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 2zzx_1_C DATA FIRST_RESID 2032 DATA SEQUENCE RRYRWRIQTA WDAGTVGYSL FQKFTERVKE LTDGQLEVQP FPAGAVVGTF DATA SEQUENCE DMFDAVKTGV LDGMNPFTLY WAGRMPVTAF LSSYALGLDR PDQWETWFYS DATA SEQUENCE LGGLDIARRA FAEQGLFYVG PVQHDLNIIH SKKPIRRFED FKGVKLRVPG DATA SEQUENCE GMIAEVFAAA GASTVLLPGG EVYPALERGV IDAADFVGPA VNYNLGFHQV DATA SEQUENCE AKYIIMGPPE TPAIHQPVDL MDFTINLNRW RSLPKPLQER FIAAVHEYSW DATA SEQUENCE IHYAGIQKAN LEAWPKYRQA GVEVIRLSNE DVRKFRRLAI PIWFKWAKMD DATA SEQUENCE KYSREAFASQ LEYMKGIGYV TDEELK 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 2032 R HA 0.000 nan 4.340 nan 0.000 0.208 2032 R C 0.000 176.134 176.300 -0.276 0.000 0.893 2032 R CA 0.000 55.974 56.100 -0.210 0.000 0.921 2032 R CB 0.000 30.120 30.300 -0.300 0.000 0.687 2033 R N 1.749 122.010 120.500 -0.397 0.000 2.664 2033 R HA 0.455 4.810 4.340 0.024 0.000 0.286 2033 R C -1.327 174.619 176.300 -0.591 0.000 0.967 2033 R CA -0.613 55.292 56.100 -0.324 0.000 0.933 2033 R CB 1.553 31.744 30.300 -0.183 0.000 1.146 2033 R HN 0.435 nan 8.270 nan 0.000 0.468 2034 Y N 0.825 121.007 120.300 -0.197 0.000 2.446 2034 Y HA 0.479 5.044 4.550 0.025 0.000 0.345 2034 Y C 0.120 175.862 175.900 -0.265 0.000 0.984 2034 Y CA -0.925 57.030 58.100 -0.242 0.000 1.058 2034 Y CB 1.993 40.210 38.460 -0.406 0.000 1.220 2034 Y HN 0.207 nan 8.280 nan 0.000 0.455 2035 R N 2.387 122.879 120.500 -0.013 0.000 2.483 2035 R HA 0.321 4.676 4.340 0.024 0.000 0.303 2035 R C -1.940 174.522 176.300 0.270 0.000 0.987 2035 R CA -0.728 55.397 56.100 0.041 0.000 0.881 2035 R CB 1.639 31.973 30.300 0.056 0.000 1.177 2035 R HN 0.566 nan 8.270 nan 0.000 0.451 2036 W N 3.128 124.469 121.300 0.068 0.000 2.587 2036 W HA 0.423 5.098 4.660 0.024 0.000 0.324 2036 W C 0.250 176.870 176.519 0.169 0.000 1.040 2036 W CA -1.156 56.245 57.345 0.094 0.000 1.222 2036 W CB 1.084 30.574 29.460 0.050 0.000 1.381 2036 W HN 0.255 nan 8.180 nan 0.000 0.483 2037 R N 3.950 124.694 120.500 0.407 0.000 2.234 2037 R HA 0.604 4.958 4.340 0.024 0.000 0.324 2037 R C -0.439 176.114 176.300 0.421 0.000 1.054 2037 R CA -0.528 55.853 56.100 0.468 0.000 0.912 2037 R CB 1.022 31.518 30.300 0.328 0.000 1.030 2037 R HN 0.388 nan 8.270 nan 0.000 0.455 2038 I N 2.356 123.273 120.570 0.579 0.000 2.499 2038 I HA 0.198 4.383 4.170 0.024 0.000 0.288 2038 I C -0.309 176.203 176.117 0.659 0.000 1.048 2038 I CA -0.737 60.890 61.300 0.545 0.000 1.062 2038 I CB 2.323 40.727 38.000 0.673 0.000 1.238 2038 I HN 0.472 nan 8.210 nan 0.000 0.426 2039 Q N 3.773 123.810 119.800 0.395 0.000 2.266 2039 Q HA 0.488 4.843 4.340 0.024 0.000 0.261 2039 Q C -0.824 175.180 176.000 0.007 0.000 0.985 2039 Q CA -0.361 55.628 55.803 0.309 0.000 0.873 2039 Q CB 2.341 31.190 28.738 0.185 0.000 1.306 2039 Q HN 0.666 nan 8.270 nan 0.000 0.447 2040 T N 0.811 115.250 114.554 -0.192 0.000 2.940 2040 T HA 0.569 4.934 4.350 0.024 0.000 0.288 2040 T C 0.519 175.060 174.700 -0.264 0.000 1.033 2040 T CA 0.151 61.933 62.100 -0.530 0.000 1.033 2040 T CB 1.300 69.500 68.868 -1.114 0.000 1.079 2040 T HN 0.697 nan 8.240 nan 0.000 0.496 2041 A N 2.282 124.854 122.820 -0.414 0.000 2.168 2041 A HA 0.169 4.504 4.320 0.024 0.000 0.215 2041 A C 0.516 178.066 177.584 -0.057 0.000 1.152 2041 A CA -0.060 51.842 52.037 -0.225 0.000 0.716 2041 A CB -0.557 18.230 19.000 -0.355 0.000 0.794 2041 A HN 0.826 nan 8.150 nan 0.000 0.465 2042 W N 1.523 122.808 121.300 -0.025 0.000 2.266 2042 W HA 0.216 4.889 4.660 0.023 0.000 0.317 2042 W C -0.322 176.266 176.519 0.114 0.000 1.310 2042 W CA -1.039 56.380 57.345 0.123 0.000 1.207 2042 W CB 0.532 30.084 29.460 0.153 0.000 1.199 2042 W HN 0.183 nan 8.180 nan 0.000 0.544 2043 D N 2.026 122.679 120.400 0.423 0.000 2.372 2043 D HA 0.216 4.870 4.640 0.024 0.000 0.243 2043 D C 0.145 176.474 176.300 0.048 0.000 1.121 2043 D CA 0.045 54.138 54.000 0.156 0.000 0.898 2043 D CB 1.214 42.087 40.800 0.123 0.000 1.202 2043 D HN 0.398 nan 8.370 nan 0.000 0.428 2044 A N 0.727 123.440 122.820 -0.178 0.000 2.511 2044 A HA 0.418 4.753 4.320 0.024 0.000 0.242 2044 A C 1.348 178.905 177.584 -0.044 0.000 1.069 2044 A CA 0.727 52.581 52.037 -0.305 0.000 0.763 2044 A CB 0.095 18.903 19.000 -0.320 0.000 1.001 2044 A HN 0.792 nan 8.150 nan 0.000 0.498 2045 G N 1.422 110.264 108.800 0.070 0.000 2.234 2045 G HA2 -0.187 3.788 3.960 0.024 0.000 0.235 2045 G HA3 -0.187 3.788 3.960 0.024 0.000 0.235 2045 G C 0.638 175.573 174.900 0.058 0.000 0.997 2045 G CA 0.952 46.092 45.100 0.066 0.000 0.623 2045 G HN 2.048 nan 8.290 nan 0.000 0.514 2046 T N -1.262 113.336 114.554 0.073 0.000 2.849 2046 T HA 0.594 4.959 4.350 0.024 0.000 0.284 2046 T C 1.617 176.265 174.700 -0.087 0.000 1.004 2046 T CA 0.175 62.264 62.100 -0.018 0.000 1.021 2046 T CB 1.958 70.808 68.868 -0.031 0.000 1.013 2046 T HN 0.577 nan 8.240 nan 0.000 0.527 2047 V N 2.388 122.183 119.914 -0.199 0.000 2.392 2047 V HA -0.075 4.059 4.120 0.024 0.000 0.249 2047 V C 2.874 178.756 176.094 -0.354 0.000 1.059 2047 V CA 2.385 64.547 62.300 -0.230 0.000 1.051 2047 V CB -1.612 30.055 31.823 -0.261 0.000 0.658 2047 V HN 1.128 nan 8.190 nan 0.000 0.455 2048 G N -1.453 106.883 108.800 -0.774 0.000 2.446 2048 G HA2 -0.347 3.627 3.960 0.024 0.000 0.217 2048 G HA3 -0.347 3.627 3.960 0.024 0.000 0.217 2048 G C 1.560 176.239 174.900 -0.368 0.000 1.168 2048 G CA 1.158 45.479 45.100 -1.299 0.000 0.771 2048 G HN 0.529 nan 8.290 nan 0.000 0.551 2049 Y N 2.080 122.290 120.300 -0.150 0.000 2.224 2049 Y HA -0.129 4.435 4.550 0.024 0.000 0.289 2049 Y C 3.121 179.161 175.900 0.234 0.000 1.146 2049 Y CA 1.519 59.749 58.100 0.216 0.000 1.182 2049 Y CB -0.197 38.382 38.460 0.198 0.000 0.983 2049 Y HN 0.229 nan 8.280 nan 0.000 0.524 2050 S N 0.159 115.893 115.700 0.057 0.000 2.368 2050 S HA -0.182 4.303 4.470 0.024 0.000 0.225 2050 S C 2.046 176.668 174.600 0.036 0.000 1.030 2050 S CA 1.565 59.773 58.200 0.013 0.000 0.999 2050 S CB -0.519 62.694 63.200 0.022 0.000 0.844 2050 S HN 0.441 nan 8.310 nan 0.000 0.459 2051 L N -0.152 121.139 121.223 0.113 0.000 2.093 2051 L HA -0.052 4.303 4.340 0.024 0.000 0.208 2051 L C 2.215 179.348 176.870 0.438 0.000 1.085 2051 L CA 1.136 56.143 54.840 0.279 0.000 0.755 2051 L CB -0.466 41.786 42.059 0.323 0.000 0.904 2051 L HN 0.264 nan 8.230 nan 0.000 0.435 2052 F N 0.772 120.861 119.950 0.232 0.000 2.134 2052 F HA -0.222 4.320 4.527 0.025 0.000 0.299 2052 F C 2.585 178.378 175.800 -0.011 0.000 1.097 2052 F CA 1.539 59.632 58.000 0.156 0.000 1.264 2052 F CB -0.248 38.845 39.000 0.156 0.000 1.001 2052 F HN 0.051 nan 8.300 nan 0.000 0.479 2053 Q N 0.209 119.863 119.800 -0.243 0.000 2.084 2053 Q HA -0.219 4.136 4.340 0.024 0.000 0.202 2053 Q C 2.181 178.069 176.000 -0.187 0.000 0.978 2053 Q CA 1.834 57.444 55.803 -0.323 0.000 0.844 2053 Q CB -0.253 28.326 28.738 -0.266 0.000 0.898 2053 Q HN 0.438 nan 8.270 nan 0.000 0.426 2054 K N -0.029 120.337 120.400 -0.058 0.000 2.209 2054 K HA -0.145 4.189 4.320 0.024 0.000 0.204 2054 K C 1.824 178.415 176.600 -0.014 0.000 1.048 2054 K CA 0.914 57.195 56.287 -0.010 0.000 0.940 2054 K CB -0.176 32.365 32.500 0.068 0.000 0.729 2054 K HN 0.117 nan 8.250 nan 0.000 0.451 2055 F N 2.351 122.175 119.950 -0.211 0.000 2.134 2055 F HA -0.239 4.304 4.527 0.025 0.000 0.299 2055 F C 2.384 177.984 175.800 -0.333 0.000 1.097 2055 F CA 1.988 59.772 58.000 -0.360 0.000 1.264 2055 F CB -0.855 37.621 39.000 -0.873 0.000 1.001 2055 F HN 0.055 nan 8.300 nan 0.000 0.479 2056 T N -2.175 112.088 114.554 -0.486 0.000 2.803 2056 T HA -0.219 4.146 4.350 0.024 0.000 0.269 2056 T C 1.731 176.210 174.700 -0.369 0.000 1.052 2056 T CA 1.736 63.539 62.100 -0.495 0.000 1.136 2056 T CB -0.701 67.954 68.868 -0.356 0.000 0.864 2056 T HN 0.522 nan 8.240 nan 0.000 0.467 2057 E N 0.550 120.593 120.200 -0.262 0.000 2.107 2057 E HA -0.050 4.315 4.350 0.024 0.000 0.191 2057 E C 2.463 178.948 176.600 -0.192 0.000 0.982 2057 E CA 0.756 57.047 56.400 -0.182 0.000 0.809 2057 E CB -0.118 29.513 29.700 -0.115 0.000 0.756 2057 E HN 0.331 nan 8.360 nan 0.000 0.459 2058 R N 1.014 121.382 120.500 -0.219 0.000 2.096 2058 R HA -0.107 4.248 4.340 0.024 0.000 0.235 2058 R C 2.039 178.180 176.300 -0.266 0.000 1.127 2058 R CA 1.047 57.037 56.100 -0.183 0.000 0.968 2058 R CB -0.688 29.555 30.300 -0.095 0.000 0.861 2058 R HN 0.006 nan 8.270 nan 0.000 0.440 2059 V N 1.237 120.867 119.914 -0.472 0.000 2.343 2059 V HA -0.253 3.882 4.120 0.024 0.000 0.247 2059 V C 2.425 178.376 176.094 -0.238 0.000 1.051 2059 V CA 2.248 64.300 62.300 -0.413 0.000 1.036 2059 V CB -0.577 30.920 31.823 -0.543 0.000 0.654 2059 V HN 0.437 nan 8.190 nan 0.000 0.451 2060 K N 0.192 120.458 120.400 -0.223 0.000 2.057 2060 K HA -0.269 4.066 4.320 0.024 0.000 0.207 2060 K C 2.235 178.761 176.600 -0.123 0.000 1.049 2060 K CA 2.093 58.285 56.287 -0.158 0.000 0.931 2060 K CB -0.167 32.248 32.500 -0.142 0.000 0.714 2060 K HN 0.610 nan 8.250 nan 0.000 0.440 2061 E N 0.621 120.750 120.200 -0.119 0.000 2.051 2061 E HA -0.190 4.174 4.350 0.024 0.000 0.192 2061 E C 2.023 178.577 176.600 -0.077 0.000 0.991 2061 E CA 1.154 57.502 56.400 -0.086 0.000 0.799 2061 E CB -0.076 29.579 29.700 -0.075 0.000 0.748 2061 E HN 0.359 nan 8.360 nan 0.000 0.449 2062 L N 0.496 121.666 121.223 -0.088 0.000 2.275 2062 L HA -0.076 4.279 4.340 0.024 0.000 0.215 2062 L C 2.365 179.195 176.870 -0.067 0.000 1.119 2062 L CA 1.493 56.293 54.840 -0.067 0.000 0.790 2062 L CB -0.226 41.794 42.059 -0.065 0.000 0.919 2062 L HN 0.335 nan 8.230 nan 0.000 0.443 2063 T N -5.984 108.518 114.554 -0.086 0.000 3.092 2063 T HA 0.075 4.440 4.350 0.024 0.000 0.258 2063 T C 0.380 175.034 174.700 -0.077 0.000 1.031 2063 T CA -0.315 61.733 62.100 -0.087 0.000 0.925 2063 T CB 0.062 68.859 68.868 -0.118 0.000 1.036 2063 T HN 0.196 nan 8.240 nan 0.000 0.544 2064 D N 1.335 121.693 120.400 -0.070 0.000 2.800 2064 D HA -0.170 4.485 4.640 0.024 0.000 0.232 2064 D C 1.291 177.552 176.300 -0.065 0.000 1.137 2064 D CA 1.366 55.330 54.000 -0.061 0.000 0.718 2064 D CB -1.723 39.047 40.800 -0.050 0.000 1.084 2064 D HN 0.929 nan 8.370 nan 0.000 0.432 2065 G N -0.250 108.503 108.800 -0.079 0.000 2.184 2065 G HA2 -0.449 3.526 3.960 0.024 0.000 0.264 2065 G HA3 -0.449 3.526 3.960 0.024 0.000 0.264 2065 G C 0.993 175.843 174.900 -0.083 0.000 0.975 2065 G CA 0.942 45.993 45.100 -0.082 0.000 0.642 2065 G HN 0.509 nan 8.290 nan 0.000 0.536 2066 Q N -1.347 118.407 119.800 -0.076 0.000 2.167 2066 Q HA 0.232 4.587 4.340 0.024 0.000 0.202 2066 Q C 0.928 176.896 176.000 -0.053 0.000 0.970 2066 Q CA 1.062 56.836 55.803 -0.047 0.000 0.855 2066 Q CB 0.199 28.921 28.738 -0.028 0.000 0.911 2066 Q HN 0.554 nan 8.270 nan 0.000 0.438 2067 L N 1.011 122.144 121.223 -0.150 0.000 2.343 2067 L HA 0.334 4.689 4.340 0.024 0.000 0.278 2067 L C -1.374 175.350 176.870 -0.243 0.000 0.996 2067 L CA -0.209 54.464 54.840 -0.279 0.000 0.831 2067 L CB 1.727 43.513 42.059 -0.455 0.000 1.232 2067 L HN -0.117 nan 8.230 nan 0.000 0.413 2068 E N 4.134 124.204 120.200 -0.216 0.000 2.187 2068 E HA 0.532 4.897 4.350 0.024 0.000 0.268 2068 E C -1.325 175.218 176.600 -0.096 0.000 0.896 2068 E CA -0.886 55.426 56.400 -0.147 0.000 0.766 2068 E CB 2.762 32.404 29.700 -0.097 0.000 1.142 2068 E HN 0.364 nan 8.360 nan 0.000 0.408 2069 V N 3.098 122.970 119.914 -0.071 0.000 2.398 2069 V HA 0.155 4.290 4.120 0.024 0.000 0.286 2069 V C -0.106 176.001 176.094 0.021 0.000 1.026 2069 V CA -0.589 61.742 62.300 0.052 0.000 0.868 2069 V CB 1.461 33.324 31.823 0.067 0.000 0.982 2069 V HN 0.634 nan 8.190 nan 0.000 0.443 2070 Q N 7.699 127.566 119.800 0.113 0.000 2.360 2070 Q HA 0.372 4.727 4.340 0.024 0.000 0.254 2070 Q C -2.490 173.522 176.000 0.021 0.000 0.975 2070 Q CA -1.844 53.970 55.803 0.018 0.000 0.912 2070 Q CB 1.899 30.682 28.738 0.076 0.000 1.212 2070 Q HN 0.485 nan 8.270 nan 0.000 0.452 2071 P HA 0.209 nan 4.420 nan 0.000 0.284 2071 P C -1.256 176.044 177.300 0.001 0.000 1.253 2071 P CA -0.111 63.072 63.100 0.138 0.000 0.800 2071 P CB 0.599 32.280 31.700 -0.031 0.000 0.961 2072 F N 3.221 123.520 119.950 0.583 0.000 2.547 2072 F HA 0.408 4.950 4.527 0.024 0.000 0.316 2072 F C -1.929 174.102 175.800 0.384 0.000 1.121 2072 F CA -2.220 56.011 58.000 0.385 0.000 0.911 2072 F CB 2.442 41.583 39.000 0.235 0.000 1.179 2072 F HN 0.179 nan 8.300 nan 0.000 0.443 2073 P HA 0.245 nan 4.420 nan 0.000 0.276 2073 P C -0.815 176.515 177.300 0.050 0.000 1.252 2073 P CA -0.389 62.653 63.100 -0.097 0.000 0.802 2073 P CB 0.945 32.243 31.700 -0.670 0.000 1.035 2074 A N 0.695 123.534 122.820 0.032 0.000 2.567 2074 A HA 0.350 4.684 4.320 0.024 0.000 0.240 2074 A C 1.533 179.121 177.584 0.007 0.000 1.053 2074 A CA 0.972 53.026 52.037 0.029 0.000 0.755 2074 A CB -1.773 17.252 19.000 0.041 0.000 0.978 2074 A HN 0.908 nan 8.150 nan 0.000 0.507 2075 G N 0.924 109.726 108.800 0.005 0.000 2.179 2075 G HA2 -0.071 3.904 3.960 0.024 0.000 0.260 2075 G HA3 -0.071 3.904 3.960 0.024 0.000 0.260 2075 G C 1.188 176.098 174.900 0.018 0.000 0.977 2075 G CA 1.223 46.320 45.100 -0.005 0.000 0.641 2075 G HN 1.999 nan 8.290 nan 0.000 0.533 2076 A N -0.695 122.160 122.820 0.059 0.000 1.898 2076 A HA 0.382 4.716 4.320 0.024 0.000 0.216 2076 A C 2.496 180.105 177.584 0.041 0.000 1.181 2076 A CA 2.869 54.967 52.037 0.101 0.000 0.620 2076 A CB -0.208 18.946 19.000 0.256 0.000 0.819 2076 A HN 1.103 nan 8.150 nan 0.000 0.442 2077 V N -1.486 118.408 119.914 -0.033 0.000 2.806 2077 V HA 0.177 4.312 4.120 0.024 0.000 0.239 2077 V C 0.785 176.841 176.094 -0.064 0.000 1.113 2077 V CA 1.122 63.345 62.300 -0.128 0.000 1.137 2077 V CB 0.133 31.767 31.823 -0.316 0.000 0.865 2077 V HN 0.553 nan 8.190 nan 0.000 0.482 2078 V N -2.888 117.005 119.914 -0.035 0.000 3.181 2078 V HA 0.942 5.077 4.120 0.024 0.000 0.308 2078 V C 0.107 176.202 176.094 0.002 0.000 1.214 2078 V CA -0.421 61.874 62.300 -0.008 0.000 1.053 2078 V CB 0.985 32.812 31.823 0.005 0.000 1.069 2078 V HN 0.280 nan 8.190 nan 0.000 0.441 2079 G N 0.255 109.058 108.800 0.005 0.000 2.594 2079 G HA2 0.408 4.383 3.960 0.024 0.000 0.243 2079 G HA3 0.408 4.383 3.960 0.024 0.000 0.243 2079 G C 0.738 175.620 174.900 -0.030 0.000 1.229 2079 G CA 0.538 45.621 45.100 -0.029 0.000 0.843 2079 G HN 1.088 nan 8.290 nan 0.000 0.578 2080 T N 1.415 115.875 114.554 -0.156 0.000 2.699 2080 T HA -0.178 4.186 4.350 0.024 0.000 0.268 2080 T C 1.818 176.532 174.700 0.024 0.000 1.036 2080 T CA 1.583 63.592 62.100 -0.152 0.000 1.147 2080 T CB -0.270 68.362 68.868 -0.393 0.000 0.862 2080 T HN 0.386 nan 8.240 nan 0.000 0.446 2081 F N 1.526 121.540 119.950 0.106 0.000 2.748 2081 F HA 0.121 4.662 4.527 0.024 0.000 0.299 2081 F C 1.737 177.726 175.800 0.315 0.000 1.154 2081 F CA -0.347 57.775 58.000 0.203 0.000 1.446 2081 F CB -0.369 38.649 39.000 0.030 0.000 1.112 2081 F HN 0.169 nan 8.300 nan 0.000 0.584 2082 D N -0.757 119.841 120.400 0.331 0.000 2.349 2082 D HA 0.065 4.720 4.640 0.024 0.000 0.214 2082 D C 2.157 178.568 176.300 0.186 0.000 1.063 2082 D CA 0.273 54.406 54.000 0.221 0.000 0.847 2082 D CB 0.036 40.913 40.800 0.127 0.000 0.933 2082 D HN 0.284 nan 8.370 nan 0.000 0.513 2083 M N -0.292 119.477 119.600 0.282 0.000 2.175 2083 M HA -0.108 4.386 4.480 0.024 0.000 0.264 2083 M C 1.999 178.326 176.300 0.044 0.000 1.063 2083 M CA 1.062 56.478 55.300 0.192 0.000 1.119 2083 M CB -0.286 32.498 32.600 0.307 0.000 1.377 2083 M HN -0.007 nan 8.290 nan 0.000 0.415 2084 F N 1.978 121.711 119.950 -0.361 0.000 2.065 2084 F HA -0.312 4.230 4.527 0.025 0.000 0.298 2084 F C 2.033 177.648 175.800 -0.309 0.000 1.112 2084 F CA 1.982 59.580 58.000 -0.671 0.000 1.212 2084 F CB -0.226 37.965 39.000 -1.348 0.000 0.975 2084 F HN 0.169 nan 8.300 nan 0.000 0.476 2085 D N 0.370 120.822 120.400 0.087 0.000 2.144 2085 D HA -0.148 4.506 4.640 0.024 0.000 0.200 2085 D C 2.352 178.632 176.300 -0.033 0.000 0.978 2085 D CA 1.354 55.383 54.000 0.047 0.000 0.833 2085 D CB -0.698 40.153 40.800 0.085 0.000 0.961 2085 D HN 0.409 nan 8.370 nan 0.000 0.470 2086 A N 0.846 123.653 122.820 -0.022 0.000 1.933 2086 A HA -0.138 4.197 4.320 0.024 0.000 0.218 2086 A C 2.548 180.086 177.584 -0.077 0.000 1.175 2086 A CA 1.183 53.198 52.037 -0.038 0.000 0.628 2086 A CB -0.668 18.320 19.000 -0.020 0.000 0.814 2086 A HN 0.150 nan 8.150 nan 0.000 0.444 2087 V N -0.028 119.814 119.914 -0.120 0.000 2.379 2087 V HA -0.227 3.908 4.120 0.024 0.000 0.245 2087 V C 2.406 178.395 176.094 -0.175 0.000 1.044 2087 V CA 2.190 64.398 62.300 -0.154 0.000 1.036 2087 V CB -0.626 31.082 31.823 -0.192 0.000 0.664 2087 V HN 0.531 nan 8.190 nan 0.000 0.453 2088 K N 0.574 120.836 120.400 -0.229 0.000 2.063 2088 K HA -0.173 4.161 4.320 0.024 0.000 0.208 2088 K C 2.134 178.675 176.600 -0.099 0.000 1.048 2088 K CA 1.993 58.167 56.287 -0.188 0.000 0.928 2088 K CB -0.476 31.900 32.500 -0.206 0.000 0.713 2088 K HN 0.693 nan 8.250 nan 0.000 0.442 2089 T N -3.133 111.375 114.554 -0.076 0.000 3.088 2089 T HA 0.131 4.496 4.350 0.024 0.000 0.259 2089 T C 1.377 176.053 174.700 -0.039 0.000 1.122 2089 T CA 0.691 62.765 62.100 -0.043 0.000 1.095 2089 T CB 0.375 69.227 68.868 -0.026 0.000 0.930 2089 T HN 0.382 nan 8.240 nan 0.000 0.508 2090 G N 0.197 108.965 108.800 -0.053 0.000 2.176 2090 G HA2 -0.282 3.693 3.960 0.024 0.000 0.232 2090 G HA3 -0.282 3.693 3.960 0.024 0.000 0.232 2090 G C 0.844 175.721 174.900 -0.038 0.000 0.986 2090 G CA 0.105 45.179 45.100 -0.042 0.000 0.643 2090 G HN 0.490 nan 8.290 nan 0.000 0.522 2091 V N 0.067 119.954 119.914 -0.046 0.000 2.490 2091 V HA 0.192 4.327 4.120 0.024 0.000 0.250 2091 V C 1.497 177.548 176.094 -0.072 0.000 1.061 2091 V CA 1.989 64.257 62.300 -0.054 0.000 1.064 2091 V CB -0.212 31.579 31.823 -0.053 0.000 0.670 2091 V HN 0.433 nan 8.190 nan 0.000 0.461 2092 L N -0.769 120.415 121.223 -0.065 0.000 2.354 2092 L HA 0.455 4.810 4.340 0.024 0.000 0.264 2092 L C 0.443 177.279 176.870 -0.056 0.000 1.008 2092 L CA -0.564 54.246 54.840 -0.051 0.000 0.819 2092 L CB 2.128 44.164 42.059 -0.037 0.000 1.339 2092 L HN -0.050 nan 8.230 nan 0.000 0.420 2093 D N 0.821 121.195 120.400 -0.043 0.000 2.305 2093 D HA 0.176 4.831 4.640 0.024 0.000 0.206 2093 D C 0.555 176.699 176.300 -0.260 0.000 0.974 2093 D CA 0.586 54.473 54.000 -0.188 0.000 0.871 2093 D CB 1.218 41.878 40.800 -0.233 0.000 0.947 2093 D HN 0.666 nan 8.370 nan 0.000 0.516 2094 G N 0.321 109.074 108.800 -0.079 0.000 2.608 2094 G HA2 0.574 4.548 3.960 0.024 0.000 0.291 2094 G HA3 0.574 4.548 3.960 0.024 0.000 0.291 2094 G C -1.347 173.599 174.900 0.076 0.000 1.425 2094 G CA -0.756 44.326 45.100 -0.029 0.000 0.787 2094 G HN 0.026 nan 8.290 nan 0.000 0.484 2095 M N -0.493 119.138 119.600 0.051 0.000 2.575 2095 M HA 0.610 5.105 4.480 0.024 0.000 0.284 2095 M C -1.528 174.647 176.300 -0.208 0.000 1.253 2095 M CA -0.991 54.310 55.300 0.001 0.000 0.861 2095 M CB 2.742 35.371 32.600 0.048 0.000 1.733 2095 M HN 0.467 nan 8.290 nan 0.000 0.462 2096 N N 2.683 121.141 118.700 -0.405 0.000 2.841 2096 N HA 0.469 5.224 4.740 0.024 0.000 0.257 2096 N C -3.143 171.962 175.510 -0.676 0.000 1.396 2096 N CA -1.180 51.377 53.050 -0.822 0.000 0.823 2096 N CB 1.864 39.662 38.487 -1.148 0.000 1.162 2096 N HN 0.516 nan 8.380 nan 0.000 0.503 2097 P HA 0.438 nan 4.420 nan 0.000 0.317 2097 P C -1.069 175.736 177.300 -0.825 0.000 1.301 2097 P CA -0.574 62.235 63.100 -0.486 0.000 0.799 2097 P CB 1.280 32.994 31.700 0.024 0.000 1.344 2098 F N -0.362 119.130 119.950 -0.764 0.000 2.404 2098 F HA 0.217 4.760 4.527 0.026 0.000 0.358 2098 F C 1.956 177.275 175.800 -0.800 0.000 1.120 2098 F CA 0.298 57.772 58.000 -0.876 0.000 1.144 2098 F CB 0.192 38.447 39.000 -1.242 0.000 1.133 2098 F HN 0.158 nan 8.300 nan 0.000 0.495 2099 T N 2.860 117.236 114.554 -0.297 0.000 2.699 2099 T HA -0.217 4.148 4.350 0.024 0.000 0.268 2099 T C 1.917 176.491 174.700 -0.211 0.000 1.036 2099 T CA 1.637 63.666 62.100 -0.118 0.000 1.147 2099 T CB -0.306 68.653 68.868 0.151 0.000 0.862 2099 T HN 0.520 nan 8.240 nan 0.000 0.446 2100 L N -1.120 119.971 121.223 -0.221 0.000 2.633 2100 L HA 0.151 4.506 4.340 0.024 0.000 0.235 2100 L C 1.635 178.410 176.870 -0.158 0.000 1.163 2100 L CA 0.857 55.597 54.840 -0.167 0.000 0.859 2100 L CB -1.681 40.274 42.059 -0.173 0.000 0.973 2100 L HN 0.056 nan 8.230 nan 0.000 0.451 2101 Y N -0.571 119.423 120.300 -0.509 0.000 2.421 2101 Y HA -0.069 4.495 4.550 0.024 0.000 0.292 2101 Y C 1.396 177.018 175.900 -0.463 0.000 1.136 2101 Y CA 0.137 57.869 58.100 -0.612 0.000 1.255 2101 Y CB -0.881 37.009 38.460 -0.950 0.000 0.991 2101 Y HN 0.366 nan 8.280 nan 0.000 0.552 2102 W N -1.370 120.040 121.300 0.183 0.000 3.330 2102 W HA 0.423 5.099 4.660 0.027 0.000 0.348 2102 W C 1.993 178.496 176.519 -0.026 0.000 1.205 2102 W CA 0.169 57.505 57.345 -0.015 0.000 1.841 2102 W CB -0.271 29.161 29.460 -0.046 0.000 1.084 2102 W HN -0.124 nan 8.180 nan 0.000 0.665 2103 A N 1.038 123.947 122.820 0.148 0.000 1.978 2103 A HA -0.123 4.211 4.320 0.024 0.000 0.220 2103 A C 2.266 180.023 177.584 0.288 0.000 1.170 2103 A CA 1.991 54.136 52.037 0.180 0.000 0.636 2103 A CB -1.149 17.850 19.000 -0.003 0.000 0.810 2103 A HN 0.385 nan 8.150 nan 0.000 0.448 2104 G N -0.192 108.718 108.800 0.185 0.000 2.484 2104 G HA2 -0.119 3.856 3.960 0.024 0.000 0.218 2104 G HA3 -0.119 3.856 3.960 0.024 0.000 0.218 2104 G C 1.628 176.563 174.900 0.057 0.000 1.130 2104 G CA 0.924 46.106 45.100 0.136 0.000 0.784 2104 G HN 0.764 nan 8.290 nan 0.000 0.543 2105 R N -1.523 118.990 120.500 0.022 0.000 2.250 2105 R HA 0.421 4.776 4.340 0.024 0.000 0.194 2105 R C 0.569 176.850 176.300 -0.032 0.000 0.927 2105 R CA 0.016 56.084 56.100 -0.053 0.000 1.052 2105 R CB 0.236 30.419 30.300 -0.196 0.000 1.055 2105 R HN 0.239 nan 8.270 nan 0.000 0.537 2106 M N 1.645 121.256 119.600 0.018 0.000 1.980 2106 M HA 0.331 4.826 4.480 0.024 0.000 0.282 2106 M C -2.296 174.092 176.300 0.146 0.000 0.878 2106 M CA -2.186 53.132 55.300 0.030 0.000 0.900 2106 M CB 2.595 35.151 32.600 -0.072 0.000 1.577 2106 M HN -0.203 nan 8.290 nan 0.000 0.396 2107 P HA -0.183 nan 4.420 nan 0.000 0.217 2107 P C 1.510 179.057 177.300 0.410 0.000 1.148 2107 P CA 0.955 64.274 63.100 0.364 0.000 0.828 2107 P CB 0.301 32.153 31.700 0.253 0.000 0.783 2108 V N 0.140 120.235 119.914 0.302 0.000 2.594 2108 V HA -0.221 3.914 4.120 0.024 0.000 0.253 2108 V C 2.151 178.435 176.094 0.317 0.000 1.069 2108 V CA 2.763 65.267 62.300 0.339 0.000 1.082 2108 V CB -1.624 30.324 31.823 0.208 0.000 0.680 2108 V HN 0.299 nan 8.190 nan 0.000 0.469 2109 T N -2.060 112.623 114.554 0.216 0.000 3.007 2109 T HA -0.010 4.355 4.350 0.024 0.000 0.270 2109 T C 1.775 176.529 174.700 0.090 0.000 1.107 2109 T CA 1.171 63.395 62.100 0.206 0.000 1.118 2109 T CB -0.466 68.552 68.868 0.250 0.000 0.889 2109 T HN 0.585 nan 8.240 nan 0.000 0.506 2110 A N 0.355 123.164 122.820 -0.018 0.000 2.119 2110 A HA 0.306 4.641 4.320 0.024 0.000 0.217 2110 A C 1.438 178.711 177.584 -0.519 0.000 1.153 2110 A CA 0.410 52.213 52.037 -0.390 0.000 0.692 2110 A CB -0.792 17.752 19.000 -0.760 0.000 0.799 2110 A HN 0.585 nan 8.150 nan 0.000 0.458 2111 F N -1.124 118.830 119.950 0.007 0.000 2.664 2111 F HA 0.330 4.872 4.527 0.025 0.000 0.303 2111 F C 1.027 176.963 175.800 0.226 0.000 1.092 2111 F CA 0.115 58.164 58.000 0.081 0.000 1.305 2111 F CB 0.347 39.330 39.000 -0.027 0.000 1.054 2111 F HN 0.032 nan 8.300 nan 0.000 0.565 2112 L N -1.070 120.356 121.223 0.339 0.000 2.741 2112 L HA 0.281 4.635 4.340 0.024 0.000 0.237 2112 L C 0.454 177.482 176.870 0.263 0.000 1.178 2112 L CA 0.137 55.262 54.840 0.475 0.000 0.973 2112 L CB 0.069 42.409 42.059 0.467 0.000 1.255 2112 L HN 0.022 nan 8.230 nan 0.000 0.498 2113 S N -0.920 114.717 115.700 -0.105 0.000 2.588 2113 S HA 0.407 4.892 4.470 0.024 0.000 0.269 2113 S C -0.360 173.822 174.600 -0.697 0.000 1.157 2113 S CA -0.539 57.356 58.200 -0.507 0.000 0.824 2113 S CB 1.606 64.651 63.200 -0.257 0.000 1.126 2113 S HN 0.191 nan 8.310 nan 0.000 0.464 2114 S N 1.728 116.907 115.700 -0.869 0.000 2.573 2114 S HA 0.518 5.003 4.470 0.024 0.000 0.277 2114 S C -0.556 173.916 174.600 -0.212 0.000 1.346 2114 S CA -0.010 57.869 58.200 -0.535 0.000 1.034 2114 S CB -0.180 62.755 63.200 -0.442 0.000 0.879 2114 S HN 0.891 nan 8.310 nan 0.000 0.528 2115 Y N -1.546 118.679 120.300 -0.125 0.000 2.609 2115 Y HA 0.778 5.343 4.550 0.024 0.000 0.342 2115 Y C -0.019 175.879 175.900 -0.004 0.000 1.058 2115 Y CA -1.584 56.425 58.100 -0.153 0.000 1.055 2115 Y CB 0.573 38.850 38.460 -0.305 0.000 1.292 2115 Y HN 0.877 nan 8.280 nan 0.000 0.476 2116 A N 2.734 125.685 122.820 0.218 0.000 2.572 2116 A HA 0.214 4.548 4.320 0.024 0.000 0.256 2116 A C 0.647 178.465 177.584 0.391 0.000 1.041 2116 A CA 0.534 52.693 52.037 0.202 0.000 0.790 2116 A CB -1.283 17.784 19.000 0.110 0.000 0.947 2116 A HN 1.159 nan 8.150 nan 0.000 0.518 2117 L N 0.629 121.981 121.223 0.216 0.000 4.001 2117 L HA -0.290 4.064 4.340 0.024 0.000 0.413 2117 L C 1.120 178.242 176.870 0.420 0.000 1.185 2117 L CA 0.429 55.438 54.840 0.281 0.000 0.963 2117 L CB -2.135 40.086 42.059 0.271 0.000 1.976 2117 L HN 0.981 nan 8.230 nan 0.000 0.939 2118 G N -0.403 108.464 108.800 0.111 0.000 2.849 2118 G HA2 0.661 4.636 3.960 0.024 0.000 0.174 2118 G HA3 0.661 4.636 3.960 0.024 0.000 0.174 2118 G C -0.010 174.875 174.900 -0.026 0.000 1.370 2118 G CA -0.938 44.059 45.100 -0.172 0.000 1.040 2118 G HN 0.061 nan 8.290 nan 0.000 0.582 2119 L N 1.296 122.351 121.223 -0.280 0.000 2.601 2119 L HA 0.084 4.439 4.340 0.024 0.000 0.277 2119 L C 0.283 177.236 176.870 0.138 0.000 1.219 2119 L CA 0.215 54.881 54.840 -0.289 0.000 0.915 2119 L CB 0.495 42.100 42.059 -0.755 0.000 1.160 2119 L HN 0.745 nan 8.230 nan 0.000 0.494 2120 D N 1.278 121.805 120.400 0.213 0.000 2.563 2120 D HA 0.139 4.794 4.640 0.024 0.000 0.237 2120 D C 0.218 176.652 176.300 0.224 0.000 1.282 2120 D CA -0.330 53.812 54.000 0.237 0.000 0.816 2120 D CB 0.435 41.356 40.800 0.201 0.000 1.066 2120 D HN 0.308 nan 8.370 nan 0.000 0.501 2121 R N 0.276 120.921 120.500 0.242 0.000 2.740 2121 R HA 0.413 4.768 4.340 0.024 0.000 0.282 2121 R C -2.084 174.400 176.300 0.307 0.000 0.969 2121 R CA -1.903 54.332 56.100 0.225 0.000 0.918 2121 R CB 1.873 32.274 30.300 0.169 0.000 1.175 2121 R HN -0.249 nan 8.270 nan 0.000 0.464 2122 P HA -0.237 nan 4.420 nan 0.000 0.216 2122 P C 0.416 177.961 177.300 0.409 0.000 1.153 2122 P CA 1.683 64.944 63.100 0.269 0.000 0.858 2122 P CB 0.127 31.877 31.700 0.082 0.000 0.789 2123 D N -1.109 119.486 120.400 0.324 0.000 2.218 2123 D HA -0.202 4.452 4.640 0.024 0.000 0.204 2123 D C 1.774 178.255 176.300 0.302 0.000 0.976 2123 D CA 0.997 55.172 54.000 0.291 0.000 0.853 2123 D CB -0.813 40.081 40.800 0.156 0.000 0.939 2123 D HN 0.238 nan 8.370 nan 0.000 0.481 2124 Q N -0.764 119.194 119.800 0.263 0.000 2.083 2124 Q HA -0.043 4.312 4.340 0.024 0.000 0.198 2124 Q C 1.534 177.700 176.000 0.276 0.000 0.969 2124 Q CA 1.064 56.999 55.803 0.219 0.000 0.838 2124 Q CB -0.218 28.448 28.738 -0.119 0.000 0.900 2124 Q HN 0.451 nan 8.270 nan 0.000 0.436 2125 W N 1.044 122.537 121.300 0.322 0.000 2.402 2125 W HA -0.126 4.547 4.660 0.021 0.000 0.286 2125 W C 2.190 179.069 176.519 0.599 0.000 1.221 2125 W CA 1.030 58.643 57.345 0.446 0.000 1.257 2125 W CB 0.047 29.715 29.460 0.347 0.000 1.120 2125 W HN 0.193 nan 8.180 nan 0.000 0.551 2126 E N -0.336 120.276 120.200 0.687 0.000 2.077 2126 E HA -0.163 4.202 4.350 0.024 0.000 0.193 2126 E C 2.067 179.008 176.600 0.568 0.000 0.989 2126 E CA 2.182 59.000 56.400 0.696 0.000 0.800 2126 E CB -0.466 29.636 29.700 0.670 0.000 0.746 2126 E HN -0.015 nan 8.360 nan 0.000 0.452 2127 T N -0.337 114.445 114.554 0.381 0.000 2.746 2127 T HA -0.165 4.199 4.350 0.024 0.000 0.267 2127 T C 1.174 175.911 174.700 0.061 0.000 1.039 2127 T CA 1.337 63.546 62.100 0.181 0.000 1.142 2127 T CB -0.561 68.348 68.868 0.068 0.000 0.866 2127 T HN 0.422 nan 8.240 nan 0.000 0.444 2128 W N 0.991 122.265 121.300 -0.044 0.000 2.355 2128 W HA -0.072 4.604 4.660 0.027 0.000 0.309 2128 W C 1.646 178.070 176.519 -0.158 0.000 1.206 2128 W CA 0.803 58.025 57.345 -0.205 0.000 1.284 2128 W CB -0.729 28.555 29.460 -0.294 0.000 1.145 2128 W HN 0.177 nan 8.180 nan 0.000 0.502 2129 F N -1.241 118.608 119.950 -0.168 0.000 2.102 2129 F HA -0.180 4.361 4.527 0.024 0.000 0.298 2129 F C 1.962 177.378 175.800 -0.640 0.000 1.105 2129 F CA 2.001 59.686 58.000 -0.524 0.000 1.239 2129 F CB -1.047 37.731 39.000 -0.370 0.000 0.991 2129 F HN -0.151 nan 8.300 nan 0.000 0.474 2130 Y N -1.710 118.665 120.300 0.126 0.000 2.500 2130 Y HA 0.021 4.585 4.550 0.024 0.000 0.270 2130 Y C 2.072 177.968 175.900 -0.007 0.000 1.134 2130 Y CA 0.631 58.781 58.100 0.083 0.000 1.293 2130 Y CB 0.102 38.677 38.460 0.191 0.000 1.063 2130 Y HN 0.058 nan 8.280 nan 0.000 0.534 2131 S N -2.234 113.469 115.700 0.004 0.000 2.648 2131 S HA 0.157 4.642 4.470 0.024 0.000 0.270 2131 S C 0.811 175.309 174.600 -0.169 0.000 1.080 2131 S CA -0.268 57.901 58.200 -0.051 0.000 1.159 2131 S CB -0.425 62.759 63.200 -0.028 0.000 1.091 2131 S HN 0.271 nan 8.310 nan 0.000 0.605 2132 L N 1.708 122.750 121.223 -0.302 0.000 2.628 2132 L HA 0.454 4.808 4.340 0.024 0.000 0.229 2132 L C 1.634 178.224 176.870 -0.466 0.000 1.137 2132 L CA 0.456 55.074 54.840 -0.371 0.000 0.909 2132 L CB -0.150 41.670 42.059 -0.399 0.000 1.137 2132 L HN 0.636 nan 8.230 nan 0.000 0.470 2133 G N -0.113 108.404 108.800 -0.472 0.000 2.175 2133 G HA2 -0.270 3.705 3.960 0.024 0.000 0.244 2133 G HA3 -0.270 3.705 3.960 0.024 0.000 0.244 2133 G C 0.946 175.446 174.900 -0.666 0.000 0.982 2133 G CA 0.176 45.016 45.100 -0.434 0.000 0.641 2133 G HN 0.440 nan 8.290 nan 0.000 0.527 2134 G N 0.417 108.437 108.800 -1.301 0.000 2.418 2134 G HA2 0.077 4.052 3.960 0.024 0.000 0.217 2134 G HA3 0.077 4.052 3.960 0.024 0.000 0.217 2134 G C 1.747 176.142 174.900 -0.843 0.000 1.158 2134 G CA 1.613 45.602 45.100 -1.852 0.000 0.771 2134 G HN 1.038 nan 8.290 nan 0.000 0.545 2135 L N 1.002 121.945 121.223 -0.467 0.000 2.042 2135 L HA -0.052 4.303 4.340 0.024 0.000 0.210 2135 L C 2.168 178.975 176.870 -0.105 0.000 1.076 2135 L CA 2.616 57.405 54.840 -0.084 0.000 0.749 2135 L CB -0.624 41.353 42.059 -0.137 0.000 0.893 2135 L HN 0.250 nan 8.230 nan 0.000 0.432 2136 D N -0.968 119.347 120.400 -0.142 0.000 2.178 2136 D HA -0.172 4.483 4.640 0.024 0.000 0.202 2136 D C 2.160 178.430 176.300 -0.050 0.000 0.974 2136 D CA 1.292 55.252 54.000 -0.066 0.000 0.841 2136 D CB -0.059 40.713 40.800 -0.046 0.000 0.953 2136 D HN 0.501 nan 8.370 nan 0.000 0.478 2137 I N 0.340 120.860 120.570 -0.083 0.000 2.179 2137 I HA -0.244 3.941 4.170 0.024 0.000 0.242 2137 I C 2.488 178.573 176.117 -0.054 0.000 1.088 2137 I CA 1.072 62.378 61.300 0.009 0.000 1.357 2137 I CB -0.423 37.609 38.000 0.052 0.000 1.051 2137 I HN 0.025 nan 8.210 nan 0.000 0.409 2138 A N 0.927 123.683 122.820 -0.107 0.000 1.908 2138 A HA -0.197 4.138 4.320 0.024 0.000 0.218 2138 A C 2.433 179.963 177.584 -0.089 0.000 1.181 2138 A CA 1.401 53.328 52.037 -0.183 0.000 0.627 2138 A CB -0.515 18.104 19.000 -0.636 0.000 0.818 2138 A HN 0.270 nan 8.150 nan 0.000 0.445 2139 R N -0.513 119.928 120.500 -0.098 0.000 2.083 2139 R HA -0.111 4.244 4.340 0.024 0.000 0.237 2139 R C 2.376 178.654 176.300 -0.037 0.000 1.137 2139 R CA 1.712 57.757 56.100 -0.092 0.000 0.951 2139 R CB -0.526 29.723 30.300 -0.086 0.000 0.851 2139 R HN 0.559 nan 8.270 nan 0.000 0.434 2140 R N 0.179 120.657 120.500 -0.037 0.000 2.073 2140 R HA -0.047 4.307 4.340 0.024 0.000 0.234 2140 R C 2.387 178.536 176.300 -0.253 0.000 1.134 2140 R CA 1.361 57.448 56.100 -0.022 0.000 0.952 2140 R CB -0.411 29.973 30.300 0.139 0.000 0.850 2140 R HN 0.214 nan 8.270 nan 0.000 0.433 2141 A N 0.581 123.016 122.820 -0.642 0.000 1.883 2141 A HA -0.172 4.163 4.320 0.024 0.000 0.217 2141 A C 1.932 179.251 177.584 -0.442 0.000 1.186 2141 A CA 1.338 52.757 52.037 -1.030 0.000 0.624 2141 A CB -0.656 17.760 19.000 -0.972 0.000 0.822 2141 A HN 0.237 nan 8.150 nan 0.000 0.444 2142 F N -0.030 119.779 119.950 -0.234 0.000 2.259 2142 F HA 0.003 4.544 4.527 0.024 0.000 0.298 2142 F C 2.719 178.471 175.800 -0.081 0.000 1.088 2142 F CA 0.843 58.780 58.000 -0.104 0.000 1.358 2142 F CB -0.257 38.704 39.000 -0.066 0.000 1.040 2142 F HN 0.258 nan 8.300 nan 0.000 0.505 2143 A N -0.237 122.641 122.820 0.096 0.000 1.972 2143 A HA -0.213 4.122 4.320 0.024 0.000 0.219 2143 A C 2.064 179.688 177.584 0.066 0.000 1.169 2143 A CA 1.694 53.787 52.037 0.094 0.000 0.635 2143 A CB -0.712 18.350 19.000 0.103 0.000 0.810 2143 A HN 0.416 nan 8.150 nan 0.000 0.446 2144 E N -0.573 119.645 120.200 0.031 0.000 2.265 2144 E HA -0.150 4.215 4.350 0.024 0.000 0.196 2144 E C 1.400 178.021 176.600 0.036 0.000 0.996 2144 E CA 0.859 57.285 56.400 0.043 0.000 0.832 2144 E CB 0.031 29.762 29.700 0.051 0.000 0.756 2144 E HN 0.576 nan 8.360 nan 0.000 0.491 2145 Q N -0.976 118.838 119.800 0.022 0.000 2.319 2145 Q HA 0.095 4.450 4.340 0.024 0.000 0.202 2145 Q C 0.870 176.858 176.000 -0.020 0.000 0.896 2145 Q CA 0.625 56.440 55.803 0.020 0.000 0.942 2145 Q CB 1.428 30.190 28.738 0.039 0.000 1.083 2145 Q HN 0.343 nan 8.270 nan 0.000 0.510 2146 G N 1.240 110.047 108.800 0.011 0.000 2.182 2146 G HA2 -0.239 3.735 3.960 0.024 0.000 0.248 2146 G HA3 -0.239 3.735 3.960 0.024 0.000 0.248 2146 G C -0.238 174.651 174.900 -0.017 0.000 1.042 2146 G CA 0.082 45.184 45.100 0.004 0.000 0.775 2146 G HN 0.248 nan 8.290 nan 0.000 0.501 2147 L N -1.282 119.955 121.223 0.023 0.000 2.388 2147 L HA 0.748 5.103 4.340 0.024 0.000 0.264 2147 L C -0.526 176.381 176.870 0.062 0.000 0.998 2147 L CA -1.319 53.528 54.840 0.010 0.000 0.817 2147 L CB 2.039 44.099 42.059 0.001 0.000 1.338 2147 L HN 0.070 nan 8.230 nan 0.000 0.414 2148 F N 2.205 122.043 119.950 -0.187 0.000 2.361 2148 F HA 0.342 4.884 4.527 0.025 0.000 0.364 2148 F C -0.554 175.025 175.800 -0.369 0.000 1.117 2148 F CA -0.636 57.164 58.000 -0.332 0.000 1.071 2148 F CB 0.709 39.259 39.000 -0.749 0.000 1.188 2148 F HN 0.316 nan 8.300 nan 0.000 0.464 2149 Y N 6.837 126.535 120.300 -1.002 0.000 2.452 2149 Y HA 0.346 4.910 4.550 0.024 0.000 0.348 2149 Y C 0.303 175.655 175.900 -0.913 0.000 0.985 2149 Y CA -0.236 57.334 58.100 -0.883 0.000 1.214 2149 Y CB 0.844 38.818 38.460 -0.811 0.000 1.136 2149 Y HN 0.521 nan 8.280 nan 0.000 0.523 2150 V N 5.393 124.843 119.914 -0.774 0.000 2.255 2150 V HA 0.155 4.289 4.120 0.024 0.000 0.243 2150 V C 1.195 177.064 176.094 -0.375 0.000 1.038 2150 V CA 1.536 63.612 62.300 -0.373 0.000 1.008 2150 V CB -0.920 30.910 31.823 0.012 0.000 0.645 2150 V HN 1.002 nan 8.190 nan 0.000 0.449 2151 G N -0.796 107.594 108.800 -0.683 0.000 2.368 2151 G HA2 0.423 4.398 3.960 0.024 0.000 0.293 2151 G HA3 0.423 4.398 3.960 0.024 0.000 0.293 2151 G C -3.402 171.133 174.900 -0.608 0.000 1.467 2151 G CA -0.591 44.213 45.100 -0.493 0.000 0.804 2151 G HN 0.038 nan 8.290 nan 0.000 0.535 2152 P HA 0.521 nan 4.420 nan 0.000 0.281 2152 P C -0.701 176.401 177.300 -0.330 0.000 1.249 2152 P CA -0.409 62.413 63.100 -0.463 0.000 0.810 2152 P CB 2.138 33.367 31.700 -0.785 0.000 1.008 2153 V N 3.442 123.177 119.914 -0.298 0.000 2.378 2153 V HA 0.147 4.282 4.120 0.024 0.000 0.288 2153 V C 0.609 176.545 176.094 -0.264 0.000 1.016 2153 V CA -0.597 61.525 62.300 -0.297 0.000 0.840 2153 V CB 1.242 32.878 31.823 -0.312 0.000 0.994 2153 V HN 0.518 nan 8.190 nan 0.000 0.431 2154 Q N 3.557 123.149 119.800 -0.348 0.000 2.421 2154 Q HA 0.213 4.568 4.340 0.024 0.000 0.255 2154 Q C 0.267 176.383 176.000 0.193 0.000 1.013 2154 Q CA 0.314 55.961 55.803 -0.262 0.000 0.895 2154 Q CB 1.429 29.637 28.738 -0.883 0.000 1.271 2154 Q HN 0.966 nan 8.270 nan 0.000 0.460 2155 H N -0.724 118.474 119.070 0.214 0.000 4.156 2155 H HA 0.132 4.704 4.556 0.026 0.000 0.114 2155 H C -0.701 174.721 175.328 0.156 0.000 1.220 2155 H CA 0.038 56.249 56.048 0.272 0.000 0.976 2155 H CB 1.497 31.428 29.762 0.282 0.000 1.136 2155 H HN 0.622 nan 8.280 nan 0.000 0.197 2156 D N -0.102 120.061 120.400 -0.395 0.000 2.808 2156 D HA 0.211 4.866 4.640 0.024 0.000 0.294 2156 D C -1.174 174.934 176.300 -0.319 0.000 1.278 2156 D CA -0.088 53.643 54.000 -0.447 0.000 0.756 2156 D CB 1.077 41.401 40.800 -0.794 0.000 1.271 2156 D HN 0.285 nan 8.370 nan 0.000 0.425 2157 L N -0.023 121.090 121.223 -0.184 0.000 2.469 2157 L HA 0.667 5.022 4.340 0.024 0.000 0.253 2157 L C 0.133 176.901 176.870 -0.169 0.000 1.143 2157 L CA -0.359 54.395 54.840 -0.143 0.000 0.804 2157 L CB 0.094 42.121 42.059 -0.053 0.000 1.214 2157 L HN 0.326 nan 8.230 nan 0.000 0.476 2158 N N -0.490 118.112 118.700 -0.164 0.000 2.292 2158 N HA 0.774 5.529 4.740 0.024 0.000 0.303 2158 N C -1.080 174.457 175.510 0.044 0.000 1.140 2158 N CA -0.875 52.128 53.050 -0.078 0.000 0.788 2158 N CB 2.582 41.012 38.487 -0.095 0.000 1.361 2158 N HN 0.769 nan 8.380 nan 0.000 0.489 2159 I N -1.852 118.810 120.570 0.154 0.000 2.957 2159 I HA 0.623 4.808 4.170 0.024 0.000 0.310 2159 I C -1.115 175.128 176.117 0.210 0.000 1.063 2159 I CA -0.990 60.418 61.300 0.180 0.000 1.033 2159 I CB 1.828 39.889 38.000 0.102 0.000 1.230 2159 I HN 0.360 nan 8.210 nan 0.000 0.447 2160 I N 2.665 123.307 120.570 0.120 0.000 2.441 2160 I HA 0.408 4.593 4.170 0.024 0.000 0.295 2160 I C -0.523 175.558 176.117 -0.060 0.000 0.994 2160 I CA -0.525 60.827 61.300 0.087 0.000 1.144 2160 I CB 1.417 39.459 38.000 0.071 0.000 1.314 2160 I HN 0.510 nan 8.210 nan 0.000 0.445 2161 H N 3.659 122.786 119.070 0.095 0.000 2.469 2161 H HA 0.487 5.060 4.556 0.028 0.000 0.342 2161 H C -0.835 174.506 175.328 0.021 0.000 1.115 2161 H CA -0.399 55.701 56.048 0.087 0.000 1.204 2161 H CB 2.319 32.147 29.762 0.111 0.000 1.492 2161 H HN 0.460 nan 8.280 nan 0.000 0.499 2162 S N 1.430 117.218 115.700 0.147 0.000 2.549 2162 S HA 0.219 4.703 4.470 0.024 0.000 0.280 2162 S C 0.656 175.356 174.600 0.166 0.000 1.109 2162 S CA -0.815 57.438 58.200 0.089 0.000 0.905 2162 S CB 1.628 64.839 63.200 0.018 0.000 1.081 2162 S HN 0.678 nan 8.310 nan 0.000 0.477 2163 K N 1.386 121.840 120.400 0.090 0.000 2.167 2163 K HA 0.147 4.481 4.320 0.024 0.000 0.203 2163 K C 0.184 176.926 176.600 0.237 0.000 1.052 2163 K CA 0.806 57.164 56.287 0.119 0.000 0.956 2163 K CB 0.085 32.597 32.500 0.020 0.000 0.735 2163 K HN 0.400 nan 8.250 nan 0.000 0.451 2164 K N 0.710 121.169 120.400 0.099 0.000 2.281 2164 K HA 0.315 4.649 4.320 0.024 0.000 0.242 2164 K C -2.772 173.610 176.600 -0.363 0.000 0.971 2164 K CA -2.420 53.841 56.287 -0.042 0.000 0.834 2164 K CB 1.635 34.087 32.500 -0.081 0.000 1.181 2164 K HN -0.272 nan 8.250 nan 0.000 0.435 2165 P HA 0.133 nan 4.420 nan 0.000 0.271 2165 P C -0.832 176.217 177.300 -0.418 0.000 1.216 2165 P CA 0.144 62.757 63.100 -0.811 0.000 0.776 2165 P CB 0.437 31.687 31.700 -0.750 0.000 0.881 2166 I N 3.765 124.122 120.570 -0.355 0.000 2.466 2166 I HA 0.301 4.485 4.170 0.024 0.000 0.279 2166 I C 1.066 177.047 176.117 -0.226 0.000 1.033 2166 I CA -0.318 60.769 61.300 -0.355 0.000 1.123 2166 I CB 1.538 39.218 38.000 -0.533 0.000 1.237 2166 I HN 0.249 nan 8.210 nan 0.000 0.460 2167 R N 5.037 125.441 120.500 -0.160 0.000 2.365 2167 R HA 0.266 4.620 4.340 0.024 0.000 0.223 2167 R C 0.195 176.505 176.300 0.016 0.000 0.899 2167 R CA -0.025 56.037 56.100 -0.062 0.000 1.059 2167 R CB 0.596 30.856 30.300 -0.068 0.000 1.086 2167 R HN 0.580 nan 8.270 nan 0.000 0.522 2168 R N -1.821 118.697 120.500 0.031 0.000 2.733 2168 R HA 0.143 4.498 4.340 0.024 0.000 0.272 2168 R C -0.073 176.368 176.300 0.235 0.000 1.029 2168 R CA -0.799 55.382 56.100 0.136 0.000 0.888 2168 R CB 0.069 30.423 30.300 0.091 0.000 1.251 2168 R HN -0.153 nan 8.270 nan 0.000 0.464 2169 F N 1.727 121.766 119.950 0.148 0.000 2.087 2169 F HA -0.203 4.334 4.527 0.016 0.000 0.299 2169 F C 1.441 177.323 175.800 0.136 0.000 1.100 2169 F CA 2.321 60.393 58.000 0.120 0.000 1.226 2169 F CB 0.056 38.968 39.000 -0.146 0.000 0.983 2169 F HN 0.743 nan 8.300 nan 0.000 0.479 2170 E N 0.164 120.420 120.200 0.093 0.000 2.265 2170 E HA -0.174 4.191 4.350 0.024 0.000 0.196 2170 E C 1.619 178.168 176.600 -0.084 0.000 0.996 2170 E CA 1.217 57.597 56.400 -0.034 0.000 0.832 2170 E CB -0.501 29.236 29.700 0.061 0.000 0.756 2170 E HN 0.451 nan 8.360 nan 0.000 0.491 2171 D N -0.664 119.681 120.400 -0.093 0.000 2.348 2171 D HA -0.084 4.571 4.640 0.024 0.000 0.216 2171 D C 0.823 176.958 176.300 -0.275 0.000 0.970 2171 D CA 0.507 54.393 54.000 -0.190 0.000 0.889 2171 D CB -0.097 40.552 40.800 -0.251 0.000 0.912 2171 D HN 0.222 nan 8.370 nan 0.000 0.524 2172 F N 0.981 120.848 119.950 -0.139 0.000 2.558 2172 F HA 0.034 4.567 4.527 0.011 0.000 0.298 2172 F C 1.326 177.059 175.800 -0.112 0.000 1.119 2172 F CA 0.253 58.195 58.000 -0.097 0.000 1.451 2172 F CB -0.107 38.861 39.000 -0.055 0.000 1.091 2172 F HN -0.290 nan 8.300 nan 0.000 0.563 2173 K N 0.376 120.769 120.400 -0.011 0.000 2.436 2173 K HA 0.219 4.554 4.320 0.024 0.000 0.282 2173 K C 1.181 177.768 176.600 -0.021 0.000 1.044 2173 K CA 0.923 57.195 56.287 -0.025 0.000 1.028 2173 K CB -0.040 32.430 32.500 -0.050 0.000 0.919 2173 K HN 0.388 nan 8.250 nan 0.000 0.474 2174 G N 2.240 111.037 108.800 -0.005 0.000 2.179 2174 G HA2 -0.248 3.726 3.960 0.024 0.000 0.260 2174 G HA3 -0.248 3.726 3.960 0.024 0.000 0.260 2174 G C 0.015 174.904 174.900 -0.019 0.000 0.977 2174 G CA 0.110 45.202 45.100 -0.014 0.000 0.641 2174 G HN 0.527 nan 8.290 nan 0.000 0.533 2175 V N 1.715 121.622 119.914 -0.012 0.000 2.508 2175 V HA 0.264 4.399 4.120 0.024 0.000 0.281 2175 V C 0.863 176.947 176.094 -0.017 0.000 1.041 2175 V CA 0.088 62.371 62.300 -0.028 0.000 1.016 2175 V CB 1.307 33.106 31.823 -0.040 0.000 0.984 2175 V HN 0.305 nan 8.190 nan 0.000 0.478 2176 K N 5.258 125.636 120.400 -0.037 0.000 2.292 2176 K HA 0.398 4.733 4.320 0.024 0.000 0.290 2176 K C -0.741 175.822 176.600 -0.061 0.000 1.083 2176 K CA -0.400 55.863 56.287 -0.040 0.000 0.918 2176 K CB 0.725 33.201 32.500 -0.041 0.000 1.089 2176 K HN 0.412 nan 8.250 nan 0.000 0.473 2177 L N 3.136 124.318 121.223 -0.069 0.000 2.333 2177 L HA 0.324 4.678 4.340 0.024 0.000 0.280 2177 L C -0.482 176.314 176.870 -0.123 0.000 1.004 2177 L CA -0.587 54.180 54.840 -0.121 0.000 0.820 2177 L CB 1.234 43.180 42.059 -0.188 0.000 1.247 2177 L HN 0.428 nan 8.230 nan 0.000 0.416 2178 R N 4.917 125.347 120.500 -0.117 0.000 2.298 2178 R HA 0.654 5.009 4.340 0.024 0.000 0.310 2178 R C -1.490 174.762 176.300 -0.080 0.000 1.068 2178 R CA -0.058 55.996 56.100 -0.078 0.000 0.957 2178 R CB 0.500 30.759 30.300 -0.067 0.000 1.003 2178 R HN 0.603 nan 8.270 nan 0.000 0.454 2179 V N 2.439 122.328 119.914 -0.040 0.000 3.188 2179 V HA 0.496 4.631 4.120 0.024 0.000 0.305 2179 V C -2.291 173.834 176.094 0.051 0.000 1.232 2179 V CA -1.659 60.638 62.300 -0.004 0.000 1.043 2179 V CB 2.223 34.023 31.823 -0.039 0.000 1.068 2179 V HN 0.640 nan 8.190 nan 0.000 0.439 2180 P HA 0.214 nan 4.420 nan 0.000 0.258 2180 P C 0.787 178.093 177.300 0.010 0.000 1.559 2180 P CA 1.301 64.471 63.100 0.116 0.000 0.855 2180 P CB -0.128 31.707 31.700 0.224 0.000 1.594 2181 G N 0.158 108.943 108.800 -0.024 0.000 2.601 2181 G HA2 -0.037 3.938 3.960 0.024 0.000 0.261 2181 G HA3 -0.037 3.938 3.960 0.024 0.000 0.261 2181 G C 0.447 175.306 174.900 -0.069 0.000 1.289 2181 G CA 0.131 45.206 45.100 -0.043 0.000 0.920 2181 G HN 0.665 nan 8.290 nan 0.000 0.571 2182 G N -1.559 107.205 108.800 -0.061 0.000 2.594 2182 G HA2 -0.188 3.786 3.960 0.024 0.000 0.297 2182 G HA3 -0.188 3.786 3.960 0.024 0.000 0.297 2182 G C 1.322 175.913 174.900 -0.516 0.000 1.273 2182 G CA 1.513 46.418 45.100 -0.326 0.000 0.974 2182 G HN 1.590 nan 8.290 nan 0.000 0.552 2183 M N -0.036 118.916 119.600 -1.080 0.000 2.229 2183 M HA -0.042 4.452 4.480 0.024 0.000 0.264 2183 M C 2.684 178.805 176.300 -0.298 0.000 1.063 2183 M CA 1.390 56.178 55.300 -0.853 0.000 1.114 2183 M CB -0.381 31.618 32.600 -1.002 0.000 1.387 2183 M HN 0.515 nan 8.290 nan 0.000 0.420 2184 I N 0.322 120.771 120.570 -0.201 0.000 2.127 2184 I HA -0.230 3.955 4.170 0.024 0.000 0.241 2184 I C 2.669 178.865 176.117 0.130 0.000 1.075 2184 I CA 1.740 63.044 61.300 0.007 0.000 1.334 2184 I CB -1.906 36.147 38.000 0.089 0.000 1.040 2184 I HN 0.205 nan 8.210 nan 0.000 0.405 2185 A N 0.200 123.076 122.820 0.093 0.000 1.933 2185 A HA -0.235 4.100 4.320 0.024 0.000 0.218 2185 A C 2.380 180.050 177.584 0.144 0.000 1.175 2185 A CA 1.752 53.877 52.037 0.146 0.000 0.628 2185 A CB -0.716 18.330 19.000 0.076 0.000 0.814 2185 A HN 0.512 nan 8.150 nan 0.000 0.444 2186 E N -0.304 119.957 120.200 0.101 0.000 2.077 2186 E HA -0.133 4.232 4.350 0.024 0.000 0.193 2186 E C 1.871 178.528 176.600 0.095 0.000 0.989 2186 E CA 1.349 57.829 56.400 0.134 0.000 0.800 2186 E CB -0.113 29.724 29.700 0.229 0.000 0.746 2186 E HN 0.341 nan 8.360 nan 0.000 0.452 2187 V N 0.385 120.316 119.914 0.028 0.000 2.343 2187 V HA -0.240 3.895 4.120 0.024 0.000 0.247 2187 V C 1.939 178.008 176.094 -0.041 0.000 1.051 2187 V CA 1.686 63.964 62.300 -0.036 0.000 1.036 2187 V CB -0.547 31.177 31.823 -0.164 0.000 0.654 2187 V HN 0.288 nan 8.190 nan 0.000 0.451 2188 F N 0.626 120.590 119.950 0.022 0.000 2.234 2188 F HA -0.034 4.506 4.527 0.021 0.000 0.299 2188 F C 2.369 178.171 175.800 0.004 0.000 1.087 2188 F CA 1.136 59.126 58.000 -0.017 0.000 1.340 2188 F CB -0.865 38.084 39.000 -0.086 0.000 1.031 2188 F HN 0.087 nan 8.300 nan 0.000 0.500 2189 A N -0.163 122.772 122.820 0.192 0.000 1.930 2189 A HA 0.017 4.351 4.320 0.024 0.000 0.217 2189 A C 2.367 180.001 177.584 0.084 0.000 1.175 2189 A CA 1.406 53.516 52.037 0.121 0.000 0.627 2189 A CB -1.160 17.902 19.000 0.104 0.000 0.815 2189 A HN 0.262 nan 8.150 nan 0.000 0.443 2190 A N -0.486 122.382 122.820 0.081 0.000 2.067 2190 A HA 0.299 4.634 4.320 0.024 0.000 0.219 2190 A C 2.059 179.672 177.584 0.047 0.000 1.158 2190 A CA 1.498 53.574 52.037 0.065 0.000 0.661 2190 A CB -0.553 18.489 19.000 0.071 0.000 0.801 2190 A HN 1.023 nan 8.150 nan 0.000 0.452 2191 A N -1.887 120.939 122.820 0.010 0.000 2.307 2191 A HA 0.450 4.784 4.320 0.024 0.000 0.218 2191 A C 1.625 179.125 177.584 -0.139 0.000 1.228 2191 A CA 1.024 52.953 52.037 -0.179 0.000 0.857 2191 A CB -0.795 17.978 19.000 -0.377 0.000 0.897 2191 A HN 1.744 nan 8.150 nan 0.000 0.495 2192 G N -1.918 106.872 108.800 -0.016 0.000 2.175 2192 G HA2 0.083 4.057 3.960 0.024 0.000 0.244 2192 G HA3 0.083 4.057 3.960 0.024 0.000 0.244 2192 G C 0.488 175.413 174.900 0.042 0.000 0.982 2192 G CA 0.191 45.292 45.100 0.002 0.000 0.641 2192 G HN 1.562 nan 8.290 nan 0.000 0.527 2193 A N 0.082 122.958 122.820 0.094 0.000 2.351 2193 A HA 0.731 5.065 4.320 0.024 0.000 0.257 2193 A C 0.683 178.306 177.584 0.064 0.000 1.087 2193 A CA 0.756 52.855 52.037 0.105 0.000 0.798 2193 A CB 0.660 19.767 19.000 0.177 0.000 1.033 2193 A HN 0.984 nan 8.150 nan 0.000 0.488 2194 S N 1.224 116.944 115.700 0.034 0.000 2.404 2194 S HA 0.432 4.917 4.470 0.024 0.000 0.309 2194 S C 0.432 175.036 174.600 0.007 0.000 1.076 2194 S CA -0.251 57.959 58.200 0.017 0.000 1.095 2194 S CB 0.334 63.535 63.200 0.002 0.000 0.972 2194 S HN 0.942 nan 8.310 nan 0.000 0.484 2195 T N 0.555 115.119 114.554 0.016 0.000 2.909 2195 T HA 0.687 5.051 4.350 0.024 0.000 0.289 2195 T C -0.159 174.534 174.700 -0.013 0.000 1.005 2195 T CA -0.643 61.457 62.100 -0.000 0.000 1.084 2195 T CB 0.824 69.709 68.868 0.028 0.000 0.975 2195 T HN 0.224 nan 8.240 nan 0.000 0.509 2196 V N 3.059 122.956 119.914 -0.028 0.000 2.760 2196 V HA 0.499 4.634 4.120 0.024 0.000 0.309 2196 V C -0.686 175.391 176.094 -0.029 0.000 1.077 2196 V CA -1.047 61.236 62.300 -0.028 0.000 0.910 2196 V CB 1.760 33.563 31.823 -0.032 0.000 1.008 2196 V HN 0.955 nan 8.190 nan 0.000 0.424 2197 L N 6.153 127.354 121.223 -0.037 0.000 2.275 2197 L HA 0.771 5.126 4.340 0.024 0.000 0.288 2197 L C -0.904 175.989 176.870 0.039 0.000 1.046 2197 L CA 0.344 55.151 54.840 -0.055 0.000 0.805 2197 L CB 0.689 42.639 42.059 -0.183 0.000 1.193 2197 L HN 0.606 nan 8.230 nan 0.000 0.426 2198 L N 6.291 127.593 121.223 0.132 0.000 2.556 2198 L HA 0.541 4.895 4.340 0.024 0.000 0.257 2198 L C -2.458 174.510 176.870 0.163 0.000 0.955 2198 L CA -1.623 53.318 54.840 0.169 0.000 0.850 2198 L CB 2.708 44.788 42.059 0.034 0.000 1.398 2198 L HN 0.456 nan 8.230 nan 0.000 0.412 2199 P HA 0.072 nan 4.420 nan 0.000 0.274 2199 P C 0.588 177.726 177.300 -0.271 0.000 1.231 2199 P CA -0.174 62.751 63.100 -0.291 0.000 0.790 2199 P CB 1.085 32.492 31.700 -0.488 0.000 0.951 2200 G N 2.124 110.618 108.800 -0.510 0.000 2.469 2200 G HA2 -0.261 3.713 3.960 0.024 0.000 0.220 2200 G HA3 -0.261 3.713 3.960 0.024 0.000 0.220 2200 G C 1.613 176.242 174.900 -0.451 0.000 1.136 2200 G CA 0.930 45.339 45.100 -1.152 0.000 0.759 2200 G HN 0.661 nan 8.290 nan 0.000 0.562 2201 G N -0.256 108.396 108.800 -0.248 0.000 2.679 2201 G HA2 0.093 4.068 3.960 0.024 0.000 0.212 2201 G HA3 0.093 4.068 3.960 0.024 0.000 0.212 2201 G C 1.295 176.166 174.900 -0.048 0.000 1.137 2201 G CA 0.613 45.655 45.100 -0.096 0.000 0.787 2201 G HN 0.547 nan 8.290 nan 0.000 0.534 2202 E N -0.675 119.486 120.200 -0.065 0.000 2.526 2202 E HA 0.160 4.524 4.350 0.024 0.000 0.208 2202 E C 1.970 178.562 176.600 -0.013 0.000 0.997 2202 E CA -0.318 56.067 56.400 -0.025 0.000 0.961 2202 E CB 0.863 30.540 29.700 -0.038 0.000 1.030 2202 E HN 0.222 nan 8.360 nan 0.000 0.483 2203 V N 0.713 120.611 119.914 -0.027 0.000 2.358 2203 V HA -0.275 3.860 4.120 0.024 0.000 0.246 2203 V C 1.947 177.976 176.094 -0.109 0.000 1.047 2203 V CA 1.791 64.016 62.300 -0.124 0.000 1.035 2203 V CB -0.477 31.180 31.823 -0.277 0.000 0.658 2203 V HN 0.400 nan 8.190 nan 0.000 0.452 2204 Y N 1.854 122.121 120.300 -0.054 0.000 2.081 2204 Y HA -0.224 4.341 4.550 0.025 0.000 0.280 2204 Y C 0.093 175.956 175.900 -0.061 0.000 1.163 2204 Y CA 2.479 60.565 58.100 -0.023 0.000 1.135 2204 Y CB -1.345 37.181 38.460 0.111 0.000 0.970 2204 Y HN 0.326 nan 8.280 nan 0.000 0.498 2205 P HA -0.164 nan 4.420 nan 0.000 0.217 2205 P C 1.326 178.634 177.300 0.013 0.000 1.150 2205 P CA 2.325 65.514 63.100 0.149 0.000 0.832 2205 P CB -0.294 31.470 31.700 0.105 0.000 0.787 2206 A N -0.700 122.108 122.820 -0.019 0.000 1.933 2206 A HA -0.160 4.174 4.320 0.024 0.000 0.218 2206 A C 2.199 179.726 177.584 -0.094 0.000 1.175 2206 A CA 1.406 53.411 52.037 -0.055 0.000 0.628 2206 A CB -1.629 17.334 19.000 -0.062 0.000 0.814 2206 A HN 0.125 nan 8.150 nan 0.000 0.444 2207 L N -1.078 120.055 121.223 -0.150 0.000 2.072 2207 L HA -0.116 4.239 4.340 0.024 0.000 0.205 2207 L C 2.742 179.512 176.870 -0.166 0.000 1.079 2207 L CA 1.323 56.053 54.840 -0.184 0.000 0.752 2207 L CB -0.396 41.496 42.059 -0.279 0.000 0.906 2207 L HN 0.431 nan 8.230 nan 0.000 0.436 2208 E N 0.573 120.659 120.200 -0.190 0.000 2.077 2208 E HA -0.195 4.170 4.350 0.024 0.000 0.193 2208 E C 1.859 178.413 176.600 -0.077 0.000 0.989 2208 E CA 1.054 57.361 56.400 -0.154 0.000 0.800 2208 E CB 0.204 29.827 29.700 -0.129 0.000 0.746 2208 E HN 0.290 nan 8.360 nan 0.000 0.452 2209 R N -0.783 119.685 120.500 -0.054 0.000 2.310 2209 R HA 0.090 4.445 4.340 0.024 0.000 0.202 2209 R C 1.264 177.541 176.300 -0.039 0.000 0.933 2209 R CA 0.646 56.725 56.100 -0.034 0.000 1.054 2209 R CB -0.087 30.202 30.300 -0.019 0.000 0.985 2209 R HN 0.299 nan 8.270 nan 0.000 0.489 2210 G N 0.546 109.314 108.800 -0.053 0.000 2.153 2210 G HA2 -0.277 3.698 3.960 0.024 0.000 0.252 2210 G HA3 -0.277 3.698 3.960 0.024 0.000 0.252 2210 G C 0.852 175.726 174.900 -0.044 0.000 0.994 2210 G CA 0.463 45.534 45.100 -0.048 0.000 0.698 2210 G HN 0.245 nan 8.290 nan 0.000 0.521 2211 V N 0.331 120.217 119.914 -0.046 0.000 2.591 2211 V HA 0.192 4.327 4.120 0.024 0.000 0.249 2211 V C 1.548 177.613 176.094 -0.048 0.000 1.053 2211 V CA 2.063 64.339 62.300 -0.040 0.000 1.068 2211 V CB -0.351 31.451 31.823 -0.035 0.000 0.689 2211 V HN 0.763 nan 8.190 nan 0.000 0.462 2212 I N -4.425 116.106 120.570 -0.065 0.000 2.934 2212 I HA 0.550 4.734 4.170 0.024 0.000 0.306 2212 I C 0.085 176.154 176.117 -0.080 0.000 1.110 2212 I CA -0.721 60.535 61.300 -0.073 0.000 1.019 2212 I CB 2.018 39.964 38.000 -0.089 0.000 1.227 2212 I HN -0.226 nan 8.210 nan 0.000 0.434 2213 D N 2.342 122.697 120.400 -0.076 0.000 2.338 2213 D HA 0.356 5.011 4.640 0.024 0.000 0.208 2213 D C 0.514 176.768 176.300 -0.077 0.000 0.997 2213 D CA 0.786 54.743 54.000 -0.072 0.000 0.880 2213 D CB 1.190 41.949 40.800 -0.069 0.000 0.980 2213 D HN 0.706 nan 8.370 nan 0.000 0.509 2214 A N -0.119 122.647 122.820 -0.090 0.000 2.599 2214 A HA 0.748 5.083 4.320 0.024 0.000 0.290 2214 A C -1.726 175.792 177.584 -0.110 0.000 1.101 2214 A CA -0.223 51.764 52.037 -0.084 0.000 0.674 2214 A CB 1.689 20.644 19.000 -0.075 0.000 1.277 2214 A HN 0.053 nan 8.150 nan 0.000 0.419 2215 A N 0.681 123.449 122.820 -0.086 0.000 2.517 2215 A HA 0.673 5.008 4.320 0.024 0.000 0.297 2215 A C -1.500 176.105 177.584 0.035 0.000 1.050 2215 A CA -0.072 51.913 52.037 -0.086 0.000 0.694 2215 A CB 1.229 20.108 19.000 -0.203 0.000 1.277 2215 A HN 1.012 nan 8.150 nan 0.000 0.400 2216 D N 1.795 122.215 120.400 0.034 0.000 2.168 2216 D HA 0.592 5.247 4.640 0.024 0.000 0.246 2216 D C -0.700 175.805 176.300 0.343 0.000 1.050 2216 D CA -0.080 54.020 54.000 0.166 0.000 0.857 2216 D CB 1.352 42.189 40.800 0.061 0.000 1.169 2216 D HN 0.300 nan 8.370 nan 0.000 0.453 2217 F N 3.427 123.532 119.950 0.259 0.000 1.985 2217 F HA 0.268 4.809 4.527 0.024 0.000 0.215 2217 F C -0.229 175.675 175.800 0.174 0.000 1.274 2217 F CA 0.782 58.928 58.000 0.243 0.000 1.258 2217 F CB -0.232 39.034 39.000 0.444 0.000 1.952 2217 F HN 0.275 nan 8.300 nan 0.000 0.131 2218 V N -0.223 119.545 119.914 -0.242 0.000 4.850 2218 V HA 0.914 5.048 4.120 0.024 0.000 0.283 2218 V C 0.596 176.715 176.094 0.042 0.000 1.437 2218 V CA -0.156 62.013 62.300 -0.218 0.000 0.825 2218 V CB 0.196 31.891 31.823 -0.213 0.000 1.338 2218 V HN 0.675 nan 8.190 nan 0.000 0.445 2219 G N -0.207 108.612 108.800 0.032 0.000 2.563 2219 G HA2 0.464 4.439 3.960 0.024 0.000 0.283 2219 G HA3 0.464 4.439 3.960 0.024 0.000 0.283 2219 G C -1.340 173.587 174.900 0.044 0.000 1.309 2219 G CA -0.330 44.778 45.100 0.012 0.000 1.022 2219 G HN 0.686 nan 8.290 nan 0.000 0.501 2220 P HA -0.153 nan 4.420 nan 0.000 0.215 2220 P C 1.942 179.247 177.300 0.008 0.000 1.157 2220 P CA 2.207 65.218 63.100 -0.149 0.000 0.868 2220 P CB 0.007 31.153 31.700 -0.924 0.000 0.788 2221 A N 0.069 122.809 122.820 -0.133 0.000 1.858 2221 A HA -0.127 4.207 4.320 0.024 0.000 0.216 2221 A C 2.557 180.111 177.584 -0.049 0.000 1.190 2221 A CA 2.253 54.212 52.037 -0.131 0.000 0.617 2221 A CB -1.690 17.201 19.000 -0.182 0.000 0.827 2221 A HN 0.079 nan 8.150 nan 0.000 0.443 2222 V N 0.837 120.721 119.914 -0.051 0.000 2.427 2222 V HA -0.214 3.921 4.120 0.024 0.000 0.248 2222 V C 2.179 178.271 176.094 -0.004 0.000 1.051 2222 V CA 2.038 64.319 62.300 -0.032 0.000 1.048 2222 V CB -1.061 30.743 31.823 -0.031 0.000 0.666 2222 V HN 0.531 nan 8.190 nan 0.000 0.456 2223 N N -0.595 118.125 118.700 0.033 0.000 2.223 2223 N HA -0.180 4.575 4.740 0.024 0.000 0.185 2223 N C 1.646 177.029 175.510 -0.210 0.000 1.016 2223 N CA 1.383 54.312 53.050 -0.202 0.000 0.863 2223 N CB -0.437 38.172 38.487 0.202 0.000 0.983 2223 N HN 0.660 nan 8.380 nan 0.000 0.429 2224 Y N 1.499 121.751 120.300 -0.080 0.000 2.220 2224 Y HA -0.052 4.512 4.550 0.023 0.000 0.291 2224 Y C 1.769 177.614 175.900 -0.091 0.000 1.129 2224 Y CA 1.488 59.496 58.100 -0.153 0.000 1.161 2224 Y CB -0.366 37.798 38.460 -0.494 0.000 0.997 2224 Y HN 0.130 nan 8.280 nan 0.000 0.522 2225 N N 0.059 118.779 118.700 0.034 0.000 2.137 2225 N HA -0.233 4.522 4.740 0.024 0.000 0.190 2225 N C 1.454 176.897 175.510 -0.111 0.000 1.017 2225 N CA 1.544 54.585 53.050 -0.016 0.000 0.859 2225 N CB -0.320 38.153 38.487 -0.024 0.000 1.002 2225 N HN 0.335 nan 8.380 nan 0.000 0.428 2226 L N -0.301 120.792 121.223 -0.217 0.000 2.552 2226 L HA 0.111 4.466 4.340 0.024 0.000 0.227 2226 L C 1.219 177.983 176.870 -0.176 0.000 1.146 2226 L CA 0.106 54.783 54.840 -0.272 0.000 0.858 2226 L CB -0.148 41.611 42.059 -0.500 0.000 0.969 2226 L HN 0.292 nan 8.230 nan 0.000 0.451 2227 G N -1.133 107.570 108.800 -0.162 0.000 2.147 2227 G HA2 -0.302 3.672 3.960 0.024 0.000 0.244 2227 G HA3 -0.302 3.672 3.960 0.024 0.000 0.244 2227 G C 0.555 175.509 174.900 0.091 0.000 1.005 2227 G CA 0.045 45.084 45.100 -0.101 0.000 0.713 2227 G HN 0.161 nan 8.290 nan 0.000 0.515 2228 F N 0.989 120.938 119.950 -0.002 0.000 2.202 2228 F HA -0.060 4.481 4.527 0.023 0.000 0.301 2228 F C 2.515 178.268 175.800 -0.080 0.000 1.082 2228 F CA 1.454 59.375 58.000 -0.131 0.000 1.313 2228 F CB -1.212 37.521 39.000 -0.445 0.000 1.024 2228 F HN 0.743 nan 8.300 nan 0.000 0.495 2229 H N -1.383 117.808 119.070 0.202 0.000 2.518 2229 H HA -0.060 4.511 4.556 0.024 0.000 0.289 2229 H C 1.577 176.955 175.328 0.083 0.000 1.051 2229 H CA 1.164 57.350 56.048 0.230 0.000 1.280 2229 H CB -0.714 29.181 29.762 0.221 0.000 1.380 2229 H HN 0.360 nan 8.280 nan 0.000 0.566 2230 Q N 0.880 120.427 119.800 -0.422 0.000 2.269 2230 Q HA 0.025 4.380 4.340 0.024 0.000 0.201 2230 Q C 1.606 177.483 176.000 -0.204 0.000 0.946 2230 Q CA 1.275 56.911 55.803 -0.278 0.000 0.877 2230 Q CB 0.691 29.295 28.738 -0.224 0.000 0.963 2230 Q HN 0.643 nan 8.270 nan 0.000 0.472 2231 V N -4.411 115.334 119.914 -0.281 0.000 3.477 2231 V HA 0.608 4.743 4.120 0.024 0.000 0.297 2231 V C 0.162 176.153 176.094 -0.172 0.000 1.433 2231 V CA -0.080 62.034 62.300 -0.309 0.000 1.052 2231 V CB 0.595 32.047 31.823 -0.619 0.000 0.895 2231 V HN 0.065 nan 8.190 nan 0.000 0.438 2232 A N 0.481 123.260 122.820 -0.069 0.000 2.429 2232 A HA 0.613 4.947 4.320 0.024 0.000 0.289 2232 A C 0.406 178.019 177.584 0.049 0.000 1.043 2232 A CA -0.230 51.816 52.037 0.015 0.000 0.722 2232 A CB 1.794 20.834 19.000 0.067 0.000 1.243 2232 A HN 0.139 nan 8.150 nan 0.000 0.415 2233 K N 1.162 121.518 120.400 -0.073 0.000 2.418 2233 K HA 0.106 4.441 4.320 0.024 0.000 0.195 2233 K C -0.832 175.480 176.600 -0.479 0.000 1.035 2233 K CA 0.965 57.073 56.287 -0.299 0.000 1.003 2233 K CB 0.002 32.187 32.500 -0.524 0.000 0.793 2233 K HN 0.692 nan 8.250 nan 0.000 0.494 2234 Y N -0.082 120.269 120.300 0.084 0.000 2.485 2234 Y HA 0.443 5.009 4.550 0.028 0.000 0.345 2234 Y C -0.236 175.676 175.900 0.020 0.000 0.998 2234 Y CA -1.078 57.051 58.100 0.050 0.000 1.059 2234 Y CB 1.522 39.987 38.460 0.010 0.000 1.234 2234 Y HN -0.213 nan 8.280 nan 0.000 0.461 2235 I N 4.207 124.856 120.570 0.132 0.000 2.433 2235 I HA 0.366 4.550 4.170 0.024 0.000 0.292 2235 I C -1.137 175.001 176.117 0.035 0.000 1.001 2235 I CA -0.799 60.471 61.300 -0.051 0.000 1.119 2235 I CB 1.399 39.323 38.000 -0.128 0.000 1.289 2235 I HN 0.365 nan 8.210 nan 0.000 0.438 2236 I N 6.903 127.486 120.570 0.022 0.000 2.362 2236 I HA 0.513 4.697 4.170 0.024 0.000 0.289 2236 I C -0.126 176.057 176.117 0.111 0.000 0.994 2236 I CA -0.382 60.963 61.300 0.075 0.000 1.158 2236 I CB 1.199 39.252 38.000 0.088 0.000 1.315 2236 I HN 0.561 nan 8.210 nan 0.000 0.451 2237 M N 3.017 122.683 119.600 0.109 0.000 2.691 2237 M HA 0.619 5.113 4.480 0.024 0.000 0.293 2237 M C 0.492 176.863 176.300 0.118 0.000 1.259 2237 M CA -0.623 54.745 55.300 0.114 0.000 0.827 2237 M CB 2.766 35.405 32.600 0.065 0.000 1.753 2237 M HN 0.662 nan 8.290 nan 0.000 0.465 2238 G N 0.630 109.493 108.800 0.104 0.000 2.563 2238 G HA2 0.588 4.563 3.960 0.024 0.000 0.283 2238 G HA3 0.588 4.563 3.960 0.024 0.000 0.283 2238 G C -2.765 172.172 174.900 0.062 0.000 1.309 2238 G CA -1.086 44.073 45.100 0.097 0.000 1.022 2238 G HN 0.349 nan 8.290 nan 0.000 0.501 2239 P HA 0.155 nan 4.420 nan 0.000 0.272 2239 P C -2.184 175.123 177.300 0.012 0.000 1.240 2239 P CA -1.129 61.990 63.100 0.032 0.000 0.791 2239 P CB 0.989 32.710 31.700 0.035 0.000 0.978 2240 P HA -0.178 nan 4.420 nan 0.000 0.217 2240 P C 1.161 178.458 177.300 -0.004 0.000 1.148 2240 P CA 1.665 64.756 63.100 -0.014 0.000 0.828 2240 P CB -0.064 31.623 31.700 -0.021 0.000 0.783 2241 E N -1.423 118.777 120.200 -0.000 0.000 2.150 2241 E HA -0.045 4.319 4.350 0.024 0.000 0.193 2241 E C 0.255 176.854 176.600 -0.001 0.000 0.985 2241 E CA 1.175 57.574 56.400 -0.003 0.000 0.814 2241 E CB -0.700 28.996 29.700 -0.006 0.000 0.752 2241 E HN 0.168 nan 8.360 nan 0.000 0.466 2242 T N 0.779 115.338 114.554 0.009 0.000 3.296 2242 T HA 0.197 4.562 4.350 0.024 0.000 0.333 2242 T C -2.404 172.310 174.700 0.025 0.000 1.280 2242 T CA -1.136 60.972 62.100 0.014 0.000 1.558 2242 T CB 1.461 70.337 68.868 0.014 0.000 0.929 2242 T HN -0.117 nan 8.240 nan 0.000 0.596 2243 P HA 0.021 nan 4.420 nan 0.000 0.216 2243 P C 0.255 177.578 177.300 0.039 0.000 1.150 2243 P CA 0.713 63.829 63.100 0.027 0.000 0.837 2243 P CB 0.246 31.959 31.700 0.022 0.000 0.786 2244 A N -1.149 121.682 122.820 0.017 0.000 2.323 2244 A HA 0.420 4.755 4.320 0.024 0.000 0.305 2244 A C 0.763 178.327 177.584 -0.032 0.000 1.275 2244 A CA -0.491 51.534 52.037 -0.021 0.000 0.804 2244 A CB 0.032 18.979 19.000 -0.087 0.000 1.152 2244 A HN -0.072 nan 8.150 nan 0.000 0.487 2245 I N 1.833 122.407 120.570 0.007 0.000 2.400 2245 I HA -0.085 4.100 4.170 0.024 0.000 0.248 2245 I C 2.336 178.413 176.117 -0.068 0.000 1.109 2245 I CA 1.109 62.382 61.300 -0.045 0.000 1.425 2245 I CB -0.155 37.751 38.000 -0.157 0.000 1.094 2245 I HN 0.912 nan 8.210 nan 0.000 0.425 2246 H N 0.473 119.446 119.070 -0.162 0.000 2.418 2246 H HA 0.174 4.743 4.556 0.021 0.000 0.300 2246 H C 0.507 175.797 175.328 -0.064 0.000 1.041 2246 H CA 0.279 56.241 56.048 -0.143 0.000 1.364 2246 H CB 0.051 29.761 29.762 -0.087 0.000 1.439 2246 H HN 0.304 nan 8.280 nan 0.000 0.540 2247 Q N 2.030 121.438 119.800 -0.653 0.000 3.244 2247 Q HA 0.217 4.572 4.340 0.024 0.000 0.249 2247 Q C -2.196 173.604 176.000 -0.333 0.000 0.951 2247 Q CA -1.799 53.749 55.803 -0.425 0.000 0.740 2247 Q CB 2.550 31.048 28.738 -0.400 0.000 1.334 2247 Q HN 0.289 nan 8.270 nan 0.000 0.448 2248 P HA -0.045 nan 4.420 nan 0.000 0.222 2248 P C 0.334 177.571 177.300 -0.104 0.000 1.153 2248 P CA 0.710 63.742 63.100 -0.113 0.000 0.798 2248 P CB 0.639 32.324 31.700 -0.025 0.000 0.796 2249 V N 1.485 121.280 119.914 -0.199 0.000 2.465 2249 V HA 0.170 4.305 4.120 0.024 0.000 0.263 2249 V C -0.474 175.413 176.094 -0.346 0.000 0.981 2249 V CA -0.643 61.503 62.300 -0.256 0.000 0.838 2249 V CB 0.797 32.392 31.823 -0.380 0.000 1.068 2249 V HN -0.103 nan 8.190 nan 0.000 0.458 2250 D N 4.158 124.443 120.400 -0.191 0.000 2.508 2250 D HA 0.273 4.928 4.640 0.024 0.000 0.224 2250 D C 0.194 176.547 176.300 0.089 0.000 1.171 2250 D CA 0.063 54.006 54.000 -0.095 0.000 1.006 2250 D CB 0.218 40.981 40.800 -0.062 0.000 1.073 2250 D HN 0.426 nan 8.370 nan 0.000 0.513 2251 L N 2.717 123.880 121.223 -0.100 0.000 2.426 2251 L HA 0.265 4.620 4.340 0.024 0.000 0.271 2251 L C 0.997 177.798 176.870 -0.114 0.000 1.169 2251 L CA -0.215 54.572 54.840 -0.088 0.000 0.836 2251 L CB 0.736 42.698 42.059 -0.161 0.000 1.112 2251 L HN 0.205 nan 8.230 nan 0.000 0.465 2252 M N 1.757 121.202 119.600 -0.258 0.000 2.799 2252 M HA 0.476 4.970 4.480 0.024 0.000 0.274 2252 M C -0.977 175.096 176.300 -0.378 0.000 1.137 2252 M CA -0.512 54.481 55.300 -0.511 0.000 0.897 2252 M CB 1.855 33.974 32.600 -0.800 0.000 1.567 2252 M HN 0.729 nan 8.290 nan 0.000 0.536 2253 D N -1.183 118.950 120.400 -0.445 0.000 2.713 2253 D HA 0.470 5.125 4.640 0.024 0.000 0.306 2253 D C -1.813 174.211 176.300 -0.459 0.000 1.299 2253 D CA -0.586 53.174 54.000 -0.400 0.000 0.823 2253 D CB 0.895 41.460 40.800 -0.392 0.000 1.353 2253 D HN 0.337 nan 8.370 nan 0.000 0.447 2254 F N -0.417 119.295 119.950 -0.397 0.000 2.493 2254 F HA 0.631 5.173 4.527 0.025 0.000 0.329 2254 F C -0.267 175.347 175.800 -0.309 0.000 1.126 2254 F CA -0.250 57.637 58.000 -0.188 0.000 0.937 2254 F CB 2.783 41.788 39.000 0.008 0.000 1.146 2254 F HN 0.231 nan 8.300 nan 0.000 0.442 2255 T N 5.386 119.884 114.554 -0.094 0.000 2.848 2255 T HA 0.597 4.962 4.350 0.024 0.000 0.285 2255 T C -0.744 173.897 174.700 -0.098 0.000 0.995 2255 T CA -0.514 61.459 62.100 -0.211 0.000 0.970 2255 T CB 1.217 69.919 68.868 -0.277 0.000 0.976 2255 T HN 0.144 nan 8.240 nan 0.000 0.441 2256 I N 2.887 123.385 120.570 -0.120 0.000 2.603 2256 I HA 0.376 4.561 4.170 0.024 0.000 0.300 2256 I C 0.589 176.608 176.117 -0.164 0.000 1.017 2256 I CA -1.124 60.063 61.300 -0.188 0.000 1.098 2256 I CB 1.644 39.486 38.000 -0.264 0.000 1.279 2256 I HN 0.639 nan 8.210 nan 0.000 0.437 2257 N N 3.656 122.227 118.700 -0.216 0.000 2.359 2257 N HA -0.094 4.661 4.740 0.024 0.000 0.261 2257 N C 0.827 176.313 175.510 -0.041 0.000 1.267 2257 N CA -0.031 52.935 53.050 -0.141 0.000 0.864 2257 N CB 0.929 39.323 38.487 -0.155 0.000 1.063 2257 N HN 0.560 nan 8.380 nan 0.000 0.474 2258 L N 5.128 126.363 121.223 0.020 0.000 2.083 2258 L HA -0.133 4.222 4.340 0.024 0.000 0.209 2258 L C 1.730 178.679 176.870 0.132 0.000 1.083 2258 L CA 1.627 56.540 54.840 0.121 0.000 0.752 2258 L CB -0.653 41.476 42.059 0.116 0.000 0.899 2258 L HN 0.604 nan 8.230 nan 0.000 0.433 2259 N N -0.639 118.101 118.700 0.067 0.000 2.188 2259 N HA -0.112 4.643 4.740 0.024 0.000 0.184 2259 N C 1.879 177.430 175.510 0.068 0.000 1.018 2259 N CA 0.741 53.829 53.050 0.063 0.000 0.858 2259 N CB -0.225 38.285 38.487 0.039 0.000 0.989 2259 N HN 0.271 nan 8.380 nan 0.000 0.426 2260 R N 0.334 120.857 120.500 0.038 0.000 2.075 2260 R HA -0.084 4.271 4.340 0.024 0.000 0.232 2260 R C 2.020 178.393 176.300 0.121 0.000 1.126 2260 R CA 0.496 56.623 56.100 0.046 0.000 0.963 2260 R CB -0.929 29.277 30.300 -0.157 0.000 0.858 2260 R HN 0.504 nan 8.270 nan 0.000 0.435 2261 W N 2.021 123.244 121.300 -0.128 0.000 2.355 2261 W HA -0.191 4.484 4.660 0.025 0.000 0.309 2261 W C 1.560 178.023 176.519 -0.093 0.000 1.206 2261 W CA 1.227 58.501 57.345 -0.118 0.000 1.284 2261 W CB -0.143 29.175 29.460 -0.235 0.000 1.145 2261 W HN 0.063 nan 8.180 nan 0.000 0.502 2262 R N 0.020 120.545 120.500 0.041 0.000 2.193 2262 R HA -0.141 4.214 4.340 0.024 0.000 0.229 2262 R C 2.507 178.746 176.300 -0.102 0.000 1.110 2262 R CA 1.522 57.590 56.100 -0.052 0.000 0.988 2262 R CB -0.549 29.785 30.300 0.057 0.000 0.871 2262 R HN -0.009 nan 8.270 nan 0.000 0.458 2263 S N 0.247 115.916 115.700 -0.051 0.000 2.522 2263 S HA 0.009 4.494 4.470 0.024 0.000 0.227 2263 S C 0.570 175.087 174.600 -0.138 0.000 0.986 2263 S CA -0.127 58.064 58.200 -0.015 0.000 0.929 2263 S CB 0.080 63.342 63.200 0.102 0.000 0.769 2263 S HN 0.083 nan 8.310 nan 0.000 0.529 2264 L N 3.015 124.033 121.223 -0.340 0.000 2.319 2264 L HA 0.465 4.820 4.340 0.024 0.000 0.280 2264 L C -2.503 174.033 176.870 -0.556 0.000 1.099 2264 L CA -2.070 52.367 54.840 -0.671 0.000 0.828 2264 L CB 0.494 42.118 42.059 -0.724 0.000 1.150 2264 L HN -0.040 nan 8.230 nan 0.000 0.442 2265 P HA -0.036 nan 4.420 nan 0.000 0.265 2265 P C 0.084 177.191 177.300 -0.321 0.000 1.187 2265 P CA 0.134 63.055 63.100 -0.300 0.000 0.766 2265 P CB 0.467 32.033 31.700 -0.223 0.000 0.820 2266 K N 4.593 124.857 120.400 -0.226 0.000 2.113 2266 K HA -0.160 4.174 4.320 0.024 0.000 0.208 2266 K C -0.910 175.596 176.600 -0.157 0.000 1.047 2266 K CA 1.942 58.113 56.287 -0.193 0.000 0.928 2266 K CB -1.297 31.142 32.500 -0.102 0.000 0.716 2266 K HN 0.391 nan 8.250 nan 0.000 0.446 2267 P HA -0.145 nan 4.420 nan 0.000 0.216 2267 P C 1.007 178.237 177.300 -0.116 0.000 1.150 2267 P CA 1.134 64.179 63.100 -0.092 0.000 0.837 2267 P CB 0.095 31.748 31.700 -0.079 0.000 0.786 2268 L N -1.225 119.877 121.223 -0.201 0.000 2.179 2268 L HA -0.111 4.244 4.340 0.024 0.000 0.208 2268 L C 2.545 179.269 176.870 -0.244 0.000 1.096 2268 L CA 1.176 55.873 54.840 -0.239 0.000 0.779 2268 L CB -0.752 41.082 42.059 -0.375 0.000 0.922 2268 L HN 0.005 nan 8.230 nan 0.000 0.443 2269 Q N -0.161 119.415 119.800 -0.374 0.000 2.050 2269 Q HA -0.211 4.143 4.340 0.024 0.000 0.202 2269 Q C 2.105 178.149 176.000 0.075 0.000 0.980 2269 Q CA 1.302 56.825 55.803 -0.467 0.000 0.840 2269 Q CB -0.025 28.309 28.738 -0.674 0.000 0.898 2269 Q HN 0.378 nan 8.270 nan 0.000 0.424 2270 E N 0.585 120.816 120.200 0.053 0.000 2.110 2270 E HA -0.181 4.184 4.350 0.024 0.000 0.193 2270 E C 1.872 178.562 176.600 0.150 0.000 0.988 2270 E CA 0.926 57.412 56.400 0.143 0.000 0.804 2270 E CB -0.165 29.584 29.700 0.082 0.000 0.745 2270 E HN 0.231 nan 8.360 nan 0.000 0.458 2271 R N -0.452 120.101 120.500 0.088 0.000 2.096 2271 R HA -0.110 4.245 4.340 0.024 0.000 0.235 2271 R C 2.213 178.601 176.300 0.146 0.000 1.127 2271 R CA 0.953 57.101 56.100 0.079 0.000 0.968 2271 R CB -0.325 29.985 30.300 0.015 0.000 0.861 2271 R HN 0.099 nan 8.270 nan 0.000 0.440 2272 F N 0.663 120.655 119.950 0.070 0.000 2.186 2272 F HA -0.057 4.485 4.527 0.025 0.000 0.299 2272 F C 1.736 177.687 175.800 0.252 0.000 1.090 2272 F CA 1.217 59.311 58.000 0.157 0.000 1.307 2272 F CB -0.063 39.100 39.000 0.273 0.000 1.019 2272 F HN -0.031 nan 8.300 nan 0.000 0.489 2273 I N -0.107 120.700 120.570 0.395 0.000 2.226 2273 I HA -0.328 3.856 4.170 0.024 0.000 0.245 2273 I C 2.632 178.844 176.117 0.158 0.000 1.100 2273 I CA 1.303 62.779 61.300 0.294 0.000 1.374 2273 I CB -0.832 37.402 38.000 0.390 0.000 1.057 2273 I HN 0.186 nan 8.210 nan 0.000 0.413 2274 A N 0.545 123.455 122.820 0.149 0.000 1.930 2274 A HA -0.111 4.223 4.320 0.024 0.000 0.217 2274 A C 2.532 180.167 177.584 0.085 0.000 1.175 2274 A CA 1.666 53.774 52.037 0.119 0.000 0.627 2274 A CB -0.784 18.267 19.000 0.085 0.000 0.815 2274 A HN 0.424 nan 8.150 nan 0.000 0.443 2275 A N -0.537 122.296 122.820 0.023 0.000 1.902 2275 A HA -0.020 4.314 4.320 0.024 0.000 0.217 2275 A C 2.205 179.840 177.584 0.084 0.000 1.181 2275 A CA 1.806 53.864 52.037 0.034 0.000 0.623 2275 A CB -0.919 18.026 19.000 -0.093 0.000 0.818 2275 A HN 0.388 nan 8.150 nan 0.000 0.443 2276 V N -0.738 119.076 119.914 -0.167 0.000 2.427 2276 V HA -0.272 3.862 4.120 0.024 0.000 0.248 2276 V C 2.353 178.446 176.094 -0.002 0.000 1.051 2276 V CA 2.271 64.405 62.300 -0.276 0.000 1.048 2276 V CB -0.966 30.590 31.823 -0.445 0.000 0.666 2276 V HN 0.813 nan 8.190 nan 0.000 0.456 2277 H N -0.343 118.715 119.070 -0.020 0.000 2.389 2277 H HA -0.168 4.402 4.556 0.024 0.000 0.299 2277 H C 2.472 177.863 175.328 0.106 0.000 1.081 2277 H CA 1.498 57.561 56.048 0.025 0.000 1.345 2277 H CB 0.370 30.127 29.762 -0.008 0.000 1.393 2277 H HN 0.552 nan 8.280 nan 0.000 0.520 2278 E N -0.110 120.230 120.200 0.233 0.000 2.051 2278 E HA -0.256 4.109 4.350 0.024 0.000 0.192 2278 E C 1.926 178.679 176.600 0.255 0.000 0.991 2278 E CA 1.159 57.683 56.400 0.207 0.000 0.799 2278 E CB -0.277 29.517 29.700 0.156 0.000 0.748 2278 E HN 0.558 nan 8.360 nan 0.000 0.449 2279 Y N 1.299 121.649 120.300 0.083 0.000 2.224 2279 Y HA -0.222 4.343 4.550 0.025 0.000 0.289 2279 Y C 2.577 178.489 175.900 0.019 0.000 1.146 2279 Y CA 1.731 59.838 58.100 0.013 0.000 1.182 2279 Y CB -0.756 37.494 38.460 -0.350 0.000 0.983 2279 Y HN 0.090 nan 8.280 nan 0.000 0.524 2280 S N -0.451 115.169 115.700 -0.134 0.000 2.368 2280 S HA -0.299 4.186 4.470 0.024 0.000 0.226 2280 S C 1.724 176.098 174.600 -0.376 0.000 1.044 2280 S CA 2.248 60.244 58.200 -0.339 0.000 1.062 2280 S CB -0.733 62.271 63.200 -0.327 0.000 0.931 2280 S HN 0.675 nan 8.310 nan 0.000 0.440 2281 W N 0.663 121.987 121.300 0.039 0.000 2.576 2281 W HA 0.298 4.972 4.660 0.023 0.000 0.270 2281 W C 2.087 178.661 176.519 0.093 0.000 1.255 2281 W CA -0.428 56.968 57.345 0.085 0.000 1.314 2281 W CB -0.137 29.349 29.460 0.042 0.000 1.101 2281 W HN 0.255 nan 8.180 nan 0.000 0.595 2282 I N -0.013 120.682 120.570 0.207 0.000 2.315 2282 I HA -0.294 3.890 4.170 0.024 0.000 0.248 2282 I C 2.461 178.611 176.117 0.054 0.000 1.117 2282 I CA 1.746 63.138 61.300 0.153 0.000 1.404 2282 I CB -1.625 36.490 38.000 0.192 0.000 1.071 2282 I HN 0.229 nan 8.210 nan 0.000 0.419 2283 H N 0.175 119.086 119.070 -0.264 0.000 2.326 2283 H HA -0.262 4.308 4.556 0.024 0.000 0.301 2283 H C 2.373 177.651 175.328 -0.083 0.000 1.081 2283 H CA 2.056 57.910 56.048 -0.323 0.000 1.334 2283 H CB -0.354 28.927 29.762 -0.803 0.000 1.385 2283 H HN 0.267 nan 8.280 nan 0.000 0.504 2284 Y N 1.291 121.531 120.300 -0.100 0.000 2.081 2284 Y HA -0.279 4.285 4.550 0.023 0.000 0.280 2284 Y C 2.824 178.714 175.900 -0.016 0.000 1.163 2284 Y CA 2.399 60.464 58.100 -0.057 0.000 1.135 2284 Y CB -0.819 37.618 38.460 -0.038 0.000 0.970 2284 Y HN 0.300 nan 8.280 nan 0.000 0.498 2285 A N 0.134 123.060 122.820 0.175 0.000 1.892 2285 A HA -0.180 4.155 4.320 0.024 0.000 0.218 2285 A C 2.496 180.039 177.584 -0.069 0.000 1.188 2285 A CA 2.010 54.102 52.037 0.092 0.000 0.631 2285 A CB -1.797 17.308 19.000 0.175 0.000 0.822 2285 A HN 0.638 nan 8.150 nan 0.000 0.447 2286 G N -0.278 108.469 108.800 -0.088 0.000 2.418 2286 G HA2 -0.149 3.826 3.960 0.024 0.000 0.217 2286 G HA3 -0.149 3.826 3.960 0.024 0.000 0.217 2286 G C 1.416 176.191 174.900 -0.208 0.000 1.158 2286 G CA 1.075 46.100 45.100 -0.125 0.000 0.771 2286 G HN 0.382 nan 8.290 nan 0.000 0.545 2287 I N 0.625 121.008 120.570 -0.313 0.000 2.252 2287 I HA -0.098 4.086 4.170 0.024 0.000 0.245 2287 I C 2.805 178.754 176.117 -0.280 0.000 1.102 2287 I CA 0.973 62.082 61.300 -0.319 0.000 1.385 2287 I CB -0.817 36.986 38.000 -0.329 0.000 1.064 2287 I HN 0.200 nan 8.210 nan 0.000 0.414 2288 Q N 0.657 120.250 119.800 -0.346 0.000 2.124 2288 Q HA -0.214 4.141 4.340 0.024 0.000 0.202 2288 Q C 2.144 178.066 176.000 -0.131 0.000 0.977 2288 Q CA 1.293 56.939 55.803 -0.263 0.000 0.850 2288 Q CB -0.427 28.116 28.738 -0.325 0.000 0.901 2288 Q HN 0.517 nan 8.270 nan 0.000 0.429 2289 K N 0.459 120.790 120.400 -0.115 0.000 2.026 2289 K HA -0.088 4.247 4.320 0.024 0.000 0.208 2289 K C 2.005 178.552 176.600 -0.088 0.000 1.048 2289 K CA 1.261 57.505 56.287 -0.071 0.000 0.929 2289 K CB -0.103 32.362 32.500 -0.058 0.000 0.713 2289 K HN 0.113 nan 8.250 nan 0.000 0.439 2290 A N 1.497 124.242 122.820 -0.125 0.000 1.933 2290 A HA -0.184 4.151 4.320 0.024 0.000 0.218 2290 A C 1.790 179.274 177.584 -0.167 0.000 1.175 2290 A CA 1.745 53.694 52.037 -0.146 0.000 0.628 2290 A CB -0.662 18.236 19.000 -0.169 0.000 0.814 2290 A HN 0.408 nan 8.150 nan 0.000 0.444 2291 N N 0.286 118.891 118.700 -0.159 0.000 2.120 2291 N HA -0.109 4.645 4.740 0.024 0.000 0.188 2291 N C 1.633 177.075 175.510 -0.113 0.000 1.024 2291 N CA 1.385 54.324 53.050 -0.185 0.000 0.852 2291 N CB -0.559 37.863 38.487 -0.108 0.000 1.003 2291 N HN 0.524 nan 8.380 nan 0.000 0.424 2292 L N 1.303 122.531 121.223 0.008 0.000 2.042 2292 L HA -0.177 4.178 4.340 0.024 0.000 0.210 2292 L C 1.922 178.820 176.870 0.047 0.000 1.076 2292 L CA 1.333 56.236 54.840 0.105 0.000 0.749 2292 L CB -0.391 41.705 42.059 0.061 0.000 0.893 2292 L HN 0.250 nan 8.230 nan 0.000 0.432 2293 E N -0.097 120.069 120.200 -0.056 0.000 2.274 2293 E HA -0.112 4.253 4.350 0.024 0.000 0.194 2293 E C 2.225 178.705 176.600 -0.201 0.000 0.996 2293 E CA 0.813 57.151 56.400 -0.104 0.000 0.840 2293 E CB -0.078 29.548 29.700 -0.124 0.000 0.772 2293 E HN 0.509 nan 8.360 nan 0.000 0.491 2294 A N 0.804 123.455 122.820 -0.282 0.000 1.929 2294 A HA -0.114 4.221 4.320 0.024 0.000 0.216 2294 A C 1.670 179.075 177.584 -0.297 0.000 1.176 2294 A CA 0.585 52.343 52.037 -0.465 0.000 0.628 2294 A CB -0.891 17.817 19.000 -0.486 0.000 0.816 2294 A HN 0.327 nan 8.150 nan 0.000 0.444 2295 W N 0.261 121.594 121.300 0.053 0.000 2.318 2295 W HA -0.137 4.541 4.660 0.030 0.000 0.313 2295 W C -0.612 175.950 176.519 0.072 0.000 1.221 2295 W CA 1.522 58.954 57.345 0.145 0.000 1.266 2295 W CB -1.479 28.027 29.460 0.075 0.000 1.150 2295 W HN 0.310 nan 8.180 nan 0.000 0.496 2296 P HA -0.192 nan 4.420 nan 0.000 0.218 2296 P C 0.921 178.222 177.300 0.002 0.000 1.148 2296 P CA 2.088 65.239 63.100 0.085 0.000 0.822 2296 P CB -0.122 31.593 31.700 0.025 0.000 0.784 2297 K N -1.862 118.434 120.400 -0.173 0.000 2.097 2297 K HA -0.139 4.196 4.320 0.024 0.000 0.205 2297 K C 2.049 178.544 176.600 -0.177 0.000 1.050 2297 K CA 1.284 57.366 56.287 -0.342 0.000 0.938 2297 K CB -0.560 31.357 32.500 -0.972 0.000 0.718 2297 K HN 0.186 nan 8.250 nan 0.000 0.442 2298 Y N 1.319 121.611 120.300 -0.014 0.000 2.242 2298 Y HA -0.138 4.429 4.550 0.029 0.000 0.291 2298 Y C 2.316 178.304 175.900 0.147 0.000 1.137 2298 Y CA 1.209 59.392 58.100 0.138 0.000 1.181 2298 Y CB -0.136 38.453 38.460 0.216 0.000 0.989 2298 Y HN -0.021 nan 8.280 nan 0.000 0.527 2299 R N -0.062 120.603 120.500 0.275 0.000 2.073 2299 R HA -0.202 4.153 4.340 0.024 0.000 0.234 2299 R C 2.125 178.504 176.300 0.132 0.000 1.134 2299 R CA 1.849 58.059 56.100 0.184 0.000 0.952 2299 R CB -0.474 29.912 30.300 0.142 0.000 0.850 2299 R HN 0.443 nan 8.270 nan 0.000 0.433 2300 Q N -0.188 119.672 119.800 0.100 0.000 2.291 2300 Q HA -0.032 4.322 4.340 0.024 0.000 0.205 2300 Q C 1.725 177.789 176.000 0.106 0.000 0.970 2300 Q CA 1.183 57.033 55.803 0.079 0.000 0.876 2300 Q CB 0.103 28.868 28.738 0.045 0.000 0.935 2300 Q HN 0.360 nan 8.270 nan 0.000 0.455 2301 A N 0.127 123.038 122.820 0.151 0.000 2.251 2301 A HA 0.312 4.647 4.320 0.024 0.000 0.209 2301 A C 1.477 179.159 177.584 0.164 0.000 1.187 2301 A CA 0.652 52.807 52.037 0.198 0.000 0.823 2301 A CB -0.181 19.010 19.000 0.319 0.000 0.846 2301 A HN 0.418 nan 8.150 nan 0.000 0.486 2302 G N -1.121 107.763 108.800 0.138 0.000 2.147 2302 G HA2 -0.186 3.789 3.960 0.024 0.000 0.244 2302 G HA3 -0.186 3.789 3.960 0.024 0.000 0.244 2302 G C 0.121 175.069 174.900 0.080 0.000 1.005 2302 G CA 0.189 45.344 45.100 0.092 0.000 0.713 2302 G HN 0.728 nan 8.290 nan 0.000 0.515 2303 V N 0.490 120.500 119.914 0.161 0.000 2.583 2303 V HA 0.463 4.597 4.120 0.024 0.000 0.287 2303 V C 0.709 176.861 176.094 0.097 0.000 1.051 2303 V CA -0.148 62.232 62.300 0.133 0.000 1.010 2303 V CB 1.803 33.817 31.823 0.318 0.000 0.988 2303 V HN 0.463 nan 8.190 nan 0.000 0.478 2304 E N 3.638 123.846 120.200 0.013 0.000 2.197 2304 E HA 0.439 4.803 4.350 0.024 0.000 0.281 2304 E C -1.294 175.393 176.600 0.146 0.000 0.995 2304 E CA -0.588 55.868 56.400 0.093 0.000 0.808 2304 E CB 1.730 31.517 29.700 0.145 0.000 1.093 2304 E HN 0.476 nan 8.360 nan 0.000 0.394 2305 V N 6.718 126.699 119.914 0.111 0.000 2.385 2305 V HA 0.257 4.391 4.120 0.024 0.000 0.269 2305 V C 0.265 176.403 176.094 0.073 0.000 1.043 2305 V CA -0.320 62.026 62.300 0.077 0.000 0.906 2305 V CB 0.696 32.522 31.823 0.005 0.000 0.995 2305 V HN 0.655 nan 8.190 nan 0.000 0.467 2306 I N 6.200 126.820 120.570 0.083 0.000 2.392 2306 I HA 0.513 4.697 4.170 0.024 0.000 0.295 2306 I C 0.137 176.281 176.117 0.045 0.000 0.985 2306 I CA -0.628 60.707 61.300 0.059 0.000 1.221 2306 I CB 1.233 39.256 38.000 0.038 0.000 1.366 2306 I HN 0.404 nan 8.210 nan 0.000 0.467 2307 R N 6.723 127.246 120.500 0.037 0.000 2.387 2307 R HA 0.561 4.916 4.340 0.024 0.000 0.314 2307 R C -0.595 175.745 176.300 0.067 0.000 0.958 2307 R CA -0.843 55.283 56.100 0.043 0.000 0.846 2307 R CB 1.522 31.832 30.300 0.017 0.000 1.147 2307 R HN 0.560 nan 8.270 nan 0.000 0.447 2308 L N 1.103 122.391 121.223 0.108 0.000 2.475 2308 L HA 0.232 4.587 4.340 0.024 0.000 0.253 2308 L C 1.269 178.206 176.870 0.111 0.000 1.198 2308 L CA -0.166 54.761 54.840 0.146 0.000 0.814 2308 L CB 0.478 42.685 42.059 0.246 0.000 1.134 2308 L HN 0.668 nan 8.230 nan 0.000 0.478 2309 S N -0.814 114.954 115.700 0.114 0.000 2.693 2309 S HA 0.199 4.683 4.470 0.024 0.000 0.276 2309 S C 0.541 175.187 174.600 0.076 0.000 1.192 2309 S CA -0.663 57.583 58.200 0.076 0.000 0.994 2309 S CB 0.996 64.233 63.200 0.060 0.000 1.012 2309 S HN 0.625 nan 8.310 nan 0.000 0.550 2310 N N 0.375 119.102 118.700 0.044 0.000 2.223 2310 N HA -0.121 4.633 4.740 0.024 0.000 0.185 2310 N C 1.571 177.096 175.510 0.025 0.000 1.016 2310 N CA 1.048 54.117 53.050 0.031 0.000 0.863 2310 N CB -0.165 38.329 38.487 0.011 0.000 0.983 2310 N HN 0.750 nan 8.380 nan 0.000 0.429 2311 E N 1.541 121.752 120.200 0.018 0.000 2.106 2311 E HA -0.161 4.203 4.350 0.024 0.000 0.192 2311 E C 1.068 177.660 176.600 -0.013 0.000 0.984 2311 E CA 1.279 57.673 56.400 -0.010 0.000 0.806 2311 E CB -0.118 29.574 29.700 -0.013 0.000 0.750 2311 E HN 0.227 nan 8.360 nan 0.000 0.458 2312 D N -0.410 120.027 120.400 0.063 0.000 2.144 2312 D HA -0.122 4.533 4.640 0.024 0.000 0.199 2312 D C 1.983 178.398 176.300 0.192 0.000 0.984 2312 D CA 1.148 55.232 54.000 0.140 0.000 0.834 2312 D CB -0.088 40.889 40.800 0.295 0.000 0.955 2312 D HN 0.130 nan 8.370 nan 0.000 0.465 2313 V N 1.217 121.240 119.914 0.181 0.000 2.343 2313 V HA -0.230 3.904 4.120 0.024 0.000 0.247 2313 V C 2.529 178.674 176.094 0.086 0.000 1.051 2313 V CA 1.499 63.908 62.300 0.182 0.000 1.036 2313 V CB -0.361 31.519 31.823 0.096 0.000 0.654 2313 V HN 0.134 nan 8.190 nan 0.000 0.451 2314 R N -0.111 120.385 120.500 -0.006 0.000 2.105 2314 R HA -0.168 4.187 4.340 0.024 0.000 0.239 2314 R C 2.409 178.609 176.300 -0.166 0.000 1.135 2314 R CA 1.438 57.495 56.100 -0.071 0.000 0.967 2314 R CB -0.281 29.971 30.300 -0.081 0.000 0.861 2314 R HN 0.521 nan 8.270 nan 0.000 0.442 2315 K N -0.432 119.783 120.400 -0.309 0.000 2.057 2315 K HA -0.108 4.226 4.320 0.024 0.000 0.206 2315 K C 1.858 178.090 176.600 -0.614 0.000 1.050 2315 K CA 1.265 57.137 56.287 -0.693 0.000 0.935 2315 K CB -0.132 31.557 32.500 -1.352 0.000 0.715 2315 K HN 0.052 nan 8.250 nan 0.000 0.439 2316 F N 1.314 121.100 119.950 -0.272 0.000 2.186 2316 F HA -0.083 4.450 4.527 0.010 0.000 0.299 2316 F C 2.533 178.258 175.800 -0.125 0.000 1.090 2316 F CA 1.091 59.041 58.000 -0.084 0.000 1.307 2316 F CB -0.212 38.767 39.000 -0.035 0.000 1.019 2316 F HN -0.039 nan 8.300 nan 0.000 0.489 2317 R N 0.460 120.989 120.500 0.049 0.000 2.091 2317 R HA -0.165 4.190 4.340 0.024 0.000 0.238 2317 R C 2.277 178.497 176.300 -0.134 0.000 1.136 2317 R CA 1.489 57.562 56.100 -0.045 0.000 0.959 2317 R CB -0.124 30.151 30.300 -0.043 0.000 0.856 2317 R HN 0.181 nan 8.270 nan 0.000 0.437 2318 R N -0.061 120.355 120.500 -0.139 0.000 2.120 2318 R HA -0.082 4.273 4.340 0.024 0.000 0.234 2318 R C 2.240 178.463 176.300 -0.128 0.000 1.123 2318 R CA 1.245 57.257 56.100 -0.148 0.000 0.975 2318 R CB -0.158 30.043 30.300 -0.164 0.000 0.866 2318 R HN 0.274 nan 8.270 nan 0.000 0.446 2319 L N -0.545 120.622 121.223 -0.095 0.000 2.127 2319 L HA 0.044 4.399 4.340 0.024 0.000 0.203 2319 L C 2.607 179.436 176.870 -0.068 0.000 1.080 2319 L CA 0.757 55.572 54.840 -0.041 0.000 0.768 2319 L CB -0.508 41.575 42.059 0.040 0.000 0.924 2319 L HN 0.198 nan 8.230 nan 0.000 0.444 2320 A N 0.787 123.548 122.820 -0.099 0.000 1.865 2320 A HA -0.199 4.135 4.320 0.024 0.000 0.217 2320 A C 2.213 179.437 177.584 -0.600 0.000 1.191 2320 A CA 1.582 53.505 52.037 -0.191 0.000 0.623 2320 A CB -0.717 18.238 19.000 -0.075 0.000 0.826 2320 A HN 0.316 nan 8.150 nan 0.000 0.444 2321 I N -0.167 119.926 120.570 -0.795 0.000 2.208 2321 I HA -0.193 3.992 4.170 0.024 0.000 0.245 2321 I C -0.599 175.403 176.117 -0.191 0.000 1.097 2321 I CA 1.552 62.279 61.300 -0.955 0.000 1.363 2321 I CB -1.309 36.322 38.000 -0.615 0.000 1.051 2321 I HN 0.220 nan 8.210 nan 0.000 0.413 2322 P HA -0.104 nan 4.420 nan 0.000 0.220 2322 P C 1.853 179.244 177.300 0.153 0.000 1.148 2322 P CA 1.372 64.512 63.100 0.067 0.000 0.803 2322 P CB 0.042 31.738 31.700 -0.007 0.000 0.782 2323 I N -2.345 118.281 120.570 0.093 0.000 2.315 2323 I HA -0.196 3.988 4.170 0.024 0.000 0.248 2323 I C 2.001 178.298 176.117 0.299 0.000 1.117 2323 I CA 1.047 62.470 61.300 0.205 0.000 1.404 2323 I CB -0.622 37.474 38.000 0.159 0.000 1.071 2323 I HN 0.013 nan 8.210 nan 0.000 0.419 2324 W N 1.029 122.328 121.300 -0.001 0.000 2.317 2324 W HA -0.213 4.461 4.660 0.024 0.000 0.318 2324 W C 2.458 178.706 176.519 -0.451 0.000 1.227 2324 W CA 0.997 58.154 57.345 -0.313 0.000 1.269 2324 W CB -1.677 27.540 29.460 -0.407 0.000 1.155 2324 W HN 0.083 nan 8.180 nan 0.000 0.484 2325 F N 0.558 120.515 119.950 0.011 0.000 2.171 2325 F HA -0.170 4.370 4.527 0.022 0.000 0.300 2325 F C 2.480 178.291 175.800 0.018 0.000 1.090 2325 F CA 2.128 60.108 58.000 -0.034 0.000 1.293 2325 F CB -0.822 38.218 39.000 0.067 0.000 1.013 2325 F HN -0.146 nan 8.300 nan 0.000 0.486 2326 K N -0.547 119.993 120.400 0.234 0.000 2.026 2326 K HA -0.225 4.109 4.320 0.024 0.000 0.208 2326 K C 1.995 178.623 176.600 0.047 0.000 1.048 2326 K CA 1.928 58.285 56.287 0.117 0.000 0.929 2326 K CB -0.471 32.091 32.500 0.102 0.000 0.713 2326 K HN 0.242 nan 8.250 nan 0.000 0.439 2327 W N 0.649 121.969 121.300 0.033 0.000 2.418 2327 W HA 0.031 4.706 4.660 0.025 0.000 0.292 2327 W C 2.411 179.013 176.519 0.139 0.000 1.213 2327 W CA 1.261 58.653 57.345 0.080 0.000 1.283 2327 W CB -0.416 29.052 29.460 0.013 0.000 1.119 2327 W HN 0.237 nan 8.180 nan 0.000 0.542 2328 A N 1.353 124.282 122.820 0.182 0.000 1.908 2328 A HA -0.258 4.077 4.320 0.024 0.000 0.218 2328 A C 1.976 179.518 177.584 -0.070 0.000 1.181 2328 A CA 2.259 54.175 52.037 -0.202 0.000 0.627 2328 A CB -0.953 17.723 19.000 -0.540 0.000 0.818 2328 A HN 0.453 nan 8.150 nan 0.000 0.445 2329 K N -0.553 119.847 120.400 0.000 0.000 2.504 2329 K HA 0.020 4.355 4.320 0.024 0.000 0.195 2329 K C 1.691 178.283 176.600 -0.013 0.000 1.036 2329 K CA 1.149 57.442 56.287 0.011 0.000 0.984 2329 K CB -0.412 32.113 32.500 0.041 0.000 0.788 2329 K HN 0.469 nan 8.250 nan 0.000 0.488 2330 M N 1.664 121.252 119.600 -0.019 0.000 2.089 2330 M HA -0.195 4.299 4.480 0.024 0.000 0.257 2330 M C 0.219 176.507 176.300 -0.020 0.000 1.071 2330 M CA 1.937 57.212 55.300 -0.043 0.000 1.096 2330 M CB -0.548 32.011 32.600 -0.068 0.000 1.330 2330 M HN 0.470 nan 8.290 nan 0.000 0.403 2331 D N -2.206 118.196 120.400 0.004 0.000 2.664 2331 D HA 0.165 4.820 4.640 0.024 0.000 0.292 2331 D C 0.097 176.367 176.300 -0.049 0.000 1.214 2331 D CA -0.756 53.238 54.000 -0.010 0.000 0.932 2331 D CB 0.287 41.107 40.800 0.033 0.000 1.420 2331 D HN 0.086 nan 8.370 nan 0.000 0.471 2332 K N -0.819 119.496 120.400 -0.142 0.000 2.209 2332 K HA -0.167 4.167 4.320 0.024 0.000 0.204 2332 K C 1.054 177.511 176.600 -0.239 0.000 1.048 2332 K CA 1.149 57.296 56.287 -0.234 0.000 0.940 2332 K CB -0.509 31.776 32.500 -0.359 0.000 0.729 2332 K HN 0.353 nan 8.250 nan 0.000 0.451 2333 Y N 2.434 122.731 120.300 -0.004 0.000 2.206 2333 Y HA -0.117 4.448 4.550 0.024 0.000 0.292 2333 Y C 3.063 178.955 175.900 -0.014 0.000 1.123 2333 Y CA 1.270 59.371 58.100 0.003 0.000 1.142 2333 Y CB -0.493 37.976 38.460 0.015 0.000 1.006 2333 Y HN 0.287 nan 8.280 nan 0.000 0.518 2334 S N 0.376 116.154 115.700 0.130 0.000 2.382 2334 S HA -0.190 4.295 4.470 0.024 0.000 0.228 2334 S C 2.005 176.465 174.600 -0.233 0.000 1.027 2334 S CA 1.038 59.209 58.200 -0.047 0.000 0.991 2334 S CB -0.469 62.784 63.200 0.088 0.000 0.823 2334 S HN 0.379 nan 8.310 nan 0.000 0.469 2335 R N 1.059 121.496 120.500 -0.104 0.000 2.081 2335 R HA -0.050 4.304 4.340 0.024 0.000 0.235 2335 R C 2.647 178.905 176.300 -0.071 0.000 1.131 2335 R CA 1.633 57.682 56.100 -0.084 0.000 0.960 2335 R CB -0.382 29.891 30.300 -0.045 0.000 0.856 2335 R HN 0.678 nan 8.270 nan 0.000 0.436 2336 E N 0.397 120.571 120.200 -0.043 0.000 2.072 2336 E HA -0.160 4.205 4.350 0.024 0.000 0.191 2336 E C 1.918 178.535 176.600 0.028 0.000 0.985 2336 E CA 1.056 57.453 56.400 -0.005 0.000 0.801 2336 E CB 0.021 29.735 29.700 0.024 0.000 0.750 2336 E HN 0.347 nan 8.360 nan 0.000 0.452 2337 A N 0.649 123.492 122.820 0.039 0.000 1.873 2337 A HA -0.164 4.171 4.320 0.024 0.000 0.215 2337 A C 1.972 179.480 177.584 -0.128 0.000 1.186 2337 A CA 1.170 53.286 52.037 0.132 0.000 0.616 2337 A CB -0.843 18.244 19.000 0.146 0.000 0.823 2337 A HN 0.472 nan 8.150 nan 0.000 0.442 2338 F N 1.086 120.689 119.950 -0.578 0.000 2.186 2338 F HA -0.020 4.521 4.527 0.023 0.000 0.299 2338 F C 2.495 178.113 175.800 -0.304 0.000 1.090 2338 F CA 0.722 58.356 58.000 -0.610 0.000 1.307 2338 F CB -0.551 37.921 39.000 -0.879 0.000 1.019 2338 F HN 0.251 nan 8.300 nan 0.000 0.489 2339 A N -0.075 122.583 122.820 -0.269 0.000 1.883 2339 A HA -0.242 4.093 4.320 0.024 0.000 0.217 2339 A C 2.395 179.849 177.584 -0.216 0.000 1.186 2339 A CA 2.572 54.461 52.037 -0.247 0.000 0.624 2339 A CB -1.421 17.525 19.000 -0.090 0.000 0.822 2339 A HN 0.499 nan 8.150 nan 0.000 0.444 2340 S N -0.806 114.849 115.700 -0.075 0.000 2.414 2340 S HA -0.153 4.332 4.470 0.024 0.000 0.227 2340 S C 1.907 176.511 174.600 0.007 0.000 1.022 2340 S CA 1.129 59.357 58.200 0.047 0.000 0.958 2340 S CB -0.416 62.916 63.200 0.220 0.000 0.797 2340 S HN 0.676 nan 8.310 nan 0.000 0.493 2341 Q N 0.381 120.037 119.800 -0.240 0.000 2.119 2341 Q HA 0.055 4.410 4.340 0.024 0.000 0.201 2341 Q C 2.178 177.942 176.000 -0.394 0.000 0.972 2341 Q CA 1.262 56.781 55.803 -0.474 0.000 0.847 2341 Q CB -0.364 27.952 28.738 -0.704 0.000 0.903 2341 Q HN 0.491 nan 8.270 nan 0.000 0.433 2342 L N 1.345 122.220 121.223 -0.581 0.000 2.056 2342 L HA -0.175 4.179 4.340 0.024 0.000 0.207 2342 L C 2.395 179.144 176.870 -0.202 0.000 1.078 2342 L CA 2.600 57.137 54.840 -0.505 0.000 0.749 2342 L CB -0.842 40.735 42.059 -0.803 0.000 0.901 2342 L HN 0.257 nan 8.230 nan 0.000 0.433 2343 E N -1.173 118.939 120.200 -0.146 0.000 2.077 2343 E HA -0.329 4.035 4.350 0.024 0.000 0.193 2343 E C 2.136 178.762 176.600 0.044 0.000 0.989 2343 E CA 1.580 57.959 56.400 -0.035 0.000 0.800 2343 E CB -1.477 28.209 29.700 -0.023 0.000 0.746 2343 E HN 0.671 nan 8.360 nan 0.000 0.452 2344 Y N 0.560 120.785 120.300 -0.126 0.000 2.163 2344 Y HA -0.059 4.507 4.550 0.027 0.000 0.288 2344 Y C 2.372 178.182 175.900 -0.150 0.000 1.136 2344 Y CA 1.833 59.857 58.100 -0.126 0.000 1.147 2344 Y CB -0.567 37.807 38.460 -0.142 0.000 0.987 2344 Y HN 0.218 nan 8.280 nan 0.000 0.509 2345 M N -0.108 119.384 119.600 -0.181 0.000 2.149 2345 M HA -0.260 4.235 4.480 0.024 0.000 0.261 2345 M C 2.069 178.354 176.300 -0.025 0.000 1.064 2345 M CA 1.857 57.029 55.300 -0.215 0.000 1.102 2345 M CB -0.328 32.203 32.600 -0.116 0.000 1.369 2345 M HN 0.143 nan 8.290 nan 0.000 0.408 2346 K N -0.070 120.340 120.400 0.016 0.000 2.057 2346 K HA -0.069 4.266 4.320 0.024 0.000 0.206 2346 K C 2.113 178.745 176.600 0.054 0.000 1.050 2346 K CA 1.289 57.609 56.287 0.055 0.000 0.935 2346 K CB -0.457 32.074 32.500 0.051 0.000 0.715 2346 K HN 0.443 nan 8.250 nan 0.000 0.439 2347 G N 2.091 110.925 108.800 0.056 0.000 2.442 2347 G HA2 -0.211 3.763 3.960 0.024 0.000 0.219 2347 G HA3 -0.211 3.763 3.960 0.024 0.000 0.219 2347 G C 1.404 176.341 174.900 0.062 0.000 1.141 2347 G CA 0.999 46.144 45.100 0.074 0.000 0.763 2347 G HN 0.457 nan 8.290 nan 0.000 0.554 2348 I N -2.973 117.605 120.570 0.014 0.000 3.904 2348 I HA 0.533 4.718 4.170 0.024 0.000 0.333 2348 I C 1.342 177.537 176.117 0.130 0.000 1.361 2348 I CA 0.222 61.532 61.300 0.017 0.000 1.116 2348 I CB 0.073 37.983 38.000 -0.149 0.000 1.028 2348 I HN 0.168 nan 8.210 nan 0.000 0.398 2349 G N 1.150 110.027 108.800 0.129 0.000 2.153 2349 G HA2 -0.338 3.636 3.960 0.024 0.000 0.252 2349 G HA3 -0.338 3.636 3.960 0.024 0.000 0.252 2349 G C 0.264 175.293 174.900 0.215 0.000 0.994 2349 G CA 0.523 45.712 45.100 0.149 0.000 0.698 2349 G HN 0.492 nan 8.290 nan 0.000 0.521 2350 Y N -0.965 119.326 120.300 -0.015 0.000 2.519 2350 Y HA 0.467 5.036 4.550 0.032 0.000 0.287 2350 Y C 1.590 177.544 175.900 0.090 0.000 1.128 2350 Y CA 0.707 58.815 58.100 0.013 0.000 1.282 2350 Y CB 0.567 38.999 38.460 -0.047 0.000 1.027 2350 Y HN 0.413 nan 8.280 nan 0.000 0.551 2351 V N -0.152 119.902 119.914 0.234 0.000 2.932 2351 V HA 0.568 4.703 4.120 0.024 0.000 0.307 2351 V C -0.829 175.354 176.094 0.148 0.000 1.147 2351 V CA -0.454 61.977 62.300 0.218 0.000 0.951 2351 V CB 2.182 34.197 31.823 0.321 0.000 1.031 2351 V HN 0.150 nan 8.190 nan 0.000 0.426 2352 T N 0.889 115.513 114.554 0.117 0.000 2.885 2352 T HA 0.461 4.825 4.350 0.024 0.000 0.285 2352 T C 0.371 175.120 174.700 0.082 0.000 1.019 2352 T CA -0.606 61.544 62.100 0.084 0.000 1.010 2352 T CB 1.701 70.602 68.868 0.055 0.000 1.022 2352 T HN 0.611 nan 8.240 nan 0.000 0.466 2353 D N 0.855 121.297 120.400 0.069 0.000 2.178 2353 D HA -0.116 4.538 4.640 0.024 0.000 0.201 2353 D C 1.619 177.942 176.300 0.038 0.000 0.980 2353 D CA 1.195 55.232 54.000 0.061 0.000 0.842 2353 D CB 0.192 41.021 40.800 0.048 0.000 0.948 2353 D HN 0.839 nan 8.370 nan 0.000 0.472 2354 E N 0.699 120.917 120.200 0.030 0.000 2.110 2354 E HA -0.190 4.175 4.350 0.024 0.000 0.193 2354 E C 1.955 178.560 176.600 0.009 0.000 0.988 2354 E CA 0.869 57.278 56.400 0.015 0.000 0.804 2354 E CB 0.136 29.844 29.700 0.013 0.000 0.745 2354 E HN 0.289 nan 8.360 nan 0.000 0.458 2355 E N 0.215 120.428 120.200 0.020 0.000 2.072 2355 E HA -0.190 4.175 4.350 0.024 0.000 0.191 2355 E C 2.095 178.697 176.600 0.002 0.000 0.985 2355 E CA 0.913 57.320 56.400 0.012 0.000 0.801 2355 E CB -0.055 29.664 29.700 0.031 0.000 0.750 2355 E HN 0.281 nan 8.360 nan 0.000 0.452 2356 L N 0.576 121.815 121.223 0.027 0.000 2.083 2356 L HA -0.096 4.259 4.340 0.024 0.000 0.209 2356 L C 2.006 178.846 176.870 -0.050 0.000 1.083 2356 L CA 1.376 56.216 54.840 -0.001 0.000 0.752 2356 L CB -0.917 41.175 42.059 0.054 0.000 0.899 2356 L HN 0.086 nan 8.230 nan 0.000 0.433 2357 K N 0.000 120.383 120.400 -0.027 0.000 2.780 2357 K HA 0.000 4.335 4.320 0.024 0.000 0.191 2357 K CA 0.000 56.265 56.287 -0.037 0.000 0.838 2357 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 2357 K HN 0.000 nan 8.250 nan 0.000 0.543