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 1t77_1_D DATA FIRST_RESID 2076 DATA SEQUENCE GPVSLSTPAQ LVAPSVVVKG TLSVTSSELY FEVDEEDPNF KKIDPKILAY DATA SEQUENCE TEGLHGKWLF TEIRSIFSRR YLLQNTALEI FMANRVAVMF NFPDPATVKK DATA SEQUENCE VVNFLPRVGV GTSFGLPQTR RISLASPRQL FKASNMTQRW QHREISNFEY DATA SEQUENCE LMFLNTIAGR SYNDLNQYPV FPWVITNYES EELDLTLPTN FRDLSKPIGA DATA SEQUENCE LNPKRAAFFA ERYESWEDDQ VPKFHYGTHY STASFVLAWL LRIEPFTTYF DATA SEQUENCE LNLQGGKFDH ADRTFSSISR AWRNSQRDTS DIKELIPEFY YLPEMFVNFN DATA SEQUENCE NYNLGVMDDG TVVSDVELPP WAKTSEEFVH INRLALESEF VSCQLHQWID DATA SEQUENCE LIFGYKQQGP EAVRALNVFY YLTYEGAVNL NSITDPVLRE AVEAQIRSFG DATA SEQUENCE QTPSQLLIEP HPPR 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 2076 G HA2 0.000 nan 3.960 nan 0.000 0.244 2076 G HA3 0.000 3.972 3.960 0.020 0.000 0.244 2076 G C 0.000 174.922 174.900 0.036 0.000 0.946 2076 G CA 0.000 45.129 45.100 0.048 0.000 0.502 2077 P HA 0.374 nan 4.420 nan 0.000 0.266 2077 P C 0.105 177.383 177.300 -0.037 0.000 1.215 2077 P CA -0.278 62.815 63.100 -0.011 0.000 0.763 2077 P CB 1.046 32.738 31.700 -0.014 0.000 0.806 2078 V N 1.027 120.918 119.914 -0.037 0.000 2.432 2078 V HA 0.325 4.457 4.120 0.020 0.000 0.275 2078 V C 1.070 177.091 176.094 -0.120 0.000 1.043 2078 V CA 0.081 62.331 62.300 -0.083 0.000 0.925 2078 V CB 1.213 33.006 31.823 -0.050 0.000 0.985 2078 V HN 0.581 nan 8.190 nan 0.000 0.466 2079 S N 4.260 119.845 115.700 -0.191 0.000 2.503 2079 S HA 0.337 4.819 4.470 0.020 0.000 0.217 2079 S C 0.240 174.521 174.600 -0.531 0.000 0.999 2079 S CA 0.102 58.127 58.200 -0.293 0.000 0.914 2079 S CB -0.062 62.981 63.200 -0.260 0.000 0.782 2079 S HN 0.811 nan 8.310 nan 0.000 0.520 2080 L N 0.862 121.814 121.223 -0.451 0.000 2.472 2080 L HA 0.671 5.024 4.340 0.020 0.000 0.260 2080 L C -1.653 175.104 176.870 -0.189 0.000 0.963 2080 L CA -0.348 54.248 54.840 -0.407 0.000 0.829 2080 L CB 2.172 43.886 42.059 -0.576 0.000 1.348 2080 L HN 0.167 nan 8.230 nan 0.000 0.408 2081 S N 2.279 117.912 115.700 -0.112 0.000 2.614 2081 S HA 0.745 5.227 4.470 0.020 0.000 0.275 2081 S C -1.152 173.449 174.600 0.001 0.000 1.161 2081 S CA -0.170 58.008 58.200 -0.036 0.000 0.969 2081 S CB 1.893 65.078 63.200 -0.025 0.000 1.059 2081 S HN 0.836 nan 8.310 nan 0.000 0.482 2082 T N 3.837 118.420 114.554 0.049 0.000 2.853 2082 T HA 0.721 5.084 4.350 0.020 0.000 0.311 2082 T C -3.217 171.555 174.700 0.120 0.000 1.307 2082 T CA -1.382 60.772 62.100 0.089 0.000 1.019 2082 T CB 1.692 70.637 68.868 0.130 0.000 1.264 2082 T HN 0.423 nan 8.240 nan 0.000 0.497 2083 P HA 0.618 nan 4.420 nan 0.000 0.275 2083 P C -1.445 175.931 177.300 0.126 0.000 1.227 2083 P CA -0.167 62.992 63.100 0.098 0.000 0.781 2083 P CB 0.999 32.744 31.700 0.074 0.000 0.906 2084 A N 2.424 125.309 122.820 0.108 0.000 2.610 2084 A HA 0.553 4.885 4.320 0.020 0.000 0.291 2084 A C -1.635 175.952 177.584 0.005 0.000 1.086 2084 A CA -0.597 51.399 52.037 -0.068 0.000 0.677 2084 A CB 1.227 20.053 19.000 -0.289 0.000 1.278 2084 A HN 0.473 nan 8.150 nan 0.000 0.414 2085 Q N -0.057 119.602 119.800 -0.236 0.000 2.342 2085 Q HA 0.559 4.912 4.340 0.020 0.000 0.267 2085 Q C -1.240 174.542 176.000 -0.364 0.000 1.038 2085 Q CA -0.878 54.809 55.803 -0.192 0.000 0.832 2085 Q CB 2.649 31.234 28.738 -0.256 0.000 1.323 2085 Q HN 0.627 nan 8.270 nan 0.000 0.448 2086 L N 2.996 124.016 121.223 -0.340 0.000 2.261 2086 L HA 0.322 4.675 4.340 0.020 0.000 0.289 2086 L C -1.268 175.408 176.870 -0.323 0.000 1.059 2086 L CA -0.245 54.331 54.840 -0.441 0.000 0.816 2086 L CB 1.012 42.902 42.059 -0.281 0.000 1.191 2086 L HN 0.390 nan 8.230 nan 0.000 0.431 2087 V N 6.125 125.791 119.914 -0.414 0.000 2.333 2087 V HA 0.809 4.941 4.120 0.020 0.000 0.274 2087 V C 0.520 176.476 176.094 -0.229 0.000 1.028 2087 V CA -0.018 62.100 62.300 -0.304 0.000 0.851 2087 V CB 0.312 31.934 31.823 -0.335 0.000 1.000 2087 V HN 0.982 nan 8.190 nan 0.000 0.456 2088 A N 6.315 129.051 122.820 -0.139 0.000 2.386 2088 A HA 0.894 5.226 4.320 0.020 0.000 0.308 2088 A C -2.120 175.421 177.584 -0.071 0.000 1.128 2088 A CA -1.824 50.161 52.037 -0.088 0.000 0.789 2088 A CB 1.628 20.600 19.000 -0.046 0.000 1.325 2088 A HN 0.544 nan 8.150 nan 0.000 0.437 2089 P HA -0.165 nan 4.420 nan 0.000 0.215 2089 P C 1.516 178.561 177.300 -0.426 0.000 1.157 2089 P CA 2.345 65.415 63.100 -0.051 0.000 0.874 2089 P CB 0.100 31.898 31.700 0.163 0.000 0.790 2090 S N -0.651 114.728 115.700 -0.535 0.000 2.436 2090 S HA -0.046 4.437 4.470 0.020 0.000 0.215 2090 S C 1.225 175.612 174.600 -0.356 0.000 1.047 2090 S CA 1.614 59.383 58.200 -0.718 0.000 1.086 2090 S CB -1.434 61.652 63.200 -0.191 0.000 1.072 2090 S HN 0.074 nan 8.310 nan 0.000 0.411 2091 V N -2.429 117.392 119.914 -0.156 0.000 3.105 2091 V HA 0.818 4.950 4.120 0.020 0.000 0.311 2091 V C -1.046 175.023 176.094 -0.043 0.000 1.287 2091 V CA -1.135 61.119 62.300 -0.076 0.000 1.066 2091 V CB 1.871 33.681 31.823 -0.021 0.000 1.105 2091 V HN 0.191 nan 8.190 nan 0.000 0.462 2092 V N 0.890 120.796 119.914 -0.012 0.000 2.357 2092 V HA 0.593 4.725 4.120 0.020 0.000 0.281 2092 V C -0.522 175.586 176.094 0.024 0.000 1.015 2092 V CA -0.264 62.015 62.300 -0.035 0.000 0.827 2092 V CB 1.209 33.011 31.823 -0.034 0.000 1.018 2092 V HN 0.700 nan 8.190 nan 0.000 0.432 2093 V N 4.787 124.737 119.914 0.059 0.000 2.628 2093 V HA 0.473 4.606 4.120 0.020 0.000 0.306 2093 V C 0.142 176.326 176.094 0.150 0.000 1.045 2093 V CA -1.164 61.216 62.300 0.134 0.000 0.905 2093 V CB 2.270 34.229 31.823 0.227 0.000 0.997 2093 V HN 0.780 nan 8.190 nan 0.000 0.436 2094 K N 1.948 122.410 120.400 0.104 0.000 2.258 2094 K HA 0.686 5.019 4.320 0.020 0.000 0.264 2094 K C 0.457 177.100 176.600 0.072 0.000 1.007 2094 K CA 0.503 56.853 56.287 0.106 0.000 0.941 2094 K CB 1.047 33.572 32.500 0.042 0.000 0.966 2094 K HN 1.015 nan 8.250 nan 0.000 0.480 2095 G N -0.202 108.649 108.800 0.085 0.000 2.348 2095 G HA2 0.266 4.239 3.960 0.020 0.000 0.296 2095 G HA3 0.266 4.239 3.960 0.020 0.000 0.296 2095 G C -1.467 173.337 174.900 -0.160 0.000 1.258 2095 G CA -0.653 44.286 45.100 -0.267 0.000 0.868 2095 G HN 0.408 nan 8.290 nan 0.000 0.488 2096 T N 0.552 114.893 114.554 -0.356 0.000 2.841 2096 T HA 0.566 4.928 4.350 0.020 0.000 0.285 2096 T C -0.828 173.867 174.700 -0.008 0.000 0.991 2096 T CA -0.226 61.823 62.100 -0.085 0.000 0.966 2096 T CB 1.587 70.415 68.868 -0.066 0.000 0.962 2096 T HN 0.605 nan 8.240 nan 0.000 0.438 2097 L N 3.010 124.336 121.223 0.171 0.000 2.325 2097 L HA 0.753 5.106 4.340 0.020 0.000 0.279 2097 L C -0.358 176.574 176.870 0.103 0.000 1.054 2097 L CA 0.298 55.250 54.840 0.186 0.000 0.804 2097 L CB 1.307 43.384 42.059 0.031 0.000 1.200 2097 L HN 0.575 nan 8.230 nan 0.000 0.436 2098 S N 2.879 118.633 115.700 0.091 0.000 2.547 2098 S HA 0.702 5.184 4.470 0.020 0.000 0.281 2098 S C -1.266 173.219 174.600 -0.191 0.000 1.118 2098 S CA -0.579 57.600 58.200 -0.035 0.000 0.947 2098 S CB 2.032 65.268 63.200 0.061 0.000 1.053 2098 S HN 0.374 nan 8.310 nan 0.000 0.482 2099 V N 3.355 123.167 119.914 -0.171 0.000 2.376 2099 V HA 0.470 4.602 4.120 0.020 0.000 0.287 2099 V C 0.810 176.792 176.094 -0.185 0.000 1.015 2099 V CA -0.690 61.542 62.300 -0.114 0.000 0.834 2099 V CB 1.115 32.968 31.823 0.049 0.000 1.001 2099 V HN 1.062 nan 8.190 nan 0.000 0.428 2100 T N 1.785 116.169 114.554 -0.283 0.000 2.994 2100 T HA 0.202 4.564 4.350 0.020 0.000 0.322 2100 T C 1.072 175.625 174.700 -0.245 0.000 1.199 2100 T CA 0.232 62.178 62.100 -0.257 0.000 0.945 2100 T CB 0.649 69.351 68.868 -0.278 0.000 1.754 2100 T HN 0.468 nan 8.240 nan 0.000 0.571 2101 S N 0.002 115.559 115.700 -0.238 0.000 2.556 2101 S HA 0.179 4.661 4.470 0.020 0.000 0.216 2101 S C 1.565 175.924 174.600 -0.403 0.000 0.970 2101 S CA 0.065 58.167 58.200 -0.163 0.000 0.912 2101 S CB -0.026 63.149 63.200 -0.042 0.000 0.790 2101 S HN 0.826 nan 8.310 nan 0.000 0.504 2102 S N 0.704 115.993 115.700 -0.685 0.000 2.679 2102 S HA 0.265 4.747 4.470 0.020 0.000 0.258 2102 S C 0.126 174.140 174.600 -0.977 0.000 1.068 2102 S CA -0.511 57.279 58.200 -0.683 0.000 1.115 2102 S CB 0.387 63.434 63.200 -0.256 0.000 1.078 2102 S HN 0.583 nan 8.310 nan 0.000 0.603 2103 E N 0.802 120.301 120.200 -1.168 0.000 2.388 2103 E HA 0.530 4.893 4.350 0.020 0.000 0.269 2103 E C -1.759 174.728 176.600 -0.188 0.000 1.172 2103 E CA -1.148 54.978 56.400 -0.456 0.000 0.887 2103 E CB 0.718 30.378 29.700 -0.067 0.000 1.544 2103 E HN 0.356 nan 8.360 nan 0.000 0.451 2104 L N -1.051 120.278 121.223 0.176 0.000 2.415 2104 L HA 0.873 5.225 4.340 0.020 0.000 0.256 2104 L C -1.648 175.424 176.870 0.337 0.000 1.010 2104 L CA -0.882 54.024 54.840 0.110 0.000 0.826 2104 L CB 2.057 44.312 42.059 0.327 0.000 1.405 2104 L HN 0.713 nan 8.230 nan 0.000 0.410 2105 Y N 0.131 120.676 120.300 0.408 0.000 2.638 2105 Y HA 0.777 5.338 4.550 0.018 0.000 0.335 2105 Y C -1.851 174.326 175.900 0.462 0.000 1.155 2105 Y CA -2.133 56.221 58.100 0.423 0.000 1.046 2105 Y CB 0.850 39.380 38.460 0.117 0.000 1.303 2105 Y HN 0.688 nan 8.280 nan 0.000 0.460 2106 F N 1.471 121.773 119.950 0.587 0.000 2.532 2106 F HA 0.729 5.256 4.527 0.000 0.000 0.321 2106 F C -1.023 174.883 175.800 0.177 0.000 1.089 2106 F CA -0.859 57.350 58.000 0.349 0.000 0.926 2106 F CB 1.872 41.167 39.000 0.492 0.000 1.168 2106 F HN 0.556 nan 8.300 nan 0.000 0.459 2107 E N 4.836 124.641 120.200 -0.659 0.000 2.220 2107 E HA 0.306 4.668 4.350 0.020 0.000 0.256 2107 E C -0.962 175.124 176.600 -0.857 0.000 0.881 2107 E CA -0.571 55.518 56.400 -0.518 0.000 0.766 2107 E CB 1.913 31.456 29.700 -0.260 0.000 1.187 2107 E HN 0.533 nan 8.360 nan 0.000 0.419 2108 V N 0.169 119.648 119.914 -0.724 0.000 2.740 2108 V HA 0.150 4.282 4.120 0.020 0.000 0.303 2108 V C 0.598 176.364 176.094 -0.546 0.000 1.054 2108 V CA -0.528 61.386 62.300 -0.642 0.000 1.106 2108 V CB 0.992 32.443 31.823 -0.619 0.000 0.957 2108 V HN 0.509 nan 8.190 nan 0.000 0.486 2109 D N 3.225 123.335 120.400 -0.484 0.000 2.402 2109 D HA 0.102 4.755 4.640 0.020 0.000 0.235 2109 D C 0.902 176.915 176.300 -0.478 0.000 1.226 2109 D CA -0.024 53.769 54.000 -0.346 0.000 0.918 2109 D CB 0.883 41.562 40.800 -0.202 0.000 1.043 2109 D HN 0.798 nan 8.370 nan 0.000 0.506 2110 E N 2.059 122.021 120.200 -0.397 0.000 2.511 2110 E HA -0.076 4.286 4.350 0.020 0.000 0.196 2110 E C 0.740 177.388 176.600 0.079 0.000 1.066 2110 E CA 0.326 56.594 56.400 -0.220 0.000 0.871 2110 E CB 0.528 30.251 29.700 0.038 0.000 0.863 2110 E HN 0.461 nan 8.360 nan 0.000 0.520 2111 E N 0.972 121.167 120.200 -0.007 0.000 2.479 2111 E HA -0.016 4.347 4.350 0.020 0.000 0.193 2111 E C 0.028 176.658 176.600 0.050 0.000 1.049 2111 E CA 0.122 56.543 56.400 0.034 0.000 0.870 2111 E CB 0.190 29.890 29.700 0.000 0.000 0.944 2111 E HN 0.177 nan 8.360 nan 0.000 0.492 2112 D N 1.359 121.793 120.400 0.057 0.000 2.304 2112 D HA 0.033 4.685 4.640 0.020 0.000 0.250 2112 D C -1.483 174.900 176.300 0.138 0.000 1.107 2112 D CA -1.948 52.098 54.000 0.077 0.000 0.885 2112 D CB 2.058 42.891 40.800 0.055 0.000 1.192 2112 D HN -0.138 nan 8.370 nan 0.000 0.436 2113 P HA -0.194 nan 4.420 nan 0.000 0.214 2113 P C 0.867 178.220 177.300 0.088 0.000 1.163 2113 P CA 1.160 64.307 63.100 0.080 0.000 0.889 2113 P CB 0.300 32.030 31.700 0.051 0.000 0.790 2114 N N -0.796 117.960 118.700 0.094 0.000 2.272 2114 N HA -0.170 4.583 4.740 0.020 0.000 0.185 2114 N C 1.649 177.230 175.510 0.119 0.000 1.014 2114 N CA 0.865 53.967 53.050 0.086 0.000 0.870 2114 N CB -0.926 37.612 38.487 0.086 0.000 0.975 2114 N HN 0.221 nan 8.380 nan 0.000 0.433 2115 F N 2.032 121.989 119.950 0.011 0.000 2.293 2115 F HA 0.036 4.555 4.527 -0.012 0.000 0.297 2115 F C 1.905 177.712 175.800 0.011 0.000 1.089 2115 F CA 0.895 58.902 58.000 0.012 0.000 1.377 2115 F CB 0.122 39.130 39.000 0.014 0.000 1.051 2115 F HN -0.130 nan 8.300 nan 0.000 0.511 2116 K N 0.273 120.674 120.400 0.002 0.000 2.148 2116 K HA -0.122 4.210 4.320 0.020 0.000 0.204 2116 K C 1.966 178.493 176.600 -0.121 0.000 1.050 2116 K CA 1.380 57.621 56.287 -0.077 0.000 0.942 2116 K CB -0.134 32.377 32.500 0.019 0.000 0.724 2116 K HN 0.231 nan 8.250 nan 0.000 0.446 2117 K N 0.702 121.056 120.400 -0.078 0.000 2.025 2117 K HA -0.035 4.297 4.320 0.020 0.000 0.207 2117 K C 0.830 177.367 176.600 -0.105 0.000 1.049 2117 K CA 0.458 56.703 56.287 -0.070 0.000 0.933 2117 K CB -0.193 32.286 32.500 -0.034 0.000 0.714 2117 K HN 0.009 nan 8.250 nan 0.000 0.438 2118 I N 2.987 123.475 120.570 -0.137 0.000 3.087 2118 I HA -0.184 3.998 4.170 0.020 0.000 0.318 2118 I C 0.673 176.699 176.117 -0.152 0.000 1.209 2118 I CA 0.547 61.760 61.300 -0.144 0.000 1.460 2118 I CB -0.381 37.504 38.000 -0.192 0.000 1.306 2118 I HN 0.280 nan 8.210 nan 0.000 0.560 2119 D N 8.556 128.900 120.400 -0.093 0.000 2.255 2119 D HA 0.162 4.815 4.640 0.020 0.000 0.249 2119 D C -1.547 174.715 176.300 -0.063 0.000 1.078 2119 D CA -1.678 52.279 54.000 -0.071 0.000 0.896 2119 D CB 2.137 42.914 40.800 -0.037 0.000 1.194 2119 D HN 0.260 nan 8.370 nan 0.000 0.429 2120 P HA -0.160 nan 4.420 nan 0.000 0.220 2120 P C 1.123 178.413 177.300 -0.016 0.000 1.148 2120 P CA 1.172 64.242 63.100 -0.050 0.000 0.803 2120 P CB 0.115 31.784 31.700 -0.052 0.000 0.782 2121 K N -0.194 120.208 120.400 0.003 0.000 2.209 2121 K HA -0.071 4.261 4.320 0.020 0.000 0.204 2121 K C 2.095 178.777 176.600 0.137 0.000 1.048 2121 K CA 1.179 57.489 56.287 0.039 0.000 0.940 2121 K CB -0.693 31.838 32.500 0.052 0.000 0.729 2121 K HN 0.154 nan 8.250 nan 0.000 0.451 2122 I N 1.034 121.690 120.570 0.143 0.000 2.429 2122 I HA -0.117 4.066 4.170 0.020 0.000 0.247 2122 I C 2.074 178.307 176.117 0.193 0.000 1.099 2122 I CA 0.454 61.901 61.300 0.245 0.000 1.422 2122 I CB 0.023 38.119 38.000 0.160 0.000 1.112 2122 I HN 0.094 nan 8.210 nan 0.000 0.430 2123 L N 0.739 122.012 121.223 0.083 0.000 2.349 2123 L HA -0.185 4.167 4.340 0.020 0.000 0.220 2123 L C 2.612 179.527 176.870 0.074 0.000 1.130 2123 L CA 0.852 55.736 54.840 0.073 0.000 0.791 2123 L CB -0.654 41.411 42.059 0.010 0.000 0.918 2123 L HN 0.252 nan 8.230 nan 0.000 0.444 2124 A N -0.882 121.955 122.820 0.028 0.000 1.930 2124 A HA -0.151 4.181 4.320 0.020 0.000 0.215 2124 A C 1.859 179.388 177.584 -0.092 0.000 1.176 2124 A CA 0.955 52.947 52.037 -0.075 0.000 0.632 2124 A CB -0.535 18.344 19.000 -0.202 0.000 0.819 2124 A HN 0.399 nan 8.150 nan 0.000 0.445 2125 Y N 0.849 121.195 120.300 0.077 0.000 2.546 2125 Y HA 0.030 4.583 4.550 0.006 0.000 0.287 2125 Y C 0.674 176.637 175.900 0.106 0.000 1.158 2125 Y CA 0.502 58.652 58.100 0.083 0.000 1.307 2125 Y CB -0.048 38.469 38.460 0.096 0.000 1.036 2125 Y HN 0.089 nan 8.280 nan 0.000 0.532 2126 T N 2.054 116.742 114.554 0.224 0.000 2.869 2126 T HA 0.130 4.492 4.350 0.020 0.000 0.295 2126 T C -0.117 174.672 174.700 0.147 0.000 0.987 2126 T CA -0.482 61.720 62.100 0.170 0.000 1.109 2126 T CB 0.790 69.744 68.868 0.143 0.000 0.932 2126 T HN 0.001 nan 8.240 nan 0.000 0.518 2127 E N 1.142 121.430 120.200 0.147 0.000 2.199 2127 E HA 0.521 4.883 4.350 0.020 0.000 0.269 2127 E C 0.876 177.610 176.600 0.225 0.000 0.899 2127 E CA -0.493 56.005 56.400 0.164 0.000 0.772 2127 E CB 1.715 31.514 29.700 0.164 0.000 1.155 2127 E HN 0.934 nan 8.360 nan 0.000 0.408 2128 G N 2.044 110.998 108.800 0.258 0.000 2.179 2128 G HA2 -0.260 3.712 3.960 0.020 0.000 0.220 2128 G HA3 -0.260 3.712 3.960 0.020 0.000 0.220 2128 G C 0.893 176.022 174.900 0.382 0.000 0.990 2128 G CA 0.182 45.541 45.100 0.431 0.000 0.646 2128 G HN 0.488 nan 8.290 nan 0.000 0.517 2129 L N -0.047 121.281 121.223 0.175 0.000 2.131 2129 L HA 0.080 4.433 4.340 0.020 0.000 0.210 2129 L C 1.384 177.996 176.870 -0.429 0.000 1.092 2129 L CA 1.186 55.997 54.840 -0.049 0.000 0.759 2129 L CB -0.147 41.843 42.059 -0.115 0.000 0.903 2129 L HN 0.385 nan 8.230 nan 0.000 0.435 2130 H N -1.096 118.036 119.070 0.103 0.000 2.825 2130 H HA 0.297 4.871 4.556 0.030 0.000 0.226 2130 H C 0.329 175.606 175.328 -0.086 0.000 1.414 2130 H CA -0.175 55.864 56.048 -0.015 0.000 1.198 2130 H CB 0.232 29.961 29.762 -0.056 0.000 2.013 2130 H HN 0.097 nan 8.280 nan 0.000 0.530 2131 G N 0.537 109.305 108.800 -0.053 0.000 2.537 2131 G HA2 0.394 4.366 3.960 0.020 0.000 0.273 2131 G HA3 0.394 4.366 3.960 0.020 0.000 0.273 2131 G C -0.394 174.036 174.900 -0.783 0.000 1.189 2131 G CA -0.445 44.320 45.100 -0.558 0.000 0.881 2131 G HN 0.177 nan 8.290 nan 0.000 0.535 2132 K N 0.009 119.821 120.400 -0.979 0.000 2.468 2132 K HA 0.387 4.719 4.320 0.020 0.000 0.252 2132 K C -1.724 174.479 176.600 -0.662 0.000 0.932 2132 K CA -0.867 55.132 56.287 -0.480 0.000 0.794 2132 K CB 1.800 34.204 32.500 -0.159 0.000 1.241 2132 K HN 0.549 nan 8.250 nan 0.000 0.428 2133 W N 5.771 127.212 121.300 0.234 0.000 2.647 2133 W HA 0.306 4.972 4.660 0.010 0.000 0.328 2133 W C -1.082 175.570 176.519 0.221 0.000 1.018 2133 W CA -0.972 56.503 57.345 0.216 0.000 1.245 2133 W CB 1.164 30.770 29.460 0.244 0.000 1.356 2133 W HN 0.331 nan 8.180 nan 0.000 0.443 2134 L N 3.401 124.830 121.223 0.344 0.000 2.319 2134 L HA 0.183 4.535 4.340 0.020 0.000 0.280 2134 L C 1.424 178.541 176.870 0.411 0.000 1.099 2134 L CA -0.174 54.838 54.840 0.286 0.000 0.828 2134 L CB -0.049 42.119 42.059 0.181 0.000 1.150 2134 L HN 0.262 nan 8.230 nan 0.000 0.442 2135 F N 1.261 121.294 119.950 0.139 0.000 2.063 2135 F HA -0.303 4.235 4.527 0.018 0.000 0.298 2135 F C 2.694 178.558 175.800 0.106 0.000 1.105 2135 F CA 1.926 59.997 58.000 0.118 0.000 1.215 2135 F CB -1.399 37.655 39.000 0.090 0.000 0.972 2135 F HN 0.732 nan 8.300 nan 0.000 0.483 2136 T N -2.582 112.155 114.554 0.304 0.000 2.969 2136 T HA -0.199 4.164 4.350 0.020 0.000 0.271 2136 T C 1.432 176.228 174.700 0.160 0.000 1.127 2136 T CA 1.687 63.900 62.100 0.188 0.000 1.102 2136 T CB -0.262 68.693 68.868 0.145 0.000 0.855 2136 T HN 0.140 nan 8.240 nan 0.000 0.536 2137 E N -0.139 120.177 120.200 0.193 0.000 2.489 2137 E HA 0.409 4.771 4.350 0.020 0.000 0.204 2137 E C 0.183 176.888 176.600 0.175 0.000 1.006 2137 E CA -0.203 56.303 56.400 0.177 0.000 0.936 2137 E CB 0.240 30.060 29.700 0.200 0.000 1.002 2137 E HN 0.639 nan 8.360 nan 0.000 0.488 2138 I N 1.830 122.499 120.570 0.164 0.000 2.436 2138 I HA 0.093 4.275 4.170 0.020 0.000 0.289 2138 I C 1.236 177.409 176.117 0.092 0.000 1.083 2138 I CA -0.026 61.351 61.300 0.128 0.000 1.372 2138 I CB 0.783 38.824 38.000 0.068 0.000 1.408 2138 I HN -0.089 nan 8.210 nan 0.000 0.516 2139 R N 3.551 124.122 120.500 0.118 0.000 2.282 2139 R HA 0.178 4.530 4.340 0.020 0.000 0.195 2139 R C 0.034 176.367 176.300 0.055 0.000 0.909 2139 R CA 0.245 56.392 56.100 0.079 0.000 1.039 2139 R CB 0.370 30.724 30.300 0.089 0.000 1.015 2139 R HN 0.745 nan 8.270 nan 0.000 0.513 2140 S N -0.269 115.508 115.700 0.128 0.000 2.537 2140 S HA 0.579 5.061 4.470 0.020 0.000 0.271 2140 S C -0.722 174.011 174.600 0.221 0.000 1.148 2140 S CA -0.880 57.372 58.200 0.087 0.000 0.868 2140 S CB 1.776 65.027 63.200 0.085 0.000 1.115 2140 S HN 0.048 nan 8.310 nan 0.000 0.461 2141 I N 2.438 123.030 120.570 0.036 0.000 2.497 2141 I HA 0.468 4.651 4.170 0.020 0.000 0.284 2141 I C -1.595 174.549 176.117 0.045 0.000 1.060 2141 I CA -0.402 60.983 61.300 0.142 0.000 1.071 2141 I CB 1.260 39.284 38.000 0.040 0.000 1.216 2141 I HN 0.559 nan 8.210 nan 0.000 0.442 2142 F N 3.555 123.591 119.950 0.144 0.000 2.443 2142 F HA 0.447 4.987 4.527 0.022 0.000 0.335 2142 F C 0.879 176.743 175.800 0.107 0.000 1.104 2142 F CA -0.779 57.293 58.000 0.121 0.000 1.013 2142 F CB 1.866 40.958 39.000 0.152 0.000 1.136 2142 F HN 0.300 nan 8.300 nan 0.000 0.470 2143 S N 3.565 119.414 115.700 0.250 0.000 2.576 2143 S HA 0.581 5.063 4.470 0.020 0.000 0.276 2143 S C -0.145 174.573 174.600 0.197 0.000 1.339 2143 S CA -0.401 57.906 58.200 0.178 0.000 1.039 2143 S CB 0.322 63.592 63.200 0.116 0.000 0.902 2143 S HN 0.638 nan 8.310 nan 0.000 0.516 2144 R N 1.875 122.474 120.500 0.166 0.000 2.764 2144 R HA 0.439 4.791 4.340 0.020 0.000 0.270 2144 R C -1.147 175.229 176.300 0.126 0.000 1.014 2144 R CA -0.859 55.323 56.100 0.136 0.000 0.904 2144 R CB 1.623 31.997 30.300 0.124 0.000 1.236 2144 R HN 0.667 nan 8.270 nan 0.000 0.466 2145 R N 0.319 120.879 120.500 0.101 0.000 2.732 2145 R HA 0.445 4.797 4.340 0.020 0.000 0.278 2145 R C -1.308 175.071 176.300 0.132 0.000 0.976 2145 R CA -0.662 55.496 56.100 0.097 0.000 0.963 2145 R CB 1.411 31.737 30.300 0.044 0.000 1.150 2145 R HN 0.521 nan 8.270 nan 0.000 0.478 2146 Y N 2.617 122.916 120.300 -0.003 0.000 2.354 2146 Y HA 0.277 4.834 4.550 0.012 0.000 0.330 2146 Y C -0.425 175.458 175.900 -0.028 0.000 1.011 2146 Y CA -0.993 57.093 58.100 -0.025 0.000 1.099 2146 Y CB 0.798 39.244 38.460 -0.024 0.000 1.179 2146 Y HN 0.609 nan 8.280 nan 0.000 0.442 2147 L N 7.990 128.833 121.223 -0.633 0.000 3.717 2147 L HA -0.350 4.002 4.340 0.020 0.000 0.414 2147 L C 0.344 177.080 176.870 -0.223 0.000 1.228 2147 L CA 0.813 55.367 54.840 -0.478 0.000 0.918 2147 L CB -1.461 40.280 42.059 -0.531 0.000 1.865 2147 L HN 0.922 nan 8.230 nan 0.000 0.922 2148 L N -2.876 118.250 121.223 -0.162 0.000 4.429 2148 L HA -0.267 4.086 4.340 0.020 0.000 0.422 2148 L C 0.766 177.620 176.870 -0.027 0.000 1.149 2148 L CA 0.891 55.680 54.840 -0.085 0.000 0.972 2148 L CB -1.110 40.892 42.059 -0.095 0.000 2.059 2148 L HN 0.549 nan 8.230 nan 0.000 0.870 2149 Q N 0.399 120.198 119.800 -0.001 0.000 2.256 2149 Q HA 0.310 4.662 4.340 0.020 0.000 0.257 2149 Q C 0.296 176.343 176.000 0.079 0.000 0.936 2149 Q CA -0.377 55.455 55.803 0.047 0.000 0.903 2149 Q CB 1.508 30.291 28.738 0.075 0.000 1.263 2149 Q HN 0.051 nan 8.270 nan 0.000 0.440 2150 N N 1.389 120.135 118.700 0.077 0.000 3.245 2150 N HA 0.022 4.774 4.740 0.020 0.000 0.296 2150 N C -0.248 175.331 175.510 0.114 0.000 1.254 2150 N CA 0.059 53.162 53.050 0.089 0.000 1.190 2150 N CB 0.004 38.533 38.487 0.069 0.000 1.460 2150 N HN 0.584 nan 8.380 nan 0.000 0.538 2151 T N -2.592 112.055 114.554 0.154 0.000 3.275 2151 T HA 0.584 4.946 4.350 0.020 0.000 0.298 2151 T C 0.312 175.193 174.700 0.301 0.000 0.988 2151 T CA -0.427 61.796 62.100 0.204 0.000 0.936 2151 T CB 0.139 69.125 68.868 0.197 0.000 1.159 2151 T HN 0.166 nan 8.240 nan 0.000 0.519 2152 A N 0.972 123.945 122.820 0.255 0.000 2.344 2152 A HA 0.970 5.303 4.320 0.020 0.000 0.307 2152 A C -1.401 176.357 177.584 0.290 0.000 1.151 2152 A CA -0.914 51.286 52.037 0.272 0.000 0.842 2152 A CB 1.471 20.560 19.000 0.149 0.000 1.350 2152 A HN 0.452 nan 8.150 nan 0.000 0.459 2153 L N -0.517 120.882 121.223 0.294 0.000 2.505 2153 L HA 0.589 4.941 4.340 0.020 0.000 0.259 2153 L C -0.891 176.078 176.870 0.165 0.000 0.952 2153 L CA -0.023 54.982 54.840 0.275 0.000 0.840 2153 L CB 2.203 44.489 42.059 0.379 0.000 1.358 2153 L HN 0.883 nan 8.230 nan 0.000 0.409 2154 E N 3.243 123.545 120.200 0.170 0.000 2.224 2154 E HA 0.657 5.019 4.350 0.020 0.000 0.265 2154 E C -1.607 175.092 176.600 0.164 0.000 0.878 2154 E CA -0.614 55.814 56.400 0.047 0.000 0.759 2154 E CB 1.496 31.217 29.700 0.035 0.000 1.164 2154 E HN 0.510 nan 8.360 nan 0.000 0.414 2155 I N 4.461 124.994 120.570 -0.061 0.000 2.378 2155 I HA 0.322 4.504 4.170 0.020 0.000 0.291 2155 I C -0.966 175.109 176.117 -0.071 0.000 0.992 2155 I CA -0.271 61.059 61.300 0.050 0.000 1.154 2155 I CB 0.868 38.842 38.000 -0.043 0.000 1.315 2155 I HN 0.430 nan 8.210 nan 0.000 0.448 2156 F N 6.076 126.075 119.950 0.082 0.000 2.420 2156 F HA 0.577 5.120 4.527 0.026 0.000 0.342 2156 F C 0.238 176.090 175.800 0.087 0.000 1.113 2156 F CA -0.722 57.327 58.000 0.082 0.000 1.059 2156 F CB 1.117 40.195 39.000 0.129 0.000 1.128 2156 F HN 0.174 nan 8.300 nan 0.000 0.475 2157 M N 1.615 121.352 119.600 0.228 0.000 2.494 2157 M HA 0.413 4.905 4.480 0.020 0.000 0.300 2157 M C 1.299 177.713 176.300 0.191 0.000 1.189 2157 M CA -0.678 54.745 55.300 0.205 0.000 0.982 2157 M CB 0.836 33.564 32.600 0.213 0.000 1.534 2157 M HN 0.699 nan 8.290 nan 0.000 0.488 2158 A N 1.482 124.398 122.820 0.160 0.000 1.978 2158 A HA -0.166 4.167 4.320 0.020 0.000 0.220 2158 A C 1.214 178.872 177.584 0.123 0.000 1.170 2158 A CA 1.912 54.026 52.037 0.128 0.000 0.636 2158 A CB -0.966 18.100 19.000 0.109 0.000 0.810 2158 A HN 0.896 nan 8.150 nan 0.000 0.448 2159 N N -1.099 117.679 118.700 0.130 0.000 2.413 2159 N HA -0.043 4.709 4.740 0.020 0.000 0.207 2159 N C 0.291 175.876 175.510 0.125 0.000 1.206 2159 N CA 0.289 53.408 53.050 0.115 0.000 0.832 2159 N CB -0.270 38.283 38.487 0.110 0.000 1.037 2159 N HN 0.357 nan 8.380 nan 0.000 0.467 2160 R N -2.090 118.500 120.500 0.151 0.000 3.977 2160 R HA -0.126 4.226 4.340 0.020 0.000 0.428 2160 R C -0.557 175.852 176.300 0.182 0.000 1.079 2160 R CA 0.613 56.824 56.100 0.185 0.000 1.269 2160 R CB -2.712 27.678 30.300 0.150 0.000 1.856 2160 R HN 0.308 nan 8.270 nan 0.000 0.551 2161 V N 0.755 120.752 119.914 0.138 0.000 2.881 2161 V HA 0.618 4.751 4.120 0.020 0.000 0.303 2161 V C 0.918 176.991 176.094 -0.034 0.000 1.070 2161 V CA 0.317 62.665 62.300 0.079 0.000 1.074 2161 V CB 1.697 33.592 31.823 0.118 0.000 1.012 2161 V HN 0.371 nan 8.190 nan 0.000 0.482 2162 A N 3.320 126.023 122.820 -0.196 0.000 2.455 2162 A HA 0.766 5.098 4.320 0.020 0.000 0.300 2162 A C -1.176 176.152 177.584 -0.427 0.000 1.040 2162 A CA -0.511 51.209 52.037 -0.529 0.000 0.697 2162 A CB 2.011 20.265 19.000 -1.242 0.000 1.265 2162 A HN 0.927 nan 8.150 nan 0.000 0.407 2163 V N 3.808 123.401 119.914 -0.536 0.000 2.656 2163 V HA 0.803 4.935 4.120 0.020 0.000 0.307 2163 V C -0.572 175.037 176.094 -0.807 0.000 1.051 2163 V CA -0.750 61.163 62.300 -0.644 0.000 0.893 2163 V CB 1.721 33.040 31.823 -0.839 0.000 0.999 2163 V HN 1.035 nan 8.190 nan 0.000 0.426 2164 M N 6.225 125.338 119.600 -0.811 0.000 2.456 2164 M HA 0.667 5.159 4.480 0.020 0.000 0.324 2164 M C -2.029 173.679 176.300 -0.987 0.000 1.124 2164 M CA -0.387 54.497 55.300 -0.693 0.000 0.959 2164 M CB 1.846 34.219 32.600 -0.378 0.000 1.692 2164 M HN 0.670 nan 8.290 nan 0.000 0.444 2165 F N 1.894 121.629 119.950 -0.359 0.000 2.576 2165 F HA 0.477 5.012 4.527 0.014 0.000 0.313 2165 F C -0.310 175.126 175.800 -0.608 0.000 1.078 2165 F CA -0.927 56.717 58.000 -0.593 0.000 0.921 2165 F CB 1.901 40.483 39.000 -0.697 0.000 1.232 2165 F HN 0.554 nan 8.300 nan 0.000 0.459 2166 N N 1.087 119.446 118.700 -0.569 0.000 2.335 2166 N HA 0.668 5.420 4.740 0.020 0.000 0.304 2166 N C -1.638 173.476 175.510 -0.660 0.000 1.135 2166 N CA -0.377 52.407 53.050 -0.444 0.000 0.817 2166 N CB 1.234 39.438 38.487 -0.471 0.000 1.294 2166 N HN 0.370 nan 8.380 nan 0.000 0.497 2167 F N 0.726 120.690 119.950 0.022 0.000 2.654 2167 F HA 0.506 5.054 4.527 0.034 0.000 0.334 2167 F C -1.320 174.507 175.800 0.045 0.000 1.078 2167 F CA -1.737 56.283 58.000 0.032 0.000 0.986 2167 F CB 1.365 40.387 39.000 0.036 0.000 1.362 2167 F HN 0.400 nan 8.300 nan 0.000 0.498 2168 P HA -0.024 nan 4.420 nan 0.000 0.217 2168 P C -1.103 176.280 177.300 0.138 0.000 1.150 2168 P CA 1.506 64.698 63.100 0.153 0.000 0.832 2168 P CB 0.006 31.784 31.700 0.130 0.000 0.787 2169 D N -5.455 115.036 120.400 0.151 0.000 2.639 2169 D HA 0.144 4.797 4.640 0.020 0.000 0.271 2169 D C -2.475 173.886 176.300 0.101 0.000 1.254 2169 D CA -1.961 52.105 54.000 0.110 0.000 0.810 2169 D CB -0.092 40.753 40.800 0.076 0.000 1.351 2169 D HN -0.198 nan 8.370 nan 0.000 0.427 2170 P HA -0.110 nan 4.420 nan 0.000 0.218 2170 P C 1.256 178.566 177.300 0.016 0.000 1.149 2170 P CA 1.661 64.794 63.100 0.056 0.000 0.817 2170 P CB -0.081 31.651 31.700 0.052 0.000 0.785 2171 A N 0.131 122.961 122.820 0.017 0.000 1.940 2171 A HA -0.163 4.169 4.320 0.020 0.000 0.219 2171 A C 2.296 179.861 177.584 -0.032 0.000 1.176 2171 A CA 2.402 54.439 52.037 -0.000 0.000 0.631 2171 A CB -1.917 17.091 19.000 0.013 0.000 0.814 2171 A HN 0.211 nan 8.150 nan 0.000 0.446 2172 T N -0.541 113.988 114.554 -0.042 0.000 2.867 2172 T HA -0.076 4.287 4.350 0.020 0.000 0.268 2172 T C 1.811 176.315 174.700 -0.327 0.000 1.057 2172 T CA 1.347 63.372 62.100 -0.126 0.000 1.136 2172 T CB -0.312 68.524 68.868 -0.054 0.000 0.874 2172 T HN 0.174 nan 8.240 nan 0.000 0.466 2173 V N 1.489 121.231 119.914 -0.287 0.000 2.407 2173 V HA -0.154 3.979 4.120 0.020 0.000 0.248 2173 V C 2.467 178.447 176.094 -0.190 0.000 1.055 2173 V CA 1.605 63.707 62.300 -0.330 0.000 1.049 2173 V CB -0.465 31.306 31.823 -0.086 0.000 0.662 2173 V HN 0.434 nan 8.190 nan 0.000 0.455 2174 K N 0.322 120.658 120.400 -0.107 0.000 2.062 2174 K HA -0.175 4.157 4.320 0.020 0.000 0.205 2174 K C 2.299 178.862 176.600 -0.062 0.000 1.051 2174 K CA 1.400 57.647 56.287 -0.067 0.000 0.941 2174 K CB -0.143 32.334 32.500 -0.039 0.000 0.719 2174 K HN 0.322 nan 8.250 nan 0.000 0.440 2175 K N 0.384 120.753 120.400 -0.050 0.000 2.057 2175 K HA -0.109 4.223 4.320 0.020 0.000 0.207 2175 K C 1.794 178.451 176.600 0.096 0.000 1.049 2175 K CA 1.479 57.786 56.287 0.035 0.000 0.931 2175 K CB 0.062 32.589 32.500 0.045 0.000 0.714 2175 K HN 0.026 nan 8.250 nan 0.000 0.440 2176 V N 0.703 120.580 119.914 -0.062 0.000 2.515 2176 V HA -0.176 3.956 4.120 0.020 0.000 0.250 2176 V C 2.208 178.304 176.094 0.003 0.000 1.058 2176 V CA 1.195 63.461 62.300 -0.056 0.000 1.064 2176 V CB 0.045 31.655 31.823 -0.355 0.000 0.675 2176 V HN 0.137 nan 8.190 nan 0.000 0.461 2177 V N 0.719 120.602 119.914 -0.052 0.000 2.667 2177 V HA -0.181 3.952 4.120 0.020 0.000 0.252 2177 V C 2.239 178.293 176.094 -0.065 0.000 1.065 2177 V CA 2.051 64.321 62.300 -0.049 0.000 1.083 2177 V CB -0.891 30.899 31.823 -0.056 0.000 0.692 2177 V HN 0.681 nan 8.190 nan 0.000 0.468 2178 N N -0.029 118.619 118.700 -0.086 0.000 2.396 2178 N HA -0.090 4.662 4.740 0.020 0.000 0.180 2178 N C 1.278 176.596 175.510 -0.321 0.000 1.028 2178 N CA 1.289 54.206 53.050 -0.222 0.000 0.893 2178 N CB -0.142 38.152 38.487 -0.322 0.000 0.967 2178 N HN 0.468 nan 8.380 nan 0.000 0.440 2179 F N -0.694 119.246 119.950 -0.017 0.000 2.727 2179 F HA 0.309 4.848 4.527 0.020 0.000 0.302 2179 F C 0.067 175.893 175.800 0.043 0.000 1.097 2179 F CA -0.484 57.542 58.000 0.044 0.000 1.330 2179 F CB 0.304 39.346 39.000 0.070 0.000 1.084 2179 F HN -0.036 nan 8.300 nan 0.000 0.578 2180 L N 0.427 121.657 121.223 0.012 0.000 2.375 2180 L HA 0.414 4.766 4.340 0.020 0.000 0.268 2180 L C -2.035 174.600 176.870 -0.393 0.000 1.058 2180 L CA -2.531 52.118 54.840 -0.318 0.000 0.803 2180 L CB -0.057 41.879 42.059 -0.204 0.000 1.212 2180 L HN -0.272 nan 8.230 nan 0.000 0.451 2181 P HA 0.009 nan 4.420 nan 0.000 0.265 2181 P C -0.658 176.530 177.300 -0.187 0.000 1.187 2181 P CA -0.101 62.790 63.100 -0.349 0.000 0.766 2181 P CB 0.258 31.745 31.700 -0.355 0.000 0.820 2182 R N 3.175 123.608 120.500 -0.112 0.000 2.609 2182 R HA 0.116 4.468 4.340 0.020 0.000 0.271 2182 R C 0.524 176.779 176.300 -0.075 0.000 1.403 2182 R CA -0.020 56.028 56.100 -0.086 0.000 1.138 2182 R CB -0.665 29.598 30.300 -0.062 0.000 1.142 2182 R HN 0.394 nan 8.270 nan 0.000 0.559 2183 V N 1.089 120.951 119.914 -0.086 0.000 3.556 2183 V HA 0.399 4.532 4.120 0.020 0.000 0.287 2183 V C 1.102 177.135 176.094 -0.103 0.000 1.422 2183 V CA 0.337 62.590 62.300 -0.078 0.000 1.038 2183 V CB -0.123 31.661 31.823 -0.064 0.000 0.850 2183 V HN 0.841 nan 8.190 nan 0.000 0.437 2184 G N 1.025 109.758 108.800 -0.112 0.000 2.611 2184 G HA2 -0.300 3.673 3.960 0.020 0.000 0.301 2184 G HA3 -0.300 3.673 3.960 0.020 0.000 0.301 2184 G C 0.544 175.297 174.900 -0.245 0.000 1.233 2184 G CA 0.549 45.563 45.100 -0.142 0.000 0.993 2184 G HN 1.047 nan 8.290 nan 0.000 0.553 2185 V N 2.183 121.913 119.914 -0.307 0.000 3.177 2185 V HA 0.582 4.715 4.120 0.020 0.000 0.342 2185 V C 1.294 177.124 176.094 -0.440 0.000 1.379 2185 V CA 1.949 63.884 62.300 -0.609 0.000 1.191 2185 V CB -0.646 30.840 31.823 -0.562 0.000 1.167 2185 V HN 2.639 nan 8.190 nan 0.000 0.471 2186 G N 0.733 109.377 108.800 -0.261 0.000 2.549 2186 G HA2 -0.160 3.812 3.960 0.020 0.000 0.404 2186 G HA3 -0.160 3.812 3.960 0.020 0.000 0.404 2186 G C 0.359 175.153 174.900 -0.175 0.000 1.292 2186 G CA 0.256 45.227 45.100 -0.215 0.000 0.935 2186 G HN 0.766 nan 8.290 nan 0.000 0.512 2187 T N -3.476 110.974 114.554 -0.175 0.000 3.043 2187 T HA 0.429 4.791 4.350 0.020 0.000 0.272 2187 T C 1.857 176.487 174.700 -0.118 0.000 0.990 2187 T CA 1.321 63.352 62.100 -0.114 0.000 0.897 2187 T CB 0.098 68.922 68.868 -0.073 0.000 1.111 2187 T HN 1.747 nan 8.240 nan 0.000 0.529 2188 S N 0.059 115.619 115.700 -0.233 0.000 2.575 2188 S HA 0.368 4.850 4.470 0.020 0.000 0.215 2188 S C 0.806 175.406 174.600 -0.001 0.000 0.966 2188 S CA -0.659 57.439 58.200 -0.170 0.000 0.911 2188 S CB -0.905 62.159 63.200 -0.227 0.000 0.780 2188 S HN 0.560 nan 8.310 nan 0.000 0.514 2189 F N 1.680 121.619 119.950 -0.017 0.000 2.653 2189 F HA 0.375 4.914 4.527 0.019 0.000 0.304 2189 F C 1.697 177.452 175.800 -0.076 0.000 1.092 2189 F CA -0.365 57.603 58.000 -0.053 0.000 1.279 2189 F CB 0.420 39.471 39.000 0.086 0.000 1.044 2189 F HN 0.405 nan 8.300 nan 0.000 0.564 2190 G N 2.143 111.005 108.800 0.104 0.000 2.225 2190 G HA2 -0.308 3.664 3.960 0.020 0.000 0.267 2190 G HA3 -0.308 3.664 3.960 0.020 0.000 0.267 2190 G C -0.232 174.692 174.900 0.040 0.000 1.024 2190 G CA 0.024 45.147 45.100 0.039 0.000 0.784 2190 G HN 0.317 nan 8.290 nan 0.000 0.507 2191 L N -0.284 120.977 121.223 0.064 0.000 2.334 2191 L HA 0.522 4.874 4.340 0.020 0.000 0.273 2191 L C -1.746 175.128 176.870 0.006 0.000 1.013 2191 L CA -2.500 52.366 54.840 0.044 0.000 0.816 2191 L CB 1.631 43.741 42.059 0.085 0.000 1.278 2191 L HN -0.126 nan 8.230 nan 0.000 0.431 2192 P HA 0.020 nan 4.420 nan 0.000 0.268 2192 P C -1.094 176.185 177.300 -0.035 0.000 1.208 2192 P CA -0.169 62.920 63.100 -0.019 0.000 0.777 2192 P CB 0.340 32.029 31.700 -0.018 0.000 0.875 2193 Q N 1.067 120.842 119.800 -0.042 0.000 2.963 2193 Q HA 0.217 4.570 4.340 0.020 0.000 0.262 2193 Q C -0.488 175.479 176.000 -0.057 0.000 1.318 2193 Q CA -0.003 55.765 55.803 -0.058 0.000 1.089 2193 Q CB 0.141 28.846 28.738 -0.054 0.000 1.424 2193 Q HN 0.452 nan 8.270 nan 0.000 0.560 2194 T N -0.883 113.635 114.554 -0.059 0.000 2.942 2194 T HA 0.325 4.687 4.350 0.020 0.000 0.289 2194 T C 1.030 175.691 174.700 -0.065 0.000 1.044 2194 T CA -0.811 61.256 62.100 -0.055 0.000 1.023 2194 T CB 1.810 70.652 68.868 -0.042 0.000 1.123 2194 T HN 0.352 nan 8.240 nan 0.000 0.512 2195 R N 0.120 120.582 120.500 -0.064 0.000 2.115 2195 R HA 0.009 4.361 4.340 0.020 0.000 0.230 2195 R C 2.540 178.807 176.300 -0.055 0.000 1.111 2195 R CA 0.841 56.900 56.100 -0.068 0.000 0.976 2195 R CB -0.053 30.203 30.300 -0.074 0.000 0.870 2195 R HN 0.467 nan 8.270 nan 0.000 0.445 2196 R N 0.841 121.314 120.500 -0.046 0.000 2.083 2196 R HA -0.135 4.217 4.340 0.020 0.000 0.237 2196 R C 1.988 178.270 176.300 -0.030 0.000 1.137 2196 R CA 1.330 57.411 56.100 -0.033 0.000 0.951 2196 R CB -0.101 30.183 30.300 -0.026 0.000 0.851 2196 R HN 0.101 nan 8.270 nan 0.000 0.434 2197 I N 0.896 121.442 120.570 -0.040 0.000 2.264 2197 I HA -0.210 3.972 4.170 0.020 0.000 0.248 2197 I C 2.031 178.110 176.117 -0.064 0.000 1.111 2197 I CA 1.385 62.658 61.300 -0.044 0.000 1.382 2197 I CB -0.931 37.035 38.000 -0.057 0.000 1.060 2197 I HN 0.172 nan 8.210 nan 0.000 0.418 2198 S N 0.472 116.124 115.700 -0.080 0.000 2.447 2198 S HA 0.011 4.494 4.470 0.020 0.000 0.233 2198 S C 1.831 176.419 174.600 -0.019 0.000 1.006 2198 S CA 0.732 58.882 58.200 -0.083 0.000 0.957 2198 S CB -0.044 63.108 63.200 -0.080 0.000 0.773 2198 S HN 0.400 nan 8.310 nan 0.000 0.507 2199 L N 0.658 121.873 121.223 -0.013 0.000 2.640 2199 L HA 0.354 4.706 4.340 0.020 0.000 0.230 2199 L C 0.909 177.790 176.870 0.019 0.000 1.123 2199 L CA -0.402 54.443 54.840 0.008 0.000 0.900 2199 L CB -0.297 41.759 42.059 -0.005 0.000 1.146 2199 L HN 0.121 nan 8.230 nan 0.000 0.484 2200 A N 0.847 123.676 122.820 0.014 0.000 2.498 2200 A HA 0.292 4.624 4.320 0.020 0.000 0.239 2200 A C 0.812 178.422 177.584 0.043 0.000 1.068 2200 A CA -0.002 52.050 52.037 0.025 0.000 0.766 2200 A CB 0.156 19.169 19.000 0.021 0.000 1.003 2200 A HN 0.355 nan 8.150 nan 0.000 0.497 2201 S N 2.496 118.223 115.700 0.045 0.000 2.576 2201 S HA 0.282 4.764 4.470 0.020 0.000 0.276 2201 S C -1.824 172.811 174.600 0.058 0.000 1.339 2201 S CA -0.645 57.585 58.200 0.051 0.000 1.039 2201 S CB 0.541 63.769 63.200 0.047 0.000 0.902 2201 S HN 0.461 nan 8.310 nan 0.000 0.516 2202 P HA -0.143 nan 4.420 nan 0.000 0.216 2202 P C 1.532 178.869 177.300 0.062 0.000 1.154 2202 P CA 1.332 64.458 63.100 0.044 0.000 0.865 2202 P CB 0.055 31.771 31.700 0.028 0.000 0.789 2203 R N -0.585 119.955 120.500 0.066 0.000 2.115 2203 R HA -0.113 4.239 4.340 0.020 0.000 0.230 2203 R C 2.317 178.701 176.300 0.140 0.000 1.111 2203 R CA 1.280 57.437 56.100 0.095 0.000 0.976 2203 R CB -0.459 29.883 30.300 0.070 0.000 0.870 2203 R HN 0.428 nan 8.270 nan 0.000 0.445 2204 Q N 0.296 120.157 119.800 0.100 0.000 2.096 2204 Q HA -0.026 4.326 4.340 0.020 0.000 0.197 2204 Q C 2.231 178.291 176.000 0.099 0.000 0.964 2204 Q CA 0.878 56.735 55.803 0.089 0.000 0.838 2204 Q CB -0.003 28.770 28.738 0.058 0.000 0.906 2204 Q HN 0.290 nan 8.270 nan 0.000 0.444 2205 L N -0.214 121.071 121.223 0.104 0.000 2.131 2205 L HA -0.179 4.174 4.340 0.020 0.000 0.210 2205 L C 2.214 179.183 176.870 0.164 0.000 1.092 2205 L CA 0.969 55.876 54.840 0.112 0.000 0.759 2205 L CB -0.379 41.736 42.059 0.092 0.000 0.903 2205 L HN 0.197 nan 8.230 nan 0.000 0.435 2206 F N 1.011 120.980 119.950 0.031 0.000 2.053 2206 F HA -0.212 4.327 4.527 0.020 0.000 0.292 2206 F C 2.690 178.539 175.800 0.080 0.000 1.125 2206 F CA 1.804 59.844 58.000 0.066 0.000 1.193 2206 F CB -0.263 38.741 39.000 0.007 0.000 0.996 2206 F HN -0.152 nan 8.300 nan 0.000 0.470 2207 K N 0.334 120.820 120.400 0.143 0.000 2.059 2207 K HA -0.229 4.103 4.320 0.020 0.000 0.212 2207 K C 1.922 178.479 176.600 -0.072 0.000 1.050 2207 K CA 1.664 57.957 56.287 0.011 0.000 0.927 2207 K CB -0.536 32.025 32.500 0.102 0.000 0.714 2207 K HN 0.359 nan 8.250 nan 0.000 0.447 2208 A N 0.449 123.258 122.820 -0.019 0.000 2.208 2208 A HA 0.041 4.373 4.320 0.020 0.000 0.209 2208 A C 1.006 178.568 177.584 -0.037 0.000 1.161 2208 A CA 0.384 52.408 52.037 -0.022 0.000 0.782 2208 A CB -0.099 18.906 19.000 0.009 0.000 0.816 2208 A HN 0.334 nan 8.150 nan 0.000 0.477 2209 S N 0.247 115.910 115.700 -0.062 0.000 2.632 2209 S HA 0.186 4.668 4.470 0.020 0.000 0.271 2209 S C 0.864 175.372 174.600 -0.152 0.000 1.260 2209 S CA -0.092 58.067 58.200 -0.069 0.000 1.010 2209 S CB 0.286 63.478 63.200 -0.014 0.000 0.965 2209 S HN 0.657 nan 8.310 nan 0.000 0.534 2210 N N 3.456 122.076 118.700 -0.133 0.000 2.235 2210 N HA 0.040 4.792 4.740 0.020 0.000 0.209 2210 N C 1.123 176.529 175.510 -0.174 0.000 1.122 2210 N CA -0.392 52.580 53.050 -0.130 0.000 0.845 2210 N CB 0.045 38.492 38.487 -0.068 0.000 1.004 2210 N HN 0.410 nan 8.380 nan 0.000 0.499 2211 M N 0.838 120.250 119.600 -0.313 0.000 2.175 2211 M HA -0.059 4.434 4.480 0.020 0.000 0.264 2211 M C 1.644 177.847 176.300 -0.163 0.000 1.063 2211 M CA 1.292 56.358 55.300 -0.390 0.000 1.119 2211 M CB -1.072 30.786 32.600 -1.236 0.000 1.377 2211 M HN 0.212 nan 8.290 nan 0.000 0.415 2212 T N 0.153 114.641 114.554 -0.111 0.000 2.746 2212 T HA -0.186 4.176 4.350 0.020 0.000 0.267 2212 T C 1.903 176.538 174.700 -0.109 0.000 1.039 2212 T CA 1.233 63.290 62.100 -0.071 0.000 1.142 2212 T CB -0.148 68.680 68.868 -0.068 0.000 0.866 2212 T HN 0.429 nan 8.240 nan 0.000 0.444 2213 Q N 0.488 120.193 119.800 -0.158 0.000 2.050 2213 Q HA -0.090 4.262 4.340 0.020 0.000 0.202 2213 Q C 2.646 178.504 176.000 -0.237 0.000 0.980 2213 Q CA 1.203 56.866 55.803 -0.233 0.000 0.840 2213 Q CB -0.031 28.617 28.738 -0.149 0.000 0.898 2213 Q HN 0.436 nan 8.270 nan 0.000 0.424 2214 R N -0.759 119.690 120.500 -0.086 0.000 2.120 2214 R HA -0.185 4.167 4.340 0.020 0.000 0.234 2214 R C 1.888 178.187 176.300 -0.002 0.000 1.123 2214 R CA 1.355 57.453 56.100 -0.003 0.000 0.975 2214 R CB -0.447 29.860 30.300 0.012 0.000 0.866 2214 R HN 0.437 nan 8.270 nan 0.000 0.446 2215 W N 2.415 123.551 121.300 -0.273 0.000 2.409 2215 W HA -0.121 4.552 4.660 0.022 0.000 0.299 2215 W C 1.879 178.239 176.519 -0.266 0.000 1.203 2215 W CA 1.119 58.269 57.345 -0.325 0.000 1.298 2215 W CB -0.181 28.806 29.460 -0.788 0.000 1.127 2215 W HN 0.002 nan 8.180 nan 0.000 0.528 2216 Q N -1.037 118.482 119.800 -0.469 0.000 2.124 2216 Q HA -0.229 4.124 4.340 0.020 0.000 0.202 2216 Q C 1.884 177.625 176.000 -0.432 0.000 0.977 2216 Q CA 1.569 56.984 55.803 -0.647 0.000 0.850 2216 Q CB -0.552 27.866 28.738 -0.533 0.000 0.901 2216 Q HN 0.364 nan 8.270 nan 0.000 0.429 2217 H N 0.063 119.002 119.070 -0.219 0.000 2.555 2217 H HA 0.163 4.732 4.556 0.020 0.000 0.269 2217 H C 0.313 175.551 175.328 -0.149 0.000 0.988 2217 H CA 0.608 56.560 56.048 -0.159 0.000 1.178 2217 H CB 0.299 29.998 29.762 -0.105 0.000 1.373 2217 H HN 0.221 nan 8.280 nan 0.000 0.588 2218 R N -0.235 120.217 120.500 -0.081 0.000 3.762 2218 R HA -0.170 4.182 4.340 0.020 0.000 0.328 2218 R C 0.568 176.875 176.300 0.010 0.000 1.164 2218 R CA 0.808 56.867 56.100 -0.070 0.000 0.861 2218 R CB -2.016 28.230 30.300 -0.091 0.000 1.408 2218 R HN 0.424 nan 8.270 nan 0.000 0.502 2219 E N 0.215 120.439 120.200 0.040 0.000 2.285 2219 E HA 0.051 4.413 4.350 0.020 0.000 0.194 2219 E C 0.504 177.155 176.600 0.085 0.000 0.997 2219 E CA 0.590 57.022 56.400 0.052 0.000 0.845 2219 E CB 0.273 30.004 29.700 0.051 0.000 0.782 2219 E HN 0.169 nan 8.360 nan 0.000 0.491 2220 I N 1.051 121.690 120.570 0.116 0.000 2.433 2220 I HA 0.125 4.307 4.170 0.020 0.000 0.292 2220 I C 0.503 176.780 176.117 0.268 0.000 1.001 2220 I CA -0.733 60.684 61.300 0.195 0.000 1.119 2220 I CB 1.453 39.588 38.000 0.225 0.000 1.289 2220 I HN -0.082 nan 8.210 nan 0.000 0.438 2221 S N 5.015 120.882 115.700 0.278 0.000 2.645 2221 S HA 0.285 4.768 4.470 0.020 0.000 0.266 2221 S C 0.936 175.792 174.600 0.427 0.000 1.258 2221 S CA -0.493 57.888 58.200 0.301 0.000 0.990 2221 S CB 1.028 64.382 63.200 0.257 0.000 0.967 2221 S HN 0.557 nan 8.310 nan 0.000 0.556 2222 N N 0.311 119.255 118.700 0.406 0.000 2.120 2222 N HA -0.085 4.667 4.740 0.020 0.000 0.188 2222 N C 1.286 176.909 175.510 0.189 0.000 1.024 2222 N CA 1.238 54.515 53.050 0.379 0.000 0.852 2222 N CB -0.840 37.823 38.487 0.293 0.000 1.003 2222 N HN 0.713 nan 8.380 nan 0.000 0.424 2223 F N 2.304 122.326 119.950 0.121 0.000 2.065 2223 F HA -0.206 4.333 4.527 0.020 0.000 0.298 2223 F C 2.244 178.167 175.800 0.205 0.000 1.112 2223 F CA 1.672 59.784 58.000 0.186 0.000 1.212 2223 F CB -0.201 38.937 39.000 0.231 0.000 0.975 2223 F HN 0.053 nan 8.300 nan 0.000 0.476 2224 E N -1.214 119.215 120.200 0.382 0.000 2.077 2224 E HA -0.285 4.078 4.350 0.020 0.000 0.193 2224 E C 2.051 178.751 176.600 0.167 0.000 0.989 2224 E CA 1.583 58.152 56.400 0.281 0.000 0.800 2224 E CB -0.560 29.334 29.700 0.324 0.000 0.746 2224 E HN 0.573 nan 8.360 nan 0.000 0.452 2225 Y N 1.344 121.641 120.300 -0.005 0.000 2.181 2225 Y HA -0.183 4.380 4.550 0.022 0.000 0.288 2225 Y C 1.905 177.663 175.900 -0.237 0.000 1.146 2225 Y CA 1.230 59.243 58.100 -0.145 0.000 1.164 2225 Y CB -0.249 37.902 38.460 -0.514 0.000 0.982 2225 Y HN -0.035 nan 8.280 nan 0.000 0.515 2226 L N -1.066 119.908 121.223 -0.415 0.000 2.042 2226 L HA -0.305 4.047 4.340 0.020 0.000 0.210 2226 L C 2.463 179.042 176.870 -0.485 0.000 1.076 2226 L CA 1.317 55.767 54.840 -0.650 0.000 0.749 2226 L CB -0.573 40.805 42.059 -1.135 0.000 0.893 2226 L HN 0.256 nan 8.230 nan 0.000 0.432 2227 M N -1.000 118.428 119.600 -0.287 0.000 2.159 2227 M HA -0.228 4.264 4.480 0.020 0.000 0.263 2227 M C 2.368 178.578 176.300 -0.149 0.000 1.063 2227 M CA 1.723 56.951 55.300 -0.121 0.000 1.110 2227 M CB -1.128 31.443 32.600 -0.049 0.000 1.374 2227 M HN 0.223 nan 8.290 nan 0.000 0.411 2228 F N 1.251 121.027 119.950 -0.291 0.000 2.102 2228 F HA -0.175 4.365 4.527 0.022 0.000 0.298 2228 F C 1.979 177.452 175.800 -0.545 0.000 1.105 2228 F CA 1.478 59.228 58.000 -0.416 0.000 1.239 2228 F CB -0.544 38.181 39.000 -0.458 0.000 0.991 2228 F HN 0.012 nan 8.300 nan 0.000 0.474 2229 L N 0.356 120.988 121.223 -0.985 0.000 2.017 2229 L HA -0.264 4.088 4.340 0.020 0.000 0.208 2229 L C 2.495 178.768 176.870 -0.994 0.000 1.073 2229 L CA 1.547 55.626 54.840 -1.268 0.000 0.745 2229 L CB -1.004 40.169 42.059 -1.476 0.000 0.894 2229 L HN 0.249 nan 8.230 nan 0.000 0.432 2230 N N -0.474 117.878 118.700 -0.581 0.000 2.084 2230 N HA -0.159 4.593 4.740 0.020 0.000 0.190 2230 N C 1.786 177.154 175.510 -0.238 0.000 1.030 2230 N CA 2.056 54.998 53.050 -0.180 0.000 0.849 2230 N CB -0.224 38.230 38.487 -0.056 0.000 1.012 2230 N HN 0.304 nan 8.380 nan 0.000 0.423 2231 T N 2.281 116.647 114.554 -0.313 0.000 2.684 2231 T HA -0.072 4.290 4.350 0.020 0.000 0.267 2231 T C 1.917 176.463 174.700 -0.257 0.000 1.036 2231 T CA 0.650 62.582 62.100 -0.281 0.000 1.148 2231 T CB -0.037 68.717 68.868 -0.191 0.000 0.863 2231 T HN 0.136 nan 8.240 nan 0.000 0.436 2232 I N 1.321 121.640 120.570 -0.418 0.000 2.614 2232 I HA 0.004 4.186 4.170 0.020 0.000 0.258 2232 I C 2.577 178.587 176.117 -0.178 0.000 1.189 2232 I CA 0.550 61.660 61.300 -0.316 0.000 1.462 2232 I CB -1.321 36.253 38.000 -0.710 0.000 1.092 2232 I HN 0.177 nan 8.210 nan 0.000 0.442 2233 A N -0.220 122.489 122.820 -0.185 0.000 2.208 2233 A HA 0.343 4.675 4.320 0.020 0.000 0.209 2233 A C 1.912 179.501 177.584 0.009 0.000 1.161 2233 A CA 0.983 53.011 52.037 -0.016 0.000 0.782 2233 A CB -0.356 18.769 19.000 0.210 0.000 0.816 2233 A HN 0.505 nan 8.150 nan 0.000 0.477 2234 G N -1.296 107.489 108.800 -0.024 0.000 2.184 2234 G HA2 -0.180 3.793 3.960 0.020 0.000 0.206 2234 G HA3 -0.180 3.793 3.960 0.020 0.000 0.206 2234 G C 0.255 175.129 174.900 -0.042 0.000 0.995 2234 G CA -0.155 44.940 45.100 -0.009 0.000 0.651 2234 G HN 0.411 nan 8.290 nan 0.000 0.511 2235 R N 1.153 121.613 120.500 -0.067 0.000 2.537 2235 R HA 0.520 4.872 4.340 0.020 0.000 0.280 2235 R C 0.451 176.635 176.300 -0.193 0.000 1.058 2235 R CA 0.984 57.020 56.100 -0.106 0.000 1.057 2235 R CB 1.149 31.395 30.300 -0.090 0.000 0.973 2235 R HN 0.896 nan 8.270 nan 0.000 0.438 2236 S N 1.130 116.706 115.700 -0.206 0.000 2.607 2236 S HA 0.291 4.773 4.470 0.020 0.000 0.273 2236 S C 0.152 174.613 174.600 -0.231 0.000 1.148 2236 S CA -0.896 57.158 58.200 -0.243 0.000 0.833 2236 S CB 0.829 63.968 63.200 -0.101 0.000 1.130 2236 S HN 0.616 nan 8.310 nan 0.000 0.470 2237 Y N 0.852 121.129 120.300 -0.040 0.000 2.561 2237 Y HA 0.137 4.697 4.550 0.016 0.000 0.291 2237 Y C 2.193 178.179 175.900 0.144 0.000 1.141 2237 Y CA 0.143 58.282 58.100 0.066 0.000 1.303 2237 Y CB 0.000 38.512 38.460 0.087 0.000 1.015 2237 Y HN 0.591 nan 8.280 nan 0.000 0.547 2238 N N -0.223 118.569 118.700 0.153 0.000 2.416 2238 N HA -0.089 4.663 4.740 0.020 0.000 0.177 2238 N C -0.244 175.305 175.510 0.065 0.000 1.036 2238 N CA 0.920 54.006 53.050 0.060 0.000 0.901 2238 N CB 0.152 38.586 38.487 -0.089 0.000 0.976 2238 N HN 0.206 nan 8.380 nan 0.000 0.444 2239 D N 0.629 121.089 120.400 0.099 0.000 2.446 2239 D HA 0.176 4.828 4.640 0.020 0.000 0.251 2239 D C 1.090 177.484 176.300 0.157 0.000 1.137 2239 D CA -0.316 53.745 54.000 0.103 0.000 0.890 2239 D CB 0.587 41.444 40.800 0.095 0.000 1.071 2239 D HN -0.088 nan 8.370 nan 0.000 0.528 2240 L N 2.238 123.563 121.223 0.170 0.000 2.349 2240 L HA -0.102 4.250 4.340 0.020 0.000 0.220 2240 L C 1.325 178.238 176.870 0.072 0.000 1.130 2240 L CA 0.610 55.562 54.840 0.187 0.000 0.791 2240 L CB -0.245 41.869 42.059 0.092 0.000 0.918 2240 L HN 0.336 nan 8.230 nan 0.000 0.444 2241 N N 0.146 118.847 118.700 0.002 0.000 2.398 2241 N HA -0.035 4.718 4.740 0.020 0.000 0.188 2241 N C 0.554 176.010 175.510 -0.091 0.000 1.122 2241 N CA 0.545 53.535 53.050 -0.099 0.000 0.866 2241 N CB 0.403 38.797 38.487 -0.156 0.000 0.970 2241 N HN 0.544 nan 8.380 nan 0.000 0.462 2242 Q N -0.156 119.646 119.800 0.004 0.000 2.227 2242 Q HA 0.144 4.497 4.340 0.020 0.000 0.332 2242 Q C -1.050 174.984 176.000 0.057 0.000 0.878 2242 Q CA -0.342 55.456 55.803 -0.009 0.000 1.120 2242 Q CB 0.570 29.292 28.738 -0.026 0.000 1.315 2242 Q HN 0.192 nan 8.270 nan 0.000 0.414 2243 Y N 2.074 122.362 120.300 -0.019 0.000 2.480 2243 Y HA 0.097 4.658 4.550 0.018 0.000 0.338 2243 Y C -2.061 173.858 175.900 0.031 0.000 1.220 2243 Y CA -1.364 56.747 58.100 0.018 0.000 1.430 2243 Y CB 0.568 39.079 38.460 0.085 0.000 1.311 2243 Y HN 0.124 nan 8.280 nan 0.000 0.575 2244 P HA 0.023 nan 4.420 nan 0.000 0.266 2244 P C -1.356 176.080 177.300 0.228 0.000 1.195 2244 P CA 0.253 63.298 63.100 -0.091 0.000 0.768 2244 P CB 0.498 32.018 31.700 -0.300 0.000 0.838 2245 V N 4.627 124.747 119.914 0.343 0.000 2.448 2245 V HA 0.439 4.572 4.120 0.020 0.000 0.295 2245 V C -0.280 176.175 176.094 0.602 0.000 1.025 2245 V CA -0.226 62.343 62.300 0.448 0.000 0.859 2245 V CB 0.693 32.738 31.823 0.370 0.000 0.988 2245 V HN 0.367 nan 8.190 nan 0.000 0.431 2246 F N 5.950 126.007 119.950 0.179 0.000 2.561 2246 F HA 0.713 5.252 4.527 0.020 0.000 0.321 2246 F C -2.227 173.476 175.800 -0.162 0.000 1.065 2246 F CA -2.370 55.607 58.000 -0.038 0.000 0.934 2246 F CB 2.788 41.808 39.000 0.033 0.000 1.215 2246 F HN 0.287 nan 8.300 nan 0.000 0.471 2247 P HA 0.094 nan 4.420 nan 0.000 0.281 2247 P C -1.103 176.195 177.300 -0.004 0.000 1.249 2247 P CA -0.407 62.423 63.100 -0.451 0.000 0.810 2247 P CB 0.940 31.745 31.700 -1.491 0.000 1.008 2248 W N 1.279 122.618 121.300 0.066 0.000 2.190 2248 W HA 0.179 4.852 4.660 0.022 0.000 0.330 2248 W C 1.187 177.764 176.519 0.096 0.000 1.299 2248 W CA -0.042 57.393 57.345 0.151 0.000 1.215 2248 W CB 0.630 30.285 29.460 0.326 0.000 1.147 2248 W HN 0.115 nan 8.180 nan 0.000 0.563 2249 V N 2.979 123.124 119.914 0.386 0.000 3.137 2249 V HA 0.163 4.295 4.120 0.020 0.000 0.236 2249 V C 0.487 176.598 176.094 0.028 0.000 1.260 2249 V CA 0.154 62.584 62.300 0.218 0.000 1.244 2249 V CB -0.121 31.851 31.823 0.247 0.000 1.016 2249 V HN 0.287 nan 8.190 nan 0.000 0.477 2250 I N 1.495 122.038 120.570 -0.045 0.000 2.440 2250 I HA 0.251 4.433 4.170 0.020 0.000 0.294 2250 I C 1.364 177.104 176.117 -0.629 0.000 0.995 2250 I CA 0.442 61.492 61.300 -0.415 0.000 1.306 2250 I CB 1.791 39.566 38.000 -0.375 0.000 1.407 2250 I HN 0.289 nan 8.210 nan 0.000 0.501 2251 T N -0.315 113.744 114.554 -0.824 0.000 2.975 2251 T HA 0.109 4.471 4.350 0.020 0.000 0.257 2251 T C 0.597 174.745 174.700 -0.919 0.000 1.003 2251 T CA -0.190 61.278 62.100 -1.053 0.000 0.932 2251 T CB -0.000 68.573 68.868 -0.491 0.000 1.087 2251 T HN 0.428 nan 8.240 nan 0.000 0.512 2252 N N 0.944 119.154 118.700 -0.816 0.000 2.462 2252 N HA 0.237 4.989 4.740 0.020 0.000 0.242 2252 N C -1.380 173.897 175.510 -0.388 0.000 1.010 2252 N CA -0.560 52.214 53.050 -0.461 0.000 0.939 2252 N CB 0.552 38.865 38.487 -0.289 0.000 1.127 2252 N HN 0.384 nan 8.380 nan 0.000 0.509 2253 Y N 1.574 121.949 120.300 0.124 0.000 2.734 2253 Y HA 0.329 4.891 4.550 0.021 0.000 0.278 2253 Y C 0.984 176.892 175.900 0.012 0.000 1.108 2253 Y CA -0.385 57.777 58.100 0.103 0.000 1.211 2253 Y CB 0.748 39.221 38.460 0.022 0.000 1.182 2253 Y HN 0.442 nan 8.280 nan 0.000 0.547 2254 E N -0.847 119.450 120.200 0.161 0.000 2.378 2254 E HA 0.137 4.499 4.350 0.020 0.000 0.200 2254 E C 0.505 177.174 176.600 0.115 0.000 0.882 2254 E CA 0.155 56.616 56.400 0.102 0.000 1.061 2254 E CB -0.186 29.569 29.700 0.093 0.000 1.049 2254 E HN 0.053 nan 8.360 nan 0.000 0.494 2255 S N 2.713 118.514 115.700 0.168 0.000 2.554 2255 S HA -0.056 4.427 4.470 0.020 0.000 0.290 2255 S C 1.196 175.939 174.600 0.238 0.000 1.309 2255 S CA 0.125 58.426 58.200 0.168 0.000 1.047 2255 S CB 0.573 63.847 63.200 0.124 0.000 0.828 2255 S HN 0.164 nan 8.310 nan 0.000 0.509 2256 E N 0.921 121.209 120.200 0.148 0.000 2.216 2256 E HA 0.022 4.384 4.350 0.020 0.000 0.192 2256 E C 0.288 177.010 176.600 0.202 0.000 0.988 2256 E CA 0.813 57.295 56.400 0.138 0.000 0.834 2256 E CB 0.191 29.937 29.700 0.076 0.000 0.772 2256 E HN 0.530 nan 8.360 nan 0.000 0.479 2257 E N 0.364 120.661 120.200 0.163 0.000 2.256 2257 E HA 0.330 4.692 4.350 0.020 0.000 0.267 2257 E C -1.033 175.543 176.600 -0.040 0.000 0.892 2257 E CA -0.939 55.518 56.400 0.095 0.000 0.775 2257 E CB 2.252 31.973 29.700 0.035 0.000 1.207 2257 E HN -0.084 nan 8.360 nan 0.000 0.420 2258 L N 3.576 124.655 121.223 -0.239 0.000 2.356 2258 L HA 0.248 4.600 4.340 0.020 0.000 0.264 2258 L C -0.569 176.082 176.870 -0.364 0.000 1.029 2258 L CA -0.449 54.048 54.840 -0.572 0.000 0.897 2258 L CB 0.661 41.892 42.059 -1.380 0.000 1.256 2258 L HN 0.258 nan 8.230 nan 0.000 0.444 2259 D N 3.701 123.966 120.400 -0.224 0.000 2.412 2259 D HA 0.003 4.655 4.640 0.020 0.000 0.257 2259 D C 0.724 176.970 176.300 -0.090 0.000 1.217 2259 D CA 0.363 54.296 54.000 -0.111 0.000 0.897 2259 D CB 0.913 41.681 40.800 -0.055 0.000 1.132 2259 D HN 0.585 nan 8.370 nan 0.000 0.493 2260 L N 3.447 124.669 121.223 -0.002 0.000 2.653 2260 L HA 0.043 4.395 4.340 0.020 0.000 0.232 2260 L C 1.847 178.965 176.870 0.414 0.000 1.169 2260 L CA 0.252 55.204 54.840 0.187 0.000 0.951 2260 L CB -0.060 42.081 42.059 0.138 0.000 1.181 2260 L HN 0.484 nan 8.230 nan 0.000 0.460 2261 T N -4.565 110.171 114.554 0.303 0.000 2.985 2261 T HA 0.182 4.544 4.350 0.020 0.000 0.254 2261 T C 0.725 175.635 174.700 0.350 0.000 1.021 2261 T CA -0.227 62.122 62.100 0.414 0.000 0.957 2261 T CB 0.237 69.220 68.868 0.192 0.000 1.047 2261 T HN -0.011 nan 8.240 nan 0.000 0.511 2262 L N 3.070 124.378 121.223 0.140 0.000 2.385 2262 L HA 0.248 4.600 4.340 0.020 0.000 0.281 2262 L C -1.544 175.227 176.870 -0.165 0.000 1.106 2262 L CA -1.666 53.181 54.840 0.011 0.000 0.856 2262 L CB 1.519 43.561 42.059 -0.029 0.000 1.186 2262 L HN 0.045 nan 8.230 nan 0.000 0.453 2263 P HA -0.148 nan 4.420 nan 0.000 0.218 2263 P C 1.511 178.717 177.300 -0.157 0.000 1.148 2263 P CA 1.045 63.893 63.100 -0.420 0.000 0.822 2263 P CB 0.278 31.925 31.700 -0.088 0.000 0.784 2264 T N -1.223 113.281 114.554 -0.083 0.000 3.025 2264 T HA -0.071 4.291 4.350 0.020 0.000 0.270 2264 T C 1.356 175.996 174.700 -0.100 0.000 1.126 2264 T CA 0.980 63.046 62.100 -0.057 0.000 1.105 2264 T CB -0.789 68.055 68.868 -0.040 0.000 0.884 2264 T HN 0.069 nan 8.240 nan 0.000 0.522 2265 N N 0.176 118.784 118.700 -0.152 0.000 2.336 2265 N HA 0.125 4.877 4.740 0.020 0.000 0.189 2265 N C -0.650 174.517 175.510 -0.571 0.000 1.113 2265 N CA 0.200 53.022 53.050 -0.380 0.000 0.858 2265 N CB 0.257 38.421 38.487 -0.538 0.000 0.970 2265 N HN 0.344 nan 8.380 nan 0.000 0.471 2266 F N 0.981 120.743 119.950 -0.313 0.000 2.443 2266 F HA 0.369 4.908 4.527 0.020 0.000 0.335 2266 F C 1.060 176.789 175.800 -0.119 0.000 1.104 2266 F CA -1.162 56.697 58.000 -0.234 0.000 1.013 2266 F CB 1.021 39.855 39.000 -0.278 0.000 1.136 2266 F HN -0.280 nan 8.300 nan 0.000 0.470 2267 R N 2.385 122.942 120.500 0.096 0.000 2.570 2267 R HA -0.024 4.328 4.340 0.020 0.000 0.277 2267 R C -0.577 175.824 176.300 0.169 0.000 1.039 2267 R CA -0.107 56.081 56.100 0.146 0.000 1.065 2267 R CB 0.474 30.894 30.300 0.199 0.000 0.964 2267 R HN 0.698 nan 8.270 nan 0.000 0.428 2268 D N 5.100 125.596 120.400 0.159 0.000 2.348 2268 D HA -0.013 4.639 4.640 0.020 0.000 0.259 2268 D C 1.004 177.402 176.300 0.163 0.000 1.296 2268 D CA 0.001 54.084 54.000 0.139 0.000 0.931 2268 D CB 0.447 41.317 40.800 0.116 0.000 1.067 2268 D HN 0.562 nan 8.370 nan 0.000 0.503 2269 L N 2.932 124.250 121.223 0.159 0.000 2.549 2269 L HA -0.136 4.217 4.340 0.020 0.000 0.229 2269 L C 2.239 179.232 176.870 0.204 0.000 1.158 2269 L CA 0.671 55.631 54.840 0.200 0.000 0.842 2269 L CB -0.259 41.889 42.059 0.148 0.000 0.952 2269 L HN 0.369 nan 8.230 nan 0.000 0.452 2270 S N -1.780 113.993 115.700 0.122 0.000 2.528 2270 S HA 0.066 4.548 4.470 0.020 0.000 0.219 2270 S C 0.694 175.330 174.600 0.060 0.000 0.985 2270 S CA -0.145 58.096 58.200 0.069 0.000 0.914 2270 S CB 0.053 63.279 63.200 0.043 0.000 0.776 2270 S HN 0.279 nan 8.310 nan 0.000 0.526 2271 K N 1.795 122.253 120.400 0.096 0.000 2.259 2271 K HA 0.579 4.911 4.320 0.020 0.000 0.249 2271 K C -3.072 173.587 176.600 0.098 0.000 0.942 2271 K CA -2.530 53.801 56.287 0.074 0.000 0.816 2271 K CB 1.506 34.051 32.500 0.075 0.000 1.155 2271 K HN 0.021 nan 8.250 nan 0.000 0.428 2272 P HA 0.080 nan 4.420 nan 0.000 0.274 2272 P C 0.695 178.035 177.300 0.066 0.000 1.256 2272 P CA -0.536 62.584 63.100 0.034 0.000 0.795 2272 P CB 0.446 32.143 31.700 -0.005 0.000 1.038 2273 I N 0.559 121.165 120.570 0.059 0.000 2.127 2273 I HA -0.172 4.010 4.170 0.020 0.000 0.241 2273 I C 2.383 178.518 176.117 0.031 0.000 1.075 2273 I CA 2.146 63.482 61.300 0.060 0.000 1.334 2273 I CB -2.404 35.645 38.000 0.083 0.000 1.040 2273 I HN 0.505 nan 8.210 nan 0.000 0.405 2274 G N 0.376 109.150 108.800 -0.043 0.000 2.499 2274 G HA2 -0.160 3.813 3.960 0.020 0.000 0.221 2274 G HA3 -0.160 3.813 3.960 0.020 0.000 0.221 2274 G C 1.578 176.668 174.900 0.317 0.000 1.109 2274 G CA 0.924 46.140 45.100 0.194 0.000 0.749 2274 G HN 0.538 nan 8.290 nan 0.000 0.568 2275 A N -0.359 122.559 122.820 0.163 0.000 2.308 2275 A HA 0.495 4.827 4.320 0.020 0.000 0.217 2275 A C 2.175 179.818 177.584 0.099 0.000 1.216 2275 A CA -0.026 52.086 52.037 0.125 0.000 0.864 2275 A CB -0.003 19.033 19.000 0.061 0.000 0.902 2275 A HN 0.321 nan 8.150 nan 0.000 0.499 2276 L N -0.238 121.041 121.223 0.093 0.000 2.023 2276 L HA -0.048 4.305 4.340 0.020 0.000 0.205 2276 L C 1.128 178.034 176.870 0.059 0.000 1.073 2276 L CA 0.677 55.565 54.840 0.079 0.000 0.745 2276 L CB -0.516 41.589 42.059 0.078 0.000 0.900 2276 L HN 0.402 nan 8.230 nan 0.000 0.435 2277 N N 1.303 120.025 118.700 0.037 0.000 2.405 2277 N HA 0.034 4.786 4.740 0.020 0.000 0.260 2277 N C -1.636 173.896 175.510 0.036 0.000 1.152 2277 N CA -1.805 51.256 53.050 0.018 0.000 0.948 2277 N CB 1.191 39.665 38.487 -0.020 0.000 1.111 2277 N HN -0.031 nan 8.380 nan 0.000 0.485 2278 P HA -0.203 nan 4.420 nan 0.000 0.215 2278 P C 1.107 178.417 177.300 0.016 0.000 1.153 2278 P CA 1.279 64.396 63.100 0.029 0.000 0.853 2278 P CB 0.532 32.247 31.700 0.025 0.000 0.788 2279 K N 0.051 120.451 120.400 0.001 0.000 2.002 2279 K HA -0.171 4.161 4.320 0.020 0.000 0.209 2279 K C 2.598 179.178 176.600 -0.033 0.000 1.048 2279 K CA 1.370 57.648 56.287 -0.016 0.000 0.930 2279 K CB -0.261 32.222 32.500 -0.029 0.000 0.714 2279 K HN -0.096 nan 8.250 nan 0.000 0.438 2280 R N 0.139 120.607 120.500 -0.053 0.000 2.096 2280 R HA -0.092 4.261 4.340 0.020 0.000 0.235 2280 R C 2.026 178.249 176.300 -0.127 0.000 1.127 2280 R CA 1.302 57.323 56.100 -0.132 0.000 0.968 2280 R CB -0.239 29.996 30.300 -0.107 0.000 0.861 2280 R HN 0.230 nan 8.270 nan 0.000 0.440 2281 A N 0.488 123.333 122.820 0.042 0.000 2.070 2281 A HA -0.074 4.258 4.320 0.020 0.000 0.220 2281 A C 2.227 179.849 177.584 0.064 0.000 1.159 2281 A CA 1.508 53.628 52.037 0.138 0.000 0.656 2281 A CB -0.519 18.548 19.000 0.112 0.000 0.800 2281 A HN 0.543 nan 8.150 nan 0.000 0.453 2282 A N -1.126 121.711 122.820 0.028 0.000 1.929 2282 A HA 0.082 4.414 4.320 0.020 0.000 0.216 2282 A C 1.937 179.546 177.584 0.043 0.000 1.176 2282 A CA 1.351 53.407 52.037 0.031 0.000 0.628 2282 A CB -0.603 18.415 19.000 0.030 0.000 0.816 2282 A HN 0.644 nan 8.150 nan 0.000 0.444 2283 F N 0.100 119.954 119.950 -0.159 0.000 2.075 2283 F HA -0.127 4.412 4.527 0.020 0.000 0.297 2283 F C 1.940 177.678 175.800 -0.104 0.000 1.113 2283 F CA 1.431 59.315 58.000 -0.194 0.000 1.218 2283 F CB -0.705 38.073 39.000 -0.370 0.000 0.984 2283 F HN 0.249 nan 8.300 nan 0.000 0.472 2284 F N 0.432 120.295 119.950 -0.145 0.000 2.126 2284 F HA -0.222 4.317 4.527 0.021 0.000 0.299 2284 F C 2.654 178.350 175.800 -0.174 0.000 1.096 2284 F CA 0.870 58.700 58.000 -0.284 0.000 1.255 2284 F CB -1.047 37.828 39.000 -0.208 0.000 0.997 2284 F HN 0.118 nan 8.300 nan 0.000 0.479 2285 A N -0.011 122.848 122.820 0.066 0.000 1.908 2285 A HA -0.220 4.113 4.320 0.020 0.000 0.218 2285 A C 2.069 179.688 177.584 0.059 0.000 1.181 2285 A CA 1.923 53.995 52.037 0.059 0.000 0.627 2285 A CB -0.725 18.281 19.000 0.009 0.000 0.818 2285 A HN 0.424 nan 8.150 nan 0.000 0.445 2286 E N -1.037 119.150 120.200 -0.022 0.000 2.046 2286 E HA -0.160 4.202 4.350 0.020 0.000 0.190 2286 E C 2.371 178.917 176.600 -0.091 0.000 0.982 2286 E CA 0.566 56.946 56.400 -0.035 0.000 0.800 2286 E CB -0.222 29.463 29.700 -0.026 0.000 0.756 2286 E HN 0.457 nan 8.360 nan 0.000 0.449 2287 R N 0.422 120.765 120.500 -0.262 0.000 2.113 2287 R HA -0.234 4.119 4.340 0.020 0.000 0.244 2287 R C 2.233 178.412 176.300 -0.202 0.000 1.142 2287 R CA 1.724 57.636 56.100 -0.313 0.000 0.953 2287 R CB -0.604 29.350 30.300 -0.576 0.000 0.860 2287 R HN 0.273 nan 8.270 nan 0.000 0.438 2288 Y N 1.244 121.371 120.300 -0.288 0.000 2.114 2288 Y HA -0.255 4.307 4.550 0.020 0.000 0.284 2288 Y C 2.468 178.281 175.900 -0.144 0.000 1.143 2288 Y CA 2.344 60.254 58.100 -0.316 0.000 1.135 2288 Y CB -0.281 37.984 38.460 -0.326 0.000 0.980 2288 Y HN 0.243 nan 8.280 nan 0.000 0.499 2289 E N -0.360 119.908 120.200 0.114 0.000 2.070 2289 E HA -0.225 4.137 4.350 0.020 0.000 0.197 2289 E C 1.707 178.297 176.600 -0.016 0.000 1.004 2289 E CA 1.803 58.248 56.400 0.075 0.000 0.805 2289 E CB -0.265 29.482 29.700 0.079 0.000 0.744 2289 E HN 0.502 nan 8.360 nan 0.000 0.451 2290 S N -0.401 115.285 115.700 -0.024 0.000 2.614 2290 S HA 0.013 4.496 4.470 0.020 0.000 0.230 2290 S C -0.012 174.566 174.600 -0.037 0.000 0.952 2290 S CA -0.776 57.404 58.200 -0.034 0.000 0.949 2290 S CB -0.158 63.026 63.200 -0.027 0.000 0.786 2290 S HN 0.340 nan 8.310 nan 0.000 0.478 2291 W N 4.528 125.678 121.300 -0.249 0.000 2.387 2291 W HA 0.263 4.936 4.660 0.021 0.000 0.310 2291 W C -0.686 175.714 176.519 -0.198 0.000 1.181 2291 W CA -0.572 56.624 57.345 -0.249 0.000 1.333 2291 W CB 0.464 29.687 29.460 -0.395 0.000 1.286 2291 W HN 0.446 nan 8.180 nan 0.000 0.455 2292 E N 3.656 123.531 120.200 -0.542 0.000 2.104 2292 E HA -0.023 4.339 4.350 0.020 0.000 0.278 2292 E C 0.030 176.335 176.600 -0.493 0.000 1.127 2292 E CA -0.245 55.912 56.400 -0.404 0.000 0.897 2292 E CB 0.370 29.869 29.700 -0.335 0.000 1.043 2292 E HN 0.296 nan 8.360 nan 0.000 0.410 2293 D N 4.560 124.863 120.400 -0.162 0.000 2.639 2293 D HA 0.016 4.668 4.640 0.020 0.000 0.233 2293 D C -0.219 176.056 176.300 -0.041 0.000 1.161 2293 D CA -0.431 53.578 54.000 0.014 0.000 1.003 2293 D CB 0.441 41.337 40.800 0.159 0.000 1.034 2293 D HN 0.359 nan 8.370 nan 0.000 0.514 2294 D N 0.760 121.109 120.400 -0.085 0.000 2.097 2294 D HA -0.147 4.505 4.640 0.020 0.000 0.197 2294 D C 0.940 177.208 176.300 -0.053 0.000 0.984 2294 D CA 1.374 55.331 54.000 -0.070 0.000 0.826 2294 D CB 0.464 41.215 40.800 -0.080 0.000 0.973 2294 D HN 0.375 nan 8.370 nan 0.000 0.460 2295 Q N -0.678 119.100 119.800 -0.038 0.000 2.210 2295 Q HA 0.180 4.532 4.340 0.020 0.000 0.252 2295 Q C -0.322 175.602 176.000 -0.126 0.000 0.811 2295 Q CA 0.079 55.846 55.803 -0.060 0.000 0.953 2295 Q CB 2.148 30.870 28.738 -0.027 0.000 1.136 2295 Q HN -0.065 nan 8.270 nan 0.000 0.491 2296 V N 2.774 122.687 119.914 -0.001 0.000 2.378 2296 V HA 0.416 4.548 4.120 0.020 0.000 0.288 2296 V C -2.407 173.741 176.094 0.090 0.000 1.016 2296 V CA -2.296 59.969 62.300 -0.058 0.000 0.840 2296 V CB 1.533 33.550 31.823 0.324 0.000 0.994 2296 V HN -0.027 nan 8.190 nan 0.000 0.431 2297 P HA 0.086 nan 4.420 nan 0.000 0.267 2297 P C -0.175 177.041 177.300 -0.139 0.000 1.201 2297 P CA -0.052 62.967 63.100 -0.135 0.000 0.775 2297 P CB 0.530 32.115 31.700 -0.192 0.000 0.854 2298 K N 1.772 122.030 120.400 -0.237 0.000 2.230 2298 K HA 0.432 4.765 4.320 0.020 0.000 0.253 2298 K C 0.015 176.355 176.600 -0.434 0.000 1.008 2298 K CA 0.410 56.308 56.287 -0.648 0.000 0.910 2298 K CB 0.038 31.819 32.500 -1.199 0.000 0.994 2298 K HN 0.500 nan 8.250 nan 0.000 0.495 2299 F N -2.958 116.620 119.950 -0.619 0.000 2.744 2299 F HA 0.284 4.825 4.527 0.023 0.000 0.311 2299 F C -0.036 175.583 175.800 -0.302 0.000 1.144 2299 F CA -0.907 56.914 58.000 -0.299 0.000 0.938 2299 F CB 0.814 39.656 39.000 -0.263 0.000 1.292 2299 F HN 0.524 nan 8.300 nan 0.000 0.444 2300 H N -0.372 118.566 119.070 -0.219 0.000 2.476 2300 H HA 0.299 4.867 4.556 0.020 0.000 0.292 2300 H C -1.006 173.733 175.328 -0.982 0.000 1.019 2300 H CA 0.872 56.453 56.048 -0.779 0.000 1.330 2300 H CB 0.315 29.287 29.762 -1.317 0.000 1.451 2300 H HN 0.500 nan 8.280 nan 0.000 0.535 2301 Y N -0.789 119.501 120.300 -0.017 0.000 2.376 2301 Y HA 0.414 4.976 4.550 0.020 0.000 0.340 2301 Y C 1.001 177.041 175.900 0.233 0.000 0.965 2301 Y CA -0.947 57.133 58.100 -0.032 0.000 1.078 2301 Y CB 1.844 40.081 38.460 -0.372 0.000 1.193 2301 Y HN 0.051 nan 8.280 nan 0.000 0.452 2302 G N 1.072 110.087 108.800 0.359 0.000 3.042 2302 G HA2 0.136 4.108 3.960 0.020 0.000 0.212 2302 G HA3 0.136 4.108 3.960 0.020 0.000 0.212 2302 G C 0.116 175.075 174.900 0.098 0.000 1.166 2302 G CA 0.185 45.312 45.100 0.045 0.000 0.767 2302 G HN 0.522 nan 8.290 nan 0.000 0.546 2303 T N -0.446 114.281 114.554 0.290 0.000 2.932 2303 T HA 0.470 4.832 4.350 0.020 0.000 0.289 2303 T C -1.119 173.855 174.700 0.457 0.000 1.039 2303 T CA -0.489 61.811 62.100 0.333 0.000 1.024 2303 T CB 2.263 71.337 68.868 0.343 0.000 1.090 2303 T HN 0.160 nan 8.240 nan 0.000 0.496 2304 H N 0.418 119.634 119.070 0.243 0.000 2.693 2304 H HA 0.294 4.863 4.556 0.022 0.000 0.348 2304 H C -0.064 175.365 175.328 0.168 0.000 1.222 2304 H CA -0.589 55.497 56.048 0.064 0.000 1.270 2304 H CB 1.436 31.025 29.762 -0.290 0.000 1.798 2304 H HN 0.802 nan 8.280 nan 0.000 0.592 2305 Y N -0.255 119.943 120.300 -0.170 0.000 2.466 2305 Y HA 0.312 4.875 4.550 0.022 0.000 0.272 2305 Y C 0.357 176.454 175.900 0.329 0.000 1.169 2305 Y CA -0.416 57.740 58.100 0.093 0.000 1.285 2305 Y CB 0.245 38.631 38.460 -0.123 0.000 1.078 2305 Y HN 0.140 nan 8.280 nan 0.000 0.523 2306 S N 0.147 116.009 115.700 0.271 0.000 2.677 2306 S HA 0.686 5.168 4.470 0.020 0.000 0.283 2306 S C -1.008 173.530 174.600 -0.104 0.000 1.159 2306 S CA -0.237 58.116 58.200 0.256 0.000 1.001 2306 S CB 1.602 64.921 63.200 0.199 0.000 1.032 2306 S HN 0.268 nan 8.310 nan 0.000 0.487 2307 T N 2.974 117.324 114.554 -0.340 0.000 2.894 2307 T HA 0.631 4.993 4.350 0.020 0.000 0.309 2307 T C 1.057 175.503 174.700 -0.424 0.000 1.208 2307 T CA 0.117 61.810 62.100 -0.679 0.000 1.016 2307 T CB 1.511 69.440 68.868 -1.564 0.000 1.192 2307 T HN 0.760 nan 8.240 nan 0.000 0.491 2308 A N 1.548 124.167 122.820 -0.336 0.000 1.877 2308 A HA -0.016 4.316 4.320 0.020 0.000 0.216 2308 A C 2.403 179.889 177.584 -0.164 0.000 1.186 2308 A CA 2.441 54.361 52.037 -0.195 0.000 0.620 2308 A CB -0.987 17.918 19.000 -0.159 0.000 0.822 2308 A HN 0.729 nan 8.150 nan 0.000 0.443 2309 S N -0.543 115.013 115.700 -0.240 0.000 2.380 2309 S HA -0.188 4.294 4.470 0.020 0.000 0.229 2309 S C 1.643 176.265 174.600 0.037 0.000 1.043 2309 S CA 1.681 59.822 58.200 -0.099 0.000 1.038 2309 S CB -0.675 62.424 63.200 -0.168 0.000 0.872 2309 S HN 0.629 nan 8.310 nan 0.000 0.456 2310 F N 0.805 120.658 119.950 -0.163 0.000 2.102 2310 F HA -0.128 4.414 4.527 0.025 0.000 0.298 2310 F C 2.484 178.123 175.800 -0.268 0.000 1.105 2310 F CA 0.473 58.287 58.000 -0.309 0.000 1.239 2310 F CB -0.596 38.273 39.000 -0.218 0.000 0.991 2310 F HN 0.051 nan 8.300 nan 0.000 0.474 2311 V N 1.028 120.973 119.914 0.052 0.000 2.287 2311 V HA -0.317 3.815 4.120 0.020 0.000 0.248 2311 V C 2.322 178.355 176.094 -0.102 0.000 1.053 2311 V CA 1.594 63.831 62.300 -0.105 0.000 1.027 2311 V CB -0.693 30.845 31.823 -0.475 0.000 0.646 2311 V HN 0.338 nan 8.190 nan 0.000 0.447 2312 L N -0.116 121.110 121.223 0.006 0.000 2.046 2312 L HA -0.167 4.186 4.340 0.020 0.000 0.208 2312 L C 2.781 179.652 176.870 0.002 0.000 1.077 2312 L CA 1.705 56.622 54.840 0.130 0.000 0.747 2312 L CB -0.973 41.288 42.059 0.337 0.000 0.896 2312 L HN 0.392 nan 8.230 nan 0.000 0.432 2313 A N -0.402 122.381 122.820 -0.062 0.000 1.877 2313 A HA -0.238 4.094 4.320 0.020 0.000 0.216 2313 A C 1.995 179.488 177.584 -0.153 0.000 1.186 2313 A CA 1.480 53.391 52.037 -0.212 0.000 0.620 2313 A CB -0.997 17.856 19.000 -0.245 0.000 0.822 2313 A HN 0.500 nan 8.150 nan 0.000 0.443 2314 W N -0.092 121.064 121.300 -0.239 0.000 2.333 2314 W HA -0.081 4.590 4.660 0.018 0.000 0.316 2314 W C 1.314 177.683 176.519 -0.250 0.000 1.215 2314 W CA 0.709 57.830 57.345 -0.373 0.000 1.278 2314 W CB -0.208 29.069 29.460 -0.305 0.000 1.154 2314 W HN 0.156 nan 8.180 nan 0.000 0.486 2315 L N 0.996 122.200 121.223 -0.032 0.000 2.783 2315 L HA 0.064 4.417 4.340 0.020 0.000 0.236 2315 L C 1.752 178.615 176.870 -0.011 0.000 1.225 2315 L CA -0.555 54.188 54.840 -0.162 0.000 1.026 2315 L CB -0.616 41.102 42.059 -0.568 0.000 1.314 2315 L HN 0.053 nan 8.230 nan 0.000 0.489 2316 L N 0.533 121.763 121.223 0.013 0.000 2.051 2316 L HA -0.228 4.124 4.340 0.020 0.000 0.214 2316 L C 2.511 179.486 176.870 0.175 0.000 1.076 2316 L CA 1.937 56.790 54.840 0.021 0.000 0.758 2316 L CB -0.275 41.702 42.059 -0.137 0.000 0.890 2316 L HN 0.252 nan 8.230 nan 0.000 0.433 2317 R N -0.945 119.623 120.500 0.113 0.000 2.316 2317 R HA 0.165 4.517 4.340 0.020 0.000 0.202 2317 R C -0.108 176.274 176.300 0.137 0.000 1.029 2317 R CA 0.358 56.526 56.100 0.114 0.000 1.018 2317 R CB -0.154 30.115 30.300 -0.052 0.000 0.888 2317 R HN 0.353 nan 8.270 nan 0.000 0.471 2318 I N 0.840 121.518 120.570 0.180 0.000 2.433 2318 I HA 0.169 4.351 4.170 0.020 0.000 0.292 2318 I C 0.049 176.284 176.117 0.196 0.000 1.001 2318 I CA -0.966 60.446 61.300 0.186 0.000 1.119 2318 I CB 1.834 39.945 38.000 0.186 0.000 1.289 2318 I HN -0.097 nan 8.210 nan 0.000 0.438 2319 E N 7.164 127.411 120.200 0.078 0.000 2.390 2319 E HA 0.131 4.493 4.350 0.020 0.000 0.261 2319 E C -1.609 174.729 176.600 -0.437 0.000 1.076 2319 E CA -1.462 54.831 56.400 -0.178 0.000 0.905 2319 E CB 0.879 30.534 29.700 -0.075 0.000 0.984 2319 E HN 0.393 nan 8.360 nan 0.000 0.427 2320 P HA -0.002 nan 4.420 nan 0.000 0.245 2320 P C 1.017 177.478 177.300 -1.399 0.000 1.206 2320 P CA 0.495 62.671 63.100 -1.541 0.000 0.781 2320 P CB 0.061 30.548 31.700 -2.022 0.000 0.994 2321 F N 1.023 120.564 119.950 -0.682 0.000 2.192 2321 F HA -0.173 4.367 4.527 0.022 0.000 0.301 2321 F C 2.409 178.152 175.800 -0.095 0.000 1.079 2321 F CA 1.628 59.432 58.000 -0.327 0.000 1.303 2321 F CB -1.841 37.110 39.000 -0.082 0.000 1.024 2321 F HN -0.065 nan 8.300 nan 0.000 0.494 2322 T N -0.954 113.646 114.554 0.076 0.000 2.708 2322 T HA -0.181 4.181 4.350 0.020 0.000 0.266 2322 T C 1.989 176.739 174.700 0.084 0.000 1.037 2322 T CA 1.974 64.169 62.100 0.159 0.000 1.146 2322 T CB -0.643 68.302 68.868 0.128 0.000 0.865 2322 T HN 0.283 nan 8.240 nan 0.000 0.435 2323 T N 1.250 115.749 114.554 -0.092 0.000 2.674 2323 T HA -0.095 4.267 4.350 0.020 0.000 0.265 2323 T C 1.689 176.456 174.700 0.111 0.000 1.039 2323 T CA 1.295 63.374 62.100 -0.035 0.000 1.150 2323 T CB -0.739 68.086 68.868 -0.071 0.000 0.864 2323 T HN 0.544 nan 8.240 nan 0.000 0.427 2324 Y N -0.077 120.230 120.300 0.012 0.000 2.151 2324 Y HA -0.214 4.368 4.550 0.053 0.000 0.284 2324 Y C 2.351 178.297 175.900 0.076 0.000 1.166 2324 Y CA 0.815 58.940 58.100 0.042 0.000 1.163 2324 Y CB -0.422 38.082 38.460 0.075 0.000 0.974 2324 Y HN 0.144 nan 8.280 nan 0.000 0.511 2325 F N 0.426 120.487 119.950 0.186 0.000 2.084 2325 F HA -0.220 4.322 4.527 0.024 0.000 0.296 2325 F C 1.918 177.747 175.800 0.048 0.000 1.111 2325 F CA 1.174 59.248 58.000 0.123 0.000 1.224 2325 F CB -0.636 38.456 39.000 0.154 0.000 0.991 2325 F HN -0.149 nan 8.300 nan 0.000 0.471 2326 L N 1.096 122.306 121.223 -0.022 0.000 2.013 2326 L HA -0.293 4.059 4.340 0.020 0.000 0.212 2326 L C 2.443 179.182 176.870 -0.218 0.000 1.073 2326 L CA 1.977 56.690 54.840 -0.212 0.000 0.753 2326 L CB -1.825 40.108 42.059 -0.211 0.000 0.890 2326 L HN 0.351 nan 8.230 nan 0.000 0.432 2327 N N 0.333 118.968 118.700 -0.108 0.000 2.036 2327 N HA -0.225 4.527 4.740 0.020 0.000 0.195 2327 N C 1.927 177.362 175.510 -0.125 0.000 1.037 2327 N CA 1.831 54.833 53.050 -0.081 0.000 0.855 2327 N CB -0.142 38.344 38.487 -0.001 0.000 1.033 2327 N HN 0.356 nan 8.380 nan 0.000 0.423 2328 L N 0.342 121.472 121.223 -0.155 0.000 2.141 2328 L HA -0.114 4.238 4.340 0.020 0.000 0.209 2328 L C 2.680 179.406 176.870 -0.241 0.000 1.094 2328 L CA 0.848 55.584 54.840 -0.175 0.000 0.763 2328 L CB -0.359 41.606 42.059 -0.157 0.000 0.908 2328 L HN 0.256 nan 8.230 nan 0.000 0.437 2329 Q N 0.125 119.689 119.800 -0.394 0.000 2.123 2329 Q HA -0.071 4.281 4.340 0.020 0.000 0.199 2329 Q C 1.394 177.269 176.000 -0.207 0.000 0.966 2329 Q CA 1.689 57.265 55.803 -0.378 0.000 0.845 2329 Q CB 0.216 28.583 28.738 -0.620 0.000 0.907 2329 Q HN 0.439 nan 8.270 nan 0.000 0.439 2330 G N -3.664 105.025 108.800 -0.186 0.000 2.507 2330 G HA2 0.124 4.096 3.960 0.020 0.000 0.205 2330 G HA3 0.124 4.096 3.960 0.020 0.000 0.205 2330 G C 0.655 175.483 174.900 -0.119 0.000 0.996 2330 G CA 0.096 45.122 45.100 -0.122 0.000 0.776 2330 G HN 0.945 nan 8.290 nan 0.000 0.532 2331 G N -0.600 108.105 108.800 -0.159 0.000 2.339 2331 G HA2 -0.039 3.933 3.960 0.020 0.000 0.209 2331 G HA3 -0.039 3.933 3.960 0.020 0.000 0.209 2331 G C 0.252 175.021 174.900 -0.218 0.000 1.015 2331 G CA 0.757 45.761 45.100 -0.161 0.000 0.635 2331 G HN 1.042 nan 8.290 nan 0.000 0.499 2332 K N 0.282 120.571 120.400 -0.184 0.000 2.238 2332 K HA 0.773 5.105 4.320 0.020 0.000 0.239 2332 K C 0.199 176.725 176.600 -0.122 0.000 0.987 2332 K CA -1.017 55.155 56.287 -0.193 0.000 0.857 2332 K CB 0.477 32.943 32.500 -0.057 0.000 1.154 2332 K HN -0.032 nan 8.250 nan 0.000 0.439 2333 F N 0.567 120.587 119.950 0.116 0.000 2.514 2333 F HA 0.081 4.622 4.527 0.023 0.000 0.309 2333 F C 1.037 176.990 175.800 0.256 0.000 1.279 2333 F CA 0.241 58.399 58.000 0.262 0.000 1.304 2333 F CB 0.140 39.249 39.000 0.181 0.000 1.223 2333 F HN 0.558 nan 8.300 nan 0.000 0.563 2334 D N -1.779 118.987 120.400 0.610 0.000 2.340 2334 D HA 0.115 4.767 4.640 0.020 0.000 0.251 2334 D C -0.859 175.621 176.300 0.299 0.000 1.080 2334 D CA -0.440 53.803 54.000 0.405 0.000 0.971 2334 D CB 0.454 41.527 40.800 0.454 0.000 1.137 2334 D HN 0.409 nan 8.370 nan 0.000 0.475 2335 H N 1.481 120.639 119.070 0.146 0.000 3.157 2335 H HA 0.151 4.718 4.556 0.019 0.000 0.299 2335 H C 0.994 176.367 175.328 0.075 0.000 0.961 2335 H CA 0.389 56.495 56.048 0.097 0.000 1.428 2335 H CB 0.537 30.342 29.762 0.072 0.000 1.459 2335 H HN 0.423 nan 8.280 nan 0.000 0.566 2336 A N 4.303 126.990 122.820 -0.221 0.000 2.054 2336 A HA -0.247 4.085 4.320 0.020 0.000 0.223 2336 A C 1.898 179.303 177.584 -0.299 0.000 1.169 2336 A CA 2.096 53.989 52.037 -0.240 0.000 0.655 2336 A CB -0.231 18.654 19.000 -0.192 0.000 0.812 2336 A HN 0.902 nan 8.150 nan 0.000 0.462 2337 D N -1.747 118.336 120.400 -0.529 0.000 2.340 2337 D HA 0.055 4.707 4.640 0.020 0.000 0.220 2337 D C 1.626 177.870 176.300 -0.093 0.000 1.039 2337 D CA 0.379 54.217 54.000 -0.270 0.000 0.866 2337 D CB 0.098 40.751 40.800 -0.246 0.000 0.913 2337 D HN 0.541 nan 8.370 nan 0.000 0.523 2338 R N -0.152 120.316 120.500 -0.054 0.000 2.453 2338 R HA 0.052 4.404 4.340 0.020 0.000 0.233 2338 R C 0.801 177.114 176.300 0.022 0.000 0.895 2338 R CA 0.103 56.221 56.100 0.030 0.000 1.028 2338 R CB 0.790 31.153 30.300 0.105 0.000 1.255 2338 R HN 0.024 nan 8.270 nan 0.000 0.571 2339 T N -0.856 113.696 114.554 -0.004 0.000 2.869 2339 T HA 0.135 4.497 4.350 0.020 0.000 0.295 2339 T C 0.043 174.755 174.700 0.020 0.000 0.987 2339 T CA -0.610 61.477 62.100 -0.021 0.000 1.109 2339 T CB 0.717 69.539 68.868 -0.076 0.000 0.932 2339 T HN 0.006 nan 8.240 nan 0.000 0.518 2340 F N 4.220 124.085 119.950 -0.142 0.000 2.549 2340 F HA 0.230 4.769 4.527 0.020 0.000 0.400 2340 F C 1.172 176.935 175.800 -0.062 0.000 1.011 2340 F CA 0.300 58.250 58.000 -0.083 0.000 1.148 2340 F CB -0.042 38.926 39.000 -0.053 0.000 0.993 2340 F HN 0.848 nan 8.300 nan 0.000 0.540 2341 S N 2.185 117.749 115.700 -0.226 0.000 2.661 2341 S HA 0.246 4.728 4.470 0.020 0.000 0.275 2341 S C 0.108 174.501 174.600 -0.345 0.000 1.075 2341 S CA 0.248 58.243 58.200 -0.343 0.000 1.251 2341 S CB -0.120 62.968 63.200 -0.186 0.000 1.167 2341 S HN 0.675 nan 8.310 nan 0.000 0.648 2342 S N 0.010 115.578 115.700 -0.219 0.000 2.572 2342 S HA 0.600 5.082 4.470 0.020 0.000 0.274 2342 S C 0.424 175.085 174.600 0.102 0.000 1.150 2342 S CA -0.746 57.383 58.200 -0.118 0.000 0.944 2342 S CB 0.920 64.084 63.200 -0.060 0.000 1.071 2342 S HN 0.298 nan 8.310 nan 0.000 0.479 2343 I N 3.142 123.724 120.570 0.019 0.000 2.179 2343 I HA -0.096 4.086 4.170 0.020 0.000 0.242 2343 I C 2.663 178.800 176.117 0.033 0.000 1.088 2343 I CA 1.366 62.747 61.300 0.134 0.000 1.357 2343 I CB -0.371 37.483 38.000 -0.243 0.000 1.051 2343 I HN 0.713 nan 8.210 nan 0.000 0.409 2344 S N 0.454 116.132 115.700 -0.036 0.000 2.359 2344 S HA -0.243 4.239 4.470 0.020 0.000 0.224 2344 S C 2.201 176.894 174.600 0.155 0.000 1.035 2344 S CA 1.670 59.921 58.200 0.084 0.000 1.018 2344 S CB -0.167 63.090 63.200 0.096 0.000 0.876 2344 S HN 0.246 nan 8.310 nan 0.000 0.448 2345 R N 0.681 121.249 120.500 0.113 0.000 2.073 2345 R HA 0.098 4.451 4.340 0.020 0.000 0.234 2345 R C 2.608 178.988 176.300 0.133 0.000 1.134 2345 R CA 1.428 57.588 56.100 0.100 0.000 0.952 2345 R CB -0.772 29.568 30.300 0.066 0.000 0.850 2345 R HN 0.472 nan 8.270 nan 0.000 0.433 2346 A N 0.592 123.563 122.820 0.251 0.000 1.908 2346 A HA -0.235 4.097 4.320 0.020 0.000 0.218 2346 A C 2.005 179.749 177.584 0.267 0.000 1.181 2346 A CA 1.524 53.748 52.037 0.313 0.000 0.627 2346 A CB -1.088 18.271 19.000 0.598 0.000 0.818 2346 A HN 0.706 nan 8.150 nan 0.000 0.445 2347 W N 0.743 122.063 121.300 0.033 0.000 2.378 2347 W HA -0.189 4.483 4.660 0.019 0.000 0.313 2347 W C 2.324 178.726 176.519 -0.194 0.000 1.197 2347 W CA 1.803 58.947 57.345 -0.335 0.000 1.304 2347 W CB -0.428 28.799 29.460 -0.389 0.000 1.148 2347 W HN 0.393 nan 8.180 nan 0.000 0.494 2348 R N 0.860 121.247 120.500 -0.188 0.000 2.103 2348 R HA -0.225 4.127 4.340 0.020 0.000 0.242 2348 R C 1.875 178.012 176.300 -0.271 0.000 1.142 2348 R CA 2.178 58.129 56.100 -0.249 0.000 0.960 2348 R CB -0.657 29.634 30.300 -0.015 0.000 0.858 2348 R HN 0.145 nan 8.270 nan 0.000 0.439 2349 N N 0.237 118.839 118.700 -0.163 0.000 2.188 2349 N HA -0.134 4.618 4.740 0.020 0.000 0.184 2349 N C 1.702 177.109 175.510 -0.172 0.000 1.018 2349 N CA 1.687 54.663 53.050 -0.124 0.000 0.858 2349 N CB -0.251 38.201 38.487 -0.058 0.000 0.989 2349 N HN 0.356 nan 8.380 nan 0.000 0.426 2350 S N -0.139 115.403 115.700 -0.263 0.000 2.555 2350 S HA 0.027 4.509 4.470 0.020 0.000 0.230 2350 S C 1.532 175.897 174.600 -0.391 0.000 0.978 2350 S CA 0.533 58.574 58.200 -0.265 0.000 0.934 2350 S CB 0.177 63.236 63.200 -0.235 0.000 0.766 2350 S HN 0.148 nan 8.310 nan 0.000 0.533 2351 Q N 0.596 120.092 119.800 -0.508 0.000 2.304 2351 Q HA 0.249 4.602 4.340 0.020 0.000 0.204 2351 Q C 2.157 178.037 176.000 -0.201 0.000 0.936 2351 Q CA 0.535 56.073 55.803 -0.440 0.000 0.878 2351 Q CB -0.077 28.301 28.738 -0.600 0.000 0.983 2351 Q HN 0.510 nan 8.270 nan 0.000 0.516 2352 R N 0.995 121.392 120.500 -0.172 0.000 2.048 2352 R HA 0.035 4.387 4.340 0.020 0.000 0.221 2352 R C 0.628 176.889 176.300 -0.065 0.000 1.174 2352 R CA 0.232 56.270 56.100 -0.104 0.000 0.971 2352 R CB -1.103 29.140 30.300 -0.094 0.000 0.863 2352 R HN 0.174 nan 8.270 nan 0.000 0.439 2353 D N 1.687 122.060 120.400 -0.045 0.000 2.520 2353 D HA -0.088 4.565 4.640 0.020 0.000 0.243 2353 D C 0.893 177.241 176.300 0.079 0.000 1.160 2353 D CA 0.614 54.614 54.000 -0.001 0.000 0.877 2353 D CB 0.913 41.717 40.800 0.006 0.000 1.150 2353 D HN 0.072 nan 8.370 nan 0.000 0.494 2354 T N 1.865 116.459 114.554 0.068 0.000 2.977 2354 T HA -0.109 4.253 4.350 0.020 0.000 0.271 2354 T C 1.227 176.175 174.700 0.414 0.000 1.105 2354 T CA 1.331 63.556 62.100 0.208 0.000 1.116 2354 T CB 0.081 68.952 68.868 0.004 0.000 0.878 2354 T HN 0.289 nan 8.240 nan 0.000 0.509 2355 S N 0.774 116.632 115.700 0.264 0.000 2.575 2355 S HA 0.241 4.723 4.470 0.020 0.000 0.237 2355 S C -0.312 174.423 174.600 0.224 0.000 0.975 2355 S CA -0.507 57.854 58.200 0.269 0.000 0.960 2355 S CB 0.316 63.638 63.200 0.204 0.000 0.822 2355 S HN 0.423 nan 8.310 nan 0.000 0.472 2356 D N 1.684 122.199 120.400 0.192 0.000 2.402 2356 D HA 0.361 5.013 4.640 0.020 0.000 0.252 2356 D C -0.378 175.978 176.300 0.095 0.000 1.294 2356 D CA -0.510 53.546 54.000 0.095 0.000 0.948 2356 D CB 0.572 41.374 40.800 0.003 0.000 1.202 2356 D HN 0.150 nan 8.370 nan 0.000 0.561 2357 I N 1.026 121.661 120.570 0.109 0.000 3.658 2357 I HA 0.314 4.496 4.170 0.020 0.000 0.328 2357 I C 0.422 176.629 176.117 0.151 0.000 1.567 2357 I CA -0.951 60.390 61.300 0.069 0.000 1.078 2357 I CB -0.166 37.765 38.000 -0.114 0.000 1.267 2357 I HN 0.094 nan 8.210 nan 0.000 0.495 2358 K N 1.917 122.399 120.400 0.137 0.000 2.469 2358 K HA 0.143 4.475 4.320 0.020 0.000 0.274 2358 K C -0.256 176.599 176.600 0.425 0.000 0.983 2358 K CA 0.221 56.620 56.287 0.185 0.000 0.974 2358 K CB 0.945 33.251 32.500 -0.323 0.000 0.913 2358 K HN 0.314 nan 8.250 nan 0.000 0.493 2359 E N 1.858 122.294 120.200 0.392 0.000 2.405 2359 E HA 0.230 4.592 4.350 0.020 0.000 0.249 2359 E C -0.108 176.469 176.600 -0.040 0.000 1.028 2359 E CA -0.834 55.738 56.400 0.286 0.000 0.897 2359 E CB 0.620 30.509 29.700 0.315 0.000 1.262 2359 E HN 0.374 nan 8.360 nan 0.000 0.442 2360 L N 0.440 121.452 121.223 -0.353 0.000 2.567 2360 L HA 0.342 4.694 4.340 0.020 0.000 0.238 2360 L C -0.007 176.751 176.870 -0.187 0.000 1.168 2360 L CA -0.221 54.229 54.840 -0.649 0.000 0.817 2360 L CB 0.242 41.771 42.059 -0.883 0.000 1.409 2360 L HN 0.393 nan 8.230 nan 0.000 0.502 2361 I N 0.093 120.457 120.570 -0.344 0.000 2.689 2361 I HA 0.396 4.578 4.170 0.020 0.000 0.299 2361 I C -1.769 174.301 176.117 -0.078 0.000 1.059 2361 I CA -1.985 59.294 61.300 -0.036 0.000 1.055 2361 I CB 2.002 39.955 38.000 -0.080 0.000 1.243 2361 I HN 0.403 nan 8.210 nan 0.000 0.425 2362 P HA -0.189 nan 4.420 nan 0.000 0.217 2362 P C 0.864 178.207 177.300 0.071 0.000 1.151 2362 P CA 1.318 64.097 63.100 -0.533 0.000 0.849 2362 P CB 0.272 31.761 31.700 -0.351 0.000 0.787 2363 E N -1.648 118.544 120.200 -0.014 0.000 2.219 2363 E HA -0.175 4.188 4.350 0.020 0.000 0.198 2363 E C 1.568 177.953 176.600 -0.359 0.000 0.998 2363 E CA 0.956 57.107 56.400 -0.415 0.000 0.818 2363 E CB -1.106 28.373 29.700 -0.369 0.000 0.741 2363 E HN 0.281 nan 8.360 nan 0.000 0.477 2364 F N -1.008 118.707 119.950 -0.393 0.000 2.333 2364 F HA -0.151 4.387 4.527 0.018 0.000 0.300 2364 F C 1.069 176.568 175.800 -0.502 0.000 1.083 2364 F CA 1.056 58.809 58.000 -0.411 0.000 1.395 2364 F CB -0.071 38.513 39.000 -0.694 0.000 1.056 2364 F HN 0.130 nan 8.300 nan 0.000 0.529 2365 Y N -2.466 117.911 120.300 0.128 0.000 2.485 2365 Y HA 0.040 4.601 4.550 0.020 0.000 0.260 2365 Y C 0.666 176.635 175.900 0.114 0.000 1.173 2365 Y CA -0.031 58.155 58.100 0.143 0.000 1.252 2365 Y CB -0.315 38.332 38.460 0.313 0.000 1.123 2365 Y HN 0.252 nan 8.280 nan 0.000 0.524 2366 Y N -3.895 116.434 120.300 0.047 0.000 2.886 2366 Y HA 0.337 4.898 4.550 0.019 0.000 0.306 2366 Y C -1.051 174.849 175.900 -0.000 0.000 0.938 2366 Y CA -1.096 56.990 58.100 -0.023 0.000 1.146 2366 Y CB -0.102 38.281 38.460 -0.129 0.000 1.439 2366 Y HN -0.105 nan 8.280 nan 0.000 0.584 2367 L N 5.505 126.367 121.223 -0.603 0.000 2.371 2367 L HA 0.616 4.969 4.340 0.020 0.000 0.262 2367 L C -1.919 174.844 176.870 -0.179 0.000 1.054 2367 L CA -2.273 52.294 54.840 -0.455 0.000 0.924 2367 L CB 1.115 42.740 42.059 -0.724 0.000 1.295 2367 L HN -0.112 nan 8.230 nan 0.000 0.441 2368 P HA -0.149 nan 4.420 nan 0.000 0.220 2368 P C 0.695 178.036 177.300 0.069 0.000 1.148 2368 P CA 1.064 64.246 63.100 0.137 0.000 0.803 2368 P CB 0.530 32.277 31.700 0.079 0.000 0.782 2369 E N 0.597 120.749 120.200 -0.079 0.000 2.209 2369 E HA -0.174 4.188 4.350 0.020 0.000 0.196 2369 E C 2.188 178.685 176.600 -0.173 0.000 0.993 2369 E CA 1.381 57.706 56.400 -0.126 0.000 0.819 2369 E CB -1.094 28.516 29.700 -0.150 0.000 0.745 2369 E HN 0.438 nan 8.360 nan 0.000 0.477 2370 M N -1.328 118.071 119.600 -0.335 0.000 2.460 2370 M HA -0.021 4.471 4.480 0.020 0.000 0.263 2370 M C 0.783 176.757 176.300 -0.543 0.000 1.071 2370 M CA 1.450 56.463 55.300 -0.478 0.000 1.096 2370 M CB -0.154 32.021 32.600 -0.708 0.000 1.408 2370 M HN -0.028 nan 8.290 nan 0.000 0.463 2371 F N 0.943 120.806 119.950 -0.146 0.000 2.732 2371 F HA 0.341 4.882 4.527 0.024 0.000 0.303 2371 F C 0.020 175.707 175.800 -0.187 0.000 1.110 2371 F CA -0.505 57.374 58.000 -0.200 0.000 1.355 2371 F CB 0.241 39.096 39.000 -0.242 0.000 1.081 2371 F HN -0.129 nan 8.300 nan 0.000 0.565 2372 V N 0.433 120.331 119.914 -0.026 0.000 2.487 2372 V HA 0.195 4.327 4.120 0.020 0.000 0.298 2372 V C -0.066 175.997 176.094 -0.052 0.000 1.028 2372 V CA -0.986 61.300 62.300 -0.025 0.000 0.860 2372 V CB 1.716 33.547 31.823 0.014 0.000 0.991 2372 V HN 0.036 nan 8.190 nan 0.000 0.427 2373 N N 3.037 121.686 118.700 -0.085 0.000 2.878 2373 N HA 0.049 4.802 4.740 0.020 0.000 0.282 2373 N C 0.946 176.361 175.510 -0.158 0.000 1.284 2373 N CA -0.207 52.740 53.050 -0.172 0.000 1.053 2373 N CB -0.500 37.882 38.487 -0.176 0.000 1.382 2373 N HN 0.629 nan 8.380 nan 0.000 0.529 2374 F N 0.847 120.659 119.950 -0.229 0.000 2.225 2374 F HA -0.151 4.387 4.527 0.019 0.000 0.302 2374 F C 1.294 176.963 175.800 -0.220 0.000 1.068 2374 F CA 1.345 59.237 58.000 -0.180 0.000 1.327 2374 F CB 0.066 38.987 39.000 -0.131 0.000 1.043 2374 F HN 0.316 nan 8.300 nan 0.000 0.506 2375 N N 0.924 119.394 118.700 -0.384 0.000 2.322 2375 N HA -0.055 4.697 4.740 0.020 0.000 0.194 2375 N C -0.415 174.862 175.510 -0.389 0.000 1.126 2375 N CA 0.528 53.296 53.050 -0.469 0.000 0.845 2375 N CB -0.545 37.594 38.487 -0.580 0.000 0.976 2375 N HN 0.291 nan 8.380 nan 0.000 0.475 2376 N N 0.766 119.263 118.700 -0.338 0.000 2.714 2376 N HA -0.232 4.520 4.740 0.020 0.000 0.253 2376 N C -0.709 174.830 175.510 0.049 0.000 1.024 2376 N CA 0.706 53.670 53.050 -0.143 0.000 0.726 2376 N CB -1.867 36.559 38.487 -0.103 0.000 0.908 2376 N HN 0.512 nan 8.380 nan 0.000 0.542 2377 Y N 0.086 120.383 120.300 -0.005 0.000 2.299 2377 Y HA -0.008 4.556 4.550 0.023 0.000 0.335 2377 Y C 2.038 177.934 175.900 -0.006 0.000 1.287 2377 Y CA -0.735 57.394 58.100 0.050 0.000 1.424 2377 Y CB 0.554 39.014 38.460 0.000 0.000 1.326 2377 Y HN 0.092 nan 8.280 nan 0.000 0.567 2378 N N 0.722 119.578 118.700 0.260 0.000 2.048 2378 N HA -0.173 4.579 4.740 0.020 0.000 0.193 2378 N C 0.849 176.348 175.510 -0.017 0.000 1.061 2378 N CA 2.194 55.324 53.050 0.134 0.000 0.849 2378 N CB -0.251 38.366 38.487 0.216 0.000 1.044 2378 N HN 0.794 nan 8.380 nan 0.000 0.429 2379 L N -2.931 118.203 121.223 -0.147 0.000 4.982 2379 L HA -0.257 4.096 4.340 0.020 0.000 0.402 2379 L C 1.045 177.859 176.870 -0.093 0.000 0.863 2379 L CA 0.423 55.087 54.840 -0.293 0.000 1.876 2379 L CB -2.335 39.539 42.059 -0.309 0.000 1.554 2379 L HN 0.630 nan 8.230 nan 0.000 0.603 2380 G N -0.849 107.945 108.800 -0.010 0.000 2.598 2380 G HA2 -0.145 3.827 3.960 0.020 0.000 0.244 2380 G HA3 -0.145 3.827 3.960 0.020 0.000 0.244 2380 G C -0.511 174.375 174.900 -0.024 0.000 1.302 2380 G CA -0.181 44.926 45.100 0.011 0.000 0.903 2380 G HN 0.554 nan 8.290 nan 0.000 0.575 2381 V N 0.507 120.411 119.914 -0.018 0.000 2.760 2381 V HA 0.618 4.750 4.120 0.020 0.000 0.309 2381 V C 0.642 176.705 176.094 -0.051 0.000 1.077 2381 V CA -0.505 61.776 62.300 -0.033 0.000 0.910 2381 V CB 1.846 33.663 31.823 -0.010 0.000 1.008 2381 V HN 0.825 nan 8.190 nan 0.000 0.424 2382 M N 1.827 121.383 119.600 -0.075 0.000 2.202 2382 M HA 0.256 4.749 4.480 0.020 0.000 0.316 2382 M C 0.960 177.241 176.300 -0.032 0.000 1.138 2382 M CA -0.307 54.936 55.300 -0.096 0.000 1.151 2382 M CB 0.365 32.908 32.600 -0.094 0.000 1.422 2382 M HN 0.628 nan 8.290 nan 0.000 0.471 2383 D N 1.093 121.489 120.400 -0.007 0.000 2.133 2383 D HA -0.171 4.481 4.640 0.020 0.000 0.195 2383 D C 1.180 177.487 176.300 0.011 0.000 0.997 2383 D CA 1.713 55.733 54.000 0.033 0.000 0.840 2383 D CB -0.310 40.525 40.800 0.058 0.000 0.947 2383 D HN 0.624 nan 8.370 nan 0.000 0.452 2384 D N -0.919 119.479 120.400 -0.004 0.000 2.271 2384 D HA 0.030 4.682 4.640 0.020 0.000 0.207 2384 D C 1.578 177.871 176.300 -0.011 0.000 0.983 2384 D CA 1.569 55.564 54.000 -0.009 0.000 0.878 2384 D CB -0.145 40.644 40.800 -0.018 0.000 0.920 2384 D HN 0.350 nan 8.370 nan 0.000 0.479 2385 G N -0.360 108.432 108.800 -0.013 0.000 2.176 2385 G HA2 -0.260 3.713 3.960 0.020 0.000 0.232 2385 G HA3 -0.260 3.713 3.960 0.020 0.000 0.232 2385 G C 0.465 175.350 174.900 -0.024 0.000 0.986 2385 G CA 0.311 45.404 45.100 -0.013 0.000 0.643 2385 G HN 0.463 nan 8.290 nan 0.000 0.522 2386 T N -0.639 113.894 114.554 -0.035 0.000 2.832 2386 T HA 0.616 4.978 4.350 0.020 0.000 0.296 2386 T C 0.560 175.228 174.700 -0.054 0.000 0.968 2386 T CA -0.330 61.743 62.100 -0.045 0.000 1.107 2386 T CB 2.498 71.334 68.868 -0.054 0.000 0.916 2386 T HN 0.715 nan 8.240 nan 0.000 0.517 2387 V N 3.641 123.523 119.914 -0.053 0.000 2.715 2387 V HA 0.231 4.363 4.120 0.020 0.000 0.299 2387 V C 0.350 176.396 176.094 -0.080 0.000 1.054 2387 V CA -0.473 61.793 62.300 -0.057 0.000 1.077 2387 V CB 1.228 33.021 31.823 -0.049 0.000 0.972 2387 V HN 0.836 nan 8.190 nan 0.000 0.484 2388 V N 4.636 124.495 119.914 -0.091 0.000 2.384 2388 V HA 0.594 4.726 4.120 0.020 0.000 0.287 2388 V C 0.284 176.301 176.094 -0.129 0.000 1.020 2388 V CA 0.427 62.653 62.300 -0.123 0.000 0.850 2388 V CB 1.113 32.852 31.823 -0.140 0.000 0.987 2388 V HN 1.037 nan 8.190 nan 0.000 0.436 2389 S N 2.618 118.234 115.700 -0.140 0.000 5.007 2389 S HA 0.207 4.689 4.470 0.020 0.000 0.151 2389 S C -0.482 174.026 174.600 -0.154 0.000 1.182 2389 S CA -0.215 57.904 58.200 -0.135 0.000 1.145 2389 S CB 0.116 63.254 63.200 -0.104 0.000 2.073 2389 S HN 0.717 nan 8.310 nan 0.000 0.745 2390 D N 2.195 122.515 120.400 -0.134 0.000 2.382 2390 D HA 0.302 4.954 4.640 0.020 0.000 0.240 2390 D C -0.341 175.844 176.300 -0.192 0.000 1.146 2390 D CA 0.227 54.145 54.000 -0.136 0.000 0.897 2390 D CB 0.860 41.597 40.800 -0.105 0.000 1.197 2390 D HN 0.192 nan 8.370 nan 0.000 0.432 2391 V N 2.274 122.057 119.914 -0.219 0.000 2.637 2391 V HA -0.019 4.113 4.120 0.020 0.000 0.296 2391 V C 0.823 176.735 176.094 -0.304 0.000 1.046 2391 V CA -0.140 61.960 62.300 -0.334 0.000 1.066 2391 V CB 0.494 32.110 31.823 -0.346 0.000 0.968 2391 V HN 0.376 nan 8.190 nan 0.000 0.483 2392 E N 4.724 124.742 120.200 -0.304 0.000 2.292 2392 E HA 0.209 4.571 4.350 0.020 0.000 0.265 2392 E C -0.554 175.833 176.600 -0.355 0.000 1.093 2392 E CA -0.086 56.154 56.400 -0.266 0.000 0.922 2392 E CB 0.460 30.039 29.700 -0.201 0.000 1.001 2392 E HN 0.446 nan 8.360 nan 0.000 0.444 2393 L N 4.901 125.887 121.223 -0.395 0.000 2.454 2393 L HA 0.359 4.711 4.340 0.020 0.000 0.256 2393 L C -1.965 174.618 176.870 -0.478 0.000 1.136 2393 L CA -2.096 52.404 54.840 -0.566 0.000 0.804 2393 L CB 0.088 41.834 42.059 -0.522 0.000 1.181 2393 L HN 0.314 nan 8.230 nan 0.000 0.469 2394 P HA 0.189 nan 4.420 nan 0.000 0.274 2394 P C -2.228 174.740 177.300 -0.554 0.000 1.237 2394 P CA -1.315 61.391 63.100 -0.658 0.000 0.793 2394 P CB 0.177 31.104 31.700 -1.288 0.000 0.977 2395 P HA -0.148 nan 4.420 nan 0.000 0.216 2395 P C 0.998 178.260 177.300 -0.064 0.000 1.150 2395 P CA 1.431 64.440 63.100 -0.151 0.000 0.843 2395 P CB -0.440 31.236 31.700 -0.040 0.000 0.787 2396 W N -1.101 120.207 121.300 0.013 0.000 2.961 2396 W HA 0.392 5.064 4.660 0.020 0.000 0.240 2396 W C -0.307 176.236 176.519 0.039 0.000 1.305 2396 W CA 0.053 57.407 57.345 0.016 0.000 1.465 2396 W CB -0.783 28.674 29.460 -0.004 0.000 1.135 2396 W HN -0.076 nan 8.180 nan 0.000 0.688 2397 A N 1.955 124.796 122.820 0.035 0.000 2.466 2397 A HA 0.379 4.712 4.320 0.020 0.000 0.291 2397 A C 1.003 178.567 177.584 -0.033 0.000 1.234 2397 A CA -0.703 51.381 52.037 0.079 0.000 0.752 2397 A CB 0.985 20.016 19.000 0.053 0.000 1.153 2397 A HN -0.057 nan 8.150 nan 0.000 0.458 2398 K N 0.752 121.161 120.400 0.016 0.000 2.217 2398 K HA 0.005 4.337 4.320 0.020 0.000 0.202 2398 K C 0.930 177.510 176.600 -0.034 0.000 1.051 2398 K CA 1.687 57.964 56.287 -0.018 0.000 0.952 2398 K CB -0.383 32.121 32.500 0.007 0.000 0.736 2398 K HN 0.829 nan 8.250 nan 0.000 0.453 2399 T N -2.703 111.845 114.554 -0.009 0.000 2.907 2399 T HA 0.270 4.633 4.350 0.020 0.000 0.290 2399 T C 1.173 175.868 174.700 -0.007 0.000 1.066 2399 T CA -0.328 61.763 62.100 -0.015 0.000 1.012 2399 T CB 1.834 70.706 68.868 0.006 0.000 1.184 2399 T HN 0.010 nan 8.240 nan 0.000 0.522 2400 S N 0.238 115.932 115.700 -0.011 0.000 2.402 2400 S HA -0.114 4.368 4.470 0.020 0.000 0.229 2400 S C 1.460 176.108 174.600 0.080 0.000 1.021 2400 S CA 1.026 59.235 58.200 0.015 0.000 0.974 2400 S CB -0.702 62.552 63.200 0.089 0.000 0.800 2400 S HN 0.783 nan 8.310 nan 0.000 0.484 2401 E N 1.632 121.868 120.200 0.060 0.000 2.106 2401 E HA -0.054 4.309 4.350 0.020 0.000 0.192 2401 E C 2.048 178.709 176.600 0.101 0.000 0.984 2401 E CA 1.230 57.668 56.400 0.063 0.000 0.806 2401 E CB -0.259 29.456 29.700 0.026 0.000 0.750 2401 E HN 0.813 nan 8.360 nan 0.000 0.458 2402 E N -0.311 119.955 120.200 0.110 0.000 2.150 2402 E HA -0.182 4.180 4.350 0.020 0.000 0.193 2402 E C 1.656 178.387 176.600 0.218 0.000 0.985 2402 E CA 0.561 57.066 56.400 0.175 0.000 0.814 2402 E CB -0.098 29.694 29.700 0.153 0.000 0.752 2402 E HN 0.240 nan 8.360 nan 0.000 0.466 2403 F N 0.864 120.818 119.950 0.006 0.000 2.075 2403 F HA -0.192 4.346 4.527 0.019 0.000 0.297 2403 F C 2.014 177.815 175.800 0.002 0.000 1.113 2403 F CA 1.333 59.304 58.000 -0.049 0.000 1.218 2403 F CB -0.600 38.165 39.000 -0.391 0.000 0.984 2403 F HN -0.116 nan 8.300 nan 0.000 0.472 2404 V N 0.087 119.907 119.914 -0.157 0.000 2.295 2404 V HA -0.339 3.793 4.120 0.020 0.000 0.246 2404 V C 2.396 178.468 176.094 -0.037 0.000 1.049 2404 V CA 2.356 64.560 62.300 -0.160 0.000 1.024 2404 V CB -1.104 30.725 31.823 0.010 0.000 0.648 2404 V HN 0.517 nan 8.190 nan 0.000 0.447 2405 H N 0.437 119.490 119.070 -0.029 0.000 2.265 2405 H HA -0.183 4.385 4.556 0.020 0.000 0.295 2405 H C 2.038 177.373 175.328 0.011 0.000 1.084 2405 H CA 2.447 58.501 56.048 0.010 0.000 1.261 2405 H CB -0.381 29.396 29.762 0.025 0.000 1.360 2405 H HN 0.377 nan 8.280 nan 0.000 0.487 2406 I N 0.213 120.704 120.570 -0.132 0.000 2.361 2406 I HA -0.281 3.901 4.170 0.020 0.000 0.251 2406 I C 2.015 178.029 176.117 -0.172 0.000 1.133 2406 I CA 1.059 62.238 61.300 -0.202 0.000 1.413 2406 I CB -0.353 37.622 38.000 -0.040 0.000 1.073 2406 I HN 0.357 nan 8.210 nan 0.000 0.424 2407 N N 0.835 119.443 118.700 -0.153 0.000 2.120 2407 N HA -0.207 4.546 4.740 0.020 0.000 0.188 2407 N C 1.957 177.608 175.510 0.234 0.000 1.024 2407 N CA 1.176 54.197 53.050 -0.049 0.000 0.852 2407 N CB -0.337 37.963 38.487 -0.312 0.000 1.003 2407 N HN 0.208 nan 8.380 nan 0.000 0.424 2408 R N 1.157 121.755 120.500 0.163 0.000 2.075 2408 R HA 0.109 4.461 4.340 0.020 0.000 0.232 2408 R C 2.151 178.496 176.300 0.075 0.000 1.126 2408 R CA 0.867 57.082 56.100 0.192 0.000 0.963 2408 R CB -0.673 29.691 30.300 0.107 0.000 0.858 2408 R HN 0.215 nan 8.270 nan 0.000 0.435 2409 L N -0.262 120.925 121.223 -0.061 0.000 2.046 2409 L HA -0.117 4.235 4.340 0.020 0.000 0.208 2409 L C 2.463 179.364 176.870 0.052 0.000 1.077 2409 L CA 1.407 56.212 54.840 -0.058 0.000 0.747 2409 L CB -0.714 41.239 42.059 -0.177 0.000 0.896 2409 L HN 0.330 nan 8.230 nan 0.000 0.432 2410 A N 0.169 123.031 122.820 0.070 0.000 1.877 2410 A HA -0.244 4.089 4.320 0.020 0.000 0.216 2410 A C 2.205 179.941 177.584 0.254 0.000 1.186 2410 A CA 1.766 53.924 52.037 0.202 0.000 0.620 2410 A CB -0.786 18.247 19.000 0.056 0.000 0.822 2410 A HN 0.333 nan 8.150 nan 0.000 0.443 2411 L N -0.521 120.813 121.223 0.186 0.000 2.127 2411 L HA -0.114 4.238 4.340 0.020 0.000 0.211 2411 L C 1.585 178.511 176.870 0.094 0.000 1.089 2411 L CA 2.125 57.012 54.840 0.079 0.000 0.757 2411 L CB -0.376 41.608 42.059 -0.125 0.000 0.899 2411 L HN 0.320 nan 8.230 nan 0.000 0.434 2412 E N -0.224 120.041 120.200 0.109 0.000 2.479 2412 E HA 0.104 4.466 4.350 0.020 0.000 0.193 2412 E C 1.037 177.681 176.600 0.072 0.000 1.049 2412 E CA 0.557 57.016 56.400 0.099 0.000 0.870 2412 E CB -0.268 29.484 29.700 0.087 0.000 0.944 2412 E HN 0.634 nan 8.360 nan 0.000 0.492 2413 S N 0.568 116.325 115.700 0.095 0.000 2.576 2413 S HA 0.021 4.503 4.470 0.020 0.000 0.272 2413 S C 1.183 175.765 174.600 -0.031 0.000 1.352 2413 S CA -0.320 57.913 58.200 0.055 0.000 1.021 2413 S CB 1.435 64.735 63.200 0.165 0.000 0.887 2413 S HN -0.159 nan 8.310 nan 0.000 0.542 2414 E N 0.800 120.907 120.200 -0.154 0.000 2.265 2414 E HA 0.013 4.375 4.350 0.020 0.000 0.196 2414 E C 1.059 177.483 176.600 -0.294 0.000 0.996 2414 E CA 1.080 57.334 56.400 -0.244 0.000 0.832 2414 E CB -0.431 29.063 29.700 -0.344 0.000 0.756 2414 E HN 0.768 nan 8.360 nan 0.000 0.491 2415 F N -1.105 118.668 119.950 -0.296 0.000 2.234 2415 F HA -0.114 4.425 4.527 0.020 0.000 0.299 2415 F C 2.138 177.805 175.800 -0.222 0.000 1.087 2415 F CA 0.673 58.420 58.000 -0.422 0.000 1.340 2415 F CB -0.373 37.964 39.000 -1.105 0.000 1.031 2415 F HN -0.047 nan 8.300 nan 0.000 0.500 2416 V N -1.680 118.270 119.914 0.060 0.000 2.379 2416 V HA -0.170 3.962 4.120 0.020 0.000 0.243 2416 V C 2.302 178.474 176.094 0.130 0.000 1.035 2416 V CA 1.638 64.003 62.300 0.108 0.000 1.035 2416 V CB -0.668 31.228 31.823 0.122 0.000 0.673 2416 V HN 0.213 nan 8.190 nan 0.000 0.457 2417 S N 0.545 116.300 115.700 0.092 0.000 2.359 2417 S HA -0.291 4.191 4.470 0.020 0.000 0.223 2417 S C 2.037 176.701 174.600 0.107 0.000 1.039 2417 S CA 2.030 60.285 58.200 0.093 0.000 1.042 2417 S CB -0.664 62.511 63.200 -0.042 0.000 0.915 2417 S HN 0.877 nan 8.310 nan 0.000 0.439 2418 C N 0.591 119.922 119.300 0.052 0.000 2.466 2418 C HA 0.162 4.634 4.460 0.020 0.000 0.283 2418 C C 1.698 176.832 174.990 0.241 0.000 1.472 2418 C CA 0.098 59.168 59.018 0.087 0.000 1.765 2418 C CB -0.893 26.852 27.740 0.009 0.000 1.724 2418 C HN 0.368 nan 8.230 nan 0.000 0.560 2419 Q N -0.709 119.236 119.800 0.241 0.000 2.171 2419 Q HA 0.227 4.580 4.340 0.020 0.000 0.250 2419 Q C 1.651 177.722 176.000 0.118 0.000 0.791 2419 Q CA -0.044 55.866 55.803 0.177 0.000 0.950 2419 Q CB -0.363 28.440 28.738 0.108 0.000 1.151 2419 Q HN 0.581 nan 8.270 nan 0.000 0.480 2420 L N 2.844 124.213 121.223 0.243 0.000 2.197 2420 L HA -0.215 4.137 4.340 0.020 0.000 0.215 2420 L C 2.424 179.410 176.870 0.193 0.000 1.095 2420 L CA 1.960 56.929 54.840 0.214 0.000 0.764 2420 L CB -0.342 41.867 42.059 0.249 0.000 0.897 2420 L HN 0.385 nan 8.230 nan 0.000 0.436 2421 H N -1.513 117.693 119.070 0.227 0.000 2.491 2421 H HA -0.122 4.446 4.556 0.020 0.000 0.290 2421 H C 1.584 177.005 175.328 0.155 0.000 1.050 2421 H CA 1.412 57.525 56.048 0.108 0.000 1.309 2421 H CB -0.461 29.522 29.762 0.368 0.000 1.392 2421 H HN 0.581 nan 8.280 nan 0.000 0.554 2422 Q N -0.342 119.229 119.800 -0.382 0.000 2.187 2422 Q HA -0.102 4.250 4.340 0.020 0.000 0.199 2422 Q C 1.972 177.977 176.000 0.008 0.000 0.957 2422 Q CA 0.973 56.675 55.803 -0.169 0.000 0.857 2422 Q CB -0.169 28.453 28.738 -0.193 0.000 0.929 2422 Q HN 0.533 nan 8.270 nan 0.000 0.453 2423 W N 1.710 122.945 121.300 -0.110 0.000 2.379 2423 W HA -0.093 4.579 4.660 0.019 0.000 0.307 2423 W C 1.678 178.148 176.519 -0.082 0.000 1.200 2423 W CA 1.076 58.370 57.345 -0.085 0.000 1.297 2423 W CB -0.168 29.250 29.460 -0.069 0.000 1.140 2423 W HN -0.043 nan 8.180 nan 0.000 0.507 2424 I N 0.815 121.449 120.570 0.108 0.000 2.335 2424 I HA -0.327 3.855 4.170 0.020 0.000 0.251 2424 I C 1.946 178.027 176.117 -0.060 0.000 1.129 2424 I CA 1.613 62.913 61.300 -0.000 0.000 1.402 2424 I CB -0.581 37.353 38.000 -0.111 0.000 1.069 2424 I HN -0.039 nan 8.210 nan 0.000 0.424 2425 D N 0.808 121.196 120.400 -0.021 0.000 2.117 2425 D HA -0.125 4.527 4.640 0.020 0.000 0.197 2425 D C 2.355 178.559 176.300 -0.159 0.000 0.987 2425 D CA 1.284 55.296 54.000 0.019 0.000 0.829 2425 D CB -0.137 40.718 40.800 0.091 0.000 0.961 2425 D HN 0.329 nan 8.370 nan 0.000 0.460 2426 L N 0.405 121.463 121.223 -0.276 0.000 2.056 2426 L HA -0.122 4.230 4.340 0.020 0.000 0.207 2426 L C 2.339 178.943 176.870 -0.443 0.000 1.078 2426 L CA 0.607 55.243 54.840 -0.341 0.000 0.749 2426 L CB -0.134 41.690 42.059 -0.391 0.000 0.901 2426 L HN 0.028 nan 8.230 nan 0.000 0.433 2427 I N -1.177 118.951 120.570 -0.737 0.000 2.296 2427 I HA -0.136 4.046 4.170 0.020 0.000 0.242 2427 I C 2.059 177.715 176.117 -0.768 0.000 1.087 2427 I CA 1.845 62.585 61.300 -0.934 0.000 1.393 2427 I CB -0.889 36.170 38.000 -1.568 0.000 1.093 2427 I HN 0.129 nan 8.210 nan 0.000 0.421 2428 F N 0.339 120.084 119.950 -0.341 0.000 2.727 2428 F HA 0.384 4.923 4.527 0.019 0.000 0.302 2428 F C 1.811 177.499 175.800 -0.186 0.000 1.107 2428 F CA -0.087 57.765 58.000 -0.246 0.000 1.277 2428 F CB -0.698 38.120 39.000 -0.302 0.000 1.079 2428 F HN -0.063 nan 8.300 nan 0.000 0.594 2429 G N -0.151 108.663 108.800 0.023 0.000 2.546 2429 G HA2 0.001 3.973 3.960 0.020 0.000 0.239 2429 G HA3 0.001 3.973 3.960 0.020 0.000 0.239 2429 G C 0.539 175.504 174.900 0.108 0.000 1.476 2429 G CA 0.059 45.208 45.100 0.082 0.000 1.064 2429 G HN 0.438 nan 8.290 nan 0.000 0.561 2430 Y N -1.362 118.942 120.300 0.006 0.000 2.583 2430 Y HA 0.364 4.926 4.550 0.020 0.000 0.293 2430 Y C 1.929 177.834 175.900 0.010 0.000 1.157 2430 Y CA 0.563 58.670 58.100 0.012 0.000 1.315 2430 Y CB 0.192 38.669 38.460 0.028 0.000 1.021 2430 Y HN 0.191 nan 8.280 nan 0.000 0.536 2431 K N 0.754 120.883 120.400 -0.451 0.000 2.387 2431 K HA 0.012 4.344 4.320 0.020 0.000 0.198 2431 K C 1.624 178.129 176.600 -0.159 0.000 1.022 2431 K CA 0.075 56.111 56.287 -0.417 0.000 1.128 2431 K CB 0.165 32.386 32.500 -0.465 0.000 0.853 2431 K HN 0.464 nan 8.250 nan 0.000 0.523 2432 Q N 1.003 120.753 119.800 -0.083 0.000 2.119 2432 Q HA -0.095 4.258 4.340 0.020 0.000 0.201 2432 Q C 0.098 176.136 176.000 0.064 0.000 0.972 2432 Q CA 1.290 57.107 55.803 0.023 0.000 0.847 2432 Q CB 0.446 29.202 28.738 0.030 0.000 0.903 2432 Q HN 0.323 nan 8.270 nan 0.000 0.433 2433 Q N -2.333 117.455 119.800 -0.020 0.000 2.615 2433 Q HA 0.552 4.904 4.340 0.020 0.000 0.298 2433 Q C -0.469 175.493 176.000 -0.064 0.000 1.023 2433 Q CA -0.422 55.328 55.803 -0.088 0.000 0.768 2433 Q CB 2.066 30.718 28.738 -0.142 0.000 1.500 2433 Q HN 0.335 nan 8.270 nan 0.000 0.441 2434 G N 0.292 109.047 108.800 -0.075 0.000 2.741 2434 G HA2 -0.208 3.765 3.960 0.020 0.000 0.222 2434 G HA3 -0.208 3.765 3.960 0.020 0.000 0.222 2434 G C -2.182 172.702 174.900 -0.026 0.000 1.364 2434 G CA -0.454 44.624 45.100 -0.036 0.000 0.866 2434 G HN 0.501 nan 8.290 nan 0.000 0.555 2435 P HA -0.045 nan 4.420 nan 0.000 0.217 2435 P C 1.527 178.814 177.300 -0.022 0.000 1.148 2435 P CA 1.833 64.931 63.100 -0.004 0.000 0.834 2435 P CB 0.106 31.816 31.700 0.015 0.000 0.783 2436 E N -0.586 119.596 120.200 -0.031 0.000 2.107 2436 E HA -0.056 4.306 4.350 0.020 0.000 0.191 2436 E C 2.077 178.612 176.600 -0.108 0.000 0.982 2436 E CA 1.126 57.477 56.400 -0.082 0.000 0.809 2436 E CB -1.036 28.572 29.700 -0.152 0.000 0.756 2436 E HN 0.049 nan 8.360 nan 0.000 0.459 2437 A N 0.253 123.023 122.820 -0.084 0.000 1.978 2437 A HA -0.167 4.166 4.320 0.020 0.000 0.220 2437 A C 2.378 179.941 177.584 -0.034 0.000 1.170 2437 A CA 1.882 53.891 52.037 -0.047 0.000 0.636 2437 A CB -0.873 18.123 19.000 -0.008 0.000 0.810 2437 A HN 0.284 nan 8.150 nan 0.000 0.448 2438 V N -2.490 117.383 119.914 -0.068 0.000 2.591 2438 V HA -0.048 4.084 4.120 0.020 0.000 0.249 2438 V C 2.229 178.259 176.094 -0.106 0.000 1.053 2438 V CA 1.850 64.076 62.300 -0.124 0.000 1.068 2438 V CB -0.861 30.842 31.823 -0.200 0.000 0.689 2438 V HN 0.511 nan 8.190 nan 0.000 0.462 2439 R N 1.018 121.470 120.500 -0.079 0.000 2.096 2439 R HA 0.052 4.404 4.340 0.020 0.000 0.235 2439 R C 1.963 178.213 176.300 -0.083 0.000 1.127 2439 R CA 1.535 57.595 56.100 -0.067 0.000 0.968 2439 R CB -0.406 29.869 30.300 -0.041 0.000 0.861 2439 R HN 0.606 nan 8.270 nan 0.000 0.440 2440 A N 0.406 123.172 122.820 -0.090 0.000 2.337 2440 A HA 0.208 4.540 4.320 0.020 0.000 0.227 2440 A C 0.579 178.090 177.584 -0.122 0.000 1.259 2440 A CA -0.223 51.761 52.037 -0.089 0.000 0.870 2440 A CB 0.008 18.956 19.000 -0.087 0.000 0.927 2440 A HN 0.441 nan 8.150 nan 0.000 0.497 2441 L N -0.585 120.497 121.223 -0.236 0.000 3.677 2441 L HA -0.221 4.131 4.340 0.020 0.000 0.464 2441 L C 0.265 177.034 176.870 -0.169 0.000 1.278 2441 L CA 0.711 55.193 54.840 -0.597 0.000 0.806 2441 L CB -1.543 40.222 42.059 -0.489 0.000 1.610 2441 L HN 0.666 nan 8.230 nan 0.000 0.867 2442 N N -0.436 118.305 118.700 0.070 0.000 2.517 2442 N HA 0.280 5.033 4.740 0.020 0.000 0.285 2442 N C -0.679 175.014 175.510 0.305 0.000 1.528 2442 N CA -0.100 53.079 53.050 0.216 0.000 0.892 2442 N CB 0.796 39.362 38.487 0.131 0.000 1.356 2442 N HN 0.106 nan 8.380 nan 0.000 0.495 2443 V N 2.250 122.319 119.914 0.258 0.000 2.333 2443 V HA 0.466 4.598 4.120 0.020 0.000 0.274 2443 V C -0.083 176.109 176.094 0.163 0.000 1.028 2443 V CA -0.515 61.923 62.300 0.230 0.000 0.851 2443 V CB -0.036 31.809 31.823 0.037 0.000 1.000 2443 V HN 0.057 nan 8.190 nan 0.000 0.456 2444 F N 2.668 122.945 119.950 0.546 0.000 2.364 2444 F HA 0.465 5.005 4.527 0.021 0.000 0.316 2444 F C 0.321 176.349 175.800 0.381 0.000 1.133 2444 F CA -0.897 57.364 58.000 0.435 0.000 1.051 2444 F CB 0.320 39.455 39.000 0.225 0.000 1.342 2444 F HN 0.366 nan 8.300 nan 0.000 0.507 2445 Y N 1.227 121.640 120.300 0.189 0.000 2.702 2445 Y HA -0.101 4.461 4.550 0.020 0.000 0.336 2445 Y C 1.333 177.288 175.900 0.091 0.000 1.235 2445 Y CA -0.556 57.473 58.100 -0.118 0.000 1.492 2445 Y CB 0.087 38.346 38.460 -0.336 0.000 1.308 2445 Y HN 0.523 nan 8.280 nan 0.000 0.589 2446 Y N 2.339 122.402 120.300 -0.394 0.000 2.256 2446 Y HA -0.187 4.377 4.550 0.023 0.000 0.288 2446 Y C 1.388 177.305 175.900 0.028 0.000 1.155 2446 Y CA 1.066 59.130 58.100 -0.060 0.000 1.203 2446 Y CB -0.414 37.903 38.460 -0.238 0.000 0.980 2446 Y HN 0.473 nan 8.280 nan 0.000 0.530 2447 L N 0.682 121.356 121.223 -0.914 0.000 2.265 2447 L HA -0.142 4.210 4.340 0.020 0.000 0.215 2447 L C 2.296 178.995 176.870 -0.285 0.000 1.117 2447 L CA 1.758 56.232 54.840 -0.610 0.000 0.782 2447 L CB -1.805 39.977 42.059 -0.461 0.000 0.914 2447 L HN 0.404 nan 8.230 nan 0.000 0.441 2448 T N -1.330 113.071 114.554 -0.255 0.000 3.007 2448 T HA -0.095 4.268 4.350 0.020 0.000 0.270 2448 T C 0.219 174.626 174.700 -0.488 0.000 1.107 2448 T CA 0.495 62.346 62.100 -0.416 0.000 1.118 2448 T CB -0.221 68.373 68.868 -0.458 0.000 0.889 2448 T HN 0.061 nan 8.240 nan 0.000 0.506 2449 Y N 1.659 121.909 120.300 -0.084 0.000 2.334 2449 Y HA 0.399 4.962 4.550 0.022 0.000 0.328 2449 Y C 0.531 176.400 175.900 -0.052 0.000 1.130 2449 Y CA -1.551 56.521 58.100 -0.047 0.000 1.163 2449 Y CB 0.605 39.071 38.460 0.010 0.000 1.207 2449 Y HN 0.002 nan 8.280 nan 0.000 0.471 2450 E N 1.196 121.460 120.200 0.106 0.000 2.442 2450 E HA 0.207 4.570 4.350 0.020 0.000 0.262 2450 E C 1.048 177.694 176.600 0.076 0.000 1.004 2450 E CA 1.039 57.470 56.400 0.053 0.000 0.928 2450 E CB 0.166 29.893 29.700 0.044 0.000 0.937 2450 E HN 0.935 nan 8.360 nan 0.000 0.446 2451 G N 2.714 111.544 108.800 0.049 0.000 2.189 2451 G HA2 -0.397 3.576 3.960 0.020 0.000 0.267 2451 G HA3 -0.397 3.576 3.960 0.020 0.000 0.267 2451 G C 0.914 175.855 174.900 0.068 0.000 0.975 2451 G CA 0.748 45.880 45.100 0.053 0.000 0.644 2451 G HN 0.801 nan 8.290 nan 0.000 0.537 2452 A N -1.354 121.519 122.820 0.087 0.000 1.972 2452 A HA 0.511 4.844 4.320 0.020 0.000 0.219 2452 A C 1.192 178.851 177.584 0.125 0.000 1.169 2452 A CA 2.103 54.220 52.037 0.133 0.000 0.635 2452 A CB 0.222 19.307 19.000 0.142 0.000 0.810 2452 A HN 1.310 nan 8.150 nan 0.000 0.446 2453 V N -1.481 118.476 119.914 0.073 0.000 3.204 2453 V HA 0.233 4.365 4.120 0.020 0.000 0.298 2453 V C -1.084 175.034 176.094 0.039 0.000 1.328 2453 V CA -0.986 61.353 62.300 0.066 0.000 1.035 2453 V CB 2.084 33.948 31.823 0.069 0.000 1.095 2453 V HN 0.458 nan 8.190 nan 0.000 0.442 2454 N N 1.376 120.099 118.700 0.039 0.000 2.446 2454 N HA 0.478 5.231 4.740 0.020 0.000 0.265 2454 N C 0.764 176.292 175.510 0.030 0.000 0.975 2454 N CA -0.614 52.455 53.050 0.032 0.000 0.928 2454 N CB 1.354 39.861 38.487 0.034 0.000 1.160 2454 N HN 0.675 nan 8.380 nan 0.000 0.495 2455 L N 2.789 124.027 121.223 0.025 0.000 2.083 2455 L HA -0.175 4.177 4.340 0.020 0.000 0.209 2455 L C 1.383 178.271 176.870 0.030 0.000 1.083 2455 L CA 1.000 55.855 54.840 0.024 0.000 0.752 2455 L CB -0.376 41.695 42.059 0.020 0.000 0.899 2455 L HN 0.640 nan 8.230 nan 0.000 0.433 2456 N N -0.701 118.020 118.700 0.034 0.000 2.216 2456 N HA -0.161 4.591 4.740 0.020 0.000 0.183 2456 N C 1.973 177.502 175.510 0.031 0.000 1.017 2456 N CA 1.260 54.331 53.050 0.034 0.000 0.861 2456 N CB -0.510 37.999 38.487 0.038 0.000 0.986 2456 N HN 0.162 nan 8.380 nan 0.000 0.428 2457 S N 0.487 116.206 115.700 0.031 0.000 2.372 2457 S HA -0.121 4.361 4.470 0.020 0.000 0.227 2457 S C 0.789 175.406 174.600 0.028 0.000 1.044 2457 S CA 0.720 58.938 58.200 0.029 0.000 1.050 2457 S CB -0.300 62.919 63.200 0.032 0.000 0.901 2457 S HN 0.120 nan 8.310 nan 0.000 0.447 2458 I N 2.014 122.602 120.570 0.030 0.000 2.638 2458 I HA 0.153 4.335 4.170 0.020 0.000 0.286 2458 I C 1.552 177.684 176.117 0.026 0.000 1.088 2458 I CA 0.566 61.883 61.300 0.028 0.000 1.397 2458 I CB 0.839 38.857 38.000 0.030 0.000 1.414 2458 I HN 0.440 nan 8.210 nan 0.000 0.566 2459 T N -1.341 113.228 114.554 0.024 0.000 2.958 2459 T HA 0.066 4.428 4.350 0.020 0.000 0.256 2459 T C 0.391 175.104 174.700 0.021 0.000 0.983 2459 T CA -0.269 61.845 62.100 0.022 0.000 0.924 2459 T CB 0.078 68.958 68.868 0.020 0.000 1.136 2459 T HN 0.453 nan 8.240 nan 0.000 0.506 2460 D N 3.457 123.869 120.400 0.021 0.000 2.344 2460 D HA 0.276 4.928 4.640 0.020 0.000 0.253 2460 D C -1.569 174.743 176.300 0.020 0.000 1.255 2460 D CA -2.442 51.570 54.000 0.019 0.000 0.894 2460 D CB 1.528 42.340 40.800 0.019 0.000 1.067 2460 D HN -0.010 nan 8.370 nan 0.000 0.492 2461 P HA -0.249 nan 4.420 nan 0.000 0.220 2461 P C 1.471 178.781 177.300 0.018 0.000 1.155 2461 P CA 0.933 64.044 63.100 0.019 0.000 0.880 2461 P CB 0.271 31.981 31.700 0.018 0.000 0.790 2462 V N -1.117 118.807 119.914 0.017 0.000 2.261 2462 V HA -0.213 3.919 4.120 0.020 0.000 0.246 2462 V C 2.389 178.493 176.094 0.016 0.000 1.047 2462 V CA 1.648 63.957 62.300 0.015 0.000 1.015 2462 V CB -1.358 30.474 31.823 0.014 0.000 0.642 2462 V HN 0.046 nan 8.190 nan 0.000 0.446 2463 L N -0.241 120.994 121.223 0.019 0.000 2.083 2463 L HA -0.070 4.282 4.340 0.020 0.000 0.209 2463 L C 2.552 179.435 176.870 0.022 0.000 1.083 2463 L CA 1.791 56.645 54.840 0.023 0.000 0.752 2463 L CB -0.758 41.319 42.059 0.028 0.000 0.899 2463 L HN 0.125 nan 8.230 nan 0.000 0.433 2464 R N -0.460 120.052 120.500 0.021 0.000 2.075 2464 R HA -0.119 4.233 4.340 0.020 0.000 0.232 2464 R C 2.139 178.448 176.300 0.014 0.000 1.126 2464 R CA 1.159 57.270 56.100 0.019 0.000 0.963 2464 R CB -0.310 30.003 30.300 0.022 0.000 0.858 2464 R HN 0.409 nan 8.270 nan 0.000 0.435 2465 E N 0.018 120.227 120.200 0.015 0.000 2.216 2465 E HA -0.023 4.339 4.350 0.020 0.000 0.192 2465 E C 1.596 178.201 176.600 0.009 0.000 0.988 2465 E CA 0.821 57.229 56.400 0.014 0.000 0.834 2465 E CB 0.175 29.885 29.700 0.016 0.000 0.772 2465 E HN 0.276 nan 8.360 nan 0.000 0.479 2466 A N 0.460 123.285 122.820 0.008 0.000 1.898 2466 A HA -0.093 4.239 4.320 0.020 0.000 0.216 2466 A C 2.490 180.070 177.584 -0.006 0.000 1.181 2466 A CA 1.172 53.210 52.037 0.002 0.000 0.620 2466 A CB -0.524 18.478 19.000 0.003 0.000 0.819 2466 A HN 0.152 nan 8.150 nan 0.000 0.442 2467 V N 0.317 120.228 119.914 -0.004 0.000 2.358 2467 V HA -0.249 3.883 4.120 0.020 0.000 0.246 2467 V C 2.420 178.493 176.094 -0.034 0.000 1.047 2467 V CA 2.236 64.525 62.300 -0.018 0.000 1.035 2467 V CB -0.772 31.047 31.823 -0.006 0.000 0.658 2467 V HN 0.628 nan 8.190 nan 0.000 0.452 2468 E N 0.378 120.563 120.200 -0.026 0.000 2.047 2468 E HA -0.161 4.202 4.350 0.020 0.000 0.191 2468 E C 2.353 178.927 176.600 -0.043 0.000 0.987 2468 E CA 1.253 57.626 56.400 -0.046 0.000 0.799 2468 E CB -0.335 29.348 29.700 -0.028 0.000 0.752 2468 E HN 0.580 nan 8.360 nan 0.000 0.449 2469 A N 1.349 124.165 122.820 -0.007 0.000 1.933 2469 A HA -0.270 4.063 4.320 0.020 0.000 0.218 2469 A C 2.157 179.796 177.584 0.093 0.000 1.175 2469 A CA 1.784 53.837 52.037 0.026 0.000 0.628 2469 A CB -0.443 18.586 19.000 0.048 0.000 0.814 2469 A HN 0.124 nan 8.150 nan 0.000 0.444 2470 Q N 0.087 119.925 119.800 0.063 0.000 2.046 2470 Q HA -0.037 4.315 4.340 0.020 0.000 0.200 2470 Q C 1.705 177.755 176.000 0.084 0.000 0.975 2470 Q CA 1.852 57.711 55.803 0.094 0.000 0.836 2470 Q CB -0.430 28.263 28.738 -0.075 0.000 0.896 2470 Q HN 0.666 nan 8.270 nan 0.000 0.428 2471 I N 0.068 120.610 120.570 -0.048 0.000 2.493 2471 I HA -0.199 3.983 4.170 0.020 0.000 0.254 2471 I C 2.536 178.548 176.117 -0.175 0.000 1.160 2471 I CA 0.932 62.153 61.300 -0.131 0.000 1.445 2471 I CB -0.260 37.647 38.000 -0.155 0.000 1.086 2471 I HN 0.239 nan 8.210 nan 0.000 0.433 2472 R N 0.552 120.962 120.500 -0.149 0.000 2.062 2472 R HA -0.086 4.266 4.340 0.020 0.000 0.229 2472 R C 1.989 178.140 176.300 -0.248 0.000 1.128 2472 R CA 1.836 57.814 56.100 -0.203 0.000 0.960 2472 R CB 0.001 30.208 30.300 -0.154 0.000 0.855 2472 R HN 0.137 nan 8.270 nan 0.000 0.432 2473 S N -0.559 114.976 115.700 -0.276 0.000 2.502 2473 S HA 0.157 4.639 4.470 0.020 0.000 0.215 2473 S C 0.367 174.448 174.600 -0.866 0.000 1.009 2473 S CA -0.098 57.747 58.200 -0.591 0.000 0.908 2473 S CB 0.395 63.136 63.200 -0.765 0.000 0.801 2473 S HN 0.252 nan 8.310 nan 0.000 0.505 2474 F N 2.034 121.831 119.950 -0.256 0.000 2.684 2474 F HA 0.508 5.049 4.527 0.024 0.000 0.298 2474 F C 1.115 176.717 175.800 -0.330 0.000 1.120 2474 F CA -0.185 57.657 58.000 -0.262 0.000 1.332 2474 F CB 0.437 39.309 39.000 -0.213 0.000 0.986 2474 F HN 0.159 nan 8.300 nan 0.000 0.524 2475 G N 1.041 109.612 108.800 -0.382 0.000 2.841 2475 G HA2 0.017 3.989 3.960 0.020 0.000 0.684 2475 G HA3 0.017 3.989 3.960 0.020 0.000 0.684 2475 G C -1.235 173.154 174.900 -0.852 0.000 1.273 2475 G CA -1.141 43.518 45.100 -0.735 0.000 0.811 2475 G HN 0.114 nan 8.290 nan 0.000 0.631 2476 Q N 1.012 120.238 119.800 -0.958 0.000 2.337 2476 Q HA 0.493 4.845 4.340 0.020 0.000 0.264 2476 Q C -0.138 175.475 176.000 -0.645 0.000 1.007 2476 Q CA -0.730 54.677 55.803 -0.660 0.000 0.727 2476 Q CB 2.056 30.558 28.738 -0.392 0.000 1.256 2476 Q HN 0.588 nan 8.270 nan 0.000 0.467 2477 T N 4.296 118.490 114.554 -0.599 0.000 2.888 2477 T HA 0.144 4.506 4.350 0.020 0.000 0.301 2477 T C -2.151 172.416 174.700 -0.222 0.000 1.001 2477 T CA -0.720 61.167 62.100 -0.356 0.000 1.147 2477 T CB 0.182 68.794 68.868 -0.427 0.000 0.931 2477 T HN 0.250 nan 8.240 nan 0.000 0.541 2478 P HA 0.121 nan 4.420 nan 0.000 0.269 2478 P C -0.319 176.938 177.300 -0.072 0.000 1.217 2478 P CA -0.280 62.735 63.100 -0.141 0.000 0.783 2478 P CB 0.380 31.912 31.700 -0.280 0.000 0.898 2479 S N 0.811 116.510 115.700 -0.001 0.000 2.568 2479 S HA -0.003 4.479 4.470 0.020 0.000 0.282 2479 S C 0.218 174.850 174.600 0.052 0.000 1.338 2479 S CA -0.321 57.896 58.200 0.028 0.000 1.045 2479 S CB -0.077 63.144 63.200 0.035 0.000 0.873 2479 S HN 0.430 nan 8.310 nan 0.000 0.516 2480 Q N 1.403 121.228 119.800 0.041 0.000 2.304 2480 Q HA 0.223 4.575 4.340 0.020 0.000 0.260 2480 Q C 0.301 176.304 176.000 0.004 0.000 0.965 2480 Q CA -0.125 55.698 55.803 0.033 0.000 0.898 2480 Q CB 0.338 29.096 28.738 0.034 0.000 1.196 2480 Q HN 0.688 nan 8.270 nan 0.000 0.402 2481 L N 5.009 126.197 121.223 -0.057 0.000 2.554 2481 L HA 0.242 4.594 4.340 0.020 0.000 0.225 2481 L C 0.185 176.871 176.870 -0.306 0.000 1.104 2481 L CA 0.179 54.886 54.840 -0.221 0.000 0.866 2481 L CB -0.057 41.715 42.059 -0.479 0.000 1.047 2481 L HN 0.589 nan 8.230 nan 0.000 0.468 2482 L N -2.564 118.541 121.223 -0.197 0.000 2.794 2482 L HA 0.406 4.758 4.340 0.020 0.000 0.261 2482 L C -0.504 176.372 176.870 0.011 0.000 0.989 2482 L CA -0.855 53.930 54.840 -0.092 0.000 0.900 2482 L CB 1.757 43.711 42.059 -0.176 0.000 1.473 2482 L HN 0.019 nan 8.230 nan 0.000 0.414 2483 I N -1.506 119.095 120.570 0.051 0.000 3.856 2483 I HA 0.432 4.614 4.170 0.020 0.000 0.330 2483 I C -0.082 176.081 176.117 0.075 0.000 1.546 2483 I CA -0.090 61.265 61.300 0.092 0.000 1.132 2483 I CB 0.373 38.416 38.000 0.071 0.000 1.157 2483 I HN 0.827 nan 8.210 nan 0.000 0.440 2484 E N 0.525 120.729 120.200 0.006 0.000 2.392 2484 E HA 0.629 4.991 4.350 0.020 0.000 0.269 2484 E C -2.947 173.487 176.600 -0.278 0.000 0.924 2484 E CA -2.567 53.719 56.400 -0.190 0.000 0.784 2484 E CB 1.190 30.823 29.700 -0.112 0.000 1.292 2484 E HN -0.144 nan 8.360 nan 0.000 0.447 2485 P HA -0.126 nan 4.420 nan 0.000 0.264 2485 P C -0.879 176.479 177.300 0.097 0.000 1.179 2485 P CA 0.405 63.328 63.100 -0.296 0.000 0.763 2485 P CB 0.243 31.784 31.700 -0.265 0.000 0.806 2486 H N 4.367 123.570 119.070 0.221 0.000 2.580 2486 H HA 0.258 4.826 4.556 0.020 0.000 0.322 2486 H C -2.243 173.247 175.328 0.270 0.000 1.082 2486 H CA -2.225 53.986 56.048 0.271 0.000 1.383 2486 H CB 0.335 30.284 29.762 0.313 0.000 1.450 2486 H HN 0.206 nan 8.280 nan 0.000 0.505 2487 P HA 0.039 nan 4.420 nan 0.000 0.266 2487 P C -2.534 174.852 177.300 0.144 0.000 1.195 2487 P CA -0.793 62.345 63.100 0.062 0.000 0.768 2487 P CB 0.072 31.750 31.700 -0.038 0.000 0.838 2488 P HA 0.114 nan 4.420 nan 0.000 0.274 2488 P C -1.331 175.873 177.300 -0.161 0.000 1.237 2488 P CA -0.805 62.014 63.100 -0.468 0.000 0.793 2488 P CB 1.341 32.687 31.700 -0.591 0.000 0.977 2489 R N 0.000 120.363 120.500 -0.228 0.000 2.786 2489 R HA 0.000 4.352 4.340 0.020 0.000 0.208 2489 R CA 0.000 55.610 56.100 -0.816 0.000 0.921 2489 R CB 0.000 29.681 30.300 -1.031 0.000 0.687 2489 R HN 0.000 nan 8.270 nan 0.000 0.535