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 1pj3_1_C DATA FIRST_RESID 2021 DATA SEQUENCE IKEKGKPLXL NPRTNKGXAF TLQERQXLGL QGLLPPKIET QDIQALRFHR DATA SEQUENCE NLKKXTSPLE KYIYIXGIQE RNEKLFYRIL QDDIESLXPI VYTPTVGLAC DATA SEQUENCE SQYGHIFRRP KGLFISISDR GHVRSIVDNW PENHVKAVVV TDGERILGLG DATA SEQUENCE DLGVYGXGIP VGKLCLYTAC AGIRPDRCLP VCIDVGTDNI ALLKDPFYXG DATA SEQUENCE LYQKRDRTQQ YDDLIDEFXK AITDRYGRNT LIQFEDFGNH NAFRFLRKYR DATA SEQUENCE EKYCTFNDDI QGTAAVALAG LLAAQKVISK PISEHKILFL GAGEAALGIA DATA SEQUENCE NLIVXSXVEN GLSEQEAQKK IWXFDKYGLL VKGRKAKIDS YQEPFTHSAP DATA SEQUENCE ESIPDTFEDA VNILKPSTII GVAGAGRLFT PDVIRAXASI NERPVIFALS DATA SEQUENCE NPTAQAECTA EEAYTLTEGR CLFASGSPFG PVKLTDGRVF TPGQGNNVYI DATA SEQUENCE FPGVALAVIL CNTRHISDSV FLEAAKALTS QLTDEELAQG RLYPPLANIQ DATA SEQUENCE EVSINIAIKV TEYLYANKXA FRYPEPEDKA KYVKERTWRS EYDSLLPDVY DATA SEQUENCE EWP 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 2021 I HA 0.000 nan 4.170 nan 0.000 0.288 2021 I C 0.000 176.136 176.117 0.032 0.000 1.063 2021 I CA 0.000 61.327 61.300 0.045 0.000 1.566 2021 I CB 0.000 38.032 38.000 0.053 0.000 1.214 2022 K N 2.564 122.978 120.400 0.023 0.000 2.353 2022 K HA 0.288 4.608 4.320 -0.001 0.000 0.195 2022 K C -0.023 176.580 176.600 0.005 0.000 1.031 2022 K CA 0.150 56.445 56.287 0.013 0.000 1.079 2022 K CB 0.178 32.685 32.500 0.012 0.000 0.857 2022 K HN 0.545 nan 8.250 nan 0.000 0.535 2023 E N 2.106 122.309 120.200 0.006 0.000 2.277 2023 E HA 0.172 4.521 4.350 -0.001 0.000 0.274 2023 E C -0.628 175.966 176.600 -0.011 0.000 1.022 2023 E CA -0.265 56.133 56.400 -0.004 0.000 0.853 2023 E CB 0.835 30.535 29.700 -0.001 0.000 1.086 2023 E HN 0.065 nan 8.360 nan 0.000 0.397 2024 K N 1.631 122.015 120.400 -0.028 0.000 2.466 2024 K HA 0.835 5.155 4.320 -0.001 0.000 0.260 2024 K C 0.062 176.622 176.600 -0.065 0.000 1.011 2024 K CA -0.529 55.728 56.287 -0.050 0.000 0.871 2024 K CB 1.367 33.837 32.500 -0.049 0.000 1.404 2024 K HN 0.673 nan 8.250 nan 0.000 0.450 2025 G N 1.297 110.038 108.800 -0.099 0.000 2.698 2025 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.233 2025 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.233 2025 G C 0.400 175.240 174.900 -0.100 0.000 1.352 2025 G CA 0.457 45.497 45.100 -0.100 0.000 0.879 2025 G HN 0.870 nan 8.290 nan 0.000 0.567 2026 K N 0.883 121.235 120.400 -0.079 0.000 2.127 2026 K HA -0.122 4.197 4.320 -0.001 0.000 0.212 2026 K C 0.210 176.785 176.600 -0.041 0.000 1.050 2026 K CA 2.955 59.205 56.287 -0.061 0.000 0.929 2026 K CB -1.277 31.197 32.500 -0.044 0.000 0.715 2026 K HN 0.345 nan 8.250 nan 0.000 0.457 2027 P HA -0.139 nan 4.420 nan 0.000 0.217 2027 P C 0.229 177.528 177.300 -0.003 0.000 1.148 2027 P CA 0.881 63.969 63.100 -0.020 0.000 0.828 2027 P CB 0.044 31.731 31.700 -0.022 0.000 0.783 2031 N N 2.973 121.679 118.700 0.010 0.000 2.439 2031 N HA 0.235 4.974 4.740 -0.001 0.000 0.249 2031 N C -1.731 173.786 175.510 0.012 0.000 1.003 2031 N CA -1.807 51.241 53.050 -0.004 0.000 0.942 2031 N CB 1.862 40.348 38.487 -0.002 0.000 1.115 2031 N HN -0.055 nan 8.380 nan 0.000 0.505 2032 P HA -0.151 nan 4.420 nan 0.000 0.221 2032 P C 1.097 178.416 177.300 0.032 0.000 1.145 2032 P CA 0.801 63.899 63.100 -0.005 0.000 0.795 2032 P CB 0.608 32.276 31.700 -0.055 0.000 0.775 2033 R N 0.675 121.192 120.500 0.028 0.000 2.096 2033 R HA -0.086 4.253 4.340 -0.001 0.000 0.235 2033 R C 2.187 178.548 176.300 0.102 0.000 1.127 2033 R CA 2.410 58.549 56.100 0.065 0.000 0.968 2033 R CB -1.168 29.150 30.300 0.030 0.000 0.861 2033 R HN 0.309 nan 8.270 nan 0.000 0.440 2034 T N -3.547 111.058 114.554 0.085 0.000 2.990 2034 T HA 0.137 4.486 4.350 -0.001 0.000 0.249 2034 T C 0.565 175.310 174.700 0.075 0.000 1.039 2034 T CA -0.274 61.887 62.100 0.102 0.000 1.036 2034 T CB -0.289 68.656 68.868 0.128 0.000 0.994 2034 T HN 0.056 nan 8.240 nan 0.000 0.489 2035 N N 2.058 120.806 118.700 0.079 0.000 2.411 2035 N HA 0.089 4.828 4.740 -0.001 0.000 0.261 2035 N C 0.483 175.866 175.510 -0.212 0.000 1.248 2035 N CA 0.299 53.378 53.050 0.049 0.000 0.885 2035 N CB 0.614 39.152 38.487 0.085 0.000 1.062 2035 N HN 0.354 nan 8.380 nan 0.000 0.471 2036 K N 2.198 122.174 120.400 -0.707 0.000 2.374 2036 K HA 0.234 4.553 4.320 -0.001 0.000 0.202 2036 K C 0.772 177.072 176.600 -0.500 0.000 1.040 2036 K CA 0.100 55.821 56.287 -0.943 0.000 1.085 2036 K CB 0.300 31.752 32.500 -1.747 0.000 0.873 2036 K HN 0.792 nan 8.250 nan 0.000 0.539 2040 F N 3.216 123.058 119.950 -0.180 0.000 2.543 2040 F HA 0.312 4.838 4.527 -0.001 0.000 0.375 2040 F C 1.742 177.491 175.800 -0.086 0.000 1.075 2040 F CA 1.328 59.242 58.000 -0.143 0.000 1.225 2040 F CB 0.910 39.846 39.000 -0.107 0.000 1.099 2040 F HN 0.304 nan 8.300 nan 0.000 0.561 2041 T N 1.859 116.485 114.554 0.121 0.000 2.802 2041 T HA 0.032 4.382 4.350 -0.001 0.000 0.305 2041 T C 1.107 175.844 174.700 0.063 0.000 1.053 2041 T CA -0.901 61.239 62.100 0.068 0.000 1.058 2041 T CB 0.902 69.798 68.868 0.046 0.000 0.988 2041 T HN 0.588 nan 8.240 nan 0.000 0.539 2042 L N 0.718 121.962 121.223 0.036 0.000 2.043 2042 L HA -0.093 4.246 4.340 -0.001 0.000 0.212 2042 L C 2.871 179.746 176.870 0.009 0.000 1.075 2042 L CA 1.998 56.849 54.840 0.019 0.000 0.752 2042 L CB -1.085 40.981 42.059 0.012 0.000 0.891 2042 L HN 0.945 nan 8.230 nan 0.000 0.432 2043 Q N -0.898 118.910 119.800 0.014 0.000 2.119 2043 Q HA -0.206 4.134 4.340 -0.001 0.000 0.201 2043 Q C 2.071 178.072 176.000 0.003 0.000 0.972 2043 Q CA 1.696 57.503 55.803 0.006 0.000 0.847 2043 Q CB -0.008 28.737 28.738 0.011 0.000 0.903 2043 Q HN 0.653 nan 8.270 nan 0.000 0.433 2044 E N -0.120 120.096 120.200 0.026 0.000 2.077 2044 E HA -0.189 4.160 4.350 -0.001 0.000 0.193 2044 E C 2.087 178.657 176.600 -0.050 0.000 0.989 2044 E CA 0.902 57.321 56.400 0.031 0.000 0.800 2044 E CB 0.031 29.816 29.700 0.142 0.000 0.746 2044 E HN 0.297 nan 8.360 nan 0.000 0.452 2045 R N 0.990 121.454 120.500 -0.061 0.000 2.081 2045 R HA -0.082 4.257 4.340 -0.001 0.000 0.235 2045 R C 1.337 177.574 176.300 -0.105 0.000 1.131 2045 R CA 0.871 56.889 56.100 -0.135 0.000 0.960 2045 R CB -0.228 30.019 30.300 -0.089 0.000 0.856 2045 R HN 0.247 nan 8.270 nan 0.000 0.436 2049 G N 1.283 110.015 108.800 -0.112 0.000 2.221 2049 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.265 2049 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.265 2049 G C 0.436 175.255 174.900 -0.134 0.000 1.041 2049 G CA 0.729 45.767 45.100 -0.105 0.000 0.807 2049 G HN 0.357 nan 8.290 nan 0.000 0.502 2050 L N -1.109 120.007 121.223 -0.177 0.000 2.664 2050 L HA 0.274 4.613 4.340 -0.001 0.000 0.233 2050 L C 1.417 178.202 176.870 -0.142 0.000 1.113 2050 L CA -0.187 54.525 54.840 -0.212 0.000 0.896 2050 L CB 0.204 42.024 42.059 -0.399 0.000 1.163 2050 L HN 0.298 nan 8.230 nan 0.000 0.497 2051 Q N 1.179 120.916 119.800 -0.106 0.000 2.263 2051 Q HA 0.247 4.586 4.340 -0.001 0.000 0.289 2051 Q C 1.130 177.097 176.000 -0.056 0.000 1.061 2051 Q CA 1.420 57.181 55.803 -0.069 0.000 0.927 2051 Q CB 0.558 29.263 28.738 -0.054 0.000 1.154 2051 Q HN 0.371 nan 8.270 nan 0.000 0.378 2052 G N 3.127 111.902 108.800 -0.042 0.000 2.258 2052 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.233 2052 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.233 2052 G C 0.506 175.387 174.900 -0.032 0.000 1.006 2052 G CA 0.288 45.369 45.100 -0.032 0.000 0.620 2052 G HN 0.578 nan 8.290 nan 0.000 0.511 2053 L N 0.202 121.397 121.223 -0.046 0.000 2.558 2053 L HA 0.470 4.809 4.340 -0.001 0.000 0.225 2053 L C 0.966 177.821 176.870 -0.025 0.000 1.128 2053 L CA 0.388 55.203 54.840 -0.042 0.000 0.868 2053 L CB 0.004 42.024 42.059 -0.065 0.000 1.006 2053 L HN 0.199 nan 8.230 nan 0.000 0.454 2054 L N -1.119 120.092 121.223 -0.020 0.000 2.333 2054 L HA 0.501 4.841 4.340 -0.001 0.000 0.263 2054 L C -2.260 174.616 176.870 0.009 0.000 1.014 2054 L CA -1.957 52.887 54.840 0.008 0.000 0.820 2054 L CB 1.566 43.641 42.059 0.027 0.000 1.352 2054 L HN -0.260 nan 8.230 nan 0.000 0.421 2055 P HA 0.117 nan 4.420 nan 0.000 0.270 2055 P C -2.148 175.161 177.300 0.016 0.000 1.223 2055 P CA -0.847 62.262 63.100 0.016 0.000 0.785 2055 P CB 0.074 31.787 31.700 0.021 0.000 0.923 2056 P HA -0.112 nan 4.420 nan 0.000 0.223 2056 P C 0.083 177.393 177.300 0.016 0.000 1.144 2056 P CA 1.111 64.218 63.100 0.010 0.000 0.783 2056 P CB 0.079 31.783 31.700 0.007 0.000 0.771 2057 K N 0.844 121.256 120.400 0.020 0.000 2.412 2057 K HA 0.149 4.468 4.320 -0.001 0.000 0.281 2057 K C -0.525 176.094 176.600 0.030 0.000 1.027 2057 K CA 0.127 56.428 56.287 0.024 0.000 0.989 2057 K CB -0.298 32.218 32.500 0.026 0.000 0.935 2057 K HN -0.199 nan 8.250 nan 0.000 0.475 2058 I N 4.435 125.023 120.570 0.029 0.000 2.330 2058 I HA 0.241 4.411 4.170 -0.001 0.000 0.289 2058 I C 0.033 176.170 176.117 0.033 0.000 1.001 2058 I CA -0.042 61.277 61.300 0.032 0.000 1.193 2058 I CB 1.345 39.362 38.000 0.029 0.000 1.345 2058 I HN 0.697 nan 8.210 nan 0.000 0.461 2059 E N 3.276 123.497 120.200 0.035 0.000 2.259 2059 E HA 0.683 5.032 4.350 -0.001 0.000 0.257 2059 E C -0.347 176.287 176.600 0.056 0.000 0.998 2059 E CA -0.834 55.593 56.400 0.044 0.000 0.866 2059 E CB 1.605 31.336 29.700 0.052 0.000 1.220 2059 E HN 0.586 nan 8.360 nan 0.000 0.415 2060 T N -2.551 112.046 114.554 0.071 0.000 2.950 2060 T HA 0.136 4.485 4.350 -0.001 0.000 0.288 2060 T C 0.836 175.612 174.700 0.127 0.000 1.035 2060 T CA -0.744 61.412 62.100 0.094 0.000 1.028 2060 T CB 1.733 70.638 68.868 0.061 0.000 1.109 2060 T HN 0.493 nan 8.240 nan 0.000 0.514 2061 Q N -0.226 119.659 119.800 0.143 0.000 2.224 2061 Q HA -0.154 4.185 4.340 -0.001 0.000 0.203 2061 Q C 1.143 177.157 176.000 0.024 0.000 0.970 2061 Q CA 1.555 57.399 55.803 0.069 0.000 0.865 2061 Q CB -0.117 28.511 28.738 -0.183 0.000 0.922 2061 Q HN 0.687 nan 8.270 nan 0.000 0.445 2062 D N 0.375 120.791 120.400 0.028 0.000 2.144 2062 D HA -0.158 4.482 4.640 -0.001 0.000 0.199 2062 D C 1.784 178.121 176.300 0.062 0.000 0.984 2062 D CA 0.820 54.842 54.000 0.036 0.000 0.834 2062 D CB -0.002 40.815 40.800 0.029 0.000 0.955 2062 D HN 0.300 nan 8.370 nan 0.000 0.465 2063 I N 0.978 121.586 120.570 0.064 0.000 2.252 2063 I HA -0.195 3.974 4.170 -0.001 0.000 0.245 2063 I C 2.303 178.469 176.117 0.082 0.000 1.102 2063 I CA 1.054 62.396 61.300 0.069 0.000 1.385 2063 I CB -0.978 37.059 38.000 0.061 0.000 1.064 2063 I HN 0.076 nan 8.210 nan 0.000 0.414 2064 Q N 0.569 120.419 119.800 0.084 0.000 2.084 2064 Q HA -0.123 4.217 4.340 -0.001 0.000 0.202 2064 Q C 2.437 178.489 176.000 0.088 0.000 0.978 2064 Q CA 1.821 57.677 55.803 0.088 0.000 0.844 2064 Q CB -0.204 28.591 28.738 0.094 0.000 0.898 2064 Q HN 0.538 nan 8.270 nan 0.000 0.426 2065 A N 0.673 123.535 122.820 0.071 0.000 1.933 2065 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 2065 A C 2.018 179.716 177.584 0.189 0.000 1.175 2065 A CA 1.060 53.144 52.037 0.078 0.000 0.628 2065 A CB -0.560 18.500 19.000 0.100 0.000 0.814 2065 A HN 0.340 nan 8.150 nan 0.000 0.444 2066 L N -0.013 121.325 121.223 0.193 0.000 2.046 2066 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 2066 L C 2.486 179.450 176.870 0.157 0.000 1.077 2066 L CA 2.372 57.334 54.840 0.203 0.000 0.747 2066 L CB -0.595 41.540 42.059 0.126 0.000 0.896 2066 L HN 0.507 nan 8.230 nan 0.000 0.432 2067 R N -1.334 119.244 120.500 0.129 0.000 2.083 2067 R HA -0.268 4.071 4.340 -0.001 0.000 0.237 2067 R C 2.387 178.767 176.300 0.132 0.000 1.137 2067 R CA 2.153 58.322 56.100 0.114 0.000 0.951 2067 R CB -0.714 29.656 30.300 0.116 0.000 0.851 2067 R HN 0.409 nan 8.270 nan 0.000 0.434 2068 F N 1.078 121.032 119.950 0.008 0.000 2.046 2068 F HA -0.235 4.291 4.527 -0.001 0.000 0.297 2068 F C 1.896 177.692 175.800 -0.006 0.000 1.123 2068 F CA 2.349 60.339 58.000 -0.017 0.000 1.199 2068 F CB -0.615 38.230 39.000 -0.258 0.000 0.972 2068 F HN 0.174 nan 8.300 nan 0.000 0.474 2069 H N -0.973 118.058 119.070 -0.065 0.000 2.421 2069 H HA -0.105 4.450 4.556 -0.001 0.000 0.298 2069 H C 2.260 177.494 175.328 -0.157 0.000 1.087 2069 H CA 1.433 57.374 56.048 -0.178 0.000 1.330 2069 H CB -0.180 29.604 29.762 0.036 0.000 1.388 2069 H HN 0.087 nan 8.280 nan 0.000 0.526 2070 R N 0.696 121.212 120.500 0.027 0.000 2.080 2070 R HA -0.100 4.239 4.340 -0.001 0.000 0.236 2070 R C 1.922 178.183 176.300 -0.066 0.000 1.137 2070 R CA 1.468 57.568 56.100 -0.000 0.000 0.943 2070 R CB -0.190 30.122 30.300 0.019 0.000 0.846 2070 R HN 0.349 nan 8.270 nan 0.000 0.431 2071 N N -0.012 118.624 118.700 -0.107 0.000 2.142 2071 N HA -0.143 4.596 4.740 -0.001 0.000 0.186 2071 N C 1.609 176.986 175.510 -0.223 0.000 1.023 2071 N CA 0.901 53.846 53.050 -0.175 0.000 0.852 2071 N CB -0.293 38.064 38.487 -0.217 0.000 0.998 2071 N HN 0.114 nan 8.380 nan 0.000 0.424 2072 L N 1.792 122.845 121.223 -0.284 0.000 2.046 2072 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 2072 L C 2.166 178.966 176.870 -0.118 0.000 1.077 2072 L CA 1.690 56.385 54.840 -0.242 0.000 0.747 2072 L CB -0.453 41.309 42.059 -0.495 0.000 0.896 2072 L HN -0.075 nan 8.230 nan 0.000 0.432 2073 K N 0.084 120.428 120.400 -0.094 0.000 2.074 2073 K HA -0.159 4.160 4.320 -0.001 0.000 0.209 2073 K C 0.864 177.439 176.600 -0.043 0.000 1.048 2073 K CA 1.345 57.607 56.287 -0.043 0.000 0.926 2073 K CB -0.100 32.384 32.500 -0.026 0.000 0.713 2073 K HN 0.257 nan 8.250 nan 0.000 0.444 2077 S N 2.792 118.505 115.700 0.022 0.000 2.610 2077 S HA 0.607 5.077 4.470 -0.001 0.000 0.273 2077 S C -1.979 172.653 174.600 0.054 0.000 1.274 2077 S CA -0.981 57.238 58.200 0.032 0.000 1.023 2077 S CB 1.463 64.678 63.200 0.025 0.000 0.962 2077 S HN 0.130 nan 8.310 nan 0.000 0.523 2078 P HA -0.073 nan 4.420 nan 0.000 0.215 2078 P C 1.609 178.978 177.300 0.115 0.000 1.153 2078 P CA 0.443 63.592 63.100 0.082 0.000 0.853 2078 P CB -0.000 31.734 31.700 0.057 0.000 0.788 2079 L N 0.175 121.443 121.223 0.075 0.000 2.083 2079 L HA -0.148 4.192 4.340 -0.001 0.000 0.209 2079 L C 2.224 179.184 176.870 0.149 0.000 1.083 2079 L CA 1.868 56.758 54.840 0.084 0.000 0.752 2079 L CB -1.193 40.870 42.059 0.006 0.000 0.899 2079 L HN -0.040 nan 8.230 nan 0.000 0.433 2080 E N -0.573 119.692 120.200 0.109 0.000 2.110 2080 E HA -0.257 4.093 4.350 -0.001 0.000 0.193 2080 E C 2.044 178.747 176.600 0.172 0.000 0.988 2080 E CA 1.223 57.687 56.400 0.108 0.000 0.804 2080 E CB 0.031 29.763 29.700 0.053 0.000 0.745 2080 E HN 0.535 nan 8.360 nan 0.000 0.458 2081 K N -0.444 120.067 120.400 0.186 0.000 2.097 2081 K HA -0.171 4.149 4.320 -0.001 0.000 0.205 2081 K C 2.094 178.860 176.600 0.276 0.000 1.050 2081 K CA 1.271 57.703 56.287 0.242 0.000 0.938 2081 K CB -0.307 32.308 32.500 0.191 0.000 0.718 2081 K HN 0.242 nan 8.250 nan 0.000 0.442 2082 Y N 1.742 122.121 120.300 0.132 0.000 2.145 2082 Y HA -0.245 4.304 4.550 -0.001 0.000 0.286 2082 Y C 1.894 177.866 175.900 0.119 0.000 1.145 2082 Y CA 1.255 59.428 58.100 0.121 0.000 1.148 2082 Y CB 0.034 38.551 38.460 0.095 0.000 0.981 2082 Y HN -0.109 nan 8.280 nan 0.000 0.507 2083 I N -0.197 120.575 120.570 0.337 0.000 2.226 2083 I HA -0.301 3.868 4.170 -0.001 0.000 0.245 2083 I C 2.261 178.468 176.117 0.149 0.000 1.100 2083 I CA 1.529 62.953 61.300 0.206 0.000 1.374 2083 I CB -1.826 36.281 38.000 0.179 0.000 1.057 2083 I HN 0.362 nan 8.210 nan 0.000 0.413 2084 Y N 2.554 122.889 120.300 0.059 0.000 2.089 2084 Y HA -0.148 4.401 4.550 -0.001 0.000 0.282 2084 Y C 1.724 177.680 175.900 0.093 0.000 1.139 2084 Y CA 0.360 58.502 58.100 0.071 0.000 1.123 2084 Y CB -0.764 37.752 38.460 0.094 0.000 0.980 2084 Y HN 0.173 nan 8.280 nan 0.000 0.493 2088 I N 1.406 121.867 120.570 -0.181 0.000 2.315 2088 I HA -0.150 4.020 4.170 -0.001 0.000 0.248 2088 I C 2.636 178.597 176.117 -0.259 0.000 1.117 2088 I CA 1.685 62.888 61.300 -0.163 0.000 1.404 2088 I CB -0.057 37.847 38.000 -0.161 0.000 1.071 2088 I HN 0.280 nan 8.210 nan 0.000 0.419 2089 Q N 1.126 120.565 119.800 -0.601 0.000 2.234 2089 Q HA -0.210 4.129 4.340 -0.001 0.000 0.206 2089 Q C 1.292 177.019 176.000 -0.455 0.000 0.980 2089 Q CA 1.285 56.517 55.803 -0.951 0.000 0.869 2089 Q CB 0.189 27.889 28.738 -1.731 0.000 0.912 2089 Q HN 0.452 nan 8.270 nan 0.000 0.436 2090 E N -0.476 119.531 120.200 -0.321 0.000 2.463 2090 E HA 0.055 4.404 4.350 -0.001 0.000 0.193 2090 E C 0.866 177.389 176.600 -0.128 0.000 1.041 2090 E CA 0.094 56.374 56.400 -0.200 0.000 0.879 2090 E CB 0.546 30.136 29.700 -0.184 0.000 0.997 2090 E HN 0.274 nan 8.360 nan 0.000 0.478 2091 R N -0.014 120.418 120.500 -0.114 0.000 2.306 2091 R HA 0.156 4.495 4.340 -0.001 0.000 0.183 2091 R C 0.282 176.568 176.300 -0.023 0.000 0.937 2091 R CA 0.230 56.298 56.100 -0.054 0.000 1.118 2091 R CB 0.596 30.875 30.300 -0.036 0.000 1.224 2091 R HN -0.131 nan 8.270 nan 0.000 0.597 2092 N N 0.808 119.494 118.700 -0.023 0.000 2.607 2092 N HA 0.003 4.743 4.740 -0.001 0.000 0.271 2092 N C -0.480 175.064 175.510 0.057 0.000 1.142 2092 N CA 0.031 53.102 53.050 0.035 0.000 0.810 2092 N CB 1.551 40.073 38.487 0.058 0.000 1.306 2092 N HN 0.167 nan 8.380 nan 0.000 0.536 2093 E N 2.150 122.399 120.200 0.082 0.000 2.085 2093 E HA -0.209 4.140 4.350 -0.001 0.000 0.194 2093 E C 0.833 177.640 176.600 0.345 0.000 0.994 2093 E CA 1.378 57.871 56.400 0.154 0.000 0.801 2093 E CB 0.368 30.172 29.700 0.173 0.000 0.743 2093 E HN 0.283 nan 8.360 nan 0.000 0.453 2094 K N 0.388 120.994 120.400 0.343 0.000 2.032 2094 K HA -0.154 4.165 4.320 -0.001 0.000 0.209 2094 K C 1.999 178.654 176.600 0.092 0.000 1.048 2094 K CA 1.028 57.490 56.287 0.292 0.000 0.927 2094 K CB -0.542 32.074 32.500 0.193 0.000 0.712 2094 K HN 0.156 nan 8.250 nan 0.000 0.441 2095 L N 0.001 121.252 121.223 0.047 0.000 2.141 2095 L HA -0.039 4.301 4.340 -0.001 0.000 0.209 2095 L C 1.945 178.737 176.870 -0.131 0.000 1.094 2095 L CA 1.427 56.225 54.840 -0.070 0.000 0.763 2095 L CB -0.611 41.438 42.059 -0.015 0.000 0.908 2095 L HN 0.220 nan 8.230 nan 0.000 0.437 2096 F N -0.539 119.253 119.950 -0.263 0.000 2.095 2096 F HA -0.290 4.236 4.527 -0.001 0.000 0.298 2096 F C 2.028 177.555 175.800 -0.455 0.000 1.104 2096 F CA 1.907 59.636 58.000 -0.453 0.000 1.232 2096 F CB -0.644 38.039 39.000 -0.529 0.000 0.987 2096 F HN 0.150 nan 8.300 nan 0.000 0.475 2097 Y N -0.335 119.931 120.300 -0.056 0.000 2.314 2097 Y HA -0.135 4.414 4.550 -0.001 0.000 0.293 2097 Y C 2.554 178.350 175.900 -0.173 0.000 1.129 2097 Y CA 1.079 59.105 58.100 -0.123 0.000 1.201 2097 Y CB -0.433 38.179 38.460 0.253 0.000 0.999 2097 Y HN 0.002 nan 8.280 nan 0.000 0.541 2098 R N 0.867 121.332 120.500 -0.059 0.000 2.096 2098 R HA -0.147 4.192 4.340 -0.001 0.000 0.235 2098 R C 1.702 177.898 176.300 -0.173 0.000 1.127 2098 R CA 1.559 57.582 56.100 -0.127 0.000 0.968 2098 R CB -0.969 29.220 30.300 -0.184 0.000 0.861 2098 R HN 0.260 nan 8.270 nan 0.000 0.440 2099 I N 0.131 120.504 120.570 -0.330 0.000 2.252 2099 I HA -0.166 4.004 4.170 -0.001 0.000 0.245 2099 I C 1.686 177.613 176.117 -0.317 0.000 1.102 2099 I CA 1.003 62.029 61.300 -0.458 0.000 1.385 2099 I CB -0.389 37.001 38.000 -1.016 0.000 1.064 2099 I HN 0.140 nan 8.210 nan 0.000 0.414 2100 L N -0.315 120.669 121.223 -0.398 0.000 2.056 2100 L HA -0.210 4.129 4.340 -0.001 0.000 0.207 2100 L C 2.508 179.306 176.870 -0.120 0.000 1.078 2100 L CA 1.661 56.331 54.840 -0.282 0.000 0.749 2100 L CB -1.198 40.643 42.059 -0.363 0.000 0.901 2100 L HN 0.361 nan 8.230 nan 0.000 0.433 2101 Q N -0.402 119.345 119.800 -0.088 0.000 2.124 2101 Q HA -0.245 4.095 4.340 -0.001 0.000 0.202 2101 Q C 1.642 177.628 176.000 -0.024 0.000 0.977 2101 Q CA 1.765 57.543 55.803 -0.042 0.000 0.850 2101 Q CB -0.007 28.711 28.738 -0.034 0.000 0.901 2101 Q HN 0.442 nan 8.270 nan 0.000 0.429 2102 D N 0.497 120.896 120.400 -0.001 0.000 2.149 2102 D HA -0.120 4.520 4.640 -0.001 0.000 0.198 2102 D C 0.089 176.402 176.300 0.021 0.000 0.990 2102 D CA 1.345 55.367 54.000 0.038 0.000 0.839 2102 D CB 0.053 40.951 40.800 0.163 0.000 0.948 2102 D HN 0.237 nan 8.370 nan 0.000 0.460 2103 D N -1.173 119.249 120.400 0.037 0.000 2.826 2103 D HA 0.018 4.657 4.640 -0.001 0.000 0.239 2103 D C 0.604 176.915 176.300 0.018 0.000 1.329 2103 D CA -0.375 53.640 54.000 0.025 0.000 0.854 2103 D CB -0.183 40.639 40.800 0.037 0.000 1.494 2103 D HN -0.141 nan 8.370 nan 0.000 0.540 2104 I N 1.788 122.351 120.570 -0.011 0.000 2.361 2104 I HA -0.088 4.081 4.170 -0.001 0.000 0.251 2104 I C 1.902 178.009 176.117 -0.016 0.000 1.133 2104 I CA 1.654 62.935 61.300 -0.030 0.000 1.413 2104 I CB 0.097 38.064 38.000 -0.054 0.000 1.073 2104 I HN 0.444 nan 8.210 nan 0.000 0.424 2105 E N -0.140 120.058 120.200 -0.003 0.000 2.106 2105 E HA -0.216 4.133 4.350 -0.001 0.000 0.192 2105 E C 2.218 178.836 176.600 0.029 0.000 0.984 2105 E CA 1.486 57.892 56.400 0.010 0.000 0.806 2105 E CB -0.150 29.562 29.700 0.020 0.000 0.750 2105 E HN 0.658 nan 8.360 nan 0.000 0.458 2106 S N -0.223 115.500 115.700 0.038 0.000 2.461 2106 S HA 0.032 4.502 4.470 -0.001 0.000 0.228 2106 S C 1.115 175.757 174.600 0.069 0.000 1.005 2106 S CA 0.016 58.249 58.200 0.054 0.000 0.942 2106 S CB -0.160 63.076 63.200 0.059 0.000 0.776 2106 S HN 0.114 nan 8.310 nan 0.000 0.514 2110 I N 0.513 121.167 120.570 0.140 0.000 2.385 2110 I HA -0.030 4.140 4.170 -0.001 0.000 0.244 2110 I C 2.179 178.470 176.117 0.290 0.000 1.089 2110 I CA 1.421 62.834 61.300 0.189 0.000 1.410 2110 I CB -1.016 37.089 38.000 0.174 0.000 1.117 2110 I HN -0.074 nan 8.210 nan 0.000 0.429 2111 V N -2.566 117.493 119.914 0.241 0.000 3.129 2111 V HA -0.025 4.094 4.120 -0.001 0.000 0.259 2111 V C 1.222 177.542 176.094 0.376 0.000 1.116 2111 V CA 0.722 63.188 62.300 0.278 0.000 1.127 2111 V CB -0.864 31.041 31.823 0.137 0.000 0.742 2111 V HN 0.291 nan 8.190 nan 0.000 0.474 2112 Y N 0.448 120.831 120.300 0.138 0.000 3.123 2112 Y HA 0.603 5.152 4.550 -0.001 0.000 0.305 2112 Y C 0.860 176.802 175.900 0.070 0.000 1.560 2112 Y CA -0.774 57.390 58.100 0.107 0.000 1.048 2112 Y CB 1.039 39.547 38.460 0.080 0.000 1.380 2112 Y HN -0.040 nan 8.280 nan 0.000 0.618 2113 T N 4.053 118.335 114.554 -0.453 0.000 2.930 2113 T HA 0.177 4.526 4.350 -0.001 0.000 0.306 2113 T C -1.885 172.739 174.700 -0.125 0.000 1.045 2113 T CA -1.138 60.763 62.100 -0.332 0.000 1.134 2113 T CB 0.593 69.182 68.868 -0.465 0.000 0.961 2113 T HN 0.496 nan 8.240 nan 0.000 0.545 2114 P HA 0.107 nan 4.420 nan 0.000 0.245 2114 P C 1.314 178.567 177.300 -0.078 0.000 1.199 2114 P CA 0.347 63.379 63.100 -0.113 0.000 0.807 2114 P CB 0.119 31.758 31.700 -0.102 0.000 1.002 2115 T N 0.554 115.091 114.554 -0.029 0.000 2.803 2115 T HA -0.118 4.231 4.350 -0.001 0.000 0.269 2115 T C 1.837 176.485 174.700 -0.087 0.000 1.052 2115 T CA 1.141 63.226 62.100 -0.026 0.000 1.136 2115 T CB -1.056 67.848 68.868 0.060 0.000 0.864 2115 T HN -0.079 nan 8.240 nan 0.000 0.467 2116 V N 1.529 121.429 119.914 -0.022 0.000 2.490 2116 V HA -0.074 4.045 4.120 -0.001 0.000 0.250 2116 V C 2.501 178.521 176.094 -0.124 0.000 1.061 2116 V CA 2.189 64.468 62.300 -0.035 0.000 1.064 2116 V CB -1.035 30.845 31.823 0.096 0.000 0.670 2116 V HN 0.576 nan 8.190 nan 0.000 0.461 2117 G N -0.291 108.438 108.800 -0.118 0.000 2.402 2117 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.216 2117 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.216 2117 G C 1.492 176.325 174.900 -0.112 0.000 1.162 2117 G CA 1.071 46.106 45.100 -0.109 0.000 0.777 2117 G HN 0.498 nan 8.290 nan 0.000 0.539 2118 L N 1.493 122.640 121.223 -0.127 0.000 2.017 2118 L HA 0.155 4.494 4.340 -0.001 0.000 0.208 2118 L C 3.049 179.810 176.870 -0.181 0.000 1.073 2118 L CA 2.137 56.900 54.840 -0.129 0.000 0.745 2118 L CB -0.884 41.105 42.059 -0.116 0.000 0.894 2118 L HN 0.237 nan 8.230 nan 0.000 0.432 2119 A N -1.363 121.272 122.820 -0.308 0.000 1.902 2119 A HA -0.250 4.069 4.320 -0.001 0.000 0.217 2119 A C 2.425 179.940 177.584 -0.115 0.000 1.181 2119 A CA 1.896 53.701 52.037 -0.387 0.000 0.623 2119 A CB -1.494 16.870 19.000 -1.060 0.000 0.818 2119 A HN 0.624 nan 8.150 nan 0.000 0.443 2120 C N 0.028 119.254 119.300 -0.123 0.000 2.432 2120 C HA -0.101 4.358 4.460 -0.001 0.000 0.277 2120 C C 3.370 178.360 174.990 -0.001 0.000 1.249 2120 C CA 1.514 60.471 59.018 -0.101 0.000 1.725 2120 C CB -1.230 26.434 27.740 -0.127 0.000 2.028 2120 C HN 0.805 nan 8.230 nan 0.000 0.477 2121 S N -0.034 115.662 115.700 -0.006 0.000 2.469 2121 S HA -0.175 4.294 4.470 -0.001 0.000 0.238 2121 S C 1.202 175.806 174.600 0.006 0.000 0.998 2121 S CA 1.273 59.510 58.200 0.061 0.000 0.957 2121 S CB -0.486 62.715 63.200 0.002 0.000 0.764 2121 S HN 0.821 nan 8.310 nan 0.000 0.514 2122 Q N -1.249 118.462 119.800 -0.149 0.000 2.135 2122 Q HA 0.319 4.658 4.340 -0.001 0.000 0.231 2122 Q C 0.142 175.964 176.000 -0.296 0.000 0.817 2122 Q CA -0.400 55.218 55.803 -0.308 0.000 1.073 2122 Q CB 0.128 28.697 28.738 -0.281 0.000 1.176 2122 Q HN 0.467 nan 8.270 nan 0.000 0.478 2123 Y N 0.997 120.900 120.300 -0.662 0.000 2.102 2123 Y HA -0.231 4.318 4.550 -0.001 0.000 0.280 2123 Y C 2.202 177.859 175.900 -0.406 0.000 1.178 2123 Y CA 2.270 60.055 58.100 -0.525 0.000 1.146 2123 Y CB -0.294 37.887 38.460 -0.466 0.000 0.968 2123 Y HN 0.291 nan 8.280 nan 0.000 0.504 2124 G N -2.595 105.823 108.800 -0.636 0.000 2.534 2124 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.217 2124 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.217 2124 G C 1.025 175.938 174.900 0.021 0.000 1.128 2124 G CA 0.862 45.953 45.100 -0.015 0.000 0.784 2124 G HN 0.470 nan 8.290 nan 0.000 0.542 2125 H N -0.003 118.953 119.070 -0.191 0.000 2.497 2125 H HA 0.151 4.706 4.556 -0.001 0.000 0.282 2125 H C 2.304 177.499 175.328 -0.222 0.000 1.003 2125 H CA 0.747 56.627 56.048 -0.280 0.000 1.307 2125 H CB 0.012 29.678 29.762 -0.160 0.000 1.437 2125 H HN 0.551 nan 8.280 nan 0.000 0.544 2126 I N -3.066 117.486 120.570 -0.029 0.000 3.976 2126 I HA 0.181 4.351 4.170 -0.001 0.000 0.337 2126 I C 0.058 176.130 176.117 -0.076 0.000 1.359 2126 I CA -0.442 60.828 61.300 -0.050 0.000 1.098 2126 I CB -0.150 37.831 38.000 -0.031 0.000 1.027 2126 I HN -0.135 nan 8.210 nan 0.000 0.394 2127 F N 3.244 123.050 119.950 -0.241 0.000 2.607 2127 F HA 0.151 4.677 4.527 -0.001 0.000 0.374 2127 F C 1.124 176.828 175.800 -0.160 0.000 1.104 2127 F CA 0.671 58.520 58.000 -0.251 0.000 1.296 2127 F CB 0.513 39.376 39.000 -0.229 0.000 1.085 2127 F HN 0.040 nan 8.300 nan 0.000 0.584 2128 R N 3.325 123.232 120.500 -0.988 0.000 2.840 2128 R HA 0.315 4.654 4.340 -0.001 0.000 0.173 2128 R C -0.290 175.426 176.300 -0.973 0.000 0.791 2128 R CA -0.469 55.208 56.100 -0.706 0.000 1.069 2128 R CB 0.629 30.714 30.300 -0.358 0.000 1.537 2128 R HN 0.499 nan 8.270 nan 0.000 0.609 2129 R N 1.273 121.143 120.500 -1.050 0.000 2.698 2129 R HA 0.381 4.720 4.340 -0.001 0.000 0.275 2129 R C -2.746 173.276 176.300 -0.462 0.000 1.001 2129 R CA -1.731 53.983 56.100 -0.643 0.000 0.896 2129 R CB 2.604 32.726 30.300 -0.298 0.000 1.218 2129 R HN -0.019 nan 8.270 nan 0.000 0.462 2130 P HA 0.290 nan 4.420 nan 0.000 0.278 2130 P C -1.320 176.139 177.300 0.264 0.000 1.258 2130 P CA -0.484 62.817 63.100 0.335 0.000 0.811 2130 P CB 1.250 33.215 31.700 0.442 0.000 1.063 2131 K N 0.218 120.840 120.400 0.370 0.000 2.469 2131 K HA 0.608 4.927 4.320 -0.001 0.000 0.254 2131 K C -0.057 176.646 176.600 0.171 0.000 0.939 2131 K CA -0.604 55.824 56.287 0.235 0.000 0.812 2131 K CB 2.077 34.661 32.500 0.140 0.000 1.301 2131 K HN 0.891 nan 8.250 nan 0.000 0.433 2132 G N 1.205 110.115 108.800 0.183 0.000 2.804 2132 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.230 2132 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.230 2132 G C -0.888 173.879 174.900 -0.222 0.000 1.386 2132 G CA -0.861 44.133 45.100 -0.177 0.000 0.875 2132 G HN 0.427 nan 8.290 nan 0.000 0.557 2133 L N -0.411 120.510 121.223 -0.504 0.000 2.325 2133 L HA 0.684 5.023 4.340 -0.001 0.000 0.279 2133 L C -0.333 176.267 176.870 -0.451 0.000 1.054 2133 L CA -0.631 54.044 54.840 -0.276 0.000 0.804 2133 L CB 1.144 43.049 42.059 -0.256 0.000 1.200 2133 L HN 0.418 nan 8.230 nan 0.000 0.436 2134 F N 4.015 123.953 119.950 -0.020 0.000 2.449 2134 F HA 0.511 5.038 4.527 -0.001 0.000 0.342 2134 F C 0.024 175.795 175.800 -0.048 0.000 1.127 2134 F CA -0.428 57.542 58.000 -0.051 0.000 0.975 2134 F CB 1.310 40.296 39.000 -0.024 0.000 1.146 2134 F HN 0.146 nan 8.300 nan 0.000 0.444 2135 I N 3.125 123.722 120.570 0.045 0.000 2.410 2135 I HA 0.336 4.505 4.170 -0.001 0.000 0.286 2135 I C -0.286 175.838 176.117 0.011 0.000 1.009 2135 I CA -0.465 60.846 61.300 0.018 0.000 1.111 2135 I CB 1.739 39.707 38.000 -0.053 0.000 1.262 2135 I HN 0.621 nan 8.210 nan 0.000 0.443 2136 S N 5.015 120.740 115.700 0.041 0.000 2.690 2136 S HA 0.408 4.877 4.470 -0.001 0.000 0.291 2136 S C 0.814 175.444 174.600 0.050 0.000 1.138 2136 S CA -0.683 57.540 58.200 0.038 0.000 1.013 2136 S CB 1.992 65.211 63.200 0.032 0.000 1.053 2136 S HN 0.570 nan 8.310 nan 0.000 0.539 2137 I N 1.834 122.441 120.570 0.062 0.000 2.423 2137 I HA -0.096 4.074 4.170 -0.001 0.000 0.254 2137 I C 2.070 178.232 176.117 0.074 0.000 1.151 2137 I CA 1.451 62.797 61.300 0.078 0.000 1.421 2137 I CB -0.856 37.202 38.000 0.097 0.000 1.079 2137 I HN 0.753 nan 8.210 nan 0.000 0.431 2138 S N 0.219 115.959 115.700 0.066 0.000 2.507 2138 S HA -0.070 4.399 4.470 -0.001 0.000 0.235 2138 S C 1.189 175.844 174.600 0.092 0.000 0.988 2138 S CA 0.934 59.175 58.200 0.069 0.000 0.944 2138 S CB -0.364 62.867 63.200 0.051 0.000 0.762 2138 S HN 0.526 nan 8.310 nan 0.000 0.526 2139 D N 1.490 121.948 120.400 0.097 0.000 2.363 2139 D HA 0.028 4.667 4.640 -0.001 0.000 0.214 2139 D C 0.528 176.916 176.300 0.147 0.000 1.093 2139 D CA -0.060 54.023 54.000 0.139 0.000 0.837 2139 D CB 0.116 40.982 40.800 0.110 0.000 0.948 2139 D HN 0.542 nan 8.370 nan 0.000 0.507 2140 R N 0.088 120.647 120.500 0.100 0.000 2.537 2140 R HA 0.241 4.580 4.340 -0.001 0.000 0.281 2140 R C 0.977 177.266 176.300 -0.019 0.000 0.988 2140 R CA 0.901 57.030 56.100 0.049 0.000 1.077 2140 R CB 0.079 30.408 30.300 0.048 0.000 0.932 2140 R HN 0.008 nan 8.270 nan 0.000 0.409 2141 G N 1.975 110.713 108.800 -0.104 0.000 2.234 2141 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.235 2141 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.235 2141 G C 0.338 174.935 174.900 -0.506 0.000 0.997 2141 G CA 0.184 45.097 45.100 -0.312 0.000 0.623 2141 G HN 0.794 nan 8.290 nan 0.000 0.514 2142 H N -0.189 118.898 119.070 0.028 0.000 2.649 2142 H HA 0.411 4.966 4.556 -0.001 0.000 0.258 2142 H C 1.955 177.302 175.328 0.031 0.000 1.165 2142 H CA 0.434 56.498 56.048 0.027 0.000 1.006 2142 H CB 0.476 30.255 29.762 0.028 0.000 1.743 2142 H HN 0.246 nan 8.280 nan 0.000 0.609 2143 V N 0.803 120.771 119.914 0.090 0.000 2.407 2143 V HA -0.260 3.860 4.120 -0.001 0.000 0.248 2143 V C 2.780 178.916 176.094 0.070 0.000 1.055 2143 V CA 1.818 64.169 62.300 0.085 0.000 1.049 2143 V CB -0.233 31.632 31.823 0.071 0.000 0.662 2143 V HN 0.214 nan 8.190 nan 0.000 0.455 2144 R N 1.733 122.258 120.500 0.042 0.000 2.091 2144 R HA -0.157 4.182 4.340 -0.001 0.000 0.238 2144 R C 2.529 178.854 176.300 0.042 0.000 1.136 2144 R CA 2.133 58.245 56.100 0.020 0.000 0.959 2144 R CB -0.963 29.337 30.300 -0.000 0.000 0.856 2144 R HN 0.679 nan 8.270 nan 0.000 0.437 2145 S N -0.647 115.096 115.700 0.072 0.000 2.423 2145 S HA -0.085 4.384 4.470 -0.001 0.000 0.231 2145 S C 2.116 176.766 174.600 0.083 0.000 1.014 2145 S CA 1.183 59.427 58.200 0.073 0.000 0.965 2145 S CB -0.441 62.812 63.200 0.087 0.000 0.785 2145 S HN 0.364 nan 8.310 nan 0.000 0.495 2146 I N 1.132 121.760 120.570 0.097 0.000 2.233 2146 I HA -0.095 4.074 4.170 -0.001 0.000 0.243 2146 I C 2.390 178.587 176.117 0.133 0.000 1.093 2146 I CA 0.880 62.249 61.300 0.115 0.000 1.380 2146 I CB -0.298 37.771 38.000 0.115 0.000 1.067 2146 I HN 0.200 nan 8.210 nan 0.000 0.413 2147 V N 0.673 120.651 119.914 0.106 0.000 2.490 2147 V HA -0.283 3.837 4.120 -0.001 0.000 0.250 2147 V C 1.711 177.882 176.094 0.127 0.000 1.061 2147 V CA 1.769 64.136 62.300 0.112 0.000 1.064 2147 V CB -0.675 31.169 31.823 0.036 0.000 0.670 2147 V HN 0.415 nan 8.190 nan 0.000 0.461 2148 D N -0.028 120.419 120.400 0.077 0.000 2.348 2148 D HA -0.074 4.566 4.640 -0.001 0.000 0.216 2148 D C 1.744 178.110 176.300 0.110 0.000 0.970 2148 D CA 0.520 54.556 54.000 0.061 0.000 0.889 2148 D CB -0.226 40.589 40.800 0.026 0.000 0.912 2148 D HN 0.395 nan 8.370 nan 0.000 0.524 2149 N N -0.219 118.571 118.700 0.150 0.000 2.446 2149 N HA -0.081 4.659 4.740 -0.001 0.000 0.179 2149 N C 0.355 175.990 175.510 0.209 0.000 1.054 2149 N CA -0.008 53.132 53.050 0.150 0.000 0.905 2149 N CB 0.057 38.629 38.487 0.143 0.000 0.973 2149 N HN 0.357 nan 8.380 nan 0.000 0.448 2150 W N 2.899 124.246 121.300 0.079 0.000 2.322 2150 W HA 0.038 4.697 4.660 -0.001 0.000 0.328 2150 W C -1.635 174.940 176.519 0.093 0.000 1.395 2150 W CA -1.205 56.195 57.345 0.092 0.000 1.267 2150 W CB 0.931 30.474 29.460 0.138 0.000 1.259 2150 W HN 0.088 nan 8.180 nan 0.000 0.560 2151 P HA -0.151 nan 4.420 nan 0.000 0.218 2151 P C -0.148 177.047 177.300 -0.175 0.000 1.149 2151 P CA 1.547 64.465 63.100 -0.304 0.000 0.817 2151 P CB 0.180 31.625 31.700 -0.424 0.000 0.785 2152 E N 0.075 120.146 120.200 -0.216 0.000 2.289 2152 E HA 0.095 4.444 4.350 -0.001 0.000 0.278 2152 E C 0.648 177.448 176.600 0.334 0.000 1.032 2152 E CA -0.094 56.353 56.400 0.079 0.000 0.854 2152 E CB 0.328 30.105 29.700 0.129 0.000 1.046 2152 E HN 0.140 nan 8.360 nan 0.000 0.409 2153 N N 1.002 119.870 118.700 0.280 0.000 2.395 2153 N HA -0.099 4.641 4.740 -0.001 0.000 0.175 2153 N C 0.229 176.057 175.510 0.530 0.000 1.029 2153 N CA 0.613 53.888 53.050 0.375 0.000 0.897 2153 N CB 0.165 38.773 38.487 0.201 0.000 0.991 2153 N HN 0.387 nan 8.380 nan 0.000 0.441 2154 H N 1.012 120.218 119.070 0.227 0.000 2.317 2154 H HA 0.349 4.904 4.556 -0.001 0.000 0.231 2154 H C -0.906 174.405 175.328 -0.028 0.000 1.442 2154 H CA -0.535 55.611 56.048 0.163 0.000 1.336 2154 H CB -0.542 29.285 29.762 0.108 0.000 1.533 2154 H HN -0.313 nan 8.280 nan 0.000 0.522 2155 V N 3.649 123.305 119.914 -0.431 0.000 2.585 2155 V HA 0.045 4.164 4.120 -0.001 0.000 0.296 2155 V C 1.077 176.861 176.094 -0.516 0.000 1.035 2155 V CA 0.346 62.236 62.300 -0.684 0.000 1.084 2155 V CB 1.153 32.166 31.823 -1.350 0.000 0.953 2155 V HN 0.640 nan 8.190 nan 0.000 0.483 2156 K N 2.897 123.067 120.400 -0.384 0.000 2.412 2156 K HA 0.440 4.759 4.320 -0.001 0.000 0.202 2156 K C 0.175 176.697 176.600 -0.130 0.000 1.102 2156 K CA 0.424 56.559 56.287 -0.254 0.000 1.027 2156 K CB 1.538 33.897 32.500 -0.235 0.000 0.931 2156 K HN 0.690 nan 8.250 nan 0.000 0.557 2157 A N 1.165 123.891 122.820 -0.157 0.000 2.459 2157 A HA 0.595 4.915 4.320 -0.001 0.000 0.296 2157 A C -1.077 176.372 177.584 -0.225 0.000 1.039 2157 A CA -0.530 51.456 52.037 -0.085 0.000 0.698 2157 A CB 1.701 20.762 19.000 0.103 0.000 1.261 2157 A HN -0.100 nan 8.150 nan 0.000 0.405 2158 V N 2.155 121.945 119.914 -0.206 0.000 2.604 2158 V HA 0.614 4.733 4.120 -0.001 0.000 0.305 2158 V C -0.604 175.326 176.094 -0.274 0.000 1.043 2158 V CA -0.564 61.574 62.300 -0.271 0.000 0.888 2158 V CB 1.937 33.627 31.823 -0.222 0.000 0.995 2158 V HN 0.723 nan 8.190 nan 0.000 0.429 2159 V N 4.995 124.708 119.914 -0.335 0.000 2.444 2159 V HA 0.597 4.717 4.120 -0.001 0.000 0.294 2159 V C -0.442 175.465 176.094 -0.311 0.000 1.022 2159 V CA -0.541 61.564 62.300 -0.325 0.000 0.850 2159 V CB 1.900 33.505 31.823 -0.364 0.000 0.992 2159 V HN 0.629 nan 8.190 nan 0.000 0.426 2160 V N 4.716 124.446 119.914 -0.306 0.000 2.823 2160 V HA 0.908 5.027 4.120 -0.001 0.000 0.312 2160 V C -0.420 175.607 176.094 -0.112 0.000 1.072 2160 V CA 0.170 62.280 62.300 -0.317 0.000 0.937 2160 V CB 2.544 34.074 31.823 -0.488 0.000 1.013 2160 V HN 0.980 nan 8.190 nan 0.000 0.430 2161 T N 2.325 116.734 114.554 -0.242 0.000 2.843 2161 T HA 0.471 4.821 4.350 -0.001 0.000 0.302 2161 T C -0.738 173.549 174.700 -0.688 0.000 1.232 2161 T CA 0.217 62.065 62.100 -0.421 0.000 1.009 2161 T CB 1.812 70.511 68.868 -0.282 0.000 1.254 2161 T HN 0.957 nan 8.240 nan 0.000 0.504 2162 D N 0.042 119.853 120.400 -0.982 0.000 2.469 2162 D HA 0.252 4.891 4.640 -0.001 0.000 0.215 2162 D C 1.366 177.467 176.300 -0.333 0.000 1.154 2162 D CA 0.629 54.284 54.000 -0.576 0.000 0.832 2162 D CB -0.266 40.224 40.800 -0.517 0.000 1.008 2162 D HN 1.103 nan 8.370 nan 0.000 0.506 2163 G N 1.328 109.935 108.800 -0.320 0.000 2.187 2163 G HA2 -0.422 3.537 3.960 -0.001 0.000 0.261 2163 G HA3 -0.422 3.537 3.960 -0.001 0.000 0.261 2163 G C 0.733 175.557 174.900 -0.125 0.000 1.000 2163 G CA 0.720 45.716 45.100 -0.173 0.000 0.718 2163 G HN 0.513 nan 8.290 nan 0.000 0.519 2164 E N -0.550 119.563 120.200 -0.144 0.000 2.299 2164 E HA 0.050 4.399 4.350 -0.001 0.000 0.193 2164 E C 1.596 178.167 176.600 -0.048 0.000 0.998 2164 E CA 0.240 56.591 56.400 -0.081 0.000 0.851 2164 E CB 0.063 29.725 29.700 -0.064 0.000 0.795 2164 E HN 0.312 nan 8.360 nan 0.000 0.492 2165 R N 1.428 121.901 120.500 -0.044 0.000 2.644 2165 R HA 0.183 4.522 4.340 -0.001 0.000 0.271 2165 R C -1.132 175.149 176.300 -0.032 0.000 1.687 2165 R CA -0.439 55.648 56.100 -0.022 0.000 1.655 2165 R CB 0.245 30.549 30.300 0.007 0.000 1.285 2165 R HN 0.097 nan 8.270 nan 0.000 0.643 2166 I N 5.585 126.129 120.570 -0.044 0.000 2.347 2166 I HA 0.063 4.232 4.170 -0.001 0.000 0.294 2166 I C 1.477 177.565 176.117 -0.048 0.000 1.090 2166 I CA 0.327 61.596 61.300 -0.051 0.000 1.314 2166 I CB -0.419 37.548 38.000 -0.055 0.000 1.423 2166 I HN 0.587 nan 8.210 nan 0.000 0.503 2167 L N 5.018 126.212 121.223 -0.049 0.000 6.828 2167 L HA -0.298 4.041 4.340 -0.001 0.000 0.053 2167 L C 1.428 178.273 176.870 -0.042 0.000 1.638 2167 L CA 1.275 56.082 54.840 -0.055 0.000 1.687 2167 L CB -1.405 40.605 42.059 -0.082 0.000 2.704 2167 L HN 0.683 nan 8.230 nan 0.000 1.061 2168 G N -0.570 108.202 108.800 -0.046 0.000 3.448 2168 G HA2 0.457 4.416 3.960 -0.001 0.000 0.261 2168 G HA3 0.457 4.416 3.960 -0.001 0.000 0.261 2168 G C 0.862 175.741 174.900 -0.034 0.000 1.173 2168 G CA -0.021 45.057 45.100 -0.037 0.000 0.835 2168 G HN 0.333 nan 8.290 nan 0.000 0.534 2169 L N -0.250 120.951 121.223 -0.036 0.000 2.567 2169 L HA 0.307 4.646 4.340 -0.001 0.000 0.225 2169 L C 1.746 178.601 176.870 -0.025 0.000 1.119 2169 L CA 0.421 55.243 54.840 -0.030 0.000 0.871 2169 L CB -0.224 41.817 42.059 -0.030 0.000 1.036 2169 L HN 0.372 nan 8.230 nan 0.000 0.459 2170 G N 0.623 109.407 108.800 -0.027 0.000 2.542 2170 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.235 2170 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.235 2170 G C -0.483 174.398 174.900 -0.032 0.000 1.286 2170 G CA -0.168 44.916 45.100 -0.026 0.000 0.904 2170 G HN 0.214 nan 8.290 nan 0.000 0.577 2171 D N 1.100 121.478 120.400 -0.038 0.000 2.344 2171 D HA 0.378 5.017 4.640 -0.001 0.000 0.253 2171 D C 1.375 177.646 176.300 -0.049 0.000 1.255 2171 D CA 0.005 53.975 54.000 -0.049 0.000 0.894 2171 D CB 0.219 40.983 40.800 -0.059 0.000 1.067 2171 D HN 0.397 nan 8.370 nan 0.000 0.492 2172 L N 3.154 124.360 121.223 -0.029 0.000 2.808 2172 L HA 0.267 4.607 4.340 -0.001 0.000 0.246 2172 L C 1.652 178.542 176.870 0.034 0.000 1.153 2172 L CA -0.060 54.786 54.840 0.010 0.000 0.956 2172 L CB -0.054 42.050 42.059 0.075 0.000 1.270 2172 L HN 0.631 nan 8.230 nan 0.000 0.528 2173 G N 0.860 109.662 108.800 0.004 0.000 2.596 2173 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.295 2173 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.295 2173 G C 0.774 175.732 174.900 0.096 0.000 1.240 2173 G CA 0.209 45.350 45.100 0.067 0.000 0.985 2173 G HN -0.094 nan 8.290 nan 0.000 0.555 2174 V N 0.692 120.686 119.914 0.133 0.000 2.867 2174 V HA -0.117 4.002 4.120 -0.001 0.000 0.260 2174 V C 2.235 178.478 176.094 0.250 0.000 1.099 2174 V CA 2.458 64.817 62.300 0.099 0.000 1.122 2174 V CB -0.858 30.927 31.823 -0.064 0.000 0.708 2174 V HN 0.541 nan 8.190 nan 0.000 0.490 2175 Y N 0.603 120.970 120.300 0.112 0.000 2.574 2175 Y HA 0.029 4.578 4.550 -0.001 0.000 0.294 2175 Y C 1.931 177.697 175.900 -0.223 0.000 1.142 2175 Y CA -0.225 57.916 58.100 0.068 0.000 1.314 2175 Y CB -0.052 38.510 38.460 0.170 0.000 0.991 2175 Y HN 0.442 nan 8.280 nan 0.000 0.555 2179 I N 1.967 122.460 120.570 -0.129 0.000 2.193 2179 I HA 0.023 4.193 4.170 -0.001 0.000 0.240 2179 I C -0.224 175.861 176.117 -0.053 0.000 1.084 2179 I CA 1.017 62.286 61.300 -0.052 0.000 1.365 2179 I CB -1.737 36.216 38.000 -0.077 0.000 1.064 2179 I HN 0.004 nan 8.210 nan 0.000 0.410 2180 P HA -0.092 nan 4.420 nan 0.000 0.216 2180 P C 2.246 179.467 177.300 -0.132 0.000 1.150 2180 P CA 1.061 64.060 63.100 -0.169 0.000 0.837 2180 P CB 0.077 31.636 31.700 -0.234 0.000 0.786 2181 V N -0.111 119.758 119.914 -0.073 0.000 2.295 2181 V HA -0.190 3.930 4.120 -0.001 0.000 0.246 2181 V C 2.562 178.686 176.094 0.051 0.000 1.049 2181 V CA 2.587 64.880 62.300 -0.012 0.000 1.024 2181 V CB -1.823 30.038 31.823 0.063 0.000 0.648 2181 V HN 0.182 nan 8.190 nan 0.000 0.447 2182 G N -0.452 108.413 108.800 0.109 0.000 2.402 2182 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.216 2182 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.216 2182 G C 1.647 176.647 174.900 0.166 0.000 1.162 2182 G CA 0.441 45.656 45.100 0.191 0.000 0.777 2182 G HN 0.361 nan 8.290 nan 0.000 0.539 2183 K N 0.305 120.769 120.400 0.106 0.000 2.063 2183 K HA 0.046 4.365 4.320 -0.001 0.000 0.208 2183 K C 2.484 179.162 176.600 0.130 0.000 1.048 2183 K CA 0.632 56.966 56.287 0.079 0.000 0.928 2183 K CB -0.588 31.813 32.500 -0.166 0.000 0.713 2183 K HN 0.332 nan 8.250 nan 0.000 0.442 2184 L N 0.402 121.581 121.223 -0.073 0.000 2.201 2184 L HA -0.174 4.165 4.340 -0.001 0.000 0.212 2184 L C 2.587 179.520 176.870 0.105 0.000 1.105 2184 L CA 0.570 55.306 54.840 -0.172 0.000 0.775 2184 L CB -0.402 41.486 42.059 -0.285 0.000 0.913 2184 L HN 0.175 nan 8.230 nan 0.000 0.440 2185 C N -0.193 119.224 119.300 0.194 0.000 2.425 2185 C HA -0.123 4.337 4.460 -0.001 0.000 0.277 2185 C C 2.651 177.835 174.990 0.324 0.000 1.280 2185 C CA 0.463 59.702 59.018 0.369 0.000 1.744 2185 C CB -0.708 27.248 27.740 0.359 0.000 1.989 2185 C HN 0.448 nan 8.230 nan 0.000 0.491 2186 L N -1.189 120.181 121.223 0.246 0.000 2.217 2186 L HA -0.106 4.233 4.340 -0.001 0.000 0.211 2186 L C 2.432 179.431 176.870 0.215 0.000 1.107 2186 L CA 1.203 56.142 54.840 0.164 0.000 0.783 2186 L CB -0.699 41.416 42.059 0.094 0.000 0.919 2186 L HN 0.282 nan 8.230 nan 0.000 0.442 2187 Y N 0.887 121.259 120.300 0.121 0.000 2.128 2187 Y HA -0.278 4.271 4.550 -0.001 0.000 0.284 2187 Y C 2.855 178.729 175.900 -0.043 0.000 1.154 2187 Y CA 1.929 60.072 58.100 0.070 0.000 1.149 2187 Y CB -0.871 37.622 38.460 0.054 0.000 0.976 2187 Y HN 0.139 nan 8.280 nan 0.000 0.505 2188 T N -0.673 113.919 114.554 0.063 0.000 2.809 2188 T HA -0.053 4.296 4.350 -0.001 0.000 0.260 2188 T C 2.203 176.834 174.700 -0.115 0.000 1.039 2188 T CA 1.122 63.097 62.100 -0.208 0.000 1.141 2188 T CB -0.668 67.730 68.868 -0.785 0.000 0.869 2188 T HN 0.353 nan 8.240 nan 0.000 0.437 2189 A N 0.532 123.367 122.820 0.025 0.000 1.933 2189 A HA -0.106 4.213 4.320 -0.001 0.000 0.218 2189 A C 2.581 180.162 177.584 -0.004 0.000 1.175 2189 A CA 1.541 53.625 52.037 0.079 0.000 0.628 2189 A CB -1.144 17.920 19.000 0.107 0.000 0.814 2189 A HN 0.638 nan 8.150 nan 0.000 0.444 2190 C N -2.156 117.118 119.300 -0.044 0.000 2.524 2190 C HA 0.461 4.920 4.460 -0.001 0.000 0.284 2190 C C 2.728 177.667 174.990 -0.085 0.000 1.346 2190 C CA 0.526 59.485 59.018 -0.099 0.000 1.739 2190 C CB -0.602 27.024 27.740 -0.190 0.000 2.119 2190 C HN 0.673 nan 8.230 nan 0.000 0.501 2191 A N -0.447 122.326 122.820 -0.079 0.000 2.470 2191 A HA 0.508 4.827 4.320 -0.001 0.000 0.251 2191 A C 1.491 179.057 177.584 -0.030 0.000 1.245 2191 A CA 0.903 52.896 52.037 -0.073 0.000 0.932 2191 A CB -0.624 18.304 19.000 -0.121 0.000 1.037 2191 A HN 1.147 nan 8.150 nan 0.000 0.522 2192 G N 0.225 109.027 108.800 0.003 0.000 2.249 2192 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.273 2192 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.273 2192 G C 0.095 175.039 174.900 0.073 0.000 1.036 2192 G CA 0.506 45.652 45.100 0.078 0.000 0.824 2192 G HN 0.523 nan 8.290 nan 0.000 0.504 2193 I N 0.304 120.869 120.570 -0.008 0.000 2.529 2193 I HA 0.164 4.333 4.170 -0.001 0.000 0.284 2193 I C 1.412 177.424 176.117 -0.176 0.000 1.082 2193 I CA -0.586 60.699 61.300 -0.025 0.000 1.406 2193 I CB 0.574 38.607 38.000 0.055 0.000 1.405 2193 I HN 0.089 nan 8.210 nan 0.000 0.548 2194 R N 7.998 128.386 120.500 -0.186 0.000 2.473 2194 R HA 0.022 4.362 4.340 -0.001 0.000 0.315 2194 R C -1.352 174.647 176.300 -0.502 0.000 0.972 2194 R CA -0.983 54.843 56.100 -0.457 0.000 1.047 2194 R CB 0.161 30.344 30.300 -0.195 0.000 0.932 2194 R HN 0.466 nan 8.270 nan 0.000 0.411 2195 P HA -0.221 nan 4.420 nan 0.000 0.218 2195 P C 0.517 177.674 177.300 -0.238 0.000 1.148 2195 P CA 1.395 64.213 63.100 -0.470 0.000 0.822 2195 P CB 0.098 31.478 31.700 -0.533 0.000 0.784 2196 D N -0.744 119.524 120.400 -0.220 0.000 2.378 2196 D HA -0.125 4.514 4.640 -0.001 0.000 0.227 2196 D C 1.284 177.551 176.300 -0.055 0.000 1.012 2196 D CA 0.489 54.442 54.000 -0.077 0.000 0.905 2196 D CB -0.341 40.435 40.800 -0.040 0.000 0.895 2196 D HN 0.093 nan 8.370 nan 0.000 0.532 2197 R N -0.219 120.205 120.500 -0.126 0.000 2.432 2197 R HA 0.222 4.561 4.340 -0.001 0.000 0.260 2197 R C -0.177 176.009 176.300 -0.190 0.000 0.935 2197 R CA -0.215 55.787 56.100 -0.163 0.000 1.080 2197 R CB -0.225 29.970 30.300 -0.176 0.000 1.155 2197 R HN 0.154 nan 8.270 nan 0.000 0.531 2198 C N 1.298 120.502 119.300 -0.159 0.000 2.411 2198 C HA 0.621 5.080 4.460 -0.001 0.000 0.330 2198 C C -0.260 174.589 174.990 -0.234 0.000 1.224 2198 C CA -1.025 57.863 59.018 -0.217 0.000 1.770 2198 C CB 1.269 28.875 27.740 -0.224 0.000 2.297 2198 C HN 0.266 nan 8.230 nan 0.000 0.507 2199 L N 5.565 126.561 121.223 -0.378 0.000 2.446 2199 L HA 0.579 4.918 4.340 -0.001 0.000 0.268 2199 L C -2.820 173.745 176.870 -0.509 0.000 0.975 2199 L CA -1.744 52.760 54.840 -0.561 0.000 0.848 2199 L CB 1.449 43.051 42.059 -0.761 0.000 1.225 2199 L HN 0.396 nan 8.230 nan 0.000 0.410 2200 P HA 0.442 nan 4.420 nan 0.000 0.285 2200 P C -1.321 175.690 177.300 -0.483 0.000 1.259 2200 P CA -0.288 62.572 63.100 -0.400 0.000 0.794 2200 P CB 1.588 33.114 31.700 -0.290 0.000 0.940 2201 V N 2.953 122.601 119.914 -0.443 0.000 2.709 2201 V HA 0.416 4.536 4.120 -0.001 0.000 0.308 2201 V C -0.584 175.219 176.094 -0.485 0.000 1.062 2201 V CA -0.506 61.502 62.300 -0.487 0.000 0.901 2201 V CB 2.414 33.972 31.823 -0.441 0.000 1.003 2201 V HN 0.664 nan 8.190 nan 0.000 0.425 2202 C N 6.528 125.524 119.300 -0.506 0.000 2.340 2202 C HA 0.658 5.117 4.460 -0.001 0.000 0.323 2202 C C -0.584 174.230 174.990 -0.293 0.000 1.260 2202 C CA -0.506 58.287 59.018 -0.375 0.000 1.464 2202 C CB -0.088 27.479 27.740 -0.289 0.000 2.156 2202 C HN 0.714 nan 8.230 nan 0.000 0.476 2203 I N 5.330 125.715 120.570 -0.308 0.000 2.304 2203 I HA 0.290 4.459 4.170 -0.001 0.000 0.291 2203 I C 0.001 176.057 176.117 -0.102 0.000 1.018 2203 I CA 0.360 61.522 61.300 -0.229 0.000 1.260 2203 I CB 1.105 38.946 38.000 -0.264 0.000 1.390 2203 I HN 0.681 nan 8.210 nan 0.000 0.475 2204 D N 6.465 126.847 120.400 -0.030 0.000 2.392 2204 D HA 0.341 4.980 4.640 -0.001 0.000 0.228 2204 D C 0.426 176.752 176.300 0.044 0.000 1.074 2204 D CA -0.354 53.651 54.000 0.009 0.000 0.838 2204 D CB 1.358 42.166 40.800 0.014 0.000 1.067 2204 D HN 0.323 nan 8.370 nan 0.000 0.511 2205 V N 1.644 121.597 119.914 0.066 0.000 3.159 2205 V HA 0.738 4.857 4.120 -0.001 0.000 0.333 2205 V C 0.732 176.856 176.094 0.050 0.000 1.424 2205 V CA 0.392 62.750 62.300 0.096 0.000 1.125 2205 V CB -0.252 31.692 31.823 0.201 0.000 1.075 2205 V HN 0.748 nan 8.190 nan 0.000 0.482 2206 G N -0.090 108.732 108.800 0.036 0.000 2.498 2206 G HA2 0.290 4.250 3.960 -0.001 0.000 0.651 2206 G HA3 0.290 4.250 3.960 -0.001 0.000 0.651 2206 G C -0.459 174.439 174.900 -0.004 0.000 1.284 2206 G CA 0.071 45.185 45.100 0.023 0.000 0.950 2206 G HN 1.367 nan 8.290 nan 0.000 0.511 2207 T N -1.327 113.201 114.554 -0.044 0.000 2.932 2207 T HA 0.577 4.927 4.350 -0.001 0.000 0.318 2207 T C -0.869 173.768 174.700 -0.105 0.000 1.265 2207 T CA 0.205 62.251 62.100 -0.090 0.000 1.036 2207 T CB 1.746 70.521 68.868 -0.155 0.000 1.209 2207 T HN 0.428 nan 8.240 nan 0.000 0.484 2208 D N 2.166 122.509 120.400 -0.095 0.000 2.342 2208 D HA 0.143 4.782 4.640 -0.001 0.000 0.221 2208 D C 0.230 176.475 176.300 -0.093 0.000 1.101 2208 D CA -0.031 53.920 54.000 -0.081 0.000 0.837 2208 D CB 0.159 40.923 40.800 -0.061 0.000 0.938 2208 D HN 0.399 nan 8.370 nan 0.000 0.508 2209 N N 2.008 120.629 118.700 -0.133 0.000 2.402 2209 N HA -0.007 4.733 4.740 -0.001 0.000 0.252 2209 N C 1.206 176.627 175.510 -0.148 0.000 1.118 2209 N CA -0.242 52.726 53.050 -0.137 0.000 0.945 2209 N CB 0.530 38.912 38.487 -0.175 0.000 1.147 2209 N HN -0.126 nan 8.380 nan 0.000 0.495 2210 I N 2.927 123.440 120.570 -0.096 0.000 2.163 2210 I HA -0.257 3.912 4.170 -0.001 0.000 0.243 2210 I C 2.209 178.278 176.117 -0.080 0.000 1.085 2210 I CA 1.039 62.293 61.300 -0.078 0.000 1.347 2210 I CB -1.681 36.289 38.000 -0.049 0.000 1.044 2210 I HN 0.564 nan 8.210 nan 0.000 0.408 2211 A N 0.992 123.772 122.820 -0.067 0.000 1.908 2211 A HA -0.182 4.138 4.320 -0.001 0.000 0.218 2211 A C 2.422 179.965 177.584 -0.069 0.000 1.181 2211 A CA 1.465 53.478 52.037 -0.041 0.000 0.627 2211 A CB -0.888 18.105 19.000 -0.011 0.000 0.818 2211 A HN 0.428 nan 8.150 nan 0.000 0.445 2212 L N -0.761 120.355 121.223 -0.179 0.000 2.046 2212 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 2212 L C 2.389 179.054 176.870 -0.342 0.000 1.077 2212 L CA 0.944 55.563 54.840 -0.368 0.000 0.747 2212 L CB -0.578 41.025 42.059 -0.759 0.000 0.896 2212 L HN 0.358 nan 8.230 nan 0.000 0.432 2213 L N -0.214 120.860 121.223 -0.249 0.000 2.353 2213 L HA -0.185 4.154 4.340 -0.001 0.000 0.220 2213 L C 1.902 178.817 176.870 0.075 0.000 1.133 2213 L CA 1.191 56.018 54.840 -0.021 0.000 0.798 2213 L CB -0.286 41.752 42.059 -0.036 0.000 0.922 2213 L HN 0.282 nan 8.230 nan 0.000 0.445 2214 K N -1.308 119.095 120.400 0.005 0.000 2.358 2214 K HA 0.076 4.395 4.320 -0.001 0.000 0.200 2214 K C 0.024 176.631 176.600 0.012 0.000 1.030 2214 K CA -0.221 56.054 56.287 -0.019 0.000 1.097 2214 K CB 0.411 32.893 32.500 -0.030 0.000 0.862 2214 K HN -0.001 nan 8.250 nan 0.000 0.534 2215 D N 2.480 122.936 120.400 0.093 0.000 2.316 2215 D HA 0.048 4.687 4.640 -0.001 0.000 0.245 2215 D C -1.466 174.916 176.300 0.136 0.000 1.171 2215 D CA -2.220 51.861 54.000 0.136 0.000 0.856 2215 D CB 1.532 42.482 40.800 0.250 0.000 1.090 2215 D HN -0.050 nan 8.370 nan 0.000 0.476 2216 P HA -0.077 nan 4.420 nan 0.000 0.226 2216 P C 0.812 177.983 177.300 -0.215 0.000 1.153 2216 P CA 0.552 63.501 63.100 -0.251 0.000 0.777 2216 P CB 0.057 31.442 31.700 -0.524 0.000 0.794 2217 F N -2.171 117.845 119.950 0.110 0.000 2.727 2217 F HA 0.204 4.731 4.527 -0.001 0.000 0.302 2217 F C 1.626 177.562 175.800 0.228 0.000 1.097 2217 F CA -1.390 56.650 58.000 0.068 0.000 1.330 2217 F CB -1.248 37.667 39.000 -0.141 0.000 1.084 2217 F HN -0.141 nan 8.300 nan 0.000 0.578 2221 L N 0.543 121.671 121.223 -0.158 0.000 2.455 2221 L HA 0.297 4.637 4.340 -0.001 0.000 0.272 2221 L C -0.111 176.756 176.870 -0.005 0.000 1.174 2221 L CA -0.088 54.719 54.840 -0.055 0.000 0.869 2221 L CB -0.023 42.042 42.059 0.011 0.000 1.130 2221 L HN 0.470 nan 8.230 nan 0.000 0.474 2222 Y N 4.057 124.423 120.300 0.110 0.000 2.570 2222 Y HA 0.278 4.827 4.550 -0.001 0.000 0.336 2222 Y C 0.588 176.501 175.900 0.022 0.000 1.284 2222 Y CA -0.182 57.961 58.100 0.072 0.000 1.761 2222 Y CB -0.237 38.248 38.460 0.042 0.000 1.724 2222 Y HN 0.596 nan 8.280 nan 0.000 0.455 2223 Q N -0.332 119.533 119.800 0.109 0.000 2.575 2223 Q HA 0.469 4.809 4.340 -0.001 0.000 0.290 2223 Q C -1.345 174.665 176.000 0.016 0.000 0.963 2223 Q CA -1.446 54.394 55.803 0.061 0.000 0.783 2223 Q CB 1.501 30.274 28.738 0.058 0.000 1.467 2223 Q HN -0.014 nan 8.270 nan 0.000 0.402 2224 K N 1.122 121.524 120.400 0.003 0.000 2.180 2224 K HA 0.298 4.618 4.320 -0.001 0.000 0.251 2224 K C -0.169 176.420 176.600 -0.017 0.000 1.014 2224 K CA -0.350 55.925 56.287 -0.020 0.000 0.913 2224 K CB 0.439 32.928 32.500 -0.019 0.000 1.008 2224 K HN 0.563 nan 8.250 nan 0.000 0.490 2225 R N 1.542 122.019 120.500 -0.038 0.000 2.570 2225 R HA -0.044 4.295 4.340 -0.001 0.000 0.277 2225 R C 0.233 176.508 176.300 -0.041 0.000 1.039 2225 R CA 0.090 56.159 56.100 -0.051 0.000 1.065 2225 R CB 0.260 30.502 30.300 -0.097 0.000 0.964 2225 R HN 0.463 nan 8.270 nan 0.000 0.428 2226 D N 2.869 123.260 120.400 -0.015 0.000 2.352 2226 D HA 0.022 4.661 4.640 -0.001 0.000 0.245 2226 D C 0.142 176.430 176.300 -0.019 0.000 1.224 2226 D CA 0.104 54.119 54.000 0.026 0.000 0.879 2226 D CB 0.631 41.489 40.800 0.097 0.000 1.057 2226 D HN 0.418 nan 8.370 nan 0.000 0.491 2227 R N 2.009 122.497 120.500 -0.019 0.000 2.507 2227 R HA 0.097 4.436 4.340 -0.001 0.000 0.298 2227 R C 0.961 177.308 176.300 0.079 0.000 0.999 2227 R CA -0.240 55.840 56.100 -0.033 0.000 1.082 2227 R CB 0.607 30.877 30.300 -0.051 0.000 1.246 2227 R HN 0.457 nan 8.270 nan 0.000 0.553 2228 T N -2.355 112.267 114.554 0.114 0.000 2.793 2228 T HA -0.020 4.329 4.350 -0.001 0.000 0.299 2228 T C 1.222 176.037 174.700 0.190 0.000 1.038 2228 T CA -0.496 61.680 62.100 0.126 0.000 0.948 2228 T CB 1.019 69.947 68.868 0.100 0.000 1.231 2228 T HN -0.058 nan 8.240 nan 0.000 0.538 2229 Q N -0.251 119.642 119.800 0.155 0.000 2.364 2229 Q HA -0.073 4.266 4.340 -0.001 0.000 0.207 2229 Q C 2.281 178.384 176.000 0.172 0.000 0.970 2229 Q CA 1.519 57.421 55.803 0.165 0.000 0.888 2229 Q CB -0.592 28.216 28.738 0.116 0.000 0.951 2229 Q HN 0.768 nan 8.270 nan 0.000 0.469 2230 Q N -1.326 118.570 119.800 0.161 0.000 2.170 2230 Q HA -0.207 4.133 4.340 -0.001 0.000 0.203 2230 Q C 1.444 177.556 176.000 0.187 0.000 0.976 2230 Q CA 1.408 57.298 55.803 0.145 0.000 0.858 2230 Q CB -0.234 28.579 28.738 0.124 0.000 0.907 2230 Q HN 0.550 nan 8.270 nan 0.000 0.433 2231 Y N 2.058 122.434 120.300 0.127 0.000 2.114 2231 Y HA -0.248 4.301 4.550 -0.001 0.000 0.284 2231 Y C 1.388 177.415 175.900 0.212 0.000 1.143 2231 Y CA 2.084 60.282 58.100 0.163 0.000 1.135 2231 Y CB -0.258 38.317 38.460 0.192 0.000 0.980 2231 Y HN 0.092 nan 8.280 nan 0.000 0.499 2232 D N 0.147 120.656 120.400 0.182 0.000 2.123 2232 D HA -0.181 4.459 4.640 -0.001 0.000 0.196 2232 D C 1.739 178.082 176.300 0.072 0.000 0.992 2232 D CA 1.767 55.861 54.000 0.158 0.000 0.833 2232 D CB -0.370 40.591 40.800 0.268 0.000 0.954 2232 D HN 0.408 nan 8.370 nan 0.000 0.455 2233 D N -0.167 120.284 120.400 0.086 0.000 2.117 2233 D HA -0.116 4.523 4.640 -0.001 0.000 0.197 2233 D C 2.055 178.371 176.300 0.027 0.000 0.987 2233 D CA 0.346 54.386 54.000 0.067 0.000 0.829 2233 D CB -0.351 40.490 40.800 0.069 0.000 0.961 2233 D HN 0.129 nan 8.370 nan 0.000 0.460 2234 L N 0.844 122.066 121.223 -0.001 0.000 1.994 2234 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 2234 L C 2.073 178.909 176.870 -0.057 0.000 1.071 2234 L CA 1.312 56.140 54.840 -0.021 0.000 0.745 2234 L CB -0.430 41.618 42.059 -0.019 0.000 0.892 2234 L HN -0.039 nan 8.230 nan 0.000 0.431 2235 I N -0.244 120.219 120.570 -0.178 0.000 2.264 2235 I HA -0.312 3.858 4.170 -0.001 0.000 0.248 2235 I C 2.357 178.427 176.117 -0.079 0.000 1.111 2235 I CA 1.620 62.791 61.300 -0.215 0.000 1.382 2235 I CB -1.408 36.235 38.000 -0.596 0.000 1.060 2235 I HN 0.488 nan 8.210 nan 0.000 0.418 2236 D N 0.648 121.049 120.400 0.001 0.000 2.117 2236 D HA -0.223 4.417 4.640 -0.001 0.000 0.198 2236 D C 2.040 178.332 176.300 -0.015 0.000 0.982 2236 D CA 1.032 55.073 54.000 0.069 0.000 0.828 2236 D CB 0.235 41.135 40.800 0.167 0.000 0.967 2236 D HN 0.412 nan 8.370 nan 0.000 0.464 2237 E N -0.797 119.405 120.200 0.004 0.000 2.110 2237 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 2237 E C 0.985 177.566 176.600 -0.031 0.000 0.988 2237 E CA 0.115 56.511 56.400 -0.007 0.000 0.804 2237 E CB -0.055 29.651 29.700 0.010 0.000 0.745 2237 E HN 0.133 nan 8.360 nan 0.000 0.458 2241 A N 2.275 124.970 122.820 -0.208 0.000 1.883 2241 A HA -0.104 4.216 4.320 -0.001 0.000 0.217 2241 A C 1.915 179.367 177.584 -0.221 0.000 1.186 2241 A CA 1.546 53.482 52.037 -0.169 0.000 0.624 2241 A CB -0.490 18.443 19.000 -0.112 0.000 0.822 2241 A HN 0.313 nan 8.150 nan 0.000 0.444 2242 I N 0.800 121.143 120.570 -0.379 0.000 2.163 2242 I HA -0.221 3.948 4.170 -0.001 0.000 0.243 2242 I C 2.851 178.867 176.117 -0.169 0.000 1.085 2242 I CA 2.368 63.477 61.300 -0.318 0.000 1.347 2242 I CB -1.771 35.845 38.000 -0.640 0.000 1.044 2242 I HN 0.583 nan 8.210 nan 0.000 0.408 2243 T N -2.030 112.396 114.554 -0.214 0.000 2.867 2243 T HA -0.129 4.220 4.350 -0.001 0.000 0.268 2243 T C 1.561 176.238 174.700 -0.038 0.000 1.057 2243 T CA 1.104 63.163 62.100 -0.068 0.000 1.136 2243 T CB -0.338 68.544 68.868 0.023 0.000 0.874 2243 T HN 0.141 nan 8.240 nan 0.000 0.466 2244 D N 1.227 121.582 120.400 -0.074 0.000 2.144 2244 D HA -0.048 4.592 4.640 -0.001 0.000 0.199 2244 D C 2.251 178.487 176.300 -0.106 0.000 0.984 2244 D CA 0.983 54.943 54.000 -0.067 0.000 0.834 2244 D CB -0.253 40.506 40.800 -0.069 0.000 0.955 2244 D HN 0.479 nan 8.370 nan 0.000 0.465 2245 R N -0.926 119.459 120.500 -0.193 0.000 2.080 2245 R HA -0.035 4.305 4.340 -0.001 0.000 0.222 2245 R C 1.486 177.552 176.300 -0.391 0.000 1.107 2245 R CA 0.787 56.673 56.100 -0.358 0.000 0.980 2245 R CB -0.017 29.922 30.300 -0.602 0.000 0.879 2245 R HN 0.235 nan 8.270 nan 0.000 0.439 2246 Y N -0.601 119.697 120.300 -0.004 0.000 2.449 2246 Y HA 0.371 4.920 4.550 -0.001 0.000 0.254 2246 Y C 0.557 176.484 175.900 0.045 0.000 1.140 2246 Y CA 0.116 58.237 58.100 0.034 0.000 1.272 2246 Y CB 1.547 40.005 38.460 -0.003 0.000 1.114 2246 Y HN 0.341 nan 8.280 nan 0.000 0.525 2247 G N 0.328 109.202 108.800 0.122 0.000 2.525 2247 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.685 2247 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.685 2247 G C -0.249 174.695 174.900 0.073 0.000 1.285 2247 G CA -0.711 44.446 45.100 0.096 0.000 0.849 2247 G HN 0.064 nan 8.290 nan 0.000 0.653 2248 R N 0.767 121.300 120.500 0.057 0.000 2.152 2248 R HA -0.050 4.289 4.340 -0.001 0.000 0.232 2248 R C 2.184 178.514 176.300 0.050 0.000 1.117 2248 R CA 2.247 58.385 56.100 0.064 0.000 0.981 2248 R CB -0.148 30.157 30.300 0.008 0.000 0.870 2248 R HN 0.674 nan 8.270 nan 0.000 0.451 2249 N N -1.382 117.333 118.700 0.025 0.000 2.276 2249 N HA -0.004 4.735 4.740 -0.001 0.000 0.212 2249 N C -0.784 174.749 175.510 0.038 0.000 1.127 2249 N CA -0.036 53.020 53.050 0.009 0.000 0.834 2249 N CB -0.089 38.395 38.487 -0.004 0.000 1.014 2249 N HN -0.154 nan 8.380 nan 0.000 0.491 2250 T N 1.675 116.253 114.554 0.040 0.000 2.829 2250 T HA 0.019 4.368 4.350 -0.001 0.000 0.293 2250 T C 0.347 175.057 174.700 0.016 0.000 0.970 2250 T CA -0.407 61.699 62.100 0.010 0.000 1.168 2250 T CB 0.560 69.419 68.868 -0.015 0.000 0.911 2250 T HN 0.266 nan 8.240 nan 0.000 0.535 2251 L N 5.412 126.660 121.223 0.040 0.000 2.477 2251 L HA 0.317 4.656 4.340 -0.001 0.000 0.272 2251 L C -0.473 176.435 176.870 0.063 0.000 1.157 2251 L CA 0.103 55.012 54.840 0.113 0.000 0.889 2251 L CB 0.071 42.240 42.059 0.184 0.000 1.158 2251 L HN 0.648 nan 8.230 nan 0.000 0.473 2252 I N 5.655 126.270 120.570 0.075 0.000 2.382 2252 I HA 0.225 4.394 4.170 -0.001 0.000 0.285 2252 I C -0.214 175.880 176.117 -0.039 0.000 1.007 2252 I CA -0.341 60.936 61.300 -0.037 0.000 1.142 2252 I CB 1.718 39.655 38.000 -0.106 0.000 1.289 2252 I HN 0.590 nan 8.210 nan 0.000 0.453 2253 Q N 6.501 126.190 119.800 -0.185 0.000 2.368 2253 Q HA 0.406 4.746 4.340 -0.001 0.000 0.256 2253 Q C -1.380 174.426 176.000 -0.323 0.000 0.980 2253 Q CA -0.652 54.888 55.803 -0.439 0.000 0.887 2253 Q CB 0.946 29.433 28.738 -0.417 0.000 1.221 2253 Q HN 0.422 nan 8.270 nan 0.000 0.458 2254 F N 2.664 122.379 119.950 -0.393 0.000 2.443 2254 F HA 0.268 4.794 4.527 -0.001 0.000 0.353 2254 F C 0.401 176.113 175.800 -0.145 0.000 1.101 2254 F CA -0.060 57.794 58.000 -0.243 0.000 1.226 2254 F CB 1.178 39.942 39.000 -0.394 0.000 1.140 2254 F HN 0.564 nan 8.300 nan 0.000 0.557 2255 E N 1.508 121.826 120.200 0.197 0.000 2.275 2255 E HA 0.312 4.661 4.350 -0.001 0.000 0.270 2255 E C -1.109 175.598 176.600 0.178 0.000 0.882 2255 E CA -0.547 55.913 56.400 0.099 0.000 0.758 2255 E CB 0.976 30.639 29.700 -0.061 0.000 1.195 2255 E HN 0.487 nan 8.360 nan 0.000 0.419 2256 D N 2.169 122.638 120.400 0.116 0.000 2.751 2256 D HA -0.227 4.412 4.640 -0.001 0.000 0.233 2256 D C -0.714 175.633 176.300 0.079 0.000 1.149 2256 D CA 0.912 54.949 54.000 0.063 0.000 0.682 2256 D CB -1.322 39.464 40.800 -0.024 0.000 1.068 2256 D HN 0.235 nan 8.370 nan 0.000 0.429 2257 F N 0.544 120.515 119.950 0.034 0.000 2.378 2257 F HA 0.511 5.037 4.527 -0.001 0.000 0.319 2257 F C 2.018 177.843 175.800 0.042 0.000 1.155 2257 F CA 0.268 58.324 58.000 0.094 0.000 1.157 2257 F CB 0.509 39.638 39.000 0.213 0.000 1.252 2257 F HN -0.049 nan 8.300 nan 0.000 0.550 2258 G N 0.885 109.814 108.800 0.215 0.000 2.636 2258 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.246 2258 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.246 2258 G C 0.885 175.856 174.900 0.119 0.000 1.216 2258 G CA -0.390 44.782 45.100 0.120 0.000 0.854 2258 G HN 0.710 nan 8.290 nan 0.000 0.572 2259 N N -0.278 118.481 118.700 0.098 0.000 2.069 2259 N HA -0.235 4.504 4.740 -0.001 0.000 0.191 2259 N C 1.843 177.457 175.510 0.173 0.000 1.031 2259 N CA 1.897 55.021 53.050 0.123 0.000 0.852 2259 N CB -0.330 38.239 38.487 0.136 0.000 1.018 2259 N HN 0.707 nan 8.380 nan 0.000 0.423 2260 H N 0.596 119.699 119.070 0.054 0.000 2.353 2260 H HA 0.055 4.611 4.556 -0.001 0.000 0.300 2260 H C 1.559 176.861 175.328 -0.045 0.000 1.090 2260 H CA 2.299 58.361 56.048 0.025 0.000 1.327 2260 H CB -0.354 29.408 29.762 0.001 0.000 1.383 2260 H HN 0.445 nan 8.280 nan 0.000 0.508 2261 N N -0.323 118.288 118.700 -0.147 0.000 2.300 2261 N HA -0.009 4.730 4.740 -0.001 0.000 0.179 2261 N C 2.030 177.285 175.510 -0.426 0.000 1.016 2261 N CA 0.566 53.364 53.050 -0.419 0.000 0.876 2261 N CB -0.008 38.511 38.487 0.053 0.000 0.979 2261 N HN 0.389 nan 8.380 nan 0.000 0.432 2262 A N 1.250 123.967 122.820 -0.171 0.000 1.859 2262 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 2262 A C 1.782 179.087 177.584 -0.465 0.000 1.198 2262 A CA 1.438 53.298 52.037 -0.295 0.000 0.629 2262 A CB -1.053 17.747 19.000 -0.333 0.000 0.830 2262 A HN 0.242 nan 8.150 nan 0.000 0.446 2263 F N -0.922 118.809 119.950 -0.365 0.000 2.186 2263 F HA -0.046 4.481 4.527 -0.001 0.000 0.299 2263 F C 2.497 178.098 175.800 -0.332 0.000 1.090 2263 F CA 1.528 59.266 58.000 -0.437 0.000 1.307 2263 F CB -0.278 38.232 39.000 -0.815 0.000 1.019 2263 F HN 0.098 nan 8.300 nan 0.000 0.489 2264 R N 0.022 120.379 120.500 -0.240 0.000 2.080 2264 R HA -0.180 4.159 4.340 -0.001 0.000 0.236 2264 R C 2.187 178.294 176.300 -0.321 0.000 1.137 2264 R CA 2.077 57.969 56.100 -0.346 0.000 0.943 2264 R CB -0.607 29.292 30.300 -0.669 0.000 0.846 2264 R HN 0.253 nan 8.270 nan 0.000 0.431 2265 F N -0.376 119.393 119.950 -0.302 0.000 2.206 2265 F HA -0.160 4.366 4.527 -0.001 0.000 0.298 2265 F C 2.158 177.691 175.800 -0.445 0.000 1.090 2265 F CA -0.063 57.684 58.000 -0.422 0.000 1.323 2265 F CB -0.211 38.454 39.000 -0.558 0.000 1.028 2265 F HN 0.121 nan 8.300 nan 0.000 0.492 2266 L N 0.979 122.034 121.223 -0.280 0.000 2.012 2266 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 2266 L C 2.442 179.288 176.870 -0.040 0.000 1.073 2266 L CA 1.788 56.511 54.840 -0.194 0.000 0.748 2266 L CB -0.769 41.179 42.059 -0.185 0.000 0.891 2266 L HN -0.002 nan 8.230 nan 0.000 0.431 2267 R N -0.494 119.994 120.500 -0.021 0.000 2.075 2267 R HA -0.199 4.141 4.340 -0.001 0.000 0.232 2267 R C 2.490 178.764 176.300 -0.044 0.000 1.126 2267 R CA 1.761 57.874 56.100 0.022 0.000 0.963 2267 R CB -0.244 30.103 30.300 0.078 0.000 0.858 2267 R HN 0.396 nan 8.270 nan 0.000 0.435 2268 K N -0.735 119.575 120.400 -0.150 0.000 2.097 2268 K HA -0.169 4.150 4.320 -0.001 0.000 0.206 2268 K C 1.089 177.517 176.600 -0.287 0.000 1.049 2268 K CA 1.531 57.642 56.287 -0.295 0.000 0.933 2268 K CB 0.061 32.254 32.500 -0.513 0.000 0.717 2268 K HN 0.333 nan 8.250 nan 0.000 0.442 2269 Y N -0.083 120.280 120.300 0.105 0.000 2.462 2269 Y HA 0.107 4.657 4.550 -0.001 0.000 0.253 2269 Y C 2.009 178.027 175.900 0.196 0.000 1.095 2269 Y CA -0.275 57.946 58.100 0.201 0.000 1.283 2269 Y CB 0.337 38.965 38.460 0.280 0.000 1.138 2269 Y HN 0.036 nan 8.280 nan 0.000 0.522 2270 R N 0.690 121.340 120.500 0.249 0.000 2.127 2270 R HA -0.150 4.189 4.340 -0.001 0.000 0.238 2270 R C 0.863 177.262 176.300 0.165 0.000 1.134 2270 R CA 1.793 58.035 56.100 0.237 0.000 0.975 2270 R CB -0.306 30.099 30.300 0.175 0.000 0.865 2270 R HN 0.209 nan 8.270 nan 0.000 0.447 2271 E N 0.676 120.877 120.200 0.001 0.000 2.447 2271 E HA -0.011 4.338 4.350 -0.001 0.000 0.195 2271 E C 1.277 177.659 176.600 -0.363 0.000 1.028 2271 E CA 0.548 56.756 56.400 -0.321 0.000 0.876 2271 E CB 0.339 29.915 29.700 -0.207 0.000 0.885 2271 E HN 0.468 nan 8.360 nan 0.000 0.500 2272 K N -0.677 119.712 120.400 -0.019 0.000 2.276 2272 K HA 0.063 4.383 4.320 -0.001 0.000 0.198 2272 K C 0.019 176.510 176.600 -0.181 0.000 1.052 2272 K CA 0.438 56.658 56.287 -0.111 0.000 0.984 2272 K CB 0.531 32.914 32.500 -0.197 0.000 0.836 2272 K HN -0.076 nan 8.250 nan 0.000 0.490 2273 Y N -1.640 118.861 120.300 0.335 0.000 2.698 2273 Y HA 0.297 4.847 4.550 -0.001 0.000 0.332 2273 Y C -0.637 175.385 175.900 0.204 0.000 1.119 2273 Y CA -1.377 56.837 58.100 0.189 0.000 1.109 2273 Y CB 1.218 39.728 38.460 0.083 0.000 1.308 2273 Y HN -0.183 nan 8.280 nan 0.000 0.499 2274 C N 2.038 121.497 119.300 0.265 0.000 2.138 2274 C HA 0.630 5.090 4.460 -0.001 0.000 0.398 2274 C C -0.083 175.076 174.990 0.281 0.000 1.029 2274 C CA 0.130 59.263 59.018 0.190 0.000 1.426 2274 C CB -2.160 25.632 27.740 0.086 0.000 1.652 2274 C HN 0.670 nan 8.230 nan 0.000 0.486 2275 T N 4.137 118.911 114.554 0.367 0.000 2.896 2275 T HA 0.826 5.176 4.350 -0.001 0.000 0.297 2275 T C -1.019 173.973 174.700 0.487 0.000 1.108 2275 T CA -0.350 61.985 62.100 0.391 0.000 1.004 2275 T CB 1.271 70.363 68.868 0.372 0.000 1.159 2275 T HN 0.842 nan 8.240 nan 0.000 0.499 2276 F N 1.513 121.627 119.950 0.274 0.000 2.686 2276 F HA 0.645 5.172 4.527 -0.001 0.000 0.311 2276 F C -1.339 174.562 175.800 0.169 0.000 1.128 2276 F CA -1.177 56.959 58.000 0.226 0.000 0.946 2276 F CB 1.397 40.629 39.000 0.386 0.000 1.336 2276 F HN 0.462 nan 8.300 nan 0.000 0.457 2277 N N 1.993 120.716 118.700 0.040 0.000 2.476 2277 N HA 0.134 4.873 4.740 -0.001 0.000 0.257 2277 N C -0.143 175.359 175.510 -0.013 0.000 0.970 2277 N CA -0.124 52.849 53.050 -0.128 0.000 0.938 2277 N CB 1.530 39.898 38.487 -0.199 0.000 1.144 2277 N HN 0.958 nan 8.380 nan 0.000 0.500 2278 D N 2.723 123.071 120.400 -0.087 0.000 2.123 2278 D HA -0.168 4.472 4.640 -0.001 0.000 0.196 2278 D C 0.773 177.136 176.300 0.105 0.000 0.992 2278 D CA 1.496 55.594 54.000 0.163 0.000 0.833 2278 D CB 0.361 41.172 40.800 0.018 0.000 0.954 2278 D HN 0.561 nan 8.370 nan 0.000 0.455 2279 D N -0.452 119.954 120.400 0.010 0.000 2.144 2279 D HA -0.110 4.530 4.640 -0.001 0.000 0.199 2279 D C 2.259 178.526 176.300 -0.056 0.000 0.984 2279 D CA 0.722 54.717 54.000 -0.009 0.000 0.834 2279 D CB 0.121 40.897 40.800 -0.039 0.000 0.955 2279 D HN 0.394 nan 8.370 nan 0.000 0.465 2280 I N 0.523 121.009 120.570 -0.141 0.000 2.270 2280 I HA -0.189 3.980 4.170 -0.001 0.000 0.239 2280 I C 2.378 178.408 176.117 -0.146 0.000 1.080 2280 I CA 0.815 62.001 61.300 -0.189 0.000 1.383 2280 I CB -0.122 37.663 38.000 -0.358 0.000 1.097 2280 I HN -0.150 nan 8.210 nan 0.000 0.420 2281 Q N 0.550 120.209 119.800 -0.235 0.000 2.204 2281 Q HA 0.032 4.371 4.340 -0.001 0.000 0.198 2281 Q C 2.277 177.998 176.000 -0.465 0.000 0.946 2281 Q CA 1.177 56.634 55.803 -0.576 0.000 0.859 2281 Q CB -0.205 27.785 28.738 -1.247 0.000 0.946 2281 Q HN 0.560 nan 8.270 nan 0.000 0.474 2282 G N 0.412 109.184 108.800 -0.048 0.000 2.403 2282 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.216 2282 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.216 2282 G C 1.375 176.411 174.900 0.228 0.000 1.154 2282 G CA 1.236 46.500 45.100 0.274 0.000 0.784 2282 G HN 0.243 nan 8.290 nan 0.000 0.538 2283 T N 1.768 116.419 114.554 0.161 0.000 2.821 2283 T HA 0.060 4.410 4.350 -0.001 0.000 0.267 2283 T C 2.801 177.597 174.700 0.161 0.000 1.046 2283 T CA 1.305 63.502 62.100 0.161 0.000 1.139 2283 T CB -0.309 68.633 68.868 0.123 0.000 0.871 2283 T HN 0.354 nan 8.240 nan 0.000 0.454 2284 A N 1.784 124.668 122.820 0.107 0.000 1.883 2284 A HA 0.081 4.400 4.320 -0.001 0.000 0.217 2284 A C 2.692 180.379 177.584 0.172 0.000 1.186 2284 A CA 1.979 54.089 52.037 0.123 0.000 0.624 2284 A CB -1.260 17.769 19.000 0.048 0.000 0.822 2284 A HN 0.519 nan 8.150 nan 0.000 0.444 2285 A N -0.965 121.969 122.820 0.191 0.000 1.902 2285 A HA -0.017 4.302 4.320 -0.001 0.000 0.217 2285 A C 2.362 180.081 177.584 0.226 0.000 1.181 2285 A CA 1.854 54.028 52.037 0.228 0.000 0.623 2285 A CB -1.096 18.090 19.000 0.310 0.000 0.818 2285 A HN 0.786 nan 8.150 nan 0.000 0.443 2286 V N -0.358 119.699 119.914 0.238 0.000 2.358 2286 V HA -0.102 4.018 4.120 -0.001 0.000 0.246 2286 V C 2.784 179.088 176.094 0.350 0.000 1.047 2286 V CA 2.150 64.607 62.300 0.261 0.000 1.035 2286 V CB -0.675 31.253 31.823 0.176 0.000 0.658 2286 V HN 0.600 nan 8.190 nan 0.000 0.452 2287 A N -0.116 122.892 122.820 0.315 0.000 1.877 2287 A HA -0.184 4.135 4.320 -0.001 0.000 0.216 2287 A C 2.138 179.941 177.584 0.366 0.000 1.186 2287 A CA 2.106 54.389 52.037 0.410 0.000 0.620 2287 A CB -0.831 18.388 19.000 0.366 0.000 0.822 2287 A HN 0.561 nan 8.150 nan 0.000 0.443 2288 L N -0.019 121.356 121.223 0.254 0.000 2.042 2288 L HA -0.135 4.204 4.340 -0.001 0.000 0.210 2288 L C 2.629 179.592 176.870 0.154 0.000 1.076 2288 L CA 2.342 57.292 54.840 0.182 0.000 0.749 2288 L CB -0.823 41.327 42.059 0.152 0.000 0.893 2288 L HN 0.358 nan 8.230 nan 0.000 0.432 2289 A N -0.647 122.275 122.820 0.170 0.000 1.978 2289 A HA -0.082 4.237 4.320 -0.001 0.000 0.220 2289 A C 2.335 179.902 177.584 -0.028 0.000 1.170 2289 A CA 1.547 53.637 52.037 0.089 0.000 0.636 2289 A CB -1.522 17.559 19.000 0.135 0.000 0.810 2289 A HN 0.554 nan 8.150 nan 0.000 0.448 2290 G N -0.374 108.462 108.800 0.059 0.000 2.402 2290 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.216 2290 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.216 2290 G C 1.352 176.349 174.900 0.162 0.000 1.162 2290 G CA 1.094 46.163 45.100 -0.052 0.000 0.777 2290 G HN 0.365 nan 8.290 nan 0.000 0.539 2291 L N 0.004 121.331 121.223 0.172 0.000 2.083 2291 L HA 0.045 4.384 4.340 -0.001 0.000 0.209 2291 L C 2.702 179.598 176.870 0.044 0.000 1.083 2291 L CA 0.805 55.673 54.840 0.047 0.000 0.752 2291 L CB -0.746 41.321 42.059 0.012 0.000 0.899 2291 L HN 0.081 nan 8.230 nan 0.000 0.433 2292 L N -0.595 120.647 121.223 0.032 0.000 2.046 2292 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 2292 L C 2.633 179.502 176.870 -0.001 0.000 1.077 2292 L CA 1.995 56.844 54.840 0.015 0.000 0.747 2292 L CB -1.489 40.575 42.059 0.009 0.000 0.896 2292 L HN 0.240 nan 8.230 nan 0.000 0.432 2293 A N -0.779 122.017 122.820 -0.039 0.000 1.902 2293 A HA -0.117 4.203 4.320 -0.001 0.000 0.217 2293 A C 2.509 180.092 177.584 -0.003 0.000 1.181 2293 A CA 1.684 53.689 52.037 -0.053 0.000 0.623 2293 A CB -0.896 18.012 19.000 -0.152 0.000 0.818 2293 A HN 0.381 nan 8.150 nan 0.000 0.443 2294 A N -0.789 122.046 122.820 0.025 0.000 1.883 2294 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 2294 A C 2.134 179.748 177.584 0.050 0.000 1.186 2294 A CA 2.171 54.239 52.037 0.052 0.000 0.624 2294 A CB -0.610 18.425 19.000 0.057 0.000 0.822 2294 A HN 0.531 nan 8.150 nan 0.000 0.444 2295 Q N 0.129 119.967 119.800 0.062 0.000 2.297 2295 Q HA -0.152 4.187 4.340 -0.001 0.000 0.208 2295 Q C 1.792 177.824 176.000 0.053 0.000 0.981 2295 Q CA 1.994 57.846 55.803 0.082 0.000 0.876 2295 Q CB -0.355 28.435 28.738 0.087 0.000 0.921 2295 Q HN 0.711 nan 8.270 nan 0.000 0.446 2296 K N -0.834 119.587 120.400 0.036 0.000 2.097 2296 K HA -0.108 4.211 4.320 -0.001 0.000 0.205 2296 K C 1.971 178.591 176.600 0.034 0.000 1.050 2296 K CA 1.494 57.799 56.287 0.029 0.000 0.938 2296 K CB -0.148 32.363 32.500 0.018 0.000 0.718 2296 K HN 0.332 nan 8.250 nan 0.000 0.442 2297 V N -1.200 118.737 119.914 0.039 0.000 2.599 2297 V HA -0.054 4.065 4.120 -0.001 0.000 0.245 2297 V C 1.828 177.945 176.094 0.038 0.000 1.046 2297 V CA 0.905 63.231 62.300 0.043 0.000 1.065 2297 V CB -0.314 31.543 31.823 0.057 0.000 0.703 2297 V HN 0.142 nan 8.190 nan 0.000 0.464 2298 I N 0.692 121.284 120.570 0.036 0.000 2.206 2298 I HA -0.053 4.117 4.170 -0.001 0.000 0.239 2298 I C 2.073 178.211 176.117 0.035 0.000 1.078 2298 I CA 1.304 62.618 61.300 0.025 0.000 1.367 2298 I CB -0.411 37.592 38.000 0.005 0.000 1.078 2298 I HN 0.468 nan 8.210 nan 0.000 0.413 2299 S N -0.109 115.624 115.700 0.055 0.000 3.127 2299 S HA -0.237 4.232 4.470 -0.001 0.000 0.281 2299 S C 0.602 175.247 174.600 0.075 0.000 1.293 2299 S CA 0.812 59.047 58.200 0.059 0.000 1.156 2299 S CB -1.545 61.679 63.200 0.039 0.000 1.389 2299 S HN 0.531 nan 8.310 nan 0.000 0.672 2300 K N 2.275 122.727 120.400 0.087 0.000 2.436 2300 K HA 0.187 4.506 4.320 -0.001 0.000 0.275 2300 K C -2.701 174.013 176.600 0.190 0.000 0.999 2300 K CA -1.477 54.864 56.287 0.090 0.000 0.980 2300 K CB 0.323 32.823 32.500 -0.001 0.000 0.919 2300 K HN -0.065 nan 8.250 nan 0.000 0.484 2301 P HA -0.116 nan 4.420 nan 0.000 0.261 2301 P C 0.626 178.050 177.300 0.206 0.000 1.183 2301 P CA -0.032 63.139 63.100 0.118 0.000 0.761 2301 P CB 0.360 32.104 31.700 0.073 0.000 0.785 2302 I N 3.280 123.887 120.570 0.061 0.000 2.657 2302 I HA -0.208 3.962 4.170 -0.001 0.000 0.261 2302 I C 1.693 177.860 176.117 0.083 0.000 1.212 2302 I CA 1.888 63.126 61.300 -0.104 0.000 1.453 2302 I CB -0.996 36.871 38.000 -0.223 0.000 1.092 2302 I HN 0.316 nan 8.210 nan 0.000 0.452 2303 S N -0.658 115.097 115.700 0.092 0.000 2.453 2303 S HA -0.086 4.383 4.470 -0.001 0.000 0.231 2303 S C 1.531 176.196 174.600 0.109 0.000 1.005 2303 S CA 0.552 58.801 58.200 0.081 0.000 0.949 2303 S CB -0.321 62.911 63.200 0.053 0.000 0.774 2303 S HN 0.556 nan 8.310 nan 0.000 0.510 2304 E N 0.028 120.318 120.200 0.151 0.000 2.474 2304 E HA 0.089 4.439 4.350 -0.001 0.000 0.194 2304 E C -0.507 176.146 176.600 0.088 0.000 1.041 2304 E CA -0.084 56.373 56.400 0.095 0.000 0.874 2304 E CB 0.059 29.787 29.700 0.047 0.000 0.914 2304 E HN 0.623 nan 8.360 nan 0.000 0.498 2305 H N 1.495 120.576 119.070 0.018 0.000 2.899 2305 H HA 0.159 4.714 4.556 -0.001 0.000 0.303 2305 H C -0.234 175.121 175.328 0.046 0.000 1.042 2305 H CA 0.372 56.430 56.048 0.018 0.000 1.479 2305 H CB 0.454 30.227 29.762 0.019 0.000 1.493 2305 H HN -0.137 nan 8.280 nan 0.000 0.534 2306 K N 3.873 124.333 120.400 0.099 0.000 2.579 2306 K HA 0.379 4.698 4.320 -0.001 0.000 0.250 2306 K C -1.582 175.077 176.600 0.099 0.000 0.952 2306 K CA -0.539 55.829 56.287 0.136 0.000 0.857 2306 K CB 0.484 33.039 32.500 0.092 0.000 1.123 2306 K HN 0.357 nan 8.250 nan 0.000 0.433 2307 I N 4.278 124.948 120.570 0.167 0.000 2.385 2307 I HA 0.387 4.557 4.170 -0.001 0.000 0.294 2307 I C -0.946 175.274 176.117 0.173 0.000 0.988 2307 I CA -0.798 60.545 61.300 0.072 0.000 1.265 2307 I CB 1.511 39.520 38.000 0.016 0.000 1.388 2307 I HN 0.521 nan 8.210 nan 0.000 0.480 2308 L N 6.860 128.118 121.223 0.058 0.000 2.376 2308 L HA 0.602 4.942 4.340 -0.001 0.000 0.275 2308 L C -1.467 175.541 176.870 0.230 0.000 0.987 2308 L CA -0.072 54.904 54.840 0.227 0.000 0.828 2308 L CB 0.886 43.007 42.059 0.102 0.000 1.249 2308 L HN 0.284 nan 8.230 nan 0.000 0.409 2309 F N 4.768 124.937 119.950 0.365 0.000 2.399 2309 F HA 0.517 5.043 4.527 -0.001 0.000 0.334 2309 F C -0.129 175.906 175.800 0.391 0.000 1.097 2309 F CA -0.407 57.781 58.000 0.314 0.000 1.076 2309 F CB 1.702 40.811 39.000 0.181 0.000 1.162 2309 F HN 0.377 nan 8.300 nan 0.000 0.495 2310 L N 3.467 124.908 121.223 0.363 0.000 2.264 2310 L HA 0.785 5.124 4.340 -0.001 0.000 0.287 2310 L C -0.145 176.821 176.870 0.161 0.000 1.039 2310 L CA 0.160 55.036 54.840 0.060 0.000 0.829 2310 L CB 0.263 42.056 42.059 -0.443 0.000 1.211 2310 L HN 0.724 nan 8.230 nan 0.000 0.427 2311 G N 3.669 112.607 108.800 0.230 0.000 2.640 2311 G HA2 0.402 4.361 3.960 -0.001 0.000 0.686 2311 G HA3 0.402 4.361 3.960 -0.001 0.000 0.686 2311 G C -0.592 174.389 174.900 0.135 0.000 1.229 2311 G CA -0.375 44.813 45.100 0.145 0.000 0.796 2311 G HN 1.378 nan 8.290 nan 0.000 0.654 2312 A N 0.625 123.486 122.820 0.068 0.000 2.843 2312 A HA 0.829 5.148 4.320 -0.001 0.000 0.248 2312 A C 0.977 178.563 177.584 0.004 0.000 0.904 2312 A CA 1.021 53.060 52.037 0.002 0.000 1.091 2312 A CB -0.040 18.982 19.000 0.038 0.000 1.208 2312 A HN 2.223 nan 8.150 nan 0.000 0.476 2313 G N -0.613 108.202 108.800 0.026 0.000 2.940 2313 G HA2 0.424 4.383 3.960 -0.001 0.000 0.164 2313 G HA3 0.424 4.383 3.960 -0.001 0.000 0.164 2313 G C 0.579 175.570 174.900 0.153 0.000 1.326 2313 G CA 0.146 45.300 45.100 0.091 0.000 1.020 2313 G HN 0.289 nan 8.290 nan 0.000 0.586 2314 E N -0.219 120.067 120.200 0.145 0.000 2.048 2314 E HA -0.219 4.130 4.350 -0.001 0.000 0.202 2314 E C 2.772 179.367 176.600 -0.009 0.000 1.021 2314 E CA 1.516 57.911 56.400 -0.007 0.000 0.825 2314 E CB -0.237 29.348 29.700 -0.191 0.000 0.756 2314 E HN 0.372 nan 8.360 nan 0.000 0.454 2315 A N 1.248 124.067 122.820 -0.003 0.000 1.898 2315 A HA -0.052 4.267 4.320 -0.001 0.000 0.216 2315 A C 2.383 179.963 177.584 -0.006 0.000 1.181 2315 A CA 1.636 53.684 52.037 0.019 0.000 0.620 2315 A CB -0.679 18.356 19.000 0.057 0.000 0.819 2315 A HN 0.297 nan 8.150 nan 0.000 0.442 2316 A N -0.154 122.614 122.820 -0.087 0.000 1.877 2316 A HA -0.059 4.261 4.320 -0.001 0.000 0.216 2316 A C 2.178 179.385 177.584 -0.628 0.000 1.186 2316 A CA 1.564 53.320 52.037 -0.469 0.000 0.620 2316 A CB -0.661 18.069 19.000 -0.451 0.000 0.822 2316 A HN 0.464 nan 8.150 nan 0.000 0.443 2317 L N -0.782 120.271 121.223 -0.283 0.000 2.093 2317 L HA -0.092 4.247 4.340 -0.001 0.000 0.208 2317 L C 2.825 179.678 176.870 -0.028 0.000 1.085 2317 L CA 1.003 55.739 54.840 -0.175 0.000 0.755 2317 L CB -0.751 41.340 42.059 0.053 0.000 0.904 2317 L HN 0.499 nan 8.230 nan 0.000 0.435 2318 G N 0.281 109.105 108.800 0.040 0.000 2.404 2318 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.215 2318 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.215 2318 G C 1.593 176.517 174.900 0.039 0.000 1.174 2318 G CA 0.599 45.727 45.100 0.047 0.000 0.780 2318 G HN 0.253 nan 8.290 nan 0.000 0.537 2319 I N 1.385 121.975 120.570 0.034 0.000 2.179 2319 I HA -0.164 4.005 4.170 -0.001 0.000 0.242 2319 I C 3.318 179.521 176.117 0.143 0.000 1.088 2319 I CA 0.981 62.368 61.300 0.146 0.000 1.357 2319 I CB -0.254 37.938 38.000 0.321 0.000 1.051 2319 I HN 0.243 nan 8.210 nan 0.000 0.409 2320 A N 1.082 123.859 122.820 -0.072 0.000 1.883 2320 A HA -0.231 4.089 4.320 -0.001 0.000 0.217 2320 A C 2.076 179.725 177.584 0.108 0.000 1.186 2320 A CA 1.999 53.962 52.037 -0.124 0.000 0.624 2320 A CB -0.741 17.689 19.000 -0.949 0.000 0.822 2320 A HN 0.429 nan 8.150 nan 0.000 0.444 2321 N N -0.453 118.330 118.700 0.140 0.000 2.166 2321 N HA -0.126 4.613 4.740 -0.001 0.000 0.186 2321 N C 1.537 177.162 175.510 0.191 0.000 1.019 2321 N CA 1.400 54.602 53.050 0.253 0.000 0.856 2321 N CB -0.417 38.210 38.487 0.232 0.000 0.993 2321 N HN 0.412 nan 8.380 nan 0.000 0.426 2322 L N 1.071 122.387 121.223 0.155 0.000 2.179 2322 L HA 0.129 4.468 4.340 -0.001 0.000 0.208 2322 L C 1.996 178.954 176.870 0.146 0.000 1.096 2322 L CA 0.779 55.706 54.840 0.145 0.000 0.779 2322 L CB -0.226 41.915 42.059 0.137 0.000 0.922 2322 L HN 0.055 nan 8.230 nan 0.000 0.443 2323 I N -1.489 119.180 120.570 0.166 0.000 2.226 2323 I HA -0.217 3.952 4.170 -0.001 0.000 0.245 2323 I C 1.271 177.477 176.117 0.148 0.000 1.100 2323 I CA 0.294 61.688 61.300 0.156 0.000 1.374 2323 I CB -0.265 37.849 38.000 0.191 0.000 1.057 2323 I HN -0.085 nan 8.210 nan 0.000 0.413 2329 E N 1.065 121.286 120.200 0.035 0.000 2.274 2329 E HA -0.096 4.253 4.350 -0.001 0.000 0.194 2329 E C 0.948 177.562 176.600 0.023 0.000 0.996 2329 E CA 1.115 57.535 56.400 0.034 0.000 0.840 2329 E CB 0.138 29.863 29.700 0.042 0.000 0.772 2329 E HN 0.599 nan 8.360 nan 0.000 0.491 2330 N N -0.416 118.293 118.700 0.014 0.000 2.380 2330 N HA 0.119 4.858 4.740 -0.001 0.000 0.255 2330 N C 0.338 175.849 175.510 0.002 0.000 1.158 2330 N CA 0.680 53.732 53.050 0.003 0.000 0.878 2330 N CB 1.422 39.902 38.487 -0.012 0.000 1.138 2330 N HN 0.317 nan 8.380 nan 0.000 0.509 2331 G N 0.316 109.121 108.800 0.008 0.000 3.141 2331 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.205 2331 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.205 2331 G C -0.301 174.604 174.900 0.008 0.000 1.924 2331 G CA -0.632 44.473 45.100 0.007 0.000 1.573 2331 G HN 0.191 nan 8.290 nan 0.000 0.591 2332 L N 2.816 124.044 121.223 0.007 0.000 2.586 2332 L HA 0.357 4.696 4.340 -0.001 0.000 0.307 2332 L C 1.691 178.568 176.870 0.010 0.000 1.274 2332 L CA 1.094 55.939 54.840 0.009 0.000 0.857 2332 L CB 0.070 42.137 42.059 0.013 0.000 1.099 2332 L HN 0.945 nan 8.230 nan 0.000 0.525 2333 S N 0.572 116.276 115.700 0.005 0.000 2.645 2333 S HA 0.197 4.666 4.470 -0.001 0.000 0.266 2333 S C 0.960 175.560 174.600 0.001 0.000 1.258 2333 S CA -0.239 57.962 58.200 0.001 0.000 0.990 2333 S CB 0.836 64.032 63.200 -0.006 0.000 0.967 2333 S HN 0.703 nan 8.310 nan 0.000 0.556 2334 E N 0.214 120.411 120.200 -0.005 0.000 2.058 2334 E HA -0.275 4.074 4.350 -0.001 0.000 0.194 2334 E C 2.137 178.716 176.600 -0.034 0.000 0.997 2334 E CA 1.497 57.890 56.400 -0.012 0.000 0.801 2334 E CB -0.230 29.457 29.700 -0.022 0.000 0.746 2334 E HN 0.827 nan 8.360 nan 0.000 0.450 2335 Q N 0.261 120.034 119.800 -0.046 0.000 2.084 2335 Q HA -0.219 4.121 4.340 -0.001 0.000 0.202 2335 Q C 1.879 177.850 176.000 -0.049 0.000 0.978 2335 Q CA 1.738 57.503 55.803 -0.063 0.000 0.844 2335 Q CB 0.065 28.768 28.738 -0.058 0.000 0.898 2335 Q HN 0.338 nan 8.270 nan 0.000 0.426 2336 E N 0.113 120.296 120.200 -0.027 0.000 2.058 2336 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 2336 E C 1.951 178.552 176.600 0.002 0.000 0.997 2336 E CA 1.046 57.436 56.400 -0.017 0.000 0.801 2336 E CB -0.189 29.509 29.700 -0.004 0.000 0.746 2336 E HN 0.492 nan 8.360 nan 0.000 0.450 2337 A N 1.386 124.219 122.820 0.021 0.000 1.877 2337 A HA -0.265 4.054 4.320 -0.001 0.000 0.216 2337 A C 2.083 179.730 177.584 0.106 0.000 1.186 2337 A CA 1.534 53.610 52.037 0.065 0.000 0.620 2337 A CB -0.555 18.490 19.000 0.074 0.000 0.822 2337 A HN 0.186 nan 8.150 nan 0.000 0.443 2338 Q N -0.826 119.008 119.800 0.057 0.000 2.181 2338 Q HA -0.203 4.136 4.340 -0.001 0.000 0.205 2338 Q C 1.872 177.938 176.000 0.110 0.000 0.980 2338 Q CA 1.643 57.477 55.803 0.053 0.000 0.862 2338 Q CB -0.186 28.392 28.738 -0.267 0.000 0.905 2338 Q HN 0.434 nan 8.270 nan 0.000 0.429 2339 K N 0.894 121.264 120.400 -0.051 0.000 2.362 2339 K HA -0.057 4.262 4.320 -0.001 0.000 0.200 2339 K C 1.146 177.623 176.600 -0.205 0.000 1.046 2339 K CA 0.923 57.011 56.287 -0.331 0.000 0.952 2339 K CB 0.230 32.576 32.500 -0.256 0.000 0.753 2339 K HN 0.062 nan 8.250 nan 0.000 0.466 2340 K N -0.344 120.085 120.400 0.047 0.000 2.404 2340 K HA 0.120 4.440 4.320 -0.001 0.000 0.194 2340 K C -0.526 176.256 176.600 0.303 0.000 1.023 2340 K CA 0.073 56.465 56.287 0.176 0.000 1.094 2340 K CB 0.406 33.004 32.500 0.164 0.000 0.841 2340 K HN -0.034 nan 8.250 nan 0.000 0.523 2341 I N 0.276 121.040 120.570 0.324 0.000 2.406 2341 I HA 0.259 4.428 4.170 -0.001 0.000 0.290 2341 I C -0.705 175.669 176.117 0.427 0.000 0.999 2341 I CA -0.561 61.011 61.300 0.453 0.000 1.124 2341 I CB 0.876 39.175 38.000 0.498 0.000 1.289 2341 I HN -0.046 nan 8.210 nan 0.000 0.441 2345 D N 4.303 124.720 120.400 0.028 0.000 2.539 2345 D HA 0.232 4.871 4.640 -0.001 0.000 0.280 2345 D C 1.023 177.263 176.300 -0.100 0.000 1.208 2345 D CA -0.255 53.766 54.000 0.035 0.000 1.088 2345 D CB 0.553 41.385 40.800 0.053 0.000 1.149 2345 D HN 0.589 nan 8.370 nan 0.000 0.596 2346 K N -0.876 119.436 120.400 -0.146 0.000 2.286 2346 K HA -0.217 4.102 4.320 -0.001 0.000 0.203 2346 K C 1.185 177.509 176.600 -0.461 0.000 1.045 2346 K CA 1.407 57.504 56.287 -0.315 0.000 0.935 2346 K CB -0.640 31.570 32.500 -0.483 0.000 0.737 2346 K HN 0.452 nan 8.250 nan 0.000 0.460 2347 Y N 0.835 121.066 120.300 -0.116 0.000 2.457 2347 Y HA 0.254 4.803 4.550 -0.001 0.000 0.263 2347 Y C 1.215 176.969 175.900 -0.244 0.000 1.164 2347 Y CA 0.110 58.134 58.100 -0.126 0.000 1.274 2347 Y CB 1.200 39.610 38.460 -0.084 0.000 1.097 2347 Y HN 0.403 nan 8.280 nan 0.000 0.523 2348 G N 0.210 108.737 108.800 -0.456 0.000 2.331 2348 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.479 2348 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.479 2348 G C -1.687 172.679 174.900 -0.891 0.000 1.262 2348 G CA -1.106 43.437 45.100 -0.928 0.000 1.029 2348 G HN -0.008 nan 8.290 nan 0.000 0.487 2349 L N 0.560 121.503 121.223 -0.467 0.000 2.453 2349 L HA 0.520 4.859 4.340 -0.001 0.000 0.272 2349 L C 0.836 177.762 176.870 0.093 0.000 1.182 2349 L CA -0.163 54.716 54.840 0.067 0.000 0.858 2349 L CB 0.360 42.600 42.059 0.302 0.000 1.120 2349 L HN 0.462 nan 8.230 nan 0.000 0.474 2350 L N 6.886 128.212 121.223 0.172 0.000 2.342 2350 L HA 0.315 4.655 4.340 -0.001 0.000 0.285 2350 L C -0.310 176.640 176.870 0.133 0.000 1.095 2350 L CA -0.494 54.414 54.840 0.113 0.000 0.843 2350 L CB 0.190 42.301 42.059 0.087 0.000 1.201 2350 L HN 0.535 nan 8.230 nan 0.000 0.445 2351 V N 0.621 120.598 119.914 0.105 0.000 2.823 2351 V HA 0.480 4.599 4.120 -0.001 0.000 0.312 2351 V C -0.130 175.993 176.094 0.049 0.000 1.072 2351 V CA -1.377 60.993 62.300 0.117 0.000 0.937 2351 V CB 1.898 33.824 31.823 0.172 0.000 1.013 2351 V HN 0.581 nan 8.190 nan 0.000 0.430 2352 K N 2.284 122.706 120.400 0.037 0.000 2.484 2352 K HA 0.460 4.779 4.320 -0.001 0.000 0.280 2352 K C 1.188 177.799 176.600 0.019 0.000 1.013 2352 K CA 0.974 57.267 56.287 0.011 0.000 1.029 2352 K CB 0.440 32.947 32.500 0.010 0.000 0.902 2352 K HN 1.639 nan 8.250 nan 0.000 0.481 2353 G N 2.156 110.957 108.800 0.001 0.000 2.176 2353 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.253 2353 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.253 2353 G C 0.046 174.946 174.900 -0.001 0.000 0.979 2353 G CA 0.418 45.518 45.100 0.001 0.000 0.641 2353 G HN 0.719 nan 8.290 nan 0.000 0.530 2354 R N 0.341 120.841 120.500 0.000 0.000 2.641 2354 R HA 0.607 4.946 4.340 -0.001 0.000 0.269 2354 R C 1.510 177.790 176.300 -0.033 0.000 1.074 2354 R CA 0.277 56.374 56.100 -0.006 0.000 1.133 2354 R CB 0.736 31.038 30.300 0.003 0.000 1.029 2354 R HN 0.188 nan 8.270 nan 0.000 0.488 2355 K N 2.274 122.648 120.400 -0.043 0.000 2.002 2355 K HA -0.098 4.221 4.320 -0.001 0.000 0.209 2355 K C 0.441 176.965 176.600 -0.125 0.000 1.048 2355 K CA 1.307 57.551 56.287 -0.072 0.000 0.930 2355 K CB -0.304 32.156 32.500 -0.066 0.000 0.714 2355 K HN 0.737 nan 8.250 nan 0.000 0.438 2356 A N 2.609 125.323 122.820 -0.176 0.000 2.531 2356 A HA 0.031 4.350 4.320 -0.001 0.000 0.236 2356 A C -0.288 177.181 177.584 -0.192 0.000 1.062 2356 A CA -0.114 51.736 52.037 -0.311 0.000 0.760 2356 A CB 0.155 18.909 19.000 -0.410 0.000 0.995 2356 A HN 0.270 nan 8.150 nan 0.000 0.501 2357 K N 0.297 120.575 120.400 -0.204 0.000 2.402 2357 K HA 0.239 4.558 4.320 -0.001 0.000 0.265 2357 K C -0.438 176.122 176.600 -0.066 0.000 0.978 2357 K CA 0.590 56.809 56.287 -0.115 0.000 0.913 2357 K CB 0.226 32.664 32.500 -0.104 0.000 0.954 2357 K HN 0.581 nan 8.250 nan 0.000 0.511 2358 I N 1.994 122.536 120.570 -0.048 0.000 2.563 2358 I HA -0.004 4.165 4.170 -0.001 0.000 0.285 2358 I C -0.527 175.572 176.117 -0.029 0.000 1.123 2358 I CA -0.927 60.355 61.300 -0.030 0.000 1.059 2358 I CB 1.897 39.876 38.000 -0.036 0.000 1.229 2358 I HN 0.621 nan 8.210 nan 0.000 0.442 2359 D N 3.467 123.859 120.400 -0.013 0.000 2.358 2359 D HA 0.064 4.703 4.640 -0.001 0.000 0.244 2359 D C 1.307 177.587 176.300 -0.032 0.000 1.163 2359 D CA -0.362 53.636 54.000 -0.003 0.000 0.945 2359 D CB 0.932 41.753 40.800 0.036 0.000 1.152 2359 D HN 0.464 nan 8.370 nan 0.000 0.451 2360 S N -0.284 115.378 115.700 -0.065 0.000 2.440 2360 S HA -0.258 4.211 4.470 -0.001 0.000 0.238 2360 S C 1.568 176.007 174.600 -0.267 0.000 1.010 2360 S CA 0.684 58.775 58.200 -0.181 0.000 0.972 2360 S CB -0.872 62.175 63.200 -0.255 0.000 0.774 2360 S HN 0.592 nan 8.310 nan 0.000 0.501 2361 Y N 1.664 121.841 120.300 -0.205 0.000 2.365 2361 Y HA 0.177 4.726 4.550 -0.001 0.000 0.293 2361 Y C 2.843 178.688 175.900 -0.092 0.000 1.119 2361 Y CA 0.888 58.847 58.100 -0.235 0.000 1.203 2361 Y CB -0.280 37.840 38.460 -0.568 0.000 1.026 2361 Y HN 0.340 nan 8.280 nan 0.000 0.549 2362 Q N -0.245 119.589 119.800 0.057 0.000 2.269 2362 Q HA -0.144 4.195 4.340 -0.001 0.000 0.201 2362 Q C 2.088 178.111 176.000 0.039 0.000 0.946 2362 Q CA 0.675 56.532 55.803 0.088 0.000 0.877 2362 Q CB -0.009 28.746 28.738 0.029 0.000 0.963 2362 Q HN 0.349 nan 8.270 nan 0.000 0.472 2363 E N 1.356 121.525 120.200 -0.052 0.000 2.086 2363 E HA -0.208 4.141 4.350 -0.001 0.000 0.205 2363 E C -0.858 175.624 176.600 -0.196 0.000 1.027 2363 E CA 1.771 58.102 56.400 -0.115 0.000 0.830 2363 E CB -0.968 28.657 29.700 -0.125 0.000 0.751 2363 E HN 0.228 nan 8.360 nan 0.000 0.456 2364 P HA -0.132 nan 4.420 nan 0.000 0.220 2364 P C 0.553 177.434 177.300 -0.697 0.000 1.144 2364 P CA 1.274 64.071 63.100 -0.504 0.000 0.800 2364 P CB -0.234 31.062 31.700 -0.672 0.000 0.772 2365 F N -2.900 116.893 119.950 -0.262 0.000 2.661 2365 F HA 0.194 4.720 4.527 -0.001 0.000 0.306 2365 F C 0.611 175.908 175.800 -0.839 0.000 1.094 2365 F CA -0.058 57.669 58.000 -0.455 0.000 1.254 2365 F CB -0.327 38.556 39.000 -0.195 0.000 1.040 2365 F HN -0.376 nan 8.300 nan 0.000 0.562 2366 T N 1.971 116.221 114.554 -0.507 0.000 2.762 2366 T HA 0.257 4.606 4.350 -0.001 0.000 0.303 2366 T C -0.130 174.275 174.700 -0.491 0.000 0.977 2366 T CA -0.246 61.617 62.100 -0.396 0.000 0.961 2366 T CB 0.080 68.850 68.868 -0.162 0.000 0.944 2366 T HN 0.095 nan 8.240 nan 0.000 0.481 2367 H N 0.788 119.737 119.070 -0.202 0.000 2.649 2367 H HA 0.474 5.029 4.556 -0.001 0.000 0.337 2367 H C 0.421 175.731 175.328 -0.030 0.000 1.282 2367 H CA -1.074 54.840 56.048 -0.224 0.000 1.333 2367 H CB 0.763 30.184 29.762 -0.567 0.000 1.787 2367 H HN 0.393 nan 8.280 nan 0.000 0.632 2368 S N 0.281 116.078 115.700 0.161 0.000 2.562 2368 S HA 0.269 4.738 4.470 -0.001 0.000 0.281 2368 S C 0.481 175.238 174.600 0.261 0.000 1.333 2368 S CA -0.535 57.760 58.200 0.157 0.000 1.052 2368 S CB 0.458 63.728 63.200 0.118 0.000 0.884 2368 S HN 0.731 nan 8.310 nan 0.000 0.506 2369 A N 4.880 127.825 122.820 0.208 0.000 2.561 2369 A HA 0.328 4.648 4.320 -0.001 0.000 0.234 2369 A C -1.210 176.503 177.584 0.214 0.000 1.055 2369 A CA -0.727 51.445 52.037 0.226 0.000 0.756 2369 A CB -0.599 18.483 19.000 0.138 0.000 0.986 2369 A HN 0.611 nan 8.150 nan 0.000 0.505 2370 P HA 0.117 nan 4.420 nan 0.000 0.289 2370 P C 0.778 178.104 177.300 0.044 0.000 1.299 2370 P CA -0.383 62.769 63.100 0.087 0.000 0.766 2370 P CB 0.482 32.129 31.700 -0.088 0.000 1.226 2371 E N -0.156 120.051 120.200 0.011 0.000 2.136 2371 E HA -0.198 4.151 4.350 -0.001 0.000 0.208 2371 E C 0.310 176.917 176.600 0.010 0.000 1.035 2371 E CA 1.690 58.095 56.400 0.007 0.000 0.838 2371 E CB -0.110 29.582 29.700 -0.013 0.000 0.748 2371 E HN 0.570 nan 8.360 nan 0.000 0.459 2372 S N -1.428 114.272 115.700 0.001 0.000 2.627 2372 S HA 0.538 5.008 4.470 -0.001 0.000 0.283 2372 S C -0.461 174.154 174.600 0.024 0.000 1.127 2372 S CA -1.049 57.158 58.200 0.012 0.000 0.863 2372 S CB 1.477 64.677 63.200 0.001 0.000 1.121 2372 S HN 0.171 nan 8.310 nan 0.000 0.479 2373 I N 2.928 123.523 120.570 0.043 0.000 2.297 2373 I HA 0.326 4.495 4.170 -0.001 0.000 0.291 2373 I C -1.991 174.174 176.117 0.079 0.000 1.033 2373 I CA -2.080 59.262 61.300 0.069 0.000 1.253 2373 I CB 1.220 39.263 38.000 0.072 0.000 1.396 2373 I HN 0.531 nan 8.210 nan 0.000 0.476 2374 P HA 0.079 nan 4.420 nan 0.000 0.268 2374 P C -0.460 176.969 177.300 0.216 0.000 1.204 2374 P CA -0.063 63.113 63.100 0.127 0.000 0.768 2374 P CB 1.581 33.352 31.700 0.118 0.000 0.842 2375 D N 0.426 120.927 120.400 0.167 0.000 2.162 2375 D HA -0.021 4.618 4.640 -0.001 0.000 0.205 2375 D C 1.165 177.643 176.300 0.297 0.000 0.964 2375 D CA 1.414 55.528 54.000 0.189 0.000 0.847 2375 D CB 0.080 40.949 40.800 0.113 0.000 0.988 2375 D HN 0.543 nan 8.370 nan 0.000 0.480 2376 T N -3.191 111.488 114.554 0.210 0.000 2.910 2376 T HA 0.278 4.627 4.350 -0.001 0.000 0.287 2376 T C 0.683 175.284 174.700 -0.165 0.000 1.050 2376 T CA -0.818 61.376 62.100 0.157 0.000 1.011 2376 T CB 1.139 70.055 68.868 0.079 0.000 1.195 2376 T HN -0.140 nan 8.240 nan 0.000 0.540 2377 F N 0.494 120.111 119.950 -0.555 0.000 2.293 2377 F HA 0.105 4.632 4.527 -0.001 0.000 0.300 2377 F C 2.379 177.952 175.800 -0.379 0.000 1.086 2377 F CA 1.538 59.049 58.000 -0.815 0.000 1.375 2377 F CB -0.182 38.485 39.000 -0.554 0.000 1.045 2377 F HN 0.890 nan 8.300 nan 0.000 0.516 2378 E N 0.024 120.122 120.200 -0.169 0.000 2.051 2378 E HA -0.225 4.124 4.350 -0.001 0.000 0.192 2378 E C 1.686 178.151 176.600 -0.226 0.000 0.991 2378 E CA 1.660 57.957 56.400 -0.172 0.000 0.799 2378 E CB -0.179 29.483 29.700 -0.064 0.000 0.748 2378 E HN 0.366 nan 8.360 nan 0.000 0.449 2379 D N 0.486 120.784 120.400 -0.170 0.000 2.117 2379 D HA -0.158 4.481 4.640 -0.001 0.000 0.197 2379 D C 1.878 178.052 176.300 -0.210 0.000 0.987 2379 D CA 1.291 55.209 54.000 -0.137 0.000 0.829 2379 D CB -0.347 40.422 40.800 -0.051 0.000 0.961 2379 D HN 0.304 nan 8.370 nan 0.000 0.460 2380 A N 0.913 123.549 122.820 -0.307 0.000 1.908 2380 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 2380 A C 2.578 179.886 177.584 -0.460 0.000 1.181 2380 A CA 1.362 53.177 52.037 -0.371 0.000 0.627 2380 A CB -0.819 17.880 19.000 -0.502 0.000 0.818 2380 A HN 0.156 nan 8.150 nan 0.000 0.445 2381 V N 0.964 120.536 119.914 -0.571 0.000 2.407 2381 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 2381 V C 2.256 178.167 176.094 -0.306 0.000 1.055 2381 V CA 2.082 64.100 62.300 -0.470 0.000 1.049 2381 V CB -0.879 30.668 31.823 -0.460 0.000 0.662 2381 V HN 0.572 nan 8.190 nan 0.000 0.455 2382 N N -0.135 118.414 118.700 -0.251 0.000 2.171 2382 N HA -0.051 4.689 4.740 -0.001 0.000 0.184 2382 N C 1.678 177.084 175.510 -0.173 0.000 1.021 2382 N CA 1.270 54.211 53.050 -0.181 0.000 0.854 2382 N CB -0.141 38.262 38.487 -0.139 0.000 0.994 2382 N HN 0.353 nan 8.380 nan 0.000 0.426 2383 I N 0.706 121.161 120.570 -0.192 0.000 2.193 2383 I HA -0.144 4.025 4.170 -0.001 0.000 0.240 2383 I C 1.877 177.850 176.117 -0.240 0.000 1.084 2383 I CA 0.747 61.937 61.300 -0.184 0.000 1.365 2383 I CB -0.370 37.526 38.000 -0.172 0.000 1.064 2383 I HN -0.013 nan 8.210 nan 0.000 0.410 2384 L N 0.136 121.160 121.223 -0.331 0.000 2.179 2384 L HA -0.010 4.329 4.340 -0.001 0.000 0.208 2384 L C 0.931 177.631 176.870 -0.282 0.000 1.096 2384 L CA 0.769 55.359 54.840 -0.417 0.000 0.779 2384 L CB -0.836 40.866 42.059 -0.596 0.000 0.922 2384 L HN 0.219 nan 8.230 nan 0.000 0.443 2385 K N -0.430 119.824 120.400 -0.242 0.000 3.257 2385 K HA -0.156 4.163 4.320 -0.001 0.000 0.270 2385 K C -2.162 174.340 176.600 -0.163 0.000 0.984 2385 K CA 0.123 56.299 56.287 -0.184 0.000 0.739 2385 K CB -1.576 30.840 32.500 -0.140 0.000 1.351 2385 K HN 0.313 nan 8.250 nan 0.000 0.463 2386 P HA -0.012 nan 4.420 nan 0.000 0.272 2386 P C 0.482 177.699 177.300 -0.139 0.000 1.230 2386 P CA 0.016 63.035 63.100 -0.135 0.000 0.788 2386 P CB 1.227 32.847 31.700 -0.134 0.000 0.949 2387 S N -0.879 114.742 115.700 -0.131 0.000 2.517 2387 S HA 0.134 4.603 4.470 -0.001 0.000 0.214 2387 S C 0.538 175.032 174.600 -0.177 0.000 0.991 2387 S CA 0.147 58.250 58.200 -0.162 0.000 0.906 2387 S CB -0.275 62.801 63.200 -0.208 0.000 0.789 2387 S HN 0.509 nan 8.310 nan 0.000 0.513 2388 T N 2.969 117.422 114.554 -0.169 0.000 2.971 2388 T HA 0.637 4.986 4.350 -0.001 0.000 0.304 2388 T C -0.824 173.761 174.700 -0.191 0.000 1.038 2388 T CA -0.712 61.261 62.100 -0.211 0.000 1.007 2388 T CB 1.610 70.326 68.868 -0.252 0.000 1.055 2388 T HN 0.430 nan 8.240 nan 0.000 0.451 2389 I N 0.758 121.221 120.570 -0.178 0.000 2.509 2389 I HA 0.741 4.911 4.170 -0.001 0.000 0.293 2389 I C -1.171 174.959 176.117 0.023 0.000 1.020 2389 I CA -1.236 60.026 61.300 -0.063 0.000 1.088 2389 I CB 1.766 39.697 38.000 -0.115 0.000 1.267 2389 I HN 0.526 nan 8.210 nan 0.000 0.430 2390 I N 4.822 125.408 120.570 0.027 0.000 2.439 2390 I HA 0.469 4.638 4.170 -0.001 0.000 0.285 2390 I C 0.378 176.642 176.117 0.246 0.000 1.021 2390 I CA -0.512 60.832 61.300 0.074 0.000 1.091 2390 I CB 2.035 39.837 38.000 -0.330 0.000 1.242 2390 I HN 0.839 nan 8.210 nan 0.000 0.439 2391 G N 5.368 114.274 108.800 0.175 0.000 2.329 2391 G HA2 0.509 4.468 3.960 -0.001 0.000 0.309 2391 G HA3 0.509 4.468 3.960 -0.001 0.000 0.309 2391 G C -0.032 174.834 174.900 -0.057 0.000 1.110 2391 G CA -0.279 44.707 45.100 -0.190 0.000 0.923 2391 G HN 0.552 nan 8.290 nan 0.000 0.430 2392 V N 0.139 120.064 119.914 0.020 0.000 2.719 2392 V HA 0.626 4.745 4.120 -0.001 0.000 0.330 2392 V C 0.695 176.799 176.094 0.018 0.000 1.224 2392 V CA 0.030 62.359 62.300 0.047 0.000 1.314 2392 V CB 0.198 32.105 31.823 0.140 0.000 1.416 2392 V HN 0.765 nan 8.190 nan 0.000 0.651 2393 A N 0.516 123.309 122.820 -0.045 0.000 2.229 2393 A HA 0.627 4.946 4.320 -0.001 0.000 0.211 2393 A C 2.034 179.593 177.584 -0.042 0.000 1.193 2393 A CA 0.688 52.703 52.037 -0.036 0.000 0.879 2393 A CB -0.156 18.808 19.000 -0.060 0.000 0.911 2393 A HN 2.033 nan 8.150 nan 0.000 0.492 2394 G N -1.025 107.742 108.800 -0.056 0.000 2.258 2394 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.274 2394 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.274 2394 G C 0.700 175.572 174.900 -0.046 0.000 1.021 2394 G CA 0.612 45.684 45.100 -0.047 0.000 0.798 2394 G HN 1.575 nan 8.290 nan 0.000 0.507 2395 A N -0.903 121.882 122.820 -0.058 0.000 2.538 2395 A HA 0.754 5.074 4.320 -0.001 0.000 0.269 2395 A C 1.695 179.252 177.584 -0.044 0.000 1.231 2395 A CA 1.284 53.293 52.037 -0.046 0.000 0.948 2395 A CB 0.093 19.067 19.000 -0.042 0.000 1.110 2395 A HN 2.545 nan 8.150 nan 0.000 0.529 2396 G N -0.176 108.593 108.800 -0.051 0.000 2.526 2396 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.250 2396 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.250 2396 G C -0.569 174.300 174.900 -0.050 0.000 1.289 2396 G CA -0.946 44.133 45.100 -0.035 0.000 0.947 2396 G HN 0.238 nan 8.290 nan 0.000 0.517 2397 R N 0.993 121.483 120.500 -0.017 0.000 4.113 2397 R HA 0.150 4.489 4.340 -0.001 0.000 0.179 2397 R C 1.365 177.669 176.300 0.007 0.000 1.781 2397 R CA -0.312 55.786 56.100 -0.003 0.000 1.402 2397 R CB -0.716 29.598 30.300 0.024 0.000 1.375 2397 R HN 0.356 nan 8.270 nan 0.000 0.786 2398 L N -0.041 121.155 121.223 -0.045 0.000 2.492 2398 L HA 0.102 4.441 4.340 -0.001 0.000 0.223 2398 L C 0.923 177.901 176.870 0.180 0.000 1.132 2398 L CA 0.860 55.703 54.840 0.005 0.000 0.850 2398 L CB -0.468 41.537 42.059 -0.090 0.000 0.966 2398 L HN 0.308 nan 8.230 nan 0.000 0.454 2399 F N 1.830 121.757 119.950 -0.038 0.000 2.573 2399 F HA 0.067 4.594 4.527 -0.001 0.000 0.349 2399 F C 1.313 177.121 175.800 0.013 0.000 1.213 2399 F CA -0.891 57.112 58.000 0.006 0.000 1.300 2399 F CB 0.158 39.173 39.000 0.025 0.000 1.661 2399 F HN 0.059 nan 8.300 nan 0.000 0.616 2400 T N -1.021 113.646 114.554 0.189 0.000 2.724 2400 T HA 0.001 4.351 4.350 -0.001 0.000 0.324 2400 T C -1.699 173.033 174.700 0.054 0.000 1.071 2400 T CA -1.196 60.961 62.100 0.095 0.000 1.061 2400 T CB 0.894 69.805 68.868 0.071 0.000 0.990 2400 T HN 0.124 nan 8.240 nan 0.000 0.543 2401 P HA -0.037 nan 4.420 nan 0.000 0.216 2401 P C 1.086 178.376 177.300 -0.016 0.000 1.150 2401 P CA 0.918 64.015 63.100 -0.005 0.000 0.837 2401 P CB -0.001 31.694 31.700 -0.009 0.000 0.786 2402 D N -1.253 119.142 120.400 -0.008 0.000 2.183 2402 D HA -0.077 4.562 4.640 -0.001 0.000 0.203 2402 D C 1.987 178.263 176.300 -0.040 0.000 0.969 2402 D CA 0.799 54.784 54.000 -0.024 0.000 0.842 2402 D CB -0.607 40.183 40.800 -0.017 0.000 0.957 2402 D HN -0.019 nan 8.370 nan 0.000 0.484 2403 V N 1.189 121.090 119.914 -0.020 0.000 2.358 2403 V HA -0.199 3.920 4.120 -0.001 0.000 0.246 2403 V C 2.468 178.499 176.094 -0.105 0.000 1.047 2403 V CA 1.086 63.357 62.300 -0.049 0.000 1.035 2403 V CB -0.261 31.586 31.823 0.039 0.000 0.658 2403 V HN 0.186 nan 8.190 nan 0.000 0.452 2404 I N -0.613 119.908 120.570 -0.082 0.000 2.252 2404 I HA -0.214 3.955 4.170 -0.001 0.000 0.245 2404 I C 2.729 178.788 176.117 -0.097 0.000 1.102 2404 I CA 1.431 62.669 61.300 -0.103 0.000 1.385 2404 I CB -0.475 37.479 38.000 -0.077 0.000 1.064 2404 I HN 0.213 nan 8.210 nan 0.000 0.414 2405 R N 1.150 121.604 120.500 -0.076 0.000 2.081 2405 R HA -0.035 4.304 4.340 -0.001 0.000 0.235 2405 R C 1.431 177.683 176.300 -0.081 0.000 1.131 2405 R CA 0.967 57.025 56.100 -0.070 0.000 0.960 2405 R CB -0.463 29.805 30.300 -0.054 0.000 0.856 2405 R HN 0.326 nan 8.270 nan 0.000 0.436 2409 S N 0.030 115.686 115.700 -0.072 0.000 2.395 2409 S HA 0.050 4.520 4.470 -0.001 0.000 0.225 2409 S C 1.813 176.372 174.600 -0.067 0.000 1.027 2409 S CA 1.482 59.644 58.200 -0.063 0.000 0.965 2409 S CB -0.399 62.763 63.200 -0.063 0.000 0.812 2409 S HN 0.461 nan 8.310 nan 0.000 0.482 2410 I N 1.274 121.795 120.570 -0.083 0.000 2.480 2410 I HA 0.064 4.233 4.170 -0.001 0.000 0.251 2410 I C 0.297 176.366 176.117 -0.081 0.000 1.124 2410 I CA 0.415 61.663 61.300 -0.087 0.000 1.444 2410 I CB -0.054 37.880 38.000 -0.110 0.000 1.098 2410 I HN 0.256 nan 8.210 nan 0.000 0.428 2411 N N 0.601 119.251 118.700 -0.084 0.000 2.272 2411 N HA 0.097 4.837 4.740 -0.001 0.000 0.305 2411 N C 0.498 175.971 175.510 -0.062 0.000 1.103 2411 N CA -0.285 52.718 53.050 -0.079 0.000 0.791 2411 N CB 2.290 40.719 38.487 -0.096 0.000 1.356 2411 N HN 0.062 nan 8.380 nan 0.000 0.486 2412 E N 0.916 121.086 120.200 -0.051 0.000 2.047 2412 E HA -0.074 4.275 4.350 -0.001 0.000 0.191 2412 E C -0.288 176.294 176.600 -0.030 0.000 0.987 2412 E CA 1.048 57.428 56.400 -0.034 0.000 0.799 2412 E CB 0.387 30.073 29.700 -0.024 0.000 0.752 2412 E HN 0.287 nan 8.360 nan 0.000 0.449 2413 R N 1.327 121.805 120.500 -0.037 0.000 2.564 2413 R HA 0.330 4.669 4.340 -0.001 0.000 0.282 2413 R C -2.479 173.792 176.300 -0.049 0.000 1.573 2413 R CA -2.128 53.956 56.100 -0.026 0.000 1.588 2413 R CB 0.981 31.278 30.300 -0.006 0.000 1.154 2413 R HN 0.214 nan 8.270 nan 0.000 0.606 2414 P HA 0.094 nan 4.420 nan 0.000 0.271 2414 P C -0.084 177.180 177.300 -0.060 0.000 1.216 2414 P CA -0.202 62.848 63.100 -0.083 0.000 0.776 2414 P CB 1.343 32.986 31.700 -0.095 0.000 0.881 2415 V N 5.435 125.292 119.914 -0.094 0.000 2.364 2415 V HA 0.301 4.420 4.120 -0.001 0.000 0.272 2415 V C 0.622 176.672 176.094 -0.072 0.000 1.036 2415 V CA -0.281 61.968 62.300 -0.085 0.000 0.880 2415 V CB 0.537 32.224 31.823 -0.226 0.000 0.991 2415 V HN 0.395 nan 8.190 nan 0.000 0.460 2416 I N 5.802 126.450 120.570 0.130 0.000 2.411 2416 I HA 0.442 4.611 4.170 -0.001 0.000 0.284 2416 I C -1.162 175.263 176.117 0.514 0.000 1.012 2416 I CA -0.222 61.219 61.300 0.235 0.000 1.119 2416 I CB 1.497 39.642 38.000 0.242 0.000 1.261 2416 I HN 0.353 nan 8.210 nan 0.000 0.448 2417 F N 4.844 124.840 119.950 0.077 0.000 2.375 2417 F HA 0.539 5.066 4.527 -0.001 0.000 0.361 2417 F C 0.511 176.349 175.800 0.064 0.000 1.117 2417 F CA -1.552 56.417 58.000 -0.051 0.000 1.037 2417 F CB 1.845 40.834 39.000 -0.019 0.000 1.192 2417 F HN 0.414 nan 8.300 nan 0.000 0.452 2418 A N 5.690 128.538 122.820 0.047 0.000 2.690 2418 A HA 0.530 4.850 4.320 -0.001 0.000 0.342 2418 A C 0.524 178.096 177.584 -0.020 0.000 1.410 2418 A CA -0.275 51.773 52.037 0.018 0.000 0.958 2418 A CB -0.355 18.767 19.000 0.203 0.000 1.153 2418 A HN 0.840 nan 8.150 nan 0.000 0.497 2419 L N 0.809 122.027 121.223 -0.008 0.000 2.558 2419 L HA 0.069 4.409 4.340 -0.001 0.000 0.225 2419 L C 0.917 177.784 176.870 -0.007 0.000 1.128 2419 L CA 0.070 54.912 54.840 0.003 0.000 0.868 2419 L CB -0.127 41.974 42.059 0.069 0.000 1.006 2419 L HN 0.493 nan 8.230 nan 0.000 0.454 2420 S N 0.926 116.606 115.700 -0.033 0.000 2.572 2420 S HA 0.177 4.647 4.470 -0.001 0.000 0.279 2420 S C 0.119 174.695 174.600 -0.040 0.000 1.341 2420 S CA -0.205 57.972 58.200 -0.039 0.000 1.043 2420 S CB 0.389 63.549 63.200 -0.067 0.000 0.887 2420 S HN 0.273 nan 8.310 nan 0.000 0.516 2421 N N 2.451 121.120 118.700 -0.053 0.000 2.265 2421 N HA 0.518 5.257 4.740 -0.001 0.000 0.300 2421 N C -2.716 172.748 175.510 -0.076 0.000 1.148 2421 N CA -1.417 51.584 53.050 -0.081 0.000 0.772 2421 N CB 1.892 40.308 38.487 -0.119 0.000 1.434 2421 N HN 0.292 nan 8.380 nan 0.000 0.481 2422 P HA 0.173 nan 4.420 nan 0.000 0.312 2422 P C 0.532 177.785 177.300 -0.077 0.000 1.308 2422 P CA -0.023 63.015 63.100 -0.103 0.000 0.743 2422 P CB 0.441 32.080 31.700 -0.101 0.000 1.364 2423 T N 0.006 114.503 114.554 -0.095 0.000 2.685 2423 T HA -0.237 4.113 4.350 -0.001 0.000 0.268 2423 T C 1.926 176.639 174.700 0.021 0.000 1.034 2423 T CA 2.531 64.592 62.100 -0.066 0.000 1.149 2423 T CB -1.222 67.578 68.868 -0.114 0.000 0.860 2423 T HN 0.525 nan 8.240 nan 0.000 0.449 2424 A N 0.873 123.695 122.820 0.003 0.000 1.978 2424 A HA -0.129 4.191 4.320 -0.001 0.000 0.220 2424 A C 2.202 179.793 177.584 0.011 0.000 1.170 2424 A CA 1.392 53.440 52.037 0.017 0.000 0.636 2424 A CB -0.477 18.523 19.000 0.001 0.000 0.810 2424 A HN 0.397 nan 8.150 nan 0.000 0.448 2425 Q N -0.531 119.264 119.800 -0.007 0.000 2.360 2425 Q HA 0.452 4.791 4.340 -0.001 0.000 0.202 2425 Q C 0.757 176.742 176.000 -0.025 0.000 0.915 2425 Q CA 0.524 56.314 55.803 -0.021 0.000 0.943 2425 Q CB -0.237 28.480 28.738 -0.035 0.000 1.064 2425 Q HN 0.611 nan 8.270 nan 0.000 0.511 2426 A N 0.517 123.346 122.820 0.014 0.000 2.520 2426 A HA 0.022 4.341 4.320 -0.001 0.000 0.235 2426 A C 0.756 178.329 177.584 -0.020 0.000 1.065 2426 A CA -0.123 51.936 52.037 0.036 0.000 0.764 2426 A CB 0.378 19.495 19.000 0.195 0.000 1.002 2426 A HN 0.171 nan 8.150 nan 0.000 0.502 2427 E N -0.393 119.724 120.200 -0.139 0.000 2.150 2427 E HA 0.019 4.369 4.350 -0.001 0.000 0.193 2427 E C 0.611 177.180 176.600 -0.051 0.000 0.985 2427 E CA 1.587 57.799 56.400 -0.314 0.000 0.814 2427 E CB -0.341 28.711 29.700 -1.080 0.000 0.752 2427 E HN 0.933 nan 8.360 nan 0.000 0.466 2428 C N -3.141 116.212 119.300 0.088 0.000 3.231 2428 C HA 0.615 5.074 4.460 -0.001 0.000 0.343 2428 C C -0.059 174.950 174.990 0.032 0.000 1.349 2428 C CA -0.719 58.357 59.018 0.097 0.000 1.209 2428 C CB 0.895 28.731 27.740 0.160 0.000 1.475 2428 C HN 0.248 nan 8.230 nan 0.000 0.460 2429 T N -0.617 113.796 114.554 -0.235 0.000 2.927 2429 T HA 0.663 5.012 4.350 -0.001 0.000 0.281 2429 T C 1.163 175.261 174.700 -1.004 0.000 0.998 2429 T CA 0.195 61.824 62.100 -0.785 0.000 1.019 2429 T CB 1.437 69.952 68.868 -0.589 0.000 1.061 2429 T HN 2.117 nan 8.240 nan 0.000 0.518 2430 A N 0.212 122.218 122.820 -1.358 0.000 1.898 2430 A HA -0.034 4.286 4.320 -0.001 0.000 0.216 2430 A C 2.257 179.501 177.584 -0.568 0.000 1.181 2430 A CA 1.811 53.174 52.037 -1.122 0.000 0.620 2430 A CB -1.183 17.610 19.000 -0.345 0.000 0.819 2430 A HN 1.063 nan 8.150 nan 0.000 0.442 2431 E N 0.077 120.053 120.200 -0.374 0.000 2.070 2431 E HA -0.271 4.079 4.350 -0.001 0.000 0.197 2431 E C 1.856 178.341 176.600 -0.190 0.000 1.004 2431 E CA 1.737 58.039 56.400 -0.165 0.000 0.805 2431 E CB -0.190 29.436 29.700 -0.123 0.000 0.744 2431 E HN 0.749 nan 8.360 nan 0.000 0.451 2432 E N 0.090 120.127 120.200 -0.271 0.000 2.051 2432 E HA -0.191 4.159 4.350 -0.001 0.000 0.192 2432 E C 2.085 178.527 176.600 -0.262 0.000 0.991 2432 E CA 0.951 57.224 56.400 -0.212 0.000 0.799 2432 E CB -0.191 29.403 29.700 -0.177 0.000 0.748 2432 E HN 0.406 nan 8.360 nan 0.000 0.449 2433 A N 0.706 123.248 122.820 -0.464 0.000 1.865 2433 A HA -0.214 4.106 4.320 -0.001 0.000 0.217 2433 A C 1.962 179.261 177.584 -0.475 0.000 1.191 2433 A CA 1.496 53.216 52.037 -0.529 0.000 0.623 2433 A CB -1.028 17.393 19.000 -0.964 0.000 0.826 2433 A HN 0.306 nan 8.150 nan 0.000 0.444 2434 Y N 0.305 120.386 120.300 -0.365 0.000 2.200 2434 Y HA -0.165 4.385 4.550 -0.001 0.000 0.290 2434 Y C 3.045 178.790 175.900 -0.257 0.000 1.137 2434 Y CA 1.623 59.501 58.100 -0.369 0.000 1.163 2434 Y CB -0.706 37.508 38.460 -0.410 0.000 0.988 2434 Y HN 0.275 nan 8.280 nan 0.000 0.518 2435 T N 0.396 114.928 114.554 -0.038 0.000 2.643 2435 T HA -0.151 4.198 4.350 -0.001 0.000 0.264 2435 T C 1.629 176.296 174.700 -0.056 0.000 1.045 2435 T CA 1.139 63.219 62.100 -0.032 0.000 1.155 2435 T CB -0.454 68.394 68.868 -0.033 0.000 0.863 2435 T HN 0.033 nan 8.240 nan 0.000 0.420 2436 L N 1.851 123.023 121.223 -0.085 0.000 2.549 2436 L HA 0.052 4.392 4.340 -0.001 0.000 0.229 2436 L C 2.270 179.091 176.870 -0.082 0.000 1.158 2436 L CA 1.474 56.267 54.840 -0.077 0.000 0.842 2436 L CB -1.488 40.522 42.059 -0.082 0.000 0.952 2436 L HN 0.516 nan 8.230 nan 0.000 0.452 2437 T N -5.748 108.747 114.554 -0.099 0.000 3.084 2437 T HA 0.177 4.527 4.350 -0.001 0.000 0.270 2437 T C 0.595 175.253 174.700 -0.070 0.000 1.008 2437 T CA -0.279 61.766 62.100 -0.092 0.000 0.900 2437 T CB -0.047 68.747 68.868 -0.123 0.000 1.084 2437 T HN 0.289 nan 8.240 nan 0.000 0.538 2438 E N 0.817 120.985 120.200 -0.053 0.000 2.440 2438 E HA -0.224 4.125 4.350 -0.001 0.000 0.246 2438 E C 1.013 177.600 176.600 -0.022 0.000 1.165 2438 E CA 0.458 56.847 56.400 -0.018 0.000 0.726 2438 E CB -1.850 27.849 29.700 -0.002 0.000 1.271 2438 E HN 1.007 nan 8.360 nan 0.000 0.397 2439 G N -0.324 108.392 108.800 -0.139 0.000 2.148 2439 G HA2 -0.399 3.560 3.960 -0.001 0.000 0.254 2439 G HA3 -0.399 3.560 3.960 -0.001 0.000 0.254 2439 G C 0.718 175.497 174.900 -0.201 0.000 0.981 2439 G CA 0.650 45.506 45.100 -0.406 0.000 0.670 2439 G HN 0.406 nan 8.290 nan 0.000 0.528 2440 R N -0.475 119.971 120.500 -0.090 0.000 2.223 2440 R HA 0.194 4.533 4.340 -0.001 0.000 0.198 2440 R C 2.142 178.427 176.300 -0.025 0.000 0.984 2440 R CA 0.732 56.819 56.100 -0.023 0.000 1.018 2440 R CB -0.146 30.144 30.300 -0.017 0.000 0.945 2440 R HN 0.802 nan 8.270 nan 0.000 0.479 2441 C N 0.246 119.500 119.300 -0.077 0.000 2.700 2441 C HA 0.383 4.842 4.460 -0.001 0.000 0.397 2441 C C 0.506 175.512 174.990 0.026 0.000 1.301 2441 C CA -1.111 57.870 59.018 -0.062 0.000 2.219 2441 C CB -0.212 27.437 27.740 -0.152 0.000 2.699 2441 C HN 0.229 nan 8.230 nan 0.000 0.669 2442 L N 2.927 124.204 121.223 0.089 0.000 2.301 2442 L HA 0.453 4.792 4.340 -0.001 0.000 0.278 2442 L C -0.256 176.784 176.870 0.283 0.000 1.022 2442 L CA -0.060 54.895 54.840 0.193 0.000 0.854 2442 L CB 0.318 42.475 42.059 0.164 0.000 1.226 2442 L HN 0.780 nan 8.230 nan 0.000 0.429 2443 F N 3.278 123.260 119.950 0.054 0.000 2.470 2443 F HA 0.832 5.359 4.527 -0.001 0.000 0.329 2443 F C -0.133 175.682 175.800 0.024 0.000 1.072 2443 F CA -0.461 57.545 58.000 0.010 0.000 0.989 2443 F CB 1.641 40.428 39.000 -0.355 0.000 1.193 2443 F HN 0.398 nan 8.300 nan 0.000 0.481 2444 A N 2.674 124.804 122.820 -1.151 0.000 2.574 2444 A HA 0.701 5.021 4.320 -0.001 0.000 0.297 2444 A C -1.398 175.502 177.584 -1.139 0.000 1.062 2444 A CA -0.174 51.305 52.037 -0.929 0.000 0.686 2444 A CB 1.256 19.598 19.000 -1.098 0.000 1.285 2444 A HN 1.096 nan 8.150 nan 0.000 0.403 2445 S N -0.123 115.291 115.700 -0.476 0.000 2.627 2445 S HA 0.712 5.181 4.470 -0.001 0.000 0.283 2445 S C 0.815 175.364 174.600 -0.085 0.000 1.127 2445 S CA -0.029 58.068 58.200 -0.171 0.000 0.863 2445 S CB 1.399 64.817 63.200 0.364 0.000 1.121 2445 S HN 1.826 nan 8.310 nan 0.000 0.479 2446 G N 0.570 109.345 108.800 -0.041 0.000 2.408 2446 G HA2 0.213 4.173 3.960 -0.001 0.000 0.215 2446 G HA3 0.213 4.173 3.960 -0.001 0.000 0.215 2446 G C 0.337 175.198 174.900 -0.064 0.000 1.156 2446 G CA 0.212 45.286 45.100 -0.043 0.000 0.793 2446 G HN 0.687 nan 8.290 nan 0.000 0.535 2447 S N 1.172 116.804 115.700 -0.113 0.000 2.593 2447 S HA 0.533 5.002 4.470 -0.001 0.000 0.297 2447 S C -2.526 171.870 174.600 -0.339 0.000 1.112 2447 S CA -1.013 57.055 58.200 -0.221 0.000 1.043 2447 S CB 2.392 65.426 63.200 -0.277 0.000 1.054 2447 S HN 0.073 nan 8.310 nan 0.000 0.516 2448 P HA 0.235 nan 4.420 nan 0.000 0.268 2448 P C -1.256 175.793 177.300 -0.419 0.000 1.205 2448 P CA 0.140 63.113 63.100 -0.211 0.000 0.771 2448 P CB 0.131 31.783 31.700 -0.080 0.000 0.858 2449 F N 0.623 120.654 119.950 0.135 0.000 2.581 2449 F HA 0.464 4.990 4.527 -0.001 0.000 0.311 2449 F C 1.114 176.994 175.800 0.133 0.000 1.113 2449 F CA -0.717 57.365 58.000 0.138 0.000 0.935 2449 F CB 2.200 41.312 39.000 0.187 0.000 1.232 2449 F HN 0.321 nan 8.300 nan 0.000 0.445 2450 G N 1.809 110.791 108.800 0.303 0.000 2.621 2450 G HA2 0.515 4.474 3.960 -0.001 0.000 0.271 2450 G HA3 0.515 4.474 3.960 -0.001 0.000 0.271 2450 G C -2.763 172.249 174.900 0.188 0.000 1.236 2450 G CA -1.422 43.797 45.100 0.198 0.000 0.958 2450 G HN 0.297 nan 8.290 nan 0.000 0.512 2451 P HA 0.237 nan 4.420 nan 0.000 0.267 2451 P C -0.563 176.779 177.300 0.071 0.000 1.200 2451 P CA -0.222 62.931 63.100 0.088 0.000 0.772 2451 P CB 0.970 32.698 31.700 0.047 0.000 0.855 2452 V N 3.079 123.016 119.914 0.038 0.000 2.495 2452 V HA 0.387 4.506 4.120 -0.001 0.000 0.298 2452 V C 0.117 176.230 176.094 0.031 0.000 1.031 2452 V CA -0.464 61.860 62.300 0.039 0.000 0.871 2452 V CB 1.553 33.410 31.823 0.057 0.000 0.988 2452 V HN 0.423 nan 8.190 nan 0.000 0.432 2453 K N 4.881 125.302 120.400 0.035 0.000 2.358 2453 K HA 0.629 4.948 4.320 -0.001 0.000 0.260 2453 K C -1.027 175.604 176.600 0.053 0.000 0.956 2453 K CA -0.613 55.690 56.287 0.026 0.000 0.834 2453 K CB 1.192 33.693 32.500 0.003 0.000 1.102 2453 K HN 0.614 nan 8.250 nan 0.000 0.431 2454 L N 3.178 124.453 121.223 0.086 0.000 2.418 2454 L HA 0.141 4.481 4.340 -0.001 0.000 0.265 2454 L C 1.806 178.705 176.870 0.049 0.000 1.143 2454 L CA -0.380 54.512 54.840 0.087 0.000 0.809 2454 L CB 1.189 43.336 42.059 0.147 0.000 1.124 2454 L HN 0.861 nan 8.230 nan 0.000 0.456 2455 T N -2.990 111.586 114.554 0.038 0.000 3.003 2455 T HA -0.184 4.166 4.350 -0.001 0.000 0.270 2455 T C 0.730 175.443 174.700 0.022 0.000 1.153 2455 T CA 1.338 63.452 62.100 0.024 0.000 1.089 2455 T CB -0.682 68.198 68.868 0.019 0.000 0.838 2455 T HN 0.794 nan 8.240 nan 0.000 0.562 2456 D N -0.535 119.883 120.400 0.031 0.000 2.368 2456 D HA 0.387 5.027 4.640 -0.001 0.000 0.218 2456 D C 1.535 177.842 176.300 0.011 0.000 1.112 2456 D CA 0.160 54.174 54.000 0.024 0.000 0.834 2456 D CB -0.381 40.440 40.800 0.036 0.000 0.953 2456 D HN 0.416 nan 8.370 nan 0.000 0.505 2457 G N 0.406 109.209 108.800 0.005 0.000 2.199 2457 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.254 2457 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.254 2457 G C 0.280 175.149 174.900 -0.051 0.000 0.982 2457 G CA -0.221 44.868 45.100 -0.018 0.000 0.632 2457 G HN 0.420 nan 8.290 nan 0.000 0.529 2458 R N 0.217 120.689 120.500 -0.047 0.000 2.347 2458 R HA 0.483 4.823 4.340 -0.001 0.000 0.304 2458 R C -0.005 176.147 176.300 -0.247 0.000 1.072 2458 R CA -0.224 55.778 56.100 -0.165 0.000 0.980 2458 R CB 1.454 31.697 30.300 -0.095 0.000 0.986 2458 R HN 0.102 nan 8.270 nan 0.000 0.448 2459 V N 5.025 124.697 119.914 -0.404 0.000 2.394 2459 V HA 0.371 4.491 4.120 -0.001 0.000 0.282 2459 V C -0.574 175.138 176.094 -0.635 0.000 1.031 2459 V CA -0.459 61.634 62.300 -0.346 0.000 0.881 2459 V CB 0.889 32.590 31.823 -0.204 0.000 0.982 2459 V HN 0.517 nan 8.190 nan 0.000 0.451 2460 F N 1.725 121.505 119.950 -0.284 0.000 2.477 2460 F HA 0.491 5.017 4.527 -0.001 0.000 0.335 2460 F C 0.552 176.166 175.800 -0.310 0.000 1.130 2460 F CA -0.486 57.241 58.000 -0.454 0.000 0.948 2460 F CB 2.152 40.449 39.000 -1.173 0.000 1.154 2460 F HN 0.316 nan 8.300 nan 0.000 0.439 2461 T N 5.529 120.096 114.554 0.021 0.000 2.801 2461 T HA 0.301 4.650 4.350 -0.001 0.000 0.306 2461 T C -2.617 172.224 174.700 0.234 0.000 1.020 2461 T CA -1.461 60.705 62.100 0.110 0.000 0.948 2461 T CB 0.762 69.679 68.868 0.082 0.000 0.962 2461 T HN 0.202 nan 8.240 nan 0.000 0.465 2462 P HA 0.291 nan 4.420 nan 0.000 0.276 2462 P C 0.224 177.741 177.300 0.361 0.000 1.230 2462 P CA -0.188 63.206 63.100 0.491 0.000 0.776 2462 P CB 0.966 33.074 31.700 0.681 0.000 0.888 2463 G N 2.118 111.114 108.800 0.327 0.000 2.451 2463 G HA2 0.277 4.236 3.960 -0.001 0.000 0.303 2463 G HA3 0.277 4.236 3.960 -0.001 0.000 0.303 2463 G C -0.915 174.099 174.900 0.190 0.000 1.166 2463 G CA -0.499 44.782 45.100 0.301 0.000 0.884 2463 G HN 0.561 nan 8.290 nan 0.000 0.514 2464 Q N 0.302 120.158 119.800 0.094 0.000 2.398 2464 Q HA 0.429 4.769 4.340 -0.001 0.000 0.251 2464 Q C 0.412 176.201 176.000 -0.352 0.000 0.999 2464 Q CA -0.649 55.136 55.803 -0.029 0.000 0.874 2464 Q CB 0.871 29.651 28.738 0.070 0.000 1.215 2464 Q HN 0.578 nan 8.270 nan 0.000 0.470 2465 G N 4.486 113.035 108.800 -0.417 0.000 2.985 2465 G HA2 0.028 3.987 3.960 -0.001 0.000 0.282 2465 G HA3 0.028 3.987 3.960 -0.001 0.000 0.282 2465 G C -0.391 174.398 174.900 -0.184 0.000 0.791 2465 G CA -0.205 44.578 45.100 -0.528 0.000 1.934 2465 G HN 0.536 nan 8.290 nan 0.000 0.563 2466 N N 1.374 120.022 118.700 -0.085 0.000 2.258 2466 N HA 0.035 4.774 4.740 -0.001 0.000 0.299 2466 N C 1.012 176.624 175.510 0.170 0.000 1.047 2466 N CA -0.664 52.440 53.050 0.091 0.000 0.814 2466 N CB 1.411 39.984 38.487 0.143 0.000 1.413 2466 N HN 0.257 nan 8.380 nan 0.000 0.478 2467 N N 2.219 121.069 118.700 0.250 0.000 2.588 2467 N HA -0.145 4.595 4.740 -0.001 0.000 0.190 2467 N C 1.388 177.026 175.510 0.215 0.000 1.094 2467 N CA 0.611 53.854 53.050 0.320 0.000 0.921 2467 N CB -0.262 38.489 38.487 0.441 0.000 0.959 2467 N HN 0.281 nan 8.380 nan 0.000 0.448 2468 V N -0.465 119.486 119.914 0.062 0.000 2.720 2468 V HA -0.199 3.920 4.120 -0.001 0.000 0.256 2468 V C 1.197 176.940 176.094 -0.585 0.000 1.082 2468 V CA 1.369 63.343 62.300 -0.544 0.000 1.101 2468 V CB -0.754 30.814 31.823 -0.425 0.000 0.693 2468 V HN 0.324 nan 8.190 nan 0.000 0.479 2469 Y N -0.943 119.200 120.300 -0.262 0.000 2.509 2469 Y HA -0.010 4.539 4.550 -0.001 0.000 0.293 2469 Y C 2.085 177.884 175.900 -0.168 0.000 1.133 2469 Y CA 1.092 59.075 58.100 -0.194 0.000 1.283 2469 Y CB 0.329 38.719 38.460 -0.117 0.000 1.001 2469 Y HN 0.252 nan 8.280 nan 0.000 0.555 2470 I N -1.717 118.846 120.570 -0.012 0.000 3.132 2470 I HA -0.124 4.046 4.170 -0.001 0.000 0.255 2470 I C 2.143 178.251 176.117 -0.015 0.000 1.118 2470 I CA 0.661 61.984 61.300 0.038 0.000 1.463 2470 I CB -1.452 36.668 38.000 0.200 0.000 1.356 2470 I HN 0.171 nan 8.210 nan 0.000 0.463 2471 F N 2.159 122.169 119.950 0.100 0.000 2.202 2471 F HA -0.010 4.516 4.527 -0.001 0.000 0.301 2471 F C -0.765 174.941 175.800 -0.157 0.000 1.082 2471 F CA 0.815 58.858 58.000 0.072 0.000 1.313 2471 F CB -2.808 36.373 39.000 0.302 0.000 1.024 2471 F HN 0.082 nan 8.300 nan 0.000 0.495 2472 P HA -0.016 nan 4.420 nan 0.000 0.215 2472 P C 2.109 179.250 177.300 -0.264 0.000 1.157 2472 P CA 2.283 65.159 63.100 -0.374 0.000 0.863 2472 P CB -0.413 31.051 31.700 -0.393 0.000 0.787 2473 G N -0.390 108.292 108.800 -0.197 0.000 2.402 2473 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.216 2473 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.216 2473 G C 1.617 176.436 174.900 -0.135 0.000 1.162 2473 G CA 0.643 45.663 45.100 -0.133 0.000 0.777 2473 G HN 0.135 nan 8.290 nan 0.000 0.539 2474 V N 1.522 121.339 119.914 -0.163 0.000 2.358 2474 V HA -0.101 4.018 4.120 -0.001 0.000 0.246 2474 V C 3.306 179.285 176.094 -0.191 0.000 1.047 2474 V CA 1.914 64.078 62.300 -0.226 0.000 1.035 2474 V CB -0.761 30.840 31.823 -0.370 0.000 0.658 2474 V HN 0.467 nan 8.190 nan 0.000 0.452 2475 A N -0.061 122.655 122.820 -0.172 0.000 1.902 2475 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 2475 A C 2.168 179.696 177.584 -0.094 0.000 1.181 2475 A CA 2.100 54.060 52.037 -0.128 0.000 0.623 2475 A CB -0.581 18.175 19.000 -0.407 0.000 0.818 2475 A HN 0.450 nan 8.150 nan 0.000 0.443 2476 L N -0.183 120.964 121.223 -0.126 0.000 2.017 2476 L HA -0.073 4.267 4.340 -0.001 0.000 0.208 2476 L C 2.684 179.544 176.870 -0.016 0.000 1.073 2476 L CA 2.270 57.072 54.840 -0.063 0.000 0.745 2476 L CB -0.902 41.114 42.059 -0.072 0.000 0.894 2476 L HN 0.353 nan 8.230 nan 0.000 0.432 2477 A N -0.942 121.864 122.820 -0.024 0.000 1.865 2477 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 2477 A C 2.267 179.870 177.584 0.031 0.000 1.191 2477 A CA 2.363 54.413 52.037 0.020 0.000 0.623 2477 A CB -1.302 17.693 19.000 -0.009 0.000 0.826 2477 A HN 0.314 nan 8.150 nan 0.000 0.444 2478 V N 0.246 120.156 119.914 -0.007 0.000 2.332 2478 V HA -0.302 3.817 4.120 -0.001 0.000 0.248 2478 V C 2.431 178.555 176.094 0.051 0.000 1.055 2478 V CA 2.154 64.463 62.300 0.015 0.000 1.038 2478 V CB -0.739 31.089 31.823 0.008 0.000 0.651 2478 V HN 0.566 nan 8.190 nan 0.000 0.450 2479 I N -0.632 119.970 120.570 0.053 0.000 2.163 2479 I HA -0.231 3.939 4.170 -0.001 0.000 0.240 2479 I C 2.326 178.498 176.117 0.092 0.000 1.081 2479 I CA 1.543 62.881 61.300 0.064 0.000 1.353 2479 I CB -0.343 37.684 38.000 0.047 0.000 1.054 2479 I HN 0.240 nan 8.210 nan 0.000 0.407 2480 L N -0.049 121.238 121.223 0.107 0.000 2.079 2480 L HA -0.243 4.096 4.340 -0.001 0.000 0.210 2480 L C 2.292 179.324 176.870 0.272 0.000 1.081 2480 L CA 1.070 56.025 54.840 0.191 0.000 0.752 2480 L CB -0.589 41.593 42.059 0.206 0.000 0.896 2480 L HN 0.414 nan 8.230 nan 0.000 0.433 2481 C N -0.206 119.198 119.300 0.175 0.000 2.626 2481 C HA 0.099 4.558 4.460 -0.001 0.000 0.266 2481 C C 1.079 176.106 174.990 0.062 0.000 1.317 2481 C CA -0.316 58.740 59.018 0.064 0.000 1.716 2481 C CB -1.930 25.751 27.740 -0.099 0.000 1.819 2481 C HN 0.631 nan 8.230 nan 0.000 0.578 2482 N N 0.373 119.143 118.700 0.116 0.000 2.740 2482 N HA -0.147 4.593 4.740 -0.001 0.000 0.248 2482 N C -0.380 175.213 175.510 0.138 0.000 1.062 2482 N CA 0.218 53.347 53.050 0.132 0.000 0.704 2482 N CB -0.997 37.600 38.487 0.183 0.000 0.968 2482 N HN 0.470 nan 8.380 nan 0.000 0.547 2483 T N -0.123 114.489 114.554 0.098 0.000 2.930 2483 T HA 0.097 4.447 4.350 -0.001 0.000 0.306 2483 T C 1.544 176.249 174.700 0.008 0.000 1.045 2483 T CA 0.087 62.250 62.100 0.105 0.000 1.134 2483 T CB 1.165 70.073 68.868 0.066 0.000 0.961 2483 T HN 0.221 nan 8.240 nan 0.000 0.545 2484 R N 0.718 121.169 120.500 -0.082 0.000 2.175 2484 R HA 0.152 4.491 4.340 -0.001 0.000 0.202 2484 R C 0.045 175.963 176.300 -0.637 0.000 1.018 2484 R CA 0.561 56.422 56.100 -0.398 0.000 1.029 2484 R CB 0.286 30.243 30.300 -0.571 0.000 0.959 2484 R HN 0.680 nan 8.270 nan 0.000 0.480 2485 H N -1.008 118.120 119.070 0.097 0.000 2.996 2485 H HA 0.334 4.890 4.556 -0.001 0.000 0.368 2485 H C -1.145 174.266 175.328 0.139 0.000 1.185 2485 H CA -0.911 55.212 56.048 0.125 0.000 1.160 2485 H CB 2.054 31.878 29.762 0.104 0.000 1.820 2485 H HN -0.158 nan 8.280 nan 0.000 0.547 2486 I N 2.498 123.245 120.570 0.295 0.000 2.330 2486 I HA 0.225 4.394 4.170 -0.001 0.000 0.289 2486 I C 0.451 176.726 176.117 0.262 0.000 1.001 2486 I CA -0.556 60.879 61.300 0.225 0.000 1.193 2486 I CB 0.792 38.928 38.000 0.226 0.000 1.345 2486 I HN 0.624 nan 8.210 nan 0.000 0.461 2487 S N 3.706 119.537 115.700 0.217 0.000 2.646 2487 S HA 0.336 4.806 4.470 -0.001 0.000 0.276 2487 S C 0.658 175.420 174.600 0.269 0.000 1.222 2487 S CA -0.655 57.678 58.200 0.222 0.000 1.014 2487 S CB 1.891 65.206 63.200 0.193 0.000 0.991 2487 S HN 0.523 nan 8.310 nan 0.000 0.533 2488 D N 1.544 122.105 120.400 0.268 0.000 2.221 2488 D HA -0.110 4.529 4.640 -0.001 0.000 0.204 2488 D C 2.130 178.585 176.300 0.258 0.000 0.982 2488 D CA 1.717 55.908 54.000 0.319 0.000 0.857 2488 D CB -0.491 40.435 40.800 0.210 0.000 0.934 2488 D HN 0.741 nan 8.370 nan 0.000 0.475 2489 S N -0.048 115.753 115.700 0.169 0.000 2.442 2489 S HA -0.103 4.366 4.470 -0.001 0.000 0.236 2489 S C 2.154 176.674 174.600 -0.133 0.000 1.007 2489 S CA 0.524 58.772 58.200 0.079 0.000 0.965 2489 S CB -0.451 62.857 63.200 0.180 0.000 0.773 2489 S HN 0.078 nan 8.310 nan 0.000 0.504 2490 V N 0.715 120.563 119.914 -0.109 0.000 2.427 2490 V HA -0.070 4.049 4.120 -0.001 0.000 0.248 2490 V C 2.097 177.933 176.094 -0.430 0.000 1.051 2490 V CA 1.680 63.759 62.300 -0.367 0.000 1.048 2490 V CB -0.991 30.610 31.823 -0.371 0.000 0.666 2490 V HN 0.500 nan 8.190 nan 0.000 0.456 2491 F N -0.874 119.012 119.950 -0.107 0.000 2.325 2491 F HA -0.032 4.495 4.527 -0.001 0.000 0.299 2491 F C 2.126 177.890 175.800 -0.060 0.000 1.090 2491 F CA 1.046 59.004 58.000 -0.069 0.000 1.392 2491 F CB -0.341 38.652 39.000 -0.011 0.000 1.053 2491 F HN 0.036 nan 8.300 nan 0.000 0.521 2492 L N 0.089 121.359 121.223 0.078 0.000 2.017 2492 L HA -0.227 4.113 4.340 -0.001 0.000 0.208 2492 L C 2.559 179.392 176.870 -0.062 0.000 1.073 2492 L CA 1.665 56.523 54.840 0.030 0.000 0.745 2492 L CB -0.261 41.808 42.059 0.018 0.000 0.894 2492 L HN 0.102 nan 8.230 nan 0.000 0.432 2493 E N 0.199 120.265 120.200 -0.222 0.000 2.110 2493 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 2493 E C 1.958 178.460 176.600 -0.163 0.000 0.988 2493 E CA 1.575 57.803 56.400 -0.287 0.000 0.804 2493 E CB -0.129 29.156 29.700 -0.692 0.000 0.745 2493 E HN 0.502 nan 8.360 nan 0.000 0.458 2494 A N 0.737 123.465 122.820 -0.155 0.000 1.902 2494 A HA -0.040 4.279 4.320 -0.001 0.000 0.217 2494 A C 2.449 180.032 177.584 -0.001 0.000 1.181 2494 A CA 2.028 54.015 52.037 -0.083 0.000 0.623 2494 A CB -1.026 17.916 19.000 -0.098 0.000 0.818 2494 A HN 0.381 nan 8.150 nan 0.000 0.443 2495 A N 0.014 122.856 122.820 0.036 0.000 1.908 2495 A HA -0.201 4.119 4.320 -0.001 0.000 0.218 2495 A C 2.112 179.718 177.584 0.037 0.000 1.181 2495 A CA 1.929 54.007 52.037 0.069 0.000 0.627 2495 A CB -0.454 18.602 19.000 0.094 0.000 0.818 2495 A HN 0.566 nan 8.150 nan 0.000 0.445 2496 K N -0.390 120.017 120.400 0.011 0.000 2.097 2496 K HA 0.016 4.335 4.320 -0.001 0.000 0.205 2496 K C 2.239 178.842 176.600 0.005 0.000 1.050 2496 K CA 1.022 57.312 56.287 0.006 0.000 0.938 2496 K CB -0.291 32.208 32.500 -0.001 0.000 0.718 2496 K HN 0.433 nan 8.250 nan 0.000 0.442 2497 A N 1.298 124.117 122.820 -0.002 0.000 1.969 2497 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 2497 A C 2.055 179.647 177.584 0.014 0.000 1.169 2497 A CA 0.968 53.007 52.037 0.004 0.000 0.635 2497 A CB -0.352 18.645 19.000 -0.006 0.000 0.810 2497 A HN 0.216 nan 8.150 nan 0.000 0.445 2498 L N -0.820 120.416 121.223 0.022 0.000 2.023 2498 L HA -0.051 4.288 4.340 -0.001 0.000 0.205 2498 L C 2.490 179.365 176.870 0.008 0.000 1.073 2498 L CA 2.836 57.695 54.840 0.032 0.000 0.745 2498 L CB -1.177 40.918 42.059 0.060 0.000 0.900 2498 L HN 0.320 nan 8.230 nan 0.000 0.435 2499 T N -1.494 113.056 114.554 -0.006 0.000 2.915 2499 T HA -0.134 4.215 4.350 -0.001 0.000 0.269 2499 T C 2.073 176.763 174.700 -0.017 0.000 1.071 2499 T CA 1.431 63.510 62.100 -0.035 0.000 1.132 2499 T CB -0.430 68.414 68.868 -0.040 0.000 0.878 2499 T HN 0.701 nan 8.240 nan 0.000 0.479 2500 S N 0.368 116.067 115.700 -0.002 0.000 2.469 2500 S HA -0.066 4.403 4.470 -0.001 0.000 0.238 2500 S C 1.840 176.444 174.600 0.007 0.000 0.998 2500 S CA 0.749 58.951 58.200 0.004 0.000 0.957 2500 S CB -0.421 62.785 63.200 0.010 0.000 0.764 2500 S HN 0.690 nan 8.310 nan 0.000 0.514 2501 Q N -0.010 119.796 119.800 0.009 0.000 2.392 2501 Q HA 0.350 4.689 4.340 -0.001 0.000 0.203 2501 Q C 0.235 176.244 176.000 0.014 0.000 0.917 2501 Q CA -0.141 55.672 55.803 0.016 0.000 0.939 2501 Q CB 0.098 28.853 28.738 0.028 0.000 1.063 2501 Q HN 0.529 nan 8.270 nan 0.000 0.516 2502 L N 2.696 123.919 121.223 0.000 0.000 2.455 2502 L HA 0.066 4.405 4.340 -0.001 0.000 0.272 2502 L C 0.612 177.485 176.870 0.006 0.000 1.174 2502 L CA 0.037 54.876 54.840 -0.002 0.000 0.869 2502 L CB 0.740 42.781 42.059 -0.030 0.000 1.130 2502 L HN 0.177 nan 8.230 nan 0.000 0.474 2503 T N -0.836 113.726 114.554 0.013 0.000 2.912 2503 T HA 0.189 4.539 4.350 -0.001 0.000 0.280 2503 T C 0.721 175.429 174.700 0.014 0.000 0.989 2503 T CA -0.881 61.227 62.100 0.014 0.000 0.995 2503 T CB 1.301 70.179 68.868 0.017 0.000 1.077 2503 T HN 0.528 nan 8.240 nan 0.000 0.531 2504 D N 0.458 120.866 120.400 0.013 0.000 2.183 2504 D HA -0.052 4.588 4.640 -0.001 0.000 0.203 2504 D C 1.827 178.137 176.300 0.016 0.000 0.969 2504 D CA 1.101 55.110 54.000 0.015 0.000 0.842 2504 D CB 0.003 40.811 40.800 0.013 0.000 0.957 2504 D HN 0.680 nan 8.370 nan 0.000 0.484 2505 E N 1.331 121.539 120.200 0.014 0.000 2.077 2505 E HA -0.143 4.207 4.350 -0.001 0.000 0.193 2505 E C 1.993 178.604 176.600 0.017 0.000 0.989 2505 E CA 0.865 57.272 56.400 0.011 0.000 0.800 2505 E CB -0.218 29.487 29.700 0.009 0.000 0.746 2505 E HN 0.424 nan 8.360 nan 0.000 0.452 2506 E N 0.551 120.766 120.200 0.024 0.000 2.106 2506 E HA -0.130 4.219 4.350 -0.001 0.000 0.192 2506 E C 1.985 178.612 176.600 0.044 0.000 0.984 2506 E CA 0.520 56.942 56.400 0.036 0.000 0.806 2506 E CB -0.131 29.593 29.700 0.041 0.000 0.750 2506 E HN 0.141 nan 8.360 nan 0.000 0.458 2507 L N 1.216 122.461 121.223 0.037 0.000 2.046 2507 L HA -0.091 4.248 4.340 -0.001 0.000 0.208 2507 L C 2.294 179.202 176.870 0.063 0.000 1.077 2507 L CA 1.975 56.843 54.840 0.046 0.000 0.747 2507 L CB -0.988 41.090 42.059 0.032 0.000 0.896 2507 L HN 0.081 nan 8.230 nan 0.000 0.432 2508 A N -0.257 122.588 122.820 0.042 0.000 1.978 2508 A HA -0.256 4.063 4.320 -0.001 0.000 0.220 2508 A C 2.019 179.617 177.584 0.024 0.000 1.170 2508 A CA 1.679 53.736 52.037 0.034 0.000 0.636 2508 A CB -0.478 18.529 19.000 0.011 0.000 0.810 2508 A HN 0.723 nan 8.150 nan 0.000 0.448 2509 Q N -1.948 117.865 119.800 0.022 0.000 2.369 2509 Q HA 0.174 4.513 4.340 -0.001 0.000 0.206 2509 Q C 1.299 177.340 176.000 0.068 0.000 0.963 2509 Q CA 0.653 56.456 55.803 -0.001 0.000 0.894 2509 Q CB -0.060 28.685 28.738 0.012 0.000 0.965 2509 Q HN 0.927 nan 8.270 nan 0.000 0.475 2510 G N 1.020 109.908 108.800 0.146 0.000 2.184 2510 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.206 2510 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.206 2510 G C -0.175 174.870 174.900 0.242 0.000 0.995 2510 G CA -0.587 44.673 45.100 0.265 0.000 0.651 2510 G HN 0.147 nan 8.290 nan 0.000 0.511 2511 R N 0.213 120.812 120.500 0.164 0.000 2.316 2511 R HA 0.517 4.857 4.340 -0.001 0.000 0.314 2511 R C 1.210 177.553 176.300 0.071 0.000 1.069 2511 R CA -0.250 55.938 56.100 0.148 0.000 0.959 2511 R CB 0.546 30.919 30.300 0.122 0.000 0.987 2511 R HN 0.251 nan 8.270 nan 0.000 0.446 2512 L N 3.204 124.437 121.223 0.017 0.000 2.607 2512 L HA 0.203 4.542 4.340 -0.001 0.000 0.228 2512 L C -0.446 176.064 176.870 -0.601 0.000 1.123 2512 L CA 0.202 54.895 54.840 -0.244 0.000 0.890 2512 L CB 0.074 41.956 42.059 -0.295 0.000 1.103 2512 L HN 0.578 nan 8.230 nan 0.000 0.468 2513 Y N -1.721 118.526 120.300 -0.089 0.000 2.588 2513 Y HA 0.443 4.992 4.550 -0.001 0.000 0.343 2513 Y C -2.401 173.425 175.900 -0.123 0.000 1.065 2513 Y CA -2.785 55.179 58.100 -0.226 0.000 1.038 2513 Y CB 0.907 39.060 38.460 -0.512 0.000 1.297 2513 Y HN -0.231 nan 8.280 nan 0.000 0.467 2514 P HA 0.101 nan 4.420 nan 0.000 0.269 2514 P C -2.618 174.806 177.300 0.207 0.000 1.215 2514 P CA -0.963 62.202 63.100 0.109 0.000 0.780 2514 P CB 0.026 31.796 31.700 0.116 0.000 0.898 2515 P HA -0.037 nan 4.420 nan 0.000 0.265 2515 P C 0.736 178.156 177.300 0.200 0.000 1.193 2515 P CA 0.023 63.226 63.100 0.170 0.000 0.765 2515 P CB 0.268 32.031 31.700 0.105 0.000 0.823 2516 L N 4.560 125.897 121.223 0.190 0.000 2.261 2516 L HA -0.173 4.166 4.340 -0.001 0.000 0.216 2516 L C 2.060 178.936 176.870 0.010 0.000 1.114 2516 L CA 1.881 56.763 54.840 0.069 0.000 0.777 2516 L CB -1.421 40.654 42.059 0.026 0.000 0.910 2516 L HN 0.430 nan 8.230 nan 0.000 0.440 2517 A N -0.802 122.042 122.820 0.039 0.000 2.070 2517 A HA -0.177 4.142 4.320 -0.001 0.000 0.220 2517 A C 1.726 179.316 177.584 0.011 0.000 1.159 2517 A CA 1.772 53.819 52.037 0.018 0.000 0.656 2517 A CB -0.779 18.237 19.000 0.026 0.000 0.800 2517 A HN 0.722 nan 8.150 nan 0.000 0.453 2518 N N -0.888 117.832 118.700 0.033 0.000 2.251 2518 N HA 0.184 4.923 4.740 -0.001 0.000 0.217 2518 N C 1.013 176.537 175.510 0.024 0.000 1.124 2518 N CA -0.120 52.948 53.050 0.030 0.000 0.843 2518 N CB 0.211 38.728 38.487 0.050 0.000 1.024 2518 N HN 0.387 nan 8.380 nan 0.000 0.501 2519 I N 1.509 122.070 120.570 -0.016 0.000 2.315 2519 I HA -0.346 3.824 4.170 -0.001 0.000 0.251 2519 I C 1.922 177.999 176.117 -0.067 0.000 1.125 2519 I CA 1.838 63.093 61.300 -0.076 0.000 1.392 2519 I CB 0.151 38.017 38.000 -0.223 0.000 1.065 2519 I HN 0.123 nan 8.210 nan 0.000 0.424 2520 Q N 0.142 119.910 119.800 -0.054 0.000 2.020 2520 Q HA -0.241 4.098 4.340 -0.001 0.000 0.202 2520 Q C 2.274 178.257 176.000 -0.029 0.000 0.982 2520 Q CA 2.139 57.914 55.803 -0.048 0.000 0.838 2520 Q CB -0.479 28.236 28.738 -0.038 0.000 0.899 2520 Q HN 0.633 nan 8.270 nan 0.000 0.423 2521 E N 0.072 120.265 120.200 -0.012 0.000 2.077 2521 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 2521 E C 1.857 178.462 176.600 0.009 0.000 0.989 2521 E CA 1.221 57.620 56.400 -0.002 0.000 0.800 2521 E CB 0.128 29.832 29.700 0.007 0.000 0.746 2521 E HN 0.176 nan 8.360 nan 0.000 0.452 2522 V N 0.693 120.624 119.914 0.028 0.000 2.407 2522 V HA -0.243 3.876 4.120 -0.001 0.000 0.248 2522 V C 2.360 178.472 176.094 0.030 0.000 1.055 2522 V CA 1.909 64.241 62.300 0.054 0.000 1.049 2522 V CB -0.393 31.507 31.823 0.129 0.000 0.662 2522 V HN 0.245 nan 8.190 nan 0.000 0.455 2523 S N -0.020 115.676 115.700 -0.007 0.000 2.368 2523 S HA -0.096 4.374 4.470 -0.001 0.000 0.224 2523 S C 1.943 176.519 174.600 -0.039 0.000 1.029 2523 S CA 1.253 59.426 58.200 -0.045 0.000 0.988 2523 S CB -0.251 62.889 63.200 -0.099 0.000 0.838 2523 S HN 0.390 nan 8.310 nan 0.000 0.462 2524 I N 2.857 123.409 120.570 -0.029 0.000 2.208 2524 I HA -0.143 4.026 4.170 -0.001 0.000 0.245 2524 I C 1.909 178.023 176.117 -0.006 0.000 1.097 2524 I CA 1.215 62.503 61.300 -0.021 0.000 1.363 2524 I CB -1.600 36.390 38.000 -0.018 0.000 1.051 2524 I HN 0.263 nan 8.210 nan 0.000 0.413 2525 N N 0.996 119.697 118.700 0.002 0.000 2.223 2525 N HA -0.103 4.636 4.740 -0.001 0.000 0.185 2525 N C 1.984 177.500 175.510 0.010 0.000 1.016 2525 N CA 1.088 54.145 53.050 0.012 0.000 0.863 2525 N CB -0.175 38.322 38.487 0.017 0.000 0.983 2525 N HN 0.388 nan 8.380 nan 0.000 0.429 2526 I N 0.884 121.455 120.570 0.001 0.000 2.252 2526 I HA -0.192 3.977 4.170 -0.001 0.000 0.245 2526 I C 2.278 178.384 176.117 -0.018 0.000 1.102 2526 I CA 0.728 62.022 61.300 -0.010 0.000 1.385 2526 I CB -0.255 37.734 38.000 -0.018 0.000 1.064 2526 I HN 0.046 nan 8.210 nan 0.000 0.414 2527 A N 1.252 124.060 122.820 -0.020 0.000 1.883 2527 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 2527 A C 2.284 179.888 177.584 0.035 0.000 1.186 2527 A CA 1.542 53.573 52.037 -0.009 0.000 0.624 2527 A CB -0.828 18.163 19.000 -0.015 0.000 0.822 2527 A HN 0.363 nan 8.150 nan 0.000 0.444 2528 I N -0.517 120.077 120.570 0.040 0.000 2.163 2528 I HA -0.281 3.888 4.170 -0.001 0.000 0.243 2528 I C 2.456 178.616 176.117 0.072 0.000 1.085 2528 I CA 1.453 62.793 61.300 0.067 0.000 1.347 2528 I CB -0.281 37.749 38.000 0.050 0.000 1.044 2528 I HN 0.195 nan 8.210 nan 0.000 0.408 2529 K N 0.496 120.926 120.400 0.050 0.000 2.057 2529 K HA -0.107 4.213 4.320 -0.001 0.000 0.207 2529 K C 2.126 178.775 176.600 0.081 0.000 1.049 2529 K CA 1.184 57.505 56.287 0.057 0.000 0.931 2529 K CB -0.556 31.961 32.500 0.029 0.000 0.714 2529 K HN 0.228 nan 8.250 nan 0.000 0.440 2530 V N 1.256 121.196 119.914 0.044 0.000 2.515 2530 V HA -0.180 3.939 4.120 -0.001 0.000 0.250 2530 V C 2.236 178.407 176.094 0.128 0.000 1.058 2530 V CA 1.837 64.165 62.300 0.046 0.000 1.064 2530 V CB -0.640 31.151 31.823 -0.054 0.000 0.675 2530 V HN 0.348 nan 8.190 nan 0.000 0.461 2531 T N -0.121 114.511 114.554 0.131 0.000 2.746 2531 T HA -0.196 4.154 4.350 -0.001 0.000 0.267 2531 T C 1.796 176.649 174.700 0.254 0.000 1.039 2531 T CA 1.710 63.930 62.100 0.200 0.000 1.142 2531 T CB -0.215 68.799 68.868 0.244 0.000 0.866 2531 T HN 0.614 nan 8.240 nan 0.000 0.444 2532 E N -0.154 120.160 120.200 0.190 0.000 2.110 2532 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 2532 E C 1.902 178.597 176.600 0.158 0.000 0.988 2532 E CA 1.013 57.507 56.400 0.156 0.000 0.804 2532 E CB -0.228 29.533 29.700 0.102 0.000 0.745 2532 E HN 0.600 nan 8.360 nan 0.000 0.458 2533 Y N 1.362 121.693 120.300 0.052 0.000 2.200 2533 Y HA -0.151 4.398 4.550 -0.001 0.000 0.290 2533 Y C 1.947 177.856 175.900 0.016 0.000 1.137 2533 Y CA 1.213 59.329 58.100 0.026 0.000 1.163 2533 Y CB -0.053 38.409 38.460 0.003 0.000 0.988 2533 Y HN -0.078 nan 8.280 nan 0.000 0.518 2534 L N -1.255 120.040 121.223 0.120 0.000 2.046 2534 L HA -0.259 4.080 4.340 -0.001 0.000 0.208 2534 L C 2.098 178.866 176.870 -0.170 0.000 1.077 2534 L CA 1.602 56.423 54.840 -0.032 0.000 0.747 2534 L CB -0.791 41.247 42.059 -0.036 0.000 0.896 2534 L HN 0.247 nan 8.230 nan 0.000 0.432 2535 Y N -0.416 119.828 120.300 -0.094 0.000 2.200 2535 Y HA -0.191 4.359 4.550 -0.001 0.000 0.290 2535 Y C 2.626 178.431 175.900 -0.158 0.000 1.137 2535 Y CA 1.122 59.143 58.100 -0.131 0.000 1.163 2535 Y CB -0.336 38.059 38.460 -0.108 0.000 0.988 2535 Y HN 0.117 nan 8.280 nan 0.000 0.518 2536 A N -0.118 122.701 122.820 -0.001 0.000 2.070 2536 A HA -0.159 4.161 4.320 -0.001 0.000 0.220 2536 A C 1.510 178.992 177.584 -0.169 0.000 1.159 2536 A CA 1.637 53.624 52.037 -0.084 0.000 0.656 2536 A CB -0.409 18.533 19.000 -0.096 0.000 0.800 2536 A HN 0.448 nan 8.150 nan 0.000 0.453 2537 N N -0.433 118.109 118.700 -0.264 0.000 2.273 2537 N HA 0.152 4.891 4.740 -0.001 0.000 0.231 2537 N C -0.591 174.815 175.510 -0.173 0.000 1.134 2537 N CA 0.048 52.939 53.050 -0.264 0.000 0.856 2537 N CB 0.396 38.611 38.487 -0.454 0.000 1.068 2537 N HN 0.195 nan 8.380 nan 0.000 0.510 2541 F N 1.106 120.957 119.950 -0.165 0.000 2.683 2541 F HA 0.308 4.834 4.527 -0.001 0.000 0.306 2541 F C 1.236 177.101 175.800 0.108 0.000 1.102 2541 F CA -0.218 57.773 58.000 -0.016 0.000 1.244 2541 F CB 0.688 39.688 39.000 -0.000 0.000 1.029 2541 F HN 0.560 nan 8.300 nan 0.000 0.545 2542 R N 2.228 122.840 120.500 0.187 0.000 2.316 2542 R HA 0.151 4.490 4.340 -0.001 0.000 0.314 2542 R C -1.256 175.225 176.300 0.302 0.000 1.069 2542 R CA -0.026 56.224 56.100 0.250 0.000 0.959 2542 R CB -0.059 30.376 30.300 0.225 0.000 0.987 2542 R HN 0.361 nan 8.270 nan 0.000 0.446 2543 Y N 3.472 123.843 120.300 0.118 0.000 2.485 2543 Y HA 0.693 5.242 4.550 -0.001 0.000 0.345 2543 Y C -2.323 173.608 175.900 0.052 0.000 0.998 2543 Y CA -2.387 55.759 58.100 0.077 0.000 1.059 2543 Y CB 0.911 39.411 38.460 0.067 0.000 1.234 2543 Y HN 0.473 nan 8.280 nan 0.000 0.461 2544 P HA 0.139 nan 4.420 nan 0.000 0.276 2544 P C -1.182 176.096 177.300 -0.036 0.000 1.261 2544 P CA -0.575 62.573 63.100 0.080 0.000 0.800 2544 P CB 1.260 32.980 31.700 0.033 0.000 1.066 2545 E N 1.828 121.976 120.200 -0.086 0.000 2.299 2545 E HA 0.126 4.476 4.350 -0.001 0.000 0.272 2545 E C -1.703 174.632 176.600 -0.441 0.000 1.043 2545 E CA -1.788 54.379 56.400 -0.387 0.000 0.895 2545 E CB 0.202 29.660 29.700 -0.404 0.000 1.011 2545 E HN 0.256 nan 8.360 nan 0.000 0.432 2546 P HA -0.018 nan 4.420 nan 0.000 0.268 2546 P C -0.283 176.825 177.300 -0.319 0.000 1.205 2546 P CA 0.253 63.101 63.100 -0.419 0.000 0.771 2546 P CB 1.042 32.398 31.700 -0.573 0.000 0.858 2547 E N 0.850 120.942 120.200 -0.180 0.000 2.028 2547 E HA -0.130 4.219 4.350 -0.001 0.000 0.190 2547 E C 0.331 176.868 176.600 -0.105 0.000 0.984 2547 E CA 1.019 57.339 56.400 -0.132 0.000 0.800 2547 E CB -0.004 29.648 29.700 -0.080 0.000 0.758 2547 E HN 0.514 nan 8.360 nan 0.000 0.448 2548 D N 0.088 120.449 120.400 -0.064 0.000 2.467 2548 D HA 0.078 4.718 4.640 -0.001 0.000 0.220 2548 D C 0.166 176.472 176.300 0.010 0.000 1.103 2548 D CA -0.189 53.797 54.000 -0.024 0.000 0.886 2548 D CB 0.894 41.694 40.800 -0.001 0.000 1.025 2548 D HN -0.252 nan 8.370 nan 0.000 0.514 2549 K N 2.284 122.683 120.400 -0.002 0.000 2.147 2549 K HA -0.006 4.313 4.320 -0.001 0.000 0.205 2549 K C 1.810 178.484 176.600 0.123 0.000 1.049 2549 K CA 1.220 57.548 56.287 0.068 0.000 0.936 2549 K CB -0.170 32.357 32.500 0.045 0.000 0.722 2549 K HN 0.453 nan 8.250 nan 0.000 0.446 2550 A N 1.094 123.955 122.820 0.068 0.000 1.858 2550 A HA -0.242 4.077 4.320 -0.001 0.000 0.216 2550 A C 2.131 179.748 177.584 0.055 0.000 1.190 2550 A CA 1.957 54.027 52.037 0.054 0.000 0.617 2550 A CB -0.497 18.521 19.000 0.031 0.000 0.827 2550 A HN 0.290 nan 8.150 nan 0.000 0.443 2551 K N -1.876 118.558 120.400 0.056 0.000 2.057 2551 K HA -0.216 4.103 4.320 -0.001 0.000 0.207 2551 K C 1.951 178.595 176.600 0.073 0.000 1.049 2551 K CA 1.758 58.074 56.287 0.048 0.000 0.931 2551 K CB -0.402 32.124 32.500 0.042 0.000 0.714 2551 K HN 0.521 nan 8.250 nan 0.000 0.440 2552 Y N 1.147 121.439 120.300 -0.012 0.000 2.097 2552 Y HA -0.267 4.282 4.550 -0.001 0.000 0.282 2552 Y C 1.842 177.749 175.900 0.010 0.000 1.152 2552 Y CA 1.709 59.807 58.100 -0.004 0.000 1.136 2552 Y CB -0.469 37.985 38.460 -0.010 0.000 0.975 2552 Y HN -0.148 nan 8.280 nan 0.000 0.498 2553 V N 0.773 120.656 119.914 -0.053 0.000 2.244 2553 V HA -0.301 3.818 4.120 -0.001 0.000 0.244 2553 V C 2.235 178.260 176.094 -0.115 0.000 1.042 2553 V CA 2.424 64.646 62.300 -0.131 0.000 1.006 2553 V CB -0.665 31.161 31.823 0.006 0.000 0.641 2553 V HN 0.317 nan 8.190 nan 0.000 0.446 2554 K N -0.130 120.237 120.400 -0.054 0.000 2.211 2554 K HA -0.251 4.068 4.320 -0.001 0.000 0.204 2554 K C 2.131 178.692 176.600 -0.065 0.000 1.047 2554 K CA 1.690 57.948 56.287 -0.048 0.000 0.935 2554 K CB -0.168 32.317 32.500 -0.025 0.000 0.728 2554 K HN 0.527 nan 8.250 nan 0.000 0.452 2555 E N 0.813 120.964 120.200 -0.082 0.000 2.208 2555 E HA -0.107 4.242 4.350 -0.001 0.000 0.193 2555 E C 1.213 177.752 176.600 -0.102 0.000 0.988 2555 E CA 0.672 57.024 56.400 -0.081 0.000 0.828 2555 E CB 0.286 29.946 29.700 -0.067 0.000 0.763 2555 E HN 0.194 nan 8.360 nan 0.000 0.478 2556 R N 0.473 120.880 120.500 -0.155 0.000 2.427 2556 R HA 0.072 4.412 4.340 -0.001 0.000 0.262 2556 R C 0.041 176.305 176.300 -0.059 0.000 0.943 2556 R CA 0.187 56.208 56.100 -0.131 0.000 1.081 2556 R CB 0.676 30.832 30.300 -0.241 0.000 1.166 2556 R HN 0.056 nan 8.270 nan 0.000 0.534 2557 T N -1.863 112.663 114.554 -0.045 0.000 2.884 2557 T HA 0.076 4.426 4.350 -0.001 0.000 0.298 2557 T C -0.261 174.470 174.700 0.052 0.000 0.998 2557 T CA -0.773 61.330 62.100 0.005 0.000 1.124 2557 T CB 1.172 70.030 68.868 -0.016 0.000 0.931 2557 T HN 0.237 nan 8.240 nan 0.000 0.531 2558 W N 3.240 124.487 121.300 -0.089 0.000 2.216 2558 W HA 0.499 5.158 4.660 -0.001 0.000 0.326 2558 W C -0.011 176.451 176.519 -0.095 0.000 1.319 2558 W CA -0.691 56.602 57.345 -0.087 0.000 1.213 2558 W CB 0.513 29.911 29.460 -0.105 0.000 1.171 2558 W HN 0.616 nan 8.180 nan 0.000 0.557 2559 R N 2.003 122.004 120.500 -0.832 0.000 2.732 2559 R HA 0.247 4.586 4.340 -0.001 0.000 0.278 2559 R C 1.192 176.705 176.300 -1.312 0.000 0.976 2559 R CA 0.030 55.666 56.100 -0.774 0.000 0.963 2559 R CB 1.748 31.776 30.300 -0.454 0.000 1.150 2559 R HN 0.521 nan 8.270 nan 0.000 0.478 2560 S N -0.344 114.891 115.700 -0.774 0.000 2.527 2560 S HA 0.044 4.513 4.470 -0.001 0.000 0.222 2560 S C 0.126 174.428 174.600 -0.497 0.000 0.985 2560 S CA 0.038 57.878 58.200 -0.599 0.000 0.921 2560 S CB -0.088 62.987 63.200 -0.208 0.000 0.772 2560 S HN 0.486 nan 8.310 nan 0.000 0.529 2561 E N 1.488 121.425 120.200 -0.439 0.000 2.413 2561 E HA 0.239 4.588 4.350 -0.001 0.000 0.263 2561 E C -0.634 175.798 176.600 -0.280 0.000 1.015 2561 E CA -0.026 56.166 56.400 -0.347 0.000 0.916 2561 E CB 0.086 29.649 29.700 -0.228 0.000 0.947 2561 E HN 0.497 nan 8.360 nan 0.000 0.440 2562 Y N 1.668 121.886 120.300 -0.138 0.000 2.597 2562 Y HA -0.004 4.545 4.550 -0.001 0.000 0.336 2562 Y C 0.710 176.548 175.900 -0.103 0.000 1.216 2562 Y CA -0.026 58.003 58.100 -0.119 0.000 1.463 2562 Y CB 0.681 39.071 38.460 -0.115 0.000 1.303 2562 Y HN 0.375 nan 8.280 nan 0.000 0.576 2563 D N 0.706 121.170 120.400 0.106 0.000 2.272 2563 D HA 0.097 4.736 4.640 -0.001 0.000 0.247 2563 D C -0.676 175.652 176.300 0.046 0.000 0.990 2563 D CA -0.473 53.554 54.000 0.044 0.000 0.931 2563 D CB 1.906 42.726 40.800 0.033 0.000 1.195 2563 D HN 0.358 nan 8.370 nan 0.000 0.477 2564 S N 0.541 116.264 115.700 0.038 0.000 2.528 2564 S HA 0.168 4.638 4.470 -0.001 0.000 0.277 2564 S C 0.921 175.554 174.600 0.055 0.000 1.297 2564 S CA -0.435 57.790 58.200 0.042 0.000 1.052 2564 S CB 0.160 63.383 63.200 0.038 0.000 0.917 2564 S HN 0.330 nan 8.310 nan 0.000 0.492 2565 L N 4.938 126.204 121.223 0.072 0.000 2.700 2565 L HA 0.334 4.673 4.340 -0.001 0.000 0.234 2565 L C -0.012 176.900 176.870 0.069 0.000 1.156 2565 L CA -0.124 54.769 54.840 0.087 0.000 0.946 2565 L CB -0.060 42.086 42.059 0.144 0.000 1.216 2565 L HN 0.498 nan 8.230 nan 0.000 0.493 2566 L N 2.290 123.547 121.223 0.057 0.000 2.426 2566 L HA 0.200 4.539 4.340 -0.001 0.000 0.271 2566 L C -1.396 175.497 176.870 0.038 0.000 1.169 2566 L CA -1.502 53.363 54.840 0.041 0.000 0.836 2566 L CB 0.261 42.343 42.059 0.038 0.000 1.112 2566 L HN -0.010 nan 8.230 nan 0.000 0.465 2567 P HA -0.005 nan 4.420 nan 0.000 0.272 2567 P C -0.925 176.400 177.300 0.043 0.000 1.230 2567 P CA -0.457 62.658 63.100 0.025 0.000 0.788 2567 P CB 0.669 32.368 31.700 -0.002 0.000 0.949 2568 D N 1.182 121.625 120.400 0.072 0.000 2.416 2568 D HA 0.160 4.799 4.640 -0.001 0.000 0.240 2568 D C -0.610 175.767 176.300 0.129 0.000 1.250 2568 D CA -0.029 54.059 54.000 0.147 0.000 0.967 2568 D CB -0.136 40.795 40.800 0.218 0.000 1.059 2568 D HN -0.058 nan 8.370 nan 0.000 0.512 2569 V N 5.713 125.676 119.914 0.080 0.000 2.427 2569 V HA 0.475 4.595 4.120 -0.001 0.000 0.286 2569 V C -0.460 175.675 176.094 0.069 0.000 1.034 2569 V CA -0.525 61.742 62.300 -0.054 0.000 0.893 2569 V CB 0.792 32.580 31.823 -0.059 0.000 0.982 2569 V HN 0.407 nan 8.190 nan 0.000 0.452 2570 Y N 1.030 121.314 120.300 -0.027 0.000 2.565 2570 Y HA 0.649 5.198 4.550 -0.001 0.000 0.330 2570 Y C -0.756 175.137 175.900 -0.012 0.000 1.150 2570 Y CA -1.260 56.842 58.100 0.004 0.000 1.055 2570 Y CB 1.179 39.666 38.460 0.044 0.000 1.337 2570 Y HN 0.591 nan 8.280 nan 0.000 0.457 2571 E N 2.045 122.343 120.200 0.164 0.000 2.313 2571 E HA 0.248 4.597 4.350 -0.001 0.000 0.272 2571 E C -1.222 175.580 176.600 0.338 0.000 1.038 2571 E CA -0.684 55.782 56.400 0.110 0.000 0.863 2571 E CB 0.713 30.465 29.700 0.086 0.000 1.060 2571 E HN 0.617 nan 8.360 nan 0.000 0.402 2572 W N 3.311 124.665 121.300 0.091 0.000 2.261 2572 W HA 0.273 4.932 4.660 -0.001 0.000 0.323 2572 W C -1.574 174.987 176.519 0.069 0.000 1.243 2572 W CA -2.145 55.264 57.345 0.106 0.000 1.210 2572 W CB -0.410 29.090 29.460 0.067 0.000 1.149 2572 W HN 0.592 nan 8.180 nan 0.000 0.562 2573 P HA 0.000 nan 4.420 nan 0.000 0.216 2573 P CA 0.000 63.170 63.100 0.116 0.000 0.800 2573 P CB 0.000 31.727 31.700 0.046 0.000 0.726