.000 2.876 2060 T HA 0.097 4.438 4.350 -0.015 0.000 0.277 2060 T C 0.812 175.582 174.700 0.116 0.000 0.997 2060 T CA -0.641 61.504 62.100 0.076 0.000 0.966 2060 T CB 1.245 70.147 68.868 0.057 0.000 1.312 2060 T HN 0.481 nan 8.240 nan 0.000 0.598 2061 Q N -0.670 119.204 119.800 0.123 0.000 2.360 2061 Q HA 0.026 4.357 4.340 -0.015 0.000 0.202 2061 Q C 0.652 176.666 176.000 0.023 0.000 0.915 2061 Q CA 0.417 56.267 55.803 0.078 0.000 0.943 2061 Q CB 0.113 28.822 28.738 -0.048 0.000 1.064 2061 Q HN 0.648 nan 8.270 nan 0.000 0.511 2062 D N -0.002 120.421 120.400 0.040 0.000 2.277 2062 D HA -0.005 4.626 4.640 -0.015 0.000 0.209 2062 D C 1.710 178.045 176.300 0.059 0.000 0.970 2062 D CA 0.448 54.472 54.000 0.039 0.000 0.874 2062 D CB 0.334 41.153 40.800 0.032 0.000 0.982 2062 D HN 0.321 nan 8.370 nan 0.000 0.504 2063 I N 1.481 122.087 120.570 0.061 0.000 2.162 2063 I HA -0.258 3.903 4.170 -0.015 0.000 0.238 2063 I C 2.552 178.717 176.117 0.080 0.000 1.076 2063 I CA 0.982 62.322 61.300 0.067 0.000 1.353 2063 I CB -0.384 37.651 38.000 0.059 0.000 1.063 2063 I HN -0.134 nan 8.210 nan 0.000 0.408 2064 Q N 1.069 120.916 119.800 0.078 0.000 2.118 2064 Q HA -0.287 4.044 4.340 -0.015 0.000 0.211 2064 Q C 2.405 178.460 176.000 0.092 0.000 0.998 2064 Q CA 2.170 58.023 55.803 0.083 0.000 0.872 2064 Q CB -0.536 28.250 28.738 0.081 0.000 0.925 2064 Q HN 0.613 nan 8.270 nan 0.000 0.414 2065 A N 0.888 123.747 122.820 0.065 0.000 1.902 2065 A HA -0.177 4.134 4.320 -0.015 0.000 0.217 2065 A C 2.098 179.794 177.584 0.186 0.000 1.181 2065 A CA 1.351 53.425 52.037 0.062 0.000 0.623 2065 A CB -0.703 18.316 19.000 0.031 0.000 0.818 2065 A HN 0.359 nan 8.150 nan 0.000 0.443 2066 L N 0.065 121.395 121.223 0.179 0.000 1.956 2066 L HA -0.202 4.129 4.340 -0.015 0.000 0.216 2066 L C 2.478 179.467 176.870 0.198 0.000 1.073 2066 L CA 2.679 57.642 54.840 0.206 0.000 0.762 2066 L CB -0.640 41.495 42.059 0.127 0.000 0.889 2066 L HN 0.468 nan 8.230 nan 0.000 0.433 2067 R N -1.293 119.296 120.500 0.148 0.000 2.204 2067 R HA -0.280 4.051 4.340 -0.015 0.000 0.253 2067 R C 2.256 178.644 176.300 0.147 0.000 1.172 2067 R CA 2.125 58.300 56.100 0.125 0.000 0.994 2067 R CB -0.670 29.698 30.300 0.115 0.000 0.874 2067 R HN 0.533 nan 8.270 nan 0.000 0.462 2068 F N 0.542 120.515 119.950 0.037 0.000 2.014 2068 F HA -0.199 4.319 4.527 -0.015 0.000 0.295 2068 F C 2.014 177.823 175.800 0.014 0.000 1.145 2068 F CA 2.256 60.265 58.000 0.015 0.000 1.178 2068 F CB -0.655 38.239 39.000 -0.177 0.000 0.972 2068 F HN 0.105 nan 8.300 nan 0.000 0.476 2069 H N -0.657 118.511 119.070 0.162 0.000 2.319 2069 H HA -0.176 4.371 4.556 -0.014 0.000 0.297 2069 H C 2.184 177.465 175.328 -0.078 0.000 1.097 2069 H CA 1.866 57.923 56.048 0.015 0.000 1.285 2069 H CB -0.343 29.504 29.762 0.141 0.000 1.368 2069 H HN 0.072 nan 8.280 nan 0.000 0.495 2070 R N 0.562 121.127 120.500 0.108 0.000 2.226 2070 R HA -0.123 4.208 4.340 -0.015 0.000 0.246 2070 R C 1.428 177.694 176.300 -0.056 0.000 1.161 2070 R CA 1.386 57.506 56.100 0.033 0.000 0.997 2070 R CB -0.135 30.195 30.300 0.050 0.000 0.870 2070 R HN 0.424 nan 8.270 nan 0.000 0.465 2071 N N -1.483 117.130 118.700 -0.146 0.000 2.397 2071 N HA -0.028 4.704 4.740 -0.015 0.000 0.190 2071 N C 0.959 176.210 175.510 -0.431 0.000 1.099 2071 N CA 0.115 53.003 53.050 -0.271 0.000 0.876 2071 N CB 0.266 38.589 38.487 -0.272 0.000 1.143 2071 N HN 0.112 nan 8.380 nan 0.000 0.468 2072 L N 2.493 123.436 121.223 -0.466 0.000 2.217 2072 L HA 0.002 4.334 4.340 -0.015 0.000 0.211 2072 L C 2.263 179.009 176.870 -0.207 0.000 1.107 2072 L CA 1.556 56.144 54.840 -0.420 0.000 0.783 2072 L CB -0.453 41.332 42.059 -0.456 0.000 0.919 2072 L HN -0.013 nan 8.230 nan 0.000 0.442 2073 K N 0.015 120.335 120.400 -0.134 0.000 1.991 2073 K HA -0.152 4.159 4.320 -0.015 0.000 0.212 2073 K C 0.846 177.395 176.600 -0.086 0.000 1.049 2073 K CA 1.102 57.348 56.287 -0.069 0.000 0.932 2073 K CB -0.043 32.436 32.500 -0.035 0.000 0.717 2073 K HN 0.247 nan 8.250 nan 0.000 0.441 2077 S N 4.015 119.703 115.700 -0.020 0.000 2.573 2077 S HA 0.199 4.660 4.470 -0.015 0.000 0.277 2077 S C -1.487 173.118 174.600 0.007 0.000 1.346 2077 S CA -0.559 57.634 58.200 -0.011 0.000 1.034 2077 S CB 0.676 63.864 63.200 -0.020 0.000 0.879 2077 S HN 0.370 nan 8.310 nan 0.000 0.528 2078 P HA -0.049 nan 4.420 nan 0.000 0.223 2078 P C 1.578 178.927 177.300 0.081 0.000 1.151 2078 P CA 0.510 63.641 63.100 0.053 0.000 0.787 2078 P CB -0.052 31.674 31.700 0.045 0.000 0.788 2079 L N 0.421 121.661 121.223 0.028 0.000 2.072 2079 L HA 0.002 4.334 4.340 -0.015 0.000 0.205 2079 L C 2.477 179.383 176.870 0.060 0.000 1.079 2079 L CA 1.768 56.604 54.840 -0.006 0.000 0.752 2079 L CB -1.184 40.818 42.059 -0.095 0.000 0.906 2079 L HN -0.170 nan 8.230 nan 0.000 0.436 2080 E N -0.157 120.067 120.200 0.041 0.000 2.118 2080 E HA -0.258 4.083 4.350 -0.015 0.000 0.195 2080 E C 1.994 178.665 176.600 0.119 0.000 0.992 2080 E CA 1.391 57.822 56.400 0.050 0.000 0.804 2080 E CB 0.029 29.728 29.700 -0.000 0.000 0.741 2080 E HN 0.565 nan 8.360 nan 0.000 0.458 2081 K N -0.411 120.065 120.400 0.127 0.000 2.103 2081 K HA -0.166 4.146 4.320 -0.015 0.000 0.204 2081 K C 2.118 178.892 176.600 0.289 0.000 1.052 2081 K CA 1.173 57.569 56.287 0.182 0.000 0.945 2081 K CB -0.325 32.253 32.500 0.130 0.000 0.722 2081 K HN 0.298 nan 8.250 nan 0.000 0.443 2082 Y N 1.851 122.220 120.300 0.114 0.000 2.089 2082 Y HA -0.218 4.323 4.550 -0.015 0.000 0.282 2082 Y C 2.032 178.001 175.900 0.114 0.000 1.139 2082 Y CA 1.430 59.597 58.100 0.111 0.000 1.123 2082 Y CB -0.195 38.309 38.460 0.074 0.000 0.980 2082 Y HN -0.120 nan 8.280 nan 0.000 0.493 2083 I N -0.184 120.717 120.570 0.551 0.000 2.502 2083 I HA -0.327 3.834 4.170 -0.015 0.000 0.258 2083 I C 1.965 178.229 176.117 0.246 0.000 1.172 2083 I CA 1.458 62.971 61.300 0.354 0.000 1.430 2083 I CB -0.418 37.697 38.000 0.190 0.000 1.086 2083 I HN 0.430 nan 8.210 nan 0.000 0.440 2084 Y N 1.154 121.525 120.300 0.118 0.000 2.177 2084 Y HA 0.065 4.607 4.550 -0.013 0.000 0.291 2084 Y C 1.415 177.398 175.900 0.138 0.000 1.117 2084 Y CA 0.076 58.227 58.100 0.086 0.000 1.114 2084 Y CB -0.146 38.334 38.460 0.033 0.000 1.017 2084 Y HN -0.003 nan 8.280 nan 0.000 0.505 2088 I N 2.043 122.589 120.570 -0.039 0.000 3.564 2088 I HA 0.099 4.261 4.170 -0.015 0.000 0.294 2088 I C 2.024 178.176 176.117 0.057 0.000 1.289 2088 I CA 0.860 62.163 61.300 0.005 0.000 1.325 2088 I CB -0.484 37.494 38.000 -0.036 0.000 1.039 2088 I HN 0.422 nan 8.210 nan 0.000 0.474 2089 Q N 1.845 121.558 119.800 -0.146 0.000 2.134 2089 Q HA -0.046 4.285 4.340 -0.015 0.000 0.195 2089 Q C 1.012 176.766 176.000 -0.410 0.000 0.958 2089 Q CA 0.828 56.170 55.803 -0.769 0.000 0.840 2089 Q CB 0.351 28.341 28.738 -1.245 0.000 0.918 2089 Q HN 0.381 nan 8.270 nan 0.000 0.467 2090 E N 0.460 120.509 120.200 -0.252 0.000 2.335 2090 E HA 0.041 4.382 4.350 -0.015 0.000 0.191 2090 E C 0.619 177.164 176.600 -0.092 0.000 1.077 2090 E CA 0.018 56.322 56.400 -0.161 0.000 1.010 2090 E CB 0.720 30.340 29.700 -0.134 0.000 1.141 2090 E HN 0.305 nan 8.360 nan 0.000 0.452 2091 R N 0.320 120.775 120.500 -0.076 0.000 2.437 2091 R HA 0.097 4.428 4.340 -0.015 0.000 0.184 2091 R C 0.107 176.413 176.300 0.010 0.000 0.850 2091 R CA 0.161 56.248 56.100 -0.021 0.000 1.073 2091 R CB 0.685 30.977 30.300 -0.013 0.000 1.336 2091 R HN -0.091 nan 8.270 nan 0.000 0.640 2092 N N 1.129 119.836 118.700 0.012 0.000 2.621 2092 N HA 0.038 4.770 4.740 -0.015 0.000 0.271 2092 N C -0.518 175.037 175.510 0.076 0.000 1.181 2092 N CA -0.053 53.034 53.050 0.062 0.000 0.805 2092 N CB 1.667 40.203 38.487 0.083 0.000 1.351 2092 N HN 0.224 nan 8.380 nan 0.000 0.539 2093 E N 1.924 122.171 120.200 0.079 0.000 2.048 2093 E HA -0.238 4.103 4.350 -0.015 0.000 0.202 2093 E C 0.837 177.623 176.600 0.310 0.000 1.021 2093 E CA 1.517 57.989 56.400 0.120 0.000 0.825 2093 E CB 0.370 30.157 29.700 0.145 0.000 0.756 2093 E HN 0.486 nan 8.360 nan 0.000 0.454 2094 K N 0.547 121.125 120.400 0.297 0.000 1.978 2094 K HA -0.188 4.123 4.320 -0.015 0.000 0.214 2094 K C 2.304 178.924 176.600 0.034 0.000 1.049 2094 K CA 0.722 57.125 56.287 0.194 0.000 0.939 2094 K CB -1.149 31.290 32.500 -0.102 0.000 0.721 2094 K HN 0.136 nan 8.250 nan 0.000 0.441 2095 L N 1.091 122.268 121.223 -0.077 0.000 1.997 2095 L HA -0.225 4.106 4.340 -0.015 0.000 0.216 2095 L C 2.364 179.175 176.870 -0.097 0.000 1.074 2095 L CA 1.700 56.468 54.840 -0.119 0.000 0.763 2095 L CB -0.859 41.175 42.059 -0.042 0.000 0.890 2095 L HN 0.208 nan 8.230 nan 0.000 0.434 2096 F N -0.673 119.168 119.950 -0.183 0.000 2.063 2096 F HA -0.361 4.159 4.527 -0.013 0.000 0.298 2096 F C 2.182 177.843 175.800 -0.232 0.000 1.109 2096 F CA 2.223 60.049 58.000 -0.290 0.000 1.212 2096 F CB -0.699 38.079 39.000 -0.370 0.000 0.973 2096 F HN 0.172 nan 8.300 nan 0.000 0.480 2097 Y N -0.216 120.209 120.300 0.208 0.000 2.439 2097 Y HA -0.164 4.377 4.550 -0.016 0.000 0.292 2097 Y C 2.513 178.373 175.900 -0.068 0.000 1.130 2097 Y CA 0.629 58.807 58.100 0.130 0.000 1.254 2097 Y CB -0.243 38.513 38.460 0.494 0.000 1.000 2097 Y HN 0.128 nan 8.280 nan 0.000 0.554 2098 R N 1.266 121.769 120.500 0.005 0.000 2.062 2098 R HA -0.146 4.185 4.340 -0.015 0.000 0.231 2098 R C 1.699 177.908 176.300 -0.153 0.000 1.136 2098 R CA 2.077 58.111 56.100 -0.110 0.000 0.948 2098 R CB -1.038 29.149 30.300 -0.189 0.000 0.845 2098 R HN 0.308 nan 8.270 nan 0.000 0.430 2099 I N 0.954 121.357 120.570 -0.280 0.000 2.335 2099 I HA -0.243 3.918 4.170 -0.015 0.000 0.251 2099 I C 2.134 178.069 176.117 -0.303 0.000 1.129 2099 I CA 0.606 61.681 61.300 -0.375 0.000 1.402 2099 I CB -0.511 36.986 38.000 -0.838 0.000 1.069 2099 I HN 0.223 nan 8.210 nan 0.000 0.424 2100 L N 0.981 122.007 121.223 -0.329 0.000 1.956 2100 L HA -0.284 4.047 4.340 -0.015 0.000 0.216 2100 L C 2.604 179.429 176.870 -0.075 0.000 1.073 2100 L CA 2.243 56.948 54.840 -0.224 0.000 0.762 2100 L CB -1.223 40.782 42.059 -0.091 0.000 0.889 2100 L HN 0.372 nan 8.230 nan 0.000 0.433 2101 Q N -1.241 118.539 119.800 -0.033 0.000 2.224 2101 Q HA -0.195 4.136 4.340 -0.015 0.000 0.203 2101 Q C 1.753 177.744 176.000 -0.015 0.000 0.970 2101 Q CA 1.199 56.992 55.803 -0.017 0.000 0.865 2101 Q CB -0.207 28.519 28.738 -0.021 0.000 0.922 2101 Q HN 0.410 nan 8.270 nan 0.000 0.445 2102 D N 0.753 121.140 120.400 -0.022 0.000 2.220 2102 D HA -0.179 4.452 4.640 -0.015 0.000 0.198 2102 D C 0.396 176.722 176.300 0.044 0.000 1.001 2102 D CA 1.396 55.408 54.000 0.020 0.000 0.875 2102 D CB 0.030 40.874 40.800 0.073 0.000 0.921 2102 D HN 0.171 nan 8.370 nan 0.000 0.454 2103 D N -1.860 118.571 120.400 0.051 0.000 3.120 2103 D HA -0.010 4.622 4.640 -0.015 0.000 0.331 2103 D C 1.179 177.506 176.300 0.044 0.000 1.595 2103 D CA -0.303 53.731 54.000 0.058 0.000 0.771 2103 D CB -0.576 40.292 40.800 0.113 0.000 1.274 2103 D HN 0.056 nan 8.370 nan 0.000 0.503 2104 I N 0.755 121.337 120.570 0.020 0.000 2.191 2104 I HA -0.294 3.867 4.170 -0.015 0.000 0.248 2104 I C 1.810 177.941 176.117 0.023 0.000 1.061 2104 I CA 2.170 63.478 61.300 0.014 0.000 1.329 2104 I CB 0.013 38.016 38.000 0.004 0.000 1.024 2104 I HN 0.296 nan 8.210 nan 0.000 0.423 2105 E N -0.050 120.166 120.200 0.026 0.000 2.051 2105 E HA -0.213 4.128 4.350 -0.015 0.000 0.192 2105 E C 2.063 178.689 176.600 0.043 0.000 0.991 2105 E CA 1.836 58.254 56.400 0.030 0.000 0.799 2105 E CB -0.129 29.592 29.700 0.034 0.000 0.748 2105 E HN 0.699 nan 8.360 nan 0.000 0.449 2106 S N 0.359 116.092 115.700 0.054 0.000 2.425 2106 S HA 0.030 4.492 4.470 -0.015 0.000 0.225 2106 S C 0.887 175.536 174.600 0.080 0.000 1.024 2106 S CA -0.123 58.117 58.200 0.067 0.000 0.951 2106 S CB 0.162 63.406 63.200 0.073 0.000 0.796 2106 S HN 0.107 nan 8.310 nan 0.000 0.498 2110 I N -0.641 120.010 120.570 0.135 0.000 3.194 2110 I HA 0.058 4.220 4.170 -0.015 0.000 0.271 2110 I C 1.999 178.245 176.117 0.216 0.000 1.150 2110 I CA 0.572 61.977 61.300 0.176 0.000 1.440 2110 I CB -0.704 37.393 38.000 0.162 0.000 1.276 2110 I HN -0.260 nan 8.210 nan 0.000 0.457 2111 V N 0.387 120.383 119.914 0.136 0.000 2.490 2111 V HA -0.227 3.884 4.120 -0.015 0.000 0.250 2111 V C 1.459 177.701 176.094 0.247 0.000 1.061 2111 V CA 1.720 64.073 62.300 0.088 0.000 1.064 2111 V CB -0.515 31.363 31.823 0.091 0.000 0.670 2111 V HN 0.334 nan 8.190 nan 0.000 0.461 2112 Y N 0.252 120.616 120.300 0.106 0.000 3.334 2112 Y HA 0.376 4.917 4.550 -0.015 0.000 0.288 2112 Y C 1.101 177.061 175.900 0.100 0.000 1.847 2112 Y CA -0.604 57.560 58.100 0.108 0.000 0.836 2112 Y CB 0.247 38.763 38.460 0.093 0.000 1.351 2112 Y HN 0.064 nan 8.280 nan 0.000 0.673 2113 T N 1.559 115.911 114.554 -0.337 0.000 2.928 2113 T HA 0.177 4.518 4.350 -0.015 0.000 0.305 2113 T C -2.268 172.404 174.700 -0.048 0.000 1.035 2113 T CA -0.930 61.021 62.100 -0.250 0.000 1.145 2113 T CB 1.047 69.818 68.868 -0.162 0.000 0.963 2113 T HN 0.381 nan 8.240 nan 0.000 0.545 2114 P HA 0.148 nan 4.420 nan 0.000 0.252 2114 P C 1.457 178.711 177.300 -0.077 0.000 1.211 2114 P CA 0.087 63.131 63.100 -0.094 0.000 0.824 2114 P CB 0.007 31.667 31.700 -0.066 0.000 1.077 2115 T N 0.179 114.725 114.554 -0.014 0.000 2.751 2115 T HA -0.159 4.182 4.350 -0.015 0.000 0.268 2115 T C 1.718 176.417 174.700 -0.002 0.000 1.045 2115 T CA 1.495 63.608 62.100 0.022 0.000 1.142 2115 T CB -1.031 67.919 68.868 0.137 0.000 0.851 2115 T HN -0.042 nan 8.240 nan 0.000 0.474 2116 V N 1.052 120.985 119.914 0.031 0.000 2.871 2116 V HA 0.099 4.210 4.120 -0.015 0.000 0.256 2116 V C 2.437 178.484 176.094 -0.079 0.000 1.082 2116 V CA 1.776 64.112 62.300 0.061 0.000 1.105 2116 V CB -0.768 31.092 31.823 0.061 0.000 0.713 2116 V HN 0.572 nan 8.190 nan 0.000 0.473 2117 G N -0.646 108.077 108.800 -0.128 0.000 2.421 2117 G HA2 -0.155 3.797 3.960 -0.015 0.000 0.217 2117 G HA3 -0.155 3.797 3.960 -0.015 0.000 0.217 2117 G C 1.495 176.324 174.900 -0.119 0.000 1.143 2117 G CA 0.916 45.939 45.100 -0.128 0.000 0.784 2117 G HN 0.484 nan 8.290 nan 0.000 0.541 2118 L N 0.455 121.601 121.223 -0.129 0.000 1.973 2118 L HA 0.029 4.360 4.340 -0.015 0.000 0.208 2118 L C 3.373 180.125 176.870 -0.196 0.000 1.073 2118 L CA 1.287 56.037 54.840 -0.149 0.000 0.746 2118 L CB -0.370 41.602 42.059 -0.145 0.000 0.891 2118 L HN 0.289 nan 8.230 nan 0.000 0.433 2119 A N -1.004 121.643 122.820 -0.289 0.000 1.927 2119 A HA -0.319 3.992 4.320 -0.015 0.000 0.220 2119 A C 2.324 179.855 177.584 -0.089 0.000 1.185 2119 A CA 2.213 54.023 52.037 -0.379 0.000 0.639 2119 A CB -1.513 16.965 19.000 -0.869 0.000 0.820 2119 A HN 0.654 nan 8.150 nan 0.000 0.451 2120 C N -1.440 117.830 119.300 -0.050 0.000 2.422 2120 C HA -0.026 4.425 4.460 -0.015 0.000 0.279 2120 C C 3.289 178.234 174.990 -0.075 0.000 1.305 2120 C CA 1.371 60.367 59.018 -0.036 0.000 1.757 2120 C CB -1.177 26.506 27.740 -0.096 0.000 1.962 2120 C HN 0.655 nan 8.230 nan 0.000 0.499 2121 S N -0.724 114.906 115.700 -0.116 0.000 2.387 2121 S HA -0.106 4.355 4.470 -0.015 0.000 0.226 2121 S C 2.015 176.456 174.600 -0.266 0.000 1.026 2121 S CA 1.091 59.207 58.200 -0.139 0.000 0.972 2121 S CB -0.175 62.952 63.200 -0.122 0.000 0.814 2121 S HN 0.587 nan 8.310 nan 0.000 0.477 2122 Q N -0.455 119.186 119.800 -0.266 0.000 2.389 2122 Q HA 0.138 4.469 4.340 -0.015 0.000 0.204 2122 Q C -0.199 175.604 176.000 -0.328 0.000 0.944 2122 Q CA 0.041 55.650 55.803 -0.323 0.000 0.908 2122 Q CB -0.241 28.337 28.738 -0.267 0.000 1.002 2122 Q HN 0.565 nan 8.270 nan 0.000 0.493 2123 Y N 0.719 120.724 120.300 -0.491 0.000 3.073 2123 Y HA -0.081 4.460 4.550 -0.015 0.000 0.344 2123 Y C 1.639 177.174 175.900 -0.609 0.000 1.277 2123 Y CA 2.213 60.067 58.100 -0.410 0.000 1.534 2123 Y CB 0.295 38.577 38.460 -0.298 0.000 1.273 2123 Y HN 0.456 nan 8.280 nan 0.000 0.633 2124 G N 1.627 110.457 108.800 0.049 0.000 2.199 2124 G HA2 -0.337 3.614 3.960 -0.015 0.000 0.254 2124 G HA3 -0.337 3.614 3.960 -0.015 0.000 0.254 2124 G C 0.555 175.561 174.900 0.178 0.000 0.982 2124 G CA 0.783 46.104 45.100 0.368 0.000 0.632 2124 G HN 0.767 nan 8.290 nan 0.000 0.529 2125 H N -0.498 118.499 119.070 -0.121 0.000 2.274 2125 H HA 0.361 4.908 4.556 -0.015 0.000 0.271 2125 H C 2.445 177.673 175.328 -0.167 0.000 0.945 2125 H CA 0.856 56.736 56.048 -0.279 0.000 1.200 2125 H CB -0.178 29.379 29.762 -0.341 0.000 1.456 2125 H HN 0.482 nan 8.280 nan 0.000 0.536 2126 I N -0.934 119.624 120.570 -0.019 0.000 3.605 2126 I HA 0.095 4.256 4.170 -0.015 0.000 0.301 2126 I C 0.046 176.120 176.117 -0.072 0.000 1.267 2126 I CA -0.050 61.211 61.300 -0.066 0.000 1.236 2126 I CB -0.678 37.247 38.000 -0.125 0.000 1.010 2126 I HN -0.057 nan 8.210 nan 0.000 0.491 2127 F N 2.161 122.000 119.950 -0.186 0.000 2.602 2127 F HA 0.170 4.687 4.527 -0.016 0.000 0.367 2127 F C 1.120 176.857 175.800 -0.105 0.000 1.126 2127 F CA 0.383 58.266 58.000 -0.196 0.000 1.321 2127 F CB 0.439 39.362 39.000 -0.128 0.000 1.094 2127 F HN 0.027 nan 8.300 nan 0.000 0.594 2128 R N 2.474 122.594 120.500 -0.634 0.000 3.953 2128 R HA 0.388 4.719 4.340 -0.015 0.000 0.120 2128 R C -0.549 175.496 176.300 -0.426 0.000 1.633 2128 R CA -0.212 55.713 56.100 -0.291 0.000 1.197 2128 R CB -0.059 30.123 30.300 -0.197 0.000 1.240 2128 R HN 0.587 nan 8.270 nan 0.000 0.431 2129 R N 1.002 121.211 120.500 -0.486 0.000 2.664 2129 R HA 0.497 4.829 4.340 -0.015 0.000 0.286 2129 R C -2.380 173.677 176.300 -0.406 0.000 0.967 2129 R CA -2.016 53.908 56.100 -0.293 0.000 0.933 2129 R CB 1.508 31.725 30.300 -0.138 0.000 1.146 2129 R HN 0.115 nan 8.270 nan 0.000 0.468 2130 P HA 0.189 nan 4.420 nan 0.000 0.274 2130 P C -0.520 176.852 177.300 0.121 0.000 1.246 2130 P CA -0.288 62.861 63.100 0.081 0.000 0.795 2130 P CB 0.967 32.811 31.700 0.240 0.000 1.006 2131 K N -0.336 120.223 120.400 0.266 0.000 2.556 2131 K HA 0.250 4.561 4.320 -0.015 0.000 0.201 2131 K C 1.140 177.895 176.600 0.259 0.000 1.423 2131 K CA 0.321 56.729 56.287 0.203 0.000 1.010 2131 K CB 0.341 32.903 32.500 0.104 0.000 1.409 2131 K HN 0.580 nan 8.250 nan 0.000 0.538 2132 G N 1.423 110.358 108.800 0.226 0.000 3.039 2132 G HA2 0.538 4.489 3.960 -0.015 0.000 0.159 2132 G HA3 0.538 4.489 3.960 -0.015 0.000 0.159 2132 G C -1.194 173.631 174.900 -0.125 0.000 1.284 2132 G CA -0.397 44.649 45.100 -0.090 0.000 0.996 2132 G HN -0.008 nan 8.290 nan 0.000 0.592 2133 L N -0.408 120.465 121.223 -0.583 0.000 2.334 2133 L HA 0.709 5.040 4.340 -0.015 0.000 0.276 2133 L C -1.587 174.828 176.870 -0.758 0.000 1.014 2133 L CA -0.597 53.995 54.840 -0.413 0.000 0.815 2133 L CB 1.674 43.466 42.059 -0.445 0.000 1.268 2133 L HN 0.288 nan 8.230 nan 0.000 0.428 2134 F N 5.686 125.604 119.950 -0.053 0.000 2.445 2134 F HA 0.515 5.032 4.527 -0.017 0.000 0.348 2134 F C -0.348 175.410 175.800 -0.070 0.000 1.125 2134 F CA -0.487 57.471 58.000 -0.070 0.000 0.983 2134 F CB 1.044 40.027 39.000 -0.028 0.000 1.198 2134 F HN 0.130 nan 8.300 nan 0.000 0.436 2135 I N 2.750 123.297 120.570 -0.038 0.000 2.354 2135 I HA 0.330 4.492 4.170 -0.015 0.000 0.286 2135 I C 0.084 176.186 176.117 -0.025 0.000 1.007 2135 I CA -0.228 61.050 61.300 -0.037 0.000 1.167 2135 I CB 1.507 39.433 38.000 -0.124 0.000 1.320 2135 I HN 0.593 nan 8.210 nan 0.000 0.458 2136 S N 5.834 121.545 115.700 0.019 0.000 2.690 2136 S HA 0.441 4.902 4.470 -0.015 0.000 0.291 2136 S C 1.089 175.710 174.600 0.035 0.000 1.138 2136 S CA -0.632 57.579 58.200 0.019 0.000 1.013 2136 S CB 1.282 64.493 63.200 0.018 0.000 1.053 2136 S HN 0.683 nan 8.310 nan 0.000 0.539 2137 I N 2.325 122.921 120.570 0.043 0.000 2.567 2137 I HA -0.071 4.090 4.170 -0.015 0.000 0.257 2137 I C 1.731 177.885 176.117 0.062 0.000 1.184 2137 I CA 0.933 62.273 61.300 0.066 0.000 1.451 2137 I CB -0.210 37.836 38.000 0.076 0.000 1.089 2137 I HN 0.706 nan 8.210 nan 0.000 0.441 2138 S N 0.180 115.908 115.700 0.046 0.000 2.607 2138 S HA -0.051 4.411 4.470 -0.015 0.000 0.224 2138 S C 0.960 175.593 174.600 0.056 0.000 0.969 2138 S CA 0.513 58.738 58.200 0.043 0.000 0.927 2138 S CB -0.186 63.026 63.200 0.021 0.000 0.772 2138 S HN 0.468 nan 8.310 nan 0.000 0.533 2139 D N 1.309 121.752 120.400 0.072 0.000 2.398 2139 D HA 0.062 4.694 4.640 -0.015 0.000 0.210 2139 D C 0.361 176.765 176.300 0.173 0.000 1.094 2139 D CA -0.067 53.995 54.000 0.103 0.000 0.839 2139 D CB 0.287 41.132 40.800 0.076 0.000 0.963 2139 D HN 0.498 nan 8.370 nan 0.000 0.506 2140 R N -0.011 120.569 120.500 0.133 0.000 2.504 2140 R HA 0.309 4.640 4.340 -0.015 0.000 0.291 2140 R C 1.048 177.415 176.300 0.111 0.000 0.974 2140 R CA 0.874 57.040 56.100 0.109 0.000 1.077 2140 R CB -0.062 30.288 30.300 0.084 0.000 0.926 2140 R HN -0.037 nan 8.270 nan 0.000 0.407 2141 G N 1.749 110.552 108.800 0.005 0.000 2.179 2141 G HA2 -0.228 3.723 3.960 -0.015 0.000 0.220 2141 G HA3 -0.228 3.723 3.960 -0.015 0.000 0.220 2141 G C 0.295 174.892 174.900 -0.505 0.000 0.990 2141 G CA 0.122 45.081 45.100 -0.234 0.000 0.646 2141 G HN 0.828 nan 8.290 nan 0.000 0.517 2142 H N -1.142 117.947 119.070 0.032 0.000 3.480 2142 H HA 0.219 4.766 4.556 -0.015 0.000 0.257 2142 H C 2.086 177.436 175.328 0.037 0.000 1.196 2142 H CA 0.408 56.475 56.048 0.031 0.000 1.100 2142 H CB 0.315 30.094 29.762 0.028 0.000 1.683 2142 H HN 0.189 nan 8.280 nan 0.000 0.702 2143 V N 1.646 121.642 119.914 0.136 0.000 2.357 2143 V HA -0.382 3.730 4.120 -0.015 0.000 0.257 2143 V C 2.833 178.987 176.094 0.100 0.000 1.082 2143 V CA 2.502 64.870 62.300 0.113 0.000 1.078 2143 V CB -0.508 31.379 31.823 0.107 0.000 0.663 2143 V HN 0.248 nan 8.190 nan 0.000 0.455 2144 R N 1.719 122.263 120.500 0.072 0.000 2.103 2144 R HA -0.192 4.139 4.340 -0.015 0.000 0.234 2144 R C 2.614 178.950 176.300 0.060 0.000 1.132 2144 R CA 2.542 58.670 56.100 0.047 0.000 0.925 2144 R CB -1.339 28.975 30.300 0.022 0.000 0.842 2144 R HN 0.696 nan 8.270 nan 0.000 0.430 2145 S N 0.014 115.760 115.700 0.077 0.000 2.374 2145 S HA -0.214 4.247 4.470 -0.015 0.000 0.227 2145 S C 2.248 176.900 174.600 0.086 0.000 1.037 2145 S CA 1.658 59.903 58.200 0.076 0.000 1.024 2145 S CB -0.815 62.440 63.200 0.092 0.000 0.861 2145 S HN 0.389 nan 8.310 nan 0.000 0.456 2146 I N 1.326 121.956 120.570 0.101 0.000 2.099 2146 I HA -0.161 4.000 4.170 -0.015 0.000 0.239 2146 I C 2.491 178.688 176.117 0.133 0.000 1.066 2146 I CA 1.366 62.733 61.300 0.112 0.000 1.324 2146 I CB -0.530 37.534 38.000 0.107 0.000 1.037 2146 I HN 0.185 nan 8.210 nan 0.000 0.401 2147 V N 0.740 120.727 119.914 0.122 0.000 2.636 2147 V HA -0.324 3.787 4.120 -0.015 0.000 0.258 2147 V C 1.557 177.739 176.094 0.147 0.000 1.092 2147 V CA 1.909 64.292 62.300 0.138 0.000 1.110 2147 V CB -0.764 31.118 31.823 0.098 0.000 0.685 2147 V HN 0.461 nan 8.190 nan 0.000 0.481 2148 D N -0.822 119.640 120.400 0.102 0.000 2.349 2148 D HA -0.027 4.604 4.640 -0.015 0.000 0.215 2148 D C 1.608 177.977 176.300 0.115 0.000 1.016 2148 D CA 0.210 54.254 54.000 0.073 0.000 0.870 2148 D CB -0.062 40.756 40.800 0.030 0.000 0.917 2148 D HN 0.381 nan 8.370 nan 0.000 0.524 2149 N N 0.128 118.922 118.700 0.157 0.000 2.457 2149 N HA -0.088 4.643 4.740 -0.015 0.000 0.180 2149 N C 0.237 175.873 175.510 0.210 0.000 1.050 2149 N CA 0.100 53.242 53.050 0.153 0.000 0.906 2149 N CB 0.056 38.634 38.487 0.153 0.000 0.968 2149 N HN 0.364 nan 8.380 nan 0.000 0.445 2150 W N 3.758 125.104 121.300 0.076 0.000 2.381 2150 W HA 0.044 4.704 4.660 0.001 0.000 0.321 2150 W C -1.308 175.266 176.519 0.092 0.000 1.407 2150 W CA -1.341 56.059 57.345 0.092 0.000 1.274 2150 W CB 0.858 30.402 29.460 0.140 0.000 1.310 2150 W HN 0.110 nan 8.180 nan 0.000 0.551 2151 P HA -0.221 nan 4.420 nan 0.000 0.214 2151 P C 0.152 177.298 177.300 -0.256 0.000 1.163 2151 P CA 1.552 64.410 63.100 -0.402 0.000 0.889 2151 P CB 0.055 31.445 31.700 -0.517 0.000 0.790 2152 E N 0.595 120.554 120.200 -0.402 0.000 2.608 2152 E HA -0.050 4.292 4.350 -0.015 0.000 0.259 2152 E C 1.069 177.841 176.600 0.286 0.000 0.951 2152 E CA 0.239 56.656 56.400 0.028 0.000 0.945 2152 E CB -0.108 29.736 29.700 0.241 0.000 0.916 2152 E HN 0.113 nan 8.360 nan 0.000 0.477 2153 N N 1.363 120.200 118.700 0.228 0.000 2.178 2153 N HA -0.093 4.638 4.740 -0.015 0.000 0.189 2153 N C 0.070 175.842 175.510 0.436 0.000 1.048 2153 N CA 0.812 54.025 53.050 0.271 0.000 0.855 2153 N CB -0.268 38.300 38.487 0.135 0.000 1.028 2153 N HN 0.415 nan 8.380 nan 0.000 0.441 2154 H N 0.833 120.021 119.070 0.198 0.000 2.742 2154 H HA 0.365 4.912 4.556 -0.015 0.000 0.302 2154 H C -0.853 174.486 175.328 0.018 0.000 1.069 2154 H CA -0.245 55.892 56.048 0.147 0.000 1.446 2154 H CB 0.043 29.853 29.762 0.080 0.000 1.462 2154 H HN -0.228 nan 8.280 nan 0.000 0.499 2155 V N 6.293 126.243 119.914 0.060 0.000 2.735 2155 V HA 0.277 4.388 4.120 -0.015 0.000 0.310 2155 V C 0.397 176.348 176.094 -0.239 0.000 1.061 2155 V CA -0.628 61.464 62.300 -0.346 0.000 0.913 2155 V CB 2.159 33.322 31.823 -1.101 0.000 1.005 2155 V HN 0.764 nan 8.190 nan 0.000 0.428 2156 K N 2.043 122.304 120.400 -0.233 0.000 2.550 2156 K HA 0.430 4.742 4.320 -0.015 0.000 0.205 2156 K C 0.227 176.760 176.600 -0.111 0.000 1.429 2156 K CA 0.387 56.580 56.287 -0.156 0.000 0.997 2156 K CB 1.683 34.080 32.500 -0.173 0.000 1.328 2156 K HN 0.620 nan 8.250 nan 0.000 0.546 2157 A N 1.774 124.509 122.820 -0.142 0.000 2.318 2157 A HA 0.654 4.965 4.320 -0.015 0.000 0.324 2157 A C -0.775 176.662 177.584 -0.245 0.000 1.170 2157 A CA -0.477 51.489 52.037 -0.118 0.000 0.810 2157 A CB 1.452 20.410 19.000 -0.070 0.000 1.198 2157 A HN -0.073 nan 8.150 nan 0.000 0.484 2158 V N 3.252 123.029 119.914 -0.228 0.000 2.569 2158 V HA 0.436 4.547 4.120 -0.015 0.000 0.301 2158 V C -0.750 175.160 176.094 -0.308 0.000 1.044 2158 V CA -0.436 61.693 62.300 -0.285 0.000 0.874 2158 V CB 1.879 33.565 31.823 -0.227 0.000 1.002 2158 V HN 0.710 nan 8.190 nan 0.000 0.424 2159 V N 5.796 125.485 119.914 -0.376 0.000 2.448 2159 V HA 0.714 4.825 4.120 -0.015 0.000 0.295 2159 V C -0.331 175.539 176.094 -0.374 0.000 1.025 2159 V CA -0.658 61.417 62.300 -0.376 0.000 0.859 2159 V CB 1.844 33.420 31.823 -0.412 0.000 0.988 2159 V HN 0.717 nan 8.190 nan 0.000 0.431 2160 V N 1.408 121.090 119.914 -0.386 0.000 2.789 2160 V HA 0.979 5.090 4.120 -0.015 0.000 0.311 2160 V C -0.450 175.514 176.094 -0.217 0.000 1.073 2160 V CA -0.379 61.676 62.300 -0.408 0.000 0.921 2160 V CB 1.799 33.274 31.823 -0.581 0.000 1.009 2160 V HN 0.893 nan 8.190 nan 0.000 0.426 2161 T N 0.794 115.172 114.554 -0.292 0.000 2.868 2161 T HA 0.522 4.863 4.350 -0.015 0.000 0.306 2161 T C -1.005 173.319 174.700 -0.626 0.000 1.224 2161 T CA 0.190 62.024 62.100 -0.445 0.000 1.012 2161 T CB 2.163 70.829 68.868 -0.338 0.000 1.221 2161 T HN 1.074 nan 8.240 nan 0.000 0.499 2162 D N 0.720 120.526 120.400 -0.990 0.000 2.538 2162 D HA 0.236 4.867 4.640 -0.015 0.000 0.231 2162 D C 1.462 177.515 176.300 -0.412 0.000 1.229 2162 D CA 0.365 54.020 54.000 -0.576 0.000 0.828 2162 D CB -0.421 40.103 40.800 -0.460 0.000 1.035 2162 D HN 1.123 nan 8.370 nan 0.000 0.495 2163 G N 1.286 109.851 108.800 -0.391 0.000 2.243 2163 G HA2 -0.461 3.490 3.960 -0.015 0.000 0.276 2163 G HA3 -0.461 3.490 3.960 -0.015 0.000 0.276 2163 G C 0.882 175.664 174.900 -0.196 0.000 0.997 2163 G CA 0.954 45.908 45.100 -0.243 0.000 0.693 2163 G HN 0.491 nan 8.290 nan 0.000 0.529 2164 E N -0.596 119.465 120.200 -0.231 0.000 2.204 2164 E HA -0.057 4.284 4.350 -0.015 0.000 0.195 2164 E C 1.846 178.390 176.600 -0.093 0.000 0.990 2164 E CA 0.728 57.043 56.400 -0.142 0.000 0.821 2164 E CB 0.030 29.664 29.700 -0.109 0.000 0.750 2164 E HN 0.485 nan 8.360 nan 0.000 0.477 2165 R N 0.706 121.151 120.500 -0.092 0.000 2.701 2165 R HA 0.170 4.502 4.340 -0.015 0.000 0.281 2165 R C -0.934 175.326 176.300 -0.068 0.000 1.367 2165 R CA -0.372 55.694 56.100 -0.057 0.000 1.510 2165 R CB 0.358 30.648 30.300 -0.017 0.000 1.306 2165 R HN 0.009 nan 8.270 nan 0.000 0.682 2166 I N 4.199 124.719 120.570 -0.083 0.000 2.705 2166 I HA -0.074 4.087 4.170 -0.015 0.000 0.291 2166 I C 1.152 177.223 176.117 -0.078 0.000 1.146 2166 I CA 0.983 62.232 61.300 -0.086 0.000 1.383 2166 I CB -1.284 36.664 38.000 -0.087 0.000 1.454 2166 I HN 0.603 nan 8.210 nan 0.000 0.581 2167 L N 4.392 125.570 121.223 -0.075 0.000 7.213 2167 L HA -0.293 4.038 4.340 -0.015 0.000 0.061 2167 L C 1.527 178.358 176.870 -0.066 0.000 1.387 2167 L CA 1.147 55.941 54.840 -0.075 0.000 1.628 2167 L CB -1.324 40.675 42.059 -0.100 0.000 2.745 2167 L HN 0.629 nan 8.230 nan 0.000 1.105 2168 G N -0.597 108.162 108.800 -0.068 0.000 3.279 2168 G HA2 0.337 4.288 3.960 -0.015 0.000 0.230 2168 G HA3 0.337 4.288 3.960 -0.015 0.000 0.230 2168 G C 0.670 175.535 174.900 -0.058 0.000 1.230 2168 G CA 0.077 45.141 45.100 -0.060 0.000 0.891 2168 G HN 0.234 nan 8.290 nan 0.000 0.518 2169 L N -0.126 121.061 121.223 -0.061 0.000 2.640 2169 L HA 0.366 4.698 4.340 -0.015 0.000 0.230 2169 L C 1.809 178.647 176.870 -0.053 0.000 1.123 2169 L CA 0.615 55.420 54.840 -0.057 0.000 0.900 2169 L CB -0.431 41.591 42.059 -0.061 0.000 1.146 2169 L HN 0.333 nan 8.230 nan 0.000 0.484 2170 G N -0.334 108.434 108.800 -0.053 0.000 2.575 2170 G HA2 -0.332 3.619 3.960 -0.015 0.000 0.267 2170 G HA3 -0.332 3.619 3.960 -0.015 0.000 0.267 2170 G C -0.112 174.752 174.900 -0.061 0.000 1.264 2170 G CA -0.083 44.985 45.100 -0.052 0.000 0.935 2170 G HN 0.219 nan 8.290 nan 0.000 0.568 2171 D N 0.521 120.881 120.400 -0.066 0.000 2.493 2171 D HA 0.255 4.886 4.640 -0.015 0.000 0.240 2171 D C 1.215 177.465 176.300 -0.082 0.000 1.142 2171 D CA 0.403 54.353 54.000 -0.083 0.000 0.872 2171 D CB 0.485 41.230 40.800 -0.093 0.000 1.173 2171 D HN 0.367 nan 8.370 nan 0.000 0.467 2172 L N 2.767 123.943 121.223 -0.078 0.000 3.521 2172 L HA 0.193 4.524 4.340 -0.015 0.000 0.323 2172 L C 1.402 178.248 176.870 -0.039 0.000 1.268 2172 L CA 0.114 54.935 54.840 -0.032 0.000 1.064 2172 L CB 0.101 42.171 42.059 0.018 0.000 1.455 2172 L HN 0.676 nan 8.230 nan 0.000 0.622 2173 G N 1.454 110.205 108.800 -0.082 0.000 2.578 2173 G HA2 -0.427 3.525 3.960 -0.015 0.000 0.313 2173 G HA3 -0.427 3.525 3.960 -0.015 0.000 0.313 2173 G C 0.977 175.904 174.900 0.044 0.000 1.324 2173 G CA 0.896 45.989 45.100 -0.012 0.000 0.955 2173 G HN 0.363 nan 8.290 nan 0.000 0.541 2174 V N -1.041 118.947 119.914 0.125 0.000 3.330 2174 V HA -0.025 4.086 4.120 -0.015 0.000 0.273 2174 V C 2.043 178.255 176.094 0.197 0.000 1.179 2174 V CA 2.503 64.866 62.300 0.105 0.000 1.174 2174 V CB -1.014 30.844 31.823 0.058 0.000 0.794 2174 V HN 0.685 nan 8.190 nan 0.000 0.527 2175 Y N 1.306 121.682 120.300 0.128 0.000 2.497 2175 Y HA 0.145 4.686 4.550 -0.015 0.000 0.292 2175 Y C 2.069 177.773 175.900 -0.327 0.000 1.137 2175 Y CA -0.191 57.921 58.100 0.020 0.000 1.285 2175 Y CB -0.086 38.437 38.460 0.105 0.000 0.991 2175 Y HN 0.531 nan 8.280 nan 0.000 0.556 2179 I N 2.080 122.611 120.570 -0.066 0.000 2.072 2179 I HA -0.021 4.141 4.170 -0.015 0.000 0.235 2179 I C -0.081 176.045 176.117 0.016 0.000 1.058 2179 I CA 1.523 62.840 61.300 0.028 0.000 1.320 2179 I CB -1.810 36.167 38.000 -0.038 0.000 1.047 2179 I HN -0.011 nan 8.210 nan 0.000 0.397 2180 P HA -0.165 nan 4.420 nan 0.000 0.219 2180 P C 2.164 179.383 177.300 -0.136 0.000 1.158 2180 P CA 1.531 64.525 63.100 -0.177 0.000 0.895 2180 P CB -0.164 31.383 31.700 -0.256 0.000 0.792 2181 V N -0.382 119.490 119.914 -0.070 0.000 2.324 2181 V HA -0.245 3.867 4.120 -0.015 0.000 0.250 2181 V C 2.577 178.686 176.094 0.024 0.000 1.060 2181 V CA 2.524 64.810 62.300 -0.023 0.000 1.042 2181 V CB -1.956 29.900 31.823 0.054 0.000 0.650 2181 V HN 0.219 nan 8.190 nan 0.000 0.450 2182 G N -0.594 108.277 108.800 0.118 0.000 2.434 2182 G HA2 -0.276 3.675 3.960 -0.015 0.000 0.214 2182 G HA3 -0.276 3.675 3.960 -0.015 0.000 0.214 2182 G C 1.611 176.513 174.900 0.002 0.000 1.202 2182 G CA 1.055 46.289 45.100 0.222 0.000 0.788 2182 G HN 0.435 nan 8.290 nan 0.000 0.539 2183 K N -0.500 119.803 120.400 -0.161 0.000 2.020 2183 K HA -0.035 4.276 4.320 -0.015 0.000 0.212 2183 K C 2.447 179.075 176.600 0.047 0.000 1.050 2183 K CA 0.857 57.012 56.287 -0.220 0.000 0.929 2183 K CB -0.466 31.854 32.500 -0.300 0.000 0.714 2183 K HN 0.132 nan 8.250 nan 0.000 0.443 2184 L N 0.765 121.887 121.223 -0.167 0.000 2.197 2184 L HA -0.285 4.046 4.340 -0.015 0.000 0.215 2184 L C 2.277 179.198 176.870 0.086 0.000 1.095 2184 L CA 1.495 56.196 54.840 -0.232 0.000 0.764 2184 L CB -1.262 40.630 42.059 -0.279 0.000 0.897 2184 L HN 0.405 nan 8.230 nan 0.000 0.436 2185 C N -1.128 118.266 119.300 0.157 0.000 2.446 2185 C HA -0.132 4.320 4.460 -0.015 0.000 0.277 2185 C C 2.794 177.978 174.990 0.323 0.000 1.275 2185 C CA 0.226 59.455 59.018 0.351 0.000 1.727 2185 C CB -0.726 27.207 27.740 0.322 0.000 2.010 2185 C HN 0.452 nan 8.230 nan 0.000 0.486 2186 L N -1.076 120.292 121.223 0.241 0.000 2.056 2186 L HA -0.126 4.205 4.340 -0.015 0.000 0.207 2186 L C 2.469 179.450 176.870 0.186 0.000 1.078 2186 L CA 1.470 56.420 54.840 0.184 0.000 0.749 2186 L CB -0.893 41.268 42.059 0.170 0.000 0.901 2186 L HN 0.247 nan 8.230 nan 0.000 0.433 2187 Y N 0.970 121.330 120.300 0.100 0.000 2.029 2187 Y HA -0.387 4.155 4.550 -0.014 0.000 0.269 2187 Y C 2.906 178.782 175.900 -0.040 0.000 1.201 2187 Y CA 2.272 60.408 58.100 0.060 0.000 1.115 2187 Y CB -1.273 37.216 38.460 0.049 0.000 0.945 2187 Y HN 0.190 nan 8.280 nan 0.000 0.497 2188 T N -0.496 114.109 114.554 0.085 0.000 2.770 2188 T HA -0.115 4.226 4.350 -0.015 0.000 0.263 2188 T C 2.184 176.810 174.700 -0.124 0.000 1.039 2188 T CA 1.218 63.234 62.100 -0.139 0.000 1.142 2188 T CB -0.811 67.730 68.868 -0.545 0.000 0.868 2188 T HN 0.424 nan 8.240 nan 0.000 0.435 2189 A N 0.798 123.588 122.820 -0.051 0.000 1.940 2189 A HA -0.139 4.173 4.320 -0.015 0.000 0.219 2189 A C 2.388 179.964 177.584 -0.013 0.000 1.176 2189 A CA 1.816 53.862 52.037 0.015 0.000 0.631 2189 A CB -1.002 18.068 19.000 0.118 0.000 0.814 2189 A HN 0.707 nan 8.150 nan 0.000 0.446 2190 C N -2.881 116.393 119.300 -0.044 0.000 3.228 2190 C HA 0.686 5.137 4.460 -0.015 0.000 0.290 2190 C C 2.393 177.328 174.990 -0.092 0.000 1.301 2190 C CA -0.182 58.791 59.018 -0.075 0.000 1.703 2190 C CB -0.309 27.358 27.740 -0.121 0.000 2.141 2190 C HN 0.679 nan 8.230 nan 0.000 0.656 2191 A N 0.320 123.086 122.820 -0.091 0.000 2.070 2191 A HA 0.562 4.873 4.320 -0.015 0.000 0.202 2191 A C 1.792 179.347 177.584 -0.050 0.000 1.277 2191 A CA 1.208 53.189 52.037 -0.095 0.000 0.872 2191 A CB -0.464 18.450 19.000 -0.143 0.000 0.933 2191 A HN 1.241 nan 8.150 nan 0.000 0.475 2192 G N -0.598 108.193 108.800 -0.015 0.000 2.163 2192 G HA2 -0.157 3.794 3.960 -0.015 0.000 0.213 2192 G HA3 -0.157 3.794 3.960 -0.015 0.000 0.213 2192 G C 0.136 175.076 174.900 0.067 0.000 0.991 2192 G CA 0.034 45.163 45.100 0.050 0.000 0.653 2192 G HN 0.406 nan 8.290 nan 0.000 0.518 2193 I N 1.362 121.934 120.570 0.003 0.000 2.692 2193 I HA 0.127 4.288 4.170 -0.015 0.000 0.284 2193 I C 1.374 177.418 176.117 -0.120 0.000 1.159 2193 I CA -0.415 60.872 61.300 -0.021 0.000 1.423 2193 I CB 0.410 38.433 38.000 0.038 0.000 1.380 2193 I HN 0.029 nan 8.210 nan 0.000 0.580 2194 R N 6.882 127.281 120.500 -0.168 0.000 2.484 2194 R HA 0.039 4.370 4.340 -0.015 0.000 0.293 2194 R C -1.607 174.403 176.300 -0.483 0.000 1.023 2194 R CA -1.110 54.747 56.100 -0.406 0.000 1.037 2194 R CB 0.506 30.660 30.300 -0.244 0.000 0.951 2194 R HN 0.346 nan 8.270 nan 0.000 0.418 2195 P HA -0.132 nan 4.420 nan 0.000 0.218 2195 P C 0.203 177.357 177.300 -0.244 0.000 1.148 2195 P CA 1.141 63.965 63.100 -0.460 0.000 0.822 2195 P CB 0.299 31.694 31.700 -0.509 0.000 0.784 2196 D N -0.587 119.666 120.400 -0.246 0.000 2.097 2196 D HA -0.106 4.525 4.640 -0.015 0.000 0.197 2196 D C 1.781 178.051 176.300 -0.051 0.000 0.984 2196 D CA 0.972 54.920 54.000 -0.087 0.000 0.826 2196 D CB -0.817 39.949 40.800 -0.055 0.000 0.973 2196 D HN -0.004 nan 8.370 nan 0.000 0.460 2197 R N -0.035 120.393 120.500 -0.120 0.000 2.377 2197 R HA 0.027 4.358 4.340 -0.015 0.000 0.207 2197 R C 0.249 176.448 176.300 -0.169 0.000 1.075 2197 R CA -0.025 55.990 56.100 -0.142 0.000 1.035 2197 R CB -0.875 29.311 30.300 -0.189 0.000 0.857 2197 R HN 0.258 nan 8.270 nan 0.000 0.475 2198 C N -1.046 118.162 119.300 -0.153 0.000 2.328 2198 C HA 0.748 5.200 4.460 -0.015 0.000 0.378 2198 C C -0.119 174.728 174.990 -0.239 0.000 1.249 2198 C CA -1.236 57.656 59.018 -0.211 0.000 2.204 2198 C CB 0.910 28.521 27.740 -0.214 0.000 2.218 2198 C HN 0.387 nan 8.230 nan 0.000 0.564 2199 L N 2.380 123.389 121.223 -0.356 0.000 2.973 2199 L HA 0.426 4.757 4.340 -0.015 0.000 0.254 2199 L C -2.831 173.741 176.870 -0.497 0.000 0.947 2199 L CA -0.739 53.799 54.840 -0.505 0.000 1.064 2199 L CB 1.688 43.325 42.059 -0.703 0.000 1.534 2199 L HN 0.493 nan 8.230 nan 0.000 0.504 2200 P HA 0.434 nan 4.420 nan 0.000 0.284 2200 P C -1.284 175.710 177.300 -0.511 0.000 1.253 2200 P CA -0.250 62.598 63.100 -0.420 0.000 0.800 2200 P CB 2.193 33.704 31.700 -0.315 0.000 0.961 2201 V N 2.533 122.148 119.914 -0.498 0.000 2.971 2201 V HA 0.407 4.519 4.120 -0.015 0.000 0.309 2201 V C -0.497 175.262 176.094 -0.558 0.000 1.130 2201 V CA -0.460 61.494 62.300 -0.577 0.000 0.964 2201 V CB 2.655 34.144 31.823 -0.556 0.000 1.029 2201 V HN 0.784 nan 8.190 nan 0.000 0.427 2202 C N 5.629 124.563 119.300 -0.610 0.000 2.547 2202 C HA 0.706 5.157 4.460 -0.015 0.000 0.313 2202 C C -0.948 173.814 174.990 -0.379 0.000 1.191 2202 C CA -0.477 58.265 59.018 -0.459 0.000 1.474 2202 C CB 0.632 28.143 27.740 -0.383 0.000 2.081 2202 C HN 0.730 nan 8.230 nan 0.000 0.476 2203 I N 4.653 125.032 120.570 -0.318 0.000 2.377 2203 I HA 0.359 4.520 4.170 -0.015 0.000 0.293 2203 I C -0.308 175.737 176.117 -0.120 0.000 0.987 2203 I CA 0.284 61.447 61.300 -0.229 0.000 1.185 2203 I CB 1.532 39.400 38.000 -0.221 0.000 1.341 2203 I HN 0.657 nan 8.210 nan 0.000 0.455 2204 D N 6.125 126.491 120.400 -0.057 0.000 2.381 2204 D HA 0.367 4.998 4.640 -0.015 0.000 0.235 2204 D C 0.260 176.560 176.300 -0.000 0.000 1.068 2204 D CA -0.282 53.701 54.000 -0.028 0.000 0.832 2204 D CB 1.750 42.535 40.800 -0.024 0.000 1.101 2204 D HN 0.308 nan 8.370 nan 0.000 0.515 2205 V N 1.479 121.391 119.914 -0.003 0.000 3.253 2205 V HA 0.649 4.761 4.120 -0.015 0.000 0.320 2205 V C 0.967 177.046 176.094 -0.026 0.000 1.442 2205 V CA 0.157 62.462 62.300 0.009 0.000 1.097 2205 V CB -0.197 31.628 31.823 0.003 0.000 1.008 2205 V HN 0.745 nan 8.190 nan 0.000 0.463 2206 G N -0.047 108.741 108.800 -0.020 0.000 2.526 2206 G HA2 0.179 4.131 3.960 -0.015 0.000 0.250 2206 G HA3 0.179 4.131 3.960 -0.015 0.000 0.250 2206 G C -0.434 174.447 174.900 -0.031 0.000 1.289 2206 G CA 0.145 45.238 45.100 -0.011 0.000 0.947 2206 G HN 0.877 nan 8.290 nan 0.000 0.517 2207 T N -2.235 112.292 114.554 -0.045 0.000 2.731 2207 T HA 0.636 4.977 4.350 -0.015 0.000 0.300 2207 T C -0.719 173.925 174.700 -0.094 0.000 1.283 2207 T CA 0.633 62.679 62.100 -0.090 0.000 1.005 2207 T CB 1.751 70.531 68.868 -0.148 0.000 1.420 2207 T HN 0.504 nan 8.240 nan 0.000 0.503 2208 D N 0.397 120.732 120.400 -0.109 0.000 2.502 2208 D HA 0.227 4.858 4.640 -0.015 0.000 0.232 2208 D C -0.068 176.174 176.300 -0.097 0.000 1.137 2208 D CA -0.148 53.799 54.000 -0.089 0.000 0.827 2208 D CB 0.248 41.002 40.800 -0.076 0.000 1.141 2208 D HN 0.342 nan 8.370 nan 0.000 0.517 2209 N N 2.074 120.694 118.700 -0.133 0.000 2.406 2209 N HA -0.022 4.709 4.740 -0.015 0.000 0.265 2209 N C 1.083 176.508 175.510 -0.142 0.000 1.203 2209 N CA 0.000 52.970 53.050 -0.134 0.000 0.945 2209 N CB 0.294 38.682 38.487 -0.166 0.000 1.165 2209 N HN -0.117 nan 8.380 nan 0.000 0.485 2210 I N 2.942 123.458 120.570 -0.090 0.000 2.163 2210 I HA -0.247 3.915 4.170 -0.015 0.000 0.243 2210 I C 2.189 178.262 176.117 -0.073 0.000 1.085 2210 I CA 1.041 62.300 61.300 -0.069 0.000 1.347 2210 I CB -1.885 36.092 38.000 -0.038 0.000 1.044 2210 I HN 0.611 nan 8.210 nan 0.000 0.408 2211 A N 0.478 123.260 122.820 -0.063 0.000 2.042 2211 A HA -0.196 4.115 4.320 -0.015 0.000 0.222 2211 A C 2.438 179.977 177.584 -0.076 0.000 1.167 2211 A CA 1.493 53.506 52.037 -0.040 0.000 0.649 2211 A CB -0.755 18.229 19.000 -0.026 0.000 0.809 2211 A HN 0.434 nan 8.150 nan 0.000 0.457 2212 L N -1.339 119.768 121.223 -0.194 0.000 2.209 2212 L HA 0.011 4.342 4.340 -0.015 0.000 0.207 2212 L C 1.999 178.582 176.870 -0.477 0.000 1.094 2212 L CA 0.728 55.306 54.840 -0.437 0.000 0.790 2212 L CB -0.267 41.378 42.059 -0.691 0.000 0.932 2212 L HN 0.381 nan 8.230 nan 0.000 0.447 2213 L N -0.274 120.786 121.223 -0.271 0.000 2.622 2213 L HA -0.127 4.205 4.340 -0.015 0.000 0.233 2213 L C 1.105 178.031 176.870 0.093 0.000 1.156 2213 L CA 0.980 55.752 54.840 -0.114 0.000 0.866 2213 L CB -0.186 41.843 42.059 -0.049 0.000 0.980 2213 L HN 0.185 nan 8.230 nan 0.000 0.448 2214 K N -1.961 118.474 120.400 0.058 0.000 2.536 2214 K HA 0.195 4.506 4.320 -0.015 0.000 0.203 2214 K C -0.303 176.376 176.600 0.132 0.000 1.063 2214 K CA -0.213 56.143 56.287 0.116 0.000 1.063 2214 K CB 0.548 33.083 32.500 0.058 0.000 0.843 2214 K HN -0.140 nan 8.250 nan 0.000 0.521 2215 D N 2.218 122.712 120.400 0.156 0.000 2.373 2215 D HA 0.132 4.763 4.640 -0.015 0.000 0.227 2215 D C -1.609 174.824 176.300 0.223 0.000 1.091 2215 D CA -2.335 51.783 54.000 0.198 0.000 0.840 2215 D CB 1.590 42.538 40.800 0.246 0.000 1.060 2215 D HN -0.084 nan 8.370 nan 0.000 0.502 2216 P HA -0.096 nan 4.420 nan 0.000 0.226 2216 P C 0.796 177.933 177.300 -0.273 0.000 1.146 2216 P CA 0.627 63.613 63.100 -0.190 0.000 0.773 2216 P CB -0.010 31.406 31.700 -0.473 0.000 0.772 2217 F N -2.550 117.476 119.950 0.126 0.000 2.727 2217 F HA 0.197 4.715 4.527 -0.015 0.000 0.302 2217 F C 1.626 177.585 175.800 0.265 0.000 1.097 2217 F CA -0.999 57.050 58.000 0.083 0.000 1.330 2217 F CB -0.844 38.061 39.000 -0.159 0.000 1.084 2217 F HN -0.117 nan 8.300 nan 0.000 0.578 2221 L N 0.813 121.898 121.223 -0.229 0.000 2.534 2221 L HA 0.218 4.549 4.340 -0.015 0.000 0.271 2221 L C -0.176 176.717 176.870 0.038 0.000 1.178 2221 L CA -0.348 54.473 54.840 -0.033 0.000 0.907 2221 L CB -0.630 41.424 42.059 -0.008 0.000 1.164 2221 L HN 0.403 nan 8.230 nan 0.000 0.482 2222 Y N 4.559 124.857 120.300 -0.003 0.000 2.620 2222 Y HA 0.359 4.900 4.550 -0.015 0.000 0.352 2222 Y C 0.748 176.667 175.900 0.032 0.000 1.140 2222 Y CA 0.133 58.273 58.100 0.066 0.000 1.529 2222 Y CB -0.167 38.315 38.460 0.037 0.000 1.321 2222 Y HN 0.608 nan 8.280 nan 0.000 0.501 2223 Q N 1.587 121.454 119.800 0.111 0.000 2.736 2223 Q HA 0.263 4.594 4.340 -0.015 0.000 0.273 2223 Q C -1.649 174.360 176.000 0.016 0.000 0.948 2223 Q CA -1.156 54.684 55.803 0.061 0.000 0.854 2223 Q CB 1.210 29.980 28.738 0.053 0.000 1.569 2223 Q HN 0.280 nan 8.270 nan 0.000 0.405 2224 K N 1.832 122.232 120.400 -0.000 0.000 2.380 2224 K HA 0.199 4.510 4.320 -0.015 0.000 0.267 2224 K C 0.110 176.687 176.600 -0.039 0.000 0.990 2224 K CA 0.127 56.398 56.287 -0.027 0.000 0.946 2224 K CB 0.389 32.874 32.500 -0.025 0.000 0.937 2224 K HN 0.543 nan 8.250 nan 0.000 0.491 2225 R N 0.873 121.332 120.500 -0.067 0.000 2.919 2225 R HA -0.069 4.263 4.340 -0.015 0.000 0.271 2225 R C -0.239 176.003 176.300 -0.097 0.000 0.995 2225 R CA 0.978 57.017 56.100 -0.103 0.000 1.158 2225 R CB 0.294 30.508 30.300 -0.144 0.000 1.071 2225 R HN 0.578 nan 8.270 nan 0.000 0.476 2226 D N 0.565 120.881 120.400 -0.141 0.000 2.471 2226 D HA 0.206 4.837 4.640 -0.015 0.000 0.245 2226 D C -0.570 175.623 176.300 -0.178 0.000 1.116 2226 D CA -0.388 53.557 54.000 -0.091 0.000 0.853 2226 D CB 0.927 41.722 40.800 -0.008 0.000 1.123 2226 D HN 0.384 nan 8.370 nan 0.000 0.540 2227 R N 1.567 122.004 120.500 -0.104 0.000 2.586 2227 R HA 0.161 4.493 4.340 -0.015 0.000 0.336 2227 R C 0.936 177.259 176.300 0.039 0.000 1.060 2227 R CA -0.287 55.763 56.100 -0.084 0.000 1.079 2227 R CB 0.915 31.157 30.300 -0.097 0.000 1.317 2227 R HN 0.428 nan 8.270 nan 0.000 0.568 2228 T N -2.657 111.941 114.554 0.074 0.000 2.814 2228 T HA 0.006 4.347 4.350 -0.015 0.000 0.284 2228 T C 1.309 176.099 174.700 0.150 0.000 0.998 2228 T CA -0.500 61.654 62.100 0.090 0.000 0.935 2228 T CB 1.164 70.075 68.868 0.071 0.000 1.167 2228 T HN 0.003 nan 8.240 nan 0.000 0.545 2229 Q N -0.156 119.714 119.800 0.116 0.000 2.226 2229 Q HA -0.111 4.220 4.340 -0.015 0.000 0.204 2229 Q C 2.380 178.467 176.000 0.146 0.000 0.975 2229 Q CA 1.784 57.660 55.803 0.123 0.000 0.866 2229 Q CB -0.655 28.134 28.738 0.086 0.000 0.915 2229 Q HN 0.811 nan 8.270 nan 0.000 0.440 2230 Q N -1.350 118.535 119.800 0.141 0.000 2.112 2230 Q HA -0.248 4.084 4.340 -0.015 0.000 0.206 2230 Q C 1.521 177.642 176.000 0.201 0.000 0.987 2230 Q CA 1.770 57.659 55.803 0.143 0.000 0.858 2230 Q CB -0.354 28.460 28.738 0.126 0.000 0.905 2230 Q HN 0.515 nan 8.270 nan 0.000 0.420 2231 Y N 2.063 122.423 120.300 0.100 0.000 1.993 2231 Y HA -0.334 4.207 4.550 -0.015 0.000 0.267 2231 Y C 1.581 177.600 175.900 0.198 0.000 1.155 2231 Y CA 2.255 60.438 58.100 0.137 0.000 1.105 2231 Y CB -0.677 37.874 38.460 0.151 0.000 0.960 2231 Y HN 0.228 nan 8.280 nan 0.000 0.486 2232 D N -0.000 120.435 120.400 0.058 0.000 2.103 2232 D HA -0.204 4.428 4.640 -0.015 0.000 0.190 2232 D C 1.702 178.050 176.300 0.081 0.000 0.997 2232 D CA 1.822 55.871 54.000 0.081 0.000 0.833 2232 D CB -0.810 40.113 40.800 0.205 0.000 0.961 2232 D HN 0.377 nan 8.370 nan 0.000 0.447 2233 D N 0.024 120.487 120.400 0.105 0.000 2.170 2233 D HA -0.177 4.454 4.640 -0.015 0.000 0.193 2233 D C 1.946 178.285 176.300 0.064 0.000 1.004 2233 D CA 0.555 54.611 54.000 0.093 0.000 0.860 2233 D CB -0.463 40.388 40.800 0.086 0.000 0.931 2233 D HN 0.086 nan 8.370 nan 0.000 0.448 2234 L N 0.934 122.185 121.223 0.047 0.000 2.012 2234 L HA -0.149 4.182 4.340 -0.015 0.000 0.210 2234 L C 2.003 178.874 176.870 0.001 0.000 1.073 2234 L CA 1.514 56.373 54.840 0.033 0.000 0.748 2234 L CB -0.833 41.256 42.059 0.050 0.000 0.891 2234 L HN 0.027 nan 8.230 nan 0.000 0.431 2235 I N -0.537 119.981 120.570 -0.088 0.000 2.163 2235 I HA -0.283 3.879 4.170 -0.015 0.000 0.243 2235 I C 2.311 178.400 176.117 -0.047 0.000 1.085 2235 I CA 1.372 62.599 61.300 -0.121 0.000 1.347 2235 I CB -1.825 35.961 38.000 -0.357 0.000 1.044 2235 I HN 0.285 nan 8.210 nan 0.000 0.408 2236 D N 1.046 121.461 120.400 0.025 0.000 2.103 2236 D HA -0.267 4.364 4.640 -0.015 0.000 0.190 2236 D C 2.095 178.389 176.300 -0.010 0.000 0.997 2236 D CA 1.867 55.900 54.000 0.054 0.000 0.833 2236 D CB -0.220 40.679 40.800 0.164 0.000 0.961 2236 D HN 0.511 nan 8.370 nan 0.000 0.447 2237 E N -0.326 119.891 120.200 0.028 0.000 2.130 2237 E HA -0.193 4.148 4.350 -0.015 0.000 0.196 2237 E C 1.042 177.643 176.600 0.002 0.000 0.998 2237 E CA 0.416 56.829 56.400 0.021 0.000 0.806 2237 E CB -0.139 29.585 29.700 0.041 0.000 0.738 2237 E HN 0.179 nan 8.360 nan 0.000 0.459 2241 A N 1.966 124.688 122.820 -0.163 0.000 1.917 2241 A HA -0.134 4.177 4.320 -0.015 0.000 0.219 2241 A C 1.854 179.355 177.584 -0.138 0.000 1.182 2241 A CA 1.773 53.743 52.037 -0.113 0.000 0.633 2241 A CB -0.503 18.463 19.000 -0.056 0.000 0.819 2241 A HN 0.317 nan 8.150 nan 0.000 0.448 2242 I N 0.647 121.046 120.570 -0.286 0.000 2.202 2242 I HA -0.174 3.987 4.170 -0.015 0.000 0.242 2242 I C 2.780 178.854 176.117 -0.071 0.000 1.091 2242 I CA 2.180 63.354 61.300 -0.210 0.000 1.368 2242 I CB -2.004 35.655 38.000 -0.568 0.000 1.058 2242 I HN 0.512 nan 8.210 nan 0.000 0.410 2243 T N -0.750 113.724 114.554 -0.133 0.000 2.674 2243 T HA -0.175 4.166 4.350 -0.015 0.000 0.265 2243 T C 1.666 176.374 174.700 0.015 0.000 1.039 2243 T CA 1.452 63.551 62.100 -0.002 0.000 1.150 2243 T CB -0.645 68.278 68.868 0.091 0.000 0.864 2243 T HN 0.113 nan 8.240 nan 0.000 0.427 2244 D N 1.266 121.657 120.400 -0.016 0.000 2.133 2244 D HA -0.129 4.502 4.640 -0.015 0.000 0.192 2244 D C 2.305 178.570 176.300 -0.059 0.000 1.001 2244 D CA 1.437 55.423 54.000 -0.024 0.000 0.844 2244 D CB -0.270 40.510 40.800 -0.034 0.000 0.944 2244 D HN 0.410 nan 8.370 nan 0.000 0.447 2245 R N -1.027 119.407 120.500 -0.111 0.000 2.090 2245 R HA -0.041 4.290 4.340 -0.015 0.000 0.228 2245 R C 1.197 177.274 176.300 -0.371 0.000 1.110 2245 R CA 1.311 57.243 56.100 -0.281 0.000 0.973 2245 R CB -0.241 29.817 30.300 -0.403 0.000 0.869 2245 R HN 0.312 nan 8.270 nan 0.000 0.440 2246 Y N -1.017 119.283 120.300 -0.001 0.000 2.527 2246 Y HA 0.454 4.994 4.550 -0.017 0.000 0.247 2246 Y C 0.312 176.235 175.900 0.039 0.000 1.138 2246 Y CA 0.033 58.150 58.100 0.028 0.000 1.228 2246 Y CB 1.706 40.183 38.460 0.028 0.000 1.252 2246 Y HN 0.315 nan 8.280 nan 0.000 0.531 2247 G N 0.273 109.157 108.800 0.140 0.000 2.484 2247 G HA2 -0.128 3.823 3.960 -0.015 0.000 0.685 2247 G HA3 -0.128 3.823 3.960 -0.015 0.000 0.685 2247 G C -0.372 174.584 174.900 0.093 0.000 1.294 2247 G CA -0.981 44.185 45.100 0.111 0.000 0.879 2247 G HN 0.025 nan 8.290 nan 0.000 0.646 2248 R N 0.515 121.063 120.500 0.080 0.000 2.246 2248 R HA 0.082 4.414 4.340 -0.015 0.000 0.199 2248 R C 2.384 178.715 176.300 0.053 0.000 0.984 2248 R CA 1.285 57.431 56.100 0.076 0.000 1.015 2248 R CB -0.089 30.245 30.300 0.057 0.000 0.930 2248 R HN 0.636 nan 8.270 nan 0.000 0.475 2249 N N -0.880 117.846 118.700 0.043 0.000 2.467 2249 N HA -0.051 4.680 4.740 -0.015 0.000 0.184 2249 N C -0.181 175.338 175.510 0.015 0.000 1.106 2249 N CA 0.370 53.425 53.050 0.008 0.000 0.892 2249 N CB -0.248 38.244 38.487 0.008 0.000 0.969 2249 N HN -0.181 nan 8.380 nan 0.000 0.454 2250 T N 2.047 116.621 114.554 0.034 0.000 2.866 2250 T HA -0.002 4.339 4.350 -0.015 0.000 0.293 2250 T C -0.069 174.629 174.700 -0.004 0.000 1.005 2250 T CA -0.257 61.849 62.100 0.010 0.000 1.162 2250 T CB -0.070 68.805 68.868 0.013 0.000 0.968 2250 T HN 0.202 nan 8.240 nan 0.000 0.530 2251 L N 7.227 128.452 121.223 0.004 0.000 2.418 2251 L HA 0.405 4.736 4.340 -0.015 0.000 0.274 2251 L C -0.417 176.467 176.870 0.022 0.000 1.135 2251 L CA 0.457 55.336 54.840 0.064 0.000 0.870 2251 L CB -0.045 42.092 42.059 0.129 0.000 1.154 2251 L HN 0.575 nan 8.230 nan 0.000 0.462 2252 I N 5.817 126.416 120.570 0.047 0.000 2.495 2252 I HA 0.243 4.405 4.170 -0.015 0.000 0.277 2252 I C -0.305 175.786 176.117 -0.044 0.000 1.045 2252 I CA -0.399 60.864 61.300 -0.061 0.000 1.135 2252 I CB 1.123 39.036 38.000 -0.145 0.000 1.241 2252 I HN 0.586 nan 8.210 nan 0.000 0.469 2253 Q N 5.420 125.120 119.800 -0.168 0.000 2.314 2253 Q HA 0.362 4.693 4.340 -0.015 0.000 0.257 2253 Q C -1.199 174.602 176.000 -0.331 0.000 0.975 2253 Q CA -0.535 55.035 55.803 -0.388 0.000 0.933 2253 Q CB 1.137 29.587 28.738 -0.479 0.000 1.195 2253 Q HN 0.394 nan 8.270 nan 0.000 0.426 2254 F N 2.786 122.541 119.950 -0.326 0.000 2.427 2254 F HA 0.233 4.753 4.527 -0.013 0.000 0.352 2254 F C 0.822 176.535 175.800 -0.144 0.000 1.100 2254 F CA 0.317 58.195 58.000 -0.204 0.000 1.191 2254 F CB 0.936 39.755 39.000 -0.302 0.000 1.128 2254 F HN 0.393 nan 8.300 nan 0.000 0.533 2255 E N 1.579 121.886 120.200 0.179 0.000 2.393 2255 E HA 0.149 4.491 4.350 -0.015 0.000 0.273 2255 E C -1.256 175.462 176.600 0.197 0.000 0.918 2255 E CA -0.732 55.723 56.400 0.091 0.000 0.773 2255 E CB 1.898 31.549 29.700 -0.081 0.000 1.275 2255 E HN 0.445 nan 8.360 nan 0.000 0.451 2256 D N 1.342 121.786 120.400 0.074 0.000 3.163 2256 D HA -0.233 4.399 4.640 -0.015 0.000 0.207 2256 D C -0.785 175.514 176.300 -0.002 0.000 1.209 2256 D CA 1.288 55.294 54.000 0.010 0.000 0.905 2256 D CB -0.811 39.938 40.800 -0.084 0.000 0.832 2256 D HN 0.216 nan 8.370 nan 0.000 0.387 2257 F N -0.651 119.306 119.950 0.011 0.000 2.764 2257 F HA 0.552 5.070 4.527 -0.015 0.000 0.347 2257 F C 1.316 177.151 175.800 0.059 0.000 1.151 2257 F CA -0.642 57.402 58.000 0.073 0.000 1.021 2257 F CB 1.229 40.325 39.000 0.160 0.000 1.438 2257 F HN 0.014 nan 8.300 nan 0.000 0.516 2258 G N 1.851 110.868 108.800 0.361 0.000 2.977 2258 G HA2 0.208 4.159 3.960 -0.015 0.000 0.306 2258 G HA3 0.208 4.159 3.960 -0.015 0.000 0.306 2258 G C 0.219 175.252 174.900 0.221 0.000 0.885 2258 G CA -0.174 45.053 45.100 0.211 0.000 1.649 2258 G HN 0.702 nan 8.290 nan 0.000 0.514 2259 N N 1.455 120.261 118.700 0.177 0.000 1.322 2259 N HA -0.482 4.250 4.740 -0.015 0.000 0.142 2259 N C 1.615 177.286 175.510 0.268 0.000 0.291 2259 N CA 2.303 55.483 53.050 0.216 0.000 1.149 2259 N CB -0.896 37.721 38.487 0.216 0.000 1.454 2259 N HN 0.559 nan 8.380 nan 0.000 0.427 2260 H N 2.524 121.648 119.070 0.089 0.000 2.322 2260 H HA -0.206 4.341 4.556 -0.015 0.000 0.282 2260 H C 1.715 177.022 175.328 -0.035 0.000 1.130 2260 H CA 2.803 58.849 56.048 -0.004 0.000 1.160 2260 H CB -0.807 28.945 29.762 -0.017 0.000 1.352 2260 H HN 0.533 nan 8.280 nan 0.000 0.469 2261 N N 0.127 118.994 118.700 0.279 0.000 2.109 2261 N HA -0.053 4.678 4.740 -0.015 0.000 0.188 2261 N C 2.175 177.746 175.510 0.101 0.000 1.034 2261 N CA 0.884 53.992 53.050 0.098 0.000 0.846 2261 N CB -0.288 38.488 38.487 0.483 0.000 1.010 2261 N HN 0.418 nan 8.380 nan 0.000 0.425 2262 A N 0.669 123.585 122.820 0.160 0.000 2.076 2262 A HA -0.100 4.211 4.320 -0.015 0.000 0.220 2262 A C 1.708 179.164 177.584 -0.213 0.000 1.160 2262 A CA 1.158 53.154 52.037 -0.069 0.000 0.653 2262 A CB -0.671 18.324 19.000 -0.010 0.000 0.801 2262 A HN 0.267 nan 8.150 nan 0.000 0.455 2263 F N -0.621 119.256 119.950 -0.121 0.000 2.505 2263 F HA 0.042 4.561 4.527 -0.014 0.000 0.289 2263 F C 2.544 178.248 175.800 -0.160 0.000 1.101 2263 F CA 0.862 58.752 58.000 -0.184 0.000 1.446 2263 F CB 0.149 38.901 39.000 -0.413 0.000 1.123 2263 F HN 0.259 nan 8.300 nan 0.000 0.564 2264 R N -0.749 119.738 120.500 -0.022 0.000 2.140 2264 R HA -0.001 4.330 4.340 -0.015 0.000 0.213 2264 R C 1.628 177.799 176.300 -0.215 0.000 1.059 2264 R CA 1.093 57.121 56.100 -0.119 0.000 1.000 2264 R CB -1.204 28.986 30.300 -0.183 0.000 0.910 2264 R HN 0.183 nan 8.270 nan 0.000 0.455 2265 F N 0.870 120.691 119.950 -0.216 0.000 2.641 2265 F HA -0.040 4.479 4.527 -0.013 0.000 0.298 2265 F C 1.823 177.383 175.800 -0.399 0.000 1.146 2265 F CA 0.015 57.788 58.000 -0.378 0.000 1.464 2265 F CB 0.206 38.841 39.000 -0.609 0.000 1.101 2265 F HN 0.093 nan 8.300 nan 0.000 0.585 2266 L N -0.070 121.080 121.223 -0.122 0.000 2.189 2266 L HA 0.069 4.400 4.340 -0.015 0.000 0.199 2266 L C 2.349 179.236 176.870 0.029 0.000 1.074 2266 L CA 1.386 56.195 54.840 -0.053 0.000 0.783 2266 L CB -0.839 41.206 42.059 -0.022 0.000 0.955 2266 L HN -0.146 nan 8.230 nan 0.000 0.460 2267 R N 0.212 120.739 120.500 0.044 0.000 2.112 2267 R HA -0.275 4.057 4.340 -0.015 0.000 0.242 2267 R C 2.308 178.602 176.300 -0.010 0.000 1.137 2267 R CA 2.301 58.434 56.100 0.054 0.000 0.944 2267 R CB -0.378 29.961 30.300 0.065 0.000 0.857 2267 R HN 0.392 nan 8.270 nan 0.000 0.435 2268 K N -0.157 120.165 120.400 -0.130 0.000 1.969 2268 K HA -0.197 4.114 4.320 -0.015 0.000 0.216 2268 K C 2.009 178.493 176.600 -0.193 0.000 1.048 2268 K CA 2.049 58.170 56.287 -0.277 0.000 0.948 2268 K CB -0.333 31.794 32.500 -0.621 0.000 0.726 2268 K HN 0.217 nan 8.250 nan 0.000 0.442 2269 Y N 0.594 120.988 120.300 0.157 0.000 2.420 2269 Y HA -0.001 4.541 4.550 -0.013 0.000 0.292 2269 Y C 2.258 178.291 175.900 0.222 0.000 1.119 2269 Y CA 0.727 58.984 58.100 0.262 0.000 1.229 2269 Y CB -0.217 38.451 38.460 0.346 0.000 1.026 2269 Y HN 0.176 nan 8.280 nan 0.000 0.554 2270 R N 0.873 121.545 120.500 0.287 0.000 2.159 2270 R HA -0.240 4.091 4.340 -0.015 0.000 0.249 2270 R C 1.272 177.753 176.300 0.300 0.000 1.136 2270 R CA 2.179 58.436 56.100 0.262 0.000 0.951 2270 R CB -0.660 29.775 30.300 0.226 0.000 0.876 2270 R HN 0.149 nan 8.270 nan 0.000 0.440 2271 E N 0.126 120.500 120.200 0.290 0.000 2.481 2271 E HA -0.022 4.319 4.350 -0.015 0.000 0.195 2271 E C 1.231 178.052 176.600 0.369 0.000 1.047 2271 E CA 0.703 57.325 56.400 0.369 0.000 0.867 2271 E CB 0.290 30.090 29.700 0.167 0.000 0.858 2271 E HN 0.528 nan 8.360 nan 0.000 0.513 2272 K N -1.171 119.331 120.400 0.170 0.000 2.350 2272 K HA 0.094 4.405 4.320 -0.015 0.000 0.196 2272 K C -0.019 176.288 176.600 -0.490 0.000 1.084 2272 K CA 0.329 56.550 56.287 -0.110 0.000 0.967 2272 K CB 0.622 33.041 32.500 -0.136 0.000 0.950 2272 K HN -0.077 nan 8.250 nan 0.000 0.512 2273 Y N -2.019 118.239 120.300 -0.070 0.000 2.790 2273 Y HA 0.274 4.815 4.550 -0.015 0.000 0.323 2273 Y C -0.389 175.329 175.900 -0.304 0.000 1.230 2273 Y CA -1.311 56.684 58.100 -0.174 0.000 1.121 2273 Y CB 0.927 39.353 38.460 -0.058 0.000 1.328 2273 Y HN -0.231 nan 8.280 nan 0.000 0.514 2274 C N 1.997 121.312 119.300 0.025 0.000 2.694 2274 C HA 0.469 4.920 4.460 -0.015 0.000 0.517 2274 C C 0.332 175.416 174.990 0.158 0.000 1.184 2274 C CA 0.005 59.026 59.018 0.004 0.000 1.476 2274 C CB -2.416 25.321 27.740 -0.005 0.000 1.743 2274 C HN 0.657 nan 8.230 nan 0.000 0.612 2275 T N 1.249 115.943 114.554 0.232 0.000 2.950 2275 T HA 0.825 5.167 4.350 -0.015 0.000 0.288 2275 T C -0.858 174.131 174.700 0.482 0.000 1.035 2275 T CA -0.422 61.882 62.100 0.339 0.000 1.028 2275 T CB 1.289 70.365 68.868 0.346 0.000 1.109 2275 T HN 0.779 nan 8.240 nan 0.000 0.514 2276 F N 1.534 121.631 119.950 0.245 0.000 2.688 2276 F HA 0.558 5.075 4.527 -0.015 0.000 0.308 2276 F C -1.512 174.389 175.800 0.168 0.000 1.117 2276 F CA -1.198 56.945 58.000 0.238 0.000 0.976 2276 F CB 1.210 40.452 39.000 0.403 0.000 1.291 2276 F HN 0.490 nan 8.300 nan 0.000 0.439 2277 N N 3.088 121.785 118.700 -0.004 0.000 2.558 2277 N HA 0.140 4.871 4.740 -0.015 0.000 0.242 2277 N C 0.127 175.538 175.510 -0.164 0.000 0.979 2277 N CA 0.026 52.976 53.050 -0.166 0.000 0.931 2277 N CB 1.317 39.705 38.487 -0.165 0.000 1.122 2277 N HN 1.047 nan 8.380 nan 0.000 0.508 2278 D N 2.998 123.260 120.400 -0.230 0.000 2.106 2278 D HA -0.211 4.420 4.640 -0.015 0.000 0.191 2278 D C 0.445 176.702 176.300 -0.072 0.000 0.997 2278 D CA 1.590 55.556 54.000 -0.056 0.000 0.834 2278 D CB 0.221 40.960 40.800 -0.101 0.000 0.956 2278 D HN 0.501 nan 8.370 nan 0.000 0.448 2279 D N -1.060 119.279 120.400 -0.103 0.000 2.362 2279 D HA -0.136 4.495 4.640 -0.015 0.000 0.215 2279 D C 1.456 177.679 176.300 -0.128 0.000 0.978 2279 D CA 0.867 54.811 54.000 -0.093 0.000 0.921 2279 D CB 0.086 40.831 40.800 -0.091 0.000 0.895 2279 D HN 0.495 nan 8.370 nan 0.000 0.494 2280 I N -1.189 119.274 120.570 -0.178 0.000 3.818 2280 I HA -0.048 4.113 4.170 -0.015 0.000 0.242 2280 I C 2.079 178.106 176.117 -0.150 0.000 1.111 2280 I CA -0.315 60.871 61.300 -0.190 0.000 1.576 2280 I CB -0.205 37.578 38.000 -0.362 0.000 1.572 2280 I HN -0.267 nan 8.210 nan 0.000 0.450 2281 Q N 1.508 121.152 119.800 -0.260 0.000 2.061 2281 Q HA -0.138 4.193 4.340 -0.015 0.000 0.204 2281 Q C 2.211 177.953 176.000 -0.431 0.000 0.984 2281 Q CA 1.931 57.399 55.803 -0.557 0.000 0.846 2281 Q CB -0.553 27.460 28.738 -1.208 0.000 0.902 2281 Q HN 0.662 nan 8.270 nan 0.000 0.421 2282 G N 0.341 109.032 108.800 -0.181 0.000 2.469 2282 G HA2 -0.296 3.656 3.960 -0.015 0.000 0.220 2282 G HA3 -0.296 3.656 3.960 -0.015 0.000 0.220 2282 G C 1.350 176.313 174.900 0.104 0.000 1.136 2282 G CA 1.505 46.661 45.100 0.092 0.000 0.759 2282 G HN 0.270 nan 8.290 nan 0.000 0.562 2283 T N 1.615 116.196 114.554 0.045 0.000 2.590 2283 T HA 0.087 4.429 4.350 -0.015 0.000 0.257 2283 T C 2.841 177.593 174.700 0.086 0.000 1.080 2283 T CA 1.754 63.894 62.100 0.067 0.000 1.180 2283 T CB -0.766 68.120 68.868 0.029 0.000 0.865 2283 T HN 0.384 nan 8.240 nan 0.000 0.403 2284 A N 1.718 124.574 122.820 0.059 0.000 2.001 2284 A HA -0.185 4.126 4.320 -0.015 0.000 0.224 2284 A C 2.529 180.188 177.584 0.126 0.000 1.203 2284 A CA 2.500 54.592 52.037 0.093 0.000 0.667 2284 A CB -1.332 17.715 19.000 0.079 0.000 0.823 2284 A HN 0.590 nan 8.150 nan 0.000 0.473 2285 A N -0.424 122.474 122.820 0.130 0.000 1.841 2285 A HA -0.078 4.233 4.320 -0.015 0.000 0.216 2285 A C 2.292 179.991 177.584 0.191 0.000 1.199 2285 A CA 2.764 54.912 52.037 0.184 0.000 0.621 2285 A CB -1.412 17.731 19.000 0.238 0.000 0.835 2285 A HN 0.975 nan 8.150 nan 0.000 0.445 2286 V N -0.829 119.212 119.914 0.211 0.000 2.332 2286 V HA -0.197 3.914 4.120 -0.015 0.000 0.248 2286 V C 2.822 179.133 176.094 0.361 0.000 1.055 2286 V CA 1.955 64.422 62.300 0.278 0.000 1.038 2286 V CB -2.014 29.930 31.823 0.201 0.000 0.651 2286 V HN 0.627 nan 8.190 nan 0.000 0.450 2287 A N 0.823 123.803 122.820 0.267 0.000 1.842 2287 A HA -0.236 4.075 4.320 -0.015 0.000 0.217 2287 A C 2.222 179.915 177.584 0.183 0.000 1.206 2287 A CA 2.478 54.673 52.037 0.264 0.000 0.630 2287 A CB -0.938 18.171 19.000 0.181 0.000 0.839 2287 A HN 0.439 nan 8.150 nan 0.000 0.447 2288 L N -0.452 120.848 121.223 0.128 0.000 1.976 2288 L HA -0.297 4.034 4.340 -0.015 0.000 0.223 2288 L C 2.969 179.876 176.870 0.061 0.000 1.081 2288 L CA 2.673 57.557 54.840 0.072 0.000 0.784 2288 L CB -0.917 41.196 42.059 0.090 0.000 0.896 2288 L HN 0.491 nan 8.230 nan 0.000 0.438 2289 A N -0.910 121.976 122.820 0.110 0.000 1.929 2289 A HA -0.305 4.006 4.320 -0.015 0.000 0.221 2289 A C 2.284 179.837 177.584 -0.052 0.000 1.211 2289 A CA 2.471 54.542 52.037 0.057 0.000 0.657 2289 A CB -1.741 17.346 19.000 0.146 0.000 0.827 2289 A HN 0.600 nan 8.150 nan 0.000 0.462 2290 G N -0.278 108.536 108.800 0.023 0.000 2.666 2290 G HA2 -0.218 3.734 3.960 -0.015 0.000 0.215 2290 G HA3 -0.218 3.734 3.960 -0.015 0.000 0.215 2290 G C 1.484 176.362 174.900 -0.036 0.000 1.294 2290 G CA 1.155 46.240 45.100 -0.026 0.000 0.811 2290 G HN 0.520 nan 8.290 nan 0.000 0.594 2291 L N 0.143 121.253 121.223 -0.189 0.000 2.123 2291 L HA -0.212 4.119 4.340 -0.015 0.000 0.217 2291 L C 2.921 179.727 176.870 -0.105 0.000 1.081 2291 L CA 0.788 55.486 54.840 -0.238 0.000 0.772 2291 L CB -0.794 41.117 42.059 -0.246 0.000 0.890 2291 L HN 0.212 nan 8.230 nan 0.000 0.437 2292 L N -0.093 121.091 121.223 -0.065 0.000 1.910 2292 L HA -0.247 4.084 4.340 -0.015 0.000 0.221 2292 L C 2.897 179.741 176.870 -0.043 0.000 1.084 2292 L CA 1.776 56.593 54.840 -0.038 0.000 0.779 2292 L CB -0.997 41.046 42.059 -0.026 0.000 0.888 2292 L HN 0.308 nan 8.230 nan 0.000 0.432 2293 A N -0.270 122.510 122.820 -0.067 0.000 2.067 2293 A HA -0.311 4.001 4.320 -0.015 0.000 0.224 2293 A C 2.369 179.928 177.584 -0.042 0.000 1.172 2293 A CA 2.196 54.190 52.037 -0.071 0.000 0.662 2293 A CB -0.767 18.154 19.000 -0.131 0.000 0.814 2293 A HN 0.621 nan 8.150 nan 0.000 0.468 2294 A N -1.071 121.734 122.820 -0.025 0.000 1.841 2294 A HA -0.195 4.116 4.320 -0.015 0.000 0.214 2294 A C 2.146 179.726 177.584 -0.008 0.000 1.195 2294 A CA 1.944 53.984 52.037 0.005 0.000 0.611 2294 A CB -0.624 18.389 19.000 0.022 0.000 0.835 2294 A HN 0.595 nan 8.150 nan 0.000 0.443 2295 Q N -0.077 119.713 119.800 -0.017 0.000 2.226 2295 Q HA -0.174 4.157 4.340 -0.015 0.000 0.204 2295 Q C 1.905 177.913 176.000 0.014 0.000 0.975 2295 Q CA 1.973 57.781 55.803 0.008 0.000 0.866 2295 Q CB -0.255 28.505 28.738 0.036 0.000 0.915 2295 Q HN 0.672 nan 8.270 nan 0.000 0.440 2296 K N -0.492 119.908 120.400 -0.000 0.000 2.280 2296 K HA -0.117 4.194 4.320 -0.015 0.000 0.202 2296 K C 1.473 178.071 176.600 -0.003 0.000 1.047 2296 K CA 1.430 57.715 56.287 -0.003 0.000 0.942 2296 K CB 0.112 32.603 32.500 -0.015 0.000 0.739 2296 K HN 0.301 nan 8.250 nan 0.000 0.457 2297 V N -2.725 117.186 119.914 -0.005 0.000 3.621 2297 V HA 0.120 4.231 4.120 -0.015 0.000 0.263 2297 V C 1.506 177.601 176.094 0.002 0.000 1.272 2297 V CA -0.028 62.268 62.300 -0.007 0.000 1.080 2297 V CB 0.068 31.879 31.823 -0.019 0.000 0.816 2297 V HN 0.030 nan 8.190 nan 0.000 0.451 2298 I N 1.574 122.150 120.570 0.010 0.000 2.429 2298 I HA 0.250 4.411 4.170 -0.015 0.000 0.247 2298 I C 1.406 177.543 176.117 0.033 0.000 1.099 2298 I CA 1.008 62.321 61.300 0.020 0.000 1.422 2298 I CB -0.382 37.630 38.000 0.019 0.000 1.112 2298 I HN 0.548 nan 8.210 nan 0.000 0.430 2299 S N 0.972 116.697 115.700 0.041 0.000 3.797 2299 S HA -0.228 4.234 4.470 -0.015 0.000 0.374 2299 S C 0.465 175.101 174.600 0.060 0.000 0.970 2299 S CA 0.373 58.599 58.200 0.044 0.000 1.177 2299 S CB -1.823 61.392 63.200 0.025 0.000 0.891 2299 S HN 0.556 nan 8.310 nan 0.000 0.491 2300 K N 1.213 121.682 120.400 0.115 0.000 2.389 2300 K HA 0.347 4.658 4.320 -0.015 0.000 0.261 2300 K C -2.881 173.772 176.600 0.088 0.000 1.014 2300 K CA -2.475 53.897 56.287 0.142 0.000 0.920 2300 K CB 0.780 33.411 32.500 0.218 0.000 1.149 2300 K HN -0.123 nan 8.250 nan 0.000 0.444 2301 P HA -0.168 nan 4.420 nan 0.000 0.185 2301 P C 0.482 177.589 177.300 -0.321 0.000 0.860 2301 P CA 0.338 63.364 63.100 -0.123 0.000 1.176 2301 P CB -0.305 31.352 31.700 -0.072 0.000 1.233 2302 I N 1.865 122.158 120.570 -0.461 0.000 3.938 2302 I HA -0.504 3.657 4.170 -0.015 0.000 0.148 2302 I C 2.420 178.209 176.117 -0.546 0.000 0.715 2302 I CA 2.502 63.413 61.300 -0.648 0.000 0.935 2302 I CB -1.715 36.151 38.000 -0.223 0.000 0.757 2302 I HN 0.249 nan 8.210 nan 0.000 0.267 2303 S N -0.608 114.940 115.700 -0.254 0.000 2.421 2303 S HA -0.301 4.160 4.470 -0.015 0.000 0.239 2303 S C 1.555 176.087 174.600 -0.114 0.000 1.054 2303 S CA 2.157 60.271 58.200 -0.142 0.000 1.035 2303 S CB -0.552 62.594 63.200 -0.090 0.000 0.840 2303 S HN 0.693 nan 8.310 nan 0.000 0.475 2304 E N -0.415 119.699 120.200 -0.144 0.000 2.481 2304 E HA 0.087 4.429 4.350 -0.015 0.000 0.195 2304 E C 0.303 176.945 176.600 0.070 0.000 1.047 2304 E CA 0.146 56.526 56.400 -0.034 0.000 0.867 2304 E CB -0.254 29.438 29.700 -0.012 0.000 0.858 2304 E HN 0.657 nan 8.360 nan 0.000 0.513 2305 H N 1.300 120.370 119.070 0.001 0.000 2.871 2305 H HA 0.202 4.749 4.556 -0.015 0.000 0.355 2305 H C -0.146 175.190 175.328 0.014 0.000 1.092 2305 H CA 0.021 56.070 56.048 0.002 0.000 1.420 2305 H CB 0.647 30.407 29.762 -0.003 0.000 1.400 2305 H HN -0.106 nan 8.280 nan 0.000 0.604 2306 K N 2.907 123.388 120.400 0.135 0.000 2.687 2306 K HA 0.232 4.543 4.320 -0.015 0.000 0.249 2306 K C -1.560 175.069 176.600 0.047 0.000 0.994 2306 K CA -0.589 55.756 56.287 0.098 0.000 0.913 2306 K CB 1.079 33.614 32.500 0.059 0.000 1.202 2306 K HN 0.328 nan 8.250 nan 0.000 0.460 2307 I N 3.985 124.585 120.570 0.050 0.000 2.336 2307 I HA 0.281 4.442 4.170 -0.015 0.000 0.292 2307 I C -0.881 175.233 176.117 -0.007 0.000 0.991 2307 I CA -0.710 60.557 61.300 -0.056 0.000 1.227 2307 I CB 1.325 39.217 38.000 -0.181 0.000 1.366 2307 I HN 0.359 nan 8.210 nan 0.000 0.466 2308 L N 7.688 128.924 121.223 0.020 0.000 2.341 2308 L HA 0.610 4.942 4.340 -0.015 0.000 0.278 2308 L C -1.405 175.614 176.870 0.248 0.000 1.005 2308 L CA -0.233 54.721 54.840 0.190 0.000 0.818 2308 L CB 0.998 43.202 42.059 0.242 0.000 1.259 2308 L HN 0.188 nan 8.230 nan 0.000 0.418 2309 F N 4.889 125.041 119.950 0.337 0.000 2.421 2309 F HA 0.360 4.878 4.527 -0.014 0.000 0.337 2309 F C 0.562 176.528 175.800 0.278 0.000 1.105 2309 F CA -0.779 57.372 58.000 0.250 0.000 1.049 2309 F CB 1.699 40.790 39.000 0.152 0.000 1.139 2309 F HN 0.354 nan 8.300 nan 0.000 0.479 2310 L N 3.060 124.500 121.223 0.361 0.000 2.715 2310 L HA 0.507 4.838 4.340 -0.015 0.000 0.238 2310 L C 0.237 177.184 176.870 0.130 0.000 1.212 2310 L CA 0.176 55.093 54.840 0.129 0.000 1.017 2310 L CB -1.070 40.867 42.059 -0.204 0.000 1.269 2310 L HN 0.617 nan 8.230 nan 0.000 0.452 2311 G N -1.253 107.636 108.800 0.148 0.000 2.308 2311 G HA2 0.416 4.368 3.960 -0.015 0.000 0.288 2311 G HA3 0.416 4.368 3.960 -0.015 0.000 0.288 2311 G C -1.009 173.859 174.900 -0.053 0.000 1.722 2311 G CA -0.353 44.757 45.100 0.017 0.000 0.924 2311 G HN 0.301 nan 8.290 nan 0.000 0.732 2312 A N 0.778 123.574 122.820 -0.040 0.000 3.215 2312 A HA 0.776 5.087 4.320 -0.015 0.000 0.269 2312 A C 0.835 178.362 177.584 -0.096 0.000 1.517 2312 A CA 0.424 52.417 52.037 -0.074 0.000 1.221 2312 A CB -0.226 18.766 19.000 -0.014 0.000 1.160 2312 A HN 1.905 nan 8.150 nan 0.000 0.620 2313 G N -0.894 107.830 108.800 -0.127 0.000 2.591 2313 G HA2 0.469 4.420 3.960 -0.015 0.000 0.306 2313 G HA3 0.469 4.420 3.960 -0.015 0.000 0.306 2313 G C 0.281 175.155 174.900 -0.043 0.000 1.334 2313 G CA 0.195 45.251 45.100 -0.074 0.000 0.981 2313 G HN 0.486 nan 8.290 nan 0.000 0.491 2314 E N 0.948 121.202 120.200 0.091 0.000 3.019 2314 E HA -0.466 3.876 4.350 -0.015 0.000 0.199 2314 E C 2.412 179.088 176.600 0.125 0.000 0.940 2314 E CA 3.602 60.167 56.400 0.274 0.000 1.749 2314 E CB -0.710 29.083 29.700 0.155 0.000 1.685 2314 E HN 0.845 nan 8.360 nan 0.000 0.404 2315 A N 0.526 123.339 122.820 -0.011 0.000 1.892 2315 A HA -0.152 4.159 4.320 -0.015 0.000 0.218 2315 A C 2.395 179.878 177.584 -0.168 0.000 1.188 2315 A CA 3.381 55.375 52.037 -0.071 0.000 0.631 2315 A CB -1.212 17.728 19.000 -0.100 0.000 0.822 2315 A HN 0.656 nan 8.150 nan 0.000 0.447 2316 A N -0.254 122.373 122.820 -0.321 0.000 1.824 2316 A HA -0.022 4.289 4.320 -0.015 0.000 0.215 2316 A C 1.972 179.341 177.584 -0.359 0.000 1.209 2316 A CA 1.789 53.429 52.037 -0.663 0.000 0.614 2316 A CB -0.994 17.584 19.000 -0.703 0.000 0.852 2316 A HN 0.506 nan 8.150 nan 0.000 0.447 2317 L N 0.467 121.553 121.223 -0.229 0.000 2.103 2317 L HA -0.192 4.139 4.340 -0.015 0.000 0.215 2317 L C 2.690 179.583 176.870 0.038 0.000 1.080 2317 L CA 1.935 56.685 54.840 -0.150 0.000 0.764 2317 L CB -1.424 40.568 42.059 -0.111 0.000 0.890 2317 L HN 0.465 nan 8.230 nan 0.000 0.435 2318 G N -0.348 108.530 108.800 0.131 0.000 2.433 2318 G HA2 -0.189 3.762 3.960 -0.015 0.000 0.216 2318 G HA3 -0.189 3.762 3.960 -0.015 0.000 0.216 2318 G C 1.671 176.643 174.900 0.119 0.000 1.186 2318 G CA 1.027 46.230 45.100 0.171 0.000 0.779 2318 G HN 0.397 nan 8.290 nan 0.000 0.543 2319 I N 1.344 121.968 120.570 0.089 0.000 2.286 2319 I HA -0.039 4.122 4.170 -0.015 0.000 0.245 2319 I C 3.284 179.532 176.117 0.219 0.000 1.104 2319 I CA 0.733 62.131 61.300 0.162 0.000 1.397 2319 I CB -0.252 37.883 38.000 0.226 0.000 1.072 2319 I HN 0.221 nan 8.210 nan 0.000 0.417 2320 A N 0.953 123.910 122.820 0.228 0.000 1.940 2320 A HA -0.322 3.989 4.320 -0.015 0.000 0.221 2320 A C 2.180 179.945 177.584 0.301 0.000 1.190 2320 A CA 2.570 54.719 52.037 0.187 0.000 0.647 2320 A CB -0.829 17.919 19.000 -0.420 0.000 0.821 2320 A HN 0.511 nan 8.150 nan 0.000 0.457 2321 N N -0.971 117.896 118.700 0.279 0.000 2.336 2321 N HA -0.017 4.714 4.740 -0.015 0.000 0.177 2321 N C 1.579 177.219 175.510 0.216 0.000 1.018 2321 N CA 0.920 54.157 53.050 0.311 0.000 0.878 2321 N CB -0.158 38.497 38.487 0.280 0.000 0.997 2321 N HN 0.327 nan 8.380 nan 0.000 0.433 2322 L N 1.332 122.667 121.223 0.186 0.000 2.265 2322 L HA 0.014 4.346 4.340 -0.015 0.000 0.215 2322 L C 1.974 178.930 176.870 0.144 0.000 1.117 2322 L CA 0.763 55.700 54.840 0.161 0.000 0.782 2322 L CB -0.225 41.926 42.059 0.154 0.000 0.914 2322 L HN 0.166 nan 8.230 nan 0.000 0.441 2323 I N -2.137 118.528 120.570 0.158 0.000 2.130 2323 I HA -0.185 3.976 4.170 -0.015 0.000 0.232 2323 I C 1.395 177.592 176.117 0.134 0.000 1.064 2323 I CA 0.266 61.646 61.300 0.134 0.000 1.338 2323 I CB -0.207 37.877 38.000 0.140 0.000 1.084 2323 I HN -0.196 nan 8.210 nan 0.000 0.404 2329 E N 1.153 121.375 120.200 0.036 0.000 2.448 2329 E HA -0.208 4.133 4.350 -0.015 0.000 0.203 2329 E C 0.568 177.185 176.600 0.028 0.000 1.046 2329 E CA 1.688 58.110 56.400 0.037 0.000 0.871 2329 E CB -0.092 29.636 29.700 0.046 0.000 0.790 2329 E HN 0.629 nan 8.360 nan 0.000 0.545 2330 N N 0.230 118.943 118.700 0.022 0.000 2.635 2330 N HA 0.196 4.927 4.740 -0.015 0.000 0.307 2330 N C -0.352 175.161 175.510 0.003 0.000 1.433 2330 N CA 0.560 53.618 53.050 0.012 0.000 0.973 2330 N CB 0.882 39.374 38.487 0.010 0.000 1.304 2330 N HN 0.291 nan 8.380 nan 0.000 0.507 2331 G N 0.359 109.162 108.800 0.006 0.000 2.283 2331 G HA2 -0.285 3.667 3.960 -0.015 0.000 0.280 2331 G HA3 -0.285 3.667 3.960 -0.015 0.000 0.280 2331 G C -0.232 174.665 174.900 -0.005 0.000 1.029 2331 G CA 0.255 45.355 45.100 0.000 0.000 0.840 2331 G HN 0.390 nan 8.290 nan 0.000 0.505 2332 L N 0.451 121.673 121.223 -0.003 0.000 2.346 2332 L HA 0.701 5.032 4.340 -0.015 0.000 0.274 2332 L C 0.882 177.747 176.870 -0.008 0.000 1.007 2332 L CA -0.427 54.408 54.840 -0.008 0.000 0.818 2332 L CB 2.016 44.070 42.059 -0.009 0.000 1.284 2332 L HN 0.282 nan 8.230 nan 0.000 0.424 2333 S N 2.705 118.396 115.700 -0.015 0.000 2.465 2333 S HA 0.049 4.510 4.470 -0.015 0.000 0.280 2333 S C 1.143 175.727 174.600 -0.026 0.000 1.232 2333 S CA -0.032 58.157 58.200 -0.019 0.000 1.066 2333 S CB 0.527 63.714 63.200 -0.023 0.000 0.929 2333 S HN 0.843 nan 8.310 nan 0.000 0.494 2334 E N 2.694 122.879 120.200 -0.025 0.000 2.196 2334 E HA -0.409 3.933 4.350 -0.015 0.000 0.222 2334 E C 1.792 178.352 176.600 -0.066 0.000 1.072 2334 E CA 2.410 58.787 56.400 -0.039 0.000 0.902 2334 E CB -0.281 29.393 29.700 -0.043 0.000 0.780 2334 E HN 0.924 nan 8.360 nan 0.000 0.467 2335 Q N 0.769 120.530 119.800 -0.065 0.000 2.045 2335 Q HA -0.247 4.085 4.340 -0.015 0.000 0.206 2335 Q C 1.823 177.780 176.000 -0.072 0.000 0.991 2335 Q CA 2.782 58.540 55.803 -0.075 0.000 0.851 2335 Q CB -0.323 28.380 28.738 -0.058 0.000 0.911 2335 Q HN 0.606 nan 8.270 nan 0.000 0.418 2336 E N -0.637 119.530 120.200 -0.055 0.000 2.208 2336 E HA -0.057 4.284 4.350 -0.015 0.000 0.193 2336 E C 1.908 178.476 176.600 -0.053 0.000 0.988 2336 E CA 0.745 57.113 56.400 -0.054 0.000 0.828 2336 E CB -0.366 29.311 29.700 -0.038 0.000 0.763 2336 E HN 0.403 nan 8.360 nan 0.000 0.478 2337 A N 2.860 125.655 122.820 -0.040 0.000 1.845 2337 A HA -0.282 4.029 4.320 -0.015 0.000 0.215 2337 A C 2.392 179.967 177.584 -0.016 0.000 1.195 2337 A CA 1.970 53.998 52.037 -0.016 0.000 0.616 2337 A CB -0.811 18.188 19.000 -0.001 0.000 0.832 2337 A HN 0.457 nan 8.150 nan 0.000 0.443 2338 Q N -1.135 118.626 119.800 -0.066 0.000 2.364 2338 Q HA -0.068 4.263 4.340 -0.015 0.000 0.207 2338 Q C 1.229 177.199 176.000 -0.050 0.000 0.970 2338 Q CA 1.289 57.021 55.803 -0.119 0.000 0.888 2338 Q CB -0.204 28.280 28.738 -0.424 0.000 0.951 2338 Q HN 0.450 nan 8.270 nan 0.000 0.469 2339 K N 0.713 121.025 120.400 -0.147 0.000 2.525 2339 K HA 0.058 4.370 4.320 -0.015 0.000 0.192 2339 K C 0.791 177.118 176.600 -0.456 0.000 1.029 2339 K CA 0.257 56.250 56.287 -0.490 0.000 1.029 2339 K CB 0.381 32.706 32.500 -0.291 0.000 0.814 2339 K HN 0.245 nan 8.250 nan 0.000 0.503 2340 K N 0.565 120.878 120.400 -0.145 0.000 2.358 2340 K HA 0.227 4.538 4.320 -0.015 0.000 0.200 2340 K C 0.292 176.968 176.600 0.127 0.000 1.030 2340 K CA 0.091 56.388 56.287 0.017 0.000 1.097 2340 K CB 0.929 33.459 32.500 0.050 0.000 0.862 2340 K HN 0.023 nan 8.250 nan 0.000 0.534 2341 I N 0.510 121.162 120.570 0.136 0.000 2.355 2341 I HA 0.284 4.445 4.170 -0.015 0.000 0.288 2341 I C -0.609 175.733 176.117 0.376 0.000 0.999 2341 I CA -0.633 60.851 61.300 0.306 0.000 1.163 2341 I CB 0.534 38.857 38.000 0.538 0.000 1.316 2341 I HN -0.071 nan 8.210 nan 0.000 0.454 2345 D N 4.744 125.039 120.400 -0.175 0.000 2.487 2345 D HA 0.252 4.883 4.640 -0.015 0.000 0.262 2345 D C 1.063 177.142 176.300 -0.369 0.000 1.130 2345 D CA -0.334 53.562 54.000 -0.173 0.000 1.038 2345 D CB 1.130 41.886 40.800 -0.074 0.000 1.142 2345 D HN 0.609 nan 8.370 nan 0.000 0.575 2346 K N -0.024 120.184 120.400 -0.321 0.000 2.097 2346 K HA -0.289 4.023 4.320 -0.015 0.000 0.214 2346 K C 1.321 177.650 176.600 -0.451 0.000 1.052 2346 K CA 1.556 57.596 56.287 -0.413 0.000 0.932 2346 K CB -1.156 31.017 32.500 -0.546 0.000 0.716 2346 K HN 0.507 nan 8.250 nan 0.000 0.455 2347 Y N 2.569 122.769 120.300 -0.166 0.000 2.542 2347 Y HA 0.062 4.603 4.550 -0.015 0.000 0.349 2347 Y C 1.473 177.252 175.900 -0.202 0.000 1.215 2347 Y CA 0.223 58.241 58.100 -0.136 0.000 1.253 2347 Y CB -0.466 37.944 38.460 -0.083 0.000 1.120 2347 Y HN 0.600 nan 8.280 nan 0.000 0.487 2348 G N 0.298 108.884 108.800 -0.356 0.000 2.484 2348 G HA2 -0.274 3.677 3.960 -0.015 0.000 0.225 2348 G HA3 -0.274 3.677 3.960 -0.015 0.000 0.225 2348 G C -1.079 173.324 174.900 -0.828 0.000 1.250 2348 G CA -0.502 44.284 45.100 -0.523 0.000 0.926 2348 G HN 0.221 nan 8.290 nan 0.000 0.581 2349 L N 0.164 121.370 121.223 -0.029 0.000 2.350 2349 L HA 0.704 5.035 4.340 -0.015 0.000 0.275 2349 L C 0.393 177.424 176.870 0.268 0.000 1.099 2349 L CA -1.015 54.060 54.840 0.391 0.000 0.808 2349 L CB 0.854 43.278 42.059 0.608 0.000 1.149 2349 L HN 0.594 nan 8.230 nan 0.000 0.442 2350 L N 6.419 127.838 121.223 0.327 0.000 2.385 2350 L HA 0.339 4.671 4.340 -0.015 0.000 0.285 2350 L C -0.195 176.816 176.870 0.236 0.000 1.125 2350 L CA 0.427 55.401 54.840 0.224 0.000 0.890 2350 L CB 0.262 42.433 42.059 0.187 0.000 1.251 2350 L HN 0.493 nan 8.230 nan 0.000 0.445 2351 V N 4.011 124.038 119.914 0.187 0.000 3.160 2351 V HA 0.419 4.530 4.120 -0.015 0.000 0.310 2351 V C -0.147 175.999 176.094 0.086 0.000 1.181 2351 V CA -1.192 61.215 62.300 0.178 0.000 1.047 2351 V CB 3.058 35.063 31.823 0.304 0.000 1.068 2351 V HN 0.498 nan 8.190 nan 0.000 0.441 2352 K N 1.902 122.342 120.400 0.068 0.000 2.412 2352 K HA 0.326 4.637 4.320 -0.015 0.000 0.284 2352 K C 1.018 177.644 176.600 0.043 0.000 1.046 2352 K CA 0.963 57.271 56.287 0.036 0.000 0.999 2352 K CB 0.064 32.582 32.500 0.030 0.000 0.941 2352 K HN 1.247 nan 8.250 nan 0.000 0.474 2353 G N 2.617 111.432 108.800 0.024 0.000 2.199 2353 G HA2 -0.339 3.613 3.960 -0.015 0.000 0.254 2353 G HA3 -0.339 3.613 3.960 -0.015 0.000 0.254 2353 G C 0.324 175.238 174.900 0.023 0.000 0.982 2353 G CA 0.500 45.613 45.100 0.021 0.000 0.632 2353 G HN 0.721 nan 8.290 nan 0.000 0.529 2354 R N 0.928 121.449 120.500 0.034 0.000 2.740 2354 R HA 0.164 4.495 4.340 -0.015 0.000 0.263 2354 R C 1.682 177.984 176.300 0.004 0.000 0.997 2354 R CA 0.798 56.918 56.100 0.033 0.000 1.108 2354 R CB 0.351 30.682 30.300 0.052 0.000 0.969 2354 R HN 0.145 nan 8.270 nan 0.000 0.431 2355 K N 2.007 122.407 120.400 -0.001 0.000 2.044 2355 K HA -0.155 4.156 4.320 -0.015 0.000 0.210 2355 K C 1.264 177.822 176.600 -0.070 0.000 1.049 2355 K CA 1.717 57.988 56.287 -0.027 0.000 0.927 2355 K CB -0.744 31.744 32.500 -0.020 0.000 0.713 2355 K HN 0.747 nan 8.250 nan 0.000 0.443 2356 A N 1.997 124.760 122.820 -0.095 0.000 2.339 2356 A HA 0.078 4.389 4.320 -0.015 0.000 0.272 2356 A C 0.145 177.647 177.584 -0.137 0.000 1.182 2356 A CA 0.260 52.178 52.037 -0.198 0.000 0.819 2356 A CB 0.049 18.918 19.000 -0.219 0.000 1.115 2356 A HN 0.157 nan 8.150 nan 0.000 0.512 2357 K N -1.388 118.914 120.400 -0.163 0.000 2.123 2357 K HA 0.658 4.969 4.320 -0.015 0.000 0.248 2357 K C -1.443 175.130 176.600 -0.045 0.000 0.969 2357 K CA -0.060 56.173 56.287 -0.090 0.000 0.882 2357 K CB 1.358 33.802 32.500 -0.093 0.000 1.080 2357 K HN 0.473 nan 8.250 nan 0.000 0.441 2358 I N 1.220 121.773 120.570 -0.029 0.000 2.548 2358 I HA 0.186 4.348 4.170 -0.015 0.000 0.287 2358 I C -0.699 175.409 176.117 -0.016 0.000 1.103 2358 I CA -1.051 60.241 61.300 -0.012 0.000 1.049 2358 I CB 1.562 39.557 38.000 -0.007 0.000 1.232 2358 I HN 0.564 nan 8.210 nan 0.000 0.429 2359 D N 3.749 124.140 120.400 -0.015 0.000 2.360 2359 D HA 0.056 4.687 4.640 -0.015 0.000 0.242 2359 D C 1.338 177.643 176.300 0.008 0.000 1.184 2359 D CA 0.238 54.227 54.000 -0.019 0.000 0.930 2359 D CB 1.358 42.127 40.800 -0.052 0.000 1.161 2359 D HN 0.581 nan 8.370 nan 0.000 0.447 2360 S N 1.051 116.763 115.700 0.020 0.000 2.374 2360 S HA -0.307 4.155 4.470 -0.015 0.000 0.227 2360 S C 1.955 176.568 174.600 0.023 0.000 1.037 2360 S CA 0.992 59.203 58.200 0.018 0.000 1.024 2360 S CB -0.968 62.248 63.200 0.026 0.000 0.861 2360 S HN 0.590 nan 8.310 nan 0.000 0.456 2361 Y N 1.809 122.028 120.300 -0.135 0.000 2.352 2361 Y HA 0.053 4.594 4.550 -0.015 0.000 0.292 2361 Y C 2.875 178.755 175.900 -0.034 0.000 1.136 2361 Y CA 1.295 59.313 58.100 -0.136 0.000 1.227 2361 Y CB -0.539 37.735 38.460 -0.311 0.000 0.991 2361 Y HN 0.415 nan 8.280 nan 0.000 0.545 2362 Q N -0.558 119.305 119.800 0.104 0.000 2.096 2362 Q HA -0.152 4.179 4.340 -0.015 0.000 0.197 2362 Q C 1.965 178.011 176.000 0.077 0.000 0.964 2362 Q CA 1.029 56.891 55.803 0.098 0.000 0.838 2362 Q CB 0.004 28.765 28.738 0.039 0.000 0.906 2362 Q HN 0.296 nan 8.270 nan 0.000 0.444 2363 E N 0.148 120.351 120.200 0.005 0.000 2.149 2363 E HA -0.251 4.090 4.350 -0.015 0.000 0.215 2363 E C -1.029 175.500 176.600 -0.118 0.000 1.055 2363 E CA 2.388 58.756 56.400 -0.054 0.000 0.870 2363 E CB -0.957 28.705 29.700 -0.064 0.000 0.764 2363 E HN 0.335 nan 8.360 nan 0.000 0.463 2364 P HA -0.153 nan 4.420 nan 0.000 0.215 2364 P C 0.625 177.624 177.300 -0.501 0.000 1.157 2364 P CA 1.299 64.202 63.100 -0.328 0.000 0.868 2364 P CB -0.061 31.375 31.700 -0.440 0.000 0.788 2365 F N -1.172 118.614 119.950 -0.274 0.000 2.769 2365 F HA 0.072 4.590 4.527 -0.015 0.000 0.304 2365 F C 0.578 175.914 175.800 -0.772 0.000 1.158 2365 F CA 0.463 58.198 58.000 -0.442 0.000 1.398 2365 F CB -1.164 37.765 39.000 -0.118 0.000 1.094 2365 F HN -0.213 nan 8.300 nan 0.000 0.553 2366 T N 0.350 114.601 114.554 -0.504 0.000 3.400 2366 T HA 0.161 4.502 4.350 -0.015 0.000 0.364 2366 T C -0.113 174.282 174.700 -0.509 0.000 1.636 2366 T CA -0.463 61.396 62.100 -0.402 0.000 1.211 2366 T CB -0.602 68.173 68.868 -0.154 0.000 1.180 2366 T HN 0.096 nan 8.240 nan 0.000 0.730 2367 H N 0.902 119.733 119.070 -0.398 0.000 2.764 2367 H HA 0.189 4.736 4.556 -0.015 0.000 0.341 2367 H C 0.719 175.972 175.328 -0.124 0.000 1.072 2367 H CA -0.359 55.462 56.048 -0.378 0.000 1.444 2367 H CB 0.611 29.929 29.762 -0.740 0.000 1.458 2367 H HN 0.362 nan 8.280 nan 0.000 0.572 2368 S N 1.360 117.108 115.700 0.081 0.000 2.702 2368 S HA 0.073 4.534 4.470 -0.015 0.000 0.314 2368 S C 0.523 175.255 174.600 0.221 0.000 1.244 2368 S CA -0.246 58.025 58.200 0.118 0.000 1.058 2368 S CB -0.134 63.121 63.200 0.091 0.000 0.783 2368 S HN 0.807 nan 8.310 nan 0.000 0.503 2369 A N 6.793 129.733 122.820 0.200 0.000 2.615 2369 A HA 0.153 4.465 4.320 -0.015 0.000 0.240 2369 A C -1.972 175.743 177.584 0.219 0.000 1.003 2369 A CA -0.384 51.789 52.037 0.227 0.000 0.778 2369 A CB -0.565 18.523 19.000 0.146 0.000 0.907 2369 A HN 0.593 nan 8.150 nan 0.000 0.507 2370 P HA 0.311 nan 4.420 nan 0.000 0.281 2370 P C 0.761 178.106 177.300 0.075 0.000 1.249 2370 P CA -0.497 62.681 63.100 0.131 0.000 0.810 2370 P CB 0.928 32.649 31.700 0.035 0.000 1.008 2371 E N 2.237 122.467 120.200 0.050 0.000 2.119 2371 E HA -0.203 4.138 4.350 -0.015 0.000 0.221 2371 E C -0.208 176.410 176.600 0.030 0.000 1.062 2371 E CA 1.990 58.411 56.400 0.035 0.000 0.894 2371 E CB -0.791 28.921 29.700 0.019 0.000 0.785 2371 E HN 0.468 nan 8.360 nan 0.000 0.472 2372 S N -0.020 115.688 115.700 0.013 0.000 2.442 2372 S HA 0.486 4.948 4.470 -0.015 0.000 0.297 2372 S C -0.275 174.334 174.600 0.015 0.000 1.131 2372 S CA -0.845 57.361 58.200 0.011 0.000 1.092 2372 S CB 1.388 64.585 63.200 -0.006 0.000 0.998 2372 S HN 0.207 nan 8.310 nan 0.000 0.478 2373 I N 5.309 125.903 120.570 0.040 0.000 2.325 2373 I HA 0.338 4.499 4.170 -0.015 0.000 0.291 2373 I C -1.554 174.601 176.117 0.063 0.000 1.019 2373 I CA -2.045 59.294 61.300 0.065 0.000 1.302 2373 I CB 0.333 38.389 38.000 0.094 0.000 1.401 2373 I HN 0.488 nan 8.210 nan 0.000 0.485 2374 P HA 0.222 nan 4.420 nan 0.000 0.288 2374 P C -0.407 176.978 177.300 0.143 0.000 1.291 2374 P CA 0.137 63.270 63.100 0.054 0.000 0.766 2374 P CB 0.837 32.529 31.700 -0.015 0.000 1.242 2375 D N -4.187 116.305 120.400 0.154 0.000 2.204 2375 D HA 0.030 4.661 4.640 -0.015 0.000 0.337 2375 D C -0.316 176.164 176.300 0.301 0.000 1.054 2375 D CA 0.354 54.491 54.000 0.227 0.000 0.869 2375 D CB -0.345 40.539 40.800 0.140 0.000 1.548 2375 D HN 0.220 nan 8.370 nan 0.000 0.530 2376 T N 1.049 115.695 114.554 0.155 0.000 2.855 2376 T HA 0.280 4.621 4.350 -0.015 0.000 0.281 2376 T C 0.275 174.877 174.700 -0.164 0.000 1.007 2376 T CA -0.602 61.565 62.100 0.111 0.000 1.009 2376 T CB 1.757 70.650 68.868 0.042 0.000 0.983 2376 T HN -0.041 nan 8.240 nan 0.000 0.455 2377 F N 2.856 122.568 119.950 -0.397 0.000 2.091 2377 F HA -0.154 4.364 4.527 -0.014 0.000 0.299 2377 F C 2.434 177.998 175.800 -0.395 0.000 1.103 2377 F CA 2.006 59.514 58.000 -0.820 0.000 1.228 2377 F CB -0.094 38.707 39.000 -0.332 0.000 0.984 2377 F HN 0.781 nan 8.300 nan 0.000 0.477 2378 E N 0.441 120.470 120.200 -0.285 0.000 2.097 2378 E HA -0.296 4.045 4.350 -0.015 0.000 0.196 2378 E C 1.709 178.106 176.600 -0.338 0.000 1.000 2378 E CA 2.084 58.293 56.400 -0.319 0.000 0.804 2378 E CB -0.680 28.966 29.700 -0.090 0.000 0.740 2378 E HN 0.500 nan 8.360 nan 0.000 0.454 2379 D N 0.653 120.909 120.400 -0.239 0.000 2.103 2379 D HA -0.152 4.479 4.640 -0.015 0.000 0.190 2379 D C 1.982 178.123 176.300 -0.265 0.000 0.997 2379 D CA 2.382 56.271 54.000 -0.185 0.000 0.833 2379 D CB -0.443 40.303 40.800 -0.090 0.000 0.961 2379 D HN 0.375 nan 8.370 nan 0.000 0.447 2380 A N 0.260 122.860 122.820 -0.367 0.000 1.859 2380 A HA -0.256 4.055 4.320 -0.015 0.000 0.218 2380 A C 2.488 179.814 177.584 -0.430 0.000 1.209 2380 A CA 2.330 54.134 52.037 -0.389 0.000 0.639 2380 A CB -1.214 17.495 19.000 -0.485 0.000 0.835 2380 A HN 0.144 nan 8.150 nan 0.000 0.450 2381 V N 1.046 120.589 119.914 -0.617 0.000 2.277 2381 V HA -0.452 3.659 4.120 -0.015 0.000 0.261 2381 V C 2.313 178.211 176.094 -0.327 0.000 1.091 2381 V CA 2.562 64.552 62.300 -0.517 0.000 1.090 2381 V CB -1.280 30.201 31.823 -0.571 0.000 0.704 2381 V HN 0.678 nan 8.190 nan 0.000 0.455 2382 N N 0.246 118.779 118.700 -0.279 0.000 2.030 2382 N HA -0.106 4.625 4.740 -0.015 0.000 0.194 2382 N C 1.804 177.195 175.510 -0.197 0.000 1.074 2382 N CA 1.996 54.927 53.050 -0.199 0.000 0.860 2382 N CB -0.633 37.758 38.487 -0.160 0.000 1.055 2382 N HN 0.467 nan 8.380 nan 0.000 0.429 2383 I N 0.790 121.246 120.570 -0.190 0.000 2.242 2383 I HA -0.334 3.828 4.170 -0.015 0.000 0.242 2383 I C 1.968 177.942 176.117 -0.238 0.000 0.998 2383 I CA 1.706 62.893 61.300 -0.188 0.000 1.283 2383 I CB -0.794 37.092 38.000 -0.190 0.000 0.985 2383 I HN 0.123 nan 8.210 nan 0.000 0.415 2384 L N 0.070 121.099 121.223 -0.322 0.000 2.145 2384 L HA 0.052 4.383 4.340 -0.015 0.000 0.201 2384 L C 0.727 177.445 176.870 -0.253 0.000 1.075 2384 L CA 1.087 55.690 54.840 -0.395 0.000 0.773 2384 L CB -0.987 40.718 42.059 -0.591 0.000 0.936 2384 L HN 0.315 nan 8.230 nan 0.000 0.451 2385 K N -0.077 120.192 120.400 -0.219 0.000 4.823 2385 K HA -0.108 4.203 4.320 -0.015 0.000 0.357 2385 K C -2.452 174.079 176.600 -0.116 0.000 1.055 2385 K CA 0.015 56.211 56.287 -0.152 0.000 1.110 2385 K CB -1.402 31.030 32.500 -0.113 0.000 1.617 2385 K HN 0.226 nan 8.250 nan 0.000 0.424 2386 P HA 0.102 nan 4.420 nan 0.000 0.290 2386 P C 0.455 177.730 177.300 -0.042 0.000 1.275 2386 P CA -0.541 62.526 63.100 -0.056 0.000 0.841 2386 P CB 1.794 33.471 31.700 -0.039 0.000 1.042 2387 S N 1.182 116.868 115.700 -0.023 0.000 2.406 2387 S HA 0.010 4.472 4.470 -0.015 0.000 0.228 2387 S C 0.733 175.302 174.600 -0.053 0.000 1.020 2387 S CA 0.813 58.993 58.200 -0.032 0.000 0.965 2387 S CB -0.935 62.246 63.200 -0.032 0.000 0.798 2387 S HN 0.576 nan 8.310 nan 0.000 0.488 2388 T N 1.434 115.952 114.554 -0.060 0.000 2.924 2388 T HA 0.752 5.093 4.350 -0.015 0.000 0.291 2388 T C -1.253 173.446 174.700 -0.001 0.000 1.045 2388 T CA -0.574 61.494 62.100 -0.055 0.000 1.015 2388 T CB 1.849 70.635 68.868 -0.136 0.000 1.103 2388 T HN 0.151 nan 8.240 nan 0.000 0.496 2389 I N 1.589 122.201 120.570 0.070 0.000 2.610 2389 I HA 0.558 4.719 4.170 -0.015 0.000 0.289 2389 I C -1.783 174.563 176.117 0.382 0.000 1.163 2389 I CA -1.029 60.391 61.300 0.201 0.000 1.044 2389 I CB 1.343 39.414 38.000 0.118 0.000 1.251 2389 I HN 0.655 nan 8.210 nan 0.000 0.424 2390 I N 6.293 127.154 120.570 0.486 0.000 2.498 2390 I HA 0.608 4.769 4.170 -0.015 0.000 0.290 2390 I C 0.456 176.879 176.117 0.510 0.000 1.032 2390 I CA -0.578 61.067 61.300 0.574 0.000 1.073 2390 I CB 2.185 40.534 38.000 0.582 0.000 1.251 2390 I HN 0.680 nan 8.210 nan 0.000 0.426 2391 G N 5.008 113.935 108.800 0.212 0.000 2.404 2391 G HA2 0.524 4.475 3.960 -0.015 0.000 0.316 2391 G HA3 0.524 4.475 3.960 -0.015 0.000 0.316 2391 G C -0.435 174.379 174.900 -0.143 0.000 1.074 2391 G CA -0.173 44.773 45.100 -0.256 0.000 0.989 2391 G HN 0.410 nan 8.290 nan 0.000 0.430 2392 V N 2.264 122.103 119.914 -0.125 0.000 2.570 2392 V HA 0.406 4.517 4.120 -0.015 0.000 0.271 2392 V C 0.677 176.685 176.094 -0.143 0.000 1.005 2392 V CA 0.175 62.390 62.300 -0.141 0.000 1.111 2392 V CB 0.518 32.228 31.823 -0.189 0.000 1.259 2392 V HN 0.899 nan 8.190 nan 0.000 0.571 2393 A N 0.452 123.188 122.820 -0.140 0.000 2.456 2393 A HA 0.583 4.895 4.320 -0.015 0.000 0.237 2393 A C 1.744 179.265 177.584 -0.105 0.000 1.217 2393 A CA 0.509 52.477 52.037 -0.115 0.000 0.962 2393 A CB 0.285 19.221 19.000 -0.107 0.000 1.079 2393 A HN 1.552 nan 8.150 nan 0.000 0.536 2394 G N -0.323 108.409 108.800 -0.113 0.000 2.379 2394 G HA2 -0.025 3.926 3.960 -0.015 0.000 0.297 2394 G HA3 -0.025 3.926 3.960 -0.015 0.000 0.297 2394 G C 0.664 175.515 174.900 -0.081 0.000 1.004 2394 G CA 0.574 45.617 45.100 -0.095 0.000 0.921 2394 G HN 1.624 nan 8.290 nan 0.000 0.511 2395 A N -0.535 122.233 122.820 -0.086 0.000 2.713 2395 A HA 0.742 5.054 4.320 -0.015 0.000 0.296 2395 A C 1.723 179.278 177.584 -0.050 0.000 1.255 2395 A CA 1.155 53.154 52.037 -0.063 0.000 0.955 2395 A CB -0.243 18.721 19.000 -0.060 0.000 1.149 2395 A HN 2.525 nan 8.150 nan 0.000 0.538 2396 G N 0.500 109.267 108.800 -0.054 0.000 2.584 2396 G HA2 -0.202 3.749 3.960 -0.015 0.000 0.229 2396 G HA3 -0.202 3.749 3.960 -0.015 0.000 0.229 2396 G C -0.297 174.584 174.900 -0.032 0.000 1.320 2396 G CA -0.534 44.547 45.100 -0.031 0.000 0.891 2396 G HN 0.657 nan 8.290 nan 0.000 0.573 2397 R N 0.542 121.048 120.500 0.009 0.000 2.612 2397 R HA 0.338 4.669 4.340 -0.015 0.000 0.273 2397 R C 0.430 176.771 176.300 0.069 0.000 1.376 2397 R CA -0.203 55.921 56.100 0.041 0.000 1.171 2397 R CB 0.067 30.409 30.300 0.070 0.000 1.151 2397 R HN 0.292 nan 8.270 nan 0.000 0.560 2398 L N 0.886 122.142 121.223 0.055 0.000 2.590 2398 L HA 0.191 4.522 4.340 -0.015 0.000 0.227 2398 L C 0.738 177.809 176.870 0.335 0.000 1.099 2398 L CA 0.564 55.486 54.840 0.135 0.000 0.872 2398 L CB 0.087 42.185 42.059 0.064 0.000 1.088 2398 L HN 0.471 nan 8.230 nan 0.000 0.479 2399 F N 1.625 121.628 119.950 0.088 0.000 2.661 2399 F HA 0.054 4.573 4.527 -0.014 0.000 0.356 2399 F C 1.513 177.386 175.800 0.122 0.000 1.244 2399 F CA -0.778 57.309 58.000 0.144 0.000 1.290 2399 F CB -0.162 38.930 39.000 0.154 0.000 1.677 2399 F HN 0.070 nan 8.300 nan 0.000 0.649 2400 T N 0.406 115.130 114.554 0.283 0.000 2.636 2400 T HA -0.047 4.294 4.350 -0.015 0.000 0.348 2400 T C -1.124 173.644 174.700 0.113 0.000 1.076 2400 T CA -1.067 61.131 62.100 0.163 0.000 1.064 2400 T CB 0.942 69.888 68.868 0.130 0.000 0.995 2400 T HN 0.228 nan 8.240 nan 0.000 0.547 2401 P HA 0.037 nan 4.420 nan 0.000 0.220 2401 P C 0.839 178.152 177.300 0.022 0.000 1.152 2401 P CA 0.929 64.051 63.100 0.037 0.000 0.812 2401 P CB 0.060 31.775 31.700 0.025 0.000 0.792 2402 D N 0.157 120.571 120.400 0.024 0.000 2.078 2402 D HA -0.113 4.519 4.640 -0.015 0.000 0.193 2402 D C 2.246 178.537 176.300 -0.015 0.000 0.990 2402 D CA 0.876 54.878 54.000 0.003 0.000 0.827 2402 D CB -1.142 39.662 40.800 0.006 0.000 0.975 2402 D HN -0.123 nan 8.370 nan 0.000 0.451 2403 V N 1.500 121.417 119.914 0.005 0.000 2.215 2403 V HA -0.297 3.814 4.120 -0.015 0.000 0.249 2403 V C 2.530 178.582 176.094 -0.069 0.000 1.054 2403 V CA 1.542 63.823 62.300 -0.032 0.000 1.012 2403 V CB -0.533 31.350 31.823 0.099 0.000 0.639 2403 V HN 0.213 nan 8.190 nan 0.000 0.448 2404 I N 0.285 120.833 120.570 -0.036 0.000 2.064 2404 I HA -0.401 3.760 4.170 -0.015 0.000 0.234 2404 I C 2.746 178.840 176.117 -0.038 0.000 1.019 2404 I CA 2.711 63.985 61.300 -0.044 0.000 1.301 2404 I CB -0.883 37.117 38.000 0.001 0.000 1.017 2404 I HN 0.445 nan 8.210 nan 0.000 0.392 2405 R N 1.872 122.360 120.500 -0.020 0.000 2.294 2405 R HA -0.124 4.207 4.340 -0.015 0.000 0.250 2405 R C 1.061 177.341 176.300 -0.033 0.000 1.181 2405 R CA 1.193 57.282 56.100 -0.018 0.000 1.016 2405 R CB -0.546 29.747 30.300 -0.011 0.000 0.869 2405 R HN 0.376 nan 8.270 nan 0.000 0.476 2409 S N 0.798 116.486 115.700 -0.019 0.000 2.315 2409 S HA 0.010 4.472 4.470 -0.015 0.000 0.211 2409 S C 1.812 176.400 174.600 -0.021 0.000 1.029 2409 S CA 1.369 59.557 58.200 -0.019 0.000 0.956 2409 S CB -0.752 62.431 63.200 -0.028 0.000 0.918 2409 S HN 0.567 nan 8.310 nan 0.000 0.470 2410 I N 2.556 123.104 120.570 -0.036 0.000 2.479 2410 I HA -0.128 4.033 4.170 -0.015 0.000 0.258 2410 I C -0.134 175.968 176.117 -0.024 0.000 1.165 2410 I CA 0.634 61.911 61.300 -0.038 0.000 1.422 2410 I CB -0.705 37.259 38.000 -0.059 0.000 1.087 2410 I HN 0.299 nan 8.210 nan 0.000 0.441 2411 N N 0.332 119.022 118.700 -0.016 0.000 2.314 2411 N HA 0.151 4.883 4.740 -0.015 0.000 0.294 2411 N C 0.489 176.005 175.510 0.010 0.000 1.029 2411 N CA -0.487 52.562 53.050 -0.002 0.000 0.845 2411 N CB 1.683 40.169 38.487 -0.001 0.000 1.321 2411 N HN -0.117 nan 8.380 nan 0.000 0.481 2412 E N 1.171 121.380 120.200 0.015 0.000 2.418 2412 E HA 0.042 4.383 4.350 -0.015 0.000 0.197 2412 E C -0.488 176.130 176.600 0.031 0.000 1.026 2412 E CA 0.925 57.337 56.400 0.021 0.000 0.862 2412 E CB 0.307 30.018 29.700 0.018 0.000 0.799 2412 E HN 0.348 nan 8.360 nan 0.000 0.518 2413 R N 0.312 120.832 120.500 0.033 0.000 3.190 2413 R HA 0.203 4.534 4.340 -0.015 0.000 0.244 2413 R C -2.770 173.559 176.300 0.049 0.000 1.788 2413 R CA -1.366 54.761 56.100 0.046 0.000 1.160 2413 R CB 1.357 31.680 30.300 0.037 0.000 1.494 2413 R HN -0.003 nan 8.270 nan 0.000 0.499 2414 P HA 0.193 nan 4.420 nan 0.000 0.276 2414 P C -0.184 177.178 177.300 0.104 0.000 1.244 2414 P CA -0.471 62.663 63.100 0.056 0.000 0.801 2414 P CB 0.941 32.666 31.700 0.041 0.000 1.006 2415 V N 1.750 121.722 119.914 0.098 0.000 2.357 2415 V HA 0.535 4.647 4.120 -0.015 0.000 0.284 2415 V C 0.156 176.404 176.094 0.257 0.000 1.018 2415 V CA -0.746 61.665 62.300 0.184 0.000 0.841 2415 V CB 0.883 32.748 31.823 0.070 0.000 0.991 2415 V HN 0.410 nan 8.190 nan 0.000 0.437 2416 I N 1.393 122.213 120.570 0.416 0.000 2.498 2416 I HA 0.724 4.885 4.170 -0.015 0.000 0.290 2416 I C -1.833 174.667 176.117 0.639 0.000 1.032 2416 I CA -1.276 60.311 61.300 0.478 0.000 1.073 2416 I CB 1.699 39.929 38.000 0.384 0.000 1.251 2416 I HN 0.430 nan 8.210 nan 0.000 0.426 2417 F N 4.899 125.012 119.950 0.271 0.000 2.553 2417 F HA 0.712 5.230 4.527 -0.015 0.000 0.335 2417 F C 0.244 176.096 175.800 0.087 0.000 1.148 2417 F CA -0.849 57.192 58.000 0.068 0.000 0.963 2417 F CB 2.103 41.154 39.000 0.086 0.000 1.217 2417 F HN 0.731 nan 8.300 nan 0.000 0.441 2418 A N 4.940 127.758 122.820 -0.004 0.000 2.322 2418 A HA 0.596 4.908 4.320 -0.015 0.000 0.327 2418 A C 0.212 177.723 177.584 -0.122 0.000 1.394 2418 A CA -0.369 51.612 52.037 -0.093 0.000 0.921 2418 A CB 0.125 19.136 19.000 0.019 0.000 1.153 2418 A HN 0.654 nan 8.150 nan 0.000 0.523 2419 L N 1.308 122.481 121.223 -0.084 0.000 2.554 2419 L HA 0.149 4.480 4.340 -0.015 0.000 0.225 2419 L C 1.176 177.983 176.870 -0.105 0.000 1.104 2419 L CA 0.467 55.259 54.840 -0.081 0.000 0.866 2419 L CB -1.768 40.285 42.059 -0.009 0.000 1.047 2419 L HN 0.518 nan 8.230 nan 0.000 0.468 2420 S N 1.692 117.318 115.700 -0.122 0.000 2.554 2420 S HA 0.068 4.529 4.470 -0.015 0.000 0.290 2420 S C 0.500 175.032 174.600 -0.113 0.000 1.309 2420 S CA 0.380 58.510 58.200 -0.117 0.000 1.047 2420 S CB 0.280 63.401 63.200 -0.132 0.000 0.828 2420 S HN 0.378 nan 8.310 nan 0.000 0.509 2421 N N 1.919 120.561 118.700 -0.098 0.000 2.357 2421 N HA 0.530 5.261 4.740 -0.015 0.000 0.284 2421 N C -2.724 172.739 175.510 -0.079 0.000 1.236 2421 N CA -1.206 51.786 53.050 -0.096 0.000 0.774 2421 N CB 1.763 40.195 38.487 -0.093 0.000 1.534 2421 N HN 0.270 nan 8.380 nan 0.000 0.478 2422 P HA 0.263 nan 4.420 nan 0.000 0.323 2422 P C 0.446 177.695 177.300 -0.086 0.000 1.309 2422 P CA -0.048 63.003 63.100 -0.081 0.000 0.739 2422 P CB -0.135 31.527 31.700 -0.064 0.000 1.454 2423 T N -1.116 113.384 114.554 -0.089 0.000 3.179 2423 T HA -0.003 4.338 4.350 -0.015 0.000 0.269 2423 T C 1.369 176.073 174.700 0.007 0.000 1.187 2423 T CA 1.294 63.350 62.100 -0.074 0.000 1.054 2423 T CB -0.932 67.922 68.868 -0.024 0.000 0.874 2423 T HN 0.427 nan 8.240 nan 0.000 0.568 2424 A N 0.379 123.190 122.820 -0.014 0.000 2.035 2424 A HA 0.215 4.526 4.320 -0.015 0.000 0.208 2424 A C 2.187 179.767 177.584 -0.007 0.000 1.206 2424 A CA 0.201 52.238 52.037 0.001 0.000 0.773 2424 A CB 0.018 19.011 19.000 -0.012 0.000 0.878 2424 A HN 0.284 nan 8.150 nan 0.000 0.469 2425 Q N -0.239 119.542 119.800 -0.032 0.000 2.396 2425 Q HA 0.461 4.793 4.340 -0.015 0.000 0.209 2425 Q C 0.902 176.867 176.000 -0.059 0.000 0.906 2425 Q CA 0.504 56.279 55.803 -0.047 0.000 0.927 2425 Q CB -0.168 28.532 28.738 -0.064 0.000 1.069 2425 Q HN 0.593 nan 8.270 nan 0.000 0.523 2426 A N 0.736 123.526 122.820 -0.050 0.000 2.639 2426 A HA -0.140 4.171 4.320 -0.015 0.000 0.229 2426 A C 0.815 178.366 177.584 -0.056 0.000 1.062 2426 A CA 0.416 52.427 52.037 -0.045 0.000 0.761 2426 A CB 0.239 19.266 19.000 0.045 0.000 0.988 2426 A HN 0.233 nan 8.150 nan 0.000 0.510 2427 E N -0.912 119.184 120.200 -0.174 0.000 2.427 2427 E HA 0.147 4.488 4.350 -0.015 0.000 0.196 2427 E C 0.562 177.160 176.600 -0.003 0.000 1.028 2427 E CA 1.173 57.381 56.400 -0.320 0.000 0.864 2427 E CB -0.232 28.743 29.700 -1.208 0.000 0.813 2427 E HN 0.967 nan 8.360 nan 0.000 0.514 2428 C N -3.047 116.347 119.300 0.157 0.000 3.241 2428 C HA 0.596 5.047 4.460 -0.015 0.000 0.354 2428 C C -0.504 174.679 174.990 0.321 0.000 1.462 2428 C CA -0.291 58.874 59.018 0.244 0.000 1.169 2428 C CB 0.946 28.888 27.740 0.336 0.000 1.618 2428 C HN 0.220 nan 8.230 nan 0.000 0.429 2429 T N -0.344 114.266 114.554 0.094 0.000 2.950 2429 T HA 0.699 5.040 4.350 -0.015 0.000 0.288 2429 T C 1.139 175.394 174.700 -0.741 0.000 1.035 2429 T CA 0.503 62.464 62.100 -0.232 0.000 1.028 2429 T CB 1.542 70.187 68.868 -0.372 0.000 1.109 2429 T HN 2.295 nan 8.240 nan 0.000 0.514 2430 A N 0.853 122.874 122.820 -1.333 0.000 1.883 2430 A HA -0.041 4.270 4.320 -0.015 0.000 0.217 2430 A C 2.173 179.253 177.584 -0.842 0.000 1.186 2430 A CA 2.278 53.536 52.037 -1.298 0.000 0.624 2430 A CB -1.355 17.212 19.000 -0.722 0.000 0.822 2430 A HN 1.057 nan 8.150 nan 0.000 0.444 2431 E N 0.395 120.268 120.200 -0.544 0.000 2.000 2431 E HA -0.255 4.087 4.350 -0.015 0.000 0.199 2431 E C 1.881 178.337 176.600 -0.241 0.000 1.011 2431 E CA 1.817 58.050 56.400 -0.278 0.000 0.836 2431 E CB -0.382 29.187 29.700 -0.218 0.000 0.778 2431 E HN 0.711 nan 8.360 nan 0.000 0.462 2432 E N 0.537 120.603 120.200 -0.225 0.000 2.253 2432 E HA -0.312 4.029 4.350 -0.015 0.000 0.202 2432 E C 2.018 178.522 176.600 -0.159 0.000 1.014 2432 E CA 0.930 57.247 56.400 -0.138 0.000 0.823 2432 E CB -0.412 29.238 29.700 -0.084 0.000 0.736 2432 E HN 0.397 nan 8.360 nan 0.000 0.478 2433 A N 1.492 124.106 122.820 -0.343 0.000 1.828 2433 A HA -0.166 4.145 4.320 -0.015 0.000 0.215 2433 A C 2.038 179.495 177.584 -0.211 0.000 1.203 2433 A CA 1.416 53.211 52.037 -0.404 0.000 0.614 2433 A CB -1.113 17.244 19.000 -1.070 0.000 0.844 2433 A HN 0.332 nan 8.150 nan 0.000 0.445 2434 Y N 0.671 120.915 120.300 -0.093 0.000 2.163 2434 Y HA -0.198 4.343 4.550 -0.015 0.000 0.288 2434 Y C 3.233 179.145 175.900 0.021 0.000 1.136 2434 Y CA 1.544 59.675 58.100 0.052 0.000 1.147 2434 Y CB -0.686 37.875 38.460 0.169 0.000 0.987 2434 Y HN 0.524 nan 8.280 nan 0.000 0.509 2435 T N -1.297 113.328 114.554 0.118 0.000 2.849 2435 T HA -0.172 4.169 4.350 -0.015 0.000 0.270 2435 T C 1.216 175.932 174.700 0.028 0.000 1.066 2435 T CA 1.141 63.264 62.100 0.038 0.000 1.130 2435 T CB -0.526 68.334 68.868 -0.015 0.000 0.864 2435 T HN 0.115 nan 8.240 nan 0.000 0.481 2436 L N 2.005 123.241 121.223 0.021 0.000 2.629 2436 L HA 0.360 4.691 4.340 -0.015 0.000 0.230 2436 L C 1.888 178.779 176.870 0.035 0.000 1.151 2436 L CA 0.803 55.652 54.840 0.015 0.000 0.924 2436 L CB 0.028 42.086 42.059 -0.002 0.000 1.137 2436 L HN 0.647 nan 8.230 nan 0.000 0.457 2437 T N -6.692 107.906 114.554 0.073 0.000 3.186 2437 T HA 0.153 4.494 4.350 -0.015 0.000 0.292 2437 T C 0.322 175.089 174.700 0.111 0.000 0.915 2437 T CA -0.106 62.048 62.100 0.090 0.000 0.902 2437 T CB 0.374 69.314 68.868 0.120 0.000 1.192 2437 T HN 0.064 nan 8.240 nan 0.000 0.563 2438 E N 0.932 121.201 120.200 0.116 0.000 3.057 2438 E HA -0.162 4.180 4.350 -0.015 0.000 0.296 2438 E C 1.021 177.741 176.600 0.200 0.000 0.943 2438 E CA 0.749 57.215 56.400 0.111 0.000 0.965 2438 E CB -2.390 27.357 29.700 0.077 0.000 1.485 2438 E HN 1.325 nan 8.360 nan 0.000 0.417 2439 G N 0.631 109.626 108.800 0.325 0.000 2.296 2439 G HA2 -0.414 3.538 3.960 -0.015 0.000 0.282 2439 G HA3 -0.414 3.538 3.960 -0.015 0.000 0.282 2439 G C 0.870 175.936 174.900 0.277 0.000 1.014 2439 G CA 0.906 46.352 45.100 0.577 0.000 0.812 2439 G HN 0.387 nan 8.290 nan 0.000 0.508 2440 R N -0.919 119.704 120.500 0.206 0.000 2.312 2440 R HA 0.186 4.517 4.340 -0.015 0.000 0.205 2440 R C 1.875 178.249 176.300 0.123 0.000 0.904 2440 R CA 0.775 56.947 56.100 0.120 0.000 1.052 2440 R CB -0.015 30.341 30.300 0.094 0.000 1.014 2440 R HN 0.755 nan 8.270 nan 0.000 0.503 2441 C N -0.671 118.749 119.300 0.201 0.000 2.325 2441 C HA 0.715 5.166 4.460 -0.015 0.000 0.370 2441 C C -0.096 175.060 174.990 0.277 0.000 1.217 2441 C CA -1.275 57.870 59.018 0.210 0.000 2.254 2441 C CB 0.364 28.230 27.740 0.209 0.000 2.282 2441 C HN 0.095 nan 8.230 nan 0.000 0.564 2442 L N 1.826 123.209 121.223 0.266 0.000 2.343 2442 L HA 0.595 4.927 4.340 -0.015 0.000 0.278 2442 L C -0.408 176.668 176.870 0.343 0.000 0.996 2442 L CA -0.025 54.990 54.840 0.292 0.000 0.831 2442 L CB 1.121 43.303 42.059 0.206 0.000 1.232 2442 L HN 0.796 nan 8.230 nan 0.000 0.413 2443 F N 2.910 122.926 119.950 0.110 0.000 2.556 2443 F HA 0.911 5.429 4.527 -0.015 0.000 0.327 2443 F C -0.543 175.074 175.800 -0.305 0.000 1.059 2443 F CA -0.603 57.324 58.000 -0.121 0.000 0.953 2443 F CB 1.893 40.675 39.000 -0.363 0.000 1.227 2443 F HN 0.470 nan 8.300 nan 0.000 0.478 2444 A N 2.336 124.217 122.820 -1.564 0.000 2.513 2444 A HA 0.605 4.916 4.320 -0.015 0.000 0.296 2444 A C -1.577 175.194 177.584 -1.356 0.000 1.052 2444 A CA -0.401 50.846 52.037 -1.316 0.000 0.714 2444 A CB 0.888 18.771 19.000 -1.860 0.000 1.279 2444 A HN 0.952 nan 8.150 nan 0.000 0.397 2445 S N 0.864 116.155 115.700 -0.682 0.000 2.472 2445 S HA 0.625 5.086 4.470 -0.015 0.000 0.303 2445 S C 0.990 175.426 174.600 -0.273 0.000 1.099 2445 S CA -0.076 57.866 58.200 -0.429 0.000 1.077 2445 S CB 1.722 64.821 63.200 -0.170 0.000 1.031 2445 S HN 1.635 nan 8.310 nan 0.000 0.487 2446 G N 1.643 110.308 108.800 -0.225 0.000 2.448 2446 G HA2 0.107 4.058 3.960 -0.015 0.000 0.218 2446 G HA3 0.107 4.058 3.960 -0.015 0.000 0.218 2446 G C 0.422 175.217 174.900 -0.176 0.000 1.135 2446 G CA 0.281 45.287 45.100 -0.157 0.000 0.784 2446 G HN 0.740 nan 8.290 nan 0.000 0.543 2447 S N 0.592 116.135 115.700 -0.263 0.000 2.745 2447 S HA 0.607 5.068 4.470 -0.015 0.000 0.292 2447 S C -2.865 171.544 174.600 -0.318 0.000 1.133 2447 S CA -1.515 56.514 58.200 -0.286 0.000 0.998 2447 S CB 1.838 64.823 63.200 -0.359 0.000 1.087 2447 S HN -0.046 nan 8.310 nan 0.000 0.551 2448 P HA 0.507 nan 4.420 nan 0.000 0.274 2448 P C -1.151 176.117 177.300 -0.054 0.000 1.231 2448 P CA -0.269 62.785 63.100 -0.077 0.000 0.790 2448 P CB 0.245 31.946 31.700 0.002 0.000 0.951 2449 F N -0.630 119.386 119.950 0.109 0.000 2.650 2449 F HA 0.405 4.924 4.527 -0.014 0.000 0.310 2449 F C 0.607 176.480 175.800 0.123 0.000 1.112 2449 F CA -1.028 57.046 58.000 0.123 0.000 0.986 2449 F CB 2.172 41.285 39.000 0.188 0.000 1.285 2449 F HN 0.315 nan 8.300 nan 0.000 0.440 2450 G N 2.728 111.697 108.800 0.282 0.000 2.507 2450 G HA2 0.549 4.500 3.960 -0.015 0.000 0.271 2450 G HA3 0.549 4.500 3.960 -0.015 0.000 0.271 2450 G C -2.761 172.228 174.900 0.148 0.000 1.189 2450 G CA -1.279 43.922 45.100 0.170 0.000 0.859 2450 G HN 0.194 nan 8.290 nan 0.000 0.542 2451 P HA 0.136 nan 4.420 nan 0.000 0.271 2451 P C -0.488 176.875 177.300 0.104 0.000 1.228 2451 P CA -0.221 62.962 63.100 0.138 0.000 0.797 2451 P CB 0.563 32.321 31.700 0.097 0.000 0.914 2452 V N 1.207 121.182 119.914 0.103 0.000 2.532 2452 V HA 0.237 4.348 4.120 -0.015 0.000 0.294 2452 V C -0.075 175.950 176.094 -0.115 0.000 1.036 2452 V CA -0.584 61.736 62.300 0.033 0.000 0.876 2452 V CB 1.500 33.424 31.823 0.167 0.000 1.012 2452 V HN 0.410 nan 8.190 nan 0.000 0.432 2453 K N 5.301 125.629 120.400 -0.121 0.000 2.211 2453 K HA 0.727 5.038 4.320 -0.015 0.000 0.275 2453 K C -1.227 175.260 176.600 -0.188 0.000 1.024 2453 K CA -0.414 55.762 56.287 -0.184 0.000 0.887 2453 K CB 1.341 33.776 32.500 -0.108 0.000 1.084 2453 K HN 0.539 nan 8.250 nan 0.000 0.463 2454 L N 1.488 122.555 121.223 -0.260 0.000 2.298 2454 L HA 0.369 4.700 4.340 -0.015 0.000 0.268 2454 L C 1.856 178.642 176.870 -0.141 0.000 1.010 2454 L CA -0.789 53.936 54.840 -0.192 0.000 0.812 2454 L CB 0.534 42.455 42.059 -0.229 0.000 1.331 2454 L HN 0.758 nan 8.230 nan 0.000 0.450 2455 T N -3.039 111.455 114.554 -0.099 0.000 2.984 2455 T HA -0.218 4.124 4.350 -0.015 0.000 0.268 2455 T C 0.441 175.100 174.700 -0.069 0.000 1.163 2455 T CA 1.905 63.962 62.100 -0.071 0.000 1.103 2455 T CB -1.039 67.798 68.868 -0.052 0.000 0.798 2455 T HN 0.812 nan 8.240 nan 0.000 0.586 2456 D N -0.835 119.511 120.400 -0.090 0.000 2.571 2456 D HA 0.427 5.058 4.640 -0.015 0.000 0.239 2456 D C 1.108 177.358 176.300 -0.084 0.000 1.267 2456 D CA -0.041 53.915 54.000 -0.074 0.000 0.823 2456 D CB -0.283 40.476 40.800 -0.067 0.000 1.056 2456 D HN 0.425 nan 8.370 nan 0.000 0.494 2457 G N 1.064 109.806 108.800 -0.096 0.000 2.295 2457 G HA2 -0.353 3.598 3.960 -0.015 0.000 0.287 2457 G HA3 -0.353 3.598 3.960 -0.015 0.000 0.287 2457 G C -0.111 174.716 174.900 -0.121 0.000 1.055 2457 G CA -0.429 44.616 45.100 -0.091 0.000 0.922 2457 G HN 0.354 nan 8.290 nan 0.000 0.503 2458 R N -0.378 119.997 120.500 -0.209 0.000 2.288 2458 R HA 0.539 4.870 4.340 -0.015 0.000 0.326 2458 R C 0.411 176.442 176.300 -0.449 0.000 0.959 2458 R CA -0.355 55.550 56.100 -0.325 0.000 0.834 2458 R CB 1.712 31.726 30.300 -0.477 0.000 1.157 2458 R HN 0.577 nan 8.270 nan 0.000 0.470 2459 V N 1.379 121.151 119.914 -0.236 0.000 2.364 2459 V HA 0.560 4.671 4.120 -0.015 0.000 0.272 2459 V C -0.716 175.423 176.094 0.075 0.000 1.036 2459 V CA -0.537 61.684 62.300 -0.131 0.000 0.880 2459 V CB 0.796 32.606 31.823 -0.021 0.000 0.991 2459 V HN 0.428 nan 8.190 nan 0.000 0.460 2460 F N 2.654 122.530 119.950 -0.124 0.000 2.325 2460 F HA 0.509 5.027 4.527 -0.015 0.000 0.369 2460 F C 0.867 176.652 175.800 -0.024 0.000 1.095 2460 F CA -1.020 56.854 58.000 -0.209 0.000 1.082 2460 F CB 1.406 39.998 39.000 -0.680 0.000 1.289 2460 F HN 0.528 nan 8.300 nan 0.000 0.462 2461 T N 6.037 120.718 114.554 0.212 0.000 2.727 2461 T HA 0.264 4.605 4.350 -0.015 0.000 0.295 2461 T C -2.119 172.739 174.700 0.263 0.000 0.915 2461 T CA -1.033 61.192 62.100 0.209 0.000 1.066 2461 T CB 0.837 69.794 68.868 0.149 0.000 0.891 2461 T HN 0.165 nan 8.240 nan 0.000 0.516 2462 P HA 0.399 nan 4.420 nan 0.000 0.288 2462 P C 0.080 177.567 177.300 0.312 0.000 1.291 2462 P CA -0.460 62.913 63.100 0.455 0.000 0.766 2462 P CB 0.513 32.574 31.700 0.602 0.000 1.242 2463 G N -0.811 108.152 108.800 0.272 0.000 2.626 2463 G HA2 0.494 4.445 3.960 -0.015 0.000 0.304 2463 G HA3 0.494 4.445 3.960 -0.015 0.000 0.304 2463 G C -1.556 173.464 174.900 0.200 0.000 1.385 2463 G CA -0.342 44.919 45.100 0.270 0.000 0.957 2463 G HN 0.465 nan 8.290 nan 0.000 0.504 2464 Q N 1.797 121.693 119.800 0.160 0.000 2.314 2464 Q HA 0.579 4.910 4.340 -0.015 0.000 0.259 2464 Q C 0.256 176.090 176.000 -0.277 0.000 0.951 2464 Q CA -0.799 54.986 55.803 -0.030 0.000 0.909 2464 Q CB 1.409 30.157 28.738 0.016 0.000 1.236 2464 Q HN 0.514 nan 8.270 nan 0.000 0.444 2465 G N 3.994 112.514 108.800 -0.468 0.000 2.857 2465 G HA2 0.146 4.097 3.960 -0.015 0.000 0.326 2465 G HA3 0.146 4.097 3.960 -0.015 0.000 0.326 2465 G C -0.612 174.161 174.900 -0.212 0.000 0.950 2465 G CA -0.458 44.210 45.100 -0.720 0.000 1.400 2465 G HN 0.620 nan 8.290 nan 0.000 0.473 2466 N N 0.888 119.539 118.700 -0.083 0.000 2.495 2466 N HA 0.173 4.904 4.740 -0.015 0.000 0.280 2466 N C 1.191 176.714 175.510 0.021 0.000 1.168 2466 N CA -0.814 52.196 53.050 -0.067 0.000 0.978 2466 N CB 1.147 39.528 38.487 -0.177 0.000 1.191 2466 N HN 0.172 nan 8.380 nan 0.000 0.497 2467 N N 0.127 118.893 118.700 0.110 0.000 2.457 2467 N HA -0.076 4.655 4.740 -0.015 0.000 0.180 2467 N C 1.315 176.939 175.510 0.190 0.000 1.050 2467 N CA 0.125 53.317 53.050 0.236 0.000 0.906 2467 N CB -0.049 38.638 38.487 0.332 0.000 0.968 2467 N HN 0.321 nan 8.380 nan 0.000 0.445 2468 V N 0.039 119.970 119.914 0.029 0.000 3.140 2468 V HA -0.214 3.898 4.120 -0.015 0.000 0.269 2468 V C 1.045 176.855 176.094 -0.474 0.000 1.149 2468 V CA 1.398 63.508 62.300 -0.317 0.000 1.162 2468 V CB -0.698 30.977 31.823 -0.246 0.000 0.756 2468 V HN 0.361 nan 8.190 nan 0.000 0.523 2469 Y N -1.376 118.837 120.300 -0.145 0.000 2.395 2469 Y HA -0.027 4.514 4.550 -0.014 0.000 0.293 2469 Y C 1.930 177.754 175.900 -0.128 0.000 1.123 2469 Y CA 0.748 58.784 58.100 -0.107 0.000 1.227 2469 Y CB 0.421 38.869 38.460 -0.020 0.000 1.012 2469 Y HN 0.274 nan 8.280 nan 0.000 0.552 2470 I N -1.699 118.875 120.570 0.006 0.000 4.412 2470 I HA -0.085 4.076 4.170 -0.015 0.000 0.236 2470 I C 2.176 178.226 176.117 -0.112 0.000 1.046 2470 I CA 0.208 61.517 61.300 0.015 0.000 1.677 2470 I CB -1.816 36.292 38.000 0.180 0.000 1.542 2470 I HN 0.160 nan 8.210 nan 0.000 0.459 2471 F N 2.818 122.826 119.950 0.096 0.000 2.094 2471 F HA -0.219 4.299 4.527 -0.015 0.000 0.296 2471 F C -0.968 174.744 175.800 -0.146 0.000 1.070 2471 F CA 1.846 59.904 58.000 0.097 0.000 1.255 2471 F CB -2.979 36.158 39.000 0.229 0.000 1.000 2471 F HN 0.144 nan 8.300 nan 0.000 0.490 2472 P HA 0.057 nan 4.420 nan 0.000 0.218 2472 P C 2.055 179.132 177.300 -0.372 0.000 1.152 2472 P CA 2.052 64.741 63.100 -0.685 0.000 0.826 2472 P CB -0.441 30.800 31.700 -0.764 0.000 0.790 2473 G N -0.045 108.581 108.800 -0.289 0.000 2.404 2473 G HA2 -0.179 3.773 3.960 -0.015 0.000 0.214 2473 G HA3 -0.179 3.773 3.960 -0.015 0.000 0.214 2473 G C 1.659 176.462 174.900 -0.161 0.000 1.189 2473 G CA 0.506 45.499 45.100 -0.178 0.000 0.789 2473 G HN 0.109 nan 8.290 nan 0.000 0.533 2474 V N 1.777 121.594 119.914 -0.162 0.000 2.332 2474 V HA -0.199 3.912 4.120 -0.015 0.000 0.248 2474 V C 3.342 179.306 176.094 -0.217 0.000 1.055 2474 V CA 2.122 64.296 62.300 -0.210 0.000 1.038 2474 V CB -0.858 30.813 31.823 -0.253 0.000 0.651 2474 V HN 0.485 nan 8.190 nan 0.000 0.450 2475 A N -0.245 122.467 122.820 -0.180 0.000 1.865 2475 A HA -0.228 4.083 4.320 -0.015 0.000 0.217 2475 A C 2.169 179.704 177.584 -0.082 0.000 1.191 2475 A CA 2.212 54.190 52.037 -0.099 0.000 0.623 2475 A CB -0.675 18.239 19.000 -0.143 0.000 0.826 2475 A HN 0.446 nan 8.150 nan 0.000 0.444 2476 L N -0.292 120.862 121.223 -0.114 0.000 2.079 2476 L HA -0.094 4.238 4.340 -0.015 0.000 0.210 2476 L C 2.657 179.471 176.870 -0.092 0.000 1.081 2476 L CA 2.130 56.914 54.840 -0.093 0.000 0.752 2476 L CB -0.977 41.019 42.059 -0.105 0.000 0.896 2476 L HN 0.391 nan 8.230 nan 0.000 0.433 2477 A N -1.079 121.682 122.820 -0.099 0.000 1.835 2477 A HA -0.168 4.143 4.320 -0.015 0.000 0.215 2477 A C 2.223 179.754 177.584 -0.089 0.000 1.199 2477 A CA 2.129 54.115 52.037 -0.085 0.000 0.615 2477 A CB -1.281 17.668 19.000 -0.085 0.000 0.838 2477 A HN 0.240 nan 8.150 nan 0.000 0.444 2478 V N 0.367 120.216 119.914 -0.108 0.000 2.527 2478 V HA -0.297 3.814 4.120 -0.015 0.000 0.255 2478 V C 2.309 178.361 176.094 -0.070 0.000 1.081 2478 V CA 2.054 64.293 62.300 -0.101 0.000 1.092 2478 V CB -0.710 31.044 31.823 -0.115 0.000 0.673 2478 V HN 0.530 nan 8.190 nan 0.000 0.470 2479 I N -1.174 119.364 120.570 -0.054 0.000 2.339 2479 I HA -0.105 4.056 4.170 -0.015 0.000 0.245 2479 I C 2.075 178.168 176.117 -0.039 0.000 1.096 2479 I CA 1.179 62.455 61.300 -0.040 0.000 1.408 2479 I CB -0.121 37.859 38.000 -0.034 0.000 1.092 2479 I HN 0.243 nan 8.210 nan 0.000 0.423 2480 L N -0.287 120.906 121.223 -0.049 0.000 2.465 2480 L HA -0.166 4.166 4.340 -0.015 0.000 0.224 2480 L C 2.090 178.993 176.870 0.055 0.000 1.145 2480 L CA 0.476 55.299 54.840 -0.027 0.000 0.834 2480 L CB -0.155 41.824 42.059 -0.133 0.000 0.944 2480 L HN 0.380 nan 8.230 nan 0.000 0.451 2481 C N -0.269 119.021 119.300 -0.016 0.000 2.926 2481 C HA 0.169 4.620 4.460 -0.015 0.000 0.272 2481 C C 1.312 176.266 174.990 -0.059 0.000 1.249 2481 C CA -0.194 58.777 59.018 -0.079 0.000 1.691 2481 C CB -1.320 26.303 27.740 -0.195 0.000 1.983 2481 C HN 0.678 nan 8.230 nan 0.000 0.615 2482 N N 0.438 119.115 118.700 -0.038 0.000 2.714 2482 N HA -0.147 4.584 4.740 -0.015 0.000 0.250 2482 N C -0.286 175.107 175.510 -0.196 0.000 1.117 2482 N CA 0.347 53.370 53.050 -0.046 0.000 0.719 2482 N CB -1.223 37.298 38.487 0.056 0.000 1.081 2482 N HN 0.470 nan 8.380 nan 0.000 0.557 2483 T N -0.204 114.227 114.554 -0.205 0.000 2.932 2483 T HA 0.239 4.580 4.350 -0.015 0.000 0.312 2483 T C 1.744 176.269 174.700 -0.292 0.000 1.071 2483 T CA 0.781 62.707 62.100 -0.291 0.000 1.128 2483 T CB 1.181 69.950 68.868 -0.165 0.000 0.984 2483 T HN 0.560 nan 8.240 nan 0.000 0.549 2484 R N 1.304 121.595 120.500 -0.348 0.000 2.237 2484 R HA 0.245 4.576 4.340 -0.015 0.000 0.195 2484 R C 0.400 176.752 176.300 0.086 0.000 0.956 2484 R CA 0.843 56.873 56.100 -0.117 0.000 1.029 2484 R CB -0.405 29.837 30.300 -0.097 0.000 0.972 2484 R HN 0.851 nan 8.270 nan 0.000 0.493 2485 H N -1.423 117.593 119.070 -0.090 0.000 3.016 2485 H HA 0.606 5.154 4.556 -0.014 0.000 0.362 2485 H C -0.910 174.417 175.328 -0.001 0.000 1.233 2485 H CA -0.990 55.061 56.048 0.005 0.000 1.124 2485 H CB 1.744 31.522 29.762 0.027 0.000 1.850 2485 H HN 0.156 nan 8.280 nan 0.000 0.549 2486 I N 0.738 121.407 120.570 0.165 0.000 2.390 2486 I HA 0.446 4.608 4.170 -0.015 0.000 0.283 2486 I C -0.076 176.120 176.117 0.132 0.000 1.016 2486 I CA -0.829 60.507 61.300 0.059 0.000 1.151 2486 I CB 1.246 39.251 38.000 0.009 0.000 1.293 2486 I HN 0.497 nan 8.210 nan 0.000 0.458 2487 S N 2.646 118.391 115.700 0.074 0.000 2.652 2487 S HA 0.258 4.719 4.470 -0.015 0.000 0.270 2487 S C 0.551 175.239 174.600 0.146 0.000 1.243 2487 S CA -0.534 57.747 58.200 0.136 0.000 0.999 2487 S CB 1.871 65.142 63.200 0.117 0.000 0.973 2487 S HN 0.568 nan 8.310 nan 0.000 0.544 2488 D N 1.570 122.125 120.400 0.258 0.000 2.144 2488 D HA -0.102 4.529 4.640 -0.015 0.000 0.199 2488 D C 2.185 178.614 176.300 0.214 0.000 0.984 2488 D CA 1.773 55.992 54.000 0.364 0.000 0.834 2488 D CB -0.830 40.134 40.800 0.274 0.000 0.955 2488 D HN 0.716 nan 8.370 nan 0.000 0.465 2489 S N 0.204 115.982 115.700 0.130 0.000 2.440 2489 S HA -0.141 4.320 4.470 -0.015 0.000 0.240 2489 S C 2.163 176.708 174.600 -0.093 0.000 1.014 2489 S CA 0.839 59.087 58.200 0.080 0.000 0.980 2489 S CB -0.659 62.643 63.200 0.170 0.000 0.775 2489 S HN 0.156 nan 8.310 nan 0.000 0.499 2490 V N 0.547 120.361 119.914 -0.166 0.000 2.379 2490 V HA -0.050 4.062 4.120 -0.015 0.000 0.245 2490 V C 2.105 177.912 176.094 -0.480 0.000 1.044 2490 V CA 1.541 63.578 62.300 -0.438 0.000 1.036 2490 V CB -1.130 30.352 31.823 -0.570 0.000 0.664 2490 V HN 0.466 nan 8.190 nan 0.000 0.453 2491 F N -0.038 119.870 119.950 -0.069 0.000 2.206 2491 F HA -0.023 4.495 4.527 -0.015 0.000 0.298 2491 F C 2.202 177.980 175.800 -0.038 0.000 1.090 2491 F CA 1.450 59.427 58.000 -0.038 0.000 1.323 2491 F CB -0.437 38.580 39.000 0.028 0.000 1.028 2491 F HN 0.061 nan 8.300 nan 0.000 0.492 2492 L N 0.488 121.788 121.223 0.128 0.000 2.083 2492 L HA -0.219 4.112 4.340 -0.015 0.000 0.209 2492 L C 2.374 179.222 176.870 -0.037 0.000 1.083 2492 L CA 1.859 56.739 54.840 0.066 0.000 0.752 2492 L CB -0.341 41.758 42.059 0.067 0.000 0.899 2492 L HN 0.179 nan 8.230 nan 0.000 0.433 2493 E N 0.200 120.292 120.200 -0.180 0.000 2.158 2493 E HA -0.122 4.219 4.350 -0.015 0.000 0.191 2493 E C 2.020 178.500 176.600 -0.201 0.000 0.982 2493 E CA 1.176 57.399 56.400 -0.293 0.000 0.823 2493 E CB -0.158 29.087 29.700 -0.759 0.000 0.766 2493 E HN 0.548 nan 8.360 nan 0.000 0.468 2494 A N 1.418 124.140 122.820 -0.164 0.000 1.883 2494 A HA -0.098 4.214 4.320 -0.015 0.000 0.217 2494 A C 2.486 180.066 177.584 -0.006 0.000 1.186 2494 A CA 2.148 54.138 52.037 -0.079 0.000 0.624 2494 A CB -1.320 17.670 19.000 -0.017 0.000 0.822 2494 A HN 0.446 nan 8.150 nan 0.000 0.444 2495 A N 0.394 123.236 122.820 0.036 0.000 1.859 2495 A HA -0.295 4.016 4.320 -0.015 0.000 0.218 2495 A C 2.086 179.680 177.584 0.018 0.000 1.242 2495 A CA 2.320 54.391 52.037 0.057 0.000 0.661 2495 A CB -0.832 18.210 19.000 0.069 0.000 0.842 2495 A HN 0.565 nan 8.150 nan 0.000 0.455 2496 K N -0.497 119.900 120.400 -0.004 0.000 2.049 2496 K HA -0.292 4.019 4.320 -0.015 0.000 0.219 2496 K C 2.301 178.890 176.600 -0.019 0.000 1.056 2496 K CA 1.662 57.941 56.287 -0.014 0.000 0.946 2496 K CB -0.863 31.623 32.500 -0.023 0.000 0.723 2496 K HN 0.517 nan 8.250 nan 0.000 0.453 2497 A N 2.009 124.811 122.820 -0.030 0.000 1.909 2497 A HA -0.250 4.061 4.320 -0.015 0.000 0.221 2497 A C 2.204 179.778 177.584 -0.016 0.000 1.223 2497 A CA 2.057 54.079 52.037 -0.025 0.000 0.658 2497 A CB -0.870 18.107 19.000 -0.038 0.000 0.831 2497 A HN 0.322 nan 8.150 nan 0.000 0.462 2498 L N -0.846 120.372 121.223 -0.008 0.000 1.921 2498 L HA -0.135 4.196 4.340 -0.015 0.000 0.219 2498 L C 2.439 179.286 176.870 -0.039 0.000 1.081 2498 L CA 3.037 57.870 54.840 -0.012 0.000 0.771 2498 L CB -1.466 40.603 42.059 0.017 0.000 0.888 2498 L HN 0.390 nan 8.230 nan 0.000 0.433 2499 T N -0.144 114.383 114.554 -0.044 0.000 2.649 2499 T HA -0.224 4.118 4.350 -0.015 0.000 0.268 2499 T C 1.515 176.182 174.700 -0.055 0.000 1.036 2499 T CA 1.796 63.851 62.100 -0.075 0.000 1.157 2499 T CB -0.497 68.328 68.868 -0.071 0.000 0.861 2499 T HN 0.536 nan 8.240 nan 0.000 0.445 2500 S N 1.298 116.978 115.700 -0.034 0.000 2.988 2500 S HA 0.009 4.470 4.470 -0.015 0.000 0.237 2500 S C 1.315 175.903 174.600 -0.020 0.000 0.989 2500 S CA 0.309 58.496 58.200 -0.022 0.000 1.054 2500 S CB -0.193 62.999 63.200 -0.013 0.000 0.818 2500 S HN 0.472 nan 8.310 nan 0.000 0.526 2501 Q N -0.213 119.569 119.800 -0.030 0.000 2.164 2501 Q HA 0.256 4.588 4.340 -0.015 0.000 0.226 2501 Q C -0.534 175.451 176.000 -0.026 0.000 0.813 2501 Q CA -0.209 55.580 55.803 -0.022 0.000 0.978 2501 Q CB 0.347 29.072 28.738 -0.022 0.000 1.149 2501 Q HN 0.338 nan 8.270 nan 0.000 0.489 2502 L N 3.380 124.579 121.223 -0.039 0.000 2.385 2502 L HA 0.114 4.445 4.340 -0.015 0.000 0.281 2502 L C 0.710 177.566 176.870 -0.024 0.000 1.106 2502 L CA 0.468 55.284 54.840 -0.040 0.000 0.856 2502 L CB 0.491 42.512 42.059 -0.065 0.000 1.186 2502 L HN 0.092 nan 8.230 nan 0.000 0.453 2503 T N -0.331 114.216 114.554 -0.013 0.000 2.926 2503 T HA 0.085 4.426 4.350 -0.015 0.000 0.307 2503 T C 1.037 175.731 174.700 -0.010 0.000 1.059 2503 T CA -0.222 61.874 62.100 -0.007 0.000 1.122 2503 T CB 0.506 69.375 68.868 0.001 0.000 0.972 2503 T HN 0.622 nan 8.240 nan 0.000 0.545 2504 D N 1.136 121.531 120.400 -0.009 0.000 2.158 2504 D HA -0.182 4.449 4.640 -0.015 0.000 0.197 2504 D C 2.072 178.366 176.300 -0.010 0.000 0.995 2504 D CA 1.468 55.462 54.000 -0.011 0.000 0.846 2504 D CB -0.021 40.775 40.800 -0.007 0.000 0.941 2504 D HN 0.831 nan 8.370 nan 0.000 0.456 2505 E N 1.385 121.583 120.200 -0.003 0.000 2.150 2505 E HA -0.214 4.127 4.350 -0.015 0.000 0.193 2505 E C 1.781 178.382 176.600 0.002 0.000 0.985 2505 E CA 0.939 57.341 56.400 0.002 0.000 0.814 2505 E CB -0.514 29.192 29.700 0.008 0.000 0.752 2505 E HN 0.393 nan 8.360 nan 0.000 0.466 2506 E N 0.339 120.540 120.200 0.001 0.000 2.077 2506 E HA -0.103 4.238 4.350 -0.015 0.000 0.193 2506 E C 2.044 178.637 176.600 -0.012 0.000 0.989 2506 E CA 0.644 57.046 56.400 0.004 0.000 0.800 2506 E CB 0.044 29.744 29.700 0.001 0.000 0.746 2506 E HN 0.086 nan 8.360 nan 0.000 0.452 2507 L N 0.323 121.532 121.223 -0.024 0.000 2.017 2507 L HA -0.130 4.202 4.340 -0.015 0.000 0.208 2507 L C 2.380 179.218 176.870 -0.053 0.000 1.073 2507 L CA 1.830 56.646 54.840 -0.040 0.000 0.745 2507 L CB -1.599 40.439 42.059 -0.036 0.000 0.894 2507 L HN 0.150 nan 8.230 nan 0.000 0.432 2508 A N -0.687 122.112 122.820 -0.036 0.000 1.865 2508 A HA -0.279 4.032 4.320 -0.015 0.000 0.217 2508 A C 2.174 179.731 177.584 -0.046 0.000 1.191 2508 A CA 1.741 53.757 52.037 -0.035 0.000 0.623 2508 A CB -0.654 18.341 19.000 -0.008 0.000 0.826 2508 A HN 0.510 nan 8.150 nan 0.000 0.444 2509 Q N -2.101 117.689 119.800 -0.015 0.000 2.197 2509 Q HA -0.057 4.274 4.340 -0.015 0.000 0.207 2509 Q C 1.451 177.422 176.000 -0.048 0.000 0.984 2509 Q CA 1.190 56.999 55.803 0.009 0.000 0.869 2509 Q CB -0.264 28.494 28.738 0.034 0.000 0.906 2509 Q HN 1.058 nan 8.270 nan 0.000 0.426 2510 G N 0.724 109.466 108.800 -0.096 0.000 2.179 2510 G HA2 -0.264 3.688 3.960 -0.015 0.000 0.220 2510 G HA3 -0.264 3.688 3.960 -0.015 0.000 0.220 2510 G C -0.315 174.571 174.900 -0.022 0.000 0.990 2510 G CA 0.029 45.034 45.100 -0.159 0.000 0.646 2510 G HN 0.351 nan 8.290 nan 0.000 0.517 2511 R N 0.044 120.557 120.500 0.022 0.000 2.340 2511 R HA 0.664 4.996 4.340 -0.015 0.000 0.300 2511 R C 0.420 176.714 176.300 -0.009 0.000 1.069 2511 R CA -0.541 55.597 56.100 0.064 0.000 0.984 2511 R CB 0.639 30.997 30.300 0.097 0.000 1.003 2511 R HN 0.059 nan 8.270 nan 0.000 0.459 2512 L N 3.101 124.287 121.223 -0.062 0.000 2.851 2512 L HA 0.318 4.649 4.340 -0.015 0.000 0.237 2512 L C -0.939 175.528 176.870 -0.671 0.000 1.257 2512 L CA 0.110 54.772 54.840 -0.297 0.000 1.061 2512 L CB -0.832 41.042 42.059 -0.310 0.000 1.372 2512 L HN 0.628 nan 8.230 nan 0.000 0.493 2513 Y N -1.671 118.588 120.300 -0.070 0.000 2.390 2513 Y HA 0.350 4.892 4.550 -0.014 0.000 0.324 2513 Y C -2.397 173.392 175.900 -0.184 0.000 1.151 2513 Y CA -2.346 55.623 58.100 -0.219 0.000 1.053 2513 Y CB 1.538 39.860 38.460 -0.230 0.000 1.277 2513 Y HN -0.093 nan 8.280 nan 0.000 0.432 2514 P HA 0.001 nan 4.420 nan 0.000 0.262 2514 P C -2.490 174.884 177.300 0.123 0.000 1.182 2514 P CA -0.682 62.413 63.100 -0.008 0.000 0.761 2514 P CB -0.056 31.628 31.700 -0.027 0.000 0.795 2515 P HA -0.122 nan 4.420 nan 0.000 0.259 2515 P C 0.726 178.147 177.300 0.203 0.000 1.155 2515 P CA 0.165 63.359 63.100 0.156 0.000 0.759 2515 P CB 0.342 32.103 31.700 0.102 0.000 0.753 2516 L N 3.281 124.636 121.223 0.220 0.000 2.642 2516 L HA -0.105 4.226 4.340 -0.015 0.000 0.236 2516 L C 2.121 179.039 176.870 0.080 0.000 1.169 2516 L CA 1.232 56.163 54.840 0.152 0.000 0.851 2516 L CB -1.689 40.417 42.059 0.079 0.000 0.968 2516 L HN 0.411 nan 8.230 nan 0.000 0.453 2517 A N -0.145 122.726 122.820 0.085 0.000 1.970 2517 A HA -0.078 4.233 4.320 -0.015 0.000 0.216 2517 A C 1.258 178.870 177.584 0.047 0.000 1.170 2517 A CA 1.003 53.073 52.037 0.055 0.000 0.645 2517 A CB -0.450 18.581 19.000 0.052 0.000 0.816 2517 A HN 0.613 nan 8.150 nan 0.000 0.447 2518 N N -0.083 118.656 118.700 0.065 0.000 2.671 2518 N HA 0.247 4.979 4.740 -0.015 0.000 0.303 2518 N C 0.487 176.036 175.510 0.064 0.000 1.351 2518 N CA -0.291 52.790 53.050 0.052 0.000 0.991 2518 N CB 0.500 39.016 38.487 0.048 0.000 1.307 2518 N HN 0.229 nan 8.380 nan 0.000 0.512 2519 I N 0.764 121.364 120.570 0.050 0.000 2.454 2519 I HA -0.248 3.914 4.170 -0.015 0.000 0.254 2519 I C 1.758 177.874 176.117 -0.003 0.000 1.156 2519 I CA 1.356 62.675 61.300 0.032 0.000 1.433 2519 I CB -0.239 37.719 38.000 -0.071 0.000 1.082 2519 I HN 0.344 nan 8.210 nan 0.000 0.432 2520 Q N 0.711 120.505 119.800 -0.011 0.000 1.732 2520 Q HA -0.236 4.095 4.340 -0.015 0.000 0.350 2520 Q C 1.925 177.914 176.000 -0.018 0.000 0.976 2520 Q CA 1.824 57.612 55.803 -0.026 0.000 0.895 2520 Q CB -0.845 27.880 28.738 -0.022 0.000 0.934 2520 Q HN 0.615 nan 8.270 nan 0.000 0.413 2521 E N 0.997 121.192 120.200 -0.008 0.000 2.172 2521 E HA -0.280 4.061 4.350 -0.015 0.000 0.213 2521 E C 2.122 178.723 176.600 0.002 0.000 1.051 2521 E CA 2.134 58.531 56.400 -0.004 0.000 0.860 2521 E CB -0.861 28.841 29.700 0.003 0.000 0.755 2521 E HN 0.181 nan 8.360 nan 0.000 0.462 2522 V N 1.613 121.540 119.914 0.021 0.000 2.278 2522 V HA -0.309 3.802 4.120 -0.015 0.000 0.251 2522 V C 2.590 178.693 176.094 0.014 0.000 1.062 2522 V CA 2.329 64.650 62.300 0.035 0.000 1.038 2522 V CB -0.571 31.309 31.823 0.095 0.000 0.646 2522 V HN 0.334 nan 8.190 nan 0.000 0.447 2523 S N -0.557 115.138 115.700 -0.008 0.000 2.371 2523 S HA -0.038 4.423 4.470 -0.015 0.000 0.224 2523 S C 1.866 176.431 174.600 -0.057 0.000 1.029 2523 S CA 1.279 59.446 58.200 -0.054 0.000 0.978 2523 S CB -0.297 62.838 63.200 -0.108 0.000 0.833 2523 S HN 0.468 nan 8.310 nan 0.000 0.466 2524 I N 2.412 122.955 120.570 -0.045 0.000 2.286 2524 I HA -0.182 3.979 4.170 -0.015 0.000 0.248 2524 I C 2.279 178.379 176.117 -0.028 0.000 1.115 2524 I CA 0.957 62.232 61.300 -0.042 0.000 1.392 2524 I CB -0.255 37.724 38.000 -0.034 0.000 1.065 2524 I HN 0.323 nan 8.210 nan 0.000 0.418 2525 N N 0.534 119.225 118.700 -0.016 0.000 2.092 2525 N HA -0.121 4.611 4.740 -0.015 0.000 0.189 2525 N C 2.037 177.541 175.510 -0.009 0.000 1.040 2525 N CA 1.486 54.533 53.050 -0.005 0.000 0.845 2525 N CB -0.123 38.364 38.487 0.001 0.000 1.017 2525 N HN 0.224 nan 8.380 nan 0.000 0.426 2526 I N 1.905 122.465 120.570 -0.017 0.000 2.236 2526 I HA -0.328 3.833 4.170 -0.015 0.000 0.249 2526 I C 2.440 178.535 176.117 -0.038 0.000 1.102 2526 I CA 0.994 62.278 61.300 -0.028 0.000 1.365 2526 I CB -0.406 37.573 38.000 -0.034 0.000 1.051 2526 I HN 0.134 nan 8.210 nan 0.000 0.420 2527 A N 1.791 124.584 122.820 -0.045 0.000 1.836 2527 A HA -0.226 4.085 4.320 -0.015 0.000 0.215 2527 A C 2.134 179.710 177.584 -0.012 0.000 1.214 2527 A CA 2.038 54.046 52.037 -0.049 0.000 0.636 2527 A CB -0.887 18.077 19.000 -0.060 0.000 0.847 2527 A HN 0.282 nan 8.150 nan 0.000 0.451 2528 I N 0.009 120.583 120.570 0.008 0.000 2.720 2528 I HA -0.410 3.751 4.170 -0.015 0.000 0.208 2528 I C 2.158 178.317 176.117 0.070 0.000 0.908 2528 I CA 2.477 63.809 61.300 0.053 0.000 1.222 2528 I CB -1.809 36.220 38.000 0.048 0.000 0.933 2528 I HN 0.410 nan 8.210 nan 0.000 0.360 2529 K N 0.356 120.787 120.400 0.052 0.000 2.277 2529 K HA -0.204 4.107 4.320 -0.015 0.000 0.206 2529 K C 1.994 178.639 176.600 0.075 0.000 1.044 2529 K CA 1.636 57.958 56.287 0.059 0.000 0.932 2529 K CB -0.571 31.944 32.500 0.025 0.000 0.726 2529 K HN 0.417 nan 8.250 nan 0.000 0.473 2530 V N 0.520 120.460 119.914 0.044 0.000 2.685 2530 V HA -0.131 3.980 4.120 -0.015 0.000 0.244 2530 V C 2.679 178.836 176.094 0.106 0.000 1.054 2530 V CA 1.862 64.189 62.300 0.045 0.000 1.076 2530 V CB -0.264 31.527 31.823 -0.053 0.000 0.725 2530 V HN 0.492 nan 8.190 nan 0.000 0.467 2531 T N -0.685 113.916 114.554 0.079 0.000 2.867 2531 T HA -0.208 4.133 4.350 -0.015 0.000 0.268 2531 T C 1.577 176.380 174.700 0.172 0.000 1.057 2531 T CA 1.908 64.054 62.100 0.077 0.000 1.136 2531 T CB -0.192 68.757 68.868 0.135 0.000 0.874 2531 T HN 0.606 nan 8.240 nan 0.000 0.466 2532 E N -0.042 120.292 120.200 0.223 0.000 2.007 2532 E HA -0.096 4.245 4.350 -0.015 0.000 0.194 2532 E C 1.899 178.633 176.600 0.224 0.000 0.999 2532 E CA 1.491 58.045 56.400 0.256 0.000 0.811 2532 E CB -0.518 29.292 29.700 0.183 0.000 0.762 2532 E HN 0.663 nan 8.360 nan 0.000 0.450 2533 Y N 1.953 122.296 120.300 0.072 0.000 2.062 2533 Y HA -0.344 4.197 4.550 -0.015 0.000 0.276 2533 Y C 2.020 177.946 175.900 0.044 0.000 1.189 2533 Y CA 1.795 59.921 58.100 0.043 0.000 1.130 2533 Y CB -0.503 37.959 38.460 0.004 0.000 0.959 2533 Y HN -0.026 nan 8.280 nan 0.000 0.499 2534 L N -1.102 120.136 121.223 0.025 0.000 1.990 2534 L HA -0.327 4.004 4.340 -0.015 0.000 0.213 2534 L C 2.393 179.199 176.870 -0.106 0.000 1.072 2534 L CA 2.151 56.923 54.840 -0.114 0.000 0.755 2534 L CB -1.015 40.992 42.059 -0.086 0.000 0.889 2534 L HN 0.319 nan 8.230 nan 0.000 0.432 2535 Y N -0.663 119.628 120.300 -0.015 0.000 2.097 2535 Y HA -0.371 4.170 4.550 -0.015 0.000 0.282 2535 Y C 2.638 178.507 175.900 -0.051 0.000 1.152 2535 Y CA 1.042 59.141 58.100 -0.002 0.000 1.136 2535 Y CB -0.415 38.056 38.460 0.018 0.000 0.975 2535 Y HN 0.226 nan 8.280 nan 0.000 0.498 2536 A N 0.626 123.507 122.820 0.100 0.000 1.884 2536 A HA -0.280 4.031 4.320 -0.015 0.000 0.219 2536 A C 1.725 179.267 177.584 -0.069 0.000 1.197 2536 A CA 2.204 54.240 52.037 -0.000 0.000 0.637 2536 A CB -1.059 17.926 19.000 -0.024 0.000 0.827 2536 A HN 0.607 nan 8.150 nan 0.000 0.450 2537 N N -0.123 118.455 118.700 -0.204 0.000 2.501 2537 N HA 0.050 4.781 4.740 -0.015 0.000 0.195 2537 N C -0.347 175.113 175.510 -0.085 0.000 1.213 2537 N CA 0.404 53.334 53.050 -0.201 0.000 0.864 2537 N CB -0.047 38.198 38.487 -0.403 0.000 0.999 2537 N HN 0.396 nan 8.380 nan 0.000 0.454 2541 F N 1.067 121.021 119.950 0.007 0.000 2.704 2541 F HA 0.200 4.718 4.527 -0.015 0.000 0.304 2541 F C 1.572 177.469 175.800 0.161 0.000 1.094 2541 F CA -0.626 57.435 58.000 0.101 0.000 1.275 2541 F CB 0.440 39.498 39.000 0.096 0.000 1.073 2541 F HN 0.550 nan 8.300 nan 0.000 0.586 2542 R N 2.680 123.357 120.500 0.295 0.000 2.488 2542 R HA -0.078 4.254 4.340 -0.015 0.000 0.317 2542 R C -1.166 175.315 176.300 0.302 0.000 0.941 2542 R CA 0.430 56.667 56.100 0.228 0.000 1.076 2542 R CB -0.467 29.947 30.300 0.190 0.000 0.917 2542 R HN 0.351 nan 8.270 nan 0.000 0.407 2543 Y N 4.279 124.676 120.300 0.163 0.000 2.509 2543 Y HA 0.747 5.288 4.550 -0.014 0.000 0.341 2543 Y C -2.403 173.536 175.900 0.065 0.000 1.038 2543 Y CA -2.500 55.664 58.100 0.107 0.000 1.089 2543 Y CB 1.258 39.762 38.460 0.074 0.000 1.241 2543 Y HN 0.450 nan 8.280 nan 0.000 0.468 2544 P HA 0.218 nan 4.420 nan 0.000 0.287 2544 P C -1.180 176.147 177.300 0.046 0.000 1.270 2544 P CA -0.719 62.528 63.100 0.244 0.000 0.844 2544 P CB 1.658 33.462 31.700 0.173 0.000 1.068 2545 E N 2.778 122.954 120.200 -0.041 0.000 2.534 2545 E HA 0.011 4.353 4.350 -0.015 0.000 0.264 2545 E C -1.812 174.584 176.600 -0.341 0.000 0.981 2545 E CA -0.919 55.265 56.400 -0.361 0.000 0.948 2545 E CB 0.049 29.390 29.700 -0.599 0.000 0.934 2545 E HN 0.284 nan 8.360 nan 0.000 0.459 2546 P HA 0.121 nan 4.420 nan 0.000 0.283 2546 P C -0.239 176.907 177.300 -0.257 0.000 1.278 2546 P CA -0.364 62.535 63.100 -0.336 0.000 0.834 2546 P CB 1.383 32.777 31.700 -0.509 0.000 1.150 2547 E N -0.236 119.875 120.200 -0.149 0.000 2.127 2547 E HA -0.065 4.276 4.350 -0.015 0.000 0.191 2547 E C -0.319 176.249 176.600 -0.054 0.000 0.964 2547 E CA 0.654 56.993 56.400 -0.101 0.000 0.832 2547 E CB 0.095 29.756 29.700 -0.064 0.000 0.790 2547 E HN 0.357 nan 8.360 nan 0.000 0.465 2548 D N 0.791 121.179 120.400 -0.019 0.000 2.518 2548 D HA 0.095 4.726 4.640 -0.015 0.000 0.230 2548 D C 0.449 176.813 176.300 0.106 0.000 1.138 2548 D CA -0.190 53.831 54.000 0.035 0.000 0.964 2548 D CB 0.644 41.467 40.800 0.039 0.000 1.011 2548 D HN -0.179 nan 8.370 nan 0.000 0.517 2549 K N 1.658 122.134 120.400 0.127 0.000 2.113 2549 K HA -0.105 4.206 4.320 -0.015 0.000 0.208 2549 K C 1.790 178.530 176.600 0.234 0.000 1.047 2549 K CA 1.299 57.748 56.287 0.271 0.000 0.928 2549 K CB -0.471 32.177 32.500 0.246 0.000 0.716 2549 K HN 0.411 nan 8.250 nan 0.000 0.446 2550 A N 1.592 124.493 122.820 0.136 0.000 1.837 2550 A HA -0.270 4.041 4.320 -0.015 0.000 0.216 2550 A C 2.121 179.760 177.584 0.091 0.000 1.210 2550 A CA 2.222 54.313 52.037 0.090 0.000 0.632 2550 A CB -0.701 18.335 19.000 0.061 0.000 0.843 2550 A HN 0.307 nan 8.150 nan 0.000 0.448 2551 K N -1.612 118.843 120.400 0.092 0.000 2.280 2551 K HA -0.205 4.106 4.320 -0.015 0.000 0.202 2551 K C 1.764 178.448 176.600 0.140 0.000 1.047 2551 K CA 1.655 57.994 56.287 0.086 0.000 0.942 2551 K CB -0.361 32.181 32.500 0.071 0.000 0.739 2551 K HN 0.566 nan 8.250 nan 0.000 0.457 2552 Y N 1.974 122.294 120.300 0.033 0.000 2.079 2552 Y HA -0.265 4.276 4.550 -0.015 0.000 0.267 2552 Y C 2.158 178.082 175.900 0.041 0.000 1.104 2552 Y CA 1.742 59.869 58.100 0.045 0.000 1.086 2552 Y CB -0.976 37.526 38.460 0.071 0.000 0.989 2552 Y HN -0.160 nan 8.280 nan 0.000 0.477 2553 V N 1.406 121.209 119.914 -0.184 0.000 2.218 2553 V HA -0.438 3.673 4.120 -0.015 0.000 0.251 2553 V C 2.346 178.346 176.094 -0.156 0.000 1.057 2553 V CA 2.938 65.058 62.300 -0.301 0.000 1.022 2553 V CB -1.039 30.709 31.823 -0.125 0.000 0.645 2553 V HN 0.416 nan 8.190 nan 0.000 0.451 2554 K N -0.517 119.847 120.400 -0.060 0.000 2.304 2554 K HA -0.285 4.027 4.320 -0.015 0.000 0.204 2554 K C 2.063 178.640 176.600 -0.039 0.000 1.044 2554 K CA 1.968 58.231 56.287 -0.038 0.000 0.932 2554 K CB -0.229 32.265 32.500 -0.009 0.000 0.735 2554 K HN 0.609 nan 8.250 nan 0.000 0.468 2555 E N -0.066 120.112 120.200 -0.036 0.000 2.170 2555 E HA -0.052 4.289 4.350 -0.015 0.000 0.191 2555 E C 1.664 178.242 176.600 -0.037 0.000 0.981 2555 E CA 0.449 56.839 56.400 -0.017 0.000 0.830 2555 E CB 0.240 29.959 29.700 0.031 0.000 0.775 2555 E HN 0.104 nan 8.360 nan 0.000 0.470 2556 R N 0.753 121.198 120.500 -0.092 0.000 2.307 2556 R HA 0.007 4.339 4.340 -0.015 0.000 0.199 2556 R C 0.309 176.585 176.300 -0.040 0.000 1.000 2556 R CA 0.512 56.562 56.100 -0.084 0.000 1.023 2556 R CB -0.090 30.097 30.300 -0.188 0.000 0.908 2556 R HN 0.130 nan 8.270 nan 0.000 0.473 2557 T N -2.123 112.408 114.554 -0.039 0.000 2.932 2557 T HA -0.041 4.300 4.350 -0.015 0.000 0.312 2557 T C -0.275 174.453 174.700 0.046 0.000 1.071 2557 T CA -0.647 61.452 62.100 -0.003 0.000 1.128 2557 T CB 0.853 69.703 68.868 -0.030 0.000 0.984 2557 T HN 0.252 nan 8.240 nan 0.000 0.549 2558 W N 2.582 123.831 121.300 -0.085 0.000 2.316 2558 W HA 0.589 5.239 4.660 -0.016 0.000 0.311 2558 W C -0.107 176.364 176.519 -0.081 0.000 1.217 2558 W CA -1.097 56.202 57.345 -0.077 0.000 1.199 2558 W CB 0.707 30.111 29.460 -0.092 0.000 1.202 2558 W HN 0.576 nan 8.180 nan 0.000 0.528 2559 R N 2.264 122.179 120.500 -0.976 0.000 2.664 2559 R HA 0.265 4.596 4.340 -0.015 0.000 0.286 2559 R C 1.213 176.643 176.300 -1.449 0.000 0.967 2559 R CA -0.012 55.529 56.100 -0.932 0.000 0.933 2559 R CB 1.768 31.777 30.300 -0.485 0.000 1.146 2559 R HN 0.539 nan 8.270 nan 0.000 0.468 2560 S N 1.225 116.346 115.700 -0.964 0.000 2.527 2560 S HA 0.003 4.464 4.470 -0.015 0.000 0.222 2560 S C -0.258 174.036 174.600 -0.510 0.000 0.985 2560 S CA -0.028 57.729 58.200 -0.738 0.000 0.921 2560 S CB -0.120 62.859 63.200 -0.369 0.000 0.772 2560 S HN 0.546 nan 8.310 nan 0.000 0.529 2561 E N 2.179 122.125 120.200 -0.424 0.000 2.491 2561 E HA 0.017 4.359 4.350 -0.015 0.000 0.250 2561 E C -0.424 176.082 176.600 -0.157 0.000 1.061 2561 E CA -0.064 56.175 56.400 -0.268 0.000 0.942 2561 E CB -0.234 29.353 29.700 -0.188 0.000 0.957 2561 E HN 0.592 nan 8.360 nan 0.000 0.480 2562 Y N 1.676 121.912 120.300 -0.106 0.000 2.844 2562 Y HA -0.164 4.377 4.550 -0.015 0.000 0.350 2562 Y C 1.024 176.894 175.900 -0.049 0.000 1.277 2562 Y CA 0.544 58.600 58.100 -0.073 0.000 1.478 2562 Y CB 0.531 38.942 38.460 -0.081 0.000 1.346 2562 Y HN 0.408 nan 8.280 nan 0.000 0.660 2563 D N -0.019 120.493 120.400 0.187 0.000 2.575 2563 D HA 0.138 4.770 4.640 -0.015 0.000 0.236 2563 D C -0.940 175.409 176.300 0.082 0.000 1.075 2563 D CA -0.612 53.451 54.000 0.104 0.000 0.860 2563 D CB 1.905 42.767 40.800 0.103 0.000 1.475 2563 D HN 0.378 nan 8.370 nan 0.000 0.474 2564 S N 0.965 116.705 115.700 0.066 0.000 2.549 2564 S HA 0.169 4.630 4.470 -0.015 0.000 0.279 2564 S C 0.972 175.616 174.600 0.074 0.000 1.321 2564 S CA -0.420 57.816 58.200 0.061 0.000 1.054 2564 S CB 0.350 63.581 63.200 0.051 0.000 0.899 2564 S HN 0.414 nan 8.310 nan 0.000 0.497 2565 L N 3.629 124.903 121.223 0.085 0.000 2.640 2565 L HA 0.298 4.629 4.340 -0.015 0.000 0.230 2565 L C 0.406 177.310 176.870 0.056 0.000 1.123 2565 L CA -0.121 54.771 54.840 0.085 0.000 0.900 2565 L CB -0.277 41.853 42.059 0.120 0.000 1.146 2565 L HN 0.569 nan 8.230 nan 0.000 0.484 2566 L N 2.355 123.608 121.223 0.050 0.000 2.506 2566 L HA 0.087 4.418 4.340 -0.015 0.000 0.281 2566 L C -1.528 175.364 176.870 0.038 0.000 1.228 2566 L CA -1.132 53.729 54.840 0.036 0.000 0.850 2566 L CB 0.042 42.122 42.059 0.035 0.000 1.110 2566 L HN -0.038 nan 8.230 nan 0.000 0.496 2567 P HA 0.068 nan 4.420 nan 0.000 0.282 2567 P C -1.069 176.264 177.300 0.055 0.000 1.249 2567 P CA -0.519 62.601 63.100 0.033 0.000 0.806 2567 P CB 0.874 32.580 31.700 0.011 0.000 0.984 2568 D N 1.985 122.435 120.400 0.084 0.000 2.498 2568 D HA 0.133 4.765 4.640 -0.015 0.000 0.229 2568 D C 0.261 176.701 176.300 0.233 0.000 1.188 2568 D CA -0.071 54.016 54.000 0.144 0.000 1.028 2568 D CB -0.402 40.485 40.800 0.145 0.000 1.087 2568 D HN -0.057 nan 8.370 nan 0.000 0.510 2569 V N 3.239 123.236 119.914 0.140 0.000 3.641 2569 V HA 0.360 4.471 4.120 -0.015 0.000 0.286 2569 V C -0.339 175.903 176.094 0.247 0.000 1.027 2569 V CA 0.084 62.403 62.300 0.032 0.000 1.032 2569 V CB 0.519 32.325 31.823 -0.028 0.000 1.238 2569 V HN 0.534 nan 8.190 nan 0.000 0.439 2570 Y N -1.452 118.846 120.300 -0.003 0.000 2.252 2570 Y HA 0.368 4.909 4.550 -0.015 0.000 0.326 2570 Y C -0.720 175.216 175.900 0.061 0.000 1.429 2570 Y CA -1.651 56.473 58.100 0.040 0.000 1.537 2570 Y CB -0.769 37.734 38.460 0.073 0.000 1.254 2570 Y HN 0.755 nan 8.280 nan 0.000 0.447 2571 E N 1.979 122.276 120.200 0.161 0.000 2.436 2571 E HA 0.219 4.560 4.350 -0.015 0.000 0.262 2571 E C -1.260 175.547 176.600 0.346 0.000 1.063 2571 E CA 0.116 56.602 56.400 0.143 0.000 0.944 2571 E CB 0.669 30.444 29.700 0.125 0.000 0.950 2571 E HN 0.564 nan 8.360 nan 0.000 0.444 2572 W N 3.554 124.874 121.300 0.034 0.000 2.376 2572 W HA 0.386 5.039 4.660 -0.011 0.000 0.312 2572 W C -2.025 174.524 176.519 0.050 0.000 1.060 2572 W CA -2.527 54.858 57.345 0.066 0.000 1.221 2572 W CB 0.566 30.038 29.460 0.020 0.000 1.281 2572 W HN 0.628 nan 8.180 nan 0.000 0.456 2573 P HA 0.000 nan 4.420 nan 0.000 0.216 2573 P CA 0.000 63.126 63.100 0.043 0.000 0.800 2573 P CB 0.000 31.697 31.700 -0.005 0.000 0.726