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 1w21_1_C DATA FIRST_RESID 2088 DATA SEQUENCE RTFLNLTKPL cEVNSWHILS KDNAIRIGED AHILVTREPY LScDPQGcRM DATA SEQUENCE FALSQGTTLR GRHANGTIHD RSPFRALISW EMGQAPSPYN TRVEcIGWSS DATA SEQUENCE TScHDGMSRM SIcMSGPNNN ASAVVWYGGR PITEIPSWAG NILRTQESEc DATA SEQUENCE VcHKGVcPVV MTDGPANNRA ATKIIYFKEG KIQKIEELAG NAQHIEEcSc DATA SEQUENCE YGAGGVIKcI cRDNWKGANR PVITIDPEMM THTSKYLcSK VLTDTSRPND DATA SEQUENCE PTNGNcDAPI TGGSPDPGVK GFAFLDGENS WLGRTISKDS RSGYEMLKVP DATA SEQUENCE NAETDIQSGP ISNQVIVNNQ NWSGYSGAFI DYWANKEcFN PcFYVELIRG DATA SEQUENCE RPKESSVLWT SNSIVALcGS KKRLGSWSWH DGAEIIYFE 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 2088 R HA 0.000 nan 4.340 nan 0.000 0.208 2088 R C 0.000 176.309 176.300 0.016 0.000 0.893 2088 R CA 0.000 56.122 56.100 0.037 0.000 0.921 2088 R CB 0.000 30.308 30.300 0.014 0.000 0.687 2089 T N -1.162 113.432 114.554 0.067 0.000 2.838 2089 T HA 0.587 4.937 4.350 0.000 0.000 0.292 2089 T C 0.140 174.923 174.700 0.139 0.000 1.113 2089 T CA -0.755 61.355 62.100 0.017 0.000 1.008 2089 T CB 1.264 70.174 68.868 0.070 0.000 1.259 2089 T HN 0.237 nan 8.240 nan 0.000 0.520 2090 F N 1.131 121.170 119.950 0.149 0.000 2.578 2090 F HA 0.246 4.773 4.527 0.000 0.000 0.376 2090 F C 0.922 176.819 175.800 0.160 0.000 1.085 2090 F CA -1.106 56.986 58.000 0.153 0.000 1.260 2090 F CB 0.504 39.548 39.000 0.073 0.000 1.095 2090 F HN 0.436 nan 8.300 nan 0.000 0.573 2091 L N 5.598 127.086 121.223 0.442 0.000 2.455 2091 L HA 0.159 4.499 4.340 0.000 0.000 0.272 2091 L C -0.608 176.320 176.870 0.098 0.000 1.174 2091 L CA -0.008 54.972 54.840 0.233 0.000 0.869 2091 L CB -0.012 42.132 42.059 0.141 0.000 1.130 2091 L HN 0.431 nan 8.230 nan 0.000 0.474 2092 N N 5.318 124.081 118.700 0.105 0.000 2.362 2092 N HA 0.352 5.092 4.740 0.000 0.000 0.298 2092 N C -0.642 175.077 175.510 0.348 0.000 1.048 2092 N CA -0.385 52.747 53.050 0.137 0.000 0.858 2092 N CB 1.865 40.407 38.487 0.091 0.000 1.218 2092 N HN 0.628 nan 8.380 nan 0.000 0.488 2093 L N 1.499 123.077 121.223 0.591 0.000 2.727 2093 L HA 0.131 4.471 4.340 0.000 0.000 0.237 2093 L C 1.518 178.624 176.870 0.394 0.000 1.370 2093 L CA -0.071 55.037 54.840 0.446 0.000 1.248 2093 L CB -0.854 41.302 42.059 0.163 0.000 1.556 2093 L HN 0.637 nan 8.230 nan 0.000 0.420 2094 T N -3.781 110.961 114.554 0.314 0.000 3.148 2094 T HA 0.099 4.449 4.350 0.000 0.000 0.253 2094 T C 0.733 175.389 174.700 -0.074 0.000 1.134 2094 T CA 0.067 62.237 62.100 0.117 0.000 1.051 2094 T CB -0.003 68.922 68.868 0.095 0.000 0.959 2094 T HN 0.288 nan 8.240 nan 0.000 0.525 2095 K N 2.035 122.228 120.400 -0.344 0.000 2.221 2095 K HA 0.544 4.864 4.320 0.000 0.000 0.243 2095 K C -2.857 173.509 176.600 -0.391 0.000 0.968 2095 K CA -2.602 53.302 56.287 -0.638 0.000 0.846 2095 K CB 1.762 33.472 32.500 -1.316 0.000 1.141 2095 K HN 0.033 nan 8.250 nan 0.000 0.434 2096 P HA 0.213 nan 4.420 nan 0.000 0.280 2096 P C -0.576 176.731 177.300 0.011 0.000 1.272 2096 P CA -0.588 62.495 63.100 -0.029 0.000 0.819 2096 P CB 0.736 32.422 31.700 -0.023 0.000 1.122 2097 L N 0.548 121.845 121.223 0.123 0.000 2.416 2097 L HA 0.131 4.471 4.340 0.000 0.000 0.272 2097 L C 0.733 177.613 176.870 0.016 0.000 1.161 2097 L CA -0.412 54.492 54.840 0.107 0.000 0.845 2097 L CB 0.117 42.252 42.059 0.126 0.000 1.119 2097 L HN 0.411 nan 8.230 nan 0.000 0.464 2098 c N 2.190 120.771 118.600 -0.032 0.000 2.676 2098 c HA 0.025 4.595 4.570 0.000 0.000 0.416 2098 c C 0.910 174.958 174.090 -0.069 0.000 1.299 2098 c CA -0.612 55.679 56.329 -0.064 0.000 2.048 2098 c CB -0.135 42.317 42.510 -0.096 0.000 2.713 2098 c HN 0.746 nan 8.230 nan 0.000 0.624 2099 E N 1.019 121.189 120.200 -0.050 0.000 2.414 2099 E HA 0.300 4.651 4.350 0.000 0.000 0.263 2099 E C -1.170 175.379 176.600 -0.084 0.000 1.000 2099 E CA -0.012 56.370 56.400 -0.028 0.000 0.914 2099 E CB 0.541 30.232 29.700 -0.014 0.000 0.948 2099 E HN 0.523 nan 8.360 nan 0.000 0.444 2100 V N 5.439 125.328 119.914 -0.041 0.000 2.531 2100 V HA 0.217 4.337 4.120 0.000 0.000 0.301 2100 V C 0.123 176.277 176.094 0.101 0.000 1.034 2100 V CA -0.797 61.378 62.300 -0.208 0.000 0.865 2100 V CB 1.633 33.058 31.823 -0.663 0.000 0.995 2100 V HN 0.755 nan 8.190 nan 0.000 0.424 2101 N N 1.634 120.316 118.700 -0.031 0.000 2.239 2101 N HA 0.192 4.932 4.740 0.000 0.000 0.208 2101 N C 0.206 175.809 175.510 0.155 0.000 1.200 2101 N CA 0.207 53.375 53.050 0.197 0.000 0.895 2101 N CB 1.592 40.129 38.487 0.084 0.000 1.085 2101 N HN 0.586 nan 8.380 nan 0.000 0.500 2102 S N -0.788 114.757 115.700 -0.258 0.000 2.625 2102 S HA 0.594 5.064 4.470 0.000 0.000 0.271 2102 S C -2.189 172.002 174.600 -0.681 0.000 1.161 2102 S CA -0.611 57.445 58.200 -0.241 0.000 0.820 2102 S CB 0.687 63.865 63.200 -0.037 0.000 1.137 2102 S HN 0.139 nan 8.310 nan 0.000 0.470 2103 W N 2.465 123.735 121.300 -0.049 0.000 2.600 2103 W HA 0.484 5.144 4.660 0.000 0.000 0.325 2103 W C -0.050 176.488 176.519 0.032 0.000 1.034 2103 W CA -0.531 56.781 57.345 -0.055 0.000 1.226 2103 W CB 0.768 30.238 29.460 0.016 0.000 1.379 2103 W HN 0.843 nan 8.180 nan 0.000 0.466 2104 H N 0.652 119.804 119.070 0.137 0.000 2.502 2104 H HA 0.630 5.186 4.556 0.000 0.000 0.338 2104 H C -0.498 174.832 175.328 0.003 0.000 1.155 2104 H CA -1.241 54.857 56.048 0.083 0.000 1.237 2104 H CB 1.264 31.036 29.762 0.017 0.000 1.534 2104 H HN 0.389 nan 8.280 nan 0.000 0.523 2105 I N 3.387 123.963 120.570 0.009 0.000 2.598 2105 I HA -0.019 4.151 4.170 0.000 0.000 0.284 2105 I C 0.250 176.270 176.117 -0.161 0.000 1.140 2105 I CA -0.012 61.109 61.300 -0.298 0.000 1.420 2105 I CB 0.198 37.891 38.000 -0.512 0.000 1.387 2105 I HN 0.814 nan 8.210 nan 0.000 0.553 2106 L N 5.960 127.007 121.223 -0.293 0.000 2.347 2106 L HA 0.437 4.777 4.340 0.000 0.000 0.196 2106 L C 0.521 177.328 176.870 -0.106 0.000 1.072 2106 L CA 0.908 55.673 54.840 -0.125 0.000 0.817 2106 L CB -0.019 41.968 42.059 -0.120 0.000 1.029 2106 L HN 0.668 nan 8.230 nan 0.000 0.478 2107 S N -0.932 114.661 115.700 -0.179 0.000 2.567 2107 S HA 0.546 5.016 4.470 0.000 0.000 0.270 2107 S C -1.534 172.970 174.600 -0.160 0.000 1.152 2107 S CA -0.797 57.326 58.200 -0.128 0.000 0.835 2107 S CB 1.036 64.185 63.200 -0.085 0.000 1.115 2107 S HN 0.182 nan 8.310 nan 0.000 0.459 2108 K N 1.466 121.817 120.400 -0.083 0.000 2.561 2108 K HA 0.331 4.651 4.320 0.000 0.000 0.254 2108 K C -1.014 175.606 176.600 0.033 0.000 0.942 2108 K CA -0.469 55.798 56.287 -0.033 0.000 0.818 2108 K CB 1.118 33.604 32.500 -0.023 0.000 1.306 2108 K HN 0.682 nan 8.250 nan 0.000 0.435 2109 D N 2.602 123.042 120.400 0.066 0.000 2.417 2109 D HA -0.028 4.612 4.640 0.000 0.000 0.207 2109 D C -0.327 176.018 176.300 0.076 0.000 1.075 2109 D CA 0.086 54.141 54.000 0.092 0.000 0.851 2109 D CB 0.039 40.940 40.800 0.167 0.000 0.976 2109 D HN 0.658 nan 8.370 nan 0.000 0.505 2110 N N 0.657 119.407 118.700 0.082 0.000 2.716 2110 N HA -0.228 4.512 4.740 0.000 0.000 0.250 2110 N C 1.072 176.623 175.510 0.068 0.000 1.033 2110 N CA 0.725 53.826 53.050 0.085 0.000 0.727 2110 N CB -1.107 37.431 38.487 0.086 0.000 0.950 2110 N HN 0.467 nan 8.380 nan 0.000 0.541 2111 A N 0.386 123.237 122.820 0.050 0.000 1.902 2111 A HA -0.141 4.179 4.320 0.000 0.000 0.217 2111 A C 2.207 179.797 177.584 0.009 0.000 1.181 2111 A CA 1.208 53.243 52.037 -0.004 0.000 0.623 2111 A CB -0.063 18.913 19.000 -0.041 0.000 0.818 2111 A HN 0.346 nan 8.150 nan 0.000 0.443 2112 I N -0.510 120.092 120.570 0.054 0.000 2.252 2112 I HA -0.169 4.001 4.170 0.000 0.000 0.245 2112 I C 2.534 178.805 176.117 0.256 0.000 1.102 2112 I CA 1.298 62.658 61.300 0.099 0.000 1.385 2112 I CB -1.462 36.603 38.000 0.108 0.000 1.064 2112 I HN 0.344 nan 8.210 nan 0.000 0.414 2113 R N 0.725 121.354 120.500 0.216 0.000 2.094 2113 R HA -0.160 4.180 4.340 0.000 0.000 0.239 2113 R C 2.372 178.748 176.300 0.127 0.000 1.137 2113 R CA 1.584 57.806 56.100 0.204 0.000 0.943 2113 R CB -0.332 30.060 30.300 0.153 0.000 0.850 2113 R HN 0.317 nan 8.270 nan 0.000 0.433 2114 I N -0.558 120.058 120.570 0.075 0.000 2.286 2114 I HA -0.118 4.053 4.170 0.000 0.000 0.245 2114 I C 2.407 178.528 176.117 0.007 0.000 1.104 2114 I CA 1.255 62.568 61.300 0.022 0.000 1.397 2114 I CB -0.513 37.486 38.000 -0.002 0.000 1.072 2114 I HN 0.318 nan 8.210 nan 0.000 0.417 2115 G N 0.162 108.974 108.800 0.021 0.000 2.535 2115 G HA2 -0.239 3.722 3.960 0.000 0.000 0.218 2115 G HA3 -0.239 3.722 3.960 0.000 0.000 0.218 2115 G C 1.517 176.465 174.900 0.079 0.000 1.122 2115 G CA 0.234 45.337 45.100 0.006 0.000 0.769 2115 G HN 0.316 nan 8.290 nan 0.000 0.549 2116 E N 0.610 120.878 120.200 0.114 0.000 2.204 2116 E HA -0.150 4.200 4.350 0.000 0.000 0.195 2116 E C 1.474 177.992 176.600 -0.137 0.000 0.990 2116 E CA 1.550 57.881 56.400 -0.116 0.000 0.821 2116 E CB 0.101 29.598 29.700 -0.338 0.000 0.750 2116 E HN 0.526 nan 8.360 nan 0.000 0.477 2117 D N -1.772 118.579 120.400 -0.083 0.000 2.335 2117 D HA 0.199 4.839 4.640 0.000 0.000 0.284 2117 D C -0.192 176.052 176.300 -0.093 0.000 1.096 2117 D CA 0.452 54.398 54.000 -0.091 0.000 0.844 2117 D CB 0.577 41.309 40.800 -0.112 0.000 1.454 2117 D HN 0.146 nan 8.370 nan 0.000 0.526 2118 A N -0.276 122.491 122.820 -0.090 0.000 2.256 2118 A HA 0.512 4.832 4.320 0.000 0.000 0.318 2118 A C -0.729 176.812 177.584 -0.071 0.000 1.103 2118 A CA -0.455 51.492 52.037 -0.150 0.000 0.860 2118 A CB 0.245 19.176 19.000 -0.115 0.000 1.182 2118 A HN 0.385 nan 8.150 nan 0.000 0.501 2119 H N 0.789 119.825 119.070 -0.057 0.000 3.118 2119 H HA 0.238 4.794 4.556 0.000 0.000 0.266 2119 H C -0.678 174.516 175.328 -0.223 0.000 1.465 2119 H CA -0.419 55.553 56.048 -0.127 0.000 1.460 2119 H CB -0.145 29.552 29.762 -0.110 0.000 1.661 2119 H HN 0.239 nan 8.280 nan 0.000 0.516 2120 I N 4.041 124.555 120.570 -0.094 0.000 2.354 2120 I HA 0.107 4.277 4.170 0.000 0.000 0.292 2120 I C 0.374 176.351 176.117 -0.233 0.000 0.989 2120 I CA -0.736 60.444 61.300 -0.200 0.000 1.188 2120 I CB 1.422 39.315 38.000 -0.179 0.000 1.342 2120 I HN 0.451 nan 8.210 nan 0.000 0.457 2121 L N 5.712 126.758 121.223 -0.295 0.000 2.453 2121 L HA 0.177 4.517 4.340 0.000 0.000 0.272 2121 L C 0.230 176.954 176.870 -0.242 0.000 1.182 2121 L CA -0.358 54.324 54.840 -0.265 0.000 0.858 2121 L CB 0.635 42.520 42.059 -0.291 0.000 1.120 2121 L HN 0.244 nan 8.230 nan 0.000 0.474 2122 V N 2.506 122.304 119.914 -0.193 0.000 2.715 2122 V HA 0.256 4.376 4.120 0.000 0.000 0.299 2122 V C 0.643 176.673 176.094 -0.106 0.000 1.054 2122 V CA 0.082 62.284 62.300 -0.164 0.000 1.077 2122 V CB 1.093 32.847 31.823 -0.114 0.000 0.972 2122 V HN 1.036 nan 8.190 nan 0.000 0.484 2123 T N 3.139 117.649 114.554 -0.073 0.000 2.696 2123 T HA 0.816 5.167 4.350 0.000 0.000 0.291 2123 T C -0.582 174.125 174.700 0.012 0.000 1.095 2123 T CA -1.007 61.081 62.100 -0.020 0.000 1.026 2123 T CB 2.553 71.413 68.868 -0.012 0.000 1.390 2123 T HN 0.608 nan 8.240 nan 0.000 0.513 2124 R N -0.813 119.706 120.500 0.032 0.000 2.789 2124 R HA 0.384 4.724 4.340 0.000 0.000 0.279 2124 R C -1.342 174.984 176.300 0.043 0.000 1.010 2124 R CA -0.755 55.353 56.100 0.013 0.000 0.855 2124 R CB 0.840 31.119 30.300 -0.035 0.000 1.312 2124 R HN 0.898 nan 8.270 nan 0.000 0.479 2125 E N 0.017 120.221 120.200 0.006 0.000 2.252 2125 E HA -0.157 4.193 4.350 0.000 0.000 0.218 2125 E C -2.488 174.256 176.600 0.239 0.000 1.253 2125 E CA 0.651 57.136 56.400 0.141 0.000 0.705 2125 E CB -1.105 28.702 29.700 0.179 0.000 1.172 2125 E HN 0.246 nan 8.360 nan 0.000 0.369 2126 P HA 0.386 nan 4.420 nan 0.000 0.279 2126 P C -0.530 176.631 177.300 -0.232 0.000 1.276 2126 P CA -0.221 62.861 63.100 -0.031 0.000 0.801 2126 P CB 0.748 32.400 31.700 -0.080 0.000 1.127 2127 Y N -3.314 116.573 120.300 -0.689 0.000 2.925 2127 Y HA 0.576 5.126 4.550 0.000 0.000 0.349 2127 Y C -1.909 173.571 175.900 -0.701 0.000 1.342 2127 Y CA -1.336 56.105 58.100 -1.097 0.000 1.093 2127 Y CB 0.143 38.272 38.460 -0.551 0.000 1.571 2127 Y HN 0.099 nan 8.280 nan 0.000 0.438 2128 L N 1.481 122.371 121.223 -0.554 0.000 2.354 2128 L HA 0.826 5.166 4.340 0.000 0.000 0.264 2128 L C -0.627 175.968 176.870 -0.459 0.000 1.008 2128 L CA -0.972 53.448 54.840 -0.700 0.000 0.819 2128 L CB 2.034 43.256 42.059 -1.396 0.000 1.339 2128 L HN 0.814 nan 8.230 nan 0.000 0.420 2129 S N 0.064 115.616 115.700 -0.248 0.000 2.536 2129 S HA 0.664 5.134 4.470 0.000 0.000 0.271 2129 S C -0.954 173.699 174.600 0.089 0.000 1.134 2129 S CA -0.353 57.809 58.200 -0.063 0.000 0.897 2129 S CB 1.475 64.471 63.200 -0.340 0.000 1.094 2129 S HN 0.674 nan 8.310 nan 0.000 0.473 2130 c N 2.430 121.170 118.600 0.233 0.000 2.531 2130 c HA 0.965 5.535 4.570 0.000 0.000 0.369 2130 c C -0.486 173.589 174.090 -0.024 0.000 1.258 2130 c CA -0.433 56.014 56.329 0.198 0.000 1.876 2130 c CB 1.145 43.891 42.510 0.394 0.000 2.256 2130 c HN 1.037 nan 8.230 nan 0.000 0.510 2131 D N -1.488 118.616 120.400 -0.494 0.000 2.759 2131 D HA 0.361 5.001 4.640 0.000 0.000 0.321 2131 D C -2.715 172.782 176.300 -1.340 0.000 1.267 2131 D CA -1.140 52.008 54.000 -1.421 0.000 0.933 2131 D CB -0.051 40.022 40.800 -1.212 0.000 1.431 2131 D HN 0.070 nan 8.370 nan 0.000 0.504 2132 P HA -0.092 nan 4.420 nan 0.000 0.221 2132 P C 0.794 177.904 177.300 -0.316 0.000 1.145 2132 P CA 1.420 64.059 63.100 -0.769 0.000 0.795 2132 P CB 0.244 31.614 31.700 -0.550 0.000 0.775 2133 Q N -1.687 117.921 119.800 -0.320 0.000 2.384 2133 Q HA 0.363 4.703 4.340 0.000 0.000 0.207 2133 Q C 1.024 176.960 176.000 -0.107 0.000 0.904 2133 Q CA 0.480 56.184 55.803 -0.166 0.000 0.933 2133 Q CB 0.488 29.130 28.738 -0.160 0.000 1.077 2133 Q HN 0.177 nan 8.270 nan 0.000 0.522 2134 G N -1.794 106.938 108.800 -0.115 0.000 2.356 2134 G HA2 0.139 4.099 3.960 0.000 0.000 0.266 2134 G HA3 0.139 4.099 3.960 0.000 0.000 0.266 2134 G C -1.451 173.426 174.900 -0.038 0.000 1.312 2134 G CA -0.531 44.543 45.100 -0.044 0.000 0.922 2134 G HN 0.035 nan 8.290 nan 0.000 0.480 2135 c N -0.105 118.480 118.600 -0.024 0.000 2.561 2135 c HA 0.936 5.506 4.570 0.000 0.000 0.319 2135 c C 0.381 174.404 174.090 -0.111 0.000 1.198 2135 c CA -0.645 55.668 56.329 -0.027 0.000 1.665 2135 c CB 1.354 43.878 42.510 0.022 0.000 2.258 2135 c HN 0.814 nan 8.230 nan 0.000 0.493 2136 R N 1.214 121.641 120.500 -0.122 0.000 2.854 2136 R HA 0.724 5.064 4.340 0.000 0.000 0.271 2136 R C -0.874 175.164 176.300 -0.437 0.000 0.996 2136 R CA -0.620 55.303 56.100 -0.294 0.000 0.961 2136 R CB 1.442 31.539 30.300 -0.338 0.000 1.182 2136 R HN 0.624 nan 8.270 nan 0.000 0.479 2137 M N 1.387 120.455 119.600 -0.886 0.000 2.409 2137 M HA 0.451 4.931 4.480 0.000 0.000 0.329 2137 M C -1.112 174.274 176.300 -1.524 0.000 1.180 2137 M CA -0.125 54.479 55.300 -1.160 0.000 1.053 2137 M CB 0.916 32.599 32.600 -1.529 0.000 1.586 2137 M HN 0.327 nan 8.290 nan 0.000 0.461 2138 F N 0.550 119.715 119.950 -1.307 0.000 2.599 2138 F HA 0.860 5.387 4.527 0.000 0.000 0.311 2138 F C -0.236 175.122 175.800 -0.736 0.000 1.076 2138 F CA -0.691 56.674 58.000 -1.057 0.000 0.937 2138 F CB 2.149 40.251 39.000 -1.496 0.000 1.282 2138 F HN 0.643 nan 8.300 nan 0.000 0.460 2139 A N 1.402 124.166 122.820 -0.093 0.000 2.586 2139 A HA 0.684 5.004 4.320 0.000 0.000 0.291 2139 A C -2.189 175.468 177.584 0.121 0.000 1.062 2139 A CA -0.790 51.301 52.037 0.089 0.000 0.666 2139 A CB 1.070 20.230 19.000 0.267 0.000 1.281 2139 A HN 0.678 nan 8.150 nan 0.000 0.421 2140 L N 2.123 123.421 121.223 0.124 0.000 2.268 2140 L HA 0.389 4.729 4.340 0.000 0.000 0.289 2140 L C 1.021 177.929 176.870 0.064 0.000 1.064 2140 L CA -0.273 54.628 54.840 0.102 0.000 0.824 2140 L CB 1.176 43.313 42.059 0.129 0.000 1.202 2140 L HN 0.775 nan 8.230 nan 0.000 0.433 2141 S N 1.975 117.693 115.700 0.031 0.000 2.576 2141 S HA 0.040 4.510 4.470 0.000 0.000 0.272 2141 S C 0.838 175.456 174.600 0.030 0.000 1.352 2141 S CA -0.203 57.992 58.200 -0.008 0.000 1.021 2141 S CB 0.754 63.928 63.200 -0.045 0.000 0.887 2141 S HN 0.622 nan 8.310 nan 0.000 0.542 2142 Q N 1.493 121.306 119.800 0.021 0.000 2.219 2142 Q HA 0.195 4.535 4.340 0.000 0.000 0.209 2142 Q C 1.030 177.081 176.000 0.085 0.000 0.854 2142 Q CA 0.577 56.426 55.803 0.077 0.000 0.960 2142 Q CB 0.582 29.366 28.738 0.075 0.000 1.116 2142 Q HN 1.148 nan 8.270 nan 0.000 0.500 2143 G N 1.942 110.755 108.800 0.021 0.000 2.272 2143 G HA2 -0.244 3.716 3.960 0.000 0.000 0.280 2143 G HA3 -0.244 3.716 3.960 0.000 0.000 0.280 2143 G C 0.028 174.876 174.900 -0.086 0.000 1.067 2143 G CA 0.979 46.071 45.100 -0.013 0.000 0.902 2143 G HN 0.354 nan 8.290 nan 0.000 0.500 2144 T N -1.398 113.102 114.554 -0.090 0.000 2.827 2144 T HA 0.675 5.026 4.350 0.000 0.000 0.328 2144 T C 0.280 174.908 174.700 -0.119 0.000 1.598 2144 T CA 0.885 62.926 62.100 -0.097 0.000 1.043 2144 T CB 0.979 69.837 68.868 -0.018 0.000 1.447 2144 T HN 1.354 nan 8.240 nan 0.000 0.491 2145 T N 1.583 116.064 114.554 -0.122 0.000 2.874 2145 T HA 0.478 4.828 4.350 0.000 0.000 0.281 2145 T C 1.392 175.996 174.700 -0.159 0.000 0.994 2145 T CA -0.659 61.352 62.100 -0.147 0.000 1.015 2145 T CB 0.931 69.721 68.868 -0.130 0.000 1.028 2145 T HN 0.474 nan 8.240 nan 0.000 0.523 2146 L N 0.204 121.294 121.223 -0.223 0.000 2.093 2146 L HA 0.125 4.465 4.340 0.000 0.000 0.208 2146 L C 2.402 179.097 176.870 -0.292 0.000 1.085 2146 L CA 1.579 56.185 54.840 -0.390 0.000 0.755 2146 L CB -0.636 41.145 42.059 -0.464 0.000 0.904 2146 L HN 0.533 nan 8.230 nan 0.000 0.435 2147 R N 0.024 120.468 120.500 -0.094 0.000 2.300 2147 R HA 0.277 4.617 4.340 0.000 0.000 0.199 2147 R C 0.750 177.060 176.300 0.017 0.000 0.920 2147 R CA 0.497 56.608 56.100 0.017 0.000 1.046 2147 R CB -0.735 29.596 30.300 0.051 0.000 0.984 2147 R HN 0.406 nan 8.270 nan 0.000 0.493 2148 G N 0.046 108.837 108.800 -0.015 0.000 2.544 2148 G HA2 0.008 3.968 3.960 0.000 0.000 0.242 2148 G HA3 0.008 3.968 3.960 0.000 0.000 0.242 2148 G C 0.581 175.490 174.900 0.016 0.000 1.247 2148 G CA -0.470 44.633 45.100 0.006 0.000 0.840 2148 G HN 0.174 nan 8.290 nan 0.000 0.578 2149 R N -0.523 119.962 120.500 -0.026 0.000 2.237 2149 R HA -0.045 4.295 4.340 0.000 0.000 0.219 2149 R C 1.471 177.681 176.300 -0.151 0.000 1.080 2149 R CA 0.786 56.826 56.100 -0.100 0.000 0.995 2149 R CB -0.038 30.153 30.300 -0.182 0.000 0.875 2149 R HN 0.648 nan 8.270 nan 0.000 0.462 2150 H N -0.737 118.318 119.070 -0.024 0.000 2.547 2150 H HA 0.149 4.705 4.556 0.000 0.000 0.266 2150 H C 1.689 177.019 175.328 0.004 0.000 0.988 2150 H CA 0.636 56.666 56.048 -0.031 0.000 1.147 2150 H CB 0.389 30.101 29.762 -0.083 0.000 1.365 2150 H HN 0.245 nan 8.280 nan 0.000 0.589 2151 A N 1.520 124.404 122.820 0.106 0.000 2.015 2151 A HA -0.153 4.167 4.320 0.000 0.000 0.219 2151 A C 1.406 179.105 177.584 0.191 0.000 1.163 2151 A CA 0.305 52.408 52.037 0.110 0.000 0.646 2151 A CB -0.513 18.498 19.000 0.018 0.000 0.806 2151 A HN 0.271 nan 8.150 nan 0.000 0.448 2152 N N 0.245 119.033 118.700 0.146 0.000 2.434 2152 N HA 0.321 5.062 4.740 0.000 0.000 0.268 2152 N C 0.836 176.401 175.510 0.090 0.000 1.256 2152 N CA 1.402 54.521 53.050 0.115 0.000 0.914 2152 N CB 0.036 38.556 38.487 0.055 0.000 1.088 2152 N HN 0.668 nan 8.380 nan 0.000 0.478 2153 G N 2.071 110.923 108.800 0.087 0.000 2.179 2153 G HA2 -0.271 3.689 3.960 0.000 0.000 0.220 2153 G HA3 -0.271 3.689 3.960 0.000 0.000 0.220 2153 G C 0.710 175.679 174.900 0.116 0.000 0.990 2153 G CA 0.394 45.537 45.100 0.072 0.000 0.646 2153 G HN 0.788 nan 8.290 nan 0.000 0.517 2154 T N -0.831 113.808 114.554 0.143 0.000 3.215 2154 T HA 0.307 4.658 4.350 0.000 0.000 0.254 2154 T C 2.144 176.918 174.700 0.123 0.000 1.149 2154 T CA 0.774 62.964 62.100 0.151 0.000 1.042 2154 T CB 0.190 69.149 68.868 0.152 0.000 0.966 2154 T HN 0.544 nan 8.240 nan 0.000 0.534 2155 I N 0.615 121.244 120.570 0.098 0.000 2.361 2155 I HA -0.108 4.062 4.170 0.000 0.000 0.251 2155 I C 1.087 177.254 176.117 0.083 0.000 1.133 2155 I CA 0.719 62.055 61.300 0.059 0.000 1.413 2155 I CB -0.182 37.829 38.000 0.018 0.000 1.073 2155 I HN 0.293 nan 8.210 nan 0.000 0.424 2156 H N 1.624 120.694 119.070 0.001 0.000 3.034 2156 H HA -0.056 4.500 4.556 0.000 0.000 0.324 2156 H C 0.837 176.149 175.328 -0.026 0.000 1.015 2156 H CA 0.533 56.570 56.048 -0.018 0.000 1.429 2156 H CB 0.484 30.245 29.762 -0.002 0.000 1.429 2156 H HN 0.201 nan 8.280 nan 0.000 0.585 2157 D N 4.207 124.388 120.400 -0.365 0.000 2.234 2157 D HA -0.021 4.619 4.640 0.000 0.000 0.205 2157 D C 0.100 176.217 176.300 -0.305 0.000 0.962 2157 D CA 0.996 54.837 54.000 -0.266 0.000 0.855 2157 D CB 0.360 41.003 40.800 -0.261 0.000 0.951 2157 D HN 0.495 nan 8.370 nan 0.000 0.500 2158 R N -0.005 120.150 120.500 -0.576 0.000 2.513 2158 R HA 0.518 4.858 4.340 0.000 0.000 0.301 2158 R C -0.543 175.621 176.300 -0.227 0.000 0.968 2158 R CA -0.423 55.361 56.100 -0.527 0.000 0.872 2158 R CB 2.268 31.881 30.300 -1.143 0.000 1.177 2158 R HN -0.043 nan 8.270 nan 0.000 0.444 2159 S N 1.006 116.707 115.700 0.002 0.000 2.625 2159 S HA 0.456 4.926 4.470 0.000 0.000 0.271 2159 S C -2.600 171.878 174.600 -0.203 0.000 1.161 2159 S CA -1.285 56.843 58.200 -0.120 0.000 0.820 2159 S CB 2.193 65.320 63.200 -0.121 0.000 1.137 2159 S HN 0.271 nan 8.310 nan 0.000 0.470 2160 P HA 0.276 nan 4.420 nan 0.000 0.247 2160 P C 0.017 177.109 177.300 -0.346 0.000 1.225 2160 P CA 0.428 63.253 63.100 -0.458 0.000 0.768 2160 P CB -0.397 31.018 31.700 -0.475 0.000 1.020 2161 F N -1.227 118.772 119.950 0.082 0.000 2.695 2161 F HA 0.237 4.764 4.527 0.000 0.000 0.303 2161 F C 1.280 177.099 175.800 0.033 0.000 1.091 2161 F CA -0.700 57.322 58.000 0.036 0.000 1.300 2161 F CB 0.149 39.160 39.000 0.019 0.000 1.071 2161 F HN -0.304 nan 8.300 nan 0.000 0.578 2162 R N 1.461 122.044 120.500 0.139 0.000 2.500 2162 R HA 0.800 5.140 4.340 0.000 0.000 0.277 2162 R C -0.509 175.822 176.300 0.051 0.000 1.026 2162 R CA -0.475 55.692 56.100 0.111 0.000 1.058 2162 R CB 1.411 31.801 30.300 0.150 0.000 1.078 2162 R HN 0.101 nan 8.270 nan 0.000 0.509 2163 A N 1.667 124.504 122.820 0.028 0.000 2.604 2163 A HA 0.375 4.695 4.320 0.000 0.000 0.295 2163 A C -1.674 175.903 177.584 -0.012 0.000 1.067 2163 A CA -0.785 51.240 52.037 -0.019 0.000 0.683 2163 A CB 1.400 20.374 19.000 -0.043 0.000 1.281 2163 A HN 0.543 nan 8.150 nan 0.000 0.407 2164 L N 2.439 123.640 121.223 -0.037 0.000 2.331 2164 L HA 0.752 5.093 4.340 0.000 0.000 0.278 2164 L C -0.320 176.522 176.870 -0.048 0.000 1.106 2164 L CA 0.126 54.967 54.840 0.001 0.000 0.824 2164 L CB 0.261 42.337 42.059 0.028 0.000 1.142 2164 L HN 0.594 nan 8.230 nan 0.000 0.443 2165 I N 1.800 122.357 120.570 -0.022 0.000 2.730 2165 I HA 0.818 4.988 4.170 0.000 0.000 0.298 2165 I C -0.535 175.503 176.117 -0.132 0.000 1.089 2165 I CA -0.612 60.657 61.300 -0.050 0.000 1.041 2165 I CB 2.180 40.183 38.000 0.005 0.000 1.235 2165 I HN 0.656 nan 8.210 nan 0.000 0.423 2166 S N 3.193 118.713 115.700 -0.300 0.000 2.568 2166 S HA 0.889 5.359 4.470 0.000 0.000 0.293 2166 S C -1.264 173.196 174.600 -0.232 0.000 1.089 2166 S CA -0.582 57.167 58.200 -0.752 0.000 0.945 2166 S CB 1.526 63.910 63.200 -1.359 0.000 1.077 2166 S HN 1.032 nan 8.310 nan 0.000 0.485 2167 W N -0.070 120.929 121.300 -0.503 0.000 3.074 2167 W HA 0.641 5.301 4.660 0.000 0.000 0.332 2167 W C -1.012 175.350 176.519 -0.261 0.000 1.253 2167 W CA -0.934 56.224 57.345 -0.312 0.000 1.180 2167 W CB 0.440 29.755 29.460 -0.242 0.000 1.445 2167 W HN 0.792 nan 8.180 nan 0.000 0.573 2168 E N 2.883 123.089 120.200 0.011 0.000 2.480 2168 E HA 0.007 4.357 4.350 0.000 0.000 0.258 2168 E C 0.327 176.869 176.600 -0.097 0.000 0.984 2168 E CA -0.313 56.046 56.400 -0.067 0.000 0.930 2168 E CB 0.506 30.205 29.700 -0.001 0.000 0.936 2168 E HN 0.636 nan 8.360 nan 0.000 0.466 2169 M N 4.755 124.238 119.600 -0.194 0.000 2.255 2169 M HA -0.066 4.414 4.480 0.000 0.000 0.356 2169 M C 0.972 177.239 176.300 -0.055 0.000 1.338 2169 M CA 1.947 57.130 55.300 -0.194 0.000 0.962 2169 M CB -0.006 32.496 32.600 -0.163 0.000 1.877 2169 M HN 0.873 nan 8.290 nan 0.000 0.463 2170 G N 2.778 111.574 108.800 -0.007 0.000 2.349 2170 G HA2 -0.212 3.748 3.960 0.000 0.000 0.213 2170 G HA3 -0.212 3.748 3.960 0.000 0.000 0.213 2170 G C -0.094 174.872 174.900 0.111 0.000 1.044 2170 G CA 0.070 45.196 45.100 0.043 0.000 0.633 2170 G HN 0.690 nan 8.290 nan 0.000 0.506 2171 Q N 1.036 120.940 119.800 0.173 0.000 2.417 2171 Q HA 0.594 4.934 4.340 0.000 0.000 0.241 2171 Q C 0.531 176.642 176.000 0.185 0.000 1.008 2171 Q CA 0.160 56.061 55.803 0.163 0.000 0.901 2171 Q CB 1.039 29.865 28.738 0.146 0.000 1.259 2171 Q HN 0.844 nan 8.270 nan 0.000 0.489 2172 A N 2.656 125.453 122.820 -0.038 0.000 2.316 2172 A HA 0.446 4.766 4.320 0.000 0.000 0.284 2172 A C -2.202 175.011 177.584 -0.618 0.000 1.115 2172 A CA -1.523 50.389 52.037 -0.209 0.000 0.812 2172 A CB 0.066 18.978 19.000 -0.147 0.000 1.064 2172 A HN 0.461 nan 8.150 nan 0.000 0.489 2173 P HA 0.202 nan 4.420 nan 0.000 0.287 2173 P C -0.388 176.497 177.300 -0.692 0.000 1.307 2173 P CA 0.143 62.431 63.100 -1.353 0.000 0.777 2173 P CB 0.985 31.529 31.700 -1.925 0.000 0.883 2174 S N 3.523 118.905 115.700 -0.531 0.000 2.689 2174 S HA 0.618 5.088 4.470 0.000 0.000 0.306 2174 S C -2.189 172.119 174.600 -0.487 0.000 1.104 2174 S CA -1.880 56.050 58.200 -0.450 0.000 0.973 2174 S CB 1.340 64.323 63.200 -0.361 0.000 1.121 2174 S HN 0.038 nan 8.310 nan 0.000 0.523 2175 P HA 0.090 nan 4.420 nan 0.000 0.234 2175 P C -0.057 177.006 177.300 -0.395 0.000 1.167 2175 P CA 0.950 63.718 63.100 -0.553 0.000 0.763 2175 P CB -0.316 31.003 31.700 -0.634 0.000 0.835 2176 Y N -1.391 118.857 120.300 -0.086 0.000 2.462 2176 Y HA 0.171 4.721 4.550 0.000 0.000 0.253 2176 Y C 1.660 177.518 175.900 -0.069 0.000 1.095 2176 Y CA -0.356 57.705 58.100 -0.065 0.000 1.283 2176 Y CB -0.103 38.329 38.460 -0.046 0.000 1.138 2176 Y HN 0.049 nan 8.280 nan 0.000 0.522 2177 N N 0.157 118.853 118.700 -0.006 0.000 2.197 2177 N HA 0.032 4.772 4.740 0.000 0.000 0.228 2177 N C -0.478 175.016 175.510 -0.027 0.000 1.212 2177 N CA 0.131 53.175 53.050 -0.010 0.000 0.883 2177 N CB -0.108 38.369 38.487 -0.017 0.000 1.107 2177 N HN 0.060 nan 8.380 nan 0.000 0.519 2178 T N -1.831 112.681 114.554 -0.070 0.000 2.856 2178 T HA 0.472 4.822 4.350 0.000 0.000 0.283 2178 T C -0.366 174.295 174.700 -0.065 0.000 1.008 2178 T CA -0.925 61.141 62.100 -0.055 0.000 0.997 2178 T CB 2.497 71.283 68.868 -0.137 0.000 0.992 2178 T HN 0.148 nan 8.240 nan 0.000 0.454 2179 R N 2.007 122.461 120.500 -0.077 0.000 2.346 2179 R HA 0.555 4.895 4.340 0.000 0.000 0.311 2179 R C -1.088 175.128 176.300 -0.141 0.000 0.983 2179 R CA -0.689 55.345 56.100 -0.111 0.000 0.880 2179 R CB 1.030 31.250 30.300 -0.134 0.000 1.100 2179 R HN 0.597 nan 8.270 nan 0.000 0.453 2180 V N 5.604 125.430 119.914 -0.147 0.000 2.389 2180 V HA 0.047 4.167 4.120 0.000 0.000 0.264 2180 V C 0.911 176.833 176.094 -0.287 0.000 1.049 2180 V CA -0.031 62.159 62.300 -0.184 0.000 0.932 2180 V CB 1.230 32.955 31.823 -0.163 0.000 1.011 2180 V HN 0.879 nan 8.190 nan 0.000 0.475 2181 E N 2.855 122.876 120.200 -0.299 0.000 2.086 2181 E HA 0.035 4.385 4.350 0.000 0.000 0.190 2181 E C 0.535 176.671 176.600 -0.773 0.000 0.975 2181 E CA 1.065 57.234 56.400 -0.386 0.000 0.813 2181 E CB 0.387 29.992 29.700 -0.159 0.000 0.768 2181 E HN 0.919 nan 8.360 nan 0.000 0.457 2182 c N -1.271 116.976 118.600 -0.589 0.000 3.231 2182 c HA 0.521 5.091 4.570 0.000 0.000 0.343 2182 c C -1.006 172.931 174.090 -0.255 0.000 1.349 2182 c CA -1.395 54.550 56.329 -0.639 0.000 1.209 2182 c CB 0.606 42.746 42.510 -0.616 0.000 1.475 2182 c HN 0.015 nan 8.230 nan 0.000 0.460 2183 I N 2.290 122.791 120.570 -0.116 0.000 2.359 2183 I HA 0.821 4.991 4.170 0.000 0.000 0.294 2183 I C 0.805 176.849 176.117 -0.122 0.000 0.987 2183 I CA 1.017 62.273 61.300 -0.073 0.000 1.225 2183 I CB 0.504 38.497 38.000 -0.011 0.000 1.366 2183 I HN 1.532 nan 8.210 nan 0.000 0.466 2184 G N 6.265 114.975 108.800 -0.149 0.000 2.356 2184 G HA2 0.075 4.035 3.960 0.000 0.000 0.288 2184 G HA3 0.075 4.035 3.960 0.000 0.000 0.288 2184 G C -1.006 173.784 174.900 -0.184 0.000 1.302 2184 G CA -0.496 44.399 45.100 -0.342 0.000 0.887 2184 G HN 0.656 nan 8.290 nan 0.000 0.521 2185 W N -0.180 121.115 121.300 -0.009 0.000 2.684 2185 W HA 0.643 5.303 4.660 0.000 0.000 0.381 2185 W C 0.035 176.559 176.519 0.009 0.000 0.975 2185 W CA 0.089 57.428 57.345 -0.010 0.000 1.789 2185 W CB 0.392 29.825 29.460 -0.045 0.000 1.161 2185 W HN 0.922 nan 8.180 nan 0.000 0.564 2186 S N 1.702 117.530 115.700 0.214 0.000 2.537 2186 S HA 0.615 5.085 4.470 0.000 0.000 0.271 2186 S C -0.801 173.837 174.600 0.063 0.000 1.148 2186 S CA 0.045 58.378 58.200 0.221 0.000 0.868 2186 S CB 1.706 65.097 63.200 0.319 0.000 1.115 2186 S HN 0.286 nan 8.310 nan 0.000 0.461 2187 S N 1.726 117.482 115.700 0.092 0.000 2.615 2187 S HA 0.841 5.311 4.470 0.000 0.000 0.269 2187 S C -0.846 173.763 174.600 0.016 0.000 1.161 2187 S CA -0.252 57.987 58.200 0.065 0.000 0.817 2187 S CB 1.463 64.743 63.200 0.133 0.000 1.131 2187 S HN 1.072 nan 8.310 nan 0.000 0.467 2188 T N -0.148 114.404 114.554 -0.004 0.000 2.792 2188 T HA 0.799 5.149 4.350 0.000 0.000 0.303 2188 T C -1.593 173.091 174.700 -0.027 0.000 1.310 2188 T CA -0.022 62.015 62.100 -0.106 0.000 1.007 2188 T CB 1.515 70.316 68.868 -0.111 0.000 1.335 2188 T HN 1.479 nan 8.240 nan 0.000 0.504 2189 S N -0.035 115.617 115.700 -0.081 0.000 2.543 2189 S HA 0.723 5.193 4.470 0.000 0.000 0.274 2189 S C -1.437 173.112 174.600 -0.085 0.000 1.149 2189 S CA -0.331 57.821 58.200 -0.081 0.000 0.866 2189 S CB 0.268 63.354 63.200 -0.189 0.000 1.111 2189 S HN 1.432 nan 8.310 nan 0.000 0.457 2190 c N 2.553 121.153 118.600 -0.001 0.000 3.285 2190 c HA 0.697 5.267 4.570 0.000 0.000 0.325 2190 c C -1.075 173.118 174.090 0.173 0.000 1.304 2190 c CA -0.875 55.512 56.329 0.097 0.000 1.319 2190 c CB 0.954 43.532 42.510 0.113 0.000 1.640 2190 c HN 0.993 nan 8.230 nan 0.000 0.477 2191 H N 1.433 120.618 119.070 0.192 0.000 2.458 2191 H HA 0.363 4.919 4.556 0.000 0.000 0.330 2191 H C -0.174 175.376 175.328 0.370 0.000 1.111 2191 H CA 0.505 56.672 56.048 0.197 0.000 1.245 2191 H CB 1.984 31.751 29.762 0.008 0.000 1.456 2191 H HN 0.959 nan 8.280 nan 0.000 0.488 2192 D N 1.949 122.522 120.400 0.288 0.000 2.340 2192 D HA 0.133 4.773 4.640 0.000 0.000 0.217 2192 D C 1.427 178.131 176.300 0.673 0.000 1.081 2192 D CA 0.529 54.795 54.000 0.444 0.000 0.842 2192 D CB 0.496 41.494 40.800 0.330 0.000 0.934 2192 D HN 0.854 nan 8.370 nan 0.000 0.511 2193 G N -0.232 109.083 108.800 0.858 0.000 2.284 2193 G HA2 -0.290 3.670 3.960 0.000 0.000 0.216 2193 G HA3 -0.290 3.670 3.960 0.000 0.000 0.216 2193 G C 0.957 176.141 174.900 0.473 0.000 1.009 2193 G CA 0.413 45.962 45.100 0.748 0.000 0.625 2193 G HN 0.183 nan 8.290 nan 0.000 0.501 2194 M N 0.118 119.919 119.600 0.336 0.000 2.940 2194 M HA 0.414 4.894 4.480 0.000 0.000 0.248 2194 M C 1.040 177.320 176.300 -0.033 0.000 1.379 2194 M CA 1.371 56.753 55.300 0.137 0.000 1.262 2194 M CB -0.355 32.285 32.600 0.066 0.000 1.201 2194 M HN 0.184 nan 8.290 nan 0.000 0.553 2195 S N -0.677 114.794 115.700 -0.380 0.000 2.697 2195 S HA 0.586 5.056 4.470 0.000 0.000 0.289 2195 S C -0.676 173.319 174.600 -1.008 0.000 1.149 2195 S CA -0.823 56.950 58.200 -0.712 0.000 0.850 2195 S CB 3.098 65.752 63.200 -0.910 0.000 1.151 2195 S HN 0.256 nan 8.310 nan 0.000 0.491 2196 R N 1.145 121.264 120.500 -0.636 0.000 2.346 2196 R HA 0.589 4.929 4.340 0.000 0.000 0.311 2196 R C -0.798 175.434 176.300 -0.113 0.000 0.983 2196 R CA -0.393 55.546 56.100 -0.269 0.000 0.880 2196 R CB 0.861 31.173 30.300 0.020 0.000 1.100 2196 R HN 0.745 nan 8.270 nan 0.000 0.453 2197 M N 3.314 122.952 119.600 0.062 0.000 2.238 2197 M HA 0.334 4.814 4.480 0.000 0.000 0.350 2197 M C -1.351 174.988 176.300 0.065 0.000 1.138 2197 M CA -0.083 55.305 55.300 0.147 0.000 1.040 2197 M CB 1.718 34.402 32.600 0.140 0.000 1.639 2197 M HN 0.606 nan 8.290 nan 0.000 0.451 2198 S N 5.360 121.114 115.700 0.089 0.000 2.536 2198 S HA 0.731 5.201 4.470 0.000 0.000 0.287 2198 S C -0.988 173.650 174.600 0.063 0.000 1.101 2198 S CA -0.681 57.548 58.200 0.048 0.000 0.950 2198 S CB 1.613 64.823 63.200 0.016 0.000 1.056 2198 S HN 0.713 nan 8.310 nan 0.000 0.481 2199 I N 1.606 122.184 120.570 0.014 0.000 2.582 2199 I HA 0.545 4.715 4.170 0.000 0.000 0.292 2199 I C -1.005 175.114 176.117 0.004 0.000 1.066 2199 I CA -0.489 60.821 61.300 0.016 0.000 1.053 2199 I CB 1.918 39.876 38.000 -0.071 0.000 1.241 2199 I HN 0.516 nan 8.210 nan 0.000 0.421 2200 c N 5.566 124.167 118.600 0.001 0.000 2.698 2200 c HA 0.654 5.224 4.570 0.000 0.000 0.309 2200 c C -0.271 173.709 174.090 -0.184 0.000 1.186 2200 c CA -0.630 55.647 56.329 -0.086 0.000 1.474 2200 c CB 1.761 44.211 42.510 -0.100 0.000 2.020 2200 c HN 0.605 nan 8.230 nan 0.000 0.474 2201 M N 2.854 122.232 119.600 -0.371 0.000 2.363 2201 M HA 0.641 5.121 4.480 0.000 0.000 0.343 2201 M C 0.361 175.936 176.300 -1.208 0.000 1.165 2201 M CA 0.450 55.361 55.300 -0.649 0.000 1.046 2201 M CB 1.657 33.876 32.600 -0.635 0.000 1.648 2201 M HN 0.879 nan 8.290 nan 0.000 0.452 2202 S N 0.690 115.812 115.700 -0.963 0.000 2.794 2202 S HA 1.031 5.501 4.470 0.000 0.000 0.299 2202 S C -0.186 174.252 174.600 -0.270 0.000 1.179 2202 S CA -0.225 57.403 58.200 -0.954 0.000 0.838 2202 S CB 1.485 64.422 63.200 -0.438 0.000 1.206 2202 S HN 1.592 nan 8.310 nan 0.000 0.523 2203 G N 0.299 109.180 108.800 0.134 0.000 2.525 2203 G HA2 0.170 4.130 3.960 0.000 0.000 0.685 2203 G HA3 0.170 4.130 3.960 0.000 0.000 0.685 2203 G C -3.383 171.720 174.900 0.338 0.000 1.290 2203 G CA -0.407 44.812 45.100 0.198 0.000 0.915 2203 G HN 0.806 nan 8.290 nan 0.000 0.548 2204 P HA 0.245 nan 4.420 nan 0.000 0.274 2204 P C 0.659 178.010 177.300 0.085 0.000 1.246 2204 P CA -0.381 62.778 63.100 0.097 0.000 0.795 2204 P CB 0.583 32.313 31.700 0.050 0.000 1.006 2205 N N 1.473 120.166 118.700 -0.012 0.000 2.060 2205 N HA -0.198 4.542 4.740 0.000 0.000 0.195 2205 N C 1.202 176.706 175.510 -0.010 0.000 1.028 2205 N CA 1.810 54.830 53.050 -0.050 0.000 0.861 2205 N CB -0.991 37.444 38.487 -0.087 0.000 1.029 2205 N HN 0.582 nan 8.380 nan 0.000 0.428 2206 N N -0.523 118.175 118.700 -0.003 0.000 2.383 2206 N HA -0.006 4.734 4.740 0.000 0.000 0.192 2206 N C -0.342 175.172 175.510 0.007 0.000 1.141 2206 N CA 0.302 53.349 53.050 -0.004 0.000 0.851 2206 N CB -0.027 38.458 38.487 -0.004 0.000 0.976 2206 N HN 0.073 nan 8.380 nan 0.000 0.465 2207 N N -0.220 118.496 118.700 0.026 0.000 2.581 2207 N HA 0.187 4.927 4.740 0.000 0.000 0.274 2207 N C -1.170 174.367 175.510 0.044 0.000 1.629 2207 N CA -0.101 52.965 53.050 0.027 0.000 0.884 2207 N CB 1.228 39.730 38.487 0.026 0.000 1.423 2207 N HN 0.295 nan 8.380 nan 0.000 0.507 2208 A N 0.622 123.478 122.820 0.061 0.000 2.313 2208 A HA 0.750 5.070 4.320 0.000 0.000 0.261 2208 A C 0.431 177.996 177.584 -0.031 0.000 1.090 2208 A CA -0.053 52.028 52.037 0.074 0.000 0.807 2208 A CB 0.489 19.620 19.000 0.219 0.000 1.055 2208 A HN 0.304 nan 8.150 nan 0.000 0.492 2209 S N -0.967 114.682 115.700 -0.085 0.000 2.556 2209 S HA 0.768 5.238 4.470 0.000 0.000 0.271 2209 S C -0.563 173.964 174.600 -0.121 0.000 1.135 2209 S CA -0.144 58.008 58.200 -0.079 0.000 0.858 2209 S CB 1.425 64.601 63.200 -0.040 0.000 1.114 2209 S HN 1.938 nan 8.310 nan 0.000 0.468 2210 A N 1.366 124.147 122.820 -0.065 0.000 2.312 2210 A HA 0.803 5.123 4.320 0.000 0.000 0.326 2210 A C -0.612 176.970 177.584 -0.003 0.000 1.172 2210 A CA -0.812 51.196 52.037 -0.049 0.000 0.821 2210 A CB 0.895 19.899 19.000 0.006 0.000 1.166 2210 A HN 1.042 nan 8.150 nan 0.000 0.493 2211 V N 2.555 122.482 119.914 0.022 0.000 2.417 2211 V HA 0.402 4.522 4.120 0.000 0.000 0.291 2211 V C -0.352 175.808 176.094 0.110 0.000 1.024 2211 V CA -0.518 61.809 62.300 0.045 0.000 0.861 2211 V CB 1.531 33.414 31.823 0.099 0.000 0.985 2211 V HN 0.622 nan 8.190 nan 0.000 0.436 2212 V N 4.141 124.054 119.914 -0.003 0.000 2.370 2212 V HA 0.449 4.570 4.120 0.000 0.000 0.283 2212 V C -0.805 175.286 176.094 -0.004 0.000 1.023 2212 V CA -0.568 61.716 62.300 -0.027 0.000 0.857 2212 V CB 1.234 32.940 31.823 -0.194 0.000 0.985 2212 V HN 0.868 nan 8.190 nan 0.000 0.443 2213 W N 4.002 125.267 121.300 -0.059 0.000 2.627 2213 W HA 0.682 5.342 4.660 0.000 0.000 0.339 2213 W C -0.656 175.911 176.519 0.081 0.000 1.058 2213 W CA -0.784 56.565 57.345 0.007 0.000 1.223 2213 W CB 1.266 30.723 29.460 -0.005 0.000 1.389 2213 W HN 0.540 nan 8.180 nan 0.000 0.541 2214 Y N 0.462 120.861 120.300 0.165 0.000 2.433 2214 Y HA 0.458 5.008 4.550 0.000 0.000 0.337 2214 Y C 0.867 176.824 175.900 0.095 0.000 1.026 2214 Y CA -0.299 57.852 58.100 0.086 0.000 1.037 2214 Y CB 2.121 40.603 38.460 0.036 0.000 1.245 2214 Y HN 0.754 nan 8.280 nan 0.000 0.443 2215 G N 2.925 111.438 108.800 -0.478 0.000 2.233 2215 G HA2 -0.076 3.884 3.960 0.000 0.000 0.270 2215 G HA3 -0.076 3.884 3.960 0.000 0.000 0.270 2215 G C 0.987 175.864 174.900 -0.038 0.000 1.011 2215 G CA 0.972 45.889 45.100 -0.305 0.000 0.762 2215 G HN 2.169 nan 8.290 nan 0.000 0.511 2216 G N -2.100 106.753 108.800 0.089 0.000 2.141 2216 G HA2 -0.192 3.768 3.960 0.000 0.000 0.231 2216 G HA3 -0.192 3.768 3.960 0.000 0.000 0.231 2216 G C 0.206 175.358 174.900 0.420 0.000 0.984 2216 G CA 0.853 46.077 45.100 0.207 0.000 0.660 2216 G HN 1.061 nan 8.290 nan 0.000 0.525 2217 R N 0.468 121.174 120.500 0.342 0.000 2.750 2217 R HA 0.554 4.894 4.340 0.000 0.000 0.281 2217 R C -2.735 173.469 176.300 -0.161 0.000 0.972 2217 R CA -2.027 54.148 56.100 0.125 0.000 0.912 2217 R CB 2.593 32.916 30.300 0.039 0.000 1.187 2217 R HN 0.084 nan 8.270 nan 0.000 0.464 2218 P HA 0.108 nan 4.420 nan 0.000 0.281 2218 P C -0.171 176.883 177.300 -0.411 0.000 1.252 2218 P CA -0.029 62.467 63.100 -1.008 0.000 0.778 2218 P CB 1.021 31.998 31.700 -1.204 0.000 0.895 2219 I N 1.200 121.602 120.570 -0.279 0.000 3.673 2219 I HA 0.166 4.336 4.170 0.000 0.000 0.281 2219 I C 0.893 176.960 176.117 -0.084 0.000 1.182 2219 I CA 0.958 62.191 61.300 -0.113 0.000 1.391 2219 I CB -0.410 37.575 38.000 -0.025 0.000 1.383 2219 I HN 0.261 nan 8.210 nan 0.000 0.456 2220 T N 1.485 115.993 114.554 -0.077 0.000 2.900 2220 T HA 0.560 4.910 4.350 0.000 0.000 0.303 2220 T C -1.032 173.657 174.700 -0.017 0.000 1.142 2220 T CA -0.509 61.587 62.100 -0.007 0.000 1.007 2220 T CB 2.917 71.848 68.868 0.105 0.000 1.156 2220 T HN -0.092 nan 8.240 nan 0.000 0.490 2221 E N 1.071 121.278 120.200 0.011 0.000 2.248 2221 E HA 0.688 5.038 4.350 0.000 0.000 0.267 2221 E C -1.035 175.604 176.600 0.064 0.000 0.877 2221 E CA -0.536 55.874 56.400 0.017 0.000 0.759 2221 E CB 2.045 31.739 29.700 -0.011 0.000 1.182 2221 E HN 0.452 nan 8.360 nan 0.000 0.418 2222 I N 3.503 124.121 120.570 0.081 0.000 2.468 2222 I HA 0.341 4.511 4.170 0.000 0.000 0.284 2222 I C -2.361 173.812 176.117 0.092 0.000 1.038 2222 I CA -2.318 59.060 61.300 0.130 0.000 1.083 2222 I CB 1.894 40.025 38.000 0.218 0.000 1.223 2222 I HN 0.286 nan 8.210 nan 0.000 0.443 2223 P HA 0.073 nan 4.420 nan 0.000 0.276 2223 P C -0.138 177.188 177.300 0.045 0.000 1.244 2223 P CA -0.337 62.797 63.100 0.056 0.000 0.801 2223 P CB 1.056 32.795 31.700 0.067 0.000 1.006 2224 S N 1.248 116.915 115.700 -0.054 0.000 2.546 2224 S HA 0.021 4.491 4.470 0.000 0.000 0.290 2224 S C 0.629 175.215 174.600 -0.023 0.000 1.290 2224 S CA -0.389 57.697 58.200 -0.189 0.000 1.069 2224 S CB -0.337 62.778 63.200 -0.143 0.000 0.846 2224 S HN 0.570 nan 8.310 nan 0.000 0.495 2225 W N 3.629 124.944 121.300 0.024 0.000 3.114 2225 W HA 0.583 5.243 4.660 0.000 0.000 0.279 2225 W C 1.077 177.605 176.519 0.014 0.000 1.277 2225 W CA 0.095 57.449 57.345 0.016 0.000 1.630 2225 W CB -0.386 29.080 29.460 0.010 0.000 1.087 2225 W HN 0.673 nan 8.180 nan 0.000 0.637 2226 A N 0.540 123.368 122.820 0.012 0.000 2.508 2226 A HA 0.591 4.911 4.320 0.000 0.000 0.250 2226 A C 1.750 179.328 177.584 -0.010 0.000 1.208 2226 A CA 0.296 52.375 52.037 0.070 0.000 0.960 2226 A CB -0.547 18.518 19.000 0.109 0.000 1.099 2226 A HN 0.803 nan 8.150 nan 0.000 0.542 2227 G N 0.267 109.034 108.800 -0.055 0.000 2.221 2227 G HA2 -0.256 3.705 3.960 0.000 0.000 0.265 2227 G HA3 -0.256 3.705 3.960 0.000 0.000 0.265 2227 G C -0.136 174.738 174.900 -0.044 0.000 1.041 2227 G CA 0.492 45.570 45.100 -0.036 0.000 0.807 2227 G HN 0.806 nan 8.290 nan 0.000 0.502 2228 N N -0.064 118.592 118.700 -0.073 0.000 2.751 2228 N HA 0.315 5.055 4.740 0.000 0.000 0.234 2228 N C 0.565 176.031 175.510 -0.074 0.000 1.403 2228 N CA -0.258 52.754 53.050 -0.063 0.000 0.747 2228 N CB -0.363 38.094 38.487 -0.051 0.000 1.326 2228 N HN 0.800 nan 8.380 nan 0.000 0.532 2229 I N 0.770 121.310 120.570 -0.050 0.000 7.004 2229 I HA -0.320 3.850 4.170 0.000 0.000 0.126 2229 I C -0.048 176.083 176.117 0.024 0.000 1.826 2229 I CA -0.033 61.262 61.300 -0.009 0.000 2.066 2229 I CB -0.822 37.106 38.000 -0.120 0.000 3.565 2229 I HN 0.355 nan 8.210 nan 0.000 0.178 2230 L N 5.368 126.569 121.223 -0.036 0.000 2.640 2230 L HA 0.118 4.458 4.340 0.000 0.000 0.280 2230 L C 0.889 177.779 176.870 0.033 0.000 1.229 2230 L CA 1.153 55.883 54.840 -0.184 0.000 0.919 2230 L CB 0.089 41.958 42.059 -0.317 0.000 1.168 2230 L HN 0.561 nan 8.230 nan 0.000 0.496 2231 R N 2.339 122.838 120.500 -0.003 0.000 2.747 2231 R HA 0.786 5.126 4.340 0.000 0.000 0.272 2231 R C -0.948 175.386 176.300 0.056 0.000 1.032 2231 R CA -0.615 55.554 56.100 0.114 0.000 0.896 2231 R CB 1.409 31.815 30.300 0.176 0.000 1.253 2231 R HN 0.519 nan 8.270 nan 0.000 0.461 2232 T N -1.748 112.850 114.554 0.073 0.000 2.587 2232 T HA 0.163 4.513 4.350 0.000 0.000 0.282 2232 T C 0.228 174.942 174.700 0.022 0.000 1.018 2232 T CA -0.354 61.769 62.100 0.039 0.000 1.120 2232 T CB 1.410 70.297 68.868 0.031 0.000 1.538 2232 T HN 0.646 nan 8.240 nan 0.000 0.480 2233 Q N 0.020 119.808 119.800 -0.021 0.000 2.084 2233 Q HA -0.044 4.296 4.340 0.000 0.000 0.202 2233 Q C -0.059 175.905 176.000 -0.060 0.000 0.978 2233 Q CA 1.703 57.473 55.803 -0.056 0.000 0.844 2233 Q CB 0.046 28.724 28.738 -0.099 0.000 0.898 2233 Q HN 0.631 nan 8.270 nan 0.000 0.426 2234 E N -0.709 119.436 120.200 -0.091 0.000 3.181 2234 E HA -0.166 4.184 4.350 0.000 0.000 0.293 2234 E C -0.449 175.949 176.600 -0.336 0.000 0.936 2234 E CA 1.100 57.468 56.400 -0.052 0.000 0.975 2234 E CB -2.185 27.648 29.700 0.222 0.000 1.496 2234 E HN 0.457 nan 8.360 nan 0.000 0.429 2235 S N -1.411 113.893 115.700 -0.659 0.000 2.727 2235 S HA 0.507 4.977 4.470 0.000 0.000 0.278 2235 S C -0.327 173.820 174.600 -0.756 0.000 1.186 2235 S CA -0.639 57.031 58.200 -0.884 0.000 0.836 2235 S CB 2.082 65.249 63.200 -0.055 0.000 1.186 2235 S HN 0.229 nan 8.310 nan 0.000 0.499 2236 E N -0.067 119.923 120.200 -0.349 0.000 2.373 2236 E HA 0.483 4.833 4.350 0.000 0.000 0.263 2236 E C 0.513 177.082 176.600 -0.051 0.000 1.073 2236 E CA -0.948 55.363 56.400 -0.148 0.000 0.894 2236 E CB 0.423 30.154 29.700 0.052 0.000 1.008 2236 E HN 0.851 nan 8.360 nan 0.000 0.420 2237 c N 1.227 119.808 118.600 -0.032 0.000 2.517 2237 c HA 0.770 5.340 4.570 0.000 0.000 0.357 2237 c C 0.148 174.268 174.090 0.050 0.000 1.485 2237 c CA -0.825 55.505 56.329 0.002 0.000 2.148 2237 c CB -0.006 42.502 42.510 -0.003 0.000 2.019 2237 c HN 0.579 nan 8.230 nan 0.000 0.576 2238 V N -0.277 119.649 119.914 0.020 0.000 2.808 2238 V HA 0.518 4.638 4.120 0.000 0.000 0.308 2238 V C -0.343 175.727 176.094 -0.040 0.000 1.099 2238 V CA -0.209 62.070 62.300 -0.034 0.000 0.920 2238 V CB 1.241 33.020 31.823 -0.074 0.000 1.014 2238 V HN 1.207 nan 8.190 nan 0.000 0.425 2239 c N 3.245 121.803 118.600 -0.070 0.000 2.529 2239 c HA 0.744 5.314 4.570 0.000 0.000 0.329 2239 c C -0.350 173.736 174.090 -0.006 0.000 1.194 2239 c CA -0.512 55.813 56.329 -0.007 0.000 1.779 2239 c CB 1.166 43.709 42.510 0.055 0.000 2.322 2239 c HN 1.019 nan 8.230 nan 0.000 0.500 2240 H N 1.269 120.286 119.070 -0.088 0.000 3.096 2240 H HA 0.220 4.776 4.556 0.000 0.000 0.335 2240 H C -0.428 174.848 175.328 -0.087 0.000 0.990 2240 H CA -0.212 55.792 56.048 -0.072 0.000 1.393 2240 H CB 0.607 30.339 29.762 -0.050 0.000 1.742 2240 H HN 0.895 nan 8.280 nan 0.000 0.501 2241 K N 3.320 123.418 120.400 -0.503 0.000 3.016 2241 K HA -0.251 4.069 4.320 0.000 0.000 0.262 2241 K C 0.861 177.107 176.600 -0.590 0.000 1.043 2241 K CA 0.992 57.037 56.287 -0.403 0.000 0.761 2241 K CB -1.395 30.856 32.500 -0.415 0.000 1.230 2241 K HN 1.082 nan 8.250 nan 0.000 0.485 2242 G N -1.563 106.751 108.800 -0.810 0.000 2.213 2242 G HA2 -0.271 3.689 3.960 0.000 0.000 0.236 2242 G HA3 -0.271 3.689 3.960 0.000 0.000 0.236 2242 G C 0.065 174.660 174.900 -0.508 0.000 0.991 2242 G CA -0.035 44.273 45.100 -1.320 0.000 0.629 2242 G HN 0.218 nan 8.290 nan 0.000 0.517 2243 V N 1.398 121.154 119.914 -0.264 0.000 2.350 2243 V HA 0.507 4.627 4.120 0.000 0.000 0.276 2243 V C 0.338 176.450 176.094 0.030 0.000 1.028 2243 V CA -0.391 61.867 62.300 -0.069 0.000 0.860 2243 V CB 1.360 33.178 31.823 -0.008 0.000 0.990 2243 V HN 0.461 nan 8.190 nan 0.000 0.453 2244 c N 7.585 126.236 118.600 0.086 0.000 2.291 2244 c HA 0.482 5.052 4.570 0.000 0.000 0.322 2244 c C -2.420 171.748 174.090 0.130 0.000 1.205 2244 c CA -1.596 54.796 56.329 0.105 0.000 1.495 2244 c CB 0.645 43.224 42.510 0.115 0.000 2.127 2244 c HN 0.602 nan 8.230 nan 0.000 0.452 2245 P HA 0.425 nan 4.420 nan 0.000 0.279 2245 P C -0.703 176.535 177.300 -0.104 0.000 1.239 2245 P CA -0.037 62.939 63.100 -0.207 0.000 0.789 2245 P CB 0.832 32.334 31.700 -0.331 0.000 0.933 2246 V N 3.442 123.286 119.914 -0.117 0.000 2.709 2246 V HA 0.269 4.389 4.120 0.000 0.000 0.308 2246 V C -0.222 175.825 176.094 -0.078 0.000 1.062 2246 V CA -0.780 61.517 62.300 -0.004 0.000 0.901 2246 V CB 2.514 34.471 31.823 0.223 0.000 1.003 2246 V HN 0.187 nan 8.190 nan 0.000 0.425 2247 V N 5.942 125.815 119.914 -0.068 0.000 2.383 2247 V HA 0.534 4.654 4.120 0.000 0.000 0.275 2247 V C 0.023 176.122 176.094 0.008 0.000 1.036 2247 V CA -0.125 62.132 62.300 -0.072 0.000 0.889 2247 V CB 1.166 32.932 31.823 -0.095 0.000 0.985 2247 V HN 0.822 nan 8.190 nan 0.000 0.459 2248 M N 3.591 123.236 119.600 0.074 0.000 2.530 2248 M HA 0.595 5.075 4.480 0.000 0.000 0.307 2248 M C -0.547 175.874 176.300 0.201 0.000 1.161 2248 M CA -0.337 55.056 55.300 0.154 0.000 0.903 2248 M CB 2.730 35.510 32.600 0.300 0.000 1.711 2248 M HN 0.519 nan 8.290 nan 0.000 0.451 2249 T N 0.365 114.981 114.554 0.104 0.000 2.893 2249 T HA 0.546 4.896 4.350 0.000 0.000 0.291 2249 T C -1.618 173.056 174.700 -0.043 0.000 1.028 2249 T CA -0.593 61.561 62.100 0.090 0.000 0.995 2249 T CB 1.941 70.800 68.868 -0.015 0.000 1.051 2249 T HN 0.597 nan 8.240 nan 0.000 0.470 2250 D N 0.071 120.448 120.400 -0.038 0.000 2.970 2250 D HA 0.622 5.262 4.640 0.000 0.000 0.230 2250 D C -0.099 176.174 176.300 -0.045 0.000 1.276 2250 D CA 0.392 54.257 54.000 -0.225 0.000 0.910 2250 D CB 1.631 41.942 40.800 -0.814 0.000 1.590 2250 D HN 0.981 nan 8.370 nan 0.000 0.551 2251 G N 2.645 111.417 108.800 -0.046 0.000 2.334 2251 G HA2 0.058 4.018 3.960 0.000 0.000 0.315 2251 G HA3 0.058 4.018 3.960 0.000 0.000 0.315 2251 G C -2.981 171.917 174.900 -0.003 0.000 1.284 2251 G CA -0.989 44.107 45.100 -0.007 0.000 0.985 2251 G HN 0.411 nan 8.290 nan 0.000 0.504 2252 P HA 0.414 nan 4.420 nan 0.000 0.268 2252 P C 0.744 178.066 177.300 0.037 0.000 1.208 2252 P CA 0.919 63.990 63.100 -0.048 0.000 0.777 2252 P CB 1.007 32.618 31.700 -0.149 0.000 0.875 2253 A N 2.561 125.382 122.820 0.002 0.000 2.132 2253 A HA -0.030 4.290 4.320 0.000 0.000 0.213 2253 A C 0.985 178.501 177.584 -0.114 0.000 1.154 2253 A CA 0.792 52.861 52.037 0.053 0.000 0.753 2253 A CB -0.672 18.348 19.000 0.035 0.000 0.826 2253 A HN 0.666 nan 8.150 nan 0.000 0.469 2254 N N -0.752 117.822 118.700 -0.209 0.000 2.365 2254 N HA 0.167 4.907 4.740 0.000 0.000 0.257 2254 N C -0.687 174.446 175.510 -0.628 0.000 1.287 2254 N CA -0.294 52.609 53.050 -0.246 0.000 0.882 2254 N CB -0.077 38.360 38.487 -0.083 0.000 1.250 2254 N HN 0.200 nan 8.380 nan 0.000 0.507 2255 N N 0.214 118.310 118.700 -1.006 0.000 3.227 2255 N HA 0.242 4.982 4.740 0.000 0.000 0.241 2255 N C -1.177 173.560 175.510 -1.289 0.000 1.480 2255 N CA -0.458 51.657 53.050 -1.558 0.000 0.886 2255 N CB 1.520 39.583 38.487 -0.706 0.000 1.406 2255 N HN -0.023 nan 8.380 nan 0.000 0.514 2256 R N 0.583 120.304 120.500 -1.297 0.000 2.538 2256 R HA 0.301 4.641 4.340 0.000 0.000 0.273 2256 R C -0.276 175.936 176.300 -0.148 0.000 0.967 2256 R CA 0.585 56.428 56.100 -0.428 0.000 1.101 2256 R CB -0.107 30.100 30.300 -0.156 0.000 0.908 2256 R HN 0.529 nan 8.270 nan 0.000 0.411 2257 A N 1.648 124.496 122.820 0.048 0.000 2.485 2257 A HA 0.718 5.038 4.320 0.000 0.000 0.292 2257 A C -1.093 176.552 177.584 0.102 0.000 1.147 2257 A CA -0.573 51.505 52.037 0.068 0.000 0.750 2257 A CB 1.915 20.967 19.000 0.086 0.000 1.331 2257 A HN 0.689 nan 8.150 nan 0.000 0.419 2258 A N 1.015 123.934 122.820 0.165 0.000 2.582 2258 A HA 0.602 4.922 4.320 0.000 0.000 0.336 2258 A C 0.058 177.845 177.584 0.338 0.000 1.445 2258 A CA -0.171 52.016 52.037 0.250 0.000 0.997 2258 A CB -0.694 18.526 19.000 0.367 0.000 1.148 2258 A HN 0.674 nan 8.150 nan 0.000 0.514 2259 T N 2.660 117.314 114.554 0.165 0.000 2.882 2259 T HA 0.434 4.784 4.350 0.000 0.000 0.287 2259 T C -0.028 174.693 174.700 0.036 0.000 0.992 2259 T CA -0.059 62.122 62.100 0.135 0.000 1.076 2259 T CB 0.761 69.646 68.868 0.028 0.000 0.961 2259 T HN 0.621 nan 8.240 nan 0.000 0.490 2260 K N 2.218 122.636 120.400 0.030 0.000 2.375 2260 K HA 0.558 4.878 4.320 0.000 0.000 0.249 2260 K C -0.973 175.526 176.600 -0.169 0.000 0.942 2260 K CA -0.995 55.195 56.287 -0.160 0.000 0.806 2260 K CB 1.903 34.142 32.500 -0.436 0.000 1.227 2260 K HN 0.335 nan 8.250 nan 0.000 0.430 2261 I N 3.873 124.273 120.570 -0.283 0.000 2.330 2261 I HA 0.359 4.529 4.170 0.000 0.000 0.289 2261 I C -0.095 175.767 176.117 -0.426 0.000 1.001 2261 I CA -0.471 60.584 61.300 -0.409 0.000 1.193 2261 I CB 0.502 38.143 38.000 -0.598 0.000 1.345 2261 I HN 0.498 nan 8.210 nan 0.000 0.461 2262 I N 6.715 127.029 120.570 -0.427 0.000 2.378 2262 I HA 0.298 4.468 4.170 0.000 0.000 0.291 2262 I C -0.935 174.798 176.117 -0.641 0.000 0.992 2262 I CA -0.800 60.220 61.300 -0.467 0.000 1.154 2262 I CB 1.405 39.148 38.000 -0.428 0.000 1.315 2262 I HN 0.332 nan 8.210 nan 0.000 0.448 2263 Y N 5.802 125.822 120.300 -0.468 0.000 2.335 2263 Y HA 0.478 5.028 4.550 0.000 0.000 0.339 2263 Y C -0.374 175.273 175.900 -0.421 0.000 0.987 2263 Y CA -0.445 57.469 58.100 -0.310 0.000 1.140 2263 Y CB 0.895 39.244 38.460 -0.185 0.000 1.173 2263 Y HN 0.309 nan 8.280 nan 0.000 0.486 2264 F N 2.274 122.252 119.950 0.046 0.000 2.492 2264 F HA 0.590 5.117 4.527 0.000 0.000 0.327 2264 F C -0.077 175.683 175.800 -0.067 0.000 1.079 2264 F CA -1.142 56.849 58.000 -0.016 0.000 0.967 2264 F CB 1.907 40.889 39.000 -0.030 0.000 1.169 2264 F HN 0.197 nan 8.300 nan 0.000 0.472 2265 K N 1.648 122.102 120.400 0.090 0.000 2.601 2265 K HA 0.270 4.590 4.320 0.000 0.000 0.249 2265 K C -0.670 175.809 176.600 -0.203 0.000 0.966 2265 K CA -0.373 55.865 56.287 -0.082 0.000 0.827 2265 K CB 0.891 33.328 32.500 -0.105 0.000 1.178 2265 K HN 0.777 nan 8.250 nan 0.000 0.437 2266 E N 2.452 122.356 120.200 -0.494 0.000 2.586 2266 E HA -0.280 4.070 4.350 0.000 0.000 0.259 2266 E C 0.510 176.650 176.600 -0.766 0.000 1.107 2266 E CA 0.719 56.394 56.400 -1.207 0.000 0.754 2266 E CB -1.453 27.885 29.700 -0.603 0.000 1.335 2266 E HN 1.171 nan 8.360 nan 0.000 0.411 2267 G N -0.116 108.461 108.800 -0.373 0.000 2.184 2267 G HA2 -0.382 3.579 3.960 0.000 0.000 0.264 2267 G HA3 -0.382 3.579 3.960 0.000 0.000 0.264 2267 G C 0.195 175.168 174.900 0.122 0.000 0.975 2267 G CA 0.874 45.919 45.100 -0.091 0.000 0.642 2267 G HN 0.271 nan 8.290 nan 0.000 0.536 2268 K N 0.110 120.572 120.400 0.103 0.000 2.143 2268 K HA 0.582 4.902 4.320 0.000 0.000 0.272 2268 K C 0.554 177.245 176.600 0.153 0.000 1.001 2268 K CA -0.850 55.511 56.287 0.124 0.000 0.915 2268 K CB 1.539 34.050 32.500 0.018 0.000 1.047 2268 K HN 0.217 nan 8.250 nan 0.000 0.458 2269 I N 3.933 124.540 120.570 0.063 0.000 2.581 2269 I HA -0.123 4.047 4.170 0.000 0.000 0.285 2269 I C 1.357 177.408 176.117 -0.111 0.000 1.129 2269 I CA 0.111 61.322 61.300 -0.149 0.000 1.397 2269 I CB 0.618 38.523 38.000 -0.159 0.000 1.399 2269 I HN 0.512 nan 8.210 nan 0.000 0.537 2270 Q N 5.294 125.016 119.800 -0.130 0.000 2.297 2270 Q HA 0.181 4.521 4.340 0.000 0.000 0.203 2270 Q C 0.355 176.293 176.000 -0.102 0.000 0.931 2270 Q CA 0.845 56.593 55.803 -0.091 0.000 0.885 2270 Q CB 0.390 29.083 28.738 -0.075 0.000 0.991 2270 Q HN 0.595 nan 8.270 nan 0.000 0.498 2271 K N -0.426 119.917 120.400 -0.094 0.000 2.598 2271 K HA 0.418 4.738 4.320 0.000 0.000 0.271 2271 K C -1.790 174.806 176.600 -0.006 0.000 0.947 2271 K CA -0.338 55.906 56.287 -0.071 0.000 0.854 2271 K CB 1.285 33.691 32.500 -0.156 0.000 1.401 2271 K HN -0.068 nan 8.250 nan 0.000 0.415 2272 I N 2.745 123.287 120.570 -0.047 0.000 2.436 2272 I HA 0.319 4.489 4.170 0.000 0.000 0.289 2272 I C -0.633 175.456 176.117 -0.048 0.000 1.010 2272 I CA -0.559 60.693 61.300 -0.079 0.000 1.098 2272 I CB 2.026 39.924 38.000 -0.171 0.000 1.266 2272 I HN 0.484 nan 8.210 nan 0.000 0.434 2273 E N 5.231 125.425 120.200 -0.010 0.000 2.212 2273 E HA 0.389 4.739 4.350 0.000 0.000 0.268 2273 E C -1.035 175.525 176.600 -0.066 0.000 0.902 2273 E CA -0.856 55.557 56.400 0.021 0.000 0.779 2273 E CB 2.212 32.029 29.700 0.196 0.000 1.172 2273 E HN 0.494 nan 8.360 nan 0.000 0.409 2274 E N 1.303 121.478 120.200 -0.042 0.000 2.366 2274 E HA 0.096 4.446 4.350 0.000 0.000 0.266 2274 E C -0.408 176.237 176.600 0.075 0.000 1.051 2274 E CA -0.534 55.834 56.400 -0.053 0.000 0.884 2274 E CB 0.785 30.453 29.700 -0.053 0.000 1.006 2274 E HN 0.203 nan 8.360 nan 0.000 0.417 2275 L N 2.461 123.710 121.223 0.042 0.000 2.540 2275 L HA 0.157 4.497 4.340 0.000 0.000 0.276 2275 L C -0.559 176.448 176.870 0.228 0.000 1.212 2275 L CA 0.694 55.631 54.840 0.162 0.000 0.893 2275 L CB 0.081 42.178 42.059 0.063 0.000 1.138 2275 L HN 0.582 nan 8.230 nan 0.000 0.491 2276 A N 3.443 126.476 122.820 0.354 0.000 2.387 2276 A HA 0.969 5.289 4.320 0.000 0.000 0.303 2276 A C 0.263 177.859 177.584 0.019 0.000 1.145 2276 A CA -0.044 52.025 52.037 0.054 0.000 0.801 2276 A CB 0.867 19.780 19.000 -0.146 0.000 1.342 2276 A HN 1.815 nan 8.150 nan 0.000 0.440 2277 G N 0.029 108.822 108.800 -0.011 0.000 2.582 2277 G HA2 -0.129 3.831 3.960 0.000 0.000 0.222 2277 G HA3 -0.129 3.831 3.960 0.000 0.000 0.222 2277 G C -0.075 174.848 174.900 0.039 0.000 1.311 2277 G CA 0.125 45.224 45.100 -0.001 0.000 0.915 2277 G HN 0.851 nan 8.290 nan 0.000 0.528 2278 N N 0.877 119.606 118.700 0.047 0.000 2.336 2278 N HA 0.374 5.114 4.740 0.000 0.000 0.189 2278 N C 1.148 176.746 175.510 0.147 0.000 1.113 2278 N CA 0.939 54.050 53.050 0.102 0.000 0.858 2278 N CB 0.253 38.811 38.487 0.120 0.000 0.970 2278 N HN 1.097 nan 8.380 nan 0.000 0.471 2279 A N 0.588 123.406 122.820 -0.004 0.000 2.488 2279 A HA 0.083 4.403 4.320 0.000 0.000 0.249 2279 A C 1.026 178.672 177.584 0.103 0.000 1.083 2279 A CA 0.035 51.970 52.037 -0.170 0.000 0.768 2279 A CB 0.381 19.224 19.000 -0.261 0.000 1.017 2279 A HN 0.239 nan 8.150 nan 0.000 0.496 2280 Q N -0.167 119.800 119.800 0.278 0.000 2.396 2280 Q HA 0.082 4.423 4.340 0.000 0.000 0.209 2280 Q C -0.435 175.875 176.000 0.517 0.000 0.906 2280 Q CA 0.591 56.610 55.803 0.360 0.000 0.927 2280 Q CB 0.349 29.244 28.738 0.261 0.000 1.069 2280 Q HN 0.888 nan 8.270 nan 0.000 0.523 2281 H N -0.602 118.638 119.070 0.283 0.000 3.086 2281 H HA 0.351 4.907 4.556 0.000 0.000 0.353 2281 H C -1.783 173.624 175.328 0.131 0.000 1.134 2281 H CA -0.599 55.608 56.048 0.264 0.000 1.248 2281 H CB 1.003 31.005 29.762 0.399 0.000 1.878 2281 H HN -0.119 nan 8.280 nan 0.000 0.527 2282 I N 4.098 124.487 120.570 -0.302 0.000 2.498 2282 I HA 0.382 4.552 4.170 0.000 0.000 0.290 2282 I C -0.608 175.353 176.117 -0.261 0.000 1.032 2282 I CA -0.606 60.575 61.300 -0.199 0.000 1.073 2282 I CB 1.752 39.679 38.000 -0.121 0.000 1.251 2282 I HN 0.653 nan 8.210 nan 0.000 0.426 2283 E N 4.309 124.436 120.200 -0.122 0.000 2.390 2283 E HA 0.295 4.645 4.350 0.000 0.000 0.277 2283 E C -0.870 175.701 176.600 -0.050 0.000 0.939 2283 E CA -0.754 55.605 56.400 -0.068 0.000 0.769 2283 E CB 2.188 31.885 29.700 -0.005 0.000 1.251 2283 E HN 0.476 nan 8.360 nan 0.000 0.450 2284 E N 0.119 120.296 120.200 -0.037 0.000 2.183 2284 E HA -0.209 4.142 4.350 0.000 0.000 0.196 2284 E C -0.651 175.911 176.600 -0.064 0.000 1.364 2284 E CA 0.183 56.551 56.400 -0.054 0.000 0.700 2284 E CB -1.603 28.025 29.700 -0.120 0.000 1.106 2284 E HN 0.362 nan 8.360 nan 0.000 0.347 2285 c N 1.374 119.942 118.600 -0.053 0.000 2.653 2285 c HA 0.177 4.747 4.570 0.000 0.000 0.421 2285 c C 1.173 175.244 174.090 -0.031 0.000 1.334 2285 c CA -0.237 56.064 56.329 -0.047 0.000 1.885 2285 c CB 0.426 42.902 42.510 -0.057 0.000 2.645 2285 c HN 0.379 nan 8.230 nan 0.000 0.601 2286 S N 1.939 117.638 115.700 -0.001 0.000 2.433 2286 S HA 0.533 5.003 4.470 0.000 0.000 0.310 2286 S C -0.403 174.230 174.600 0.055 0.000 1.097 2286 S CA -0.471 57.751 58.200 0.036 0.000 1.103 2286 S CB 0.528 63.778 63.200 0.082 0.000 0.992 2286 S HN 0.852 nan 8.310 nan 0.000 0.469 2287 c N 3.283 121.928 118.600 0.075 0.000 2.707 2287 c HA 0.893 5.463 4.570 0.000 0.000 0.313 2287 c C -0.735 173.487 174.090 0.220 0.000 1.209 2287 c CA -1.028 55.343 56.329 0.071 0.000 1.635 2287 c CB 0.368 42.875 42.510 -0.004 0.000 2.206 2287 c HN 0.979 nan 8.230 nan 0.000 0.485 2288 Y N -0.470 119.889 120.300 0.099 0.000 2.655 2288 Y HA 0.874 5.424 4.550 0.000 0.000 0.336 2288 Y C -0.252 175.769 175.900 0.201 0.000 1.154 2288 Y CA -0.825 57.416 58.100 0.235 0.000 1.055 2288 Y CB 0.942 39.612 38.460 0.350 0.000 1.295 2288 Y HN 0.869 nan 8.280 nan 0.000 0.465 2289 G N 0.072 109.061 108.800 0.315 0.000 2.569 2289 G HA2 0.874 4.834 3.960 0.000 0.000 0.300 2289 G HA3 0.874 4.834 3.960 0.000 0.000 0.300 2289 G C -1.777 173.374 174.900 0.418 0.000 1.269 2289 G CA -0.717 44.454 45.100 0.118 0.000 0.959 2289 G HN 1.541 nan 8.290 nan 0.000 0.478 2290 A N -1.119 121.893 122.820 0.320 0.000 2.583 2290 A HA 0.686 5.006 4.320 0.000 0.000 0.298 2290 A C 0.490 178.209 177.584 0.225 0.000 1.055 2290 A CA 0.465 52.776 52.037 0.457 0.000 0.714 2290 A CB 0.615 19.907 19.000 0.488 0.000 1.277 2290 A HN 2.625 nan 8.150 nan 0.000 0.406 2291 G N 0.583 109.492 108.800 0.181 0.000 2.390 2291 G HA2 0.205 4.165 3.960 0.000 0.000 0.299 2291 G HA3 0.205 4.165 3.960 0.000 0.000 0.299 2291 G C 1.850 176.760 174.900 0.016 0.000 1.002 2291 G CA 1.690 46.835 45.100 0.076 0.000 0.979 2291 G HN 2.988 nan 8.290 nan 0.000 0.513 2292 G N -3.218 105.561 108.800 -0.035 0.000 2.168 2292 G HA2 -0.006 3.954 3.960 0.000 0.000 0.257 2292 G HA3 -0.006 3.954 3.960 0.000 0.000 0.257 2292 G C 0.298 175.067 174.900 -0.218 0.000 0.997 2292 G CA 0.730 45.675 45.100 -0.259 0.000 0.708 2292 G HN 1.713 nan 8.290 nan 0.000 0.520 2293 V N 0.691 120.543 119.914 -0.103 0.000 2.588 2293 V HA 0.639 4.759 4.120 0.000 0.000 0.304 2293 V C 0.347 176.375 176.094 -0.109 0.000 1.042 2293 V CA -0.906 61.343 62.300 -0.085 0.000 0.877 2293 V CB 2.004 33.804 31.823 -0.038 0.000 0.996 2293 V HN 0.274 nan 8.190 nan 0.000 0.425 2294 I N 4.407 124.903 120.570 -0.123 0.000 2.359 2294 I HA 0.474 4.644 4.170 0.000 0.000 0.294 2294 I C 0.007 175.997 176.117 -0.213 0.000 0.987 2294 I CA -0.372 60.822 61.300 -0.177 0.000 1.225 2294 I CB 1.376 39.308 38.000 -0.113 0.000 1.366 2294 I HN 0.471 nan 8.210 nan 0.000 0.466 2295 K N 5.343 125.504 120.400 -0.398 0.000 2.376 2295 K HA 0.586 4.907 4.320 0.000 0.000 0.257 2295 K C -1.600 174.849 176.600 -0.252 0.000 0.939 2295 K CA -0.564 55.530 56.287 -0.321 0.000 0.809 2295 K CB 1.981 34.270 32.500 -0.351 0.000 1.121 2295 K HN 0.541 nan 8.250 nan 0.000 0.425 2296 c N 4.111 122.641 118.600 -0.117 0.000 2.301 2296 c HA 0.484 5.054 4.570 0.000 0.000 0.323 2296 c C -0.402 173.665 174.090 -0.039 0.000 1.265 2296 c CA -0.981 55.309 56.329 -0.065 0.000 1.503 2296 c CB -0.403 42.062 42.510 -0.074 0.000 2.195 2296 c HN 0.661 nan 8.230 nan 0.000 0.477 2297 I N 3.312 123.878 120.570 -0.006 0.000 2.321 2297 I HA 0.472 4.642 4.170 0.000 0.000 0.291 2297 I C 0.458 176.563 176.117 -0.020 0.000 0.998 2297 I CA 0.551 61.844 61.300 -0.012 0.000 1.227 2297 I CB 0.519 38.520 38.000 0.003 0.000 1.368 2297 I HN 0.730 nan 8.210 nan 0.000 0.466 2298 c N 4.412 122.988 118.600 -0.040 0.000 3.082 2298 c HA 0.697 5.267 4.570 0.000 0.000 0.384 2298 c C 0.156 174.232 174.090 -0.022 0.000 1.832 2298 c CA -1.068 55.236 56.329 -0.041 0.000 1.605 2298 c CB 1.707 44.181 42.510 -0.061 0.000 2.303 2298 c HN 0.738 nan 8.230 nan 0.000 0.473 2299 R N 1.271 121.765 120.500 -0.011 0.000 2.409 2299 R HA 0.375 4.715 4.340 0.000 0.000 0.313 2299 R C -1.680 174.692 176.300 0.119 0.000 0.953 2299 R CA -0.010 56.111 56.100 0.035 0.000 0.849 2299 R CB 0.866 31.165 30.300 -0.001 0.000 1.171 2299 R HN 0.843 nan 8.270 nan 0.000 0.458 2300 D N 3.403 123.915 120.400 0.186 0.000 2.380 2300 D HA 0.044 4.684 4.640 0.000 0.000 0.230 2300 D C -0.064 176.435 176.300 0.333 0.000 1.154 2300 D CA -0.198 54.001 54.000 0.331 0.000 0.859 2300 D CB 1.155 42.170 40.800 0.358 0.000 1.045 2300 D HN 0.669 nan 8.370 nan 0.000 0.495 2301 N N 3.150 122.146 118.700 0.493 0.000 2.412 2301 N HA 0.002 4.743 4.740 0.000 0.000 0.184 2301 N C 0.839 176.405 175.510 0.093 0.000 1.101 2301 N CA 0.123 53.318 53.050 0.240 0.000 0.881 2301 N CB 0.091 38.739 38.487 0.269 0.000 0.969 2301 N HN 0.501 nan 8.380 nan 0.000 0.459 2302 W N 0.692 121.832 121.300 -0.266 0.000 2.560 2302 W HA 0.258 4.918 4.660 0.000 0.000 0.303 2302 W C 1.251 177.711 176.519 -0.099 0.000 1.151 2302 W CA 1.333 58.498 57.345 -0.300 0.000 1.426 2302 W CB -0.025 29.169 29.460 -0.443 0.000 1.135 2302 W HN -0.138 nan 8.180 nan 0.000 0.522 2303 K N -1.555 118.810 120.400 -0.057 0.000 2.485 2303 K HA 0.260 4.580 4.320 0.000 0.000 0.200 2303 K C 0.987 177.526 176.600 -0.103 0.000 1.352 2303 K CA 0.495 56.650 56.287 -0.220 0.000 0.953 2303 K CB 0.265 32.466 32.500 -0.498 0.000 1.387 2303 K HN -0.084 nan 8.250 nan 0.000 0.512 2304 G N 0.466 109.252 108.800 -0.024 0.000 2.390 2304 G HA2 0.372 4.332 3.960 0.000 0.000 0.270 2304 G HA3 0.372 4.332 3.960 0.000 0.000 0.270 2304 G C 0.462 175.380 174.900 0.031 0.000 1.211 2304 G CA -0.052 45.033 45.100 -0.025 0.000 0.842 2304 G HN 0.244 nan 8.290 nan 0.000 0.519 2305 A N 2.513 125.326 122.820 -0.012 0.000 2.195 2305 A HA 0.144 4.464 4.320 0.000 0.000 0.210 2305 A C 1.261 178.857 177.584 0.020 0.000 1.165 2305 A CA 0.040 52.082 52.037 0.008 0.000 0.806 2305 A CB -0.254 18.738 19.000 -0.014 0.000 0.847 2305 A HN 0.710 nan 8.150 nan 0.000 0.482 2306 N N 0.634 119.348 118.700 0.022 0.000 2.515 2306 N HA 0.240 4.980 4.740 0.000 0.000 0.279 2306 N C -0.652 174.981 175.510 0.206 0.000 1.164 2306 N CA -0.371 52.725 53.050 0.075 0.000 0.982 2306 N CB 0.508 39.025 38.487 0.049 0.000 1.170 2306 N HN 0.177 nan 8.380 nan 0.000 0.474 2307 R N 0.517 121.111 120.500 0.157 0.000 2.349 2307 R HA 0.372 4.712 4.340 0.000 0.000 0.299 2307 R C -2.258 174.085 176.300 0.071 0.000 1.027 2307 R CA -1.528 54.642 56.100 0.117 0.000 0.958 2307 R CB 0.671 30.985 30.300 0.025 0.000 1.047 2307 R HN 0.443 nan 8.270 nan 0.000 0.468 2308 P HA 0.061 nan 4.420 nan 0.000 0.271 2308 P C -0.845 176.338 177.300 -0.194 0.000 1.218 2308 P CA -0.194 62.651 63.100 -0.425 0.000 0.780 2308 P CB 0.793 32.233 31.700 -0.432 0.000 0.901 2309 V N 4.474 124.282 119.914 -0.176 0.000 2.588 2309 V HA 0.431 4.551 4.120 0.000 0.000 0.304 2309 V C 0.111 176.162 176.094 -0.071 0.000 1.042 2309 V CA -0.463 61.787 62.300 -0.084 0.000 0.877 2309 V CB 1.666 33.469 31.823 -0.033 0.000 0.996 2309 V HN 0.386 nan 8.190 nan 0.000 0.425 2310 I N 3.199 123.738 120.570 -0.052 0.000 2.433 2310 I HA 0.468 4.638 4.170 0.000 0.000 0.292 2310 I C -0.106 176.002 176.117 -0.015 0.000 1.001 2310 I CA -0.223 61.068 61.300 -0.016 0.000 1.119 2310 I CB 2.251 40.231 38.000 -0.033 0.000 1.289 2310 I HN 0.523 nan 8.210 nan 0.000 0.438 2311 T N 7.102 121.667 114.554 0.018 0.000 2.772 2311 T HA 0.597 4.947 4.350 0.000 0.000 0.288 2311 T C -0.183 174.545 174.700 0.046 0.000 0.994 2311 T CA -0.293 61.808 62.100 0.003 0.000 0.951 2311 T CB 0.720 69.589 68.868 0.001 0.000 0.933 2311 T HN 0.262 nan 8.240 nan 0.000 0.447 2312 I N 2.704 123.287 120.570 0.021 0.000 2.433 2312 I HA 0.339 4.509 4.170 0.000 0.000 0.292 2312 I C -0.265 175.881 176.117 0.048 0.000 1.001 2312 I CA -0.926 60.419 61.300 0.076 0.000 1.119 2312 I CB 1.750 39.781 38.000 0.051 0.000 1.289 2312 I HN 0.455 nan 8.210 nan 0.000 0.438 2313 D N 8.860 129.306 120.400 0.076 0.000 2.428 2313 D HA 0.225 4.865 4.640 0.000 0.000 0.221 2313 D C -1.710 174.628 176.300 0.063 0.000 1.123 2313 D CA -2.337 51.680 54.000 0.027 0.000 0.869 2313 D CB 1.611 42.413 40.800 0.004 0.000 1.032 2313 D HN 0.229 nan 8.370 nan 0.000 0.506 2314 P HA -0.031 nan 4.420 nan 0.000 0.233 2314 P C 0.699 178.050 177.300 0.085 0.000 1.167 2314 P CA 0.652 63.834 63.100 0.137 0.000 0.770 2314 P CB 0.790 32.572 31.700 0.138 0.000 0.837 2315 E N -0.394 119.843 120.200 0.062 0.000 2.030 2315 E HA 0.033 4.383 4.350 0.000 0.000 0.189 2315 E C 1.963 178.535 176.600 -0.046 0.000 0.974 2315 E CA 0.877 57.303 56.400 0.042 0.000 0.807 2315 E CB -0.289 29.456 29.700 0.074 0.000 0.771 2315 E HN 0.084 nan 8.360 nan 0.000 0.451 2316 M N -0.130 119.435 119.600 -0.058 0.000 2.562 2316 M HA 0.070 4.550 4.480 0.000 0.000 0.257 2316 M C 0.582 176.765 176.300 -0.195 0.000 1.099 2316 M CA 0.688 55.930 55.300 -0.097 0.000 1.099 2316 M CB -0.475 32.087 32.600 -0.064 0.000 1.427 2316 M HN 0.223 nan 8.290 nan 0.000 0.489 2317 M N 1.643 121.082 119.600 -0.267 0.000 2.298 2317 M HA -0.178 4.302 4.480 0.000 0.000 0.196 2317 M C -0.279 175.774 176.300 -0.412 0.000 0.531 2317 M CA 0.683 55.555 55.300 -0.714 0.000 0.459 2317 M CB -2.318 29.602 32.600 -1.132 0.000 1.279 2317 M HN 0.406 nan 8.290 nan 0.000 0.915 2318 T N -2.660 111.869 114.554 -0.042 0.000 2.901 2318 T HA 0.914 5.264 4.350 0.000 0.000 0.293 2318 T C -0.537 174.296 174.700 0.222 0.000 1.084 2318 T CA -0.825 61.327 62.100 0.087 0.000 1.008 2318 T CB 2.799 71.657 68.868 -0.017 0.000 1.170 2318 T HN 0.510 nan 8.240 nan 0.000 0.509 2319 H N -0.869 118.235 119.070 0.056 0.000 2.960 2319 H HA 0.814 5.370 4.556 0.000 0.000 0.338 2319 H C -1.234 174.098 175.328 0.007 0.000 1.261 2319 H CA -0.768 55.302 56.048 0.036 0.000 1.136 2319 H CB 1.437 31.223 29.762 0.041 0.000 1.875 2319 H HN 1.005 nan 8.280 nan 0.000 0.550 2320 T N -1.206 113.315 114.554 -0.056 0.000 2.883 2320 T HA 0.604 4.954 4.350 0.000 0.000 0.301 2320 T C -0.548 174.169 174.700 0.027 0.000 1.158 2320 T CA -0.546 61.488 62.100 -0.111 0.000 1.007 2320 T CB 1.676 70.506 68.868 -0.064 0.000 1.186 2320 T HN 0.999 nan 8.240 nan 0.000 0.499 2321 S N 0.175 115.880 115.700 0.008 0.000 2.588 2321 S HA 0.921 5.391 4.470 0.000 0.000 0.275 2321 S C -1.030 173.556 174.600 -0.022 0.000 1.130 2321 S CA -0.817 57.386 58.200 0.005 0.000 0.855 2321 S CB 2.392 65.607 63.200 0.025 0.000 1.116 2321 S HN 1.394 nan 8.310 nan 0.000 0.472 2322 K N 0.016 120.376 120.400 -0.068 0.000 2.522 2322 K HA 0.449 4.769 4.320 0.000 0.000 0.270 2322 K C -1.828 174.677 176.600 -0.159 0.000 0.926 2322 K CA -0.955 55.318 56.287 -0.025 0.000 0.730 2322 K CB 0.161 32.688 32.500 0.045 0.000 1.418 2322 K HN 0.555 nan 8.250 nan 0.000 0.337 2323 Y N 0.483 120.789 120.300 0.010 0.000 2.567 2323 Y HA 0.447 4.997 4.550 0.000 0.000 0.333 2323 Y C 0.272 176.173 175.900 0.002 0.000 1.106 2323 Y CA -1.053 57.050 58.100 0.006 0.000 1.157 2323 Y CB 1.375 39.833 38.460 -0.003 0.000 1.277 2323 Y HN 0.328 nan 8.280 nan 0.000 0.490 2324 L N 1.411 122.729 121.223 0.158 0.000 2.455 2324 L HA -0.075 4.265 4.340 0.000 0.000 0.272 2324 L C 0.460 177.382 176.870 0.087 0.000 1.174 2324 L CA -0.067 54.826 54.840 0.088 0.000 0.869 2324 L CB 0.491 42.584 42.059 0.056 0.000 1.130 2324 L HN 0.960 nan 8.230 nan 0.000 0.474 2325 c N 1.534 120.167 118.600 0.055 0.000 2.450 2325 c HA -0.066 4.504 4.570 0.000 0.000 0.279 2325 c C 1.786 175.883 174.090 0.013 0.000 1.335 2325 c CA -0.051 56.299 56.329 0.035 0.000 1.749 2325 c CB -0.497 42.028 42.510 0.025 0.000 1.963 2325 c HN 0.877 nan 8.230 nan 0.000 0.501 2326 S N 1.122 116.826 115.700 0.007 0.000 2.558 2326 S HA -0.036 4.434 4.470 0.000 0.000 0.291 2326 S C 1.394 175.984 174.600 -0.017 0.000 1.306 2326 S CA 0.038 58.231 58.200 -0.010 0.000 1.056 2326 S CB 0.395 63.583 63.200 -0.019 0.000 0.836 2326 S HN 0.701 nan 8.310 nan 0.000 0.504 2327 K N 2.613 122.998 120.400 -0.025 0.000 2.439 2327 K HA 0.035 4.355 4.320 0.000 0.000 0.197 2327 K C 0.187 176.767 176.600 -0.033 0.000 1.041 2327 K CA 0.534 56.804 56.287 -0.030 0.000 0.970 2327 K CB -0.281 32.201 32.500 -0.030 0.000 0.773 2327 K HN 0.379 nan 8.250 nan 0.000 0.479 2328 V N 3.986 123.878 119.914 -0.037 0.000 2.341 2328 V HA 0.085 4.205 4.120 0.000 0.000 0.248 2328 V C 0.238 176.304 176.094 -0.046 0.000 1.107 2328 V CA -0.134 62.139 62.300 -0.045 0.000 1.069 2328 V CB -0.515 31.275 31.823 -0.055 0.000 1.177 2328 V HN 0.216 nan 8.190 nan 0.000 0.492 2329 L N 4.791 125.989 121.223 -0.042 0.000 2.416 2329 L HA 0.278 4.618 4.340 0.000 0.000 0.272 2329 L C 1.371 178.211 176.870 -0.049 0.000 1.161 2329 L CA 0.182 55.001 54.840 -0.036 0.000 0.845 2329 L CB 0.818 42.860 42.059 -0.030 0.000 1.119 2329 L HN 0.737 nan 8.230 nan 0.000 0.464 2330 T N -3.850 110.676 114.554 -0.047 0.000 3.043 2330 T HA 0.104 4.454 4.350 0.000 0.000 0.272 2330 T C 0.346 175.019 174.700 -0.044 0.000 0.990 2330 T CA -0.501 61.553 62.100 -0.076 0.000 0.897 2330 T CB 0.170 68.962 68.868 -0.125 0.000 1.111 2330 T HN 0.448 nan 8.240 nan 0.000 0.529 2331 D N 1.837 122.233 120.400 -0.007 0.000 2.398 2331 D HA 0.350 4.990 4.640 0.000 0.000 0.247 2331 D C -0.533 175.784 176.300 0.028 0.000 1.227 2331 D CA 0.215 54.228 54.000 0.022 0.000 0.980 2331 D CB 1.548 42.374 40.800 0.043 0.000 1.106 2331 D HN 0.074 nan 8.370 nan 0.000 0.493 2332 T N 0.786 115.373 114.554 0.056 0.000 2.797 2332 T HA 0.458 4.808 4.350 0.000 0.000 0.279 2332 T C -0.933 173.806 174.700 0.066 0.000 0.991 2332 T CA -0.301 61.838 62.100 0.065 0.000 0.979 2332 T CB 0.752 69.679 68.868 0.099 0.000 0.943 2332 T HN 0.374 nan 8.240 nan 0.000 0.444 2333 S N 2.321 118.052 115.700 0.052 0.000 3.741 2333 S HA -0.085 4.385 4.470 0.000 0.000 0.746 2333 S C -0.157 174.460 174.600 0.028 0.000 0.477 2333 S CA -0.240 57.986 58.200 0.043 0.000 1.449 2333 S CB -0.468 62.762 63.200 0.051 0.000 0.863 2333 S HN 0.936 nan 8.310 nan 0.000 1.075 2334 R N 2.209 122.719 120.500 0.017 0.000 2.837 2334 R HA 0.836 5.176 4.340 0.000 0.000 0.271 2334 R C -3.111 173.187 176.300 -0.004 0.000 0.993 2334 R CA -2.189 53.912 56.100 0.002 0.000 0.931 2334 R CB 1.434 31.731 30.300 -0.005 0.000 1.206 2334 R HN 0.241 nan 8.270 nan 0.000 0.474 2335 P HA 0.056 nan 4.420 nan 0.000 0.289 2335 P C -0.794 176.497 177.300 -0.016 0.000 1.299 2335 P CA -0.565 62.526 63.100 -0.014 0.000 0.766 2335 P CB 0.370 32.057 31.700 -0.022 0.000 1.226 2336 N N 0.502 119.192 118.700 -0.016 0.000 2.374 2336 N HA 0.005 4.745 4.740 0.000 0.000 0.241 2336 N C -0.070 175.425 175.510 -0.024 0.000 1.262 2336 N CA 0.411 53.450 53.050 -0.018 0.000 0.880 2336 N CB -0.282 38.195 38.487 -0.016 0.000 1.105 2336 N HN 0.360 nan 8.380 nan 0.000 0.438 2337 D N 1.802 122.186 120.400 -0.026 0.000 2.488 2337 D HA 0.100 4.741 4.640 0.000 0.000 0.238 2337 D C -1.507 174.776 176.300 -0.029 0.000 1.138 2337 D CA -0.325 53.657 54.000 -0.030 0.000 0.873 2337 D CB 0.236 41.017 40.800 -0.031 0.000 1.183 2337 D HN 0.343 nan 8.370 nan 0.000 0.458 2338 P HA 0.138 nan 4.420 nan 0.000 0.282 2338 P C 0.565 177.848 177.300 -0.029 0.000 1.287 2338 P CA -0.436 62.645 63.100 -0.031 0.000 0.792 2338 P CB 0.634 32.312 31.700 -0.037 0.000 1.163 2339 T N -0.900 113.638 114.554 -0.027 0.000 2.833 2339 T HA -0.054 4.296 4.350 0.000 0.000 0.269 2339 T C 0.396 175.081 174.700 -0.025 0.000 1.054 2339 T CA 1.436 63.521 62.100 -0.025 0.000 1.135 2339 T CB -0.508 68.346 68.868 -0.022 0.000 0.869 2339 T HN 0.519 nan 8.240 nan 0.000 0.466 2340 N N -0.524 118.158 118.700 -0.029 0.000 2.264 2340 N HA 0.537 5.277 4.740 0.000 0.000 0.288 2340 N C -0.043 175.447 175.510 -0.033 0.000 1.094 2340 N CA -0.573 52.460 53.050 -0.028 0.000 0.817 2340 N CB 1.849 40.320 38.487 -0.027 0.000 1.604 2340 N HN 0.156 nan 8.380 nan 0.000 0.473 2341 G N 0.180 108.962 108.800 -0.030 0.000 2.516 2341 G HA2 0.222 4.182 3.960 0.000 0.000 0.276 2341 G HA3 0.222 4.182 3.960 0.000 0.000 0.276 2341 G C -0.590 174.287 174.900 -0.039 0.000 1.390 2341 G CA -0.009 45.071 45.100 -0.034 0.000 1.050 2341 G HN 0.532 nan 8.290 nan 0.000 0.519 2342 N N -1.693 116.981 118.700 -0.044 0.000 2.549 2342 N HA 0.108 4.848 4.740 0.000 0.000 0.290 2342 N C 0.624 176.126 175.510 -0.013 0.000 1.122 2342 N CA -0.610 52.410 53.050 -0.052 0.000 0.885 2342 N CB 1.341 39.764 38.487 -0.106 0.000 1.455 2342 N HN 0.255 nan 8.380 nan 0.000 0.521 2343 c N 1.684 120.297 118.600 0.022 0.000 2.432 2343 c HA 0.053 4.623 4.570 0.000 0.000 0.280 2343 c C 0.947 175.117 174.090 0.133 0.000 1.353 2343 c CA 0.570 56.944 56.329 0.074 0.000 1.766 2343 c CB -0.719 41.821 42.510 0.050 0.000 1.924 2343 c HN 0.717 nan 8.230 nan 0.000 0.509 2344 D N -0.524 119.927 120.400 0.084 0.000 2.563 2344 D HA 0.468 5.108 4.640 0.000 0.000 0.237 2344 D C 0.072 176.412 176.300 0.067 0.000 1.282 2344 D CA 0.292 54.367 54.000 0.124 0.000 0.816 2344 D CB 0.460 41.299 40.800 0.065 0.000 1.066 2344 D HN 0.445 nan 8.370 nan 0.000 0.501 2345 A N 1.149 123.892 122.820 -0.129 0.000 2.594 2345 A HA 0.638 4.958 4.320 0.000 0.000 0.295 2345 A C -2.864 174.246 177.584 -0.791 0.000 1.071 2345 A CA -1.423 50.417 52.037 -0.329 0.000 0.685 2345 A CB 1.484 20.366 19.000 -0.195 0.000 1.285 2345 A HN -0.185 nan 8.150 nan 0.000 0.405 2346 P HA 0.395 nan 4.420 nan 0.000 0.275 2346 P C -0.810 176.234 177.300 -0.426 0.000 1.227 2346 P CA 0.201 62.807 63.100 -0.823 0.000 0.781 2346 P CB 0.640 32.044 31.700 -0.494 0.000 0.906 2347 I N 2.631 123.015 120.570 -0.311 0.000 2.312 2347 I HA 0.172 4.342 4.170 0.000 0.000 0.290 2347 I C 1.419 177.452 176.117 -0.141 0.000 1.008 2347 I CA -0.293 60.895 61.300 -0.187 0.000 1.226 2347 I CB 1.193 39.111 38.000 -0.137 0.000 1.371 2347 I HN 0.346 nan 8.210 nan 0.000 0.468 2348 T N 2.474 116.950 114.554 -0.129 0.000 2.816 2348 T HA 0.843 5.193 4.350 0.000 0.000 0.282 2348 T C 0.350 175.010 174.700 -0.066 0.000 0.993 2348 T CA -0.063 61.975 62.100 -0.103 0.000 0.994 2348 T CB 1.775 70.576 68.868 -0.111 0.000 1.025 2348 T HN 1.040 nan 8.240 nan 0.000 0.529 2349 G N -1.416 107.357 108.800 -0.046 0.000 2.343 2349 G HA2 0.526 4.486 3.960 0.000 0.000 0.465 2349 G HA3 0.526 4.486 3.960 0.000 0.000 0.465 2349 G C -0.074 174.819 174.900 -0.012 0.000 1.282 2349 G CA -0.121 44.962 45.100 -0.028 0.000 0.996 2349 G HN 2.584 nan 8.290 nan 0.000 0.521 2350 G N -1.996 106.802 108.800 -0.004 0.000 2.650 2350 G HA2 0.539 4.499 3.960 0.000 0.000 0.686 2350 G HA3 0.539 4.499 3.960 0.000 0.000 0.686 2350 G C -0.266 174.644 174.900 0.015 0.000 1.205 2350 G CA 0.999 46.104 45.100 0.008 0.000 0.781 2350 G HN 2.507 nan 8.290 nan 0.000 0.648 2351 S N 1.312 117.026 115.700 0.022 0.000 2.563 2351 S HA 0.807 5.277 4.470 0.000 0.000 0.279 2351 S C -2.365 172.256 174.600 0.035 0.000 1.155 2351 S CA -0.067 58.148 58.200 0.025 0.000 0.928 2351 S CB 2.472 65.684 63.200 0.019 0.000 1.107 2351 S HN 0.783 nan 8.310 nan 0.000 0.462 2352 P HA 0.370 nan 4.420 nan 0.000 0.274 2352 P C -0.810 176.514 177.300 0.040 0.000 1.352 2352 P CA -0.049 63.071 63.100 0.034 0.000 0.947 2352 P CB 0.086 31.804 31.700 0.030 0.000 1.437 2353 D N 1.889 122.319 120.400 0.050 0.000 2.177 2353 D HA 0.180 4.820 4.640 0.000 0.000 0.247 2353 D C -1.368 174.970 176.300 0.063 0.000 1.063 2353 D CA -1.901 52.136 54.000 0.061 0.000 0.867 2353 D CB 1.431 42.279 40.800 0.079 0.000 1.168 2353 D HN 0.073 nan 8.370 nan 0.000 0.445 2354 P HA 0.082 nan 4.420 nan 0.000 0.229 2354 P C 0.270 177.624 177.300 0.089 0.000 1.160 2354 P CA 0.359 63.503 63.100 0.074 0.000 0.777 2354 P CB 0.766 32.511 31.700 0.075 0.000 0.814 2355 G N -1.696 107.163 108.800 0.098 0.000 2.387 2355 G HA2 0.436 4.396 3.960 0.000 0.000 0.294 2355 G HA3 0.436 4.396 3.960 0.000 0.000 0.294 2355 G C -2.381 172.589 174.900 0.116 0.000 1.509 2355 G CA -0.287 44.874 45.100 0.102 0.000 0.806 2355 G HN 0.038 nan 8.290 nan 0.000 0.546 2356 V N -0.088 119.876 119.914 0.083 0.000 3.147 2356 V HA 0.760 4.880 4.120 0.000 0.000 0.306 2356 V C -0.296 175.718 176.094 -0.132 0.000 1.209 2356 V CA -1.065 61.276 62.300 0.067 0.000 1.023 2356 V CB 2.047 33.985 31.823 0.193 0.000 1.059 2356 V HN 1.057 nan 8.190 nan 0.000 0.435 2357 K N 2.555 122.616 120.400 -0.565 0.000 2.401 2357 K HA 0.599 4.919 4.320 0.000 0.000 0.278 2357 K C 0.014 176.527 176.600 -0.145 0.000 1.018 2357 K CA 0.903 56.872 56.287 -0.530 0.000 0.981 2357 K CB 0.754 32.622 32.500 -1.053 0.000 0.933 2357 K HN 1.063 nan 8.250 nan 0.000 0.477 2358 G N 2.222 111.002 108.800 -0.033 0.000 2.706 2358 G HA2 0.626 4.586 3.960 0.000 0.000 0.307 2358 G HA3 0.626 4.586 3.960 0.000 0.000 0.307 2358 G C -1.666 173.324 174.900 0.149 0.000 1.307 2358 G CA -0.725 44.440 45.100 0.110 0.000 0.790 2358 G HN 0.658 nan 8.290 nan 0.000 0.503 2359 F N -2.258 117.637 119.950 -0.091 0.000 2.779 2359 F HA 0.934 5.461 4.527 0.000 0.000 0.316 2359 F C -0.637 175.070 175.800 -0.155 0.000 1.164 2359 F CA -1.121 56.787 58.000 -0.153 0.000 0.924 2359 F CB 1.312 40.168 39.000 -0.240 0.000 1.348 2359 F HN 1.460 nan 8.300 nan 0.000 0.467 2360 A N 0.722 123.336 122.820 -0.343 0.000 2.608 2360 A HA 0.755 5.075 4.320 0.000 0.000 0.292 2360 A C -2.461 175.003 177.584 -0.200 0.000 1.066 2360 A CA -0.668 51.162 52.037 -0.345 0.000 0.676 2360 A CB 0.975 19.882 19.000 -0.155 0.000 1.277 2360 A HN 0.717 nan 8.150 nan 0.000 0.413 2361 F N 0.586 120.622 119.950 0.143 0.000 2.427 2361 F HA 0.635 5.162 4.527 0.000 0.000 0.346 2361 F C -0.076 175.845 175.800 0.203 0.000 1.120 2361 F CA -0.396 57.645 58.000 0.069 0.000 1.033 2361 F CB 1.835 40.843 39.000 0.014 0.000 1.126 2361 F HN 0.348 nan 8.300 nan 0.000 0.462 2362 L N 3.707 125.203 121.223 0.456 0.000 2.342 2362 L HA 0.431 4.771 4.340 0.000 0.000 0.276 2362 L C -0.946 176.110 176.870 0.310 0.000 0.997 2362 L CA -0.338 54.690 54.840 0.313 0.000 0.838 2362 L CB 1.479 43.684 42.059 0.243 0.000 1.224 2362 L HN 0.496 nan 8.230 nan 0.000 0.416 2363 D N 2.720 123.259 120.400 0.232 0.000 3.118 2363 D HA 0.383 5.023 4.640 0.000 0.000 0.286 2363 D C 0.703 177.076 176.300 0.122 0.000 1.255 2363 D CA 0.677 54.792 54.000 0.192 0.000 0.748 2363 D CB 0.713 41.639 40.800 0.210 0.000 1.332 2363 D HN 0.669 nan 8.370 nan 0.000 0.575 2364 G N 1.788 110.645 108.800 0.095 0.000 2.629 2364 G HA2 -0.401 3.559 3.960 0.000 0.000 0.313 2364 G HA3 -0.401 3.559 3.960 0.000 0.000 0.313 2364 G C 1.076 175.998 174.900 0.036 0.000 1.217 2364 G CA 0.553 45.687 45.100 0.056 0.000 0.994 2364 G HN 0.392 nan 8.290 nan 0.000 0.549 2365 E N 0.966 121.179 120.200 0.022 0.000 2.204 2365 E HA -0.106 4.244 4.350 0.000 0.000 0.195 2365 E C 1.733 178.327 176.600 -0.009 0.000 0.990 2365 E CA 1.185 57.582 56.400 -0.004 0.000 0.821 2365 E CB -0.250 29.447 29.700 -0.006 0.000 0.750 2365 E HN 0.431 nan 8.360 nan 0.000 0.477 2366 N N 1.141 119.866 118.700 0.042 0.000 3.052 2366 N HA 0.003 4.743 4.740 0.000 0.000 0.302 2366 N C -1.388 174.223 175.510 0.168 0.000 1.332 2366 N CA -0.015 53.091 53.050 0.094 0.000 1.129 2366 N CB 0.125 38.679 38.487 0.111 0.000 1.436 2366 N HN -0.208 nan 8.380 nan 0.000 0.536 2367 S N 0.472 116.212 115.700 0.067 0.000 2.472 2367 S HA 0.508 4.978 4.470 0.000 0.000 0.303 2367 S C -1.164 173.470 174.600 0.056 0.000 1.099 2367 S CA -0.556 57.732 58.200 0.145 0.000 1.077 2367 S CB 0.844 64.094 63.200 0.084 0.000 1.031 2367 S HN 0.333 nan 8.310 nan 0.000 0.487 2368 W N 2.549 123.964 121.300 0.193 0.000 2.883 2368 W HA 0.624 5.284 4.660 0.000 0.000 0.335 2368 W C -1.135 175.392 176.519 0.012 0.000 1.083 2368 W CA -0.605 56.852 57.345 0.186 0.000 1.233 2368 W CB 1.043 30.772 29.460 0.449 0.000 1.412 2368 W HN 0.324 nan 8.180 nan 0.000 0.490 2369 L N 3.259 124.547 121.223 0.109 0.000 2.341 2369 L HA 0.824 5.164 4.340 0.000 0.000 0.278 2369 L C 0.603 177.289 176.870 -0.307 0.000 1.005 2369 L CA -0.976 53.760 54.840 -0.173 0.000 0.818 2369 L CB 1.392 43.370 42.059 -0.136 0.000 1.259 2369 L HN 0.568 nan 8.230 nan 0.000 0.418 2370 G N 2.409 110.796 108.800 -0.689 0.000 2.389 2370 G HA2 0.817 4.777 3.960 0.000 0.000 0.317 2370 G HA3 0.817 4.777 3.960 0.000 0.000 0.317 2370 G C -0.792 173.783 174.900 -0.543 0.000 1.137 2370 G CA -0.456 44.268 45.100 -0.626 0.000 0.870 2370 G HN 0.794 nan 8.290 nan 0.000 0.496 2371 R N -0.920 119.071 120.500 -0.848 0.000 2.741 2371 R HA 0.560 4.900 4.340 0.000 0.000 0.276 2371 R C -0.461 175.326 176.300 -0.855 0.000 1.028 2371 R CA -0.871 54.852 56.100 -0.630 0.000 0.865 2371 R CB 0.277 30.392 30.300 -0.308 0.000 1.268 2371 R HN 0.638 nan 8.270 nan 0.000 0.475 2372 T N -0.957 113.402 114.554 -0.325 0.000 2.898 2372 T HA 0.267 4.617 4.350 0.000 0.000 0.301 2372 T C 1.435 176.063 174.700 -0.119 0.000 1.049 2372 T CA -0.670 61.361 62.100 -0.114 0.000 1.095 2372 T CB 0.548 69.471 68.868 0.092 0.000 0.976 2372 T HN 0.550 nan 8.240 nan 0.000 0.539 2373 I N 0.884 121.422 120.570 -0.054 0.000 2.286 2373 I HA -0.045 4.125 4.170 0.000 0.000 0.245 2373 I C 1.964 178.072 176.117 -0.016 0.000 1.104 2373 I CA 0.557 61.832 61.300 -0.041 0.000 1.397 2373 I CB -0.309 37.685 38.000 -0.009 0.000 1.072 2373 I HN 0.688 nan 8.210 nan 0.000 0.417 2374 S N 1.564 117.272 115.700 0.014 0.000 2.549 2374 S HA -0.007 4.463 4.470 0.000 0.000 0.283 2374 S C 1.259 175.876 174.600 0.027 0.000 1.320 2374 S CA -0.449 57.768 58.200 0.028 0.000 1.058 2374 S CB 0.599 63.837 63.200 0.063 0.000 0.882 2374 S HN 0.364 nan 8.310 nan 0.000 0.498 2375 K N 3.052 123.464 120.400 0.020 0.000 2.365 2375 K HA 0.072 4.392 4.320 0.000 0.000 0.197 2375 K C 0.202 176.823 176.600 0.035 0.000 1.042 2375 K CA 0.730 57.026 56.287 0.016 0.000 0.987 2375 K CB 0.101 32.603 32.500 0.004 0.000 0.779 2375 K HN 0.485 nan 8.250 nan 0.000 0.484 2376 D N 0.456 120.886 120.400 0.050 0.000 2.394 2376 D HA 0.094 4.734 4.640 0.000 0.000 0.226 2376 D C 0.206 176.559 176.300 0.089 0.000 0.990 2376 D CA 0.361 54.397 54.000 0.061 0.000 0.902 2376 D CB 0.644 41.479 40.800 0.059 0.000 1.038 2376 D HN 0.053 nan 8.370 nan 0.000 0.499 2377 S N -0.599 115.172 115.700 0.118 0.000 2.704 2377 S HA 0.433 4.903 4.470 0.000 0.000 0.296 2377 S C -0.017 174.711 174.600 0.214 0.000 1.138 2377 S CA -0.733 57.571 58.200 0.175 0.000 0.875 2377 S CB 2.379 65.724 63.200 0.242 0.000 1.151 2377 S HN -0.084 nan 8.310 nan 0.000 0.500 2378 R N 1.850 122.512 120.500 0.271 0.000 4.792 2378 R HA 0.234 4.574 4.340 0.000 0.000 0.205 2378 R C -0.370 176.182 176.300 0.420 0.000 1.875 2378 R CA -0.134 56.152 56.100 0.310 0.000 1.588 2378 R CB -0.412 30.051 30.300 0.271 0.000 1.401 2378 R HN 0.550 nan 8.270 nan 0.000 0.834 2379 S N -0.980 114.908 115.700 0.313 0.000 2.536 2379 S HA 0.797 5.267 4.470 0.000 0.000 0.287 2379 S C 0.209 174.886 174.600 0.127 0.000 1.101 2379 S CA -0.458 57.862 58.200 0.200 0.000 0.950 2379 S CB 2.280 65.452 63.200 -0.046 0.000 1.056 2379 S HN 0.516 nan 8.310 nan 0.000 0.481 2380 G N 0.465 109.330 108.800 0.109 0.000 2.856 2380 G HA2 0.006 3.966 3.960 0.000 0.000 0.674 2380 G HA3 0.006 3.966 3.960 0.000 0.000 0.674 2380 G C -1.194 173.854 174.900 0.246 0.000 1.519 2380 G CA -0.266 44.915 45.100 0.134 0.000 0.940 2380 G HN 1.546 nan 8.290 nan 0.000 0.564 2381 Y N 0.511 120.880 120.300 0.116 0.000 2.436 2381 Y HA 0.531 5.081 4.550 0.000 0.000 0.327 2381 Y C -0.359 175.610 175.900 0.116 0.000 1.138 2381 Y CA -0.209 57.965 58.100 0.124 0.000 1.042 2381 Y CB 1.588 40.155 38.460 0.179 0.000 1.302 2381 Y HN 1.006 nan 8.280 nan 0.000 0.439 2382 E N 5.403 125.458 120.200 -0.241 0.000 2.314 2382 E HA 0.540 4.890 4.350 0.000 0.000 0.272 2382 E C -1.607 174.928 176.600 -0.110 0.000 0.884 2382 E CA -1.250 55.122 56.400 -0.046 0.000 0.753 2382 E CB 2.246 31.920 29.700 -0.043 0.000 1.213 2382 E HN 0.353 nan 8.360 nan 0.000 0.432 2383 M N 3.130 122.778 119.600 0.080 0.000 2.180 2383 M HA 0.417 4.897 4.480 0.000 0.000 0.350 2383 M C -0.889 175.635 176.300 0.374 0.000 1.125 2383 M CA -0.723 54.659 55.300 0.136 0.000 1.031 2383 M CB 0.728 33.333 32.600 0.009 0.000 1.623 2383 M HN 0.609 nan 8.290 nan 0.000 0.451 2384 L N 2.792 124.183 121.223 0.279 0.000 2.356 2384 L HA 0.517 4.857 4.340 0.000 0.000 0.277 2384 L C 0.097 176.902 176.870 -0.109 0.000 0.996 2384 L CA -0.739 54.161 54.840 0.101 0.000 0.822 2384 L CB 1.935 43.981 42.059 -0.021 0.000 1.256 2384 L HN 0.612 nan 8.230 nan 0.000 0.413 2385 K N 2.964 122.994 120.400 -0.617 0.000 2.284 2385 K HA 0.445 4.765 4.320 0.000 0.000 0.287 2385 K C -1.100 175.208 176.600 -0.487 0.000 1.081 2385 K CA -0.344 55.285 56.287 -1.096 0.000 0.910 2385 K CB 0.839 32.396 32.500 -1.572 0.000 1.088 2385 K HN 0.421 nan 8.250 nan 0.000 0.478 2386 V N 7.602 127.320 119.914 -0.326 0.000 2.320 2386 V HA 0.238 4.358 4.120 0.000 0.000 0.268 2386 V C -2.325 173.693 176.094 -0.127 0.000 1.021 2386 V CA -2.088 60.108 62.300 -0.174 0.000 0.813 2386 V CB 0.836 32.595 31.823 -0.107 0.000 1.054 2386 V HN 0.810 nan 8.190 nan 0.000 0.444 2387 P HA 0.102 nan 4.420 nan 0.000 0.262 2387 P C 0.518 177.794 177.300 -0.040 0.000 1.182 2387 P CA 0.557 63.611 63.100 -0.076 0.000 0.761 2387 P CB 0.179 31.835 31.700 -0.072 0.000 0.795 2388 N N 1.006 119.699 118.700 -0.012 0.000 2.725 2388 N HA -0.241 4.499 4.740 0.000 0.000 0.249 2388 N C 0.914 176.427 175.510 0.004 0.000 1.103 2388 N CA 1.074 54.126 53.050 0.003 0.000 0.707 2388 N CB -1.524 36.963 38.487 -0.001 0.000 1.043 2388 N HN 0.533 nan 8.380 nan 0.000 0.553 2389 A N 0.339 123.161 122.820 0.003 0.000 2.019 2389 A HA -0.154 4.166 4.320 0.000 0.000 0.219 2389 A C 2.047 179.644 177.584 0.021 0.000 1.164 2389 A CA 1.764 53.802 52.037 0.002 0.000 0.644 2389 A CB -0.230 18.768 19.000 -0.004 0.000 0.805 2389 A HN 0.511 nan 8.150 nan 0.000 0.449 2390 E N -0.651 119.571 120.200 0.037 0.000 2.268 2390 E HA -0.126 4.224 4.350 0.000 0.000 0.195 2390 E C 1.576 178.197 176.600 0.036 0.000 0.995 2390 E CA 1.521 57.948 56.400 0.045 0.000 0.836 2390 E CB 0.094 29.831 29.700 0.062 0.000 0.763 2390 E HN 0.766 nan 8.360 nan 0.000 0.491 2391 T N -3.303 111.267 114.554 0.027 0.000 2.986 2391 T HA 0.085 4.435 4.350 0.000 0.000 0.264 2391 T C 0.107 174.815 174.700 0.013 0.000 0.964 2391 T CA -0.499 61.614 62.100 0.021 0.000 0.895 2391 T CB 0.491 69.371 68.868 0.020 0.000 1.163 2391 T HN -0.134 nan 8.240 nan 0.000 0.517 2392 D N 1.941 122.345 120.400 0.007 0.000 2.440 2392 D HA 0.298 4.938 4.640 0.000 0.000 0.239 2392 D C 1.426 177.723 176.300 -0.004 0.000 1.084 2392 D CA -0.924 53.075 54.000 -0.000 0.000 0.843 2392 D CB 1.368 42.165 40.800 -0.006 0.000 1.097 2392 D HN 0.410 nan 8.370 nan 0.000 0.531 2393 I N 0.539 121.106 120.570 -0.005 0.000 2.916 2393 I HA -0.122 4.048 4.170 0.000 0.000 0.267 2393 I C 0.900 177.007 176.117 -0.016 0.000 1.263 2393 I CA 0.835 62.129 61.300 -0.010 0.000 1.471 2393 I CB 0.026 38.018 38.000 -0.013 0.000 1.089 2393 I HN 0.260 nan 8.210 nan 0.000 0.468 2394 Q N 1.773 121.563 119.800 -0.016 0.000 2.356 2394 Q HA 0.118 4.458 4.340 0.000 0.000 0.205 2394 Q C 0.754 176.740 176.000 -0.023 0.000 0.901 2394 Q CA 0.203 55.995 55.803 -0.019 0.000 0.938 2394 Q CB 0.376 29.104 28.738 -0.017 0.000 1.081 2394 Q HN 0.678 nan 8.270 nan 0.000 0.517 2395 S N 0.217 115.903 115.700 -0.024 0.000 2.544 2395 S HA 0.338 4.808 4.470 0.000 0.000 0.290 2395 S C 0.329 174.905 174.600 -0.039 0.000 1.276 2395 S CA -0.155 58.026 58.200 -0.032 0.000 1.075 2395 S CB 1.088 64.270 63.200 -0.029 0.000 0.849 2395 S HN 0.245 nan 8.310 nan 0.000 0.494 2396 G N 2.123 110.896 108.800 -0.046 0.000 2.685 2396 G HA2 0.695 4.655 3.960 0.000 0.000 0.298 2396 G HA3 0.695 4.655 3.960 0.000 0.000 0.298 2396 G C -3.303 171.555 174.900 -0.071 0.000 1.277 2396 G CA -2.198 42.871 45.100 -0.052 0.000 0.986 2396 G HN 0.560 nan 8.290 nan 0.000 0.487 2397 P HA 0.244 nan 4.420 nan 0.000 0.276 2397 P C 0.724 177.968 177.300 -0.094 0.000 1.230 2397 P CA -0.265 62.775 63.100 -0.099 0.000 0.776 2397 P CB 0.960 32.616 31.700 -0.073 0.000 0.888 2398 I N -0.377 120.113 120.570 -0.133 0.000 4.139 2398 I HA 0.285 4.455 4.170 0.000 0.000 0.335 2398 I C 0.031 176.092 176.117 -0.093 0.000 1.327 2398 I CA -0.063 61.175 61.300 -0.103 0.000 1.112 2398 I CB 0.334 38.270 38.000 -0.107 0.000 1.058 2398 I HN 0.246 nan 8.210 nan 0.000 0.396 2399 S N 1.212 116.833 115.700 -0.132 0.000 2.588 2399 S HA 0.678 5.148 4.470 0.000 0.000 0.269 2399 S C -1.068 173.538 174.600 0.011 0.000 1.157 2399 S CA -0.639 57.534 58.200 -0.045 0.000 0.824 2399 S CB 1.810 64.998 63.200 -0.020 0.000 1.126 2399 S HN 0.576 nan 8.310 nan 0.000 0.464 2400 N N -0.290 118.505 118.700 0.158 0.000 2.591 2400 N HA 0.577 5.317 4.740 0.000 0.000 0.263 2400 N C -1.741 173.972 175.510 0.339 0.000 1.308 2400 N CA -0.707 52.489 53.050 0.244 0.000 0.837 2400 N CB 1.932 40.500 38.487 0.135 0.000 1.548 2400 N HN 0.854 nan 8.380 nan 0.000 0.493 2401 Q N 1.332 121.358 119.800 0.377 0.000 2.280 2401 Q HA 0.374 4.714 4.340 0.000 0.000 0.259 2401 Q C -1.826 174.352 176.000 0.297 0.000 0.964 2401 Q CA -0.818 55.202 55.803 0.362 0.000 0.844 2401 Q CB 2.095 31.127 28.738 0.491 0.000 1.334 2401 Q HN 0.582 nan 8.270 nan 0.000 0.423 2402 V N 6.051 126.117 119.914 0.252 0.000 2.470 2402 V HA 0.055 4.175 4.120 0.000 0.000 0.276 2402 V C 0.929 177.210 176.094 0.312 0.000 1.040 2402 V CA 0.128 62.568 62.300 0.234 0.000 1.008 2402 V CB 0.813 32.744 31.823 0.181 0.000 0.990 2402 V HN 0.802 nan 8.190 nan 0.000 0.477 2403 I N 5.183 125.971 120.570 0.363 0.000 2.810 2403 I HA 0.148 4.318 4.170 0.000 0.000 0.262 2403 I C 0.561 176.922 176.117 0.407 0.000 1.131 2403 I CA 1.223 62.800 61.300 0.462 0.000 1.453 2403 I CB 0.184 38.513 38.000 0.549 0.000 1.161 2403 I HN 0.330 nan 8.210 nan 0.000 0.444 2404 V N 3.085 123.208 119.914 0.348 0.000 2.577 2404 V HA 0.264 4.384 4.120 0.000 0.000 0.303 2404 V C -0.505 175.706 176.094 0.194 0.000 1.042 2404 V CA -1.238 61.229 62.300 0.279 0.000 0.872 2404 V CB 1.702 33.705 31.823 0.299 0.000 0.998 2404 V HN 0.407 nan 8.190 nan 0.000 0.423 2405 N N 2.733 121.517 118.700 0.140 0.000 2.415 2405 N HA -0.007 4.733 4.740 0.000 0.000 0.248 2405 N C 0.642 176.149 175.510 -0.004 0.000 1.271 2405 N CA 0.034 53.120 53.050 0.061 0.000 0.913 2405 N CB 0.179 38.682 38.487 0.026 0.000 1.129 2405 N HN 0.691 nan 8.380 nan 0.000 0.444 2406 N N -0.219 118.464 118.700 -0.029 0.000 2.571 2406 N HA -0.103 4.637 4.740 0.000 0.000 0.189 2406 N C 0.263 175.668 175.510 -0.175 0.000 1.154 2406 N CA 0.146 53.150 53.050 -0.076 0.000 0.907 2406 N CB 0.067 38.525 38.487 -0.049 0.000 0.977 2406 N HN 0.598 nan 8.380 nan 0.000 0.449 2407 Q N -0.399 119.285 119.800 -0.194 0.000 2.360 2407 Q HA 0.107 4.447 4.340 0.000 0.000 0.202 2407 Q C -0.569 175.174 176.000 -0.428 0.000 0.915 2407 Q CA 0.306 55.937 55.803 -0.287 0.000 0.943 2407 Q CB 0.415 29.017 28.738 -0.226 0.000 1.064 2407 Q HN 0.316 nan 8.270 nan 0.000 0.511 2408 N N -1.065 117.409 118.700 -0.377 0.000 2.321 2408 N HA 0.329 5.069 4.740 0.000 0.000 0.290 2408 N C -1.647 173.683 175.510 -0.301 0.000 1.212 2408 N CA -0.668 52.149 53.050 -0.389 0.000 0.767 2408 N CB 1.041 39.442 38.487 -0.143 0.000 1.494 2408 N HN 0.043 nan 8.380 nan 0.000 0.479 2409 W N 0.829 122.177 121.300 0.081 0.000 2.261 2409 W HA 0.397 5.057 4.660 0.000 0.000 0.323 2409 W C 0.908 177.511 176.519 0.140 0.000 1.243 2409 W CA -0.376 57.028 57.345 0.098 0.000 1.210 2409 W CB 0.724 30.227 29.460 0.072 0.000 1.149 2409 W HN 0.530 nan 8.180 nan 0.000 0.562 2410 S N 1.544 117.499 115.700 0.425 0.000 3.362 2410 S HA 0.979 5.449 4.470 0.000 0.000 0.235 2410 S C 0.197 174.986 174.600 0.316 0.000 1.026 2410 S CA -0.133 58.273 58.200 0.344 0.000 1.257 2410 S CB 1.283 64.713 63.200 0.382 0.000 1.187 2410 S HN 0.869 nan 8.310 nan 0.000 0.660 2411 G N -0.787 108.201 108.800 0.314 0.000 2.498 2411 G HA2 0.355 4.315 3.960 0.000 0.000 0.181 2411 G HA3 0.355 4.315 3.960 0.000 0.000 0.181 2411 G C -1.733 173.421 174.900 0.423 0.000 1.169 2411 G CA -0.743 44.539 45.100 0.304 0.000 0.992 2411 G HN 0.502 nan 8.290 nan 0.000 0.490 2412 Y N 1.471 121.892 120.300 0.202 0.000 2.426 2412 Y HA 0.549 5.099 4.550 0.000 0.000 0.344 2412 Y C 1.208 177.190 175.900 0.137 0.000 1.256 2412 Y CA -0.451 57.771 58.100 0.204 0.000 1.451 2412 Y CB 1.160 39.772 38.460 0.254 0.000 1.342 2412 Y HN 0.751 nan 8.280 nan 0.000 0.600 2413 S N -0.143 115.641 115.700 0.141 0.000 2.546 2413 S HA 0.939 5.409 4.470 0.000 0.000 0.274 2413 S C -0.510 173.887 174.600 -0.337 0.000 1.121 2413 S CA -0.353 57.691 58.200 -0.260 0.000 0.887 2413 S CB 2.187 65.330 63.200 -0.096 0.000 1.094 2413 S HN 1.019 nan 8.310 nan 0.000 0.474 2414 G N -0.166 108.026 108.800 -1.013 0.000 2.649 2414 G HA2 0.799 4.759 3.960 0.000 0.000 0.290 2414 G HA3 0.799 4.759 3.960 0.000 0.000 0.290 2414 G C -1.300 173.234 174.900 -0.609 0.000 1.426 2414 G CA -0.372 44.434 45.100 -0.490 0.000 0.794 2414 G HN 1.272 nan 8.290 nan 0.000 0.483 2415 A N -0.668 122.034 122.820 -0.197 0.000 2.320 2415 A HA 0.989 5.309 4.320 0.000 0.000 0.334 2415 A C -0.799 176.976 177.584 0.318 0.000 1.147 2415 A CA -0.608 51.370 52.037 -0.098 0.000 0.820 2415 A CB 0.812 19.691 19.000 -0.201 0.000 1.218 2415 A HN 1.903 nan 8.150 nan 0.000 0.482 2416 F N -0.848 119.209 119.950 0.179 0.000 2.686 2416 F HA 0.856 5.383 4.527 0.000 0.000 0.311 2416 F C -1.381 174.479 175.800 0.100 0.000 1.128 2416 F CA -1.358 56.749 58.000 0.178 0.000 0.946 2416 F CB 1.044 40.138 39.000 0.157 0.000 1.336 2416 F HN 0.433 nan 8.300 nan 0.000 0.457 2417 I N 1.081 121.639 120.570 -0.020 0.000 2.802 2417 I HA 0.239 4.409 4.170 0.000 0.000 0.298 2417 I C -1.442 174.456 176.117 -0.364 0.000 1.176 2417 I CA -0.726 60.288 61.300 -0.478 0.000 1.025 2417 I CB 2.206 39.602 38.000 -1.006 0.000 1.243 2417 I HN 0.687 nan 8.210 nan 0.000 0.424 2418 D N 4.275 124.553 120.400 -0.203 0.000 2.558 2418 D HA 0.119 4.760 4.640 0.000 0.000 0.221 2418 D C 0.680 176.921 176.300 -0.098 0.000 1.143 2418 D CA 0.003 54.042 54.000 0.064 0.000 1.010 2418 D CB 0.111 41.008 40.800 0.161 0.000 1.068 2418 D HN 0.284 nan 8.370 nan 0.000 0.511 2419 Y N 0.655 120.830 120.300 -0.209 0.000 2.446 2419 Y HA -0.141 4.409 4.550 0.000 0.000 0.287 2419 Y C 1.387 176.989 175.900 -0.497 0.000 1.159 2419 Y CA 0.819 58.494 58.100 -0.708 0.000 1.297 2419 Y CB -0.087 37.535 38.460 -1.396 0.000 0.974 2419 Y HN 0.555 nan 8.280 nan 0.000 0.557 2420 W N -0.342 121.087 121.300 0.215 0.000 3.102 2420 W HA 0.569 5.229 4.660 0.000 0.000 0.401 2420 W C 0.608 177.206 176.519 0.132 0.000 1.070 2420 W CA -0.435 57.017 57.345 0.178 0.000 1.921 2420 W CB -0.409 29.120 29.460 0.116 0.000 1.118 2420 W HN -0.146 nan 8.180 nan 0.000 0.647 2421 A N 1.115 124.095 122.820 0.267 0.000 2.366 2421 A HA 0.030 4.350 4.320 0.000 0.000 0.249 2421 A C 0.572 178.245 177.584 0.149 0.000 1.084 2421 A CA -0.143 52.003 52.037 0.181 0.000 0.794 2421 A CB 0.078 19.152 19.000 0.124 0.000 1.034 2421 A HN 0.351 nan 8.150 nan 0.000 0.491 2422 N N 0.701 119.465 118.700 0.106 0.000 3.245 2422 N HA 0.166 4.906 4.740 0.000 0.000 0.296 2422 N C -0.583 174.956 175.510 0.048 0.000 1.254 2422 N CA 0.081 53.177 53.050 0.078 0.000 1.190 2422 N CB -0.300 38.225 38.487 0.063 0.000 1.460 2422 N HN 0.501 nan 8.380 nan 0.000 0.538 2423 K N 0.297 120.724 120.400 0.045 0.000 2.482 2423 K HA 0.169 4.489 4.320 0.000 0.000 0.257 2423 K C -0.042 176.546 176.600 -0.021 0.000 0.969 2423 K CA -0.698 55.595 56.287 0.010 0.000 0.842 2423 K CB 1.461 33.967 32.500 0.010 0.000 1.359 2423 K HN 0.101 nan 8.250 nan 0.000 0.441 2424 E N -0.349 119.822 120.200 -0.048 0.000 2.435 2424 E HA -0.007 4.343 4.350 0.000 0.000 0.195 2424 E C 0.315 176.819 176.600 -0.161 0.000 1.029 2424 E CA 0.095 56.443 56.400 -0.088 0.000 0.865 2424 E CB -0.309 29.353 29.700 -0.064 0.000 0.833 2424 E HN 0.520 nan 8.360 nan 0.000 0.510 2425 c N -1.048 117.467 118.600 -0.142 0.000 2.848 2425 c HA 0.719 5.289 4.570 0.000 0.000 0.317 2425 c C -0.522 173.505 174.090 -0.105 0.000 1.260 2425 c CA -1.497 54.722 56.329 -0.184 0.000 1.656 2425 c CB 0.391 42.844 42.510 -0.095 0.000 2.174 2425 c HN 0.008 nan 8.230 nan 0.000 0.479 2426 F N 2.356 122.294 119.950 -0.021 0.000 2.404 2426 F HA 0.391 4.918 4.527 0.000 0.000 0.358 2426 F C 0.849 176.561 175.800 -0.147 0.000 1.120 2426 F CA -0.553 57.405 58.000 -0.069 0.000 1.144 2426 F CB 0.239 39.249 39.000 0.016 0.000 1.133 2426 F HN 0.717 nan 8.300 nan 0.000 0.495 2427 N N 5.225 123.927 118.700 0.003 0.000 2.419 2427 N HA 0.259 4.999 4.740 0.000 0.000 0.264 2427 N C -2.690 172.646 175.510 -0.291 0.000 1.031 2427 N CA -1.603 51.360 53.050 -0.145 0.000 0.951 2427 N CB 1.132 39.552 38.487 -0.112 0.000 1.101 2427 N HN 0.149 nan 8.380 nan 0.000 0.488 2428 P HA 0.037 nan 4.420 nan 0.000 0.264 2428 P C -0.683 176.381 177.300 -0.394 0.000 1.193 2428 P CA -0.130 62.469 63.100 -0.835 0.000 0.763 2428 P CB 0.534 31.359 31.700 -1.458 0.000 0.810 2429 c N 3.444 121.802 118.600 -0.403 0.000 2.971 2429 c HA 0.867 5.437 4.570 0.000 0.000 0.310 2429 c C -0.480 173.367 174.090 -0.404 0.000 1.285 2429 c CA -0.311 55.695 56.329 -0.539 0.000 1.593 2429 c CB 1.019 42.741 42.510 -1.313 0.000 2.076 2429 c HN 0.687 nan 8.230 nan 0.000 0.472 2430 F N -0.240 119.385 119.950 -0.542 0.000 2.713 2430 F HA 0.779 5.306 4.527 0.000 0.000 0.311 2430 F C -1.289 174.460 175.800 -0.085 0.000 1.141 2430 F CA -1.197 56.507 58.000 -0.494 0.000 0.939 2430 F CB 0.796 39.121 39.000 -1.125 0.000 1.325 2430 F HN 0.722 nan 8.300 nan 0.000 0.453 2431 Y N -0.192 120.113 120.300 0.008 0.000 2.598 2431 Y HA 0.903 5.453 4.550 0.000 0.000 0.340 2431 Y C -1.884 174.012 175.900 -0.008 0.000 1.038 2431 Y CA -1.974 56.085 58.100 -0.068 0.000 1.100 2431 Y CB 1.614 40.076 38.460 0.004 0.000 1.281 2431 Y HN 0.581 nan 8.280 nan 0.000 0.488 2432 V N 1.703 121.671 119.914 0.089 0.000 2.577 2432 V HA 0.254 4.375 4.120 0.000 0.000 0.303 2432 V C -0.593 175.650 176.094 0.248 0.000 1.042 2432 V CA -1.001 61.310 62.300 0.018 0.000 0.872 2432 V CB 1.482 33.236 31.823 -0.115 0.000 0.998 2432 V HN 0.886 nan 8.190 nan 0.000 0.423 2433 E N 4.703 125.099 120.200 0.326 0.000 2.290 2433 E HA 0.335 4.685 4.350 0.000 0.000 0.277 2433 E C -1.092 175.638 176.600 0.218 0.000 1.035 2433 E CA -0.437 56.131 56.400 0.281 0.000 0.873 2433 E CB 0.761 30.644 29.700 0.304 0.000 1.029 2433 E HN 0.617 nan 8.360 nan 0.000 0.419 2434 L N 7.195 128.535 121.223 0.194 0.000 2.360 2434 L HA 0.365 4.705 4.340 0.000 0.000 0.265 2434 L C -0.028 176.958 176.870 0.195 0.000 1.066 2434 L CA -0.509 54.459 54.840 0.213 0.000 0.929 2434 L CB 0.279 42.464 42.059 0.209 0.000 1.306 2434 L HN 0.507 nan 8.230 nan 0.000 0.434 2435 I N 3.428 124.110 120.570 0.187 0.000 2.556 2435 I HA 0.163 4.333 4.170 0.000 0.000 0.284 2435 I C 0.319 176.507 176.117 0.119 0.000 1.114 2435 I CA 0.057 61.428 61.300 0.119 0.000 1.418 2435 I CB 0.248 38.278 38.000 0.051 0.000 1.394 2435 I HN 0.494 nan 8.210 nan 0.000 0.552 2436 R N 4.096 124.666 120.500 0.117 0.000 2.750 2436 R HA 0.772 5.112 4.340 0.000 0.000 0.281 2436 R C 0.123 176.413 176.300 -0.017 0.000 0.972 2436 R CA -0.426 55.734 56.100 0.101 0.000 0.912 2436 R CB 1.566 32.015 30.300 0.248 0.000 1.187 2436 R HN 0.921 nan 8.270 nan 0.000 0.464 2437 G N 1.803 110.390 108.800 -0.356 0.000 2.451 2437 G HA2 -0.213 3.747 3.960 0.000 0.000 0.208 2437 G HA3 -0.213 3.747 3.960 0.000 0.000 0.208 2437 G C -0.890 173.748 174.900 -0.438 0.000 1.248 2437 G CA -0.787 43.925 45.100 -0.647 0.000 0.989 2437 G HN 0.494 nan 8.290 nan 0.000 0.559 2438 R N 1.355 121.641 120.500 -0.356 0.000 2.641 2438 R HA 0.352 4.692 4.340 0.000 0.000 0.269 2438 R C -1.271 174.898 176.300 -0.217 0.000 1.074 2438 R CA -0.695 55.247 56.100 -0.264 0.000 1.133 2438 R CB 0.913 31.099 30.300 -0.191 0.000 1.029 2438 R HN 0.437 nan 8.270 nan 0.000 0.488 2439 P HA 0.015 nan 4.420 nan 0.000 0.245 2439 P C 0.226 177.357 177.300 -0.281 0.000 1.203 2439 P CA 0.613 63.589 63.100 -0.207 0.000 0.792 2439 P CB 0.438 32.052 31.700 -0.143 0.000 0.997 2440 K N 0.640 120.772 120.400 -0.446 0.000 2.288 2440 K HA 0.005 4.325 4.320 0.000 0.000 0.201 2440 K C 0.537 176.864 176.600 -0.455 0.000 1.048 2440 K CA 0.815 56.730 56.287 -0.619 0.000 0.956 2440 K CB 0.073 31.713 32.500 -1.433 0.000 0.746 2440 K HN 0.416 nan 8.250 nan 0.000 0.461 2441 E N 0.703 120.657 120.200 -0.409 0.000 2.489 2441 E HA 0.087 4.437 4.350 0.000 0.000 0.232 2441 E C -0.176 176.255 176.600 -0.282 0.000 0.990 2441 E CA -0.173 56.063 56.400 -0.273 0.000 0.768 2441 E CB 1.076 30.615 29.700 -0.268 0.000 1.270 2441 E HN 0.022 nan 8.360 nan 0.000 0.423 2442 S N -0.051 115.529 115.700 -0.200 0.000 2.634 2442 S HA -0.072 4.398 4.470 0.000 0.000 0.221 2442 S C 1.659 176.159 174.600 -0.167 0.000 0.952 2442 S CA 0.018 58.104 58.200 -0.189 0.000 0.930 2442 S CB -0.023 63.096 63.200 -0.134 0.000 0.780 2442 S HN 0.329 nan 8.310 nan 0.000 0.498 2443 S N 1.041 116.644 115.700 -0.162 0.000 2.555 2443 S HA 0.136 4.606 4.470 0.000 0.000 0.230 2443 S C 0.721 175.229 174.600 -0.154 0.000 0.978 2443 S CA 0.173 58.303 58.200 -0.118 0.000 0.934 2443 S CB -0.829 62.332 63.200 -0.064 0.000 0.766 2443 S HN 0.706 nan 8.310 nan 0.000 0.533 2444 V N -2.463 117.266 119.914 -0.309 0.000 3.103 2444 V HA 0.609 4.729 4.120 0.000 0.000 0.318 2444 V C 0.777 176.626 176.094 -0.407 0.000 1.114 2444 V CA -1.084 60.962 62.300 -0.422 0.000 1.020 2444 V CB 1.177 32.418 31.823 -0.971 0.000 1.085 2444 V HN 0.074 nan 8.190 nan 0.000 0.446 2445 L N 1.100 122.145 121.223 -0.296 0.000 2.585 2445 L HA 0.338 4.679 4.340 0.000 0.000 0.226 2445 L C 0.552 177.390 176.870 -0.054 0.000 1.113 2445 L CA 0.331 55.102 54.840 -0.114 0.000 0.876 2445 L CB -0.545 41.527 42.059 0.022 0.000 1.072 2445 L HN 0.867 nan 8.230 nan 0.000 0.468 2446 W N -1.460 119.810 121.300 -0.051 0.000 2.703 2446 W HA 0.665 5.325 4.660 0.000 0.000 0.359 2446 W C -0.938 175.529 176.519 -0.087 0.000 1.168 2446 W CA -0.804 56.506 57.345 -0.058 0.000 1.177 2446 W CB 0.594 30.016 29.460 -0.063 0.000 1.434 2446 W HN -0.305 nan 8.180 nan 0.000 0.618 2447 T N 1.416 116.214 114.554 0.407 0.000 2.928 2447 T HA 0.426 4.776 4.350 0.000 0.000 0.296 2447 T C -0.872 174.031 174.700 0.339 0.000 1.000 2447 T CA -0.189 62.077 62.100 0.277 0.000 0.989 2447 T CB 2.114 71.033 68.868 0.085 0.000 1.005 2447 T HN 0.532 nan 8.240 nan 0.000 0.442 2448 S N 2.295 118.207 115.700 0.354 0.000 2.973 2448 S HA 0.845 5.315 4.470 0.000 0.000 0.317 2448 S C -1.658 173.006 174.600 0.108 0.000 1.196 2448 S CA -0.701 57.573 58.200 0.123 0.000 0.894 2448 S CB 1.289 64.427 63.200 -0.103 0.000 1.292 2448 S HN 1.021 nan 8.310 nan 0.000 0.614 2449 N N -0.857 117.873 118.700 0.049 0.000 3.046 2449 N HA 0.560 5.301 4.740 0.000 0.000 0.243 2449 N C -1.178 174.372 175.510 0.067 0.000 1.452 2449 N CA -0.379 52.720 53.050 0.082 0.000 0.882 2449 N CB 1.312 39.849 38.487 0.084 0.000 1.425 2449 N HN 0.657 nan 8.380 nan 0.000 0.517 2450 S N -0.335 115.426 115.700 0.102 0.000 2.806 2450 S HA 0.796 5.266 4.470 0.000 0.000 0.315 2450 S C -0.751 173.922 174.600 0.122 0.000 1.127 2450 S CA -0.817 57.445 58.200 0.103 0.000 0.918 2450 S CB 0.811 64.076 63.200 0.108 0.000 1.240 2450 S HN 0.582 nan 8.310 nan 0.000 0.552 2451 I N 0.423 121.060 120.570 0.113 0.000 2.647 2451 I HA 0.651 4.821 4.170 0.000 0.000 0.295 2451 I C -1.238 174.914 176.117 0.058 0.000 1.078 2451 I CA -1.040 60.317 61.300 0.095 0.000 1.048 2451 I CB 2.191 40.225 38.000 0.056 0.000 1.239 2451 I HN 0.532 nan 8.210 nan 0.000 0.421 2452 V N 4.821 124.762 119.914 0.045 0.000 2.735 2452 V HA 0.942 5.062 4.120 0.000 0.000 0.310 2452 V C -1.048 174.974 176.094 -0.119 0.000 1.061 2452 V CA -0.178 62.088 62.300 -0.056 0.000 0.913 2452 V CB 1.882 33.686 31.823 -0.032 0.000 1.005 2452 V HN 0.868 nan 8.190 nan 0.000 0.428 2453 A N 6.043 128.722 122.820 -0.235 0.000 2.449 2453 A HA 0.967 5.287 4.320 0.000 0.000 0.302 2453 A C -1.904 175.403 177.584 -0.462 0.000 1.048 2453 A CA -0.530 51.351 52.037 -0.260 0.000 0.708 2453 A CB 1.732 20.729 19.000 -0.006 0.000 1.274 2453 A HN 0.840 nan 8.150 nan 0.000 0.410 2454 L N 0.281 121.063 121.223 -0.734 0.000 2.424 2454 L HA 0.739 5.079 4.340 0.000 0.000 0.258 2454 L C -0.487 176.073 176.870 -0.517 0.000 0.995 2454 L CA -0.185 54.251 54.840 -0.674 0.000 0.821 2454 L CB 2.016 43.693 42.059 -0.637 0.000 1.383 2454 L HN 0.808 nan 8.230 nan 0.000 0.410 2455 c N -0.261 118.061 118.600 -0.463 0.000 2.913 2455 c HA 0.855 5.425 4.570 0.000 0.000 0.322 2455 c C 0.750 174.797 174.090 -0.071 0.000 1.292 2455 c CA -0.968 55.247 56.329 -0.189 0.000 1.649 2455 c CB 1.658 44.023 42.510 -0.241 0.000 2.139 2455 c HN 0.957 nan 8.230 nan 0.000 0.475 2456 G N 0.865 109.508 108.800 -0.263 0.000 2.544 2456 G HA2 0.459 4.419 3.960 0.000 0.000 0.242 2456 G HA3 0.459 4.419 3.960 0.000 0.000 0.242 2456 G C -0.389 174.326 174.900 -0.307 0.000 1.247 2456 G CA 0.240 44.894 45.100 -0.742 0.000 0.840 2456 G HN 0.855 nan 8.290 nan 0.000 0.578 2457 S N -0.405 115.066 115.700 -0.381 0.000 2.536 2457 S HA 0.391 4.861 4.470 0.000 0.000 0.287 2457 S C 0.891 175.375 174.600 -0.193 0.000 1.101 2457 S CA -0.834 57.258 58.200 -0.180 0.000 0.950 2457 S CB 1.703 64.859 63.200 -0.072 0.000 1.056 2457 S HN 0.552 nan 8.310 nan 0.000 0.481 2458 K N 1.413 121.741 120.400 -0.120 0.000 2.296 2458 K HA 0.110 4.430 4.320 0.000 0.000 0.200 2458 K C 0.405 176.976 176.600 -0.048 0.000 1.048 2458 K CA 0.463 56.703 56.287 -0.079 0.000 0.966 2458 K CB 0.071 32.536 32.500 -0.059 0.000 0.754 2458 K HN 0.399 nan 8.250 nan 0.000 0.466 2459 K N 1.261 121.632 120.400 -0.048 0.000 2.149 2459 K HA 0.118 4.438 4.320 0.000 0.000 0.245 2459 K C 0.327 176.925 176.600 -0.004 0.000 1.024 2459 K CA -0.158 56.115 56.287 -0.023 0.000 0.899 2459 K CB 0.411 32.897 32.500 -0.024 0.000 1.038 2459 K HN -0.151 nan 8.250 nan 0.000 0.496 2460 R N 1.931 122.440 120.500 0.016 0.000 2.391 2460 R HA 0.310 4.650 4.340 0.000 0.000 0.310 2460 R C -0.078 176.250 176.300 0.047 0.000 1.174 2460 R CA -0.262 55.862 56.100 0.041 0.000 1.118 2460 R CB -0.752 29.574 30.300 0.043 0.000 1.134 2460 R HN 0.415 nan 8.270 nan 0.000 0.524 2461 L N 0.910 122.171 121.223 0.063 0.000 2.325 2461 L HA 0.482 4.822 4.340 0.000 0.000 0.279 2461 L C 1.385 178.314 176.870 0.098 0.000 1.054 2461 L CA -0.809 54.076 54.840 0.075 0.000 0.804 2461 L CB 1.327 43.444 42.059 0.096 0.000 1.200 2461 L HN 0.492 nan 8.230 nan 0.000 0.436 2462 G N 1.097 109.939 108.800 0.069 0.000 2.634 2462 G HA2 0.450 4.410 3.960 0.000 0.000 0.255 2462 G HA3 0.450 4.410 3.960 0.000 0.000 0.255 2462 G C -0.316 174.648 174.900 0.106 0.000 1.205 2462 G CA -0.063 45.076 45.100 0.065 0.000 0.884 2462 G HN 0.699 nan 8.290 nan 0.000 0.549 2463 S N -0.661 115.111 115.700 0.120 0.000 2.638 2463 S HA 0.801 5.271 4.470 0.000 0.000 0.274 2463 S C -1.299 173.427 174.600 0.209 0.000 1.157 2463 S CA -0.812 57.513 58.200 0.209 0.000 0.826 2463 S CB 2.009 65.398 63.200 0.315 0.000 1.139 2463 S HN 1.521 nan 8.310 nan 0.000 0.474 2464 W N -0.215 121.045 121.300 -0.067 0.000 3.018 2464 W HA 0.779 5.439 4.660 0.000 0.000 0.352 2464 W C -0.810 175.513 176.519 -0.327 0.000 1.230 2464 W CA -1.354 55.865 57.345 -0.209 0.000 1.162 2464 W CB 0.600 29.883 29.460 -0.295 0.000 1.483 2464 W HN 0.862 nan 8.180 nan 0.000 0.584 2465 S N 0.552 116.161 115.700 -0.151 0.000 2.505 2465 S HA 0.268 4.738 4.470 0.000 0.000 0.276 2465 S C -1.010 173.230 174.600 -0.602 0.000 1.274 2465 S CA -0.177 57.930 58.200 -0.156 0.000 1.053 2465 S CB -0.147 63.118 63.200 0.109 0.000 0.919 2465 S HN 0.371 nan 8.310 nan 0.000 0.490 2466 W N 5.872 127.090 121.300 -0.136 0.000 1.919 2466 W HA 0.277 4.937 4.660 0.000 0.000 0.347 2466 W C 0.622 177.029 176.519 -0.186 0.000 0.698 2466 W CA -0.917 56.280 57.345 -0.246 0.000 2.240 2466 W CB -0.475 28.953 29.460 -0.053 0.000 2.021 2466 W HN 0.787 nan 8.180 nan 0.000 0.527 2467 H N -2.410 116.688 119.070 0.046 0.000 2.671 2467 H HA 0.086 4.643 4.556 0.000 0.000 0.372 2467 H C 1.349 176.734 175.328 0.094 0.000 1.227 2467 H CA 0.050 56.138 56.048 0.067 0.000 1.426 2467 H CB 0.797 30.557 29.762 -0.004 0.000 1.480 2467 H HN 0.147 nan 8.280 nan 0.000 0.611 2468 D N 0.510 121.057 120.400 0.245 0.000 2.126 2468 D HA -0.168 4.472 4.640 0.000 0.000 0.190 2468 D C 1.782 178.191 176.300 0.182 0.000 1.001 2468 D CA 3.289 57.409 54.000 0.200 0.000 0.841 2468 D CB -0.516 40.417 40.800 0.221 0.000 0.949 2468 D HN 1.005 nan 8.370 nan 0.000 0.446 2469 G N -1.308 107.635 108.800 0.240 0.000 2.179 2469 G HA2 -0.085 3.875 3.960 0.000 0.000 0.220 2469 G HA3 -0.085 3.875 3.960 0.000 0.000 0.220 2469 G C 0.317 175.329 174.900 0.187 0.000 0.990 2469 G CA 0.442 45.666 45.100 0.206 0.000 0.646 2469 G HN 0.779 nan 8.290 nan 0.000 0.517 2470 A N 0.144 123.095 122.820 0.218 0.000 2.302 2470 A HA 0.685 5.005 4.320 0.000 0.000 0.285 2470 A C 0.177 177.886 177.584 0.209 0.000 1.105 2470 A CA -0.251 51.949 52.037 0.272 0.000 0.816 2470 A CB 0.551 19.786 19.000 0.392 0.000 1.067 2470 A HN 0.185 nan 8.150 nan 0.000 0.489 2471 E N 1.816 122.111 120.200 0.158 0.000 2.081 2471 E HA 0.162 4.512 4.350 0.000 0.000 0.281 2471 E C 0.472 177.145 176.600 0.122 0.000 0.986 2471 E CA -0.412 55.946 56.400 -0.069 0.000 0.796 2471 E CB 1.414 30.708 29.700 -0.677 0.000 1.085 2471 E HN 0.597 nan 8.360 nan 0.000 0.398 2472 I N 3.720 124.379 120.570 0.148 0.000 2.361 2472 I HA -0.256 3.914 4.170 0.000 0.000 0.251 2472 I C 1.604 177.865 176.117 0.239 0.000 1.133 2472 I CA 0.910 62.355 61.300 0.242 0.000 1.413 2472 I CB 0.079 38.136 38.000 0.095 0.000 1.073 2472 I HN 0.500 nan 8.210 nan 0.000 0.424 2473 I N -0.274 120.337 120.570 0.070 0.000 2.361 2473 I HA -0.327 3.843 4.170 0.000 0.000 0.251 2473 I C 2.314 178.547 176.117 0.193 0.000 1.133 2473 I CA 1.604 62.948 61.300 0.072 0.000 1.413 2473 I CB -1.662 36.323 38.000 -0.026 0.000 1.073 2473 I HN 0.346 nan 8.210 nan 0.000 0.424 2474 Y N -0.899 119.466 120.300 0.107 0.000 2.403 2474 Y HA -0.217 4.333 4.550 0.000 0.000 0.291 2474 Y C 2.174 178.016 175.900 -0.097 0.000 1.143 2474 Y CA 0.431 58.511 58.100 -0.034 0.000 1.257 2474 Y CB -0.247 38.128 38.460 -0.142 0.000 0.984 2474 Y HN 0.032 nan 8.280 nan 0.000 0.550 2475 F N -0.138 119.981 119.950 0.280 0.000 2.749 2475 F HA 0.070 4.597 4.527 0.000 0.000 0.300 2475 F C 0.978 176.888 175.800 0.183 0.000 1.103 2475 F CA -0.083 58.078 58.000 0.269 0.000 1.342 2475 F CB 0.110 39.351 39.000 0.402 0.000 1.098 2475 F HN -0.042 nan 8.300 nan 0.000 0.586 2476 E N 0.000 120.364 120.200 0.273 0.000 2.725 2476 E HA 0.000 4.350 4.350 0.000 0.000 0.291 2476 E CA 0.000 56.499 56.400 0.164 0.000 0.976 2476 E CB 0.000 29.767 29.700 0.112 0.000 0.812 2476 E HN 0.000 nan 8.360 nan 0.000 0.440