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 2hrq_1_B DATA FIRST_RESID 2022 DATA SEQUENCE SPPVVDTVHG KVLGKFVSLE GFAQPVAIFL GIPFAKPPLG PLRFTPPQPA DATA SEQUENCE EPWSFVKNAT SYPPMcTQDP KAGQLLSELF TNRKENIPLK LSEDcLYLNI DATA SEQUENCE YTPADLTKKN RLPVMVWIHG GGLMVGAAST YDGLALAAHE NVVVVTIQYR DATA SEQUENCE LGIWGFFSTG DEHSRGNWGH LDQVAALRWV QDNIASFGGN PGSVTIFGES DATA SEQUENCE AGGESVSVLV LSPLAKNLFH RAISESGVAL TSVLVKKGDV KPLAEQIAIT DATA SEQUENCE AGcKTTTSAV MVHcLRQKTE EELLETTLKM KFLSLDLQGD PRESQPLLGT DATA SEQUENCE VIDGMLLLKT PEELQAERNF HTVPYMVGIN KQEFGWLIPM XLMSYPLSEG DATA SEQUENCE QLDQKTAMSL LWKSYPLVCI AKELIPEATE KYLGGTDDTV KKKDLFLDLI DATA SEQUENCE ADVMFGVPSV IVARNHRDAG APTYMYEFQY RPSFSSDMKP KTVIGDHGDE DATA SEQUENCE LFSVFGAPFL KEGASEEEIR LSKMVMKFWA NFARNGNPNG EGLPHWPEYN DATA SEQUENCE QKEGYLQIGA NTQAAQKLKD KEVAFWTNLF AK 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 2022 S HA 0.000 nan 4.470 nan 0.000 0.327 2022 S C 0.000 174.691 174.600 0.152 0.000 1.055 2022 S CA 0.000 58.279 58.200 0.131 0.000 1.107 2022 S CB 0.000 63.266 63.200 0.111 0.000 0.593 2023 P HA 0.230 nan 4.420 nan 0.000 0.264 2023 P C -2.511 174.664 177.300 -0.208 0.000 1.183 2023 P CA -0.648 62.353 63.100 -0.165 0.000 0.763 2023 P CB -0.136 31.490 31.700 -0.123 0.000 0.807 2024 P HA 0.090 nan 4.420 nan 0.000 0.276 2024 P C -1.042 176.255 177.300 -0.004 0.000 1.230 2024 P CA 0.087 63.026 63.100 -0.268 0.000 0.776 2024 P CB 0.815 32.194 31.700 -0.535 0.000 0.888 2025 V N 4.290 124.259 119.914 0.093 0.000 2.443 2025 V HA 0.240 4.361 4.120 0.001 0.000 0.293 2025 V C 0.301 176.440 176.094 0.076 0.000 1.021 2025 V CA -0.674 61.708 62.300 0.137 0.000 0.848 2025 V CB 2.082 33.960 31.823 0.092 0.000 0.998 2025 V HN 0.301 nan 8.190 nan 0.000 0.424 2026 V N 3.151 123.081 119.914 0.028 0.000 2.630 2026 V HA 0.493 4.614 4.120 0.001 0.000 0.305 2026 V C -0.339 175.687 176.094 -0.112 0.000 1.046 2026 V CA -0.716 61.451 62.300 -0.221 0.000 0.934 2026 V CB 2.223 33.553 31.823 -0.821 0.000 1.003 2026 V HN 0.774 nan 8.190 nan 0.000 0.451 2027 D N 2.622 122.936 120.400 -0.142 0.000 2.373 2027 D HA 0.413 5.054 4.640 0.001 0.000 0.227 2027 D C 0.115 176.351 176.300 -0.107 0.000 1.091 2027 D CA 0.127 54.080 54.000 -0.077 0.000 0.840 2027 D CB 1.899 42.653 40.800 -0.076 0.000 1.060 2027 D HN 0.794 nan 8.370 nan 0.000 0.502 2028 T N -1.650 112.878 114.554 -0.043 0.000 2.948 2028 T HA 0.272 4.622 4.350 0.001 0.000 0.285 2028 T C 1.643 176.227 174.700 -0.193 0.000 1.019 2028 T CA -0.738 61.324 62.100 -0.064 0.000 1.013 2028 T CB 1.186 70.157 68.868 0.173 0.000 1.117 2028 T HN -0.008 nan 8.240 nan 0.000 0.533 2029 V N 1.083 120.820 119.914 -0.295 0.000 2.324 2029 V HA -0.176 3.944 4.120 0.001 0.000 0.250 2029 V C 2.318 178.123 176.094 -0.482 0.000 1.060 2029 V CA 1.780 63.835 62.300 -0.408 0.000 1.042 2029 V CB -1.179 30.311 31.823 -0.555 0.000 0.650 2029 V HN 0.874 nan 8.190 nan 0.000 0.450 2030 H N -0.007 118.850 119.070 -0.354 0.000 2.539 2030 H HA 0.475 5.032 4.556 0.001 0.000 0.267 2030 H C 1.013 175.520 175.328 -1.368 0.000 0.982 2030 H CA 0.907 56.536 56.048 -0.698 0.000 1.146 2030 H CB 0.369 29.748 29.762 -0.639 0.000 1.382 2030 H HN 0.555 nan 8.280 nan 0.000 0.577 2031 G N 0.391 108.688 108.800 -0.838 0.000 2.351 2031 G HA2 -0.034 3.926 3.960 0.001 0.000 0.353 2031 G HA3 -0.034 3.926 3.960 0.001 0.000 0.353 2031 G C -1.321 173.593 174.900 0.024 0.000 1.358 2031 G CA -1.179 43.475 45.100 -0.743 0.000 0.995 2031 G HN 0.055 nan 8.290 nan 0.000 0.611 2032 K N -0.464 120.109 120.400 0.288 0.000 2.218 2032 K HA 0.580 4.900 4.320 0.001 0.000 0.276 2032 K C 0.368 177.297 176.600 0.549 0.000 1.022 2032 K CA -0.439 56.057 56.287 0.349 0.000 0.946 2032 K CB 1.805 34.445 32.500 0.234 0.000 1.000 2032 K HN 1.077 nan 8.250 nan 0.000 0.468 2033 V N 0.553 120.707 119.914 0.400 0.000 2.735 2033 V HA 0.513 4.633 4.120 0.001 0.000 0.310 2033 V C -0.949 175.362 176.094 0.362 0.000 1.061 2033 V CA -1.142 61.389 62.300 0.385 0.000 0.913 2033 V CB 1.764 33.860 31.823 0.456 0.000 1.005 2033 V HN 0.586 nan 8.190 nan 0.000 0.428 2034 L N 4.108 125.494 121.223 0.272 0.000 2.322 2034 L HA 0.929 5.269 4.340 0.001 0.000 0.281 2034 L C 0.308 177.206 176.870 0.047 0.000 1.014 2034 L CA 0.692 55.626 54.840 0.156 0.000 0.815 2034 L CB 1.135 43.228 42.059 0.056 0.000 1.247 2034 L HN 1.039 nan 8.230 nan 0.000 0.421 2035 G N 4.750 113.401 108.800 -0.249 0.000 3.175 2035 G HA2 0.626 4.587 3.960 0.001 0.000 0.153 2035 G HA3 0.626 4.587 3.960 0.001 0.000 0.153 2035 G C -1.185 173.381 174.900 -0.557 0.000 1.216 2035 G CA -0.421 44.259 45.100 -0.701 0.000 0.943 2035 G HN 0.734 nan 8.290 nan 0.000 0.611 2036 K N -1.296 118.706 120.400 -0.663 0.000 2.568 2036 K HA 0.517 4.837 4.320 0.001 0.000 0.273 2036 K C -1.884 174.462 176.600 -0.423 0.000 0.951 2036 K CA -0.819 55.200 56.287 -0.448 0.000 0.854 2036 K CB 1.415 33.762 32.500 -0.255 0.000 1.424 2036 K HN 0.286 nan 8.250 nan 0.000 0.427 2037 F N 1.273 121.154 119.950 -0.114 0.000 2.394 2037 F HA 0.495 5.023 4.527 0.001 0.000 0.340 2037 F C -0.243 175.538 175.800 -0.033 0.000 1.105 2037 F CA -0.852 57.110 58.000 -0.062 0.000 1.124 2037 F CB 2.042 41.025 39.000 -0.028 0.000 1.145 2037 F HN 0.099 nan 8.300 nan 0.000 0.505 2038 V N 2.648 122.696 119.914 0.223 0.000 2.569 2038 V HA 0.272 4.392 4.120 0.001 0.000 0.301 2038 V C -0.535 175.636 176.094 0.129 0.000 1.044 2038 V CA -0.796 61.588 62.300 0.140 0.000 0.874 2038 V CB 1.771 33.665 31.823 0.118 0.000 1.002 2038 V HN 0.761 nan 8.190 nan 0.000 0.424 2039 S N 4.524 120.284 115.700 0.099 0.000 2.610 2039 S HA 0.735 5.205 4.470 0.001 0.000 0.273 2039 S C -0.576 174.081 174.600 0.095 0.000 1.274 2039 S CA -0.391 57.859 58.200 0.083 0.000 1.023 2039 S CB 1.505 64.742 63.200 0.061 0.000 0.962 2039 S HN 0.536 nan 8.310 nan 0.000 0.523 2040 L N 2.330 123.619 121.223 0.111 0.000 2.362 2040 L HA 0.519 4.859 4.340 0.001 0.000 0.275 2040 L C -0.373 176.621 176.870 0.206 0.000 0.998 2040 L CA -0.695 54.230 54.840 0.141 0.000 0.820 2040 L CB 1.565 43.669 42.059 0.074 0.000 1.270 2040 L HN 0.581 nan 8.230 nan 0.000 0.415 2041 E N 3.233 123.542 120.200 0.182 0.000 2.606 2041 E HA 0.396 4.746 4.350 0.001 0.000 0.248 2041 E C 0.936 177.632 176.600 0.160 0.000 1.005 2041 E CA 1.612 58.103 56.400 0.152 0.000 0.946 2041 E CB -0.077 29.712 29.700 0.148 0.000 0.928 2041 E HN 0.817 nan 8.360 nan 0.000 0.494 2042 G N 3.338 112.156 108.800 0.029 0.000 2.229 2042 G HA2 -0.196 3.765 3.960 0.001 0.000 0.189 2042 G HA3 -0.196 3.765 3.960 0.001 0.000 0.189 2042 G C -0.290 174.221 174.900 -0.648 0.000 1.000 2042 G CA -0.220 44.724 45.100 -0.260 0.000 0.663 2042 G HN 0.357 nan 8.290 nan 0.000 0.493 2043 F N 0.057 119.957 119.950 -0.084 0.000 2.539 2043 F HA 0.751 5.279 4.527 0.001 0.000 0.318 2043 F C 1.085 176.852 175.800 -0.055 0.000 1.135 2043 F CA -0.233 57.716 58.000 -0.086 0.000 0.915 2043 F CB 1.717 40.645 39.000 -0.120 0.000 1.176 2043 F HN 0.099 nan 8.300 nan 0.000 0.440 2044 A N 1.372 124.238 122.820 0.076 0.000 1.872 2044 A HA -0.103 4.218 4.320 0.001 0.000 0.214 2044 A C 1.158 178.758 177.584 0.027 0.000 1.187 2044 A CA 0.958 53.013 52.037 0.030 0.000 0.614 2044 A CB -0.447 18.553 19.000 -0.000 0.000 0.826 2044 A HN 0.667 nan 8.150 nan 0.000 0.442 2045 Q N 1.162 120.992 119.800 0.050 0.000 2.262 2045 Q HA 0.313 4.653 4.340 0.001 0.000 0.272 2045 Q C -2.637 173.368 176.000 0.009 0.000 1.076 2045 Q CA -2.053 53.755 55.803 0.009 0.000 0.905 2045 Q CB 0.182 28.942 28.738 0.036 0.000 1.182 2045 Q HN 0.250 nan 8.270 nan 0.000 0.390 2046 P HA 0.059 nan 4.420 nan 0.000 0.272 2046 P C -1.150 176.214 177.300 0.107 0.000 1.223 2046 P CA -0.365 62.725 63.100 -0.017 0.000 0.784 2046 P CB 0.773 32.362 31.700 -0.185 0.000 0.923 2047 V N 1.794 121.812 119.914 0.174 0.000 2.439 2047 V HA 0.479 4.600 4.120 0.001 0.000 0.282 2047 V C 0.481 176.757 176.094 0.303 0.000 1.039 2047 V CA -0.706 61.724 62.300 0.218 0.000 0.913 2047 V CB 0.853 32.777 31.823 0.168 0.000 0.983 2047 V HN 0.651 nan 8.190 nan 0.000 0.460 2048 A N 6.770 129.780 122.820 0.317 0.000 2.362 2048 A HA 0.732 5.053 4.320 0.001 0.000 0.276 2048 A C -0.385 177.193 177.584 -0.009 0.000 1.153 2048 A CA -0.217 51.883 52.037 0.105 0.000 0.813 2048 A CB -0.068 19.063 19.000 0.218 0.000 1.081 2048 A HN 0.777 nan 8.150 nan 0.000 0.507 2049 I N 2.453 122.830 120.570 -0.322 0.000 2.418 2049 I HA 0.382 4.552 4.170 0.001 0.000 0.287 2049 I C -1.347 174.420 176.117 -0.583 0.000 1.008 2049 I CA -0.230 60.847 61.300 -0.373 0.000 1.104 2049 I CB 1.578 39.394 38.000 -0.307 0.000 1.264 2049 I HN 0.530 nan 8.210 nan 0.000 0.438 2050 F N 6.577 126.388 119.950 -0.231 0.000 2.427 2050 F HA 0.533 5.060 4.527 0.000 0.000 0.348 2050 F C -0.196 175.469 175.800 -0.225 0.000 1.125 2050 F CA -0.543 57.371 58.000 -0.143 0.000 0.989 2050 F CB 1.240 40.262 39.000 0.036 0.000 1.165 2050 F HN 0.126 nan 8.300 nan 0.000 0.442 2051 L N 2.327 123.482 121.223 -0.114 0.000 2.322 2051 L HA 0.669 5.010 4.340 0.001 0.000 0.279 2051 L C 0.848 177.640 176.870 -0.130 0.000 1.036 2051 L CA -1.039 53.696 54.840 -0.176 0.000 0.807 2051 L CB 1.547 43.382 42.059 -0.374 0.000 1.226 2051 L HN 0.874 nan 8.230 nan 0.000 0.433 2052 G N 3.418 112.154 108.800 -0.107 0.000 2.372 2052 G HA2 -0.257 3.704 3.960 0.001 0.000 0.297 2052 G HA3 -0.257 3.704 3.960 0.001 0.000 0.297 2052 G C -0.258 174.659 174.900 0.027 0.000 1.005 2052 G CA -0.196 44.807 45.100 -0.162 0.000 1.173 2052 G HN 0.454 nan 8.290 nan 0.000 0.511 2053 I N 2.217 122.843 120.570 0.093 0.000 2.342 2053 I HA 0.246 4.416 4.170 0.001 0.000 0.291 2053 I C -1.452 174.713 176.117 0.080 0.000 1.010 2053 I CA -2.349 58.986 61.300 0.058 0.000 1.308 2053 I CB 1.536 39.501 38.000 -0.057 0.000 1.400 2053 I HN 0.058 nan 8.210 nan 0.000 0.488 2054 P HA 0.022 nan 4.420 nan 0.000 0.271 2054 P C -0.261 176.953 177.300 -0.143 0.000 1.220 2054 P CA 0.062 63.028 63.100 -0.223 0.000 0.768 2054 P CB 0.537 32.128 31.700 -0.182 0.000 0.848 2055 F N 1.246 121.011 119.950 -0.309 0.000 2.706 2055 F HA 0.721 5.249 4.527 0.002 0.000 0.313 2055 F C -0.011 175.775 175.800 -0.022 0.000 1.096 2055 F CA -0.840 57.012 58.000 -0.246 0.000 1.219 2055 F CB 0.127 38.865 39.000 -0.436 0.000 1.051 2055 F HN 0.365 nan 8.300 nan 0.000 0.568 2056 A N 0.737 123.302 122.820 -0.426 0.000 2.594 2056 A HA 0.540 4.861 4.320 0.001 0.000 0.291 2056 A C -1.135 176.266 177.584 -0.304 0.000 1.105 2056 A CA -1.069 50.799 52.037 -0.281 0.000 0.694 2056 A CB 1.098 19.864 19.000 -0.390 0.000 1.291 2056 A HN 0.207 nan 8.150 nan 0.000 0.410 2057 K N 0.547 120.832 120.400 -0.190 0.000 2.295 2057 K HA 0.405 4.726 4.320 0.001 0.000 0.270 2057 K C -2.456 174.010 176.600 -0.224 0.000 1.011 2057 K CA -1.414 54.770 56.287 -0.173 0.000 0.953 2057 K CB 0.352 32.787 32.500 -0.108 0.000 0.956 2057 K HN 0.320 nan 8.250 nan 0.000 0.477 2058 P HA 0.008 nan 4.420 nan 0.000 0.262 2058 P C -2.400 174.796 177.300 -0.175 0.000 1.199 2058 P CA -0.913 62.058 63.100 -0.215 0.000 0.763 2058 P CB 0.304 31.910 31.700 -0.158 0.000 0.790 2059 P HA 0.050 nan 4.420 nan 0.000 0.231 2059 P C -0.619 176.587 177.300 -0.158 0.000 1.756 2059 P CA 0.490 63.488 63.100 -0.170 0.000 0.990 2059 P CB -0.011 31.584 31.700 -0.174 0.000 1.973 2060 L N -0.215 120.928 121.223 -0.133 0.000 2.358 2060 L HA 0.601 4.941 4.340 0.001 0.000 0.268 2060 L C 1.667 178.472 176.870 -0.107 0.000 1.032 2060 L CA -0.398 54.375 54.840 -0.111 0.000 0.805 2060 L CB 0.508 42.514 42.059 -0.088 0.000 1.253 2060 L HN 0.281 nan 8.230 nan 0.000 0.452 2061 G N 1.293 110.036 108.800 -0.095 0.000 2.652 2061 G HA2 -0.291 3.669 3.960 0.001 0.000 0.318 2061 G HA3 -0.291 3.669 3.960 0.001 0.000 0.318 2061 G C -1.263 173.579 174.900 -0.097 0.000 1.295 2061 G CA 0.331 45.381 45.100 -0.083 0.000 0.999 2061 G HN 0.632 nan 8.290 nan 0.000 0.548 2062 P HA -0.043 nan 4.420 nan 0.000 0.222 2062 P C 1.872 179.118 177.300 -0.090 0.000 1.142 2062 P CA 1.561 64.630 63.100 -0.052 0.000 0.788 2062 P CB -0.146 31.540 31.700 -0.023 0.000 0.767 2063 L N -1.271 119.879 121.223 -0.121 0.000 2.554 2063 L HA 0.086 4.427 4.340 0.001 0.000 0.226 2063 L C 1.785 178.498 176.870 -0.262 0.000 1.137 2063 L CA -0.151 54.593 54.840 -0.159 0.000 0.863 2063 L CB -0.507 41.471 42.059 -0.135 0.000 0.985 2063 L HN -0.080 nan 8.230 nan 0.000 0.451 2064 R N 0.894 121.206 120.500 -0.313 0.000 2.449 2064 R HA -0.010 4.331 4.340 0.001 0.000 0.296 2064 R C -0.383 175.518 176.300 -0.665 0.000 1.047 2064 R CA -0.039 55.716 56.100 -0.575 0.000 1.018 2064 R CB 0.129 30.022 30.300 -0.679 0.000 0.962 2064 R HN 0.085 nan 8.270 nan 0.000 0.428 2065 F N 0.198 119.773 119.950 -0.625 0.000 2.999 2065 F HA -0.259 4.268 4.527 0.001 0.000 0.291 2065 F C 0.031 174.803 175.800 -1.713 0.000 0.824 2065 F CA 1.237 58.514 58.000 -1.205 0.000 1.255 2065 F CB -2.557 36.189 39.000 -0.423 0.000 1.333 2065 F HN 0.676 nan 8.300 nan 0.000 0.502 2066 T N -3.693 110.160 114.554 -1.169 0.000 2.865 2066 T HA 0.817 5.167 4.350 0.001 0.000 0.294 2066 T C -2.965 171.554 174.700 -0.302 0.000 1.119 2066 T CA -2.449 59.219 62.100 -0.720 0.000 1.007 2066 T CB 3.279 71.986 68.868 -0.268 0.000 1.225 2066 T HN -0.250 nan 8.240 nan 0.000 0.515 2067 P HA 0.263 nan 4.420 nan 0.000 0.269 2067 P C -2.333 175.019 177.300 0.086 0.000 1.215 2067 P CA -0.922 62.304 63.100 0.211 0.000 0.780 2067 P CB -0.270 31.554 31.700 0.208 0.000 0.898 2068 P HA 0.099 nan 4.420 nan 0.000 0.271 2068 P C -0.768 176.565 177.300 0.055 0.000 1.218 2068 P CA 0.123 63.258 63.100 0.058 0.000 0.780 2068 P CB 0.863 32.632 31.700 0.115 0.000 0.901 2069 Q N 2.174 121.981 119.800 0.011 0.000 2.297 2069 Q HA 0.462 4.802 4.340 0.001 0.000 0.268 2069 Q C -2.300 173.716 176.000 0.027 0.000 1.045 2069 Q CA -2.175 53.640 55.803 0.021 0.000 0.861 2069 Q CB 1.161 29.894 28.738 -0.008 0.000 1.344 2069 Q HN 0.346 nan 8.270 nan 0.000 0.452 2070 P HA -0.009 nan 4.420 nan 0.000 0.269 2070 P C -1.347 175.929 177.300 -0.040 0.000 1.209 2070 P CA 0.117 63.260 63.100 0.071 0.000 0.776 2070 P CB 0.514 32.278 31.700 0.107 0.000 0.876 2071 A N 2.703 125.459 122.820 -0.107 0.000 2.407 2071 A HA 0.157 4.478 4.320 0.001 0.000 0.248 2071 A C 0.329 177.725 177.584 -0.313 0.000 1.082 2071 A CA -0.319 51.609 52.037 -0.183 0.000 0.785 2071 A CB -0.099 18.852 19.000 -0.082 0.000 1.020 2071 A HN 0.451 nan 8.150 nan 0.000 0.489 2072 E N 2.791 122.915 120.200 -0.127 0.000 2.344 2072 E HA 0.223 4.573 4.350 0.001 0.000 0.270 2072 E C -2.104 174.483 176.600 -0.022 0.000 1.021 2072 E CA -1.489 54.868 56.400 -0.073 0.000 0.887 2072 E CB 0.167 29.865 29.700 -0.002 0.000 0.997 2072 E HN 0.491 nan 8.360 nan 0.000 0.429 2073 P HA 0.082 nan 4.420 nan 0.000 0.269 2073 P C -0.717 176.621 177.300 0.063 0.000 1.215 2073 P CA -0.196 62.855 63.100 -0.081 0.000 0.780 2073 P CB 0.329 31.996 31.700 -0.054 0.000 0.898 2074 W N 0.396 121.717 121.300 0.035 0.000 2.799 2074 W HA 0.668 5.328 4.660 -0.000 0.000 0.349 2074 W C -0.957 175.525 176.519 -0.062 0.000 1.100 2074 W CA -0.850 56.491 57.345 -0.006 0.000 1.174 2074 W CB 0.220 29.702 29.460 0.036 0.000 1.427 2074 W HN 0.160 nan 8.180 nan 0.000 0.547 2075 S N 1.604 117.340 115.700 0.061 0.000 2.687 2075 S HA 0.690 5.161 4.470 0.001 0.000 0.283 2075 S C -0.246 174.302 174.600 -0.087 0.000 1.170 2075 S CA -0.407 57.614 58.200 -0.299 0.000 1.008 2075 S CB 0.468 63.155 63.200 -0.855 0.000 1.026 2075 S HN 0.650 nan 8.310 nan 0.000 0.541 2076 F N -1.596 118.455 119.950 0.168 0.000 2.183 2076 F HA -0.264 4.263 4.527 -0.000 0.000 0.318 2076 F C -0.116 175.825 175.800 0.234 0.000 0.129 2076 F CA -0.141 57.955 58.000 0.159 0.000 0.912 2076 F CB -1.006 38.066 39.000 0.121 0.000 4.135 2076 F HN 0.333 nan 8.300 nan 0.000 0.137 2077 V N 0.924 121.087 119.914 0.415 0.000 2.370 2077 V HA 0.291 4.412 4.120 0.001 0.000 0.283 2077 V C 0.010 176.222 176.094 0.197 0.000 1.023 2077 V CA -0.775 61.704 62.300 0.298 0.000 0.857 2077 V CB 1.370 33.307 31.823 0.191 0.000 0.985 2077 V HN 0.453 nan 8.190 nan 0.000 0.443 2078 K N 4.378 124.860 120.400 0.137 0.000 2.297 2078 K HA 0.168 4.489 4.320 0.001 0.000 0.286 2078 K C 0.212 176.789 176.600 -0.039 0.000 1.053 2078 K CA -0.324 55.879 56.287 -0.140 0.000 0.940 2078 K CB 0.404 32.513 32.500 -0.651 0.000 1.019 2078 K HN 0.669 nan 8.250 nan 0.000 0.475 2079 N N 3.567 122.228 118.700 -0.064 0.000 2.555 2079 N HA 0.071 4.812 4.740 0.001 0.000 0.244 2079 N C -1.043 174.420 175.510 -0.078 0.000 1.114 2079 N CA -0.014 53.006 53.050 -0.049 0.000 0.963 2079 N CB 0.883 39.336 38.487 -0.057 0.000 1.276 2079 N HN 0.609 nan 8.380 nan 0.000 0.510 2080 A N 2.754 125.555 122.820 -0.031 0.000 3.118 2080 A HA 0.150 4.471 4.320 0.001 0.000 0.256 2080 A C 1.044 178.558 177.584 -0.117 0.000 1.667 2080 A CA -0.360 51.651 52.037 -0.043 0.000 1.338 2080 A CB -0.671 18.394 19.000 0.109 0.000 1.127 2080 A HN 0.555 nan 8.150 nan 0.000 0.634 2081 T N -2.683 111.771 114.554 -0.166 0.000 3.145 2081 T HA 0.350 4.700 4.350 0.001 0.000 0.281 2081 T C 0.249 174.786 174.700 -0.271 0.000 1.003 2081 T CA 0.345 62.312 62.100 -0.222 0.000 0.901 2081 T CB -0.472 68.287 68.868 -0.181 0.000 1.112 2081 T HN 0.618 nan 8.240 nan 0.000 0.535 2082 S N 0.420 115.953 115.700 -0.278 0.000 2.536 2082 S HA 0.671 5.141 4.470 0.001 0.000 0.287 2082 S C -1.027 173.386 174.600 -0.312 0.000 1.101 2082 S CA -0.999 57.029 58.200 -0.286 0.000 0.950 2082 S CB 0.747 63.847 63.200 -0.165 0.000 1.056 2082 S HN 0.200 nan 8.310 nan 0.000 0.481 2083 Y N 2.977 123.205 120.300 -0.121 0.000 2.712 2083 Y HA 0.258 4.808 4.550 0.000 0.000 0.333 2083 Y C -1.489 174.291 175.900 -0.200 0.000 1.225 2083 Y CA -0.790 57.232 58.100 -0.130 0.000 1.499 2083 Y CB 0.009 38.416 38.460 -0.089 0.000 1.288 2083 Y HN 0.498 nan 8.280 nan 0.000 0.575 2084 P HA 0.236 nan 4.420 nan 0.000 0.279 2084 P C -2.688 174.516 177.300 -0.160 0.000 1.252 2084 P CA -1.802 61.091 63.100 -0.345 0.000 0.811 2084 P CB 0.813 32.149 31.700 -0.606 0.000 1.035 2085 P HA 0.171 nan 4.420 nan 0.000 0.270 2085 P C -0.082 177.181 177.300 -0.061 0.000 1.223 2085 P CA 0.054 63.099 63.100 -0.092 0.000 0.785 2085 P CB 0.187 31.837 31.700 -0.083 0.000 0.923 2086 M N -0.018 119.531 119.600 -0.084 0.000 2.367 2086 M HA 0.459 4.939 4.480 0.001 0.000 0.339 2086 M C -0.717 175.504 176.300 -0.132 0.000 1.177 2086 M CA -0.633 54.609 55.300 -0.096 0.000 1.068 2086 M CB 0.656 33.183 32.600 -0.121 0.000 1.602 2086 M HN 0.113 nan 8.290 nan 0.000 0.457 2087 c N 2.142 120.655 118.600 -0.145 0.000 2.641 2087 c HA 0.079 4.649 4.570 0.001 0.000 0.412 2087 c C 0.960 174.864 174.090 -0.310 0.000 1.312 2087 c CA -0.046 56.143 56.329 -0.233 0.000 1.838 2087 c CB -0.532 41.857 42.510 -0.202 0.000 2.682 2087 c HN 0.882 nan 8.230 nan 0.000 0.627 2088 T N 4.507 118.737 114.554 -0.541 0.000 2.891 2088 T HA 0.268 4.619 4.350 0.001 0.000 0.296 2088 T C 0.034 174.501 174.700 -0.388 0.000 1.025 2088 T CA 0.502 62.230 62.100 -0.620 0.000 1.149 2088 T CB -0.143 67.950 68.868 -1.292 0.000 1.007 2088 T HN 0.890 nan 8.240 nan 0.000 0.528 2089 Q N 0.807 120.517 119.800 -0.149 0.000 2.841 2089 Q HA 0.326 4.666 4.340 0.001 0.000 0.309 2089 Q C -1.685 174.344 176.000 0.047 0.000 0.868 2089 Q CA -1.171 54.639 55.803 0.013 0.000 0.760 2089 Q CB 0.762 29.495 28.738 -0.008 0.000 1.454 2089 Q HN 0.368 nan 8.270 nan 0.000 0.449 2090 D N 2.196 122.647 120.400 0.086 0.000 2.368 2090 D HA 0.072 4.713 4.640 0.001 0.000 0.268 2090 D C -1.295 175.021 176.300 0.027 0.000 1.298 2090 D CA -1.606 52.439 54.000 0.075 0.000 0.938 2090 D CB 1.067 41.921 40.800 0.091 0.000 1.101 2090 D HN 0.303 nan 8.370 nan 0.000 0.509 2091 P HA -0.142 nan 4.420 nan 0.000 0.220 2091 P C 0.892 178.183 177.300 -0.014 0.000 1.148 2091 P CA 1.027 64.119 63.100 -0.013 0.000 0.803 2091 P CB 0.487 32.178 31.700 -0.015 0.000 0.782 2092 K N -0.048 120.350 120.400 -0.002 0.000 2.062 2092 K HA 0.049 4.369 4.320 0.001 0.000 0.205 2092 K C 2.388 178.980 176.600 -0.013 0.000 1.051 2092 K CA 1.251 57.535 56.287 -0.006 0.000 0.941 2092 K CB -0.464 32.037 32.500 0.002 0.000 0.719 2092 K HN 0.012 nan 8.250 nan 0.000 0.440 2093 A N 0.917 123.735 122.820 -0.003 0.000 1.929 2093 A HA -0.009 4.312 4.320 0.001 0.000 0.216 2093 A C 2.347 179.914 177.584 -0.027 0.000 1.176 2093 A CA 1.614 53.644 52.037 -0.011 0.000 0.628 2093 A CB -0.953 18.056 19.000 0.015 0.000 0.816 2093 A HN 0.395 nan 8.150 nan 0.000 0.444 2094 G N -0.849 107.938 108.800 -0.023 0.000 2.408 2094 G HA2 -0.230 3.730 3.960 0.001 0.000 0.217 2094 G HA3 -0.230 3.730 3.960 0.001 0.000 0.217 2094 G C 1.612 176.474 174.900 -0.063 0.000 1.150 2094 G CA 1.045 46.120 45.100 -0.042 0.000 0.776 2094 G HN 0.600 nan 8.290 nan 0.000 0.542 2095 Q N -0.669 119.096 119.800 -0.058 0.000 2.123 2095 Q HA 0.002 4.342 4.340 0.001 0.000 0.199 2095 Q C 2.391 178.351 176.000 -0.066 0.000 0.966 2095 Q CA 0.790 56.554 55.803 -0.066 0.000 0.845 2095 Q CB -0.172 28.534 28.738 -0.053 0.000 0.907 2095 Q HN 0.382 nan 8.270 nan 0.000 0.439 2096 L N 0.510 121.697 121.223 -0.059 0.000 1.994 2096 L HA -0.152 4.188 4.340 0.001 0.000 0.208 2096 L C 2.087 178.892 176.870 -0.107 0.000 1.071 2096 L CA 1.569 56.370 54.840 -0.064 0.000 0.745 2096 L CB -0.811 41.212 42.059 -0.060 0.000 0.892 2096 L HN 0.381 nan 8.230 nan 0.000 0.431 2097 L N -1.174 119.968 121.223 -0.135 0.000 2.083 2097 L HA -0.140 4.201 4.340 0.001 0.000 0.209 2097 L C 2.654 179.416 176.870 -0.181 0.000 1.083 2097 L CA 2.003 56.706 54.840 -0.229 0.000 0.752 2097 L CB -0.889 41.075 42.059 -0.159 0.000 0.899 2097 L HN 0.445 nan 8.230 nan 0.000 0.433 2098 S N -0.746 114.887 115.700 -0.112 0.000 2.368 2098 S HA -0.211 4.259 4.470 0.001 0.000 0.225 2098 S C 1.861 176.394 174.600 -0.112 0.000 1.030 2098 S CA 1.614 59.743 58.200 -0.119 0.000 0.999 2098 S CB -0.247 62.872 63.200 -0.135 0.000 0.844 2098 S HN 0.652 nan 8.310 nan 0.000 0.459 2099 E N 0.564 120.715 120.200 -0.082 0.000 2.072 2099 E HA -0.075 4.275 4.350 0.001 0.000 0.191 2099 E C 2.123 178.739 176.600 0.027 0.000 0.985 2099 E CA 1.244 57.622 56.400 -0.037 0.000 0.801 2099 E CB -0.268 29.420 29.700 -0.020 0.000 0.750 2099 E HN 0.482 nan 8.360 nan 0.000 0.452 2100 L N -0.174 121.052 121.223 0.006 0.000 2.201 2100 L HA -0.118 4.223 4.340 0.001 0.000 0.212 2100 L C 1.795 178.842 176.870 0.296 0.000 1.105 2100 L CA 0.639 55.539 54.840 0.099 0.000 0.775 2100 L CB -0.071 41.944 42.059 -0.074 0.000 0.913 2100 L HN 0.118 nan 8.230 nan 0.000 0.440 2101 F N -1.156 118.793 119.950 -0.002 0.000 2.731 2101 F HA 0.140 4.667 4.527 0.001 0.000 0.298 2101 F C 1.613 177.131 175.800 -0.470 0.000 1.106 2101 F CA -0.570 57.313 58.000 -0.195 0.000 1.329 2101 F CB -0.608 38.307 39.000 -0.141 0.000 1.100 2101 F HN -0.184 nan 8.300 nan 0.000 0.592 2102 T N 1.892 116.331 114.554 -0.191 0.000 2.932 2102 T HA -0.021 4.329 4.350 0.001 0.000 0.312 2102 T C 1.310 175.839 174.700 -0.285 0.000 1.071 2102 T CA 0.054 61.937 62.100 -0.362 0.000 1.128 2102 T CB 0.371 69.088 68.868 -0.253 0.000 0.984 2102 T HN 0.370 nan 8.240 nan 0.000 0.549 2103 N N 3.707 122.187 118.700 -0.367 0.000 2.254 2103 N HA 0.024 4.765 4.740 0.001 0.000 0.190 2103 N C 0.455 175.853 175.510 -0.187 0.000 1.107 2103 N CA -0.336 52.558 53.050 -0.259 0.000 0.869 2103 N CB 0.057 38.388 38.487 -0.260 0.000 0.983 2103 N HN 0.693 nan 8.380 nan 0.000 0.487 2104 R N 1.068 121.465 120.500 -0.171 0.000 2.546 2104 R HA 0.303 4.643 4.340 0.001 0.000 0.266 2104 R C 1.123 177.371 176.300 -0.086 0.000 1.086 2104 R CA -0.698 55.339 56.100 -0.105 0.000 1.160 2104 R CB 0.948 31.194 30.300 -0.090 0.000 1.138 2104 R HN -0.036 nan 8.270 nan 0.000 0.567 2105 K N 0.319 120.692 120.400 -0.046 0.000 1.985 2105 K HA -0.165 4.156 4.320 0.001 0.000 0.210 2105 K C 0.265 176.851 176.600 -0.023 0.000 1.047 2105 K CA 1.308 57.580 56.287 -0.024 0.000 0.932 2105 K CB -0.147 32.356 32.500 0.005 0.000 0.716 2105 K HN 0.615 nan 8.250 nan 0.000 0.439 2106 E N 1.833 122.016 120.200 -0.028 0.000 2.156 2106 E HA 0.097 4.448 4.350 0.001 0.000 0.279 2106 E C -1.010 175.550 176.600 -0.067 0.000 0.965 2106 E CA -0.762 55.617 56.400 -0.034 0.000 0.789 2106 E CB 0.854 30.541 29.700 -0.022 0.000 1.098 2106 E HN 0.234 nan 8.360 nan 0.000 0.397 2107 N N 4.516 123.172 118.700 -0.073 0.000 2.518 2107 N HA 0.061 4.801 4.740 0.001 0.000 0.266 2107 N C -0.638 174.794 175.510 -0.130 0.000 1.196 2107 N CA 0.042 53.025 53.050 -0.113 0.000 0.947 2107 N CB 0.515 38.946 38.487 -0.093 0.000 1.098 2107 N HN 0.546 nan 8.380 nan 0.000 0.450 2108 I N 5.280 125.731 120.570 -0.199 0.000 2.304 2108 I HA 0.215 4.385 4.170 0.001 0.000 0.291 2108 I C -1.711 174.285 176.117 -0.201 0.000 1.018 2108 I CA -1.827 59.334 61.300 -0.232 0.000 1.260 2108 I CB 1.528 39.260 38.000 -0.447 0.000 1.390 2108 I HN 0.363 nan 8.210 nan 0.000 0.475 2109 P HA 0.198 nan 4.420 nan 0.000 0.271 2109 P C -1.007 176.227 177.300 -0.110 0.000 1.216 2109 P CA 0.041 63.078 63.100 -0.105 0.000 0.776 2109 P CB 1.118 32.776 31.700 -0.071 0.000 0.881 2110 L N 1.677 122.838 121.223 -0.104 0.000 2.319 2110 L HA 0.538 4.879 4.340 0.001 0.000 0.267 2110 L C 0.531 177.355 176.870 -0.078 0.000 1.011 2110 L CA -1.276 53.506 54.840 -0.096 0.000 0.818 2110 L CB 1.704 43.695 42.059 -0.113 0.000 1.316 2110 L HN 0.213 nan 8.230 nan 0.000 0.432 2111 K N 1.069 121.426 120.400 -0.073 0.000 2.098 2111 K HA 0.636 4.956 4.320 0.001 0.000 0.258 2111 K C -0.913 175.636 176.600 -0.085 0.000 0.973 2111 K CA -0.280 55.964 56.287 -0.071 0.000 0.898 2111 K CB 1.144 33.605 32.500 -0.065 0.000 1.057 2111 K HN 0.369 nan 8.250 nan 0.000 0.447 2112 L N 1.004 122.173 121.223 -0.089 0.000 2.343 2112 L HA 0.605 4.945 4.340 0.001 0.000 0.275 2112 L C 0.002 176.792 176.870 -0.133 0.000 1.056 2112 L CA -0.577 54.191 54.840 -0.120 0.000 0.804 2112 L CB 1.714 43.701 42.059 -0.119 0.000 1.203 2112 L HN 0.578 nan 8.230 nan 0.000 0.440 2113 S N 0.043 115.633 115.700 -0.184 0.000 2.597 2113 S HA 0.186 4.656 4.470 0.001 0.000 0.274 2113 S C -0.125 174.309 174.600 -0.277 0.000 1.132 2113 S CA -0.590 57.499 58.200 -0.185 0.000 0.835 2113 S CB 1.473 64.608 63.200 -0.107 0.000 1.092 2113 S HN 0.747 nan 8.310 nan 0.000 0.457 2114 E N 0.667 120.702 120.200 -0.276 0.000 2.385 2114 E HA 0.021 4.372 4.350 0.001 0.000 0.194 2114 E C -0.435 176.034 176.600 -0.218 0.000 1.013 2114 E CA 0.263 56.457 56.400 -0.342 0.000 0.866 2114 E CB 0.117 29.663 29.700 -0.256 0.000 0.832 2114 E HN 0.522 nan 8.360 nan 0.000 0.500 2115 D N 0.605 120.921 120.400 -0.141 0.000 2.522 2115 D HA 0.012 4.652 4.640 0.001 0.000 0.218 2115 D C 0.235 176.551 176.300 0.027 0.000 1.149 2115 D CA -0.358 53.590 54.000 -0.087 0.000 0.981 2115 D CB -0.066 40.718 40.800 -0.028 0.000 1.041 2115 D HN 0.155 nan 8.370 nan 0.000 0.518 2116 c N 1.907 120.463 118.600 -0.073 0.000 3.785 2116 c HA 0.365 4.935 4.570 0.001 0.000 0.312 2116 c C 0.850 174.905 174.090 -0.059 0.000 1.566 2116 c CA -0.682 55.684 56.329 0.061 0.000 1.837 2116 c CB -1.321 41.163 42.510 -0.043 0.000 2.826 2116 c HN 0.436 nan 8.230 nan 0.000 0.667 2117 L N 2.441 123.388 121.223 -0.461 0.000 2.388 2117 L HA 0.289 4.629 4.340 0.001 0.000 0.252 2117 L C -0.717 175.533 176.870 -1.034 0.000 1.357 2117 L CA 0.699 55.090 54.840 -0.749 0.000 1.214 2117 L CB -0.983 40.485 42.059 -0.984 0.000 1.392 2117 L HN 0.418 nan 8.230 nan 0.000 0.432 2118 Y N 1.658 121.880 120.300 -0.129 0.000 2.633 2118 Y HA 0.707 5.257 4.550 0.000 0.000 0.339 2118 Y C -0.117 175.925 175.900 0.236 0.000 1.045 2118 Y CA -1.290 56.820 58.100 0.016 0.000 1.098 2118 Y CB 1.906 40.339 38.460 -0.045 0.000 1.296 2118 Y HN 0.132 nan 8.280 nan 0.000 0.494 2119 L N -0.265 121.127 121.223 0.283 0.000 2.424 2119 L HA 0.726 5.066 4.340 0.001 0.000 0.258 2119 L C -1.496 175.408 176.870 0.057 0.000 0.995 2119 L CA -1.275 53.645 54.840 0.133 0.000 0.821 2119 L CB 1.693 43.717 42.059 -0.058 0.000 1.383 2119 L HN 0.414 nan 8.230 nan 0.000 0.410 2120 N N 1.824 120.586 118.700 0.105 0.000 2.362 2120 N HA 0.718 5.458 4.740 0.001 0.000 0.298 2120 N C -1.169 174.376 175.510 0.059 0.000 1.048 2120 N CA -0.206 52.881 53.050 0.062 0.000 0.858 2120 N CB 2.561 41.149 38.487 0.168 0.000 1.218 2120 N HN 0.691 nan 8.380 nan 0.000 0.488 2121 I N 1.878 122.394 120.570 -0.089 0.000 2.474 2121 I HA 0.329 4.500 4.170 0.001 0.000 0.294 2121 I C -1.101 174.955 176.117 -0.100 0.000 1.005 2121 I CA -0.770 60.520 61.300 -0.015 0.000 1.113 2121 I CB 1.216 39.105 38.000 -0.184 0.000 1.289 2121 I HN 0.332 nan 8.210 nan 0.000 0.436 2122 Y N 3.313 123.735 120.300 0.203 0.000 2.363 2122 Y HA 0.374 4.925 4.550 0.001 0.000 0.325 2122 Y C 0.247 176.275 175.900 0.215 0.000 0.984 2122 Y CA -0.732 57.491 58.100 0.205 0.000 1.248 2122 Y CB 1.983 40.541 38.460 0.162 0.000 1.116 2122 Y HN 0.354 nan 8.280 nan 0.000 0.470 2123 T N 5.225 119.998 114.554 0.365 0.000 2.792 2123 T HA 0.360 4.710 4.350 0.001 0.000 0.280 2123 T C -2.221 172.641 174.700 0.269 0.000 0.990 2123 T CA -2.315 59.979 62.100 0.323 0.000 0.960 2123 T CB 1.315 70.421 68.868 0.398 0.000 0.939 2123 T HN 0.370 nan 8.240 nan 0.000 0.439 2124 P HA 0.298 nan 4.420 nan 0.000 0.261 2124 P C 0.207 177.587 177.300 0.133 0.000 1.268 2124 P CA -0.180 62.998 63.100 0.131 0.000 0.833 2124 P CB 0.117 31.848 31.700 0.052 0.000 1.231 2125 A N 0.786 123.704 122.820 0.165 0.000 2.351 2125 A HA 0.227 4.547 4.320 0.001 0.000 0.257 2125 A C -0.100 177.578 177.584 0.156 0.000 1.087 2125 A CA -0.133 51.990 52.037 0.143 0.000 0.798 2125 A CB -0.235 18.852 19.000 0.145 0.000 1.033 2125 A HN -0.039 nan 8.150 nan 0.000 0.488 2126 D N 1.683 122.152 120.400 0.114 0.000 2.441 2126 D HA 0.327 4.967 4.640 0.001 0.000 0.221 2126 D C 0.840 177.207 176.300 0.112 0.000 1.156 2126 D CA -0.157 53.908 54.000 0.109 0.000 0.896 2126 D CB -0.094 40.743 40.800 0.062 0.000 1.028 2126 D HN 0.388 nan 8.370 nan 0.000 0.509 2127 L N 2.507 123.823 121.223 0.154 0.000 2.551 2127 L HA -0.132 4.209 4.340 0.001 0.000 0.230 2127 L C 2.332 179.250 176.870 0.079 0.000 1.163 2127 L CA 1.319 56.228 54.840 0.116 0.000 0.826 2127 L CB -0.840 41.308 42.059 0.149 0.000 0.943 2127 L HN 0.511 nan 8.230 nan 0.000 0.452 2128 T N -3.610 110.993 114.554 0.083 0.000 2.896 2128 T HA -0.023 4.328 4.350 0.001 0.000 0.263 2128 T C 1.186 175.909 174.700 0.038 0.000 1.050 2128 T CA 0.365 62.499 62.100 0.057 0.000 1.140 2128 T CB 0.197 69.097 68.868 0.055 0.000 0.877 2128 T HN 0.105 nan 8.240 nan 0.000 0.457 2129 K N 0.643 121.066 120.400 0.039 0.000 2.760 2129 K HA 0.517 4.837 4.320 0.001 0.000 0.285 2129 K C -0.138 176.478 176.600 0.026 0.000 1.016 2129 K CA -0.703 55.601 56.287 0.029 0.000 1.087 2129 K CB 0.422 32.940 32.500 0.029 0.000 1.427 2129 K HN -0.013 nan 8.250 nan 0.000 0.524 2130 K N 1.760 122.173 120.400 0.022 0.000 2.358 2130 K HA 0.296 4.616 4.320 0.001 0.000 0.260 2130 K C -1.288 175.327 176.600 0.026 0.000 0.956 2130 K CA -0.397 55.900 56.287 0.018 0.000 0.834 2130 K CB 0.709 33.213 32.500 0.007 0.000 1.102 2130 K HN 0.539 nan 8.250 nan 0.000 0.431 2131 N N 2.833 121.554 118.700 0.035 0.000 2.292 2131 N HA 0.343 5.084 4.740 0.001 0.000 0.303 2131 N C -0.769 174.765 175.510 0.041 0.000 1.140 2131 N CA -0.639 52.436 53.050 0.043 0.000 0.788 2131 N CB 1.917 40.441 38.487 0.063 0.000 1.361 2131 N HN 0.413 nan 8.380 nan 0.000 0.489 2132 R N 1.287 121.809 120.500 0.036 0.000 2.738 2132 R HA 0.401 4.742 4.340 0.001 0.000 0.280 2132 R C -0.786 175.534 176.300 0.034 0.000 1.456 2132 R CA -0.235 55.883 56.100 0.030 0.000 1.612 2132 R CB -0.224 30.083 30.300 0.011 0.000 1.286 2132 R HN 0.474 nan 8.270 nan 0.000 0.660 2133 L N 2.482 123.738 121.223 0.054 0.000 2.417 2133 L HA 0.438 4.779 4.340 0.001 0.000 0.268 2133 L C -1.651 175.253 176.870 0.057 0.000 1.158 2133 L CA -1.938 52.936 54.840 0.057 0.000 0.819 2133 L CB 0.521 42.627 42.059 0.077 0.000 1.112 2133 L HN 0.172 nan 8.230 nan 0.000 0.458 2134 P HA 0.045 nan 4.420 nan 0.000 0.269 2134 P C -0.876 176.469 177.300 0.075 0.000 1.209 2134 P CA -0.094 63.031 63.100 0.040 0.000 0.776 2134 P CB 1.039 32.747 31.700 0.014 0.000 0.876 2135 V N 4.362 124.334 119.914 0.097 0.000 2.513 2135 V HA 0.415 4.536 4.120 0.001 0.000 0.299 2135 V C 0.535 176.722 176.094 0.155 0.000 1.035 2135 V CA -0.475 61.908 62.300 0.139 0.000 0.889 2135 V CB 1.388 33.307 31.823 0.159 0.000 0.988 2135 V HN 0.496 nan 8.190 nan 0.000 0.440 2136 M N 4.488 124.208 119.600 0.200 0.000 2.134 2136 M HA 0.494 4.974 4.480 0.001 0.000 0.310 2136 M C -1.172 175.442 176.300 0.524 0.000 0.966 2136 M CA -0.573 54.897 55.300 0.283 0.000 0.922 2136 M CB 1.991 34.642 32.600 0.085 0.000 1.537 2136 M HN 0.381 nan 8.290 nan 0.000 0.424 2137 V N 3.547 123.769 119.914 0.513 0.000 2.350 2137 V HA 0.293 4.413 4.120 0.001 0.000 0.276 2137 V C -0.605 175.706 176.094 0.362 0.000 1.028 2137 V CA -0.580 61.949 62.300 0.381 0.000 0.860 2137 V CB 1.022 32.962 31.823 0.195 0.000 0.990 2137 V HN 0.842 nan 8.190 nan 0.000 0.453 2138 W N 6.998 128.285 121.300 -0.022 0.000 2.351 2138 W HA 0.623 5.283 4.660 0.001 0.000 0.311 2138 W C -1.230 175.139 176.519 -0.250 0.000 1.168 2138 W CA -0.848 56.230 57.345 -0.445 0.000 1.200 2138 W CB 1.287 30.474 29.460 -0.455 0.000 1.221 2138 W HN 0.435 nan 8.180 nan 0.000 0.519 2139 I N 7.933 127.846 120.570 -1.094 0.000 2.405 2139 I HA 0.051 4.221 4.170 0.001 0.000 0.280 2139 I C 1.044 176.443 176.117 -1.196 0.000 1.027 2139 I CA -0.782 60.018 61.300 -0.833 0.000 1.161 2139 I CB 0.736 38.379 38.000 -0.595 0.000 1.300 2139 I HN 0.413 nan 8.210 nan 0.000 0.463 2140 H N 4.602 123.236 119.070 -0.727 0.000 2.801 2140 H HA 0.365 4.921 4.556 0.001 0.000 0.377 2140 H C -0.053 175.215 175.328 -0.100 0.000 1.304 2140 H CA -0.244 55.547 56.048 -0.429 0.000 1.451 2140 H CB 0.897 30.694 29.762 0.058 0.000 1.474 2140 H HN 0.578 nan 8.280 nan 0.000 0.620 2141 G N -2.252 106.703 108.800 0.258 0.000 2.887 2141 G HA2 0.489 4.450 3.960 0.001 0.000 0.277 2141 G HA3 0.489 4.450 3.960 0.001 0.000 0.277 2141 G C 0.165 175.348 174.900 0.472 0.000 1.346 2141 G CA -0.790 44.484 45.100 0.290 0.000 1.058 2141 G HN 1.152 nan 8.290 nan 0.000 0.535 2142 G N -2.568 106.439 108.800 0.344 0.000 2.542 2142 G HA2 0.420 4.381 3.960 0.001 0.000 0.223 2142 G HA3 0.420 4.381 3.960 0.001 0.000 0.223 2142 G C 1.010 176.012 174.900 0.171 0.000 1.041 2142 G CA 0.760 46.020 45.100 0.267 0.000 0.928 2142 G HN 2.294 nan 8.290 nan 0.000 0.558 2143 G N 0.074 108.963 108.800 0.148 0.000 2.212 2143 G HA2 -0.208 3.753 3.960 0.001 0.000 0.267 2143 G HA3 -0.208 3.753 3.960 0.001 0.000 0.267 2143 G C 1.172 176.066 174.900 -0.010 0.000 1.002 2143 G CA 0.833 45.969 45.100 0.060 0.000 0.729 2143 G HN 1.771 nan 8.290 nan 0.000 0.517 2144 L N -3.577 117.675 121.223 0.048 0.000 4.759 2144 L HA -0.257 4.083 4.340 0.001 0.000 0.419 2144 L C 1.884 178.801 176.870 0.079 0.000 1.093 2144 L CA 1.537 56.397 54.840 0.033 0.000 1.037 2144 L CB -1.463 40.359 42.059 -0.394 0.000 2.095 2144 L HN 0.425 nan 8.230 nan 0.000 0.739 2145 M N -1.312 118.332 119.600 0.073 0.000 2.470 2145 M HA 0.349 4.830 4.480 0.001 0.000 0.262 2145 M C 0.708 177.065 176.300 0.093 0.000 1.211 2145 M CA 1.095 56.436 55.300 0.068 0.000 1.125 2145 M CB 0.648 33.263 32.600 0.025 0.000 1.480 2145 M HN 0.215 nan 8.290 nan 0.000 0.541 2146 V N -2.575 117.398 119.914 0.098 0.000 3.182 2146 V HA 1.056 5.176 4.120 0.001 0.000 0.308 2146 V C -0.393 175.750 176.094 0.081 0.000 1.240 2146 V CA -0.183 62.155 62.300 0.063 0.000 1.063 2146 V CB 1.471 33.320 31.823 0.043 0.000 1.076 2146 V HN 0.508 nan 8.190 nan 0.000 0.446 2147 G N -0.521 108.253 108.800 -0.045 0.000 2.340 2147 G HA2 0.664 4.624 3.960 0.001 0.000 0.527 2147 G HA3 0.664 4.624 3.960 0.001 0.000 0.527 2147 G C -0.722 173.837 174.900 -0.568 0.000 1.381 2147 G CA -0.114 44.833 45.100 -0.255 0.000 1.001 2147 G HN 2.679 nan 8.290 nan 0.000 0.626 2148 A N -1.328 121.009 122.820 -0.805 0.000 2.608 2148 A HA 1.027 5.348 4.320 0.001 0.000 0.292 2148 A C 0.657 178.126 177.584 -0.193 0.000 1.066 2148 A CA 0.646 52.413 52.037 -0.450 0.000 0.676 2148 A CB 0.834 19.710 19.000 -0.208 0.000 1.277 2148 A HN 2.526 nan 8.150 nan 0.000 0.413 2149 A N 0.132 122.996 122.820 0.072 0.000 1.975 2149 A HA 0.211 4.531 4.320 0.001 0.000 0.215 2149 A C 1.968 179.712 177.584 0.266 0.000 1.170 2149 A CA 2.046 54.265 52.037 0.303 0.000 0.656 2149 A CB -0.693 18.494 19.000 0.311 0.000 0.821 2149 A HN 1.113 nan 8.150 nan 0.000 0.449 2150 S N 0.191 115.967 115.700 0.126 0.000 2.440 2150 S HA -0.139 4.331 4.470 0.001 0.000 0.238 2150 S C 1.885 176.406 174.600 -0.131 0.000 1.010 2150 S CA 1.709 59.933 58.200 0.040 0.000 0.972 2150 S CB -0.525 62.615 63.200 -0.101 0.000 0.774 2150 S HN 0.702 nan 8.310 nan 0.000 0.501 2151 T N 0.775 115.223 114.554 -0.178 0.000 2.759 2151 T HA -0.100 4.250 4.350 0.001 0.000 0.269 2151 T C 0.069 174.371 174.700 -0.663 0.000 1.042 2151 T CA 1.133 62.968 62.100 -0.441 0.000 1.140 2151 T CB -0.307 68.221 68.868 -0.566 0.000 0.864 2151 T HN 0.412 nan 8.240 nan 0.000 0.455 2152 Y N 1.594 121.713 120.300 -0.300 0.000 2.367 2152 Y HA 0.465 5.015 4.550 0.001 0.000 0.342 2152 Y C 0.053 175.703 175.900 -0.417 0.000 0.979 2152 Y CA -2.178 55.557 58.100 -0.609 0.000 1.161 2152 Y CB 0.459 38.275 38.460 -1.073 0.000 1.155 2152 Y HN -0.090 nan 8.280 nan 0.000 0.503 2153 D N 2.300 122.509 120.400 -0.318 0.000 2.317 2153 D HA 0.227 4.868 4.640 0.001 0.000 0.234 2153 D C 0.828 176.867 176.300 -0.436 0.000 1.112 2153 D CA -0.354 53.479 54.000 -0.279 0.000 0.840 2153 D CB 1.507 42.239 40.800 -0.113 0.000 1.078 2153 D HN 0.827 nan 8.370 nan 0.000 0.486 2154 G N 3.579 111.706 108.800 -1.121 0.000 3.262 2154 G HA2 -0.024 3.936 3.960 0.001 0.000 0.228 2154 G HA3 -0.024 3.936 3.960 0.001 0.000 0.228 2154 G C 1.367 175.993 174.900 -0.457 0.000 1.197 2154 G CA -0.229 44.448 45.100 -0.704 0.000 0.819 2154 G HN 0.549 nan 8.290 nan 0.000 0.531 2155 L N 0.237 121.262 121.223 -0.329 0.000 1.976 2155 L HA -0.061 4.279 4.340 0.001 0.000 0.209 2155 L C 3.121 179.968 176.870 -0.038 0.000 1.071 2155 L CA 1.691 56.519 54.840 -0.019 0.000 0.746 2155 L CB -0.279 41.820 42.059 0.068 0.000 0.890 2155 L HN 0.331 nan 8.230 nan 0.000 0.432 2156 A N -0.228 122.583 122.820 -0.014 0.000 1.845 2156 A HA -0.274 4.046 4.320 0.001 0.000 0.215 2156 A C 2.110 179.667 177.584 -0.046 0.000 1.195 2156 A CA 1.919 53.966 52.037 0.017 0.000 0.616 2156 A CB -1.030 18.015 19.000 0.075 0.000 0.832 2156 A HN 0.439 nan 8.150 nan 0.000 0.443 2157 L N -0.072 121.109 121.223 -0.069 0.000 1.990 2157 L HA -0.166 4.175 4.340 0.001 0.000 0.213 2157 L C 2.725 179.550 176.870 -0.075 0.000 1.072 2157 L CA 2.564 57.344 54.840 -0.100 0.000 0.755 2157 L CB -1.112 40.865 42.059 -0.136 0.000 0.889 2157 L HN 0.398 nan 8.230 nan 0.000 0.432 2158 A N -0.625 122.167 122.820 -0.046 0.000 1.865 2158 A HA -0.178 4.142 4.320 0.001 0.000 0.217 2158 A C 2.438 179.950 177.584 -0.120 0.000 1.191 2158 A CA 2.513 54.542 52.037 -0.014 0.000 0.623 2158 A CB -1.339 17.713 19.000 0.087 0.000 0.826 2158 A HN 0.639 nan 8.150 nan 0.000 0.444 2159 A N -1.569 121.087 122.820 -0.272 0.000 1.873 2159 A HA -0.155 4.165 4.320 0.001 0.000 0.215 2159 A C 2.115 179.131 177.584 -0.947 0.000 1.186 2159 A CA 1.509 53.150 52.037 -0.661 0.000 0.616 2159 A CB -0.946 17.502 19.000 -0.920 0.000 0.823 2159 A HN 0.675 nan 8.150 nan 0.000 0.442 2160 H N -0.554 118.079 119.070 -0.727 0.000 2.321 2160 H HA -0.040 4.517 4.556 0.001 0.000 0.300 2160 H C 1.053 176.312 175.328 -0.115 0.000 1.087 2160 H CA 1.630 57.460 56.048 -0.364 0.000 1.319 2160 H CB 0.184 29.752 29.762 -0.325 0.000 1.379 2160 H HN 0.411 nan 8.280 nan 0.000 0.501 2161 E N 0.425 120.623 120.200 -0.004 0.000 2.476 2161 E HA -0.022 4.328 4.350 0.001 0.000 0.196 2161 E C 0.078 176.686 176.600 0.014 0.000 1.029 2161 E CA -0.259 56.153 56.400 0.020 0.000 0.896 2161 E CB -0.207 29.500 29.700 0.011 0.000 1.012 2161 E HN 0.378 nan 8.360 nan 0.000 0.475 2162 N N 0.982 119.674 118.700 -0.014 0.000 2.696 2162 N HA -0.175 4.566 4.740 0.001 0.000 0.256 2162 N C -0.521 175.010 175.510 0.035 0.000 1.031 2162 N CA 0.691 53.748 53.050 0.011 0.000 0.730 2162 N CB -0.995 37.514 38.487 0.037 0.000 0.894 2162 N HN 0.033 nan 8.380 nan 0.000 0.544 2163 V N -2.644 117.293 119.914 0.039 0.000 3.001 2163 V HA 0.732 4.853 4.120 0.001 0.000 0.314 2163 V C 0.473 176.632 176.094 0.107 0.000 1.099 2163 V CA -0.962 61.377 62.300 0.064 0.000 0.989 2163 V CB 2.160 34.010 31.823 0.045 0.000 1.040 2163 V HN -0.096 nan 8.190 nan 0.000 0.434 2164 V N 2.629 122.626 119.914 0.139 0.000 2.406 2164 V HA 0.402 4.522 4.120 0.001 0.000 0.272 2164 V C 0.102 176.331 176.094 0.225 0.000 1.043 2164 V CA -0.237 62.180 62.300 0.194 0.000 0.915 2164 V CB 1.233 33.175 31.823 0.198 0.000 0.988 2164 V HN 0.722 nan 8.190 nan 0.000 0.466 2165 V N 6.191 126.276 119.914 0.285 0.000 2.394 2165 V HA 0.453 4.574 4.120 0.001 0.000 0.282 2165 V C -0.135 176.205 176.094 0.410 0.000 1.031 2165 V CA -0.456 62.050 62.300 0.342 0.000 0.881 2165 V CB 1.840 33.837 31.823 0.290 0.000 0.982 2165 V HN 0.599 nan 8.190 nan 0.000 0.451 2166 V N 4.242 124.385 119.914 0.381 0.000 2.409 2166 V HA 0.438 4.559 4.120 0.001 0.000 0.290 2166 V C 0.202 176.496 176.094 0.334 0.000 1.017 2166 V CA -0.533 61.958 62.300 0.317 0.000 0.841 2166 V CB 2.039 33.993 31.823 0.219 0.000 1.003 2166 V HN 0.998 nan 8.190 nan 0.000 0.426 2167 T N 3.996 118.761 114.554 0.352 0.000 2.799 2167 T HA 0.820 5.170 4.350 0.001 0.000 0.286 2167 T C -0.289 174.566 174.700 0.258 0.000 0.973 2167 T CA -0.482 61.833 62.100 0.359 0.000 1.035 2167 T CB 1.502 70.620 68.868 0.415 0.000 0.932 2167 T HN 0.654 nan 8.240 nan 0.000 0.469 2168 I N -0.135 120.565 120.570 0.217 0.000 3.133 2168 I HA 0.706 4.877 4.170 0.001 0.000 0.311 2168 I C -0.841 175.463 176.117 0.311 0.000 1.072 2168 I CA -1.405 60.006 61.300 0.185 0.000 1.015 2168 I CB 2.186 40.193 38.000 0.012 0.000 1.233 2168 I HN 0.574 nan 8.210 nan 0.000 0.473 2169 Q N 1.271 121.298 119.800 0.379 0.000 2.451 2169 Q HA 0.568 4.909 4.340 0.001 0.000 0.281 2169 Q C -2.013 174.240 176.000 0.422 0.000 1.099 2169 Q CA -0.795 55.215 55.803 0.345 0.000 0.806 2169 Q CB 3.030 31.916 28.738 0.247 0.000 1.419 2169 Q HN 0.711 nan 8.270 nan 0.000 0.427 2170 Y N -2.520 117.901 120.300 0.203 0.000 2.544 2170 Y HA 0.545 5.096 4.550 0.001 0.000 0.342 2170 Y C -0.785 175.176 175.900 0.101 0.000 1.062 2170 Y CA -1.431 56.754 58.100 0.142 0.000 1.023 2170 Y CB 0.834 39.339 38.460 0.075 0.000 1.308 2170 Y HN 0.419 nan 8.280 nan 0.000 0.457 2171 R N 2.109 122.701 120.500 0.154 0.000 2.638 2171 R HA 0.322 4.662 4.340 0.001 0.000 0.268 2171 R C -0.879 175.523 176.300 0.170 0.000 1.006 2171 R CA 0.335 56.487 56.100 0.086 0.000 1.088 2171 R CB 0.190 30.550 30.300 0.100 0.000 0.950 2171 R HN 0.711 nan 8.270 nan 0.000 0.419 2172 L N 1.010 122.346 121.223 0.189 0.000 2.279 2172 L HA 0.511 4.851 4.340 0.001 0.000 0.262 2172 L C 1.262 178.406 176.870 0.457 0.000 1.019 2172 L CA -0.546 54.489 54.840 0.327 0.000 0.823 2172 L CB 1.543 43.698 42.059 0.159 0.000 1.358 2172 L HN 0.889 nan 8.230 nan 0.000 0.432 2173 G N 0.483 109.532 108.800 0.414 0.000 2.627 2173 G HA2 -0.340 3.620 3.960 0.001 0.000 0.312 2173 G HA3 -0.340 3.620 3.960 0.001 0.000 0.312 2173 G C 0.857 175.980 174.900 0.373 0.000 1.299 2173 G CA 0.693 45.968 45.100 0.292 0.000 0.989 2173 G HN 0.656 nan 8.290 nan 0.000 0.547 2174 I N -0.450 120.276 120.570 0.260 0.000 2.163 2174 I HA -0.196 3.974 4.170 0.001 0.000 0.243 2174 I C 2.816 179.164 176.117 0.384 0.000 1.085 2174 I CA 2.326 63.745 61.300 0.198 0.000 1.347 2174 I CB -0.345 37.541 38.000 -0.191 0.000 1.044 2174 I HN 0.548 nan 8.210 nan 0.000 0.408 2175 W N 0.600 122.057 121.300 0.261 0.000 2.363 2175 W HA -0.083 4.577 4.660 -0.001 0.000 0.296 2175 W C 2.296 178.927 176.519 0.187 0.000 1.212 2175 W CA 1.237 58.646 57.345 0.105 0.000 1.260 2175 W CB -0.705 28.728 29.460 -0.046 0.000 1.131 2175 W HN 0.242 nan 8.180 nan 0.000 0.530 2176 G N -2.523 106.533 108.800 0.425 0.000 3.020 2176 G HA2 0.080 4.040 3.960 0.001 0.000 0.217 2176 G HA3 0.080 4.040 3.960 0.001 0.000 0.217 2176 G C 0.578 175.179 174.900 -0.498 0.000 1.144 2176 G CA 0.034 45.156 45.100 0.036 0.000 0.760 2176 G HN 0.114 nan 8.290 nan 0.000 0.548 2177 F N -0.904 119.280 119.950 0.390 0.000 2.899 2177 F HA 0.404 4.932 4.527 0.001 0.000 0.337 2177 F C 0.180 176.076 175.800 0.159 0.000 1.129 2177 F CA -1.677 56.414 58.000 0.152 0.000 1.128 2177 F CB 0.271 39.285 39.000 0.023 0.000 1.154 2177 F HN 0.001 nan 8.300 nan 0.000 0.531 2178 F N 2.105 122.252 119.950 0.330 0.000 2.578 2178 F HA 0.350 4.878 4.527 0.002 0.000 0.381 2178 F C 0.457 176.319 175.800 0.104 0.000 1.069 2178 F CA 0.435 58.520 58.000 0.142 0.000 1.231 2178 F CB 0.479 39.438 39.000 -0.068 0.000 1.086 2178 F HN -0.093 nan 8.300 nan 0.000 0.564 2179 S N 3.726 118.956 115.700 -0.785 0.000 2.619 2179 S HA 0.280 4.750 4.470 0.001 0.000 0.280 2179 S C 0.391 174.607 174.600 -0.640 0.000 1.150 2179 S CA -0.092 57.776 58.200 -0.554 0.000 0.978 2179 S CB 1.252 64.280 63.200 -0.287 0.000 1.041 2179 S HN 0.836 nan 8.310 nan 0.000 0.485 2180 T N 0.996 115.301 114.554 -0.416 0.000 3.107 2180 T HA 0.343 4.694 4.350 0.001 0.000 0.249 2180 T C 1.460 176.085 174.700 -0.126 0.000 1.096 2180 T CA 0.634 62.592 62.100 -0.238 0.000 1.012 2180 T CB -0.253 68.587 68.868 -0.046 0.000 0.977 2180 T HN 1.807 nan 8.240 nan 0.000 0.527 2181 G N 2.153 110.872 108.800 -0.135 0.000 2.143 2181 G HA2 -0.159 3.801 3.960 0.001 0.000 0.248 2181 G HA3 -0.159 3.801 3.960 0.001 0.000 0.248 2181 G C -0.322 174.545 174.900 -0.055 0.000 0.991 2181 G CA 0.372 45.417 45.100 -0.092 0.000 0.689 2181 G HN 1.000 nan 8.290 nan 0.000 0.522 2182 D N -2.787 117.591 120.400 -0.037 0.000 2.825 2182 D HA 0.404 5.044 4.640 0.001 0.000 0.327 2182 D C 1.275 177.547 176.300 -0.046 0.000 1.277 2182 D CA -0.033 53.947 54.000 -0.033 0.000 0.950 2182 D CB -0.325 40.474 40.800 -0.002 0.000 1.438 2182 D HN 0.119 nan 8.370 nan 0.000 0.526 2183 E N -0.073 120.051 120.200 -0.126 0.000 2.209 2183 E HA -0.277 4.074 4.350 0.001 0.000 0.196 2183 E C 0.979 177.493 176.600 -0.143 0.000 0.993 2183 E CA 1.422 57.726 56.400 -0.161 0.000 0.819 2183 E CB -0.701 28.855 29.700 -0.238 0.000 0.745 2183 E HN 0.561 nan 8.360 nan 0.000 0.477 2184 H N 0.328 119.452 119.070 0.091 0.000 2.491 2184 H HA 0.137 4.693 4.556 0.001 0.000 0.290 2184 H C 0.473 175.912 175.328 0.186 0.000 1.050 2184 H CA 1.266 57.384 56.048 0.116 0.000 1.309 2184 H CB 0.352 30.167 29.762 0.088 0.000 1.392 2184 H HN 0.140 nan 8.280 nan 0.000 0.554 2185 S N -0.467 115.404 115.700 0.286 0.000 2.891 2185 S HA 0.184 4.655 4.470 0.001 0.000 0.141 2185 S C 0.794 175.544 174.600 0.250 0.000 0.993 2185 S CA -0.575 57.890 58.200 0.441 0.000 1.051 2185 S CB 0.093 63.523 63.200 0.382 0.000 1.657 2185 S HN 0.169 nan 8.310 nan 0.000 0.482 2186 R N 1.431 122.020 120.500 0.148 0.000 2.103 2186 R HA 0.153 4.493 4.340 0.001 0.000 0.242 2186 R C 1.478 177.554 176.300 -0.374 0.000 1.142 2186 R CA 1.444 57.466 56.100 -0.130 0.000 0.960 2186 R CB -0.261 29.951 30.300 -0.146 0.000 0.858 2186 R HN 0.866 nan 8.270 nan 0.000 0.439 2187 G N -0.789 107.467 108.800 -0.907 0.000 2.466 2187 G HA2 -0.209 3.751 3.960 0.001 0.000 0.316 2187 G HA3 -0.209 3.751 3.960 0.001 0.000 0.316 2187 G C -0.709 173.389 174.900 -1.336 0.000 1.270 2187 G CA -0.409 44.005 45.100 -1.143 0.000 0.982 2187 G HN 0.253 nan 8.290 nan 0.000 0.506 2188 N N -1.192 117.063 118.700 -0.742 0.000 2.741 2188 N HA -0.201 4.540 4.740 0.001 0.000 0.250 2188 N C 1.142 176.359 175.510 -0.490 0.000 1.115 2188 N CA 1.998 54.818 53.050 -0.384 0.000 0.724 2188 N CB -1.626 36.808 38.487 -0.089 0.000 1.090 2188 N HN 0.727 nan 8.380 nan 0.000 0.558 2189 W N 0.402 121.544 121.300 -0.263 0.000 2.342 2189 W HA -0.072 4.589 4.660 0.003 0.000 0.297 2189 W C 2.460 178.819 176.519 -0.266 0.000 1.213 2189 W CA 0.740 57.976 57.345 -0.182 0.000 1.251 2189 W CB -0.667 28.734 29.460 -0.099 0.000 1.136 2189 W HN 0.288 nan 8.180 nan 0.000 0.526 2190 G N -0.244 108.257 108.800 -0.500 0.000 2.432 2190 G HA2 -0.247 3.713 3.960 0.001 0.000 0.219 2190 G HA3 -0.247 3.713 3.960 0.001 0.000 0.219 2190 G C 1.237 176.037 174.900 -0.166 0.000 1.135 2190 G CA 1.222 46.124 45.100 -0.330 0.000 0.767 2190 G HN 0.305 nan 8.290 nan 0.000 0.550 2191 H N 0.066 119.086 119.070 -0.084 0.000 2.436 2191 H HA 0.164 4.721 4.556 0.001 0.000 0.294 2191 H C 2.660 177.962 175.328 -0.042 0.000 1.048 2191 H CA 0.488 56.497 56.048 -0.064 0.000 1.353 2191 H CB -0.104 29.645 29.762 -0.023 0.000 1.414 2191 H HN 0.279 nan 8.280 nan 0.000 0.536 2192 L N 0.398 121.688 121.223 0.113 0.000 2.201 2192 L HA -0.129 4.211 4.340 0.001 0.000 0.212 2192 L C 1.908 178.870 176.870 0.153 0.000 1.105 2192 L CA 0.759 55.675 54.840 0.127 0.000 0.775 2192 L CB -0.112 42.051 42.059 0.174 0.000 0.913 2192 L HN 0.087 nan 8.230 nan 0.000 0.440 2193 D N -0.080 120.424 120.400 0.174 0.000 2.117 2193 D HA -0.174 4.466 4.640 0.001 0.000 0.198 2193 D C 2.256 178.677 176.300 0.202 0.000 0.982 2193 D CA 1.050 55.219 54.000 0.282 0.000 0.828 2193 D CB -0.108 40.889 40.800 0.328 0.000 0.967 2193 D HN 0.351 nan 8.370 nan 0.000 0.464 2194 Q N 0.229 120.068 119.800 0.064 0.000 2.096 2194 Q HA -0.107 4.234 4.340 0.001 0.000 0.204 2194 Q C 2.338 178.292 176.000 -0.077 0.000 0.982 2194 Q CA 0.939 56.697 55.803 -0.075 0.000 0.850 2194 Q CB 0.004 28.638 28.738 -0.173 0.000 0.901 2194 Q HN 0.141 nan 8.270 nan 0.000 0.422 2195 V N 0.609 120.519 119.914 -0.008 0.000 2.427 2195 V HA -0.237 3.884 4.120 0.001 0.000 0.248 2195 V C 2.151 178.271 176.094 0.044 0.000 1.051 2195 V CA 1.646 63.955 62.300 0.014 0.000 1.048 2195 V CB -0.861 30.987 31.823 0.042 0.000 0.666 2195 V HN 0.401 nan 8.190 nan 0.000 0.456 2196 A N 0.014 122.892 122.820 0.096 0.000 1.969 2196 A HA -0.010 4.310 4.320 0.001 0.000 0.218 2196 A C 2.379 180.001 177.584 0.064 0.000 1.169 2196 A CA 1.742 53.885 52.037 0.177 0.000 0.635 2196 A CB -0.568 18.640 19.000 0.348 0.000 0.810 2196 A HN 0.543 nan 8.150 nan 0.000 0.445 2197 A N -0.397 122.231 122.820 -0.321 0.000 1.968 2197 A HA 0.086 4.407 4.320 0.001 0.000 0.217 2197 A C 2.078 179.570 177.584 -0.152 0.000 1.169 2197 A CA 1.191 52.797 52.037 -0.719 0.000 0.638 2197 A CB -0.444 17.874 19.000 -1.138 0.000 0.812 2197 A HN 0.460 nan 8.150 nan 0.000 0.446 2198 L N -1.323 119.862 121.223 -0.063 0.000 2.156 2198 L HA -0.089 4.251 4.340 0.001 0.000 0.208 2198 L C 2.801 179.725 176.870 0.090 0.000 1.095 2198 L CA 0.905 55.765 54.840 0.033 0.000 0.770 2198 L CB -0.397 41.678 42.059 0.027 0.000 0.914 2198 L HN 0.346 nan 8.230 nan 0.000 0.439 2199 R N -0.995 119.566 120.500 0.102 0.000 2.092 2199 R HA -0.205 4.136 4.340 0.001 0.000 0.231 2199 R C 2.089 178.471 176.300 0.136 0.000 1.119 2199 R CA 1.691 57.855 56.100 0.107 0.000 0.970 2199 R CB -0.403 29.967 30.300 0.116 0.000 0.864 2199 R HN 0.368 nan 8.270 nan 0.000 0.440 2200 W N 1.001 122.320 121.300 0.032 0.000 2.335 2200 W HA -0.241 4.420 4.660 0.000 0.000 0.311 2200 W C 1.813 178.357 176.519 0.043 0.000 1.213 2200 W CA 1.403 58.788 57.345 0.066 0.000 1.274 2200 W CB -0.281 29.230 29.460 0.086 0.000 1.148 2200 W HN -0.226 nan 8.180 nan 0.000 0.498 2201 V N 0.884 120.979 119.914 0.303 0.000 2.287 2201 V HA -0.367 3.754 4.120 0.001 0.000 0.248 2201 V C 2.549 178.643 176.094 0.000 0.000 1.053 2201 V CA 2.188 64.594 62.300 0.178 0.000 1.027 2201 V CB -1.074 30.873 31.823 0.207 0.000 0.646 2201 V HN 0.229 nan 8.190 nan 0.000 0.447 2202 Q N -0.345 119.466 119.800 0.018 0.000 2.135 2202 Q HA -0.205 4.135 4.340 0.001 0.000 0.204 2202 Q C 1.907 177.858 176.000 -0.081 0.000 0.981 2202 Q CA 1.587 57.387 55.803 -0.005 0.000 0.856 2202 Q CB -0.420 28.328 28.738 0.016 0.000 0.902 2202 Q HN 0.667 nan 8.270 nan 0.000 0.425 2203 D N -0.626 119.676 120.400 -0.164 0.000 2.305 2203 D HA 0.010 4.651 4.640 0.001 0.000 0.206 2203 D C 1.103 177.187 176.300 -0.359 0.000 0.974 2203 D CA 0.444 54.302 54.000 -0.237 0.000 0.871 2203 D CB 0.193 40.845 40.800 -0.248 0.000 0.947 2203 D HN 0.264 nan 8.370 nan 0.000 0.516 2204 N N -0.129 118.250 118.700 -0.535 0.000 2.297 2204 N HA 0.013 4.753 4.740 0.001 0.000 0.208 2204 N C 1.606 176.977 175.510 -0.231 0.000 1.176 2204 N CA -0.202 52.501 53.050 -0.578 0.000 0.882 2204 N CB 0.924 38.608 38.487 -1.338 0.000 1.134 2204 N HN -0.020 nan 8.380 nan 0.000 0.489 2205 I N 2.842 123.321 120.570 -0.151 0.000 2.315 2205 I HA -0.211 3.959 4.170 0.001 0.000 0.251 2205 I C 2.221 178.428 176.117 0.150 0.000 1.125 2205 I CA 0.791 62.151 61.300 0.099 0.000 1.392 2205 I CB -0.420 37.640 38.000 0.100 0.000 1.065 2205 I HN 0.091 nan 8.210 nan 0.000 0.424 2206 A N -0.993 121.852 122.820 0.042 0.000 1.978 2206 A HA -0.210 4.110 4.320 0.001 0.000 0.220 2206 A C 2.403 179.993 177.584 0.009 0.000 1.170 2206 A CA 2.082 54.134 52.037 0.026 0.000 0.636 2206 A CB -0.953 18.036 19.000 -0.018 0.000 0.810 2206 A HN 0.483 nan 8.150 nan 0.000 0.448 2207 S N -1.123 114.556 115.700 -0.034 0.000 2.474 2207 S HA -0.010 4.461 4.470 0.001 0.000 0.235 2207 S C 0.792 175.193 174.600 -0.332 0.000 0.997 2207 S CA 0.820 58.904 58.200 -0.193 0.000 0.949 2207 S CB -0.380 62.642 63.200 -0.297 0.000 0.766 2207 S HN 0.571 nan 8.310 nan 0.000 0.517 2208 F N 0.802 120.729 119.950 -0.038 0.000 2.641 2208 F HA 0.376 4.903 4.527 0.000 0.000 0.302 2208 F C 1.665 177.502 175.800 0.062 0.000 1.098 2208 F CA -0.069 57.930 58.000 -0.001 0.000 1.318 2208 F CB 0.089 39.087 39.000 -0.005 0.000 1.035 2208 F HN 0.248 nan 8.300 nan 0.000 0.551 2209 G N 0.333 109.224 108.800 0.150 0.000 2.143 2209 G HA2 -0.170 3.790 3.960 0.001 0.000 0.249 2209 G HA3 -0.170 3.790 3.960 0.001 0.000 0.249 2209 G C 0.546 175.524 174.900 0.131 0.000 0.981 2209 G CA -0.174 45.002 45.100 0.128 0.000 0.665 2209 G HN 0.739 nan 8.290 nan 0.000 0.528 2210 G N -0.654 108.235 108.800 0.148 0.000 2.461 2210 G HA2 0.528 4.489 3.960 0.001 0.000 0.329 2210 G HA3 0.528 4.489 3.960 0.001 0.000 0.329 2210 G C -0.434 174.516 174.900 0.083 0.000 1.170 2210 G CA -0.181 44.994 45.100 0.125 0.000 0.935 2210 G HN 0.543 nan 8.290 nan 0.000 0.492 2211 N N 1.003 119.743 118.700 0.067 0.000 2.485 2211 N HA 0.319 5.060 4.740 0.001 0.000 0.243 2211 N C -1.185 174.356 175.510 0.051 0.000 0.987 2211 N CA -2.472 50.600 53.050 0.037 0.000 0.940 2211 N CB 2.063 40.555 38.487 0.009 0.000 1.122 2211 N HN 0.090 nan 8.380 nan 0.000 0.509 2212 P HA -0.028 nan 4.420 nan 0.000 0.228 2212 P C 0.912 178.290 177.300 0.130 0.000 1.151 2212 P CA 0.720 63.872 63.100 0.086 0.000 0.770 2212 P CB 0.135 31.863 31.700 0.047 0.000 0.786 2213 G N -0.830 107.979 108.800 0.015 0.000 2.813 2213 G HA2 -0.024 3.936 3.960 0.001 0.000 0.209 2213 G HA3 -0.024 3.936 3.960 0.001 0.000 0.209 2213 G C 0.582 175.166 174.900 -0.526 0.000 1.150 2213 G CA 0.166 45.166 45.100 -0.166 0.000 0.785 2213 G HN 0.367 nan 8.290 nan 0.000 0.535 2214 S N 0.116 115.733 115.700 -0.138 0.000 2.293 2214 S HA 0.473 4.944 4.470 0.001 0.000 0.154 2214 S C -0.923 173.774 174.600 0.162 0.000 1.602 2214 S CA -0.440 57.719 58.200 -0.068 0.000 1.260 2214 S CB 0.443 63.587 63.200 -0.094 0.000 1.270 2214 S HN -0.052 nan 8.310 nan 0.000 0.416 2215 V N 3.441 123.599 119.914 0.407 0.000 2.398 2215 V HA 0.539 4.659 4.120 0.001 0.000 0.286 2215 V C 0.229 176.471 176.094 0.247 0.000 1.026 2215 V CA -0.416 62.049 62.300 0.275 0.000 0.868 2215 V CB 1.772 33.747 31.823 0.253 0.000 0.982 2215 V HN 0.660 nan 8.190 nan 0.000 0.443 2216 T N 6.436 121.102 114.554 0.186 0.000 2.779 2216 T HA 0.588 4.939 4.350 0.001 0.000 0.280 2216 T C -0.138 174.706 174.700 0.241 0.000 0.987 2216 T CA -0.175 62.028 62.100 0.172 0.000 0.966 2216 T CB 0.809 69.711 68.868 0.056 0.000 0.933 2216 T HN 0.616 nan 8.240 nan 0.000 0.442 2217 I N 1.944 122.633 120.570 0.198 0.000 2.353 2217 I HA 0.841 5.011 4.170 0.001 0.000 0.293 2217 I C -0.857 175.440 176.117 0.300 0.000 0.992 2217 I CA -0.953 60.440 61.300 0.154 0.000 1.268 2217 I CB 0.732 38.598 38.000 -0.224 0.000 1.387 2217 I HN 0.465 nan 8.210 nan 0.000 0.478 2218 F N 3.303 123.279 119.950 0.042 0.000 2.613 2218 F HA 1.026 5.554 4.527 0.001 0.000 0.310 2218 F C -0.345 175.392 175.800 -0.105 0.000 1.085 2218 F CA -1.367 56.691 58.000 0.097 0.000 0.945 2218 F CB 1.347 40.528 39.000 0.302 0.000 1.298 2218 F HN 0.837 nan 8.300 nan 0.000 0.455 2219 G N 1.106 109.741 108.800 -0.274 0.000 2.523 2219 G HA2 0.541 4.501 3.960 0.001 0.000 0.291 2219 G HA3 0.541 4.501 3.960 0.001 0.000 0.291 2219 G C -2.413 172.248 174.900 -0.399 0.000 1.450 2219 G CA -0.801 43.689 45.100 -1.017 0.000 0.790 2219 G HN 1.094 nan 8.290 nan 0.000 0.496 2220 E N -0.687 119.268 120.200 -0.409 0.000 2.288 2220 E HA 0.769 5.119 4.350 0.001 0.000 0.268 2220 E C 0.532 177.143 176.600 0.018 0.000 0.885 2220 E CA 0.074 56.451 56.400 -0.038 0.000 0.767 2220 E CB 1.917 31.665 29.700 0.081 0.000 1.220 2220 E HN 1.425 nan 8.360 nan 0.000 0.427 2221 S N 1.845 117.642 115.700 0.162 0.000 4.118 2221 S HA -0.378 4.092 4.470 0.001 0.000 0.624 2221 S C 1.545 176.238 174.600 0.156 0.000 1.929 2221 S CA 2.121 60.514 58.200 0.321 0.000 4.219 2221 S CB -1.809 61.678 63.200 0.479 0.000 0.206 2221 S HN 1.580 nan 8.310 nan 0.000 0.525 2222 A N 0.958 123.858 122.820 0.133 0.000 2.024 2222 A HA 0.150 4.470 4.320 0.001 0.000 0.220 2222 A C 2.415 179.966 177.584 -0.055 0.000 1.164 2222 A CA 2.457 54.515 52.037 0.034 0.000 0.643 2222 A CB -1.488 17.546 19.000 0.055 0.000 0.806 2222 A HN 1.593 nan 8.150 nan 0.000 0.451 2223 G N -0.741 107.993 108.800 -0.109 0.000 2.421 2223 G HA2 0.099 4.059 3.960 0.001 0.000 0.217 2223 G HA3 0.099 4.059 3.960 0.001 0.000 0.217 2223 G C 1.451 176.199 174.900 -0.254 0.000 1.143 2223 G CA 1.116 46.032 45.100 -0.306 0.000 0.784 2223 G HN 0.654 nan 8.290 nan 0.000 0.541 2224 G N 0.348 109.074 108.800 -0.122 0.000 2.402 2224 G HA2 -0.148 3.813 3.960 0.001 0.000 0.216 2224 G HA3 -0.148 3.813 3.960 0.001 0.000 0.216 2224 G C 1.552 176.424 174.900 -0.047 0.000 1.162 2224 G CA 1.065 46.139 45.100 -0.043 0.000 0.777 2224 G HN 0.432 nan 8.290 nan 0.000 0.539 2225 E N 0.876 121.046 120.200 -0.050 0.000 2.150 2225 E HA -0.073 4.277 4.350 0.001 0.000 0.193 2225 E C 2.480 178.997 176.600 -0.137 0.000 0.985 2225 E CA 1.005 57.358 56.400 -0.078 0.000 0.814 2225 E CB -0.160 29.497 29.700 -0.072 0.000 0.752 2225 E HN 0.333 nan 8.360 nan 0.000 0.466 2226 S N 0.136 115.747 115.700 -0.147 0.000 2.355 2226 S HA -0.111 4.360 4.470 0.001 0.000 0.222 2226 S C 2.124 176.554 174.600 -0.284 0.000 1.031 2226 S CA 1.123 59.204 58.200 -0.198 0.000 0.993 2226 S CB -0.207 62.859 63.200 -0.222 0.000 0.859 2226 S HN 0.141 nan 8.310 nan 0.000 0.453 2227 V N 1.351 121.103 119.914 -0.271 0.000 2.332 2227 V HA -0.184 3.937 4.120 0.001 0.000 0.248 2227 V C 2.589 178.486 176.094 -0.327 0.000 1.055 2227 V CA 2.048 64.154 62.300 -0.322 0.000 1.038 2227 V CB -0.871 30.820 31.823 -0.220 0.000 0.651 2227 V HN 0.542 nan 8.190 nan 0.000 0.450 2228 S N -0.563 115.017 115.700 -0.199 0.000 2.359 2228 S HA -0.184 4.286 4.470 0.001 0.000 0.224 2228 S C 2.002 176.463 174.600 -0.232 0.000 1.035 2228 S CA 1.935 60.042 58.200 -0.155 0.000 1.018 2228 S CB -0.232 62.944 63.200 -0.040 0.000 0.876 2228 S HN 0.323 nan 8.310 nan 0.000 0.448 2229 V N 2.135 121.891 119.914 -0.263 0.000 2.287 2229 V HA -0.162 3.958 4.120 0.001 0.000 0.248 2229 V C 2.377 178.305 176.094 -0.276 0.000 1.053 2229 V CA 1.946 64.063 62.300 -0.304 0.000 1.027 2229 V CB -0.680 30.862 31.823 -0.468 0.000 0.646 2229 V HN 0.496 nan 8.190 nan 0.000 0.447 2230 L N -0.551 120.489 121.223 -0.305 0.000 2.131 2230 L HA -0.136 4.205 4.340 0.001 0.000 0.210 2230 L C 2.372 179.194 176.870 -0.080 0.000 1.092 2230 L CA 0.881 55.572 54.840 -0.248 0.000 0.759 2230 L CB -0.600 41.199 42.059 -0.433 0.000 0.903 2230 L HN 0.212 nan 8.230 nan 0.000 0.435 2231 V N 0.038 119.864 119.914 -0.145 0.000 2.626 2231 V HA -0.219 3.901 4.120 0.001 0.000 0.252 2231 V C 2.108 178.186 176.094 -0.026 0.000 1.067 2231 V CA 1.359 63.673 62.300 0.023 0.000 1.081 2231 V CB -0.208 31.443 31.823 -0.286 0.000 0.686 2231 V HN 0.397 nan 8.190 nan 0.000 0.468 2232 L N -0.948 120.179 121.223 -0.161 0.000 2.477 2232 L HA 0.164 4.505 4.340 0.001 0.000 0.220 2232 L C 1.255 178.096 176.870 -0.048 0.000 1.106 2232 L CA 0.242 54.965 54.840 -0.196 0.000 0.851 2232 L CB 0.039 41.942 42.059 -0.261 0.000 0.994 2232 L HN 0.213 nan 8.230 nan 0.000 0.462 2233 S N 0.899 116.582 115.700 -0.029 0.000 2.499 2233 S HA 0.261 4.732 4.470 0.001 0.000 0.279 2233 S C -1.357 173.268 174.600 0.042 0.000 1.219 2233 S CA -1.457 56.738 58.200 -0.008 0.000 1.062 2233 S CB 1.036 64.207 63.200 -0.050 0.000 0.978 2233 S HN -0.031 nan 8.310 nan 0.000 0.489 2234 P HA 0.007 nan 4.420 nan 0.000 0.229 2234 P C 1.345 178.653 177.300 0.014 0.000 1.160 2234 P CA 0.532 63.648 63.100 0.027 0.000 0.777 2234 P CB 0.120 31.832 31.700 0.020 0.000 0.814 2235 L N -0.606 120.627 121.223 0.016 0.000 2.291 2235 L HA -0.013 4.328 4.340 0.001 0.000 0.214 2235 L C 2.283 179.174 176.870 0.034 0.000 1.120 2235 L CA 1.261 56.113 54.840 0.020 0.000 0.799 2235 L CB -0.545 41.525 42.059 0.018 0.000 0.925 2235 L HN -0.026 nan 8.230 nan 0.000 0.446 2236 A N -0.073 122.783 122.820 0.061 0.000 2.348 2236 A HA 0.063 4.383 4.320 0.001 0.000 0.224 2236 A C 0.695 178.360 177.584 0.134 0.000 1.227 2236 A CA -0.375 51.739 52.037 0.129 0.000 0.885 2236 A CB -0.148 18.960 19.000 0.180 0.000 0.933 2236 A HN 0.312 nan 8.150 nan 0.000 0.506 2237 K N 0.917 121.329 120.400 0.019 0.000 2.447 2237 K HA 0.136 4.456 4.320 0.001 0.000 0.281 2237 K C -0.481 175.992 176.600 -0.211 0.000 1.031 2237 K CA 0.095 56.304 56.287 -0.130 0.000 1.019 2237 K CB 0.096 32.499 32.500 -0.162 0.000 0.918 2237 K HN 0.135 nan 8.250 nan 0.000 0.476 2238 N N 1.590 120.094 118.700 -0.328 0.000 2.999 2238 N HA -0.142 4.599 4.740 0.001 0.000 0.242 2238 N C -0.028 175.356 175.510 -0.210 0.000 1.016 2238 N CA 0.837 53.717 53.050 -0.283 0.000 0.894 2238 N CB -1.196 37.167 38.487 -0.206 0.000 1.113 2238 N HN 0.688 nan 8.380 nan 0.000 0.555 2239 L N -0.842 120.293 121.223 -0.145 0.000 2.638 2239 L HA 0.273 4.614 4.340 0.001 0.000 0.232 2239 L C 0.303 177.205 176.870 0.054 0.000 1.099 2239 L CA 0.305 55.154 54.840 0.016 0.000 0.883 2239 L CB 0.066 42.207 42.059 0.136 0.000 1.136 2239 L HN 0.160 nan 8.230 nan 0.000 0.492 2240 F N -4.160 115.597 119.950 -0.321 0.000 2.662 2240 F HA 0.483 5.011 4.527 0.001 0.000 0.312 2240 F C 0.457 175.923 175.800 -0.557 0.000 1.113 2240 F CA -0.997 56.801 58.000 -0.338 0.000 0.951 2240 F CB 0.782 39.704 39.000 -0.130 0.000 1.344 2240 F HN -0.125 nan 8.300 nan 0.000 0.462 2241 H N -0.074 119.014 119.070 0.031 0.000 3.170 2241 H HA 0.426 4.982 4.556 0.001 0.000 0.264 2241 H C -0.454 174.849 175.328 -0.042 0.000 1.113 2241 H CA -0.071 55.928 56.048 -0.081 0.000 1.194 2241 H CB 0.820 30.546 29.762 -0.061 0.000 1.553 2241 H HN 0.508 nan 8.280 nan 0.000 0.538 2242 R N 0.334 120.938 120.500 0.173 0.000 2.643 2242 R HA 0.704 5.045 4.340 0.001 0.000 0.269 2242 R C -1.365 175.104 176.300 0.281 0.000 1.037 2242 R CA -0.707 55.442 56.100 0.082 0.000 0.894 2242 R CB 2.570 32.707 30.300 -0.272 0.000 1.238 2242 R HN 0.073 nan 8.270 nan 0.000 0.459 2243 A N 2.613 125.638 122.820 0.343 0.000 2.435 2243 A HA 0.849 5.169 4.320 0.001 0.000 0.304 2243 A C -1.003 176.832 177.584 0.419 0.000 1.064 2243 A CA -0.753 51.426 52.037 0.236 0.000 0.727 2243 A CB 1.316 20.218 19.000 -0.164 0.000 1.284 2243 A HN 0.636 nan 8.150 nan 0.000 0.415 2244 I N 1.318 122.067 120.570 0.299 0.000 2.534 2244 I HA 0.268 4.438 4.170 0.001 0.000 0.286 2244 I C -0.402 175.879 176.117 0.273 0.000 1.094 2244 I CA -0.182 61.259 61.300 0.234 0.000 1.055 2244 I CB 2.309 40.353 38.000 0.073 0.000 1.225 2244 I HN 0.470 nan 8.210 nan 0.000 0.435 2245 S N 5.114 120.978 115.700 0.273 0.000 2.438 2245 S HA 0.363 4.833 4.470 0.001 0.000 0.316 2245 S C -0.416 174.273 174.600 0.148 0.000 1.084 2245 S CA -0.624 57.687 58.200 0.184 0.000 1.107 2245 S CB 0.912 64.224 63.200 0.187 0.000 0.981 2245 S HN 0.474 nan 8.310 nan 0.000 0.466 2246 E N 1.871 122.191 120.200 0.200 0.000 2.055 2246 E HA 0.326 4.677 4.350 0.001 0.000 0.274 2246 E C -0.413 176.282 176.600 0.159 0.000 0.949 2246 E CA -0.520 56.032 56.400 0.253 0.000 0.775 2246 E CB 0.929 30.855 29.700 0.378 0.000 1.097 2246 E HN 0.639 nan 8.360 nan 0.000 0.404 2247 S N 1.973 117.751 115.700 0.129 0.000 3.608 2247 S HA -0.145 4.326 4.470 0.001 0.000 0.382 2247 S C 0.054 174.914 174.600 0.434 0.000 0.945 2247 S CA 0.514 58.836 58.200 0.204 0.000 1.256 2247 S CB -1.121 62.092 63.200 0.023 0.000 0.913 2247 S HN 0.916 nan 8.310 nan 0.000 0.518 2248 G N -0.809 108.170 108.800 0.299 0.000 2.219 2248 G HA2 0.527 4.487 3.960 0.001 0.000 0.304 2248 G HA3 0.527 4.487 3.960 0.001 0.000 0.304 2248 G C -0.868 174.072 174.900 0.066 0.000 1.712 2248 G CA 0.084 45.309 45.100 0.210 0.000 0.905 2248 G HN 1.462 nan 8.290 nan 0.000 0.706 2249 V N -0.608 119.303 119.914 -0.005 0.000 3.202 2249 V HA 0.913 5.033 4.120 0.001 0.000 0.306 2249 V C 1.326 177.370 176.094 -0.085 0.000 1.283 2249 V CA -0.073 62.207 62.300 -0.034 0.000 1.065 2249 V CB 1.100 32.898 31.823 -0.042 0.000 1.079 2249 V HN 2.026 nan 8.190 nan 0.000 0.448 2250 A N -0.077 122.687 122.820 -0.093 0.000 2.076 2250 A HA 0.054 4.375 4.320 0.001 0.000 0.220 2250 A C 1.589 179.094 177.584 -0.133 0.000 1.160 2250 A CA 1.879 53.840 52.037 -0.126 0.000 0.653 2250 A CB -0.737 18.181 19.000 -0.138 0.000 0.801 2250 A HN 0.860 nan 8.150 nan 0.000 0.455 2251 L N -0.126 121.021 121.223 -0.126 0.000 2.612 2251 L HA 0.037 4.377 4.340 0.001 0.000 0.230 2251 L C 0.246 177.004 176.870 -0.186 0.000 1.140 2251 L CA 0.013 54.767 54.840 -0.143 0.000 0.896 2251 L CB -0.245 41.744 42.059 -0.116 0.000 1.065 2251 L HN 0.096 nan 8.230 nan 0.000 0.447 2252 T N -0.074 114.361 114.554 -0.197 0.000 3.455 2252 T HA 0.043 4.394 4.350 0.001 0.000 0.286 2252 T C 1.481 176.026 174.700 -0.258 0.000 1.157 2252 T CA 0.004 61.941 62.100 -0.271 0.000 1.090 2252 T CB 0.554 69.250 68.868 -0.287 0.000 1.112 2252 T HN 0.186 nan 8.240 nan 0.000 0.779 2253 S N 2.107 117.647 115.700 -0.267 0.000 2.429 2253 S HA -0.192 4.279 4.470 0.001 0.000 0.251 2253 S C 2.284 176.745 174.600 -0.230 0.000 1.104 2253 S CA 1.528 59.575 58.200 -0.256 0.000 1.130 2253 S CB -0.505 62.512 63.200 -0.304 0.000 1.000 2253 S HN 0.615 nan 8.310 nan 0.000 0.449 2254 V N 1.203 120.974 119.914 -0.240 0.000 2.688 2254 V HA -0.102 4.019 4.120 0.001 0.000 0.256 2254 V C 1.502 177.499 176.094 -0.161 0.000 1.084 2254 V CA 1.629 63.815 62.300 -0.191 0.000 1.103 2254 V CB -0.386 31.332 31.823 -0.174 0.000 0.688 2254 V HN 0.506 nan 8.190 nan 0.000 0.480 2255 L N -0.818 120.301 121.223 -0.172 0.000 2.585 2255 L HA 0.232 4.573 4.340 0.001 0.000 0.226 2255 L C 0.227 176.999 176.870 -0.164 0.000 1.113 2255 L CA -0.043 54.697 54.840 -0.168 0.000 0.876 2255 L CB 0.618 42.586 42.059 -0.152 0.000 1.072 2255 L HN 0.066 nan 8.230 nan 0.000 0.468 2256 V N 1.235 121.057 119.914 -0.153 0.000 2.378 2256 V HA 0.283 4.403 4.120 0.001 0.000 0.288 2256 V C -0.213 175.807 176.094 -0.124 0.000 1.016 2256 V CA -0.917 61.303 62.300 -0.133 0.000 0.840 2256 V CB 1.679 33.422 31.823 -0.134 0.000 0.994 2256 V HN 0.030 nan 8.190 nan 0.000 0.431 2257 K N 4.587 124.925 120.400 -0.104 0.000 2.276 2257 K HA 0.417 4.738 4.320 0.001 0.000 0.285 2257 K C -0.292 176.259 176.600 -0.082 0.000 1.062 2257 K CA -0.615 55.619 56.287 -0.089 0.000 0.918 2257 K CB 1.401 33.856 32.500 -0.075 0.000 1.055 2257 K HN 0.713 nan 8.250 nan 0.000 0.477 2258 K N 0.365 120.718 120.400 -0.080 0.000 2.207 2258 K HA 0.760 5.080 4.320 0.001 0.000 0.255 2258 K C 0.362 176.931 176.600 -0.052 0.000 0.941 2258 K CA -0.634 55.612 56.287 -0.070 0.000 0.825 2258 K CB 1.597 34.050 32.500 -0.079 0.000 1.119 2258 K HN 0.637 nan 8.250 nan 0.000 0.430 2259 G N 0.908 109.682 108.800 -0.044 0.000 2.582 2259 G HA2 -0.140 3.820 3.960 0.001 0.000 0.222 2259 G HA3 -0.140 3.820 3.960 0.001 0.000 0.222 2259 G C -1.420 173.460 174.900 -0.033 0.000 1.311 2259 G CA -0.460 44.621 45.100 -0.032 0.000 0.915 2259 G HN 0.851 nan 8.290 nan 0.000 0.528 2260 D N 0.659 121.044 120.400 -0.024 0.000 2.389 2260 D HA 0.243 4.884 4.640 0.001 0.000 0.263 2260 D C 1.877 178.156 176.300 -0.034 0.000 1.255 2260 D CA 0.728 54.712 54.000 -0.027 0.000 0.914 2260 D CB 0.982 41.773 40.800 -0.015 0.000 1.116 2260 D HN 1.222 nan 8.370 nan 0.000 0.502 2261 V N 2.312 122.194 119.914 -0.052 0.000 3.506 2261 V HA 0.055 4.176 4.120 0.001 0.000 0.263 2261 V C 2.093 178.140 176.094 -0.077 0.000 1.203 2261 V CA 0.309 62.568 62.300 -0.068 0.000 1.133 2261 V CB -0.104 31.660 31.823 -0.098 0.000 0.802 2261 V HN 0.204 nan 8.190 nan 0.000 0.459 2262 K N 1.971 122.333 120.400 -0.063 0.000 2.074 2262 K HA -0.072 4.249 4.320 0.001 0.000 0.209 2262 K C -0.139 176.442 176.600 -0.032 0.000 1.048 2262 K CA 2.352 58.607 56.287 -0.054 0.000 0.926 2262 K CB -1.675 30.807 32.500 -0.029 0.000 0.713 2262 K HN 0.449 nan 8.250 nan 0.000 0.444 2263 P HA -0.176 nan 4.420 nan 0.000 0.215 2263 P C 1.390 178.698 177.300 0.012 0.000 1.157 2263 P CA 1.061 64.162 63.100 0.001 0.000 0.868 2263 P CB 0.028 31.730 31.700 0.004 0.000 0.788 2264 L N -1.050 120.177 121.223 0.006 0.000 2.017 2264 L HA -0.212 4.128 4.340 0.001 0.000 0.208 2264 L C 2.232 179.134 176.870 0.052 0.000 1.073 2264 L CA 1.842 56.704 54.840 0.037 0.000 0.745 2264 L CB -0.907 41.170 42.059 0.030 0.000 0.894 2264 L HN -0.037 nan 8.230 nan 0.000 0.432 2265 A N -0.301 122.506 122.820 -0.022 0.000 1.883 2265 A HA -0.292 4.028 4.320 0.001 0.000 0.217 2265 A C 2.035 179.705 177.584 0.142 0.000 1.186 2265 A CA 2.058 54.093 52.037 -0.004 0.000 0.624 2265 A CB -0.601 18.265 19.000 -0.223 0.000 0.822 2265 A HN 0.533 nan 8.150 nan 0.000 0.444 2266 E N -1.055 119.188 120.200 0.071 0.000 2.110 2266 E HA -0.232 4.119 4.350 0.001 0.000 0.193 2266 E C 2.276 178.917 176.600 0.069 0.000 0.988 2266 E CA 1.252 57.693 56.400 0.069 0.000 0.804 2266 E CB -0.122 29.601 29.700 0.038 0.000 0.745 2266 E HN 0.781 nan 8.360 nan 0.000 0.458 2267 Q N 0.413 120.252 119.800 0.066 0.000 2.124 2267 Q HA -0.169 4.171 4.340 0.001 0.000 0.202 2267 Q C 2.090 178.135 176.000 0.074 0.000 0.977 2267 Q CA 1.153 56.990 55.803 0.056 0.000 0.850 2267 Q CB 0.058 28.826 28.738 0.050 0.000 0.901 2267 Q HN 0.323 nan 8.270 nan 0.000 0.429 2268 I N 0.209 120.856 120.570 0.129 0.000 2.233 2268 I HA -0.221 3.949 4.170 0.001 0.000 0.243 2268 I C 2.451 178.614 176.117 0.077 0.000 1.093 2268 I CA 0.799 62.185 61.300 0.143 0.000 1.380 2268 I CB -0.511 37.644 38.000 0.259 0.000 1.067 2268 I HN 0.229 nan 8.210 nan 0.000 0.413 2269 A N 1.551 124.426 122.820 0.091 0.000 1.865 2269 A HA -0.212 4.109 4.320 0.001 0.000 0.217 2269 A C 2.308 179.899 177.584 0.011 0.000 1.191 2269 A CA 1.740 53.794 52.037 0.027 0.000 0.623 2269 A CB -0.960 18.074 19.000 0.057 0.000 0.826 2269 A HN 0.375 nan 8.150 nan 0.000 0.444 2270 I N -0.489 120.096 120.570 0.025 0.000 2.208 2270 I HA -0.238 3.933 4.170 0.001 0.000 0.245 2270 I C 2.477 178.596 176.117 0.005 0.000 1.097 2270 I CA 1.802 63.109 61.300 0.012 0.000 1.363 2270 I CB -0.756 37.252 38.000 0.014 0.000 1.051 2270 I HN 0.253 nan 8.210 nan 0.000 0.413 2271 T N 0.606 115.165 114.554 0.009 0.000 2.849 2271 T HA -0.108 4.243 4.350 0.001 0.000 0.270 2271 T C 1.697 176.394 174.700 -0.005 0.000 1.066 2271 T CA 1.372 63.473 62.100 0.002 0.000 1.130 2271 T CB -0.167 68.704 68.868 0.006 0.000 0.864 2271 T HN 0.503 nan 8.240 nan 0.000 0.481 2272 A N 0.227 123.040 122.820 -0.012 0.000 2.275 2272 A HA 0.560 4.880 4.320 0.001 0.000 0.212 2272 A C 1.535 179.103 177.584 -0.028 0.000 1.201 2272 A CA 0.495 52.514 52.037 -0.029 0.000 0.843 2272 A CB -0.325 18.639 19.000 -0.059 0.000 0.873 2272 A HN 0.694 nan 8.150 nan 0.000 0.492 2273 G N -1.171 107.618 108.800 -0.019 0.000 2.370 2273 G HA2 -0.169 3.792 3.960 0.001 0.000 0.268 2273 G HA3 -0.169 3.792 3.960 0.001 0.000 0.268 2273 G C -0.220 174.668 174.900 -0.020 0.000 1.122 2273 G CA -0.056 45.034 45.100 -0.016 0.000 0.963 2273 G HN 0.651 nan 8.290 nan 0.000 0.500 2274 c N 0.224 118.813 118.600 -0.017 0.000 2.563 2274 c HA 0.653 5.223 4.570 0.001 0.000 0.314 2274 c C 0.781 174.870 174.090 -0.002 0.000 1.199 2274 c CA -1.188 55.131 56.329 -0.017 0.000 1.564 2274 c CB 1.628 44.118 42.510 -0.033 0.000 2.173 2274 c HN 0.669 nan 8.230 nan 0.000 0.485 2275 K N 0.746 121.148 120.400 0.003 0.000 2.276 2275 K HA 0.315 4.636 4.320 0.001 0.000 0.259 2275 K C 0.892 177.501 176.600 0.015 0.000 1.001 2275 K CA 0.196 56.488 56.287 0.009 0.000 0.927 2275 K CB 0.332 32.839 32.500 0.010 0.000 0.969 2275 K HN 0.855 nan 8.250 nan 0.000 0.490 2276 T N -3.099 111.465 114.554 0.016 0.000 3.182 2276 T HA 0.041 4.391 4.350 0.001 0.000 0.277 2276 T C 1.179 175.888 174.700 0.015 0.000 1.013 2276 T CA -0.334 61.779 62.100 0.022 0.000 0.900 2276 T CB -0.033 68.850 68.868 0.025 0.000 1.098 2276 T HN 0.469 nan 8.240 nan 0.000 0.543 2277 T N 3.029 117.589 114.554 0.009 0.000 2.635 2277 T HA -0.140 4.211 4.350 0.001 0.000 0.265 2277 T C 1.171 175.870 174.700 -0.001 0.000 1.058 2277 T CA 2.259 64.361 62.100 0.003 0.000 1.162 2277 T CB -0.676 68.191 68.868 -0.001 0.000 0.859 2277 T HN 0.887 nan 8.240 nan 0.000 0.449 2278 T N -2.800 111.750 114.554 -0.007 0.000 2.792 2278 T HA 0.521 4.871 4.350 0.001 0.000 0.303 2278 T C 0.922 175.609 174.700 -0.021 0.000 1.310 2278 T CA -0.245 61.844 62.100 -0.019 0.000 1.007 2278 T CB 1.678 70.515 68.868 -0.052 0.000 1.335 2278 T HN -0.145 nan 8.240 nan 0.000 0.504 2279 S N 0.384 116.073 115.700 -0.018 0.000 2.359 2279 S HA -0.065 4.406 4.470 0.001 0.000 0.224 2279 S C 2.480 177.046 174.600 -0.057 0.000 1.035 2279 S CA 1.616 59.827 58.200 0.018 0.000 1.018 2279 S CB -1.025 62.256 63.200 0.136 0.000 0.876 2279 S HN 0.953 nan 8.310 nan 0.000 0.448 2280 A N 1.111 123.736 122.820 -0.324 0.000 1.883 2280 A HA -0.083 4.238 4.320 0.001 0.000 0.217 2280 A C 2.348 179.884 177.584 -0.081 0.000 1.186 2280 A CA 1.752 53.586 52.037 -0.339 0.000 0.624 2280 A CB -1.002 17.658 19.000 -0.567 0.000 0.822 2280 A HN 0.354 nan 8.150 nan 0.000 0.444 2281 V N -0.167 119.710 119.914 -0.063 0.000 2.343 2281 V HA -0.335 3.785 4.120 0.001 0.000 0.247 2281 V C 2.617 178.745 176.094 0.057 0.000 1.051 2281 V CA 2.238 64.550 62.300 0.019 0.000 1.036 2281 V CB -0.771 31.054 31.823 0.002 0.000 0.654 2281 V HN 0.565 nan 8.190 nan 0.000 0.451 2282 M N -0.501 119.123 119.600 0.039 0.000 2.059 2282 M HA -0.167 4.314 4.480 0.001 0.000 0.259 2282 M C 2.262 178.567 176.300 0.008 0.000 1.072 2282 M CA 1.837 57.163 55.300 0.043 0.000 1.117 2282 M CB -0.519 32.144 32.600 0.104 0.000 1.320 2282 M HN 0.238 nan 8.290 nan 0.000 0.408 2283 V N -0.490 119.457 119.914 0.054 0.000 2.392 2283 V HA -0.306 3.815 4.120 0.001 0.000 0.249 2283 V C 2.260 178.390 176.094 0.061 0.000 1.059 2283 V CA 2.344 64.651 62.300 0.012 0.000 1.051 2283 V CB -1.137 30.763 31.823 0.128 0.000 0.658 2283 V HN 0.502 nan 8.190 nan 0.000 0.455 2284 H N -0.581 118.488 119.070 -0.001 0.000 2.321 2284 H HA -0.206 4.349 4.556 -0.000 0.000 0.300 2284 H C 2.376 177.699 175.328 -0.009 0.000 1.087 2284 H CA 2.253 58.302 56.048 0.002 0.000 1.319 2284 H CB -0.695 29.060 29.762 -0.012 0.000 1.379 2284 H HN 0.456 nan 8.280 nan 0.000 0.501 2285 c N 0.061 118.601 118.600 -0.101 0.000 2.432 2285 c HA -0.088 4.482 4.570 0.001 0.000 0.277 2285 c C 2.824 176.820 174.090 -0.156 0.000 1.249 2285 c CA 1.050 57.286 56.329 -0.156 0.000 1.725 2285 c CB -1.451 41.021 42.510 -0.064 0.000 2.028 2285 c HN 0.659 nan 8.230 nan 0.000 0.477 2286 L N 0.307 121.449 121.223 -0.135 0.000 2.131 2286 L HA -0.117 4.223 4.340 0.001 0.000 0.210 2286 L C 2.913 179.762 176.870 -0.035 0.000 1.092 2286 L CA 1.465 56.230 54.840 -0.126 0.000 0.759 2286 L CB -0.746 41.139 42.059 -0.289 0.000 0.903 2286 L HN 0.368 nan 8.230 nan 0.000 0.435 2287 R N -0.076 120.417 120.500 -0.012 0.000 2.285 2287 R HA -0.122 4.218 4.340 0.001 0.000 0.213 2287 R C 1.629 177.849 176.300 -0.132 0.000 1.068 2287 R CA 0.743 56.809 56.100 -0.056 0.000 1.004 2287 R CB -0.062 30.226 30.300 -0.020 0.000 0.873 2287 R HN 0.563 nan 8.270 nan 0.000 0.467 2288 Q N -0.152 119.546 119.800 -0.169 0.000 2.282 2288 Q HA 0.093 4.433 4.340 0.001 0.000 0.206 2288 Q C -0.220 175.718 176.000 -0.102 0.000 0.878 2288 Q CA 0.079 55.790 55.803 -0.153 0.000 0.944 2288 Q CB 0.704 29.318 28.738 -0.206 0.000 1.100 2288 Q HN -0.054 nan 8.270 nan 0.000 0.509 2289 K N 2.148 122.489 120.400 -0.097 0.000 2.218 2289 K HA 0.135 4.456 4.320 0.001 0.000 0.276 2289 K C 0.448 177.024 176.600 -0.040 0.000 1.022 2289 K CA 0.020 56.264 56.287 -0.070 0.000 0.946 2289 K CB 0.971 33.419 32.500 -0.087 0.000 1.000 2289 K HN 0.122 nan 8.250 nan 0.000 0.468 2290 T N -2.190 112.357 114.554 -0.012 0.000 2.766 2290 T HA 0.024 4.375 4.350 0.001 0.000 0.295 2290 T C 1.319 176.066 174.700 0.079 0.000 1.024 2290 T CA -0.443 61.669 62.100 0.020 0.000 1.018 2290 T CB 0.957 69.835 68.868 0.017 0.000 1.002 2290 T HN 0.651 nan 8.240 nan 0.000 0.532 2291 E N 0.371 120.647 120.200 0.126 0.000 2.110 2291 E HA -0.231 4.120 4.350 0.001 0.000 0.193 2291 E C 1.664 178.406 176.600 0.238 0.000 0.988 2291 E CA 1.510 58.066 56.400 0.261 0.000 0.804 2291 E CB -0.113 29.670 29.700 0.137 0.000 0.745 2291 E HN 0.783 nan 8.360 nan 0.000 0.458 2292 E N 1.071 121.344 120.200 0.121 0.000 2.058 2292 E HA -0.199 4.151 4.350 0.001 0.000 0.194 2292 E C 1.960 178.616 176.600 0.094 0.000 0.997 2292 E CA 1.676 58.133 56.400 0.094 0.000 0.801 2292 E CB -0.195 29.535 29.700 0.050 0.000 0.746 2292 E HN 0.412 nan 8.360 nan 0.000 0.450 2293 E N 0.340 120.580 120.200 0.065 0.000 2.077 2293 E HA -0.137 4.214 4.350 0.001 0.000 0.193 2293 E C 2.112 178.729 176.600 0.029 0.000 0.989 2293 E CA 0.840 57.260 56.400 0.034 0.000 0.800 2293 E CB -0.165 29.537 29.700 0.003 0.000 0.746 2293 E HN 0.213 nan 8.360 nan 0.000 0.452 2294 L N 0.536 121.774 121.223 0.026 0.000 2.141 2294 L HA -0.151 4.189 4.340 0.001 0.000 0.209 2294 L C 2.503 179.404 176.870 0.053 0.000 1.094 2294 L CA 0.290 55.071 54.840 -0.097 0.000 0.763 2294 L CB -0.267 41.545 42.059 -0.412 0.000 0.908 2294 L HN 0.208 nan 8.230 nan 0.000 0.437 2295 L N 0.121 121.516 121.223 0.286 0.000 2.056 2295 L HA -0.187 4.154 4.340 0.001 0.000 0.207 2295 L C 2.333 179.314 176.870 0.185 0.000 1.078 2295 L CA 1.767 56.813 54.840 0.343 0.000 0.749 2295 L CB -0.513 41.717 42.059 0.284 0.000 0.901 2295 L HN 0.194 nan 8.230 nan 0.000 0.433 2296 E N -1.130 119.141 120.200 0.119 0.000 2.110 2296 E HA -0.201 4.150 4.350 0.001 0.000 0.193 2296 E C 1.920 178.561 176.600 0.067 0.000 0.988 2296 E CA 1.747 58.193 56.400 0.077 0.000 0.804 2296 E CB -0.214 29.515 29.700 0.049 0.000 0.745 2296 E HN 0.541 nan 8.360 nan 0.000 0.458 2297 T N 0.520 115.110 114.554 0.059 0.000 2.746 2297 T HA -0.149 4.202 4.350 0.001 0.000 0.267 2297 T C 2.005 176.768 174.700 0.105 0.000 1.039 2297 T CA 1.691 63.820 62.100 0.049 0.000 1.142 2297 T CB -0.443 68.435 68.868 0.016 0.000 0.866 2297 T HN 0.194 nan 8.240 nan 0.000 0.444 2298 T N 2.483 117.143 114.554 0.178 0.000 2.635 2298 T HA -0.083 4.268 4.350 0.001 0.000 0.267 2298 T C 1.863 176.707 174.700 0.240 0.000 1.040 2298 T CA 0.936 63.237 62.100 0.335 0.000 1.156 2298 T CB -0.483 68.600 68.868 0.358 0.000 0.863 2298 T HN 0.067 nan 8.240 nan 0.000 0.430 2299 L N 1.036 122.350 121.223 0.153 0.000 2.083 2299 L HA -0.025 4.316 4.340 0.001 0.000 0.209 2299 L C 2.341 179.217 176.870 0.010 0.000 1.083 2299 L CA 1.651 56.542 54.840 0.086 0.000 0.752 2299 L CB -0.722 41.381 42.059 0.073 0.000 0.899 2299 L HN 0.238 nan 8.230 nan 0.000 0.433 2300 K N -1.440 118.957 120.400 -0.004 0.000 2.097 2300 K HA -0.106 4.214 4.320 0.001 0.000 0.205 2300 K C 1.908 178.431 176.600 -0.128 0.000 1.050 2300 K CA 0.953 57.212 56.287 -0.047 0.000 0.938 2300 K CB -0.168 32.314 32.500 -0.030 0.000 0.718 2300 K HN 0.203 nan 8.250 nan 0.000 0.442 2301 M N 1.059 120.533 119.600 -0.210 0.000 2.539 2301 M HA -0.071 4.409 4.480 0.001 0.000 0.261 2301 M C -0.078 175.830 176.300 -0.653 0.000 1.069 2301 M CA 1.030 56.019 55.300 -0.519 0.000 1.081 2301 M CB -0.711 31.355 32.600 -0.890 0.000 1.412 2301 M HN 0.065 nan 8.290 nan 0.000 0.482 2302 K N 0.899 121.084 120.400 -0.358 0.000 3.730 2302 K HA -0.189 4.132 4.320 0.001 0.000 0.276 2302 K C -0.634 175.839 176.600 -0.212 0.000 0.904 2302 K CA 0.172 56.338 56.287 -0.203 0.000 0.741 2302 K CB -1.839 30.579 32.500 -0.136 0.000 1.542 2302 K HN 0.150 nan 8.250 nan 0.000 0.446 2303 F N 0.483 120.456 119.950 0.039 0.000 2.375 2303 F HA 0.242 4.769 4.527 0.000 0.000 0.313 2303 F C 1.944 177.764 175.800 0.034 0.000 1.176 2303 F CA -0.499 57.524 58.000 0.039 0.000 1.142 2303 F CB 0.464 39.498 39.000 0.057 0.000 1.275 2303 F HN 0.143 nan 8.300 nan 0.000 0.544 2304 L N 0.775 122.154 121.223 0.260 0.000 3.737 2304 L HA -0.271 4.069 4.340 0.001 0.000 0.418 2304 L C -0.300 176.632 176.870 0.104 0.000 1.216 2304 L CA 0.329 55.257 54.840 0.147 0.000 0.915 2304 L CB -1.724 40.407 42.059 0.120 0.000 1.834 2304 L HN 0.557 nan 8.230 nan 0.000 0.943 2305 S N -0.143 115.613 115.700 0.092 0.000 2.548 2305 S HA 0.625 5.096 4.470 0.001 0.000 0.276 2305 S C -0.589 174.035 174.600 0.039 0.000 1.129 2305 S CA -0.770 57.464 58.200 0.057 0.000 0.931 2305 S CB 1.854 65.069 63.200 0.026 0.000 1.068 2305 S HN 0.223 nan 8.310 nan 0.000 0.480 2306 L N 4.040 125.280 121.223 0.029 0.000 2.418 2306 L HA 0.422 4.763 4.340 0.001 0.000 0.274 2306 L C -0.264 176.568 176.870 -0.065 0.000 1.135 2306 L CA 0.390 55.206 54.840 -0.041 0.000 0.870 2306 L CB 0.519 42.462 42.059 -0.193 0.000 1.154 2306 L HN 0.626 nan 8.230 nan 0.000 0.462 2307 D N 4.342 124.705 120.400 -0.062 0.000 2.365 2307 D HA 0.141 4.781 4.640 0.001 0.000 0.237 2307 D C 1.007 177.266 176.300 -0.068 0.000 1.190 2307 D CA 0.005 53.969 54.000 -0.060 0.000 0.867 2307 D CB 0.725 41.492 40.800 -0.055 0.000 1.050 2307 D HN 0.576 nan 8.370 nan 0.000 0.491 2308 L N 2.381 123.568 121.223 -0.060 0.000 2.044 2308 L HA -0.073 4.267 4.340 0.001 0.000 0.205 2308 L C 1.243 178.097 176.870 -0.026 0.000 1.075 2308 L CA 0.648 55.459 54.840 -0.049 0.000 0.747 2308 L CB -0.385 41.651 42.059 -0.040 0.000 0.903 2308 L HN 0.437 nan 8.230 nan 0.000 0.435 2309 Q N 1.056 120.842 119.800 -0.022 0.000 2.230 2309 Q HA 0.580 4.921 4.340 0.001 0.000 0.253 2309 Q C 0.079 176.071 176.000 -0.014 0.000 0.919 2309 Q CA 0.031 55.828 55.803 -0.010 0.000 0.908 2309 Q CB 2.047 30.780 28.738 -0.008 0.000 1.245 2309 Q HN 0.212 nan 8.270 nan 0.000 0.437 2310 G N 1.371 110.171 108.800 0.000 0.000 2.479 2310 G HA2 -0.152 3.808 3.960 0.001 0.000 0.686 2310 G HA3 -0.152 3.808 3.960 0.001 0.000 0.686 2310 G C -1.543 173.357 174.900 0.001 0.000 1.295 2310 G CA -0.576 44.522 45.100 -0.003 0.000 0.922 2310 G HN 0.741 nan 8.290 nan 0.000 0.582 2311 D N 0.881 121.281 120.400 -0.001 0.000 2.339 2311 D HA 0.378 5.018 4.640 0.001 0.000 0.256 2311 D C -0.824 175.414 176.300 -0.104 0.000 1.214 2311 D CA -1.581 52.417 54.000 -0.004 0.000 0.877 2311 D CB 1.461 42.272 40.800 0.018 0.000 1.111 2311 D HN -0.008 nan 8.370 nan 0.000 0.478 2312 P HA -0.124 nan 4.420 nan 0.000 0.216 2312 P C 0.906 178.064 177.300 -0.238 0.000 1.150 2312 P CA 1.137 64.022 63.100 -0.358 0.000 0.843 2312 P CB 0.196 31.396 31.700 -0.833 0.000 0.787 2313 R N -0.659 119.618 120.500 -0.371 0.000 2.357 2313 R HA -0.053 4.288 4.340 0.001 0.000 0.202 2313 R C 1.407 177.699 176.300 -0.013 0.000 1.047 2313 R CA 0.707 56.684 56.100 -0.205 0.000 1.034 2313 R CB -0.234 29.891 30.300 -0.292 0.000 0.875 2313 R HN 0.300 nan 8.270 nan 0.000 0.473 2314 E N -0.178 120.004 120.200 -0.030 0.000 2.453 2314 E HA 0.027 4.378 4.350 0.001 0.000 0.211 2314 E C 0.184 176.783 176.600 -0.001 0.000 0.897 2314 E CA 0.223 56.621 56.400 -0.004 0.000 1.063 2314 E CB 0.625 30.319 29.700 -0.010 0.000 1.080 2314 E HN 0.159 nan 8.360 nan 0.000 0.512 2315 S N 1.155 116.846 115.700 -0.016 0.000 2.549 2315 S HA 0.196 4.667 4.470 0.001 0.000 0.286 2315 S C 0.186 174.795 174.600 0.013 0.000 1.314 2315 S CA -0.305 57.886 58.200 -0.015 0.000 1.062 2315 S CB 1.257 64.437 63.200 -0.034 0.000 0.865 2315 S HN -0.061 nan 8.310 nan 0.000 0.498 2316 Q N 2.591 122.409 119.800 0.031 0.000 2.401 2316 Q HA 0.378 4.718 4.340 0.001 0.000 0.260 2316 Q C -1.622 174.476 176.000 0.163 0.000 1.034 2316 Q CA -2.154 53.703 55.803 0.090 0.000 0.737 2316 Q CB 1.663 30.483 28.738 0.136 0.000 1.227 2316 Q HN 0.567 nan 8.270 nan 0.000 0.488 2317 P HA -0.108 nan 4.420 nan 0.000 0.218 2317 P C -0.397 177.092 177.300 0.315 0.000 1.149 2317 P CA 0.913 64.118 63.100 0.175 0.000 0.817 2317 P CB 0.334 32.084 31.700 0.084 0.000 0.785 2318 L N -4.905 116.452 121.223 0.223 0.000 2.838 2318 L HA 0.454 4.795 4.340 0.001 0.000 0.266 2318 L C -1.150 175.651 176.870 -0.115 0.000 1.040 2318 L CA -1.418 53.424 54.840 0.003 0.000 0.906 2318 L CB 0.338 42.354 42.059 -0.072 0.000 1.501 2318 L HN -0.343 nan 8.230 nan 0.000 0.407 2319 L N 0.761 121.801 121.223 -0.305 0.000 2.275 2319 L HA 0.897 5.237 4.340 0.001 0.000 0.288 2319 L C 0.562 177.294 176.870 -0.229 0.000 1.046 2319 L CA 0.001 54.746 54.840 -0.158 0.000 0.805 2319 L CB 0.955 42.963 42.059 -0.084 0.000 1.193 2319 L HN 1.019 nan 8.230 nan 0.000 0.426 2320 G N 1.329 110.002 108.800 -0.213 0.000 3.135 2320 G HA2 0.420 4.380 3.960 0.001 0.000 0.278 2320 G HA3 0.420 4.380 3.960 0.001 0.000 0.278 2320 G C -0.852 173.906 174.900 -0.236 0.000 1.302 2320 G CA -0.433 44.411 45.100 -0.426 0.000 0.880 2320 G HN 0.369 nan 8.290 nan 0.000 0.574 2321 T N 0.446 114.885 114.554 -0.191 0.000 2.940 2321 T HA 0.413 4.763 4.350 0.001 0.000 0.309 2321 T C 0.494 175.191 174.700 -0.005 0.000 1.056 2321 T CA 0.484 62.620 62.100 0.061 0.000 1.137 2321 T CB 0.813 69.724 68.868 0.072 0.000 0.976 2321 T HN 1.258 nan 8.240 nan 0.000 0.547 2322 V N 0.159 120.078 119.914 0.007 0.000 3.141 2322 V HA 0.611 4.732 4.120 0.001 0.000 0.312 2322 V C -0.613 175.441 176.094 -0.067 0.000 1.157 2322 V CA -1.359 60.910 62.300 -0.052 0.000 1.041 2322 V CB 1.869 33.646 31.823 -0.076 0.000 1.071 2322 V HN 0.603 nan 8.190 nan 0.000 0.441 2323 I N 3.628 124.153 120.570 -0.075 0.000 2.260 2323 I HA 0.253 4.423 4.170 0.001 0.000 0.297 2323 I C 0.906 176.975 176.117 -0.079 0.000 1.143 2323 I CA 0.094 61.350 61.300 -0.074 0.000 1.271 2323 I CB -0.079 37.882 38.000 -0.065 0.000 1.461 2323 I HN 0.982 nan 8.210 nan 0.000 0.530 2324 D N 3.790 124.136 120.400 -0.091 0.000 2.249 2324 D HA -0.021 4.619 4.640 0.001 0.000 0.205 2324 D C 1.432 177.686 176.300 -0.077 0.000 0.962 2324 D CA 1.076 55.013 54.000 -0.106 0.000 0.860 2324 D CB 0.337 41.044 40.800 -0.156 0.000 0.955 2324 D HN 0.658 nan 8.370 nan 0.000 0.505 2325 G N -0.282 108.482 108.800 -0.061 0.000 2.175 2325 G HA2 -0.261 3.699 3.960 0.001 0.000 0.244 2325 G HA3 -0.261 3.699 3.960 0.001 0.000 0.244 2325 G C 0.874 175.754 174.900 -0.034 0.000 0.982 2325 G CA 0.617 45.691 45.100 -0.042 0.000 0.641 2325 G HN 0.255 nan 8.290 nan 0.000 0.527 2326 M N -1.433 118.141 119.600 -0.042 0.000 3.112 2326 M HA 0.440 4.920 4.480 0.001 0.000 0.229 2326 M C 2.201 178.484 176.300 -0.028 0.000 1.673 2326 M CA 1.008 56.292 55.300 -0.026 0.000 1.303 2326 M CB -1.170 31.416 32.600 -0.023 0.000 1.159 2326 M HN 0.240 nan 8.290 nan 0.000 0.588 2327 L N 0.736 121.932 121.223 -0.045 0.000 2.068 2327 L HA 0.192 4.532 4.340 0.001 0.000 0.204 2327 L C 0.236 177.067 176.870 -0.064 0.000 1.076 2327 L CA 1.496 56.306 54.840 -0.051 0.000 0.753 2327 L CB 0.156 42.178 42.059 -0.061 0.000 0.910 2327 L HN 0.137 nan 8.230 nan 0.000 0.439 2328 L N -0.053 121.128 121.223 -0.071 0.000 2.372 2328 L HA 0.251 4.592 4.340 0.001 0.000 0.274 2328 L C 0.469 177.306 176.870 -0.054 0.000 0.988 2328 L CA -0.376 54.422 54.840 -0.071 0.000 0.833 2328 L CB 1.943 43.946 42.059 -0.094 0.000 1.236 2328 L HN 0.079 nan 8.230 nan 0.000 0.410 2329 L N 1.975 123.176 121.223 -0.038 0.000 2.270 2329 L HA 0.093 4.433 4.340 0.001 0.000 0.210 2329 L C 0.634 177.486 176.870 -0.030 0.000 1.104 2329 L CA 1.011 55.834 54.840 -0.028 0.000 0.804 2329 L CB -0.289 41.762 42.059 -0.013 0.000 0.937 2329 L HN 0.620 nan 8.230 nan 0.000 0.450 2330 K N -0.870 119.510 120.400 -0.033 0.000 2.439 2330 K HA 0.412 4.732 4.320 0.001 0.000 0.260 2330 K C -0.411 176.159 176.600 -0.050 0.000 1.032 2330 K CA -0.731 55.535 56.287 -0.034 0.000 0.882 2330 K CB 0.908 33.397 32.500 -0.019 0.000 1.420 2330 K HN -0.179 nan 8.250 nan 0.000 0.455 2331 T N -1.633 112.890 114.554 -0.051 0.000 2.900 2331 T HA 0.076 4.426 4.350 0.001 0.000 0.307 2331 T C -1.946 172.711 174.700 -0.071 0.000 1.065 2331 T CA -1.063 60.998 62.100 -0.066 0.000 1.105 2331 T CB 0.437 69.267 68.868 -0.064 0.000 0.979 2331 T HN 0.208 nan 8.240 nan 0.000 0.544 2332 P HA -0.117 nan 4.420 nan 0.000 0.216 2332 P C 1.296 178.548 177.300 -0.081 0.000 1.150 2332 P CA 1.125 64.163 63.100 -0.104 0.000 0.843 2332 P CB 0.064 31.692 31.700 -0.120 0.000 0.787 2333 E N -0.230 119.930 120.200 -0.067 0.000 2.051 2333 E HA -0.187 4.164 4.350 0.001 0.000 0.192 2333 E C 1.945 178.535 176.600 -0.017 0.000 0.991 2333 E CA 1.247 57.622 56.400 -0.042 0.000 0.799 2333 E CB -0.779 28.894 29.700 -0.046 0.000 0.748 2333 E HN 0.413 nan 8.360 nan 0.000 0.449 2334 E N 0.201 120.389 120.200 -0.019 0.000 2.153 2334 E HA -0.146 4.205 4.350 0.001 0.000 0.194 2334 E C 1.986 178.599 176.600 0.022 0.000 0.988 2334 E CA 0.691 57.091 56.400 0.001 0.000 0.811 2334 E CB -0.099 29.597 29.700 -0.007 0.000 0.746 2334 E HN 0.237 nan 8.360 nan 0.000 0.466 2335 L N 0.665 121.891 121.223 0.005 0.000 2.240 2335 L HA -0.149 4.192 4.340 0.001 0.000 0.211 2335 L C 2.392 179.318 176.870 0.094 0.000 1.106 2335 L CA 0.797 55.657 54.840 0.034 0.000 0.793 2335 L CB -0.137 41.902 42.059 -0.035 0.000 0.927 2335 L HN 0.143 nan 8.230 nan 0.000 0.446 2336 Q N -0.170 119.657 119.800 0.045 0.000 2.020 2336 Q HA -0.111 4.229 4.340 0.001 0.000 0.198 2336 Q C 2.380 178.528 176.000 0.248 0.000 0.974 2336 Q CA 1.488 57.369 55.803 0.130 0.000 0.829 2336 Q CB -0.232 28.535 28.738 0.049 0.000 0.894 2336 Q HN 0.508 nan 8.270 nan 0.000 0.433 2337 A N 0.990 123.891 122.820 0.136 0.000 2.172 2337 A HA -0.180 4.141 4.320 0.001 0.000 0.216 2337 A C 1.710 179.357 177.584 0.104 0.000 1.154 2337 A CA 1.028 53.130 52.037 0.108 0.000 0.701 2337 A CB -0.320 18.719 19.000 0.066 0.000 0.789 2337 A HN 0.367 nan 8.150 nan 0.000 0.465 2338 E N -0.305 119.974 120.200 0.133 0.000 2.418 2338 E HA -0.105 4.245 4.350 0.001 0.000 0.197 2338 E C 0.074 176.728 176.600 0.090 0.000 1.026 2338 E CA -0.070 56.393 56.400 0.106 0.000 0.862 2338 E CB -0.027 29.741 29.700 0.113 0.000 0.799 2338 E HN 0.316 nan 8.360 nan 0.000 0.518 2339 R N 0.355 120.925 120.500 0.116 0.000 3.610 2339 R HA -0.233 4.107 4.340 0.001 0.000 0.274 2339 R C -0.793 175.390 176.300 -0.195 0.000 1.123 2339 R CA 1.003 57.044 56.100 -0.098 0.000 0.747 2339 R CB -2.828 27.417 30.300 -0.091 0.000 1.149 2339 R HN 0.201 nan 8.270 nan 0.000 0.471 2340 N N 0.506 119.204 118.700 -0.005 0.000 2.776 2340 N HA 0.402 5.142 4.740 0.001 0.000 0.245 2340 N C -1.476 174.165 175.510 0.217 0.000 1.121 2340 N CA -0.656 52.407 53.050 0.021 0.000 0.852 2340 N CB 0.512 39.041 38.487 0.071 0.000 1.142 2340 N HN 0.206 nan 8.380 nan 0.000 0.514 2341 F N -0.296 119.674 119.950 0.034 0.000 2.754 2341 F HA 0.245 4.772 4.527 0.001 0.000 0.327 2341 F C -0.880 174.964 175.800 0.073 0.000 1.068 2341 F CA -1.173 56.861 58.000 0.057 0.000 1.148 2341 F CB -0.308 38.729 39.000 0.062 0.000 1.418 2341 F HN 0.135 nan 8.300 nan 0.000 0.636 2342 H N 2.700 121.804 119.070 0.058 0.000 3.223 2342 H HA 0.234 4.790 4.556 0.001 0.000 0.287 2342 H C 0.378 175.716 175.328 0.017 0.000 0.910 2342 H CA 1.428 57.457 56.048 -0.032 0.000 1.406 2342 H CB 0.749 30.469 29.762 -0.071 0.000 1.377 2342 H HN 0.838 nan 8.280 nan 0.000 0.556 2343 T N 2.472 116.860 114.554 -0.277 0.000 2.889 2343 T HA 0.538 4.888 4.350 0.001 0.000 0.291 2343 T C 0.043 174.681 174.700 -0.103 0.000 0.995 2343 T CA -0.268 61.750 62.100 -0.137 0.000 1.092 2343 T CB 0.980 69.697 68.868 -0.251 0.000 0.954 2343 T HN 0.527 nan 8.240 nan 0.000 0.506 2344 V N -1.023 118.966 119.914 0.125 0.000 3.147 2344 V HA 0.715 4.835 4.120 0.001 0.000 0.306 2344 V C -3.298 172.977 176.094 0.302 0.000 1.209 2344 V CA -3.251 59.114 62.300 0.108 0.000 1.023 2344 V CB 1.599 33.440 31.823 0.029 0.000 1.059 2344 V HN 0.624 nan 8.190 nan 0.000 0.435 2345 P HA 0.200 nan 4.420 nan 0.000 0.266 2345 P C -1.442 176.215 177.300 0.596 0.000 1.215 2345 P CA 0.655 63.961 63.100 0.344 0.000 0.763 2345 P CB -0.255 31.472 31.700 0.045 0.000 0.806 2346 Y N 4.054 124.608 120.300 0.424 0.000 2.376 2346 Y HA 0.569 5.119 4.550 0.001 0.000 0.340 2346 Y C -0.517 175.418 175.900 0.058 0.000 0.965 2346 Y CA -1.607 56.591 58.100 0.164 0.000 1.078 2346 Y CB 1.531 39.716 38.460 -0.458 0.000 1.193 2346 Y HN 0.195 nan 8.280 nan 0.000 0.452 2347 M N 7.786 127.415 119.600 0.047 0.000 2.125 2347 M HA 0.512 4.993 4.480 0.001 0.000 0.321 2347 M C -2.282 173.801 176.300 -0.361 0.000 0.983 2347 M CA -0.700 54.373 55.300 -0.377 0.000 0.934 2347 M CB 1.014 33.058 32.600 -0.928 0.000 1.542 2347 M HN 0.428 nan 8.290 nan 0.000 0.424 2348 V N 4.690 124.331 119.914 -0.454 0.000 2.409 2348 V HA 0.869 4.990 4.120 0.001 0.000 0.291 2348 V C 0.310 176.129 176.094 -0.458 0.000 1.020 2348 V CA -0.500 61.523 62.300 -0.462 0.000 0.848 2348 V CB 1.417 32.877 31.823 -0.604 0.000 0.990 2348 V HN 0.997 nan 8.190 nan 0.000 0.430 2349 G N 4.197 112.658 108.800 -0.564 0.000 2.680 2349 G HA2 0.905 4.865 3.960 0.001 0.000 0.290 2349 G HA3 0.905 4.865 3.960 0.001 0.000 0.290 2349 G C -1.172 173.355 174.900 -0.623 0.000 1.355 2349 G CA -0.691 43.639 45.100 -1.284 0.000 0.903 2349 G HN 0.896 nan 8.290 nan 0.000 0.474 2350 I N -2.611 117.670 120.570 -0.482 0.000 3.191 2350 I HA 0.581 4.752 4.170 0.001 0.000 0.313 2350 I C -1.201 174.982 176.117 0.111 0.000 1.193 2350 I CA -1.343 59.905 61.300 -0.087 0.000 0.968 2350 I CB 2.457 40.431 38.000 -0.042 0.000 1.262 2350 I HN 0.412 nan 8.210 nan 0.000 0.456 2351 N N 1.524 120.308 118.700 0.140 0.000 2.417 2351 N HA 0.222 4.962 4.740 0.001 0.000 0.300 2351 N C 0.109 175.727 175.510 0.180 0.000 1.102 2351 N CA -0.784 52.416 53.050 0.251 0.000 0.886 2351 N CB 2.206 40.836 38.487 0.239 0.000 1.203 2351 N HN 0.538 nan 8.380 nan 0.000 0.496 2352 K N 0.977 121.498 120.400 0.201 0.000 2.089 2352 K HA -0.193 4.128 4.320 0.001 0.000 0.210 2352 K C 0.076 176.758 176.600 0.136 0.000 1.048 2352 K CA 1.906 58.281 56.287 0.147 0.000 0.926 2352 K CB 0.115 32.692 32.500 0.129 0.000 0.714 2352 K HN 0.563 nan 8.250 nan 0.000 0.448 2353 Q N -0.033 119.856 119.800 0.148 0.000 3.075 2353 Q HA 0.114 4.455 4.340 0.001 0.000 0.318 2353 Q C -0.272 175.814 176.000 0.144 0.000 0.907 2353 Q CA -0.301 55.590 55.803 0.147 0.000 0.882 2353 Q CB 1.401 30.227 28.738 0.148 0.000 1.386 2353 Q HN 0.150 nan 8.270 nan 0.000 0.408 2354 E N 0.133 120.391 120.200 0.097 0.000 2.171 2354 E HA -0.186 4.164 4.350 0.001 0.000 0.197 2354 E C 0.413 177.055 176.600 0.070 0.000 0.997 2354 E CA 1.273 57.664 56.400 -0.014 0.000 0.810 2354 E CB 0.145 29.633 29.700 -0.353 0.000 0.738 2354 E HN 0.438 nan 8.360 nan 0.000 0.467 2355 F N 0.252 120.195 119.950 -0.012 0.000 2.850 2355 F HA 0.301 4.828 4.527 0.001 0.000 0.306 2355 F C 1.617 177.418 175.800 0.000 0.000 1.162 2355 F CA -0.292 57.684 58.000 -0.041 0.000 1.327 2355 F CB 0.492 39.441 39.000 -0.084 0.000 0.953 2355 F HN -0.097 nan 8.300 nan 0.000 0.507 2356 G N 0.208 109.075 108.800 0.111 0.000 2.414 2356 G HA2 -0.260 3.700 3.960 0.001 0.000 0.215 2356 G HA3 -0.260 3.700 3.960 0.001 0.000 0.215 2356 G C 1.047 176.051 174.900 0.174 0.000 1.188 2356 G CA 1.312 46.504 45.100 0.153 0.000 0.783 2356 G HN 0.601 nan 8.290 nan 0.000 0.537 2357 W N -1.189 120.066 121.300 -0.075 0.000 5.441 2357 W HA 0.332 4.993 4.660 0.001 0.000 0.169 2357 W C 1.852 178.291 176.519 -0.132 0.000 1.574 2357 W CA 0.105 57.399 57.345 -0.084 0.000 2.017 2357 W CB -0.592 28.858 29.460 -0.017 0.000 0.678 2357 W HN 0.042 nan 8.180 nan 0.000 1.088 2358 L N 1.989 123.023 121.223 -0.316 0.000 1.976 2358 L HA -0.269 4.072 4.340 0.001 0.000 0.223 2358 L C 2.259 178.762 176.870 -0.613 0.000 1.081 2358 L CA 3.123 57.605 54.840 -0.596 0.000 0.784 2358 L CB -1.064 40.971 42.059 -0.041 0.000 0.896 2358 L HN 0.207 nan 8.230 nan 0.000 0.438 2359 I N -0.967 119.300 120.570 -0.505 0.000 2.179 2359 I HA -0.218 3.953 4.170 0.001 0.000 0.242 2359 I C -0.349 175.360 176.117 -0.679 0.000 1.088 2359 I CA 1.279 62.246 61.300 -0.554 0.000 1.357 2359 I CB -1.796 35.846 38.000 -0.596 0.000 1.051 2359 I HN 0.276 nan 8.210 nan 0.000 0.409 2360 P HA -0.163 nan 4.420 nan 0.000 0.218 2360 P C 1.075 178.176 177.300 -0.332 0.000 1.148 2360 P CA 1.216 63.875 63.100 -0.736 0.000 0.822 2360 P CB 0.003 31.294 31.700 -0.681 0.000 0.784 2364 M N 0.156 119.733 119.600 -0.038 0.000 2.561 2364 M HA 0.169 4.649 4.480 0.001 0.000 0.238 2364 M C 0.363 176.739 176.300 0.128 0.000 1.131 2364 M CA 0.238 55.593 55.300 0.091 0.000 1.046 2364 M CB 0.437 33.168 32.600 0.218 0.000 1.532 2364 M HN 0.200 nan 8.290 nan 0.000 0.497 2365 S N 0.564 116.310 115.700 0.077 0.000 3.697 2365 S HA -0.171 4.300 4.470 0.001 0.000 0.388 2365 S C -0.565 174.116 174.600 0.135 0.000 0.941 2365 S CA 0.202 58.447 58.200 0.075 0.000 1.247 2365 S CB -1.744 61.476 63.200 0.032 0.000 0.904 2365 S HN 0.414 nan 8.310 nan 0.000 0.518 2366 Y N 0.975 121.287 120.300 0.020 0.000 2.359 2366 Y HA 0.298 4.848 4.550 0.001 0.000 0.330 2366 Y C -1.550 174.397 175.900 0.079 0.000 1.143 2366 Y CA -1.568 56.585 58.100 0.087 0.000 1.318 2366 Y CB 0.371 38.925 38.460 0.157 0.000 1.234 2366 Y HN 0.108 nan 8.280 nan 0.000 0.522 2367 P HA 0.077 nan 4.420 nan 0.000 0.246 2367 P C -0.427 176.943 177.300 0.116 0.000 1.675 2367 P CA 0.678 63.820 63.100 0.069 0.000 0.908 2367 P CB -0.414 31.286 31.700 0.001 0.000 1.890 2368 L N -0.617 120.709 121.223 0.171 0.000 3.073 2368 L HA 0.203 4.544 4.340 0.001 0.000 0.242 2368 L C 1.730 178.674 176.870 0.122 0.000 1.317 2368 L CA 0.073 55.012 54.840 0.165 0.000 1.081 2368 L CB -0.089 42.111 42.059 0.234 0.000 1.456 2368 L HN 0.044 nan 8.230 nan 0.000 0.525 2369 S N 0.297 116.052 115.700 0.092 0.000 2.507 2369 S HA -0.090 4.381 4.470 0.001 0.000 0.235 2369 S C 1.497 176.136 174.600 0.065 0.000 0.988 2369 S CA 1.205 59.450 58.200 0.075 0.000 0.944 2369 S CB 0.125 63.359 63.200 0.057 0.000 0.762 2369 S HN 0.617 nan 8.310 nan 0.000 0.526 2370 E N -0.593 119.645 120.200 0.062 0.000 2.431 2370 E HA 0.262 4.612 4.350 0.001 0.000 0.200 2370 E C 1.404 178.038 176.600 0.057 0.000 0.995 2370 E CA 0.355 56.786 56.400 0.051 0.000 0.915 2370 E CB 0.030 29.753 29.700 0.038 0.000 0.930 2370 E HN 0.508 nan 8.360 nan 0.000 0.496 2371 G N 2.268 111.113 108.800 0.075 0.000 2.162 2371 G HA2 -0.330 3.631 3.960 0.001 0.000 0.260 2371 G HA3 -0.330 3.631 3.960 0.001 0.000 0.260 2371 G C 0.121 175.065 174.900 0.073 0.000 0.976 2371 G CA 0.944 46.093 45.100 0.082 0.000 0.655 2371 G HN 0.401 nan 8.290 nan 0.000 0.533 2372 Q N -1.469 118.367 119.800 0.059 0.000 2.451 2372 Q HA 0.903 5.243 4.340 0.001 0.000 0.281 2372 Q C -1.486 174.532 176.000 0.029 0.000 1.099 2372 Q CA -1.402 54.428 55.803 0.046 0.000 0.806 2372 Q CB 2.562 31.321 28.738 0.034 0.000 1.419 2372 Q HN 0.556 nan 8.270 nan 0.000 0.427 2373 L N 2.054 123.287 121.223 0.017 0.000 2.565 2373 L HA 0.358 4.699 4.340 0.001 0.000 0.261 2373 L C -1.945 174.913 176.870 -0.019 0.000 0.932 2373 L CA -0.162 54.663 54.840 -0.025 0.000 0.878 2373 L CB 2.265 44.281 42.059 -0.071 0.000 1.333 2373 L HN 0.904 nan 8.230 nan 0.000 0.409 2374 D N 3.503 123.885 120.400 -0.030 0.000 2.181 2374 D HA 0.190 4.831 4.640 0.001 0.000 0.248 2374 D C 0.303 176.590 176.300 -0.022 0.000 1.020 2374 D CA -0.509 53.483 54.000 -0.014 0.000 0.891 2374 D CB 1.570 42.365 40.800 -0.007 0.000 1.187 2374 D HN 0.461 nan 8.370 nan 0.000 0.443 2375 Q N 1.346 121.147 119.800 0.002 0.000 2.165 2375 Q HA -0.262 4.079 4.340 0.001 0.000 0.215 2375 Q C 1.647 177.649 176.000 0.003 0.000 1.010 2375 Q CA 2.003 57.814 55.803 0.013 0.000 0.896 2375 Q CB -0.219 28.533 28.738 0.024 0.000 0.956 2375 Q HN 0.610 nan 8.270 nan 0.000 0.413 2376 K N -0.566 119.832 120.400 -0.003 0.000 1.985 2376 K HA -0.081 4.239 4.320 0.001 0.000 0.210 2376 K C 2.296 178.887 176.600 -0.015 0.000 1.047 2376 K CA 1.637 57.922 56.287 -0.003 0.000 0.932 2376 K CB -0.279 32.219 32.500 -0.003 0.000 0.716 2376 K HN 0.151 nan 8.250 nan 0.000 0.439 2377 T N 1.313 115.846 114.554 -0.036 0.000 2.720 2377 T HA -0.193 4.158 4.350 0.001 0.000 0.268 2377 T C 1.948 176.576 174.700 -0.120 0.000 1.037 2377 T CA 1.421 63.485 62.100 -0.060 0.000 1.144 2377 T CB -0.336 68.490 68.868 -0.070 0.000 0.864 2377 T HN 0.363 nan 8.240 nan 0.000 0.444 2378 A N 1.633 124.352 122.820 -0.170 0.000 1.873 2378 A HA -0.150 4.171 4.320 0.001 0.000 0.218 2378 A C 2.331 179.869 177.584 -0.076 0.000 1.193 2378 A CA 1.900 53.751 52.037 -0.310 0.000 0.629 2378 A CB -0.743 18.159 19.000 -0.165 0.000 0.826 2378 A HN 0.499 nan 8.150 nan 0.000 0.447 2379 M N -0.208 119.414 119.600 0.036 0.000 2.279 2379 M HA -0.118 4.362 4.480 0.001 0.000 0.264 2379 M C 2.333 178.729 176.300 0.159 0.000 1.062 2379 M CA 1.476 56.851 55.300 0.124 0.000 1.099 2379 M CB -0.401 32.248 32.600 0.083 0.000 1.394 2379 M HN 0.454 nan 8.290 nan 0.000 0.426 2380 S N 1.063 116.821 115.700 0.098 0.000 2.338 2380 S HA -0.073 4.397 4.470 0.001 0.000 0.218 2380 S C 1.880 176.595 174.600 0.191 0.000 1.032 2380 S CA 1.080 59.361 58.200 0.136 0.000 0.999 2380 S CB -0.428 62.810 63.200 0.063 0.000 0.905 2380 S HN 0.403 nan 8.310 nan 0.000 0.439 2381 L N 0.751 122.042 121.223 0.113 0.000 2.012 2381 L HA -0.129 4.211 4.340 0.001 0.000 0.210 2381 L C 2.421 179.504 176.870 0.354 0.000 1.073 2381 L CA 0.977 55.923 54.840 0.176 0.000 0.748 2381 L CB -0.506 41.622 42.059 0.115 0.000 0.891 2381 L HN 0.269 nan 8.230 nan 0.000 0.431 2382 L N -0.632 120.874 121.223 0.471 0.000 2.189 2382 L HA -0.295 4.045 4.340 0.001 0.000 0.214 2382 L C 2.081 179.192 176.870 0.400 0.000 1.097 2382 L CA 1.823 56.947 54.840 0.473 0.000 0.764 2382 L CB -0.633 41.715 42.059 0.482 0.000 0.900 2382 L HN 0.409 nan 8.230 nan 0.000 0.436 2383 W N -0.295 121.117 121.300 0.187 0.000 2.481 2383 W HA -0.131 4.530 4.660 0.001 0.000 0.293 2383 W C 1.980 178.589 176.519 0.150 0.000 1.201 2383 W CA 0.424 57.862 57.345 0.155 0.000 1.328 2383 W CB 0.131 29.642 29.460 0.084 0.000 1.112 2383 W HN -0.005 nan 8.180 nan 0.000 0.546 2384 K N 0.683 121.107 120.400 0.040 0.000 2.148 2384 K HA -0.065 4.255 4.320 0.001 0.000 0.204 2384 K C 1.708 178.258 176.600 -0.084 0.000 1.050 2384 K CA 1.129 57.352 56.287 -0.107 0.000 0.942 2384 K CB -0.726 31.758 32.500 -0.027 0.000 0.724 2384 K HN 0.000 nan 8.250 nan 0.000 0.446 2385 S N 1.027 116.749 115.700 0.036 0.000 2.660 2385 S HA -0.041 4.430 4.470 0.001 0.000 0.223 2385 S C 1.217 175.825 174.600 0.013 0.000 0.963 2385 S CA -0.202 58.042 58.200 0.074 0.000 0.932 2385 S CB -0.387 62.927 63.200 0.189 0.000 0.775 2385 S HN 0.275 nan 8.310 nan 0.000 0.531 2386 Y N 3.989 124.174 120.300 -0.192 0.000 2.062 2386 Y HA -0.188 4.363 4.550 0.001 0.000 0.276 2386 Y C -0.831 174.971 175.900 -0.163 0.000 1.189 2386 Y CA 1.828 59.787 58.100 -0.236 0.000 1.130 2386 Y CB -1.302 36.831 38.460 -0.545 0.000 0.959 2386 Y HN 0.256 nan 8.280 nan 0.000 0.499 2387 P HA -0.177 nan 4.420 nan 0.000 0.223 2387 P C 1.241 178.417 177.300 -0.206 0.000 1.144 2387 P CA 1.737 64.727 63.100 -0.183 0.000 0.783 2387 P CB -0.130 31.538 31.700 -0.052 0.000 0.771 2388 L N -1.018 120.099 121.223 -0.177 0.000 2.269 2388 L HA 0.026 4.367 4.340 0.001 0.000 0.200 2388 L C 2.583 179.295 176.870 -0.264 0.000 1.069 2388 L CA 0.809 55.542 54.840 -0.177 0.000 0.804 2388 L CB -0.756 41.249 42.059 -0.089 0.000 0.987 2388 L HN -0.160 nan 8.230 nan 0.000 0.468 2389 V N -4.763 114.998 119.914 -0.255 0.000 3.307 2389 V HA 0.091 4.212 4.120 0.001 0.000 0.253 2389 V C 1.176 177.142 176.094 -0.213 0.000 1.149 2389 V CA -0.508 61.649 62.300 -0.238 0.000 1.112 2389 V CB -0.323 31.387 31.823 -0.189 0.000 0.777 2389 V HN 0.544 nan 8.190 nan 0.000 0.464 2390 C N 1.363 120.408 119.300 -0.426 0.000 4.209 2390 C HA -0.150 4.311 4.460 0.001 0.000 0.305 2390 C C 0.385 175.376 174.990 0.001 0.000 1.339 2390 C CA 0.074 58.684 59.018 -0.679 0.000 2.062 2390 C CB -2.914 24.491 27.740 -0.558 0.000 1.307 2390 C HN 0.655 nan 8.230 nan 0.000 0.706 2391 I N 1.095 121.852 120.570 0.312 0.000 2.354 2391 I HA 0.495 4.666 4.170 0.001 0.000 0.286 2391 I C 0.922 177.464 176.117 0.707 0.000 1.007 2391 I CA -0.084 61.551 61.300 0.560 0.000 1.167 2391 I CB 1.135 39.405 38.000 0.450 0.000 1.320 2391 I HN 0.510 nan 8.210 nan 0.000 0.458 2392 A N 5.724 128.917 122.820 0.622 0.000 2.565 2392 A HA -0.005 4.315 4.320 0.001 0.000 0.237 2392 A C 1.554 179.363 177.584 0.374 0.000 1.053 2392 A CA 0.063 52.416 52.037 0.527 0.000 0.755 2392 A CB 0.171 19.367 19.000 0.326 0.000 0.980 2392 A HN 0.939 nan 8.150 nan 0.000 0.506 2393 K N 1.160 121.645 120.400 0.141 0.000 2.144 2393 K HA -0.245 4.075 4.320 0.001 0.000 0.209 2393 K C 1.853 178.370 176.600 -0.139 0.000 1.047 2393 K CA 2.265 58.329 56.287 -0.372 0.000 0.927 2393 K CB -0.022 31.773 32.500 -1.174 0.000 0.716 2393 K HN 0.899 nan 8.250 nan 0.000 0.454 2394 E N 0.647 120.808 120.200 -0.065 0.000 2.204 2394 E HA -0.194 4.157 4.350 0.001 0.000 0.194 2394 E C 1.739 178.354 176.600 0.025 0.000 0.989 2394 E CA 1.056 57.439 56.400 -0.029 0.000 0.824 2394 E CB -0.208 29.483 29.700 -0.015 0.000 0.756 2394 E HN 0.453 nan 8.360 nan 0.000 0.477 2395 L N 0.441 121.714 121.223 0.083 0.000 2.509 2395 L HA 0.034 4.374 4.340 0.001 0.000 0.222 2395 L C 2.386 179.330 176.870 0.123 0.000 1.123 2395 L CA -0.179 54.715 54.840 0.090 0.000 0.856 2395 L CB -0.317 41.810 42.059 0.113 0.000 0.985 2395 L HN -0.006 nan 8.230 nan 0.000 0.456 2396 I N 1.074 121.736 120.570 0.154 0.000 2.145 2396 I HA -0.211 3.959 4.170 0.001 0.000 0.244 2396 I C 0.090 176.296 176.117 0.149 0.000 1.075 2396 I CA 2.084 63.498 61.300 0.189 0.000 1.332 2396 I CB -2.306 35.804 38.000 0.182 0.000 1.033 2396 I HN 0.182 nan 8.210 nan 0.000 0.410 2397 P HA -0.156 nan 4.420 nan 0.000 0.214 2397 P C 1.549 178.903 177.300 0.091 0.000 1.163 2397 P CA 1.480 64.626 63.100 0.078 0.000 0.883 2397 P CB -0.103 31.621 31.700 0.041 0.000 0.788 2398 E N -0.418 119.831 120.200 0.083 0.000 2.160 2398 E HA -0.187 4.164 4.350 0.001 0.000 0.195 2398 E C 1.980 178.690 176.600 0.185 0.000 0.991 2398 E CA 1.366 57.827 56.400 0.102 0.000 0.810 2398 E CB -0.569 29.162 29.700 0.051 0.000 0.742 2398 E HN 0.215 nan 8.360 nan 0.000 0.466 2399 A N 1.046 123.976 122.820 0.184 0.000 1.874 2399 A HA -0.084 4.236 4.320 0.001 0.000 0.214 2399 A C 2.403 180.131 177.584 0.241 0.000 1.189 2399 A CA 1.447 53.623 52.037 0.231 0.000 0.615 2399 A CB -0.680 18.490 19.000 0.283 0.000 0.830 2399 A HN 0.153 nan 8.150 nan 0.000 0.443 2400 T N -0.110 114.576 114.554 0.221 0.000 2.788 2400 T HA -0.131 4.220 4.350 0.001 0.000 0.268 2400 T C 1.860 176.662 174.700 0.169 0.000 1.044 2400 T CA 1.685 63.919 62.100 0.222 0.000 1.139 2400 T CB -0.191 68.791 68.868 0.189 0.000 0.867 2400 T HN 0.524 nan 8.240 nan 0.000 0.454 2401 E N 1.465 121.733 120.200 0.114 0.000 2.072 2401 E HA -0.092 4.259 4.350 0.001 0.000 0.191 2401 E C 2.117 178.722 176.600 0.009 0.000 0.985 2401 E CA 1.220 57.656 56.400 0.060 0.000 0.801 2401 E CB -0.221 29.505 29.700 0.043 0.000 0.750 2401 E HN 0.246 nan 8.360 nan 0.000 0.452 2402 K N -0.855 119.520 120.400 -0.043 0.000 2.063 2402 K HA -0.154 4.167 4.320 0.001 0.000 0.208 2402 K C 1.833 178.270 176.600 -0.272 0.000 1.048 2402 K CA 1.632 57.751 56.287 -0.280 0.000 0.928 2402 K CB -0.526 31.526 32.500 -0.747 0.000 0.713 2402 K HN 0.231 nan 8.250 nan 0.000 0.442 2403 Y N -0.166 120.052 120.300 -0.137 0.000 2.205 2403 Y HA 0.113 4.663 4.550 0.001 0.000 0.292 2403 Y C 1.931 177.839 175.900 0.013 0.000 1.119 2403 Y CA 1.076 59.149 58.100 -0.044 0.000 1.117 2403 Y CB -0.125 38.358 38.460 0.038 0.000 1.037 2403 Y HN -0.111 nan 8.280 nan 0.000 0.510 2404 L N -1.221 120.137 121.223 0.224 0.000 2.179 2404 L HA 0.023 4.364 4.340 0.001 0.000 0.208 2404 L C 2.428 179.347 176.870 0.081 0.000 1.096 2404 L CA 0.984 55.916 54.840 0.152 0.000 0.779 2404 L CB -1.157 40.998 42.059 0.160 0.000 0.922 2404 L HN 0.311 nan 8.230 nan 0.000 0.443 2405 G N 0.419 109.253 108.800 0.056 0.000 2.527 2405 G HA2 -0.184 3.777 3.960 0.001 0.000 0.219 2405 G HA3 -0.184 3.777 3.960 0.001 0.000 0.219 2405 G C 1.522 176.426 174.900 0.007 0.000 1.117 2405 G CA 0.711 45.826 45.100 0.024 0.000 0.759 2405 G HN 0.495 nan 8.290 nan 0.000 0.556 2406 G N -0.345 108.456 108.800 0.002 0.000 2.443 2406 G HA2 0.206 4.166 3.960 0.001 0.000 0.219 2406 G HA3 0.206 4.166 3.960 0.001 0.000 0.219 2406 G C 0.981 175.885 174.900 0.006 0.000 1.131 2406 G CA 1.659 46.754 45.100 -0.009 0.000 0.775 2406 G HN 0.798 nan 8.290 nan 0.000 0.547 2407 T N -4.793 109.773 114.554 0.020 0.000 2.669 2407 T HA 0.503 4.854 4.350 0.001 0.000 0.283 2407 T C -0.184 174.531 174.700 0.025 0.000 1.019 2407 T CA -0.285 61.828 62.100 0.022 0.000 1.039 2407 T CB 1.935 70.819 68.868 0.028 0.000 1.374 2407 T HN -0.157 nan 8.240 nan 0.000 0.523 2408 D N -0.568 119.847 120.400 0.024 0.000 2.473 2408 D HA 0.115 4.756 4.640 0.001 0.000 0.230 2408 D C -0.133 176.183 176.300 0.026 0.000 1.097 2408 D CA -0.044 53.969 54.000 0.023 0.000 0.861 2408 D CB 0.261 41.071 40.800 0.017 0.000 1.114 2408 D HN 0.597 nan 8.370 nan 0.000 0.500 2409 D N 2.208 122.626 120.400 0.029 0.000 2.502 2409 D HA -0.065 4.576 4.640 0.001 0.000 0.249 2409 D C 1.481 177.804 176.300 0.039 0.000 1.188 2409 D CA 0.418 54.437 54.000 0.032 0.000 0.890 2409 D CB 1.142 41.962 40.800 0.034 0.000 1.140 2409 D HN 0.102 nan 8.370 nan 0.000 0.505 2410 T N 0.515 115.089 114.554 0.034 0.000 2.833 2410 T HA -0.134 4.217 4.350 0.001 0.000 0.269 2410 T C 1.955 176.684 174.700 0.049 0.000 1.054 2410 T CA 0.805 62.927 62.100 0.036 0.000 1.135 2410 T CB -0.164 68.720 68.868 0.027 0.000 0.869 2410 T HN 0.250 nan 8.240 nan 0.000 0.466 2411 V N 1.096 121.040 119.914 0.050 0.000 2.719 2411 V HA 0.043 4.163 4.120 0.001 0.000 0.252 2411 V C 2.686 178.824 176.094 0.074 0.000 1.065 2411 V CA 1.267 63.603 62.300 0.060 0.000 1.086 2411 V CB -0.550 31.303 31.823 0.051 0.000 0.700 2411 V HN 0.446 nan 8.190 nan 0.000 0.467 2412 K N -0.113 120.328 120.400 0.067 0.000 2.228 2412 K HA -0.045 4.275 4.320 0.001 0.000 0.202 2412 K C 2.184 178.844 176.600 0.100 0.000 1.051 2412 K CA 0.701 57.034 56.287 0.076 0.000 0.960 2412 K CB 0.055 32.591 32.500 0.060 0.000 0.743 2412 K HN 0.386 nan 8.250 nan 0.000 0.458 2413 K N 0.677 121.135 120.400 0.096 0.000 2.031 2413 K HA -0.107 4.213 4.320 0.001 0.000 0.205 2413 K C 2.046 178.745 176.600 0.165 0.000 1.049 2413 K CA 0.841 57.200 56.287 0.119 0.000 0.939 2413 K CB 0.014 32.564 32.500 0.083 0.000 0.717 2413 K HN -0.081 nan 8.250 nan 0.000 0.438 2414 K N 1.565 122.049 120.400 0.140 0.000 2.103 2414 K HA -0.209 4.112 4.320 0.001 0.000 0.207 2414 K C 1.099 177.850 176.600 0.250 0.000 1.048 2414 K CA 1.726 58.124 56.287 0.184 0.000 0.930 2414 K CB -0.092 32.490 32.500 0.138 0.000 0.716 2414 K HN 0.128 nan 8.250 nan 0.000 0.444 2415 D N 0.456 120.972 120.400 0.194 0.000 2.234 2415 D HA -0.048 4.593 4.640 0.001 0.000 0.205 2415 D C 2.022 178.442 176.300 0.201 0.000 0.962 2415 D CA 0.474 54.587 54.000 0.187 0.000 0.855 2415 D CB 0.139 41.024 40.800 0.141 0.000 0.951 2415 D HN 0.219 nan 8.370 nan 0.000 0.500 2416 L N -0.177 121.177 121.223 0.218 0.000 2.131 2416 L HA -0.076 4.265 4.340 0.001 0.000 0.206 2416 L C 2.245 179.267 176.870 0.253 0.000 1.087 2416 L CA 0.353 55.342 54.840 0.249 0.000 0.767 2416 L CB -0.241 41.968 42.059 0.251 0.000 0.917 2416 L HN -0.055 nan 8.230 nan 0.000 0.441 2417 F N 0.709 120.723 119.950 0.106 0.000 2.161 2417 F HA -0.225 4.302 4.527 0.001 0.000 0.300 2417 F C 2.066 177.869 175.800 0.006 0.000 1.089 2417 F CA 1.500 59.532 58.000 0.053 0.000 1.282 2417 F CB -0.122 38.931 39.000 0.088 0.000 1.010 2417 F HN -0.093 nan 8.300 nan 0.000 0.485 2418 L N -0.444 120.826 121.223 0.078 0.000 2.109 2418 L HA -0.168 4.172 4.340 0.001 0.000 0.207 2418 L C 1.870 178.717 176.870 -0.038 0.000 1.086 2418 L CA 1.266 56.123 54.840 0.028 0.000 0.760 2418 L CB -0.787 41.414 42.059 0.237 0.000 0.910 2418 L HN 0.035 nan 8.230 nan 0.000 0.437 2419 D N 0.083 120.506 120.400 0.039 0.000 2.348 2419 D HA -0.099 4.541 4.640 0.001 0.000 0.216 2419 D C 2.032 178.294 176.300 -0.065 0.000 0.970 2419 D CA 0.703 54.748 54.000 0.075 0.000 0.889 2419 D CB 0.362 41.278 40.800 0.194 0.000 0.912 2419 D HN 0.199 nan 8.370 nan 0.000 0.524 2420 L N 0.585 121.605 121.223 -0.338 0.000 2.095 2420 L HA -0.049 4.292 4.340 0.001 0.000 0.204 2420 L C 1.869 178.382 176.870 -0.594 0.000 1.080 2420 L CA 1.157 55.536 54.840 -0.768 0.000 0.759 2420 L CB -0.270 41.321 42.059 -0.781 0.000 0.914 2420 L HN -0.143 nan 8.230 nan 0.000 0.439 2421 I N 0.276 120.449 120.570 -0.662 0.000 2.353 2421 I HA -0.133 4.037 4.170 0.001 0.000 0.248 2421 I C 2.631 178.462 176.117 -0.476 0.000 1.119 2421 I CA 1.286 62.128 61.300 -0.764 0.000 1.417 2421 I CB -1.819 35.346 38.000 -1.391 0.000 1.078 2421 I HN 0.346 nan 8.210 nan 0.000 0.421 2422 A N 0.535 123.216 122.820 -0.231 0.000 1.930 2422 A HA -0.187 4.133 4.320 0.001 0.000 0.217 2422 A C 1.968 179.584 177.584 0.053 0.000 1.175 2422 A CA 1.640 53.725 52.037 0.081 0.000 0.627 2422 A CB -0.459 18.634 19.000 0.155 0.000 0.815 2422 A HN 0.332 nan 8.150 nan 0.000 0.443 2423 D N -0.370 119.991 120.400 -0.066 0.000 2.149 2423 D HA -0.071 4.569 4.640 0.001 0.000 0.201 2423 D C 2.069 178.207 176.300 -0.269 0.000 0.972 2423 D CA 1.279 55.245 54.000 -0.056 0.000 0.835 2423 D CB -0.224 40.640 40.800 0.107 0.000 0.966 2423 D HN 0.228 nan 8.370 nan 0.000 0.476 2424 V N 0.862 120.471 119.914 -0.508 0.000 2.379 2424 V HA -0.180 3.940 4.120 0.001 0.000 0.245 2424 V C 2.476 178.322 176.094 -0.413 0.000 1.044 2424 V CA 1.213 63.137 62.300 -0.627 0.000 1.036 2424 V CB -0.275 31.084 31.823 -0.774 0.000 0.664 2424 V HN 0.170 nan 8.190 nan 0.000 0.453 2425 M N -1.472 117.883 119.600 -0.409 0.000 2.123 2425 M HA -0.025 4.456 4.480 0.001 0.000 0.263 2425 M C 1.934 177.798 176.300 -0.727 0.000 1.069 2425 M CA 2.183 57.115 55.300 -0.614 0.000 1.133 2425 M CB -0.188 31.949 32.600 -0.771 0.000 1.356 2425 M HN 0.353 nan 8.290 nan 0.000 0.415 2426 F N -1.666 118.225 119.950 -0.099 0.000 2.537 2426 F HA 0.345 4.873 4.527 0.001 0.000 0.275 2426 F C 2.411 178.169 175.800 -0.070 0.000 0.947 2426 F CA 0.278 58.245 58.000 -0.055 0.000 1.238 2426 F CB -1.478 37.531 39.000 0.015 0.000 1.071 2426 F HN 0.056 nan 8.300 nan 0.000 0.749 2427 G N 1.340 110.232 108.800 0.154 0.000 2.721 2427 G HA2 -0.261 3.699 3.960 0.001 0.000 0.218 2427 G HA3 -0.261 3.699 3.960 0.001 0.000 0.218 2427 G C 1.724 176.632 174.900 0.013 0.000 1.265 2427 G CA 2.191 47.328 45.100 0.062 0.000 0.796 2427 G HN 0.173 nan 8.290 nan 0.000 0.620 2428 V N 2.380 122.293 119.914 -0.001 0.000 2.233 2428 V HA -0.144 3.976 4.120 0.001 0.000 0.247 2428 V C 0.518 176.605 176.094 -0.012 0.000 1.050 2428 V CA 2.492 64.804 62.300 0.020 0.000 1.010 2428 V CB -1.496 30.336 31.823 0.015 0.000 0.637 2428 V HN 0.298 nan 8.190 nan 0.000 0.444 2429 P HA -0.162 nan 4.420 nan 0.000 0.216 2429 P C 2.028 179.286 177.300 -0.071 0.000 1.154 2429 P CA 2.162 65.216 63.100 -0.078 0.000 0.865 2429 P CB -0.123 31.496 31.700 -0.134 0.000 0.789 2430 S N -0.888 114.770 115.700 -0.071 0.000 2.356 2430 S HA -0.116 4.354 4.470 0.001 0.000 0.223 2430 S C 1.995 176.500 174.600 -0.157 0.000 1.032 2430 S CA 1.454 59.583 58.200 -0.118 0.000 1.005 2430 S CB -1.286 61.842 63.200 -0.119 0.000 0.867 2430 S HN -0.042 nan 8.310 nan 0.000 0.449 2431 V N 2.349 122.195 119.914 -0.114 0.000 2.287 2431 V HA -0.200 3.921 4.120 0.001 0.000 0.248 2431 V C 2.097 178.169 176.094 -0.036 0.000 1.053 2431 V CA 1.622 63.862 62.300 -0.100 0.000 1.027 2431 V CB -0.818 31.004 31.823 -0.002 0.000 0.646 2431 V HN 0.435 nan 8.190 nan 0.000 0.447 2432 I N -0.239 120.330 120.570 -0.002 0.000 2.163 2432 I HA -0.225 3.946 4.170 0.001 0.000 0.243 2432 I C 2.443 178.569 176.117 0.015 0.000 1.085 2432 I CA 1.395 62.713 61.300 0.030 0.000 1.347 2432 I CB -0.479 37.538 38.000 0.029 0.000 1.044 2432 I HN 0.153 nan 8.210 nan 0.000 0.408 2433 V N 1.151 121.045 119.914 -0.034 0.000 2.287 2433 V HA -0.344 3.777 4.120 0.001 0.000 0.248 2433 V C 2.729 178.808 176.094 -0.024 0.000 1.053 2433 V CA 2.174 64.456 62.300 -0.031 0.000 1.027 2433 V CB -1.089 30.686 31.823 -0.080 0.000 0.646 2433 V HN 0.525 nan 8.190 nan 0.000 0.447 2434 A N -0.328 122.404 122.820 -0.146 0.000 1.902 2434 A HA -0.227 4.093 4.320 0.001 0.000 0.217 2434 A C 2.370 180.001 177.584 0.079 0.000 1.181 2434 A CA 1.861 53.784 52.037 -0.189 0.000 0.623 2434 A CB -0.496 18.170 19.000 -0.557 0.000 0.818 2434 A HN 0.518 nan 8.150 nan 0.000 0.443 2435 R N -0.395 120.197 120.500 0.154 0.000 2.073 2435 R HA -0.159 4.181 4.340 0.001 0.000 0.234 2435 R C 2.033 178.450 176.300 0.195 0.000 1.134 2435 R CA 1.865 58.123 56.100 0.264 0.000 0.952 2435 R CB -0.493 29.933 30.300 0.210 0.000 0.850 2435 R HN 0.648 nan 8.270 nan 0.000 0.433 2436 N N -0.499 118.302 118.700 0.168 0.000 2.120 2436 N HA -0.186 4.554 4.740 0.001 0.000 0.188 2436 N C 1.682 177.347 175.510 0.258 0.000 1.024 2436 N CA 1.271 54.431 53.050 0.184 0.000 0.852 2436 N CB -0.252 38.337 38.487 0.169 0.000 1.003 2436 N HN 0.277 nan 8.380 nan 0.000 0.424 2437 H N 0.902 120.096 119.070 0.207 0.000 2.352 2437 H HA 0.005 4.562 4.556 0.001 0.000 0.299 2437 H C 2.208 177.654 175.328 0.197 0.000 1.097 2437 H CA 1.602 57.823 56.048 0.288 0.000 1.311 2437 H CB 0.101 30.030 29.762 0.279 0.000 1.377 2437 H HN 0.064 nan 8.280 nan 0.000 0.504 2438 R N 0.310 120.937 120.500 0.211 0.000 2.070 2438 R HA -0.129 4.212 4.340 0.001 0.000 0.233 2438 R C 1.241 177.567 176.300 0.043 0.000 1.137 2438 R CA 1.909 58.083 56.100 0.124 0.000 0.945 2438 R CB -0.262 30.159 30.300 0.202 0.000 0.845 2438 R HN 0.377 nan 8.270 nan 0.000 0.430 2439 D N 0.243 120.684 120.400 0.069 0.000 2.354 2439 D HA -0.118 4.522 4.640 0.001 0.000 0.216 2439 D C 0.999 177.294 176.300 -0.008 0.000 0.970 2439 D CA 1.127 55.147 54.000 0.032 0.000 0.905 2439 D CB 0.104 40.936 40.800 0.054 0.000 0.903 2439 D HN 0.417 nan 8.370 nan 0.000 0.508 2440 A N -0.563 122.234 122.820 -0.038 0.000 2.345 2440 A HA 0.466 4.787 4.320 0.001 0.000 0.225 2440 A C 1.718 179.193 177.584 -0.182 0.000 1.243 2440 A CA 0.696 52.653 52.037 -0.132 0.000 0.875 2440 A CB 0.069 18.947 19.000 -0.203 0.000 0.929 2440 A HN 0.183 nan 8.150 nan 0.000 0.502 2441 G N -1.808 106.915 108.800 -0.128 0.000 2.159 2441 G HA2 0.083 4.043 3.960 0.001 0.000 0.256 2441 G HA3 0.083 4.043 3.960 0.001 0.000 0.256 2441 G C 0.343 175.160 174.900 -0.137 0.000 0.977 2441 G CA 0.284 45.312 45.100 -0.119 0.000 0.652 2441 G HN 1.623 nan 8.290 nan 0.000 0.531 2442 A N 0.375 123.073 122.820 -0.204 0.000 2.301 2442 A HA 0.789 5.110 4.320 0.001 0.000 0.312 2442 A C -1.993 175.593 177.584 0.002 0.000 1.182 2442 A CA -1.507 50.421 52.037 -0.181 0.000 0.826 2442 A CB 0.908 19.590 19.000 -0.529 0.000 1.134 2442 A HN 0.088 nan 8.150 nan 0.000 0.501 2443 P HA 0.141 nan 4.420 nan 0.000 0.261 2443 P C -0.355 177.055 177.300 0.184 0.000 1.183 2443 P CA 0.877 64.032 63.100 0.091 0.000 0.761 2443 P CB 0.559 32.355 31.700 0.161 0.000 0.785 2444 T N 3.238 117.775 114.554 -0.028 0.000 2.907 2444 T HA 0.605 4.956 4.350 0.001 0.000 0.292 2444 T C -1.074 173.406 174.700 -0.366 0.000 1.043 2444 T CA -0.264 61.844 62.100 0.014 0.000 1.003 2444 T CB 0.891 69.855 68.868 0.161 0.000 1.084 2444 T HN 0.115 nan 8.240 nan 0.000 0.483 2445 Y N 0.757 121.019 120.300 -0.063 0.000 2.479 2445 Y HA 0.614 5.164 4.550 0.001 0.000 0.338 2445 Y C -0.204 175.638 175.900 -0.096 0.000 1.055 2445 Y CA -1.001 57.024 58.100 -0.125 0.000 1.023 2445 Y CB 1.889 40.017 38.460 -0.554 0.000 1.287 2445 Y HN 0.389 nan 8.280 nan 0.000 0.447 2446 M N 3.364 123.157 119.600 0.322 0.000 2.690 2446 M HA 0.616 5.096 4.480 0.001 0.000 0.302 2446 M C -1.598 175.015 176.300 0.522 0.000 1.234 2446 M CA -1.076 54.315 55.300 0.152 0.000 0.853 2446 M CB 3.378 35.869 32.600 -0.181 0.000 1.748 2446 M HN 0.756 nan 8.290 nan 0.000 0.469 2447 Y N -1.607 118.851 120.300 0.263 0.000 2.604 2447 Y HA 0.641 5.191 4.550 0.001 0.000 0.331 2447 Y C -1.778 174.236 175.900 0.189 0.000 1.158 2447 Y CA -0.994 57.244 58.100 0.230 0.000 1.056 2447 Y CB 1.354 39.930 38.460 0.193 0.000 1.330 2447 Y HN 0.703 nan 8.280 nan 0.000 0.457 2448 E N 2.983 123.444 120.200 0.435 0.000 2.199 2448 E HA 0.387 4.737 4.350 0.001 0.000 0.265 2448 E C -2.140 174.742 176.600 0.470 0.000 0.882 2448 E CA -0.970 55.627 56.400 0.328 0.000 0.759 2448 E CB 1.431 31.255 29.700 0.208 0.000 1.148 2448 E HN 0.628 nan 8.360 nan 0.000 0.412 2449 F N 3.799 123.965 119.950 0.361 0.000 2.405 2449 F HA 0.202 4.729 4.527 0.001 0.000 0.355 2449 F C -0.095 175.832 175.800 0.212 0.000 1.121 2449 F CA -0.161 58.009 58.000 0.284 0.000 1.112 2449 F CB 1.108 40.292 39.000 0.308 0.000 1.126 2449 F HN 0.437 nan 8.300 nan 0.000 0.481 2450 Q N 7.209 126.848 119.800 -0.269 0.000 2.965 2450 Q HA 0.211 4.551 4.340 0.001 0.000 0.288 2450 Q C -2.195 173.690 176.000 -0.192 0.000 0.974 2450 Q CA -0.422 55.307 55.803 -0.124 0.000 0.849 2450 Q CB 0.551 29.274 28.738 -0.026 0.000 1.280 2450 Q HN 0.787 nan 8.270 nan 0.000 0.441 2451 Y N 0.171 120.231 120.300 -0.399 0.000 2.571 2451 Y HA 0.442 4.992 4.550 0.001 0.000 0.341 2451 Y C -1.679 174.220 175.900 -0.002 0.000 1.076 2451 Y CA -1.019 56.923 58.100 -0.263 0.000 1.029 2451 Y CB 1.735 39.921 38.460 -0.457 0.000 1.308 2451 Y HN 0.348 nan 8.280 nan 0.000 0.461 2452 R N 6.532 126.663 120.500 -0.615 0.000 2.272 2452 R HA 0.444 4.785 4.340 0.001 0.000 0.323 2452 R C -2.814 173.246 176.300 -0.399 0.000 1.002 2452 R CA -2.074 53.825 56.100 -0.336 0.000 0.900 2452 R CB 0.835 30.948 30.300 -0.312 0.000 1.151 2452 R HN 0.418 nan 8.270 nan 0.000 0.507 2453 P HA -0.028 nan 4.420 nan 0.000 0.268 2453 P C 0.201 177.316 177.300 -0.309 0.000 1.205 2453 P CA 0.098 63.181 63.100 -0.028 0.000 0.771 2453 P CB 1.382 33.103 31.700 0.035 0.000 0.858 2454 S N 1.166 116.561 115.700 -0.509 0.000 2.555 2454 S HA -0.053 4.417 4.470 0.001 0.000 0.230 2454 S C 1.164 175.414 174.600 -0.584 0.000 0.978 2454 S CA 0.358 58.225 58.200 -0.554 0.000 0.934 2454 S CB -1.088 61.751 63.200 -0.602 0.000 0.766 2454 S HN 0.405 nan 8.310 nan 0.000 0.533 2455 F N 2.266 122.019 119.950 -0.328 0.000 2.797 2455 F HA 0.322 4.849 4.527 0.001 0.000 0.302 2455 F C 1.341 176.920 175.800 -0.368 0.000 1.130 2455 F CA -0.551 57.219 58.000 -0.383 0.000 1.387 2455 F CB -0.410 38.228 39.000 -0.604 0.000 1.107 2455 F HN 0.029 nan 8.300 nan 0.000 0.577 2456 S N 0.108 115.678 115.700 -0.216 0.000 2.563 2456 S HA -0.023 4.447 4.470 0.001 0.000 0.269 2456 S C 0.582 175.100 174.600 -0.138 0.000 1.364 2456 S CA -0.447 57.660 58.200 -0.155 0.000 1.010 2456 S CB 0.701 63.786 63.200 -0.191 0.000 0.877 2456 S HN 0.264 nan 8.310 nan 0.000 0.549 2457 S N 0.461 116.056 115.700 -0.175 0.000 2.592 2457 S HA 0.074 4.545 4.470 0.001 0.000 0.271 2457 S C 1.271 175.700 174.600 -0.286 0.000 1.326 2457 S CA -0.574 57.519 58.200 -0.178 0.000 1.024 2457 S CB 0.347 63.471 63.200 -0.126 0.000 0.921 2457 S HN 0.781 nan 8.310 nan 0.000 0.527 2458 D N 3.497 123.791 120.400 -0.177 0.000 2.178 2458 D HA -0.168 4.472 4.640 0.001 0.000 0.202 2458 D C 1.451 177.626 176.300 -0.209 0.000 0.974 2458 D CA 1.211 55.111 54.000 -0.168 0.000 0.841 2458 D CB -0.250 40.496 40.800 -0.091 0.000 0.953 2458 D HN 0.646 nan 8.370 nan 0.000 0.478 2459 M N -0.044 119.433 119.600 -0.205 0.000 2.686 2459 M HA 0.016 4.496 4.480 0.001 0.000 0.246 2459 M C 0.969 177.014 176.300 -0.426 0.000 1.096 2459 M CA 0.331 55.541 55.300 -0.149 0.000 1.076 2459 M CB -0.063 32.592 32.600 0.092 0.000 1.504 2459 M HN -0.146 nan 8.290 nan 0.000 0.524 2460 K N 3.022 122.922 120.400 -0.834 0.000 2.248 2460 K HA 0.266 4.587 4.320 0.001 0.000 0.281 2460 K C -2.295 173.972 176.600 -0.556 0.000 1.054 2460 K CA -1.856 53.687 56.287 -1.239 0.000 0.903 2460 K CB 0.938 32.559 32.500 -1.466 0.000 1.077 2460 K HN -0.104 nan 8.250 nan 0.000 0.474 2461 P HA -0.034 nan 4.420 nan 0.000 0.264 2461 P C -0.609 176.600 177.300 -0.153 0.000 1.193 2461 P CA 0.200 63.202 63.100 -0.163 0.000 0.763 2461 P CB 0.684 32.354 31.700 -0.049 0.000 0.810 2462 K N 1.220 121.544 120.400 -0.127 0.000 2.442 2462 K HA -0.075 4.246 4.320 0.001 0.000 0.198 2462 K C 1.705 178.252 176.600 -0.087 0.000 1.044 2462 K CA 1.648 57.864 56.287 -0.119 0.000 0.948 2462 K CB -0.421 32.014 32.500 -0.107 0.000 0.762 2462 K HN 0.620 nan 8.250 nan 0.000 0.472 2463 T N -1.999 112.523 114.554 -0.054 0.000 3.043 2463 T HA 0.037 4.388 4.350 0.001 0.000 0.263 2463 T C 0.893 175.587 174.700 -0.011 0.000 1.094 2463 T CA -0.167 61.917 62.100 -0.027 0.000 1.127 2463 T CB -0.115 68.753 68.868 -0.001 0.000 0.905 2463 T HN -0.187 nan 8.240 nan 0.000 0.490 2464 V N 2.819 122.729 119.914 -0.007 0.000 2.450 2464 V HA 0.291 4.412 4.120 0.001 0.000 0.281 2464 V C 0.111 176.213 176.094 0.014 0.000 1.019 2464 V CA -0.051 62.269 62.300 0.033 0.000 1.062 2464 V CB -0.322 31.541 31.823 0.067 0.000 0.979 2464 V HN 0.461 nan 8.190 nan 0.000 0.477 2465 I N 3.795 124.387 120.570 0.036 0.000 2.436 2465 I HA 0.611 4.781 4.170 0.001 0.000 0.289 2465 I C 0.889 177.065 176.117 0.097 0.000 1.010 2465 I CA -0.519 60.793 61.300 0.020 0.000 1.098 2465 I CB 1.777 39.766 38.000 -0.019 0.000 1.266 2465 I HN 0.778 nan 8.210 nan 0.000 0.434 2466 G N 3.679 112.575 108.800 0.160 0.000 2.298 2466 G HA2 -0.241 3.720 3.960 0.001 0.000 0.287 2466 G HA3 -0.241 3.720 3.960 0.001 0.000 0.287 2466 G C -0.282 174.780 174.900 0.270 0.000 1.075 2466 G CA 0.055 45.329 45.100 0.289 0.000 0.960 2466 G HN 0.751 nan 8.290 nan 0.000 0.502 2467 D N -0.913 119.645 120.400 0.263 0.000 2.384 2467 D HA 0.359 4.999 4.640 0.001 0.000 0.244 2467 D C 0.951 177.416 176.300 0.276 0.000 1.251 2467 D CA -0.442 53.716 54.000 0.262 0.000 0.961 2467 D CB 0.348 41.329 40.800 0.302 0.000 1.116 2467 D HN 0.386 nan 8.370 nan 0.000 0.484 2468 H N -0.448 118.710 119.070 0.147 0.000 3.070 2468 H HA 0.290 4.846 4.556 0.001 0.000 0.313 2468 H C 1.314 176.822 175.328 0.300 0.000 0.997 2468 H CA 1.741 57.856 56.048 0.111 0.000 1.438 2468 H CB 0.027 29.809 29.762 0.033 0.000 1.455 2468 H HN 0.594 nan 8.280 nan 0.000 0.575 2469 G N 4.292 112.942 108.800 -0.250 0.000 2.179 2469 G HA2 -0.333 3.628 3.960 0.001 0.000 0.260 2469 G HA3 -0.333 3.628 3.960 0.001 0.000 0.260 2469 G C 1.149 176.077 174.900 0.046 0.000 0.977 2469 G CA 0.518 45.491 45.100 -0.211 0.000 0.641 2469 G HN 0.660 nan 8.290 nan 0.000 0.533 2470 D N 0.814 121.341 120.400 0.212 0.000 2.219 2470 D HA -0.040 4.600 4.640 0.001 0.000 0.205 2470 D C 2.419 178.792 176.300 0.122 0.000 0.970 2470 D CA 1.332 55.569 54.000 0.395 0.000 0.851 2470 D CB -0.051 41.043 40.800 0.490 0.000 0.943 2470 D HN 0.706 nan 8.370 nan 0.000 0.488 2471 E N 1.261 121.198 120.200 -0.438 0.000 2.347 2471 E HA -0.127 4.223 4.350 0.001 0.000 0.196 2471 E C 2.145 178.452 176.600 -0.487 0.000 1.008 2471 E CA 0.231 55.985 56.400 -1.076 0.000 0.852 2471 E CB -0.671 28.375 29.700 -1.090 0.000 0.783 2471 E HN 0.326 nan 8.360 nan 0.000 0.505 2472 L N -0.242 120.797 121.223 -0.306 0.000 2.042 2472 L HA -0.151 4.189 4.340 0.001 0.000 0.210 2472 L C 2.556 179.265 176.870 -0.269 0.000 1.076 2472 L CA 1.624 56.284 54.840 -0.301 0.000 0.749 2472 L CB -0.738 41.021 42.059 -0.499 0.000 0.893 2472 L HN 0.009 nan 8.230 nan 0.000 0.432 2473 F N -0.347 119.591 119.950 -0.019 0.000 2.269 2473 F HA -0.185 4.343 4.527 0.001 0.000 0.301 2473 F C 2.615 178.421 175.800 0.010 0.000 1.082 2473 F CA 1.169 59.185 58.000 0.026 0.000 1.360 2473 F CB -0.543 38.573 39.000 0.194 0.000 1.041 2473 F HN -0.006 nan 8.300 nan 0.000 0.512 2474 S N -0.156 115.587 115.700 0.072 0.000 2.341 2474 S HA -0.087 4.383 4.470 0.001 0.000 0.216 2474 S C 2.295 176.753 174.600 -0.236 0.000 1.034 2474 S CA 0.959 59.130 58.200 -0.049 0.000 0.964 2474 S CB -0.552 62.592 63.200 -0.093 0.000 0.882 2474 S HN 0.100 nan 8.310 nan 0.000 0.469 2475 V N 0.995 120.634 119.914 -0.459 0.000 2.380 2475 V HA -0.170 3.950 4.120 0.001 0.000 0.251 2475 V C 1.466 177.192 176.094 -0.614 0.000 1.063 2475 V CA 1.713 63.594 62.300 -0.697 0.000 1.055 2475 V CB -0.757 30.580 31.823 -0.810 0.000 0.657 2475 V HN 0.445 nan 8.190 nan 0.000 0.455 2476 F N 0.190 119.971 119.950 -0.282 0.000 2.660 2476 F HA 0.461 4.988 4.527 0.001 0.000 0.302 2476 F C 1.693 177.416 175.800 -0.128 0.000 1.103 2476 F CA 0.482 58.342 58.000 -0.233 0.000 1.340 2476 F CB -0.102 38.714 39.000 -0.306 0.000 1.048 2476 F HN 0.244 nan 8.300 nan 0.000 0.551 2477 G N 0.915 109.744 108.800 0.048 0.000 2.305 2477 G HA2 -0.334 3.626 3.960 0.001 0.000 0.287 2477 G HA3 -0.334 3.626 3.960 0.001 0.000 0.287 2477 G C 1.324 176.375 174.900 0.252 0.000 1.036 2477 G CA 0.337 45.570 45.100 0.223 0.000 0.887 2477 G HN 0.574 nan 8.290 nan 0.000 0.505 2478 A N 0.259 123.140 122.820 0.102 0.000 1.958 2478 A HA 0.005 4.325 4.320 0.001 0.000 0.221 2478 A C 0.678 178.196 177.584 -0.109 0.000 1.178 2478 A CA 2.301 54.286 52.037 -0.087 0.000 0.642 2478 A CB -0.942 17.933 19.000 -0.208 0.000 0.816 2478 A HN 0.491 nan 8.150 nan 0.000 0.453 2479 P HA -0.129 nan 4.420 nan 0.000 0.220 2479 P C 0.442 177.561 177.300 -0.301 0.000 1.144 2479 P CA 0.961 64.031 63.100 -0.051 0.000 0.800 2479 P CB -0.153 31.380 31.700 -0.278 0.000 0.772 2480 F N -2.656 117.341 119.950 0.077 0.000 2.664 2480 F HA 0.244 4.771 4.527 0.001 0.000 0.303 2480 F C 1.651 177.504 175.800 0.087 0.000 1.092 2480 F CA 0.305 58.370 58.000 0.109 0.000 1.305 2480 F CB -0.200 38.901 39.000 0.168 0.000 1.054 2480 F HN -0.161 nan 8.300 nan 0.000 0.565 2481 L N -1.763 119.551 121.223 0.151 0.000 2.713 2481 L HA 0.222 4.562 4.340 0.001 0.000 0.223 2481 L C 1.040 177.928 176.870 0.029 0.000 1.040 2481 L CA 0.074 54.966 54.840 0.087 0.000 0.894 2481 L CB 0.151 42.237 42.059 0.046 0.000 1.361 2481 L HN -0.209 nan 8.230 nan 0.000 0.490 2482 K N 0.423 120.805 120.400 -0.031 0.000 2.488 2482 K HA 0.287 4.607 4.320 0.001 0.000 0.255 2482 K C -0.313 176.354 176.600 0.111 0.000 1.036 2482 K CA -0.590 55.691 56.287 -0.009 0.000 0.990 2482 K CB 0.597 32.977 32.500 -0.200 0.000 1.304 2482 K HN -0.156 nan 8.250 nan 0.000 0.505 2483 E N -0.531 119.769 120.200 0.166 0.000 2.207 2483 E HA 0.263 4.614 4.350 0.001 0.000 0.270 2483 E C 0.196 176.882 176.600 0.143 0.000 0.927 2483 E CA -0.348 56.130 56.400 0.131 0.000 0.799 2483 E CB 1.661 31.408 29.700 0.078 0.000 1.172 2483 E HN 0.812 nan 8.360 nan 0.000 0.404 2484 G N 1.081 109.916 108.800 0.059 0.000 2.136 2484 G HA2 -0.251 3.709 3.960 0.001 0.000 0.242 2484 G HA3 -0.251 3.709 3.960 0.001 0.000 0.242 2484 G C 0.335 175.186 174.900 -0.081 0.000 0.989 2484 G CA 0.123 45.215 45.100 -0.013 0.000 0.682 2484 G HN 0.682 nan 8.290 nan 0.000 0.522 2485 A N 0.586 123.378 122.820 -0.046 0.000 2.409 2485 A HA 0.733 5.054 4.320 0.001 0.000 0.267 2485 A C 1.081 178.604 177.584 -0.101 0.000 1.127 2485 A CA 0.864 52.830 52.037 -0.119 0.000 0.795 2485 A CB 0.316 19.307 19.000 -0.014 0.000 1.061 2485 A HN 1.978 nan 8.150 nan 0.000 0.502 2486 S N 1.632 117.267 115.700 -0.107 0.000 2.596 2486 S HA 0.115 4.586 4.470 0.001 0.000 0.260 2486 S C 0.937 175.500 174.600 -0.063 0.000 1.336 2486 S CA 0.505 58.663 58.200 -0.071 0.000 0.993 2486 S CB 0.601 63.766 63.200 -0.058 0.000 0.923 2486 S HN 0.757 nan 8.310 nan 0.000 0.567 2487 E N 0.332 120.505 120.200 -0.044 0.000 2.153 2487 E HA -0.159 4.192 4.350 0.001 0.000 0.194 2487 E C 1.877 178.455 176.600 -0.038 0.000 0.988 2487 E CA 1.696 58.074 56.400 -0.037 0.000 0.811 2487 E CB -0.287 29.401 29.700 -0.020 0.000 0.746 2487 E HN 0.800 nan 8.360 nan 0.000 0.466 2488 E N 0.219 120.402 120.200 -0.028 0.000 2.031 2488 E HA -0.259 4.092 4.350 0.001 0.000 0.193 2488 E C 1.986 178.549 176.600 -0.062 0.000 0.994 2488 E CA 1.335 57.721 56.400 -0.024 0.000 0.800 2488 E CB -0.124 29.589 29.700 0.022 0.000 0.752 2488 E HN 0.375 nan 8.360 nan 0.000 0.447 2489 E N 0.217 120.391 120.200 -0.044 0.000 2.077 2489 E HA -0.188 4.163 4.350 0.001 0.000 0.193 2489 E C 2.208 178.743 176.600 -0.108 0.000 0.989 2489 E CA 1.136 57.488 56.400 -0.079 0.000 0.800 2489 E CB -0.076 29.611 29.700 -0.022 0.000 0.746 2489 E HN 0.325 nan 8.360 nan 0.000 0.452 2490 I N 0.563 121.056 120.570 -0.128 0.000 2.286 2490 I HA -0.289 3.881 4.170 0.001 0.000 0.248 2490 I C 2.531 178.617 176.117 -0.052 0.000 1.115 2490 I CA 1.095 62.273 61.300 -0.203 0.000 1.392 2490 I CB -0.199 37.670 38.000 -0.218 0.000 1.065 2490 I HN 0.080 nan 8.210 nan 0.000 0.418 2491 R N -0.029 120.447 120.500 -0.039 0.000 2.115 2491 R HA -0.104 4.237 4.340 0.001 0.000 0.226 2491 R C 2.243 178.513 176.300 -0.049 0.000 1.100 2491 R CA 0.892 56.984 56.100 -0.014 0.000 0.980 2491 R CB -0.466 29.820 30.300 -0.024 0.000 0.875 2491 R HN 0.251 nan 8.270 nan 0.000 0.445 2492 L N 0.863 122.022 121.223 -0.106 0.000 2.017 2492 L HA -0.142 4.199 4.340 0.001 0.000 0.208 2492 L C 2.383 179.200 176.870 -0.088 0.000 1.073 2492 L CA 1.892 56.643 54.840 -0.149 0.000 0.745 2492 L CB -0.849 41.013 42.059 -0.327 0.000 0.894 2492 L HN 0.011 nan 8.230 nan 0.000 0.432 2493 S N -0.874 114.799 115.700 -0.045 0.000 2.370 2493 S HA -0.238 4.233 4.470 0.001 0.000 0.226 2493 S C 2.090 176.690 174.600 -0.000 0.000 1.033 2493 S CA 1.586 59.790 58.200 0.007 0.000 1.011 2493 S CB -0.246 63.028 63.200 0.123 0.000 0.852 2493 S HN 0.531 nan 8.310 nan 0.000 0.457 2494 K N 0.372 120.807 120.400 0.058 0.000 2.063 2494 K HA -0.129 4.191 4.320 0.001 0.000 0.208 2494 K C 2.332 178.886 176.600 -0.077 0.000 1.048 2494 K CA 1.732 58.016 56.287 -0.004 0.000 0.928 2494 K CB -0.309 32.232 32.500 0.068 0.000 0.713 2494 K HN 0.485 nan 8.250 nan 0.000 0.442 2495 M N 0.846 120.383 119.600 -0.106 0.000 2.099 2495 M HA -0.164 4.317 4.480 0.001 0.000 0.262 2495 M C 1.999 178.179 176.300 -0.201 0.000 1.067 2495 M CA 1.525 56.693 55.300 -0.219 0.000 1.124 2495 M CB 0.026 32.498 32.600 -0.214 0.000 1.353 2495 M HN -0.064 nan 8.290 nan 0.000 0.410 2496 V N 1.176 121.032 119.914 -0.097 0.000 2.332 2496 V HA -0.327 3.793 4.120 0.001 0.000 0.248 2496 V C 2.441 178.462 176.094 -0.121 0.000 1.055 2496 V CA 2.075 64.314 62.300 -0.102 0.000 1.038 2496 V CB -0.689 30.914 31.823 -0.366 0.000 0.651 2496 V HN 0.571 nan 8.190 nan 0.000 0.450 2497 M N -0.925 118.577 119.600 -0.163 0.000 2.213 2497 M HA -0.181 4.300 4.480 0.001 0.000 0.263 2497 M C 2.259 178.587 176.300 0.047 0.000 1.062 2497 M CA 1.713 56.945 55.300 -0.114 0.000 1.105 2497 M CB -0.478 32.028 32.600 -0.157 0.000 1.385 2497 M HN 0.256 nan 8.290 nan 0.000 0.417 2498 K N 0.012 120.429 120.400 0.028 0.000 2.062 2498 K HA -0.046 4.274 4.320 0.001 0.000 0.205 2498 K C 1.845 178.574 176.600 0.216 0.000 1.051 2498 K CA 1.267 57.588 56.287 0.056 0.000 0.941 2498 K CB -0.213 32.256 32.500 -0.053 0.000 0.719 2498 K HN 0.263 nan 8.250 nan 0.000 0.440 2499 F N 0.185 120.280 119.950 0.243 0.000 2.065 2499 F HA -0.296 4.231 4.527 0.001 0.000 0.298 2499 F C 2.448 178.441 175.800 0.321 0.000 1.112 2499 F CA 0.858 59.066 58.000 0.347 0.000 1.212 2499 F CB -0.201 39.186 39.000 0.645 0.000 0.975 2499 F HN 0.255 nan 8.300 nan 0.000 0.476 2500 W N 0.026 121.424 121.300 0.164 0.000 2.335 2500 W HA -0.252 4.408 4.660 0.001 0.000 0.311 2500 W C 2.633 179.149 176.519 -0.005 0.000 1.213 2500 W CA 0.924 58.271 57.345 0.003 0.000 1.274 2500 W CB -0.643 28.743 29.460 -0.123 0.000 1.148 2500 W HN 0.015 nan 8.180 nan 0.000 0.498 2501 A N 0.546 123.497 122.820 0.218 0.000 1.930 2501 A HA -0.212 4.109 4.320 0.001 0.000 0.217 2501 A C 1.721 179.353 177.584 0.081 0.000 1.175 2501 A CA 1.740 53.833 52.037 0.093 0.000 0.627 2501 A CB -0.974 18.064 19.000 0.063 0.000 0.815 2501 A HN 0.247 nan 8.150 nan 0.000 0.443 2502 N N -0.927 117.847 118.700 0.123 0.000 2.166 2502 N HA -0.133 4.608 4.740 0.001 0.000 0.186 2502 N C 1.403 176.944 175.510 0.051 0.000 1.019 2502 N CA 1.404 54.508 53.050 0.089 0.000 0.856 2502 N CB -0.581 37.985 38.487 0.132 0.000 0.993 2502 N HN 0.525 nan 8.380 nan 0.000 0.426 2503 F N 1.785 121.662 119.950 -0.122 0.000 2.171 2503 F HA -0.052 4.476 4.527 0.001 0.000 0.300 2503 F C 2.173 177.889 175.800 -0.140 0.000 1.090 2503 F CA 1.081 58.946 58.000 -0.225 0.000 1.293 2503 F CB -0.396 38.369 39.000 -0.391 0.000 1.013 2503 F HN 0.022 nan 8.300 nan 0.000 0.486 2504 A N 1.278 124.054 122.820 -0.073 0.000 1.877 2504 A HA -0.196 4.124 4.320 0.001 0.000 0.216 2504 A C 2.277 179.784 177.584 -0.129 0.000 1.186 2504 A CA 1.870 53.831 52.037 -0.127 0.000 0.620 2504 A CB -0.689 18.279 19.000 -0.055 0.000 0.822 2504 A HN 0.553 nan 8.150 nan 0.000 0.443 2505 R N -1.157 119.296 120.500 -0.079 0.000 2.200 2505 R HA 0.130 4.470 4.340 0.001 0.000 0.208 2505 R C 0.732 176.976 176.300 -0.092 0.000 1.033 2505 R CA 1.193 57.253 56.100 -0.067 0.000 1.000 2505 R CB -0.170 30.116 30.300 -0.024 0.000 0.906 2505 R HN 0.424 nan 8.270 nan 0.000 0.462 2506 N N -0.363 118.267 118.700 -0.117 0.000 2.239 2506 N HA 0.082 4.822 4.740 0.001 0.000 0.208 2506 N C 0.848 176.255 175.510 -0.171 0.000 1.200 2506 N CA 0.895 53.881 53.050 -0.108 0.000 0.895 2506 N CB 1.601 40.062 38.487 -0.044 0.000 1.085 2506 N HN 0.403 nan 8.380 nan 0.000 0.500 2507 G N 1.449 110.029 108.800 -0.367 0.000 2.159 2507 G HA2 -0.244 3.716 3.960 0.001 0.000 0.256 2507 G HA3 -0.244 3.716 3.960 0.001 0.000 0.256 2507 G C -0.130 174.694 174.900 -0.126 0.000 0.977 2507 G CA 0.203 44.994 45.100 -0.516 0.000 0.652 2507 G HN 0.442 nan 8.290 nan 0.000 0.531 2508 N N -0.300 118.361 118.700 -0.065 0.000 2.397 2508 N HA 0.418 5.159 4.740 0.001 0.000 0.291 2508 N C -1.710 173.704 175.510 -0.160 0.000 1.065 2508 N CA -1.357 51.633 53.050 -0.100 0.000 0.884 2508 N CB 2.502 41.008 38.487 0.031 0.000 1.551 2508 N HN -0.051 nan 8.380 nan 0.000 0.487 2509 P HA -0.038 nan 4.420 nan 0.000 0.225 2509 P C -0.165 177.227 177.300 0.154 0.000 1.156 2509 P CA 0.432 63.395 63.100 -0.228 0.000 0.787 2509 P CB 0.347 31.549 31.700 -0.831 0.000 0.802 2510 N N 0.892 119.649 118.700 0.094 0.000 2.374 2510 N HA 0.248 4.988 4.740 0.001 0.000 0.241 2510 N C 0.928 176.566 175.510 0.214 0.000 1.262 2510 N CA 1.200 54.405 53.050 0.259 0.000 0.880 2510 N CB 0.271 38.892 38.487 0.223 0.000 1.105 2510 N HN 0.153 nan 8.380 nan 0.000 0.438 2511 G N -0.112 108.817 108.800 0.214 0.000 2.519 2511 G HA2 0.157 4.118 3.960 0.001 0.000 0.292 2511 G HA3 0.157 4.118 3.960 0.001 0.000 0.292 2511 G C -1.436 173.529 174.900 0.108 0.000 1.507 2511 G CA -0.750 44.430 45.100 0.133 0.000 0.806 2511 G HN 0.427 nan 8.290 nan 0.000 0.523 2512 E N -0.123 120.124 120.200 0.077 0.000 2.529 2512 E HA 0.333 4.683 4.350 0.001 0.000 0.259 2512 E C 1.327 177.951 176.600 0.040 0.000 0.966 2512 E CA 1.341 57.778 56.400 0.061 0.000 0.937 2512 E CB 0.772 30.500 29.700 0.046 0.000 0.923 2512 E HN 1.683 nan 8.360 nan 0.000 0.468 2513 G N 2.777 111.602 108.800 0.040 0.000 2.241 2513 G HA2 -0.290 3.671 3.960 0.001 0.000 0.244 2513 G HA3 -0.290 3.671 3.960 0.001 0.000 0.244 2513 G C 0.162 175.060 174.900 -0.003 0.000 0.998 2513 G CA -0.107 45.002 45.100 0.016 0.000 0.621 2513 G HN 0.394 nan 8.290 nan 0.000 0.519 2514 L N 2.632 123.857 121.223 0.003 0.000 2.325 2514 L HA 0.521 4.862 4.340 0.001 0.000 0.279 2514 L C -1.364 175.587 176.870 0.136 0.000 1.054 2514 L CA -2.268 52.543 54.840 -0.049 0.000 0.804 2514 L CB 1.035 42.966 42.059 -0.212 0.000 1.200 2514 L HN -0.035 nan 8.230 nan 0.000 0.436 2515 P HA -0.062 nan 4.420 nan 0.000 0.268 2515 P C -0.833 176.703 177.300 0.393 0.000 1.208 2515 P CA -0.118 63.136 63.100 0.257 0.000 0.777 2515 P CB 0.377 32.204 31.700 0.210 0.000 0.875 2516 H N 1.800 121.008 119.070 0.231 0.000 2.848 2516 H HA 0.126 4.683 4.556 0.001 0.000 0.317 2516 H C -0.903 174.592 175.328 0.279 0.000 1.046 2516 H CA 0.227 56.426 56.048 0.252 0.000 1.470 2516 H CB 0.085 29.951 29.762 0.172 0.000 1.483 2516 H HN 0.370 nan 8.280 nan 0.000 0.548 2517 W N 9.931 130.927 121.300 -0.506 0.000 2.278 2517 W HA 0.304 4.965 4.660 0.001 0.000 0.317 2517 W C -2.761 173.497 176.519 -0.434 0.000 1.030 2517 W CA -3.178 53.937 57.345 -0.383 0.000 1.334 2517 W CB 0.929 30.148 29.460 -0.402 0.000 1.215 2517 W HN 0.574 nan 8.180 nan 0.000 0.405 2518 P HA 0.052 nan 4.420 nan 0.000 0.275 2518 P C -0.445 177.060 177.300 0.341 0.000 1.228 2518 P CA 0.076 63.316 63.100 0.233 0.000 0.786 2518 P CB 1.435 33.278 31.700 0.238 0.000 0.927 2519 E N 1.828 122.118 120.200 0.150 0.000 2.354 2519 E HA -0.007 4.343 4.350 0.001 0.000 0.269 2519 E C -0.937 175.628 176.600 -0.058 0.000 1.036 2519 E CA -0.565 55.695 56.400 -0.233 0.000 0.876 2519 E CB 0.212 29.759 29.700 -0.254 0.000 1.009 2519 E HN 0.360 nan 8.360 nan 0.000 0.416 2520 Y N 6.216 126.380 120.300 -0.228 0.000 2.573 2520 Y HA 0.056 4.607 4.550 0.001 0.000 0.346 2520 Y C -0.380 175.485 175.900 -0.057 0.000 1.198 2520 Y CA -0.243 57.826 58.100 -0.050 0.000 1.627 2520 Y CB -0.609 37.837 38.460 -0.023 0.000 1.457 2520 Y HN 0.530 nan 8.280 nan 0.000 0.483 2521 N N 0.695 119.284 118.700 -0.184 0.000 2.909 2521 N HA 0.105 4.845 4.740 0.001 0.000 0.326 2521 N C 0.756 176.126 175.510 -0.235 0.000 1.368 2521 N CA -0.353 52.607 53.050 -0.150 0.000 0.797 2521 N CB 0.115 38.555 38.487 -0.079 0.000 1.150 2521 N HN 0.240 nan 8.380 nan 0.000 0.550 2522 Q N -0.030 119.689 119.800 -0.134 0.000 2.181 2522 Q HA -0.038 4.302 4.340 0.001 0.000 0.205 2522 Q C 1.125 177.043 176.000 -0.135 0.000 0.980 2522 Q CA 1.384 57.115 55.803 -0.120 0.000 0.862 2522 Q CB -0.432 28.270 28.738 -0.060 0.000 0.905 2522 Q HN 0.620 nan 8.270 nan 0.000 0.429 2523 K N 0.774 121.103 120.400 -0.119 0.000 2.439 2523 K HA -0.055 4.265 4.320 0.001 0.000 0.197 2523 K C -0.063 176.462 176.600 -0.126 0.000 1.041 2523 K CA 0.045 56.283 56.287 -0.082 0.000 0.970 2523 K CB 0.143 32.623 32.500 -0.033 0.000 0.773 2523 K HN 0.241 nan 8.250 nan 0.000 0.479 2524 E N 0.051 120.058 120.200 -0.322 0.000 2.297 2524 E HA -0.160 4.191 4.350 0.001 0.000 0.228 2524 E C -0.022 176.545 176.600 -0.055 0.000 1.213 2524 E CA 0.160 56.222 56.400 -0.563 0.000 0.712 2524 E CB -1.624 27.873 29.700 -0.338 0.000 1.202 2524 E HN 0.497 nan 8.360 nan 0.000 0.376 2525 G N 0.677 109.499 108.800 0.038 0.000 2.444 2525 G HA2 0.462 4.423 3.960 0.001 0.000 0.268 2525 G HA3 0.462 4.423 3.960 0.001 0.000 0.268 2525 G C -0.364 174.804 174.900 0.445 0.000 1.203 2525 G CA -0.174 45.048 45.100 0.203 0.000 0.835 2525 G HN 0.296 nan 8.290 nan 0.000 0.543 2526 Y N -0.290 120.151 120.300 0.235 0.000 2.644 2526 Y HA 0.736 5.287 4.550 0.001 0.000 0.338 2526 Y C -1.405 174.509 175.900 0.024 0.000 1.119 2526 Y CA -1.854 56.391 58.100 0.242 0.000 1.060 2526 Y CB 1.729 40.321 38.460 0.220 0.000 1.294 2526 Y HN 0.520 nan 8.280 nan 0.000 0.472 2527 L N 2.552 123.703 121.223 -0.120 0.000 2.287 2527 L HA 0.447 4.787 4.340 0.001 0.000 0.287 2527 L C -0.847 175.922 176.870 -0.168 0.000 1.022 2527 L CA -0.446 54.089 54.840 -0.509 0.000 0.814 2527 L CB 1.627 42.800 42.059 -1.476 0.000 1.217 2527 L HN 0.738 nan 8.230 nan 0.000 0.420 2528 Q N 6.060 125.768 119.800 -0.153 0.000 2.314 2528 Q HA 0.436 4.776 4.340 0.001 0.000 0.257 2528 Q C -0.943 175.030 176.000 -0.046 0.000 0.975 2528 Q CA -0.068 55.745 55.803 0.017 0.000 0.933 2528 Q CB 1.513 30.253 28.738 0.003 0.000 1.195 2528 Q HN 0.588 nan 8.270 nan 0.000 0.426 2529 I N 1.844 122.411 120.570 -0.005 0.000 2.377 2529 I HA 0.671 4.842 4.170 0.001 0.000 0.293 2529 I C 0.635 176.598 176.117 -0.256 0.000 0.987 2529 I CA -0.280 60.977 61.300 -0.072 0.000 1.185 2529 I CB 1.611 39.652 38.000 0.069 0.000 1.341 2529 I HN 0.805 nan 8.210 nan 0.000 0.455 2530 G N 3.216 111.876 108.800 -0.233 0.000 2.452 2530 G HA2 0.300 4.261 3.960 0.001 0.000 0.224 2530 G HA3 0.300 4.261 3.960 0.001 0.000 0.224 2530 G C 0.343 175.181 174.900 -0.103 0.000 1.208 2530 G CA 0.073 45.033 45.100 -0.234 0.000 0.946 2530 G HN 0.577 nan 8.290 nan 0.000 0.481 2531 A N -0.159 122.702 122.820 0.067 0.000 1.892 2531 A HA 0.036 4.356 4.320 0.001 0.000 0.218 2531 A C 1.241 178.825 177.584 -0.001 0.000 1.188 2531 A CA 2.610 54.689 52.037 0.070 0.000 0.631 2531 A CB -0.547 18.512 19.000 0.099 0.000 0.822 2531 A HN 1.302 nan 8.150 nan 0.000 0.447 2532 N N -0.309 118.387 118.700 -0.006 0.000 2.518 2532 N HA 0.294 5.035 4.740 0.001 0.000 0.254 2532 N C -1.448 174.049 175.510 -0.022 0.000 0.979 2532 N CA -0.095 52.948 53.050 -0.011 0.000 0.930 2532 N CB 0.855 39.340 38.487 -0.003 0.000 1.152 2532 N HN 0.016 nan 8.380 nan 0.000 0.505 2533 T N 4.130 118.673 114.554 -0.019 0.000 2.728 2533 T HA 0.312 4.663 4.350 0.001 0.000 0.296 2533 T C -0.457 174.237 174.700 -0.011 0.000 0.940 2533 T CA -0.299 61.790 62.100 -0.018 0.000 1.013 2533 T CB 0.313 69.196 68.868 0.025 0.000 0.912 2533 T HN 0.628 nan 8.240 nan 0.000 0.484 2534 Q N 2.016 121.786 119.800 -0.050 0.000 2.511 2534 Q HA 0.756 5.096 4.340 0.001 0.000 0.289 2534 Q C -1.453 174.471 176.000 -0.127 0.000 1.021 2534 Q CA -1.278 54.495 55.803 -0.050 0.000 0.785 2534 Q CB 1.712 30.431 28.738 -0.032 0.000 1.472 2534 Q HN 0.548 nan 8.270 nan 0.000 0.411 2535 A N 0.542 123.298 122.820 -0.106 0.000 2.287 2535 A HA 0.874 5.195 4.320 0.001 0.000 0.273 2535 A C -0.436 176.992 177.584 -0.260 0.000 1.091 2535 A CA 0.404 52.332 52.037 -0.181 0.000 0.817 2535 A CB 0.674 19.648 19.000 -0.043 0.000 1.069 2535 A HN 1.097 nan 8.150 nan 0.000 0.492 2536 A N 0.006 122.546 122.820 -0.466 0.000 2.515 2536 A HA 0.747 5.068 4.320 0.001 0.000 0.299 2536 A C -1.022 176.330 177.584 -0.386 0.000 1.179 2536 A CA -0.566 51.179 52.037 -0.486 0.000 0.656 2536 A CB 0.912 19.485 19.000 -0.712 0.000 1.306 2536 A HN 0.837 nan 8.150 nan 0.000 0.459 2537 Q N -0.103 119.666 119.800 -0.051 0.000 2.456 2537 Q HA 0.546 4.886 4.340 0.001 0.000 0.284 2537 Q C -1.463 174.765 176.000 0.379 0.000 1.061 2537 Q CA -1.043 54.883 55.803 0.204 0.000 0.799 2537 Q CB 2.109 30.901 28.738 0.090 0.000 1.445 2537 Q HN 0.630 nan 8.270 nan 0.000 0.411 2538 K N 1.123 121.712 120.400 0.315 0.000 3.974 2538 K HA -0.211 4.109 4.320 0.001 0.000 0.280 2538 K C -0.760 175.961 176.600 0.202 0.000 0.949 2538 K CA 0.022 56.441 56.287 0.220 0.000 0.817 2538 K CB -1.237 31.344 32.500 0.135 0.000 1.535 2538 K HN 0.434 nan 8.250 nan 0.000 0.444 2539 L N 2.202 123.487 121.223 0.103 0.000 2.462 2539 L HA 0.043 4.383 4.340 0.001 0.000 0.272 2539 L C 0.729 177.566 176.870 -0.055 0.000 1.166 2539 L CA 0.673 55.376 54.840 -0.229 0.000 0.880 2539 L CB 0.372 41.964 42.059 -0.777 0.000 1.142 2539 L HN 0.360 nan 8.230 nan 0.000 0.473 2540 K N 2.561 122.954 120.400 -0.012 0.000 3.274 2540 K HA -0.286 4.035 4.320 0.001 0.000 0.300 2540 K C 1.053 177.715 176.600 0.103 0.000 1.230 2540 K CA 1.216 57.538 56.287 0.059 0.000 0.884 2540 K CB -1.590 30.940 32.500 0.050 0.000 1.242 2540 K HN 0.924 nan 8.250 nan 0.000 0.467 2541 D N 1.270 121.729 120.400 0.097 0.000 2.126 2541 D HA -0.192 4.448 4.640 0.001 0.000 0.190 2541 D C 1.604 177.972 176.300 0.113 0.000 1.001 2541 D CA 1.478 55.542 54.000 0.107 0.000 0.841 2541 D CB 0.369 41.226 40.800 0.095 0.000 0.949 2541 D HN 0.245 nan 8.370 nan 0.000 0.446 2542 K N 0.661 121.118 120.400 0.095 0.000 1.991 2542 K HA -0.176 4.145 4.320 0.001 0.000 0.212 2542 K C 2.182 178.870 176.600 0.146 0.000 1.049 2542 K CA 1.125 57.463 56.287 0.084 0.000 0.932 2542 K CB -0.764 31.754 32.500 0.030 0.000 0.717 2542 K HN 0.170 nan 8.250 nan 0.000 0.441 2543 E N 0.765 121.076 120.200 0.186 0.000 2.086 2543 E HA -0.168 4.183 4.350 0.001 0.000 0.200 2543 E C 2.151 179.045 176.600 0.490 0.000 1.012 2543 E CA 1.239 57.862 56.400 0.371 0.000 0.812 2543 E CB -0.619 29.314 29.700 0.389 0.000 0.743 2543 E HN 0.023 nan 8.360 nan 0.000 0.453 2544 V N 0.846 120.954 119.914 0.323 0.000 2.255 2544 V HA -0.323 3.798 4.120 0.001 0.000 0.247 2544 V C 2.213 178.461 176.094 0.256 0.000 1.051 2544 V CA 1.930 64.404 62.300 0.290 0.000 1.018 2544 V CB -1.012 30.923 31.823 0.186 0.000 0.641 2544 V HN 0.404 nan 8.190 nan 0.000 0.445 2545 A N -0.218 122.715 122.820 0.188 0.000 1.859 2545 A HA -0.314 4.007 4.320 0.001 0.000 0.217 2545 A C 2.136 179.782 177.584 0.104 0.000 1.198 2545 A CA 2.451 54.565 52.037 0.129 0.000 0.629 2545 A CB -0.918 18.145 19.000 0.104 0.000 0.830 2545 A HN 0.542 nan 8.150 nan 0.000 0.446 2546 F N -0.833 119.094 119.950 -0.039 0.000 2.065 2546 F HA -0.233 4.294 4.527 0.001 0.000 0.298 2546 F C 2.028 177.670 175.800 -0.263 0.000 1.112 2546 F CA 2.074 59.950 58.000 -0.207 0.000 1.212 2546 F CB -0.581 38.198 39.000 -0.367 0.000 0.975 2546 F HN 0.407 nan 8.300 nan 0.000 0.476 2547 W N 0.318 121.595 121.300 -0.039 0.000 2.381 2547 W HA -0.117 4.543 4.660 0.001 0.000 0.301 2547 W C 2.661 179.101 176.519 -0.131 0.000 1.205 2547 W CA 1.704 58.919 57.345 -0.217 0.000 1.285 2547 W CB -1.219 28.246 29.460 0.009 0.000 1.133 2547 W HN -0.155 nan 8.180 nan 0.000 0.521 2548 T N 0.402 115.089 114.554 0.221 0.000 2.665 2548 T HA -0.339 4.011 4.350 0.001 0.000 0.268 2548 T C 1.444 176.187 174.700 0.071 0.000 1.035 2548 T CA 1.996 64.205 62.100 0.181 0.000 1.151 2548 T CB -0.729 68.217 68.868 0.131 0.000 0.862 2548 T HN 0.188 nan 8.240 nan 0.000 0.438 2549 N N 0.811 119.479 118.700 -0.054 0.000 2.084 2549 N HA -0.092 4.649 4.740 0.001 0.000 0.190 2549 N C 1.755 177.149 175.510 -0.194 0.000 1.030 2549 N CA 1.107 54.084 53.050 -0.123 0.000 0.849 2549 N CB -0.558 37.825 38.487 -0.174 0.000 1.012 2549 N HN 0.232 nan 8.380 nan 0.000 0.423 2550 L N -0.023 120.947 121.223 -0.422 0.000 1.955 2550 L HA -0.001 4.340 4.340 0.001 0.000 0.213 2550 L C 1.900 178.688 176.870 -0.136 0.000 1.072 2550 L CA 1.743 56.314 54.840 -0.449 0.000 0.755 2550 L CB -1.295 40.241 42.059 -0.871 0.000 0.888 2550 L HN 0.293 nan 8.230 nan 0.000 0.432 2551 F N -0.184 119.772 119.950 0.010 0.000 2.287 2551 F HA -0.273 4.254 4.527 0.001 0.000 0.301 2551 F C 2.355 178.171 175.800 0.026 0.000 1.069 2551 F CA 0.523 58.560 58.000 0.062 0.000 1.372 2551 F CB -0.477 38.579 39.000 0.093 0.000 1.056 2551 F HN 0.314 nan 8.300 nan 0.000 0.523 2552 A N -0.154 122.767 122.820 0.169 0.000 2.121 2552 A HA -0.086 4.235 4.320 0.001 0.000 0.218 2552 A C 1.166 178.792 177.584 0.070 0.000 1.154 2552 A CA 0.771 52.865 52.037 0.095 0.000 0.679 2552 A CB -0.345 18.683 19.000 0.046 0.000 0.795 2552 A HN 0.255 nan 8.150 nan 0.000 0.458 2553 K N 0.000 120.440 120.400 0.067 0.000 2.780 2553 K HA 0.000 4.320 4.320 0.001 0.000 0.191 2553 K CA 0.000 56.317 56.287 0.051 0.000 0.838 2553 K CB 0.000 32.508 32.500 0.014 0.000 1.064 2553 K HN 0.000 nan 8.250 nan 0.000 0.543