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 3oae_1_A DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVA RTNIYYHAGT SRLLAVGHPY FPIKKPNNNK ILVPKVSGLQ DATA SEQUENCE YRVFRIHLPD PNKFGFPDTS FYNPDTQRLV WACVGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENASAYAANA GVDNRECISM DYKQTQLCLI GCKPPIGEHW DATA SEQUENCE GKGSPCTQVA VQPGDCPPLE LINTVIQDGD MVDTGFGAMD FTTLQANKSE DATA SEQUENCE VPLDICTSIC KYPDYIKMVS EPYGDSLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE NVPDDLYIKG SGSTANLASS NYFPTPSGSM VTSDAQIFNK PYWLQRAQGH DATA SEQUENCE NNGICWGNQL FVTVVDTTRS TNMSLCAAIS TSETTYKNTN FKEYLRHGEE DATA SEQUENCE YDLQFIFQLC KITLTADVMT YIHSMNSTIL EDWNXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXED PLKKYTFWEV NLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQLGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.642 177.584 0.097 0.000 1.274 20 A CA 0.000 52.066 52.037 0.049 0.000 0.836 20 A CB 0.000 19.036 19.000 0.059 0.000 0.831 21 V N 1.580 121.513 119.914 0.032 0.000 2.743 21 V HA 0.710 4.830 4.120 0.001 0.000 0.301 21 V C 0.389 176.424 176.094 -0.099 0.000 1.057 21 V CA 0.010 62.353 62.300 0.072 0.000 1.006 21 V CB 1.469 33.238 31.823 -0.091 0.000 1.024 21 V HN 1.535 nan 8.190 nan 0.000 0.473 22 V N 0.604 120.544 119.914 0.043 0.000 3.040 22 V HA 0.717 4.837 4.120 0.001 0.000 0.312 22 V C 0.000 176.068 176.094 -0.044 0.000 1.115 22 V CA -0.789 61.410 62.300 -0.168 0.000 0.998 22 V CB 1.747 33.559 31.823 -0.018 0.000 1.042 22 V HN 0.817 nan 8.190 nan 0.000 0.433 23 S N 1.246 116.946 115.700 0.000 0.000 2.563 23 S HA 0.106 4.576 4.470 0.001 0.000 0.284 23 S C 1.542 176.163 174.600 0.036 0.000 1.331 23 S CA 0.490 58.795 58.200 0.175 0.000 1.047 23 S CB 0.869 64.170 63.200 0.169 0.000 0.859 23 S HN 1.618 nan 8.310 nan 0.000 0.514 24 T N 0.971 115.503 114.554 -0.036 0.000 2.962 24 T HA -0.055 4.296 4.350 0.001 0.000 0.270 24 T C 0.900 175.336 174.700 -0.440 0.000 1.088 24 T CA 1.142 62.971 62.100 -0.452 0.000 1.127 24 T CB -0.463 68.284 68.868 -0.202 0.000 0.883 24 T HN 0.653 nan 8.240 nan 0.000 0.493 25 D N 1.502 121.797 120.400 -0.176 0.000 2.309 25 D HA -0.066 4.575 4.640 0.001 0.000 0.212 25 D C 2.137 178.380 176.300 -0.094 0.000 0.968 25 D CA 0.668 54.602 54.000 -0.110 0.000 0.882 25 D CB -0.139 40.641 40.800 -0.033 0.000 0.918 25 D HN 0.544 nan 8.370 nan 0.000 0.503 26 E N 0.013 120.154 120.200 -0.098 0.000 2.028 26 E HA -0.139 4.212 4.350 0.001 0.000 0.191 26 E C 1.872 178.505 176.600 0.055 0.000 0.988 26 E CA 0.909 57.311 56.400 0.003 0.000 0.799 26 E CB -0.174 29.573 29.700 0.079 0.000 0.755 26 E HN 0.589 nan 8.360 nan 0.000 0.447 27 Y N -1.314 118.983 120.300 -0.005 0.000 2.444 27 Y HA 0.381 4.931 4.550 0.001 0.000 0.249 27 Y C 0.539 176.489 175.900 0.082 0.000 1.134 27 Y CA -0.412 57.701 58.100 0.022 0.000 1.261 27 Y CB 0.268 38.722 38.460 -0.010 0.000 1.143 27 Y HN -0.336 nan 8.280 nan 0.000 0.523 28 V N 2.430 122.246 119.914 -0.162 0.000 2.370 28 V HA 0.731 4.852 4.120 0.001 0.000 0.279 28 V C 0.181 176.242 176.094 -0.055 0.000 1.029 28 V CA -1.069 61.191 62.300 -0.067 0.000 0.870 28 V CB 0.724 32.443 31.823 -0.174 0.000 0.984 28 V HN 0.402 nan 8.190 nan 0.000 0.451 29 A N 6.281 129.091 122.820 -0.017 0.000 2.309 29 A HA 0.715 5.036 4.320 0.001 0.000 0.298 29 A C 0.108 177.656 177.584 -0.061 0.000 1.165 29 A CA -0.695 51.326 52.037 -0.026 0.000 0.821 29 A CB 0.535 19.536 19.000 0.001 0.000 1.102 29 A HN 0.717 nan 8.150 nan 0.000 0.500 30 R N 1.950 122.414 120.500 -0.061 0.000 2.229 30 R HA 0.329 4.670 4.340 0.001 0.000 0.328 30 R C 0.636 176.874 176.300 -0.103 0.000 1.009 30 R CA 0.040 56.086 56.100 -0.089 0.000 0.864 30 R CB 1.066 31.330 30.300 -0.061 0.000 1.085 30 R HN 0.951 nan 8.270 nan 0.000 0.453 31 T N -1.547 112.902 114.554 -0.175 0.000 2.865 31 T HA 0.111 4.462 4.350 0.001 0.000 0.302 31 T C 0.825 175.397 174.700 -0.214 0.000 1.078 31 T CA -0.390 61.591 62.100 -0.198 0.000 0.942 31 T CB 0.815 69.472 68.868 -0.351 0.000 1.387 31 T HN 0.616 nan 8.240 nan 0.000 0.557 32 N N -1.029 117.559 118.700 -0.186 0.000 2.187 32 N HA 0.272 5.013 4.740 0.001 0.000 0.212 32 N C -0.198 175.271 175.510 -0.068 0.000 1.152 32 N CA -0.281 52.725 53.050 -0.074 0.000 0.872 32 N CB 0.123 38.627 38.487 0.028 0.000 1.025 32 N HN 0.536 nan 8.380 nan 0.000 0.514 33 I N 1.316 121.753 120.570 -0.222 0.000 2.365 33 I HA 0.218 4.389 4.170 0.001 0.000 0.291 33 I C -0.971 175.126 176.117 -0.033 0.000 1.004 33 I CA -0.379 60.904 61.300 -0.027 0.000 1.311 33 I CB 0.511 38.482 38.000 -0.049 0.000 1.401 33 I HN -0.051 nan 8.210 nan 0.000 0.491 34 Y N 4.753 125.200 120.300 0.245 0.000 2.442 34 Y HA 0.547 5.097 4.550 0.001 0.000 0.344 34 Y C -0.768 175.246 175.900 0.190 0.000 0.976 34 Y CA -0.685 57.555 58.100 0.233 0.000 1.040 34 Y CB 1.976 40.494 38.460 0.098 0.000 1.228 34 Y HN 0.329 nan 8.280 nan 0.000 0.451 35 Y N 1.281 121.687 120.300 0.176 0.000 2.536 35 Y HA 0.383 4.934 4.550 0.001 0.000 0.347 35 Y C -0.234 175.536 175.900 -0.217 0.000 1.000 35 Y CA -1.162 56.939 58.100 0.000 0.000 1.051 35 Y CB 1.619 40.036 38.460 -0.071 0.000 1.259 35 Y HN 0.582 nan 8.280 nan 0.000 0.468 36 H N 1.466 120.387 119.070 -0.249 0.000 2.499 36 H HA 0.888 5.444 4.556 0.001 0.000 0.340 36 H C -1.670 173.308 175.328 -0.584 0.000 1.148 36 H CA -0.578 55.211 56.048 -0.432 0.000 1.215 36 H CB 1.702 31.140 29.762 -0.539 0.000 1.529 36 H HN 0.824 nan 8.280 nan 0.000 0.510 37 A N 2.288 124.455 122.820 -1.088 0.000 2.574 37 A HA 0.664 4.985 4.320 0.001 0.000 0.297 37 A C -0.980 176.287 177.584 -0.528 0.000 1.062 37 A CA -0.041 51.607 52.037 -0.649 0.000 0.686 37 A CB 1.789 20.372 19.000 -0.695 0.000 1.285 37 A HN 0.948 nan 8.150 nan 0.000 0.403 38 G N -0.032 108.665 108.800 -0.172 0.000 2.703 38 G HA2 0.681 4.641 3.960 0.001 0.000 0.294 38 G HA3 0.681 4.641 3.960 0.001 0.000 0.294 38 G C -0.388 174.534 174.900 0.036 0.000 1.451 38 G CA 0.262 45.342 45.100 -0.034 0.000 0.869 38 G HN 1.538 nan 8.290 nan 0.000 0.516 39 T N -1.389 113.177 114.554 0.021 0.000 2.899 39 T HA 0.446 4.796 4.350 0.001 0.000 0.295 39 T C 1.873 176.592 174.700 0.033 0.000 1.033 39 T CA 0.700 62.807 62.100 0.011 0.000 1.084 39 T CB 1.390 70.216 68.868 -0.070 0.000 0.979 39 T HN 1.290 nan 8.240 nan 0.000 0.532 40 S N 1.614 117.347 115.700 0.056 0.000 2.338 40 S HA -0.047 4.423 4.470 0.001 0.000 0.218 40 S C 0.968 175.595 174.600 0.046 0.000 1.032 40 S CA 0.521 58.761 58.200 0.067 0.000 0.999 40 S CB -0.457 62.789 63.200 0.078 0.000 0.905 40 S HN 1.047 nan 8.310 nan 0.000 0.439 41 R N 0.255 120.782 120.500 0.044 0.000 3.599 41 R HA 0.196 4.536 4.340 0.001 0.000 0.310 41 R C -1.989 174.357 176.300 0.077 0.000 1.004 41 R CA -0.281 55.841 56.100 0.037 0.000 1.105 41 R CB -0.110 30.215 30.300 0.041 0.000 1.350 41 R HN 0.405 nan 8.270 nan 0.000 0.412 42 L N 4.097 125.356 121.223 0.060 0.000 2.397 42 L HA 0.463 4.803 4.340 0.001 0.000 0.271 42 L C -0.232 176.797 176.870 0.265 0.000 1.148 42 L CA -0.694 54.246 54.840 0.166 0.000 0.825 42 L CB 0.705 42.697 42.059 -0.111 0.000 1.117 42 L HN 0.403 nan 8.230 nan 0.000 0.456 43 L N 2.662 124.120 121.223 0.392 0.000 2.401 43 L HA 0.801 5.141 4.340 0.001 0.000 0.266 43 L C -0.713 176.397 176.870 0.401 0.000 0.991 43 L CA -0.270 54.765 54.840 0.325 0.000 0.818 43 L CB 1.950 44.123 42.059 0.191 0.000 1.321 43 L HN 0.701 nan 8.230 nan 0.000 0.413 44 A N 3.943 126.971 122.820 0.346 0.000 2.375 44 A HA 0.829 5.149 4.320 0.001 0.000 0.295 44 A C -1.749 175.941 177.584 0.177 0.000 1.066 44 A CA -0.484 51.718 52.037 0.275 0.000 0.722 44 A CB 1.498 20.740 19.000 0.402 0.000 1.206 44 A HN 0.410 nan 8.150 nan 0.000 0.435 45 V N 1.484 121.463 119.914 0.108 0.000 2.709 45 V HA 0.954 5.075 4.120 0.001 0.000 0.308 45 V C 0.542 176.673 176.094 0.062 0.000 1.062 45 V CA 0.285 62.631 62.300 0.076 0.000 0.901 45 V CB 1.526 33.373 31.823 0.042 0.000 1.003 45 V HN 1.657 nan 8.190 nan 0.000 0.425 46 G N 1.447 110.287 108.800 0.066 0.000 2.490 46 G HA2 0.364 4.325 3.960 0.001 0.000 0.308 46 G HA3 0.364 4.325 3.960 0.001 0.000 0.308 46 G C -1.766 173.160 174.900 0.044 0.000 1.286 46 G CA -0.634 44.503 45.100 0.061 0.000 0.825 46 G HN 0.740 nan 8.290 nan 0.000 0.479 47 H N 1.710 120.741 119.070 -0.064 0.000 2.502 47 H HA 0.381 4.938 4.556 0.001 0.000 0.327 47 H C -1.413 173.777 175.328 -0.231 0.000 1.099 47 H CA -1.578 54.361 56.048 -0.181 0.000 1.323 47 H CB 2.552 32.166 29.762 -0.248 0.000 1.450 47 H HN 0.172 nan 8.280 nan 0.000 0.502 48 P HA -0.129 nan 4.420 nan 0.000 0.219 48 P C 0.644 177.884 177.300 -0.101 0.000 1.150 48 P CA 1.432 64.299 63.100 -0.389 0.000 0.814 48 P CB 0.205 31.494 31.700 -0.685 0.000 0.787 49 Y N -0.927 119.367 120.300 -0.010 0.000 2.522 49 Y HA 0.215 4.766 4.550 0.001 0.000 0.277 49 Y C 1.105 176.993 175.900 -0.020 0.000 1.104 49 Y CA -0.730 57.333 58.100 -0.062 0.000 1.260 49 Y CB 0.236 38.640 38.460 -0.094 0.000 1.151 49 Y HN -0.120 nan 8.280 nan 0.000 0.539 50 F N -2.009 118.082 119.950 0.234 0.000 2.693 50 F HA 0.616 5.144 4.527 0.001 0.000 0.309 50 F C -3.447 172.316 175.800 -0.062 0.000 1.129 50 F CA -3.616 54.397 58.000 0.022 0.000 0.948 50 F CB 0.496 39.467 39.000 -0.050 0.000 1.315 50 F HN -0.384 nan 8.300 nan 0.000 0.447 51 P HA 0.351 nan 4.420 nan 0.000 0.279 51 P C -0.811 176.597 177.300 0.180 0.000 1.239 51 P CA 0.035 63.227 63.100 0.153 0.000 0.789 51 P CB 1.867 33.626 31.700 0.099 0.000 0.933 52 I N 3.932 124.578 120.570 0.127 0.000 2.325 52 I HA 0.273 4.443 4.170 0.001 0.000 0.291 52 I C 1.026 177.185 176.117 0.070 0.000 1.019 52 I CA 0.304 61.673 61.300 0.115 0.000 1.302 52 I CB 0.460 38.533 38.000 0.121 0.000 1.401 52 I HN 0.406 nan 8.210 nan 0.000 0.485 53 K N 4.162 124.590 120.400 0.047 0.000 2.469 53 K HA 0.608 4.928 4.320 0.001 0.000 0.268 53 K C -0.924 175.687 176.600 0.017 0.000 1.027 53 K CA -1.327 54.976 56.287 0.027 0.000 0.893 53 K CB 1.195 33.704 32.500 0.016 0.000 1.460 53 K HN 0.101 nan 8.250 nan 0.000 0.449 54 K N 2.149 122.556 120.400 0.011 0.000 2.383 54 K HA 0.105 4.425 4.320 0.001 0.000 0.286 54 K C -1.615 174.983 176.600 -0.003 0.000 1.051 54 K CA -1.791 54.500 56.287 0.007 0.000 0.974 54 K CB 0.727 33.230 32.500 0.006 0.000 0.968 54 K HN 0.335 nan 8.250 nan 0.000 0.475 55 P HA -0.273 nan 4.420 nan 0.000 0.214 55 P C 0.320 177.611 177.300 -0.015 0.000 1.163 55 P CA 1.703 64.793 63.100 -0.016 0.000 0.889 55 P CB -0.073 31.618 31.700 -0.016 0.000 0.790 56 N N -0.503 118.191 118.700 -0.010 0.000 2.244 56 N HA -0.096 4.645 4.740 0.001 0.000 0.183 56 N C 1.102 176.607 175.510 -0.009 0.000 1.016 56 N CA 0.691 53.735 53.050 -0.009 0.000 0.866 56 N CB -1.106 37.377 38.487 -0.007 0.000 0.980 56 N HN 0.270 nan 8.380 nan 0.000 0.430 57 N N 0.941 119.637 118.700 -0.007 0.000 2.495 57 N HA 0.068 4.808 4.740 0.001 0.000 0.294 57 N C -0.032 175.473 175.510 -0.008 0.000 1.276 57 N CA -0.157 52.889 53.050 -0.006 0.000 0.973 57 N CB 0.628 39.114 38.487 -0.002 0.000 1.143 57 N HN 0.301 nan 8.380 nan 0.000 0.589 58 N N -0.311 118.385 118.700 -0.006 0.000 2.036 58 N HA -0.025 4.715 4.740 0.001 0.000 0.228 58 N C -0.537 174.971 175.510 -0.004 0.000 1.368 58 N CA -0.194 52.852 53.050 -0.007 0.000 0.846 58 N CB 0.315 38.796 38.487 -0.009 0.000 1.145 58 N HN 0.390 nan 8.380 nan 0.000 0.502 59 K N 1.793 122.192 120.400 -0.003 0.000 2.412 59 K HA 0.177 4.497 4.320 0.001 0.000 0.281 59 K C -0.355 176.247 176.600 0.004 0.000 1.027 59 K CA -0.444 55.842 56.287 -0.001 0.000 0.989 59 K CB 0.466 32.965 32.500 -0.001 0.000 0.935 59 K HN 0.045 nan 8.250 nan 0.000 0.475 60 I N 5.139 125.711 120.570 0.004 0.000 2.436 60 I HA 0.009 4.180 4.170 0.001 0.000 0.289 60 I C 0.880 177.005 176.117 0.013 0.000 1.083 60 I CA -0.140 61.167 61.300 0.011 0.000 1.372 60 I CB 0.409 38.414 38.000 0.009 0.000 1.408 60 I HN 0.627 nan 8.210 nan 0.000 0.516 61 L N 6.917 128.154 121.223 0.022 0.000 2.127 61 L HA 0.297 4.638 4.340 0.001 0.000 0.203 61 L C 0.525 177.411 176.870 0.026 0.000 1.080 61 L CA 1.384 56.238 54.840 0.023 0.000 0.768 61 L CB 0.411 42.488 42.059 0.030 0.000 0.924 61 L HN 0.451 nan 8.230 nan 0.000 0.444 62 V N 1.609 121.547 119.914 0.041 0.000 2.577 62 V HA 0.441 4.562 4.120 0.001 0.000 0.303 62 V C -2.434 173.692 176.094 0.054 0.000 1.042 62 V CA -1.379 60.950 62.300 0.047 0.000 0.872 62 V CB 1.598 33.462 31.823 0.068 0.000 0.998 62 V HN 0.074 nan 8.190 nan 0.000 0.423 63 P HA 0.239 nan 4.420 nan 0.000 0.278 63 P C -1.020 176.318 177.300 0.064 0.000 1.258 63 P CA -0.715 62.409 63.100 0.040 0.000 0.811 63 P CB 1.331 33.036 31.700 0.009 0.000 1.063 64 K N 1.394 121.834 120.400 0.067 0.000 2.316 64 K HA 0.300 4.621 4.320 0.001 0.000 0.289 64 K C -1.227 175.413 176.600 0.066 0.000 1.070 64 K CA -0.338 55.995 56.287 0.078 0.000 0.928 64 K CB 0.053 32.609 32.500 0.094 0.000 1.039 64 K HN 0.218 nan 8.250 nan 0.000 0.480 65 V N 3.596 123.547 119.914 0.061 0.000 2.409 65 V HA 0.240 4.361 4.120 0.001 0.000 0.290 65 V C -0.440 175.649 176.094 -0.008 0.000 1.017 65 V CA -0.719 61.631 62.300 0.084 0.000 0.841 65 V CB 1.238 33.150 31.823 0.149 0.000 1.003 65 V HN 0.824 nan 8.190 nan 0.000 0.426 66 S N 3.259 118.915 115.700 -0.073 0.000 2.570 66 S HA 0.659 5.129 4.470 0.001 0.000 0.286 66 S C 1.104 175.559 174.600 -0.242 0.000 1.099 66 S CA 0.179 58.194 58.200 -0.309 0.000 0.913 66 S CB 2.073 65.215 63.200 -0.097 0.000 1.085 66 S HN 0.923 nan 8.310 nan 0.000 0.480 67 G N 1.505 110.065 108.800 -0.401 0.000 2.679 67 G HA2 0.095 4.055 3.960 0.001 0.000 0.212 67 G HA3 0.095 4.055 3.960 0.001 0.000 0.212 67 G C 0.682 175.596 174.900 0.023 0.000 1.137 67 G CA 0.260 45.334 45.100 -0.044 0.000 0.787 67 G HN 0.638 nan 8.290 nan 0.000 0.534 68 L N 0.045 121.278 121.223 0.017 0.000 2.653 68 L HA 0.276 4.616 4.340 0.001 0.000 0.231 68 L C 0.953 177.835 176.870 0.020 0.000 1.153 68 L CA 0.031 54.902 54.840 0.052 0.000 0.933 68 L CB 0.193 42.340 42.059 0.146 0.000 1.175 68 L HN 0.207 nan 8.230 nan 0.000 0.473 69 Q N -1.364 118.456 119.800 0.034 0.000 2.215 69 Q HA 0.367 4.707 4.340 0.001 0.000 0.256 69 Q C -1.183 174.845 176.000 0.047 0.000 0.972 69 Q CA -0.863 54.983 55.803 0.072 0.000 0.889 69 Q CB 1.249 30.050 28.738 0.104 0.000 1.281 69 Q HN -0.002 nan 8.270 nan 0.000 0.456 70 Y N 0.456 120.785 120.300 0.048 0.000 2.304 70 Y HA 0.211 4.762 4.550 0.001 0.000 0.327 70 Y C 0.360 176.249 175.900 -0.018 0.000 1.209 70 Y CA -0.089 58.027 58.100 0.027 0.000 1.299 70 Y CB 0.862 39.326 38.460 0.007 0.000 1.249 70 Y HN 0.214 nan 8.280 nan 0.000 0.519 71 R N 2.322 122.861 120.500 0.065 0.000 2.371 71 R HA 0.418 4.758 4.340 0.001 0.000 0.312 71 R C -1.780 174.272 176.300 -0.413 0.000 0.980 71 R CA -0.682 55.262 56.100 -0.260 0.000 0.867 71 R CB 1.236 31.252 30.300 -0.472 0.000 1.163 71 R HN 0.413 nan 8.270 nan 0.000 0.492 72 V N 5.423 125.160 119.914 -0.295 0.000 2.334 72 V HA 0.411 4.532 4.120 0.001 0.000 0.281 72 V C -0.271 175.712 176.094 -0.184 0.000 1.016 72 V CA -0.671 61.559 62.300 -0.115 0.000 0.832 72 V CB 0.749 32.692 31.823 0.199 0.000 0.999 72 V HN 0.445 nan 8.190 nan 0.000 0.439 73 F N 3.862 123.875 119.950 0.105 0.000 2.411 73 F HA 0.530 5.058 4.527 0.001 0.000 0.350 73 F C 0.885 176.538 175.800 -0.244 0.000 1.114 73 F CA -0.545 57.442 58.000 -0.022 0.000 1.135 73 F CB 0.950 39.872 39.000 -0.129 0.000 1.120 73 F HN 0.241 nan 8.300 nan 0.000 0.495 74 R N 4.902 125.274 120.500 -0.214 0.000 2.287 74 R HA 0.308 4.649 4.340 0.001 0.000 0.327 74 R C -0.897 174.986 176.300 -0.696 0.000 1.109 74 R CA -0.485 55.118 56.100 -0.827 0.000 1.013 74 R CB 0.196 30.094 30.300 -0.670 0.000 1.126 74 R HN 0.521 nan 8.270 nan 0.000 0.503 75 I N 5.371 125.533 120.570 -0.680 0.000 2.337 75 I HA 0.161 4.331 4.170 0.001 0.000 0.291 75 I C 0.546 176.312 176.117 -0.585 0.000 1.046 75 I CA -0.448 60.546 61.300 -0.509 0.000 1.324 75 I CB 0.508 38.251 38.000 -0.428 0.000 1.409 75 I HN 0.246 nan 8.210 nan 0.000 0.494 76 H N 7.073 126.035 119.070 -0.179 0.000 2.552 76 H HA 0.498 5.055 4.556 0.001 0.000 0.311 76 H C -0.166 175.045 175.328 -0.194 0.000 1.071 76 H CA -0.470 55.484 56.048 -0.155 0.000 1.307 76 H CB 1.756 31.465 29.762 -0.090 0.000 1.416 76 H HN 0.417 nan 8.280 nan 0.000 0.464 77 L N 5.333 126.475 121.223 -0.135 0.000 2.331 77 L HA 0.372 4.713 4.340 0.001 0.000 0.275 77 L C -2.052 174.646 176.870 -0.286 0.000 1.022 77 L CA -2.174 52.462 54.840 -0.340 0.000 0.812 77 L CB 1.798 43.575 42.059 -0.471 0.000 1.257 77 L HN 0.361 nan 8.230 nan 0.000 0.435 78 P HA -0.032 nan 4.420 nan 0.000 0.271 78 P C -0.876 176.371 177.300 -0.089 0.000 1.216 78 P CA -0.235 62.705 63.100 -0.266 0.000 0.771 78 P CB 0.790 32.269 31.700 -0.369 0.000 0.864 79 D N 5.187 125.592 120.400 0.008 0.000 2.412 79 D HA -0.015 4.625 4.640 0.001 0.000 0.257 79 D C -0.965 175.340 176.300 0.008 0.000 1.217 79 D CA -1.831 52.199 54.000 0.050 0.000 0.897 79 D CB 0.562 41.416 40.800 0.090 0.000 1.132 79 D HN 0.238 nan 8.370 nan 0.000 0.493 80 P HA -0.153 nan 4.420 nan 0.000 0.221 80 P C 0.700 178.033 177.300 0.054 0.000 1.145 80 P CA 0.793 63.715 63.100 -0.296 0.000 0.795 80 P CB 0.459 31.603 31.700 -0.926 0.000 0.775 81 N N 0.149 118.866 118.700 0.028 0.000 2.300 81 N HA -0.075 4.666 4.740 0.001 0.000 0.179 81 N C 1.647 177.241 175.510 0.139 0.000 1.016 81 N CA 0.993 54.089 53.050 0.076 0.000 0.876 81 N CB -0.119 38.385 38.487 0.029 0.000 0.979 81 N HN 0.155 nan 8.380 nan 0.000 0.432 82 K N -0.114 120.364 120.400 0.129 0.000 2.323 82 K HA 0.136 4.457 4.320 0.001 0.000 0.197 82 K C 0.244 176.911 176.600 0.111 0.000 1.043 82 K CA -0.280 56.071 56.287 0.106 0.000 0.997 82 K CB -0.117 32.433 32.500 0.082 0.000 0.807 82 K HN -0.050 nan 8.250 nan 0.000 0.497 83 F N 0.403 120.313 119.950 -0.067 0.000 2.628 83 F HA 0.203 4.731 4.527 0.001 0.000 0.346 83 F C 1.036 176.735 175.800 -0.168 0.000 1.188 83 F CA 0.297 58.167 58.000 -0.217 0.000 1.376 83 F CB 0.519 39.235 39.000 -0.473 0.000 1.104 83 F HN 0.051 nan 8.300 nan 0.000 0.616 84 G N 5.069 113.366 108.800 -0.838 0.000 3.102 84 G HA2 0.423 4.384 3.960 0.001 0.000 0.345 84 G HA3 0.423 4.384 3.960 0.001 0.000 0.345 84 G C -1.246 173.400 174.900 -0.423 0.000 1.200 84 G CA -0.406 44.429 45.100 -0.442 0.000 1.163 84 G HN 0.388 nan 8.290 nan 0.000 0.465 85 F N 2.248 122.230 119.950 0.053 0.000 2.389 85 F HA 0.294 4.822 4.527 0.001 0.000 0.337 85 F C -0.042 175.865 175.800 0.179 0.000 1.112 85 F CA -1.894 56.246 58.000 0.233 0.000 1.192 85 F CB 1.339 40.600 39.000 0.435 0.000 1.185 85 F HN 0.287 nan 8.300 nan 0.000 0.552 86 P HA -0.138 nan 4.420 nan 0.000 0.217 86 P C -0.305 177.146 177.300 0.251 0.000 1.150 86 P CA 1.274 64.525 63.100 0.252 0.000 0.832 86 P CB 0.209 32.049 31.700 0.234 0.000 0.787 87 D N -1.057 119.547 120.400 0.340 0.000 2.481 87 D HA 0.316 4.957 4.640 0.001 0.000 0.244 87 D C 0.072 176.580 176.300 0.346 0.000 1.057 87 D CA -0.492 53.678 54.000 0.284 0.000 0.848 87 D CB 1.355 42.316 40.800 0.269 0.000 1.388 87 D HN -0.151 nan 8.370 nan 0.000 0.475 88 T N -0.976 113.652 114.554 0.123 0.000 3.275 88 T HA 0.120 4.471 4.350 0.001 0.000 0.298 88 T C 1.270 175.745 174.700 -0.374 0.000 0.988 88 T CA 0.163 62.168 62.100 -0.158 0.000 0.936 88 T CB -0.194 68.640 68.868 -0.056 0.000 1.159 88 T HN 0.249 nan 8.240 nan 0.000 0.519 89 S N 1.718 117.325 115.700 -0.155 0.000 2.461 89 S HA -0.029 4.442 4.470 0.001 0.000 0.228 89 S C 1.740 176.265 174.600 -0.125 0.000 1.005 89 S CA 0.155 58.277 58.200 -0.130 0.000 0.942 89 S CB -1.155 62.041 63.200 -0.007 0.000 0.776 89 S HN 0.642 nan 8.310 nan 0.000 0.514 90 F N 1.827 121.802 119.950 0.042 0.000 2.529 90 F HA 0.224 4.752 4.527 0.001 0.000 0.297 90 F C 0.544 176.409 175.800 0.108 0.000 1.114 90 F CA -0.636 57.388 58.000 0.039 0.000 1.467 90 F CB -1.307 37.685 39.000 -0.013 0.000 1.096 90 F HN 0.479 nan 8.300 nan 0.000 0.586 91 Y N -1.473 118.501 120.300 -0.544 0.000 2.689 91 Y HA 0.465 5.016 4.550 0.001 0.000 0.333 91 Y C -1.522 174.187 175.900 -0.318 0.000 1.208 91 Y CA -1.860 56.036 58.100 -0.341 0.000 1.055 91 Y CB 0.712 38.988 38.460 -0.306 0.000 1.304 91 Y HN -0.153 nan 8.280 nan 0.000 0.455 92 N N 3.803 122.219 118.700 -0.474 0.000 2.546 92 N HA 0.318 5.059 4.740 0.001 0.000 0.238 92 N C -2.217 172.927 175.510 -0.611 0.000 0.984 92 N CA -2.664 50.070 53.050 -0.526 0.000 0.935 92 N CB 1.591 39.934 38.487 -0.239 0.000 1.122 92 N HN 0.574 nan 8.380 nan 0.000 0.510 93 P HA -0.023 nan 4.420 nan 0.000 0.236 93 P C -0.357 176.808 177.300 -0.225 0.000 1.172 93 P CA 0.784 63.584 63.100 -0.501 0.000 0.759 93 P CB 0.645 32.067 31.700 -0.464 0.000 0.843 94 D N -0.816 119.461 120.400 -0.206 0.000 2.490 94 D HA -0.050 4.590 4.640 0.001 0.000 0.244 94 D C 1.990 178.239 176.300 -0.086 0.000 0.979 94 D CA 1.484 55.411 54.000 -0.121 0.000 0.924 94 D CB -0.697 40.036 40.800 -0.112 0.000 1.075 94 D HN 0.182 nan 8.370 nan 0.000 0.488 95 T N -1.540 112.960 114.554 -0.090 0.000 3.051 95 T HA 0.059 4.409 4.350 0.001 0.000 0.255 95 T C 0.968 175.644 174.700 -0.040 0.000 1.085 95 T CA 0.081 62.150 62.100 -0.052 0.000 1.109 95 T CB 0.052 68.894 68.868 -0.043 0.000 0.921 95 T HN 0.199 nan 8.240 nan 0.000 0.488 96 Q N -0.310 119.462 119.800 -0.045 0.000 2.633 96 Q HA 0.721 5.062 4.340 0.001 0.000 0.292 96 Q C -1.077 174.869 176.000 -0.090 0.000 1.089 96 Q CA -1.366 54.417 55.803 -0.033 0.000 0.811 96 Q CB 1.778 30.543 28.738 0.046 0.000 1.472 96 Q HN -0.072 nan 8.270 nan 0.000 0.464 97 R N -0.164 120.175 120.500 -0.268 0.000 2.855 97 R HA 0.645 4.985 4.340 0.001 0.000 0.266 97 R C -0.944 175.048 176.300 -0.514 0.000 1.034 97 R CA -0.847 54.897 56.100 -0.594 0.000 0.944 97 R CB 1.565 30.938 30.300 -1.546 0.000 1.219 97 R HN 0.651 nan 8.270 nan 0.000 0.474 98 L N 0.979 121.883 121.223 -0.532 0.000 2.346 98 L HA 0.726 5.066 4.340 0.001 0.000 0.274 98 L C -0.548 176.206 176.870 -0.193 0.000 1.007 98 L CA -1.116 53.474 54.840 -0.416 0.000 0.818 98 L CB 2.108 43.837 42.059 -0.550 0.000 1.284 98 L HN 0.175 nan 8.230 nan 0.000 0.424 99 V N -0.264 119.530 119.914 -0.201 0.000 2.971 99 V HA 0.390 4.511 4.120 0.001 0.000 0.309 99 V C -1.203 174.763 176.094 -0.213 0.000 1.130 99 V CA -0.882 61.367 62.300 -0.085 0.000 0.964 99 V CB 2.103 33.938 31.823 0.020 0.000 1.029 99 V HN 0.652 nan 8.190 nan 0.000 0.427 100 W N 1.579 122.826 121.300 -0.089 0.000 2.365 100 W HA 0.708 5.369 4.660 0.001 0.000 0.316 100 W C 0.229 176.721 176.519 -0.046 0.000 1.164 100 W CA -0.357 56.938 57.345 -0.085 0.000 1.204 100 W CB 1.544 30.894 29.460 -0.183 0.000 1.213 100 W HN 0.737 nan 8.180 nan 0.000 0.539 101 A N 3.193 126.216 122.820 0.339 0.000 2.304 101 A HA 0.456 4.777 4.320 0.001 0.000 0.314 101 A C -1.005 176.715 177.584 0.226 0.000 1.187 101 A CA -0.665 51.457 52.037 0.142 0.000 0.810 101 A CB 0.669 19.663 19.000 -0.010 0.000 1.183 101 A HN 0.751 nan 8.150 nan 0.000 0.487 102 C N 3.298 122.683 119.300 0.141 0.000 2.566 102 C HA 0.442 4.903 4.460 0.001 0.000 0.393 102 C C 1.120 176.055 174.990 -0.092 0.000 1.309 102 C CA 0.162 59.158 59.018 -0.036 0.000 1.801 102 C CB -0.948 26.838 27.740 0.078 0.000 2.493 102 C HN 0.686 nan 8.230 nan 0.000 0.575 103 V N 5.278 125.111 119.914 -0.135 0.000 3.612 103 V HA 0.403 4.524 4.120 0.001 0.000 0.268 103 V C 1.142 177.285 176.094 0.082 0.000 1.365 103 V CA 0.733 63.030 62.300 -0.004 0.000 1.044 103 V CB -0.002 31.864 31.823 0.072 0.000 0.820 103 V HN 1.038 nan 8.190 nan 0.000 0.444 104 G N -0.195 108.557 108.800 -0.081 0.000 2.753 104 G HA2 0.606 4.567 3.960 0.001 0.000 0.297 104 G HA3 0.606 4.567 3.960 0.001 0.000 0.297 104 G C -1.874 172.821 174.900 -0.342 0.000 1.430 104 G CA -0.286 44.786 45.100 -0.047 0.000 1.040 104 G HN -0.104 nan 8.290 nan 0.000 0.530 105 V N 1.322 120.945 119.914 -0.485 0.000 2.841 105 V HA 0.668 4.789 4.120 0.001 0.000 0.310 105 V C -0.821 174.794 176.094 -0.798 0.000 1.090 105 V CA -0.834 61.095 62.300 -0.619 0.000 0.930 105 V CB 2.271 33.892 31.823 -0.337 0.000 1.014 105 V HN 0.743 nan 8.190 nan 0.000 0.425 106 E N 2.392 122.122 120.200 -0.784 0.000 2.316 106 E HA 0.369 4.719 4.350 0.001 0.000 0.254 106 E C -1.602 174.684 176.600 -0.523 0.000 0.902 106 E CA -0.315 55.671 56.400 -0.691 0.000 0.801 106 E CB 2.291 31.690 29.700 -0.502 0.000 1.270 106 E HN 0.447 nan 8.360 nan 0.000 0.414 107 V N 3.322 123.008 119.914 -0.380 0.000 2.322 107 V HA 0.286 4.407 4.120 0.001 0.000 0.258 107 V C 0.800 176.836 176.094 -0.097 0.000 1.074 107 V CA -0.420 61.798 62.300 -0.135 0.000 0.909 107 V CB 0.854 32.788 31.823 0.184 0.000 1.090 107 V HN 0.618 nan 8.190 nan 0.000 0.486 108 G N 5.504 114.206 108.800 -0.163 0.000 2.390 108 G HA2 0.518 4.478 3.960 0.001 0.000 0.270 108 G HA3 0.518 4.478 3.960 0.001 0.000 0.270 108 G C -0.205 174.568 174.900 -0.212 0.000 1.211 108 G CA -0.525 44.489 45.100 -0.144 0.000 0.842 108 G HN 0.478 nan 8.290 nan 0.000 0.519 109 R N 0.940 121.314 120.500 -0.211 0.000 2.670 109 R HA 0.544 4.884 4.340 0.001 0.000 0.289 109 R C 0.546 176.727 176.300 -0.199 0.000 0.965 109 R CA -0.584 55.314 56.100 -0.336 0.000 0.899 109 R CB 2.120 32.215 30.300 -0.343 0.000 1.173 109 R HN 0.613 nan 8.270 nan 0.000 0.456 110 G N 0.586 109.265 108.800 -0.202 0.000 3.342 110 G HA2 0.014 3.974 3.960 0.001 0.000 0.252 110 G HA3 0.014 3.974 3.960 0.001 0.000 0.252 110 G C 0.107 174.953 174.900 -0.090 0.000 1.011 110 G CA -0.002 45.028 45.100 -0.116 0.000 0.869 110 G HN 0.214 nan 8.290 nan 0.000 0.514 111 Q N 0.692 120.430 119.800 -0.103 0.000 2.185 111 Q HA 0.360 4.701 4.340 0.001 0.000 0.225 111 Q C -2.333 173.634 176.000 -0.056 0.000 0.983 111 Q CA -1.630 54.126 55.803 -0.079 0.000 0.950 111 Q CB 1.349 30.028 28.738 -0.099 0.000 1.176 111 Q HN 0.130 nan 8.270 nan 0.000 0.510 112 P HA 0.155 nan 4.420 nan 0.000 0.277 112 P C -0.497 176.795 177.300 -0.013 0.000 1.240 112 P CA -0.517 62.568 63.100 -0.024 0.000 0.798 112 P CB 0.619 32.306 31.700 -0.022 0.000 0.979 113 L N 1.582 122.807 121.223 0.003 0.000 2.485 113 L HA 0.469 4.809 4.340 0.001 0.000 0.275 113 L C 1.283 178.167 176.870 0.023 0.000 1.207 113 L CA 1.573 56.426 54.840 0.021 0.000 0.855 113 L CB -0.527 41.551 42.059 0.031 0.000 1.114 113 L HN 0.784 nan 8.230 nan 0.000 0.485 114 G N 1.700 110.523 108.800 0.038 0.000 2.489 114 G HA2 0.522 4.483 3.960 0.001 0.000 0.291 114 G HA3 0.522 4.483 3.960 0.001 0.000 0.291 114 G C -2.115 172.821 174.900 0.059 0.000 1.487 114 G CA -0.646 44.478 45.100 0.040 0.000 0.795 114 G HN 0.358 nan 8.290 nan 0.000 0.513 115 V N 0.633 120.581 119.914 0.056 0.000 2.513 115 V HA 0.778 4.899 4.120 0.001 0.000 0.299 115 V C 1.224 177.354 176.094 0.060 0.000 1.035 115 V CA 0.299 62.638 62.300 0.065 0.000 0.889 115 V CB 1.163 33.022 31.823 0.058 0.000 0.988 115 V HN 1.219 nan 8.190 nan 0.000 0.440 116 G N 2.936 111.777 108.800 0.069 0.000 2.580 116 G HA2 0.652 4.613 3.960 0.001 0.000 0.225 116 G HA3 0.652 4.613 3.960 0.001 0.000 0.225 116 G C -0.487 174.423 174.900 0.018 0.000 1.521 116 G CA -0.216 44.917 45.100 0.056 0.000 1.068 116 G HN 0.812 nan 8.290 nan 0.000 0.564 117 I N -1.842 118.725 120.570 -0.005 0.000 2.660 117 I HA 0.319 4.489 4.170 0.001 0.000 0.290 117 I C -1.561 174.531 176.117 -0.042 0.000 1.735 117 I CA -0.354 60.911 61.300 -0.058 0.000 1.042 117 I CB 1.215 39.217 38.000 0.002 0.000 1.565 117 I HN 0.496 nan 8.210 nan 0.000 0.479 118 S N 4.280 119.806 115.700 -0.289 0.000 2.541 118 S HA 0.964 5.435 4.470 0.001 0.000 0.280 118 S C -0.228 174.158 174.600 -0.357 0.000 1.112 118 S CA -0.183 57.767 58.200 -0.418 0.000 0.925 118 S CB 1.977 64.784 63.200 -0.656 0.000 1.067 118 S HN 0.975 nan 8.310 nan 0.000 0.479 119 G N 0.715 109.287 108.800 -0.380 0.000 3.021 119 G HA2 0.669 4.629 3.960 0.001 0.000 0.290 119 G HA3 0.669 4.629 3.960 0.001 0.000 0.290 119 G C -1.925 172.898 174.900 -0.128 0.000 1.291 119 G CA -0.341 44.665 45.100 -0.157 0.000 0.834 119 G HN 0.631 nan 8.290 nan 0.000 0.564 120 H N -0.497 118.513 119.070 -0.100 0.000 3.042 120 H HA 0.379 4.936 4.556 0.001 0.000 0.345 120 H C -2.283 173.024 175.328 -0.035 0.000 1.052 120 H CA -1.453 54.549 56.048 -0.076 0.000 1.311 120 H CB 2.803 32.515 29.762 -0.084 0.000 1.810 120 H HN 0.117 nan 8.280 nan 0.000 0.505 121 P HA 0.026 nan 4.420 nan 0.000 0.222 121 P C 0.273 177.660 177.300 0.146 0.000 1.147 121 P CA 0.983 64.198 63.100 0.191 0.000 0.790 121 P CB 0.462 32.243 31.700 0.134 0.000 0.780 122 L N -1.237 120.089 121.223 0.172 0.000 2.783 122 L HA 0.284 4.624 4.340 0.001 0.000 0.265 122 L C -0.246 176.345 176.870 -0.465 0.000 1.398 122 L CA -0.781 53.977 54.840 -0.136 0.000 0.802 122 L CB 0.593 42.600 42.059 -0.086 0.000 1.126 122 L HN -0.099 nan 8.230 nan 0.000 0.529 123 L N 1.053 122.092 121.223 -0.308 0.000 2.416 123 L HA 0.218 4.558 4.340 0.001 0.000 0.272 123 L C 0.825 177.584 176.870 -0.184 0.000 1.161 123 L CA 0.296 54.965 54.840 -0.285 0.000 0.845 123 L CB 0.570 42.598 42.059 -0.052 0.000 1.119 123 L HN 0.218 nan 8.230 nan 0.000 0.464 124 N N 4.845 123.421 118.700 -0.207 0.000 2.605 124 N HA 0.031 4.771 4.740 0.001 0.000 0.282 124 N C -1.016 174.487 175.510 -0.012 0.000 1.206 124 N CA 0.292 53.260 53.050 -0.137 0.000 1.074 124 N CB -0.268 38.116 38.487 -0.172 0.000 1.434 124 N HN 0.434 nan 8.380 nan 0.000 0.506 125 K N 4.543 124.957 120.400 0.023 0.000 2.559 125 K HA 0.114 4.435 4.320 0.001 0.000 0.249 125 K C 0.059 176.620 176.600 -0.065 0.000 0.958 125 K CA -0.573 55.762 56.287 0.080 0.000 0.901 125 K CB 0.931 33.379 32.500 -0.087 0.000 1.124 125 K HN 0.277 nan 8.250 nan 0.000 0.437 126 L N 3.893 125.111 121.223 -0.009 0.000 1.868 126 L HA 0.053 4.394 4.340 0.001 0.000 0.222 126 L C -0.097 176.706 176.870 -0.111 0.000 1.108 126 L CA 1.800 56.608 54.840 -0.054 0.000 0.822 126 L CB -0.203 41.841 42.059 -0.025 0.000 0.891 126 L HN 0.777 nan 8.230 nan 0.000 0.441 127 D N -1.805 118.544 120.400 -0.085 0.000 2.414 127 D HA 0.247 4.888 4.640 0.001 0.000 0.241 127 D C -1.187 175.084 176.300 -0.048 0.000 1.008 127 D CA -0.692 53.250 54.000 -0.098 0.000 1.001 127 D CB 0.377 41.132 40.800 -0.075 0.000 1.277 127 D HN 0.101 nan 8.370 nan 0.000 0.538 128 D N -0.114 120.277 120.400 -0.014 0.000 2.338 128 D HA 0.082 4.723 4.640 0.001 0.000 0.255 128 D C 0.552 176.933 176.300 0.135 0.000 1.237 128 D CA -0.024 54.071 54.000 0.158 0.000 0.883 128 D CB 0.805 41.681 40.800 0.126 0.000 1.087 128 D HN 0.475 nan 8.370 nan 0.000 0.485 129 T N 0.115 114.777 114.554 0.179 0.000 3.105 129 T HA 0.053 4.404 4.350 0.001 0.000 0.253 129 T C 1.205 175.928 174.700 0.039 0.000 1.047 129 T CA -0.189 61.980 62.100 0.115 0.000 0.944 129 T CB 0.160 69.160 68.868 0.220 0.000 1.016 129 T HN 0.464 nan 8.240 nan 0.000 0.544 130 E N 1.542 121.771 120.200 0.048 0.000 2.208 130 E HA -0.047 4.303 4.350 0.001 0.000 0.193 130 E C 0.137 176.742 176.600 0.008 0.000 0.988 130 E CA 0.345 56.747 56.400 0.003 0.000 0.828 130 E CB 0.224 29.941 29.700 0.028 0.000 0.763 130 E HN 0.479 nan 8.360 nan 0.000 0.478 131 N N -0.620 118.098 118.700 0.030 0.000 2.999 131 N HA 0.224 4.964 4.740 0.001 0.000 0.244 131 N C -2.121 173.407 175.510 0.030 0.000 1.106 131 N CA -0.003 53.062 53.050 0.025 0.000 1.018 131 N CB 1.477 39.979 38.487 0.025 0.000 1.600 131 N HN 0.095 nan 8.380 nan 0.000 0.621 132 A N 1.753 124.589 122.820 0.026 0.000 2.393 132 A HA 0.592 4.913 4.320 0.001 0.000 0.306 132 A C 0.763 178.367 177.584 0.033 0.000 1.050 132 A CA -0.105 51.946 52.037 0.023 0.000 0.724 132 A CB 0.939 19.942 19.000 0.005 0.000 1.248 132 A HN 0.749 nan 8.150 nan 0.000 0.424 133 S N 0.717 116.436 115.700 0.032 0.000 2.501 133 S HA 0.509 4.980 4.470 0.001 0.000 0.220 133 S C 0.725 175.356 174.600 0.051 0.000 0.997 133 S CA 0.663 58.886 58.200 0.037 0.000 0.919 133 S CB -0.020 63.197 63.200 0.029 0.000 0.778 133 S HN 2.010 nan 8.310 nan 0.000 0.523 134 A N 0.049 122.905 122.820 0.059 0.000 2.606 134 A HA 0.617 4.937 4.320 0.001 0.000 0.293 134 A C -1.484 176.173 177.584 0.121 0.000 1.082 134 A CA -0.818 51.274 52.037 0.091 0.000 0.685 134 A CB 0.309 19.351 19.000 0.069 0.000 1.284 134 A HN 0.187 nan 8.150 nan 0.000 0.408 135 Y N 1.567 121.877 120.300 0.016 0.000 2.620 135 Y HA 0.346 4.897 4.550 0.001 0.000 0.330 135 Y C 1.113 177.021 175.900 0.013 0.000 1.186 135 Y CA 1.049 59.159 58.100 0.016 0.000 1.467 135 Y CB 0.493 38.962 38.460 0.014 0.000 1.262 135 Y HN 0.978 nan 8.280 nan 0.000 0.550 136 A N 4.761 127.449 122.820 -0.220 0.000 2.492 136 A HA 0.426 4.747 4.320 0.001 0.000 0.236 136 A C 0.942 178.507 177.584 -0.031 0.000 1.078 136 A CA 0.028 51.989 52.037 -0.127 0.000 0.773 136 A CB -0.395 18.490 19.000 -0.192 0.000 1.023 136 A HN 1.111 nan 8.150 nan 0.000 0.504 137 A N 1.499 124.312 122.820 -0.012 0.000 3.335 137 A HA 0.148 4.468 4.320 0.001 0.000 0.166 137 A C 0.710 178.307 177.584 0.023 0.000 0.723 137 A CA 1.464 53.510 52.037 0.016 0.000 1.243 137 A CB -0.428 18.572 19.000 0.001 0.000 0.875 137 A HN 0.947 nan 8.150 nan 0.000 0.508 138 N N -2.472 116.234 118.700 0.009 0.000 2.369 138 N HA 0.490 5.231 4.740 0.001 0.000 0.287 138 N C -1.032 174.474 175.510 -0.006 0.000 1.067 138 N CA -0.163 52.893 53.050 0.010 0.000 0.888 138 N CB 1.800 40.300 38.487 0.022 0.000 1.616 138 N HN 0.803 nan 8.380 nan 0.000 0.482 139 A N 1.513 124.326 122.820 -0.012 0.000 2.545 139 A HA 0.375 4.695 4.320 0.001 0.000 0.253 139 A C 0.939 178.514 177.584 -0.014 0.000 1.074 139 A CA 0.597 52.622 52.037 -0.019 0.000 0.760 139 A CB -0.172 18.814 19.000 -0.023 0.000 1.005 139 A HN 0.764 nan 8.150 nan 0.000 0.506 140 G N 0.941 109.730 108.800 -0.017 0.000 3.411 140 G HA2 0.461 4.421 3.960 0.001 0.000 0.186 140 G HA3 0.461 4.421 3.960 0.001 0.000 0.186 140 G C -0.289 174.601 174.900 -0.017 0.000 1.766 140 G CA 0.218 45.310 45.100 -0.014 0.000 0.971 140 G HN 0.960 nan 8.290 nan 0.000 0.590 141 V N 1.050 120.953 119.914 -0.018 0.000 2.409 141 V HA 0.428 4.549 4.120 0.001 0.000 0.291 141 V C -0.645 175.434 176.094 -0.025 0.000 1.020 141 V CA -0.484 61.804 62.300 -0.020 0.000 0.848 141 V CB 1.227 33.040 31.823 -0.017 0.000 0.990 141 V HN 0.729 nan 8.190 nan 0.000 0.430 142 D N 3.831 124.212 120.400 -0.031 0.000 3.908 142 D HA -0.181 4.460 4.640 0.001 0.000 0.237 142 D C 0.320 176.596 176.300 -0.040 0.000 1.091 142 D CA 0.663 54.641 54.000 -0.038 0.000 1.147 142 D CB -0.386 40.394 40.800 -0.034 0.000 0.857 142 D HN 0.869 nan 8.370 nan 0.000 0.410 143 N N 1.602 120.274 118.700 -0.047 0.000 2.238 143 N HA 0.098 4.839 4.740 0.001 0.000 0.222 143 N C 0.118 175.589 175.510 -0.065 0.000 1.133 143 N CA -0.390 52.629 53.050 -0.051 0.000 0.854 143 N CB 0.459 38.916 38.487 -0.051 0.000 1.041 143 N HN 0.251 nan 8.380 nan 0.000 0.510 144 R N 1.249 121.707 120.500 -0.070 0.000 2.698 144 R HA 0.076 4.416 4.340 0.001 0.000 0.266 144 R C 0.011 176.265 176.300 -0.076 0.000 1.026 144 R CA 0.460 56.508 56.100 -0.087 0.000 1.102 144 R CB 0.406 30.640 30.300 -0.110 0.000 0.978 144 R HN 0.181 nan 8.270 nan 0.000 0.436 145 E N 0.915 121.065 120.200 -0.082 0.000 2.312 145 E HA 0.123 4.474 4.350 0.001 0.000 0.267 145 E C -0.952 175.627 176.600 -0.035 0.000 0.894 145 E CA -0.825 55.535 56.400 -0.067 0.000 0.773 145 E CB 2.220 31.857 29.700 -0.105 0.000 1.241 145 E HN 0.530 nan 8.360 nan 0.000 0.432 146 C N 3.694 122.988 119.300 -0.010 0.000 2.416 146 C HA 0.489 4.950 4.460 0.001 0.000 0.355 146 C C -0.105 174.901 174.990 0.026 0.000 1.211 146 C CA -0.179 58.854 59.018 0.026 0.000 1.699 146 C CB -2.130 25.628 27.740 0.031 0.000 2.310 146 C HN 0.429 nan 8.230 nan 0.000 0.539 147 I N 6.408 127.007 120.570 0.049 0.000 2.582 147 I HA 0.423 4.594 4.170 0.001 0.000 0.292 147 I C 0.157 176.324 176.117 0.084 0.000 1.066 147 I CA -0.021 61.321 61.300 0.070 0.000 1.053 147 I CB 2.450 40.508 38.000 0.096 0.000 1.241 147 I HN 0.703 nan 8.210 nan 0.000 0.421 148 S N 6.564 122.309 115.700 0.074 0.000 2.726 148 S HA 0.950 5.420 4.470 0.001 0.000 0.308 148 S C -0.567 174.072 174.600 0.064 0.000 1.115 148 S CA -0.744 57.478 58.200 0.037 0.000 0.965 148 S CB 2.510 65.717 63.200 0.012 0.000 1.145 148 S HN 0.708 nan 8.310 nan 0.000 0.532 149 M N -0.269 119.327 119.600 -0.007 0.000 2.732 149 M HA 0.469 4.949 4.480 0.001 0.000 0.272 149 M C -2.451 173.791 176.300 -0.098 0.000 1.203 149 M CA -0.786 54.521 55.300 0.012 0.000 0.841 149 M CB 2.005 34.678 32.600 0.121 0.000 1.685 149 M HN 0.698 nan 8.290 nan 0.000 0.492 150 D N 1.790 122.162 120.400 -0.046 0.000 2.373 150 D HA 0.335 4.976 4.640 0.001 0.000 0.227 150 D C -0.851 175.479 176.300 0.051 0.000 1.091 150 D CA -0.217 53.756 54.000 -0.045 0.000 0.840 150 D CB 0.728 41.521 40.800 -0.011 0.000 1.060 150 D HN 0.672 nan 8.370 nan 0.000 0.502 151 Y N 1.031 121.348 120.300 0.029 0.000 2.469 151 Y HA -0.115 4.436 4.550 0.001 0.000 0.353 151 Y C 1.677 177.575 175.900 -0.004 0.000 1.269 151 Y CA -0.648 57.470 58.100 0.029 0.000 1.504 151 Y CB 0.843 39.340 38.460 0.060 0.000 1.369 151 Y HN 0.352 nan 8.280 nan 0.000 0.654 152 K N 2.155 122.651 120.400 0.159 0.000 2.326 152 K HA 0.041 4.362 4.320 0.001 0.000 0.275 152 K C -0.583 176.074 176.600 0.095 0.000 1.018 152 K CA -0.534 55.793 56.287 0.066 0.000 0.962 152 K CB 0.747 33.256 32.500 0.015 0.000 0.953 152 K HN 0.620 nan 8.250 nan 0.000 0.475 153 Q N 2.117 121.969 119.800 0.087 0.000 2.332 153 Q HA 0.108 4.448 4.340 0.001 0.000 0.263 153 Q C -1.148 174.911 176.000 0.098 0.000 0.979 153 Q CA 0.185 56.048 55.803 0.099 0.000 0.885 153 Q CB 0.989 29.785 28.738 0.096 0.000 1.218 153 Q HN 0.739 nan 8.270 nan 0.000 0.405 154 T N 4.438 119.057 114.554 0.108 0.000 3.032 154 T HA 0.322 4.673 4.350 0.001 0.000 0.312 154 T C -1.382 173.405 174.700 0.145 0.000 1.078 154 T CA -0.665 61.503 62.100 0.113 0.000 1.028 154 T CB 1.493 70.416 68.868 0.092 0.000 1.091 154 T HN 0.582 nan 8.240 nan 0.000 0.457 155 Q N 2.444 122.338 119.800 0.156 0.000 2.304 155 Q HA 0.736 5.077 4.340 0.001 0.000 0.270 155 Q C -1.364 174.750 176.000 0.191 0.000 1.035 155 Q CA -1.014 54.928 55.803 0.231 0.000 0.781 155 Q CB 2.451 31.265 28.738 0.126 0.000 1.261 155 Q HN 0.622 nan 8.270 nan 0.000 0.444 156 L N -0.799 120.603 121.223 0.297 0.000 2.582 156 L HA 0.864 5.205 4.340 0.001 0.000 0.257 156 L C -1.658 175.406 176.870 0.323 0.000 0.974 156 L CA -0.755 54.223 54.840 0.230 0.000 0.851 156 L CB 1.968 44.150 42.059 0.204 0.000 1.424 156 L HN 0.662 nan 8.230 nan 0.000 0.412 157 C N 2.988 122.431 119.300 0.238 0.000 2.607 157 C HA 0.824 5.284 4.460 0.001 0.000 0.350 157 C C -1.178 173.920 174.990 0.181 0.000 1.101 157 C CA -0.449 58.741 59.018 0.287 0.000 1.282 157 C CB 0.426 28.387 27.740 0.367 0.000 1.825 157 C HN 0.889 nan 8.230 nan 0.000 0.460 158 L N 7.153 128.496 121.223 0.200 0.000 2.341 158 L HA 0.745 5.086 4.340 0.001 0.000 0.278 158 L C -0.457 176.519 176.870 0.177 0.000 1.005 158 L CA -0.605 54.316 54.840 0.136 0.000 0.818 158 L CB 1.483 43.563 42.059 0.034 0.000 1.259 158 L HN 0.460 nan 8.230 nan 0.000 0.418 159 I N 1.876 122.550 120.570 0.172 0.000 2.498 159 I HA 0.839 5.009 4.170 0.001 0.000 0.290 159 I C 0.258 176.170 176.117 -0.342 0.000 1.032 159 I CA -0.219 61.158 61.300 0.128 0.000 1.073 159 I CB 1.655 39.890 38.000 0.391 0.000 1.251 159 I HN 0.772 nan 8.210 nan 0.000 0.426 160 G N 3.078 111.568 108.800 -0.517 0.000 2.488 160 G HA2 0.353 4.313 3.960 0.001 0.000 0.301 160 G HA3 0.353 4.313 3.960 0.001 0.000 0.301 160 G C -0.251 174.441 174.900 -0.346 0.000 1.339 160 G CA -0.176 44.283 45.100 -1.069 0.000 0.803 160 G HN 0.707 nan 8.290 nan 0.000 0.482 161 C N -1.067 118.188 119.300 -0.075 0.000 2.855 161 C HA 0.646 5.107 4.460 0.001 0.000 0.279 161 C C 0.187 175.343 174.990 0.278 0.000 1.270 161 C CA -0.900 58.267 59.018 0.248 0.000 1.702 161 C CB -1.275 26.691 27.740 0.376 0.000 1.949 161 C HN 0.341 nan 8.230 nan 0.000 0.618 162 K N 1.927 122.369 120.400 0.070 0.000 2.385 162 K HA 0.589 4.909 4.320 0.001 0.000 0.248 162 K C -2.951 173.196 176.600 -0.755 0.000 0.955 162 K CA -1.828 54.348 56.287 -0.184 0.000 0.816 162 K CB 1.893 34.322 32.500 -0.118 0.000 1.250 162 K HN -0.029 nan 8.250 nan 0.000 0.434 163 P HA 0.100 nan 4.420 nan 0.000 0.269 163 P C -2.440 174.460 177.300 -0.666 0.000 1.215 163 P CA -0.947 61.270 63.100 -1.473 0.000 0.780 163 P CB -0.335 30.719 31.700 -1.077 0.000 0.898 164 P HA 0.274 nan 4.420 nan 0.000 0.275 164 P C -0.460 176.636 177.300 -0.340 0.000 1.228 164 P CA 0.123 63.016 63.100 -0.344 0.000 0.786 164 P CB 0.701 32.237 31.700 -0.273 0.000 0.927 165 I N 1.297 121.678 120.570 -0.316 0.000 2.406 165 I HA 0.492 4.663 4.170 0.001 0.000 0.290 165 I C 0.954 176.893 176.117 -0.296 0.000 0.999 165 I CA -0.348 60.783 61.300 -0.282 0.000 1.124 165 I CB 1.967 39.831 38.000 -0.227 0.000 1.289 165 I HN 0.385 nan 8.210 nan 0.000 0.441 166 G N 4.255 112.901 108.800 -0.256 0.000 2.597 166 G HA2 0.764 4.725 3.960 0.001 0.000 0.317 166 G HA3 0.764 4.725 3.960 0.001 0.000 0.317 166 G C -1.264 173.568 174.900 -0.112 0.000 1.230 166 G CA -0.423 44.546 45.100 -0.217 0.000 0.996 166 G HN 0.664 nan 8.290 nan 0.000 0.490 167 E N -0.892 119.277 120.200 -0.052 0.000 2.317 167 E HA 0.642 4.993 4.350 0.001 0.000 0.270 167 E C -1.280 175.331 176.600 0.017 0.000 0.885 167 E CA -1.019 55.336 56.400 -0.076 0.000 0.760 167 E CB 2.369 31.982 29.700 -0.145 0.000 1.227 167 E HN 0.774 nan 8.360 nan 0.000 0.434 168 H N 0.161 119.096 119.070 -0.226 0.000 3.037 168 H HA 0.262 4.819 4.556 0.001 0.000 0.336 168 H C -1.920 173.236 175.328 -0.286 0.000 1.323 168 H CA -1.197 54.745 56.048 -0.177 0.000 1.159 168 H CB 0.243 29.979 29.762 -0.044 0.000 1.882 168 H HN 0.649 nan 8.280 nan 0.000 0.535 169 W N 1.158 122.406 121.300 -0.087 0.000 2.351 169 W HA 0.607 5.268 4.660 0.001 0.000 0.311 169 W C 0.574 177.027 176.519 -0.109 0.000 1.168 169 W CA 0.151 57.404 57.345 -0.154 0.000 1.200 169 W CB 1.851 31.254 29.460 -0.095 0.000 1.221 169 W HN 0.886 nan 8.180 nan 0.000 0.519 170 G N 1.566 110.401 108.800 0.058 0.000 3.015 170 G HA2 0.391 4.352 3.960 0.001 0.000 0.281 170 G HA3 0.391 4.352 3.960 0.001 0.000 0.281 170 G C -1.519 173.421 174.900 0.067 0.000 1.386 170 G CA -1.111 44.032 45.100 0.072 0.000 0.959 170 G HN 0.255 nan 8.290 nan 0.000 0.522 171 K N 0.706 121.136 120.400 0.049 0.000 2.292 171 K HA 0.363 4.684 4.320 0.001 0.000 0.290 171 K C 0.754 177.371 176.600 0.028 0.000 1.083 171 K CA -0.217 56.090 56.287 0.035 0.000 0.918 171 K CB -0.002 32.512 32.500 0.024 0.000 1.089 171 K HN 0.545 nan 8.250 nan 0.000 0.473 172 G N 2.019 110.839 108.800 0.034 0.000 2.636 172 G HA2 -0.014 3.947 3.960 0.001 0.000 0.246 172 G HA3 -0.014 3.947 3.960 0.001 0.000 0.246 172 G C -0.296 174.613 174.900 0.016 0.000 1.216 172 G CA -0.569 44.545 45.100 0.025 0.000 0.854 172 G HN 0.699 nan 8.290 nan 0.000 0.572 173 S N 1.408 117.114 115.700 0.010 0.000 2.548 173 S HA 0.476 4.947 4.470 0.001 0.000 0.277 173 S C -1.700 172.904 174.600 0.008 0.000 1.315 173 S CA -0.989 57.215 58.200 0.007 0.000 1.050 173 S CB 1.337 64.539 63.200 0.004 0.000 0.918 173 S HN 0.628 nan 8.310 nan 0.000 0.497 174 P HA 0.286 nan 4.420 nan 0.000 0.277 174 P C -0.583 176.720 177.300 0.004 0.000 1.240 174 P CA -0.652 62.451 63.100 0.005 0.000 0.798 174 P CB 0.534 32.236 31.700 0.003 0.000 0.979 175 C N 1.503 120.806 119.300 0.004 0.000 2.632 175 C HA 0.117 4.577 4.460 0.001 0.000 0.415 175 C C 1.168 176.159 174.990 0.002 0.000 1.332 175 C CA 0.242 59.262 59.018 0.003 0.000 1.874 175 C CB -0.732 27.011 27.740 0.004 0.000 2.596 175 C HN 0.550 nan 8.230 nan 0.000 0.590 176 T N 5.576 120.131 114.554 0.002 0.000 3.416 176 T HA 0.148 4.498 4.350 0.001 0.000 0.247 176 T C 0.284 174.984 174.700 0.001 0.000 0.973 176 T CA 0.611 62.711 62.100 0.001 0.000 1.166 176 T CB -0.249 68.619 68.868 0.001 0.000 1.040 176 T HN 0.809 nan 8.240 nan 0.000 0.746 177 Q N 0.348 120.148 119.800 0.001 0.000 2.170 177 Q HA 0.255 4.596 4.340 0.001 0.000 0.349 177 Q C -0.315 175.685 176.000 0.000 0.000 0.646 177 Q CA -0.830 54.973 55.803 0.001 0.000 0.737 177 Q CB 0.584 29.322 28.738 0.001 0.000 2.057 177 Q HN 0.301 nan 8.270 nan 0.000 0.201 178 V N 2.899 122.813 119.914 0.000 0.000 2.484 178 V HA 0.097 4.218 4.120 0.001 0.000 0.276 178 V C 0.137 176.230 176.094 -0.000 0.000 0.976 178 V CA 0.240 62.540 62.300 -0.000 0.000 1.141 178 V CB -0.842 30.981 31.823 -0.000 0.000 0.975 178 V HN 0.518 nan 8.190 nan 0.000 0.466 179 A N 5.929 128.749 122.820 -0.001 0.000 2.553 179 A HA 0.276 4.596 4.320 0.001 0.000 0.258 179 A C 0.465 178.049 177.584 -0.001 0.000 1.069 179 A CA -0.226 51.810 52.037 -0.001 0.000 0.767 179 A CB -0.313 18.686 19.000 -0.001 0.000 0.997 179 A HN 0.894 nan 8.150 nan 0.000 0.512 180 V N 5.313 125.226 119.914 -0.001 0.000 2.539 180 V HA -0.093 4.027 4.120 0.001 0.000 0.294 180 V C 0.755 176.848 176.094 -0.002 0.000 0.994 180 V CA 0.410 62.709 62.300 -0.002 0.000 1.169 180 V CB -0.702 31.120 31.823 -0.002 0.000 0.898 180 V HN 0.867 nan 8.190 nan 0.000 0.471 181 Q N 6.049 125.847 119.800 -0.003 0.000 2.327 181 Q HA 0.274 4.614 4.340 0.001 0.000 0.254 181 Q C -2.197 173.801 176.000 -0.004 0.000 0.952 181 Q CA -1.965 53.837 55.803 -0.003 0.000 0.884 181 Q CB 0.570 29.306 28.738 -0.003 0.000 1.224 181 Q HN 0.472 nan 8.270 nan 0.000 0.422 182 P HA -0.024 nan 4.420 nan 0.000 0.264 182 P C 0.635 177.932 177.300 -0.006 0.000 1.183 182 P CA 1.070 64.167 63.100 -0.005 0.000 0.763 182 P CB 0.384 32.081 31.700 -0.005 0.000 0.807 183 G N 1.729 110.525 108.800 -0.007 0.000 2.225 183 G HA2 -0.223 3.737 3.960 0.001 0.000 0.254 183 G HA3 -0.223 3.737 3.960 0.001 0.000 0.254 183 G C 0.102 174.997 174.900 -0.009 0.000 0.988 183 G CA -0.150 44.945 45.100 -0.009 0.000 0.625 183 G HN 0.509 nan 8.290 nan 0.000 0.527 184 D N 0.088 120.484 120.400 -0.008 0.000 2.449 184 D HA 0.321 4.962 4.640 0.001 0.000 0.236 184 D C 1.119 177.413 176.300 -0.010 0.000 1.149 184 D CA 0.068 54.063 54.000 -0.008 0.000 0.878 184 D CB 0.816 41.613 40.800 -0.006 0.000 1.198 184 D HN 0.419 nan 8.370 nan 0.000 0.446 185 C N 4.881 124.173 119.300 -0.013 0.000 2.633 185 C HA 0.232 4.692 4.460 0.001 0.000 0.415 185 C C -1.802 173.179 174.990 -0.015 0.000 1.393 185 C CA -1.292 57.716 59.018 -0.017 0.000 1.700 185 C CB -0.640 27.087 27.740 -0.022 0.000 2.541 185 C HN 0.437 nan 8.230 nan 0.000 0.603 186 P HA 0.313 nan 4.420 nan 0.000 0.275 186 P C -2.608 174.686 177.300 -0.009 0.000 1.228 186 P CA -0.916 62.179 63.100 -0.008 0.000 0.786 186 P CB 0.437 32.133 31.700 -0.005 0.000 0.927 187 P HA 0.177 nan 4.420 nan 0.000 0.275 187 P C -0.499 176.816 177.300 0.024 0.000 1.228 187 P CA -0.197 62.906 63.100 0.006 0.000 0.786 187 P CB 0.636 32.343 31.700 0.012 0.000 0.927 188 L N 1.845 123.089 121.223 0.036 0.000 2.375 188 L HA 0.531 4.872 4.340 0.001 0.000 0.268 188 L C 0.674 177.667 176.870 0.204 0.000 1.058 188 L CA -0.064 54.846 54.840 0.116 0.000 0.803 188 L CB 0.255 42.339 42.059 0.041 0.000 1.212 188 L HN 0.602 nan 8.230 nan 0.000 0.451 189 E N 1.541 121.916 120.200 0.291 0.000 2.406 189 E HA 0.159 4.510 4.350 0.001 0.000 0.297 189 E C -1.818 174.752 176.600 -0.049 0.000 0.917 189 E CA -0.716 55.773 56.400 0.148 0.000 0.795 189 E CB 2.208 31.927 29.700 0.032 0.000 1.285 189 E HN 0.366 nan 8.360 nan 0.000 0.400 190 L N 5.861 126.887 121.223 -0.330 0.000 2.418 190 L HA 0.355 4.695 4.340 0.001 0.000 0.274 190 L C -0.750 175.836 176.870 -0.475 0.000 1.135 190 L CA 0.455 54.832 54.840 -0.771 0.000 0.870 190 L CB 0.227 41.717 42.059 -0.948 0.000 1.154 190 L HN 0.458 nan 8.230 nan 0.000 0.462 191 I N 5.427 125.654 120.570 -0.572 0.000 2.355 191 I HA 0.304 4.475 4.170 0.001 0.000 0.288 191 I C -0.081 175.855 176.117 -0.303 0.000 0.999 191 I CA -0.627 60.419 61.300 -0.423 0.000 1.163 191 I CB 1.063 38.771 38.000 -0.486 0.000 1.316 191 I HN 0.527 nan 8.210 nan 0.000 0.454 192 N N 3.927 122.522 118.700 -0.174 0.000 2.514 192 N HA 0.325 5.066 4.740 0.001 0.000 0.277 192 N C -0.285 175.196 175.510 -0.049 0.000 1.126 192 N CA 0.239 53.221 53.050 -0.114 0.000 0.978 192 N CB 1.756 40.176 38.487 -0.112 0.000 1.106 192 N HN 0.648 nan 8.380 nan 0.000 0.461 193 T N -0.520 114.011 114.554 -0.037 0.000 2.812 193 T HA 0.448 4.799 4.350 0.001 0.000 0.294 193 T C -1.090 173.539 174.700 -0.118 0.000 1.159 193 T CA -0.594 61.492 62.100 -0.023 0.000 1.008 193 T CB 0.839 69.732 68.868 0.042 0.000 1.289 193 T HN -0.001 nan 8.240 nan 0.000 0.514 194 V N 3.121 122.948 119.914 -0.145 0.000 2.432 194 V HA 0.430 4.551 4.120 0.001 0.000 0.275 194 V C 0.355 176.300 176.094 -0.248 0.000 1.043 194 V CA -0.674 61.449 62.300 -0.295 0.000 0.925 194 V CB 1.024 32.466 31.823 -0.635 0.000 0.985 194 V HN 0.714 nan 8.190 nan 0.000 0.466 195 I N 5.647 126.042 120.570 -0.292 0.000 2.421 195 I HA 0.179 4.349 4.170 0.001 0.000 0.291 195 I C 0.567 176.569 176.117 -0.191 0.000 1.089 195 I CA 0.205 61.304 61.300 -0.335 0.000 1.354 195 I CB 0.225 37.900 38.000 -0.542 0.000 1.413 195 I HN 0.656 nan 8.210 nan 0.000 0.513 196 Q N 4.045 123.762 119.800 -0.139 0.000 2.221 196 Q HA 0.207 4.547 4.340 0.001 0.000 0.242 196 Q C -0.522 175.479 176.000 0.002 0.000 0.940 196 Q CA -0.866 54.899 55.803 -0.064 0.000 0.896 196 Q CB 1.522 30.195 28.738 -0.109 0.000 1.226 196 Q HN 0.473 nan 8.270 nan 0.000 0.463 197 D N -0.585 119.852 120.400 0.061 0.000 2.434 197 D HA 0.220 4.860 4.640 0.001 0.000 0.252 197 D C 0.738 177.071 176.300 0.055 0.000 1.185 197 D CA 1.769 55.817 54.000 0.081 0.000 0.886 197 D CB 0.113 40.986 40.800 0.122 0.000 1.148 197 D HN 0.675 nan 8.370 nan 0.000 0.483 198 G N 3.368 112.222 108.800 0.090 0.000 2.238 198 G HA2 -0.225 3.736 3.960 0.001 0.000 0.217 198 G HA3 -0.225 3.736 3.960 0.001 0.000 0.217 198 G C 0.254 175.216 174.900 0.103 0.000 0.996 198 G CA -0.084 45.065 45.100 0.082 0.000 0.632 198 G HN 0.610 nan 8.290 nan 0.000 0.503 199 D N 1.133 121.603 120.400 0.116 0.000 2.362 199 D HA 0.429 5.069 4.640 0.001 0.000 0.238 199 D C 1.131 177.591 176.300 0.267 0.000 1.212 199 D CA 0.374 54.454 54.000 0.134 0.000 0.902 199 D CB 0.342 41.163 40.800 0.036 0.000 1.180 199 D HN 0.103 nan 8.370 nan 0.000 0.445 200 M N 0.899 120.637 119.600 0.229 0.000 2.367 200 M HA 0.282 4.763 4.480 0.001 0.000 0.339 200 M C -0.278 176.189 176.300 0.278 0.000 1.177 200 M CA -0.900 54.522 55.300 0.204 0.000 1.068 200 M CB 1.390 34.065 32.600 0.124 0.000 1.602 200 M HN -0.023 nan 8.290 nan 0.000 0.457 201 V N 1.861 121.834 119.914 0.098 0.000 2.644 201 V HA 0.186 4.306 4.120 0.001 0.000 0.295 201 V C 0.271 176.418 176.094 0.088 0.000 1.053 201 V CA -1.162 61.168 62.300 0.051 0.000 0.987 201 V CB 1.249 32.950 31.823 -0.205 0.000 1.006 201 V HN 0.910 nan 8.190 nan 0.000 0.472 202 D N 1.993 122.497 120.400 0.173 0.000 2.525 202 D HA -0.073 4.567 4.640 0.001 0.000 0.235 202 D C 0.841 177.143 176.300 0.005 0.000 1.137 202 D CA 0.566 54.648 54.000 0.137 0.000 0.868 202 D CB 1.230 42.122 40.800 0.153 0.000 1.180 202 D HN 0.793 nan 8.370 nan 0.000 0.465 203 T N -1.597 112.896 114.554 -0.102 0.000 3.044 203 T HA 0.465 4.815 4.350 0.001 0.000 0.260 203 T C 1.274 175.869 174.700 -0.176 0.000 1.019 203 T CA 0.138 62.034 62.100 -0.340 0.000 0.921 203 T CB 0.377 68.514 68.868 -1.219 0.000 1.053 203 T HN 0.812 nan 8.240 nan 0.000 0.533 204 G N 0.830 109.588 108.800 -0.071 0.000 2.425 204 G HA2 -0.079 3.881 3.960 0.001 0.000 0.177 204 G HA3 -0.079 3.881 3.960 0.001 0.000 0.177 204 G C 0.160 174.867 174.900 -0.321 0.000 0.999 204 G CA -0.374 44.615 45.100 -0.185 0.000 0.723 204 G HN 0.429 nan 8.290 nan 0.000 0.491 205 F N 2.002 121.987 119.950 0.058 0.000 2.668 205 F HA 0.527 5.055 4.527 0.001 0.000 0.301 205 F C 1.543 177.480 175.800 0.229 0.000 1.106 205 F CA 0.518 58.622 58.000 0.172 0.000 1.289 205 F CB 0.917 40.053 39.000 0.227 0.000 1.006 205 F HN 0.723 nan 8.300 nan 0.000 0.535 206 G N 1.005 109.955 108.800 0.250 0.000 2.829 206 G HA2 0.087 4.048 3.960 0.001 0.000 0.628 206 G HA3 0.087 4.048 3.960 0.001 0.000 0.628 206 G C -0.464 174.601 174.900 0.275 0.000 1.412 206 G CA -0.693 44.529 45.100 0.203 0.000 0.864 206 G HN 0.641 nan 8.290 nan 0.000 0.544 207 A N 0.681 123.645 122.820 0.240 0.000 2.366 207 A HA 0.783 5.104 4.320 0.001 0.000 0.322 207 A C 0.501 178.238 177.584 0.256 0.000 1.397 207 A CA 0.873 53.068 52.037 0.263 0.000 0.984 207 A CB -0.507 18.644 19.000 0.252 0.000 1.149 207 A HN 1.981 nan 8.150 nan 0.000 0.540 208 M N 0.381 120.041 119.600 0.100 0.000 2.683 208 M HA 0.536 5.017 4.480 0.001 0.000 0.274 208 M C -1.637 174.509 176.300 -0.256 0.000 1.272 208 M CA -0.852 54.410 55.300 -0.065 0.000 0.833 208 M CB 1.747 34.162 32.600 -0.309 0.000 1.708 208 M HN 0.252 nan 8.290 nan 0.000 0.463 209 D N 1.195 121.540 120.400 -0.092 0.000 2.468 209 D HA 0.325 4.966 4.640 0.001 0.000 0.218 209 D C -0.058 176.160 176.300 -0.137 0.000 1.155 209 D CA -0.262 53.714 54.000 -0.042 0.000 0.924 209 D CB 0.017 40.881 40.800 0.107 0.000 1.029 209 D HN 0.554 nan 8.370 nan 0.000 0.515 210 F N 1.050 121.028 119.950 0.048 0.000 2.269 210 F HA -0.127 4.401 4.527 0.001 0.000 0.301 210 F C 2.440 178.244 175.800 0.008 0.000 1.082 210 F CA 0.761 58.770 58.000 0.016 0.000 1.360 210 F CB -0.460 38.530 39.000 -0.018 0.000 1.041 210 F HN 0.272 nan 8.300 nan 0.000 0.512 211 T N -1.221 113.432 114.554 0.164 0.000 2.701 211 T HA -0.176 4.175 4.350 0.001 0.000 0.263 211 T C 2.144 176.879 174.700 0.058 0.000 1.040 211 T CA 2.009 64.167 62.100 0.096 0.000 1.147 211 T CB -0.724 68.188 68.868 0.073 0.000 0.865 211 T HN 0.413 nan 8.240 nan 0.000 0.426 212 T N -0.632 113.950 114.554 0.046 0.000 3.148 212 T HA 0.170 4.521 4.350 0.001 0.000 0.253 212 T C 1.263 175.973 174.700 0.017 0.000 1.134 212 T CA 0.201 62.319 62.100 0.030 0.000 1.051 212 T CB -0.099 68.791 68.868 0.036 0.000 0.959 212 T HN 0.054 nan 8.240 nan 0.000 0.525 213 L N 0.203 121.429 121.223 0.005 0.000 2.858 213 L HA 0.501 4.842 4.340 0.001 0.000 0.251 213 L C 0.195 177.062 176.870 -0.005 0.000 1.149 213 L CA 0.333 55.163 54.840 -0.017 0.000 0.955 213 L CB 0.158 42.178 42.059 -0.066 0.000 1.289 213 L HN 0.368 nan 8.230 nan 0.000 0.542 214 Q N -1.029 118.786 119.800 0.025 0.000 2.786 214 Q HA 0.421 4.762 4.340 0.001 0.000 0.240 214 Q C 0.729 176.742 176.000 0.023 0.000 0.928 214 Q CA 0.092 55.912 55.803 0.029 0.000 0.721 214 Q CB 1.568 30.350 28.738 0.073 0.000 1.318 214 Q HN 0.111 nan 8.270 nan 0.000 0.474 215 A N 2.004 124.827 122.820 0.006 0.000 2.019 215 A HA -0.219 4.101 4.320 0.001 0.000 0.219 215 A C 1.806 179.386 177.584 -0.006 0.000 1.164 215 A CA 1.531 53.569 52.037 0.002 0.000 0.644 215 A CB -0.261 18.736 19.000 -0.005 0.000 0.805 215 A HN 0.734 nan 8.150 nan 0.000 0.449 216 N N -0.116 118.574 118.700 -0.017 0.000 2.091 216 N HA -0.248 4.493 4.740 0.001 0.000 0.193 216 N C 0.657 176.146 175.510 -0.035 0.000 1.021 216 N CA 1.859 54.886 53.050 -0.037 0.000 0.862 216 N CB -0.236 38.215 38.487 -0.060 0.000 1.018 216 N HN 0.522 nan 8.380 nan 0.000 0.429 217 K N -1.907 118.486 120.400 -0.011 0.000 3.349 217 K HA -0.132 4.188 4.320 0.001 0.000 0.310 217 K C -0.313 176.299 176.600 0.020 0.000 1.267 217 K CA 0.875 57.175 56.287 0.021 0.000 0.920 217 K CB -1.308 31.211 32.500 0.031 0.000 1.240 217 K HN 0.201 nan 8.250 nan 0.000 0.453 218 S N -0.654 114.981 115.700 -0.109 0.000 3.009 218 S HA 0.102 4.573 4.470 0.001 0.000 0.254 218 S C 0.574 174.991 174.600 -0.305 0.000 1.004 218 S CA -0.688 57.312 58.200 -0.334 0.000 1.119 218 S CB 0.630 63.592 63.200 -0.398 0.000 1.075 218 S HN 0.193 nan 8.310 nan 0.000 0.618 219 E N 1.492 121.560 120.200 -0.221 0.000 2.216 219 E HA 0.044 4.394 4.350 0.001 0.000 0.192 219 E C 1.043 177.386 176.600 -0.428 0.000 0.988 219 E CA 0.799 57.017 56.400 -0.304 0.000 0.834 219 E CB 0.191 29.774 29.700 -0.195 0.000 0.772 219 E HN 0.541 nan 8.360 nan 0.000 0.479 220 V N -2.499 117.181 119.914 -0.390 0.000 3.130 220 V HA 0.531 4.652 4.120 0.001 0.000 0.310 220 V C -2.903 173.068 176.094 -0.205 0.000 1.158 220 V CA -3.034 58.931 62.300 -0.558 0.000 1.029 220 V CB 1.697 32.930 31.823 -0.982 0.000 1.057 220 V HN -0.268 nan 8.190 nan 0.000 0.436 221 P HA 0.109 nan 4.420 nan 0.000 0.269 221 P C 0.971 178.186 177.300 -0.142 0.000 1.211 221 P CA -0.144 62.909 63.100 -0.078 0.000 0.781 221 P CB 0.306 31.959 31.700 -0.079 0.000 0.877 222 L N 2.124 123.186 121.223 -0.268 0.000 2.021 222 L HA -0.214 4.127 4.340 0.001 0.000 0.215 222 L C 1.909 178.751 176.870 -0.047 0.000 1.074 222 L CA 2.274 56.988 54.840 -0.209 0.000 0.760 222 L CB -1.947 40.022 42.059 -0.149 0.000 0.889 222 L HN 0.532 nan 8.230 nan 0.000 0.433 223 D N -0.046 120.330 120.400 -0.039 0.000 2.311 223 D HA -0.207 4.434 4.640 0.001 0.000 0.212 223 D C 1.647 177.984 176.300 0.062 0.000 0.972 223 D CA 1.416 55.477 54.000 0.101 0.000 0.887 223 D CB -0.330 40.593 40.800 0.204 0.000 0.915 223 D HN 0.653 nan 8.370 nan 0.000 0.497 224 I N -3.578 116.968 120.570 -0.041 0.000 4.439 224 I HA 0.247 4.418 4.170 0.001 0.000 0.331 224 I C 2.130 178.115 176.117 -0.219 0.000 1.345 224 I CA -0.599 60.617 61.300 -0.140 0.000 1.193 224 I CB 0.007 37.815 38.000 -0.320 0.000 1.221 224 I HN 0.016 nan 8.210 nan 0.000 0.429 225 C N 2.736 121.933 119.300 -0.172 0.000 2.375 225 C HA -0.196 4.264 4.460 0.001 0.000 0.274 225 C C 2.225 177.217 174.990 0.003 0.000 1.190 225 C CA 2.264 61.215 59.018 -0.111 0.000 1.775 225 C CB -1.268 26.440 27.740 -0.053 0.000 2.067 225 C HN 0.748 nan 8.230 nan 0.000 0.463 226 T N -1.878 112.694 114.554 0.030 0.000 3.415 226 T HA 0.513 4.864 4.350 0.001 0.000 0.282 226 T C 0.038 174.785 174.700 0.079 0.000 1.007 226 T CA -0.139 62.000 62.100 0.065 0.000 0.958 226 T CB 0.130 69.020 68.868 0.037 0.000 1.171 226 T HN 0.444 nan 8.240 nan 0.000 0.500 227 S N 0.618 116.383 115.700 0.108 0.000 2.823 227 S HA 0.836 5.306 4.470 0.001 0.000 0.316 227 S C -0.937 173.772 174.600 0.181 0.000 1.116 227 S CA -0.814 57.451 58.200 0.109 0.000 0.911 227 S CB 0.915 64.167 63.200 0.086 0.000 1.276 227 S HN 0.363 nan 8.310 nan 0.000 0.565 228 I N 0.884 121.520 120.570 0.111 0.000 2.418 228 I HA 0.350 4.520 4.170 0.001 0.000 0.287 228 I C -0.960 175.225 176.117 0.115 0.000 1.008 228 I CA -0.125 61.215 61.300 0.065 0.000 1.104 228 I CB 1.214 39.096 38.000 -0.197 0.000 1.264 228 I HN 0.472 nan 8.210 nan 0.000 0.438 229 C N 6.277 125.732 119.300 0.258 0.000 2.303 229 C HA 0.445 4.906 4.460 0.001 0.000 0.341 229 C C 0.403 175.524 174.990 0.219 0.000 1.244 229 C CA -0.771 58.409 59.018 0.271 0.000 1.765 229 C CB -0.664 27.307 27.740 0.386 0.000 2.379 229 C HN 0.638 nan 8.230 nan 0.000 0.530 230 K N 2.488 123.021 120.400 0.223 0.000 2.156 230 K HA 0.516 4.837 4.320 0.001 0.000 0.250 230 K C -1.237 175.568 176.600 0.342 0.000 0.955 230 K CA -0.598 55.799 56.287 0.183 0.000 0.855 230 K CB 2.135 34.618 32.500 -0.028 0.000 1.101 230 K HN 0.617 nan 8.250 nan 0.000 0.434 231 Y N 1.683 122.045 120.300 0.104 0.000 2.409 231 Y HA 0.307 4.858 4.550 0.001 0.000 0.343 231 Y C -2.645 173.231 175.900 -0.039 0.000 0.973 231 Y CA -2.583 55.587 58.100 0.118 0.000 1.064 231 Y CB 1.716 40.242 38.460 0.110 0.000 1.207 231 Y HN 0.395 nan 8.280 nan 0.000 0.452 232 P HA -0.018 nan 4.420 nan 0.000 0.264 232 P C -0.770 176.052 177.300 -0.796 0.000 1.193 232 P CA 0.375 62.966 63.100 -0.849 0.000 0.763 232 P CB 0.493 31.360 31.700 -1.388 0.000 0.810 233 D N 2.883 122.985 120.400 -0.496 0.000 2.563 233 D HA 0.040 4.681 4.640 0.001 0.000 0.222 233 D C 0.575 176.701 176.300 -0.289 0.000 1.145 233 D CA -0.208 53.630 54.000 -0.270 0.000 1.001 233 D CB -0.285 40.406 40.800 -0.182 0.000 1.049 233 D HN 0.294 nan 8.370 nan 0.000 0.515 234 Y N 1.123 121.270 120.300 -0.254 0.000 2.165 234 Y HA -0.236 4.315 4.550 0.001 0.000 0.286 234 Y C 2.080 177.880 175.900 -0.167 0.000 1.155 234 Y CA 0.684 58.606 58.100 -0.297 0.000 1.164 234 Y CB -0.257 37.968 38.460 -0.391 0.000 0.978 234 Y HN 0.316 nan 8.280 nan 0.000 0.513 235 I N 0.368 120.977 120.570 0.065 0.000 2.127 235 I HA -0.322 3.849 4.170 0.001 0.000 0.241 235 I C 2.479 178.595 176.117 -0.001 0.000 1.075 235 I CA 1.654 62.975 61.300 0.036 0.000 1.334 235 I CB -0.705 37.317 38.000 0.036 0.000 1.040 235 I HN 0.086 nan 8.210 nan 0.000 0.405 236 K N 0.439 120.819 120.400 -0.034 0.000 2.032 236 K HA -0.200 4.121 4.320 0.001 0.000 0.209 236 K C 2.219 178.791 176.600 -0.048 0.000 1.048 236 K CA 1.738 57.996 56.287 -0.048 0.000 0.927 236 K CB -0.171 32.283 32.500 -0.077 0.000 0.712 236 K HN 0.217 nan 8.250 nan 0.000 0.441 237 M N 0.454 120.007 119.600 -0.077 0.000 2.149 237 M HA -0.161 4.320 4.480 0.001 0.000 0.261 237 M C 2.035 178.331 176.300 -0.007 0.000 1.064 237 M CA 1.255 56.514 55.300 -0.069 0.000 1.102 237 M CB -0.014 32.505 32.600 -0.134 0.000 1.369 237 M HN 0.015 nan 8.290 nan 0.000 0.408 238 V N -1.144 118.778 119.914 0.014 0.000 2.871 238 V HA -0.115 4.006 4.120 0.001 0.000 0.256 238 V C 2.141 178.256 176.094 0.035 0.000 1.082 238 V CA 1.361 63.693 62.300 0.054 0.000 1.105 238 V CB -0.249 31.623 31.823 0.082 0.000 0.713 238 V HN 0.381 nan 8.190 nan 0.000 0.473 239 S N -0.801 114.909 115.700 0.017 0.000 2.414 239 S HA -0.083 4.388 4.470 0.001 0.000 0.227 239 S C 1.014 175.618 174.600 0.007 0.000 1.022 239 S CA 0.166 58.371 58.200 0.009 0.000 0.958 239 S CB -0.218 62.982 63.200 -0.000 0.000 0.797 239 S HN 0.775 nan 8.310 nan 0.000 0.493 240 E N 3.231 123.438 120.200 0.012 0.000 2.900 240 E HA -0.107 4.243 4.350 0.001 0.000 0.259 240 E C -1.269 175.350 176.600 0.031 0.000 0.918 240 E CA -0.720 55.694 56.400 0.024 0.000 0.960 240 E CB 0.660 30.386 29.700 0.043 0.000 0.908 240 E HN 0.113 nan 8.360 nan 0.000 0.511 241 P HA -0.225 nan 4.420 nan 0.000 0.214 241 P C 0.612 177.879 177.300 -0.055 0.000 1.163 241 P CA 1.726 64.760 63.100 -0.111 0.000 0.889 241 P CB -0.134 31.381 31.700 -0.307 0.000 0.790 242 Y N -0.741 119.661 120.300 0.171 0.000 2.490 242 Y HA 0.274 4.825 4.550 0.001 0.000 0.285 242 Y C 1.873 177.939 175.900 0.276 0.000 1.117 242 Y CA 0.546 58.794 58.100 0.248 0.000 1.262 242 Y CB -0.662 37.909 38.460 0.186 0.000 1.043 242 Y HN 0.057 nan 8.280 nan 0.000 0.553 243 G N 0.959 109.952 108.800 0.321 0.000 2.295 243 G HA2 -0.273 3.687 3.960 0.001 0.000 0.287 243 G HA3 -0.273 3.687 3.960 0.001 0.000 0.287 243 G C 0.316 175.414 174.900 0.331 0.000 1.055 243 G CA 0.615 45.877 45.100 0.270 0.000 0.922 243 G HN 0.413 nan 8.290 nan 0.000 0.503 244 D N 0.143 120.726 120.400 0.304 0.000 2.240 244 D HA -0.047 4.593 4.640 0.001 0.000 0.206 244 D C 2.650 179.004 176.300 0.089 0.000 0.963 244 D CA 1.184 55.366 54.000 0.303 0.000 0.863 244 D CB -0.222 40.761 40.800 0.305 0.000 0.973 244 D HN 0.631 nan 8.370 nan 0.000 0.501 245 S N 0.764 116.476 115.700 0.021 0.000 2.399 245 S HA -0.095 4.376 4.470 0.001 0.000 0.231 245 S C 0.920 175.419 174.600 -0.168 0.000 1.022 245 S CA 0.438 58.574 58.200 -0.107 0.000 0.983 245 S CB -0.357 62.772 63.200 -0.119 0.000 0.803 245 S HN 0.300 nan 8.310 nan 0.000 0.480 246 L N -1.694 119.461 121.223 -0.113 0.000 2.710 246 L HA 0.618 4.959 4.340 0.001 0.000 0.262 246 L C -0.613 176.295 176.870 0.063 0.000 0.940 246 L CA -1.024 53.738 54.840 -0.131 0.000 0.944 246 L CB 0.489 42.518 42.059 -0.051 0.000 1.348 246 L HN 0.032 nan 8.230 nan 0.000 0.425 247 F N 2.338 122.420 119.950 0.220 0.000 2.639 247 F HA 0.759 5.286 4.527 0.001 0.000 0.302 247 F C -0.340 175.640 175.800 0.300 0.000 1.097 247 F CA -1.323 56.813 58.000 0.227 0.000 1.294 247 F CB -0.177 38.944 39.000 0.202 0.000 1.027 247 F HN 0.402 nan 8.300 nan 0.000 0.550 248 F N 1.660 121.797 119.950 0.311 0.000 2.704 248 F HA 0.517 5.045 4.527 0.001 0.000 0.312 248 F C -2.111 173.797 175.800 0.181 0.000 1.108 248 F CA -1.800 56.311 58.000 0.185 0.000 1.005 248 F CB 0.813 39.937 39.000 0.205 0.000 1.277 248 F HN 0.088 nan 8.300 nan 0.000 0.445 249 Y N 4.329 123.909 120.300 -1.200 0.000 2.624 249 Y HA 0.810 5.361 4.550 0.001 0.000 0.334 249 Y C -2.512 172.838 175.900 -0.917 0.000 1.155 249 Y CA -1.846 55.728 58.100 -0.877 0.000 1.046 249 Y CB 1.417 39.729 38.460 -0.246 0.000 1.316 249 Y HN 0.700 nan 8.280 nan 0.000 0.457 250 L N 4.013 125.009 121.223 -0.379 0.000 2.438 250 L HA 0.698 5.038 4.340 0.001 0.000 0.270 250 L C -1.082 175.785 176.870 -0.005 0.000 0.972 250 L CA -0.972 53.693 54.840 -0.291 0.000 0.831 250 L CB 2.424 44.255 42.059 -0.381 0.000 1.273 250 L HN 0.919 nan 8.230 nan 0.000 0.405 251 R N 2.236 122.749 120.500 0.021 0.000 2.628 251 R HA 0.853 5.193 4.340 0.001 0.000 0.288 251 R C -1.006 175.300 176.300 0.011 0.000 0.980 251 R CA -1.017 55.115 56.100 0.054 0.000 0.891 251 R CB 2.320 32.632 30.300 0.021 0.000 1.188 251 R HN 0.488 nan 8.270 nan 0.000 0.450 252 R N 1.580 122.104 120.500 0.040 0.000 2.569 252 R HA 0.189 4.529 4.340 0.001 0.000 0.293 252 R C -1.606 174.736 176.300 0.071 0.000 1.186 252 R CA -0.383 55.736 56.100 0.032 0.000 0.956 252 R CB 1.498 31.797 30.300 -0.001 0.000 1.196 252 R HN 0.953 nan 8.270 nan 0.000 0.444 253 E N 3.591 123.836 120.200 0.076 0.000 2.314 253 E HA 0.400 4.750 4.350 0.001 0.000 0.272 253 E C -1.432 175.210 176.600 0.070 0.000 0.884 253 E CA -1.067 55.388 56.400 0.090 0.000 0.753 253 E CB 2.545 32.323 29.700 0.131 0.000 1.213 253 E HN 0.543 nan 8.360 nan 0.000 0.432 254 Q N 2.891 122.734 119.800 0.071 0.000 2.418 254 Q HA 0.678 5.018 4.340 0.001 0.000 0.282 254 Q C -1.148 174.896 176.000 0.074 0.000 1.044 254 Q CA -1.133 54.712 55.803 0.071 0.000 0.813 254 Q CB 2.732 31.517 28.738 0.078 0.000 1.428 254 Q HN 0.599 nan 8.270 nan 0.000 0.402 255 M N 2.439 122.089 119.600 0.084 0.000 2.523 255 M HA 0.567 5.048 4.480 0.001 0.000 0.287 255 M C -2.283 174.093 176.300 0.127 0.000 1.160 255 M CA -0.491 54.842 55.300 0.055 0.000 0.902 255 M CB 2.325 34.919 32.600 -0.010 0.000 1.752 255 M HN 0.920 nan 8.290 nan 0.000 0.504 256 F N 1.538 121.464 119.950 -0.039 0.000 2.643 256 F HA 0.799 5.327 4.527 0.000 0.000 0.314 256 F C -1.755 173.993 175.800 -0.086 0.000 1.096 256 F CA -1.038 56.926 58.000 -0.060 0.000 0.953 256 F CB 0.910 39.876 39.000 -0.055 0.000 1.345 256 F HN 0.168 nan 8.300 nan 0.000 0.468 257 V N 3.609 123.588 119.914 0.108 0.000 2.405 257 V HA 0.247 4.368 4.120 0.001 0.000 0.264 257 V C 0.987 177.038 176.094 -0.070 0.000 1.048 257 V CA -0.028 62.225 62.300 -0.079 0.000 0.966 257 V CB 0.449 32.239 31.823 -0.056 0.000 1.015 257 V HN 0.906 nan 8.190 nan 0.000 0.477 258 R N 4.066 124.369 120.500 -0.328 0.000 2.057 258 R HA 0.095 4.436 4.340 0.001 0.000 0.224 258 R C 0.388 176.369 176.300 -0.532 0.000 1.136 258 R CA 1.262 57.163 56.100 -0.332 0.000 0.968 258 R CB 0.082 30.164 30.300 -0.362 0.000 0.863 258 R HN 0.792 nan 8.270 nan 0.000 0.433 259 H N -1.808 117.052 119.070 -0.349 0.000 2.865 259 H HA 0.490 5.046 4.556 0.000 0.000 0.372 259 H C -1.557 173.324 175.328 -0.745 0.000 1.173 259 H CA -0.881 54.829 56.048 -0.563 0.000 1.147 259 H CB 1.895 31.133 29.762 -0.874 0.000 1.805 259 H HN -0.060 nan 8.280 nan 0.000 0.553 260 L N 3.020 123.941 121.223 -0.503 0.000 2.316 260 L HA 0.378 4.719 4.340 0.001 0.000 0.280 260 L C -1.015 175.703 176.870 -0.253 0.000 1.006 260 L CA 0.079 54.679 54.840 -0.400 0.000 0.836 260 L CB 0.254 42.190 42.059 -0.204 0.000 1.221 260 L HN 0.481 nan 8.230 nan 0.000 0.418 261 F N 0.539 120.275 119.950 -0.357 0.000 2.585 261 F HA 0.498 5.025 4.527 0.000 0.000 0.350 261 F C 0.573 176.317 175.800 -0.094 0.000 1.074 261 F CA -1.086 56.702 58.000 -0.353 0.000 1.032 261 F CB 1.545 40.107 39.000 -0.729 0.000 1.330 261 F HN 0.373 nan 8.300 nan 0.000 0.495 262 N N -0.078 118.780 118.700 0.262 0.000 2.335 262 N HA 0.354 5.094 4.740 0.001 0.000 0.304 262 N C -1.362 174.343 175.510 0.324 0.000 1.135 262 N CA -0.843 52.339 53.050 0.221 0.000 0.817 262 N CB 1.370 39.904 38.487 0.078 0.000 1.294 262 N HN 0.281 nan 8.380 nan 0.000 0.497 263 R N 1.402 122.034 120.500 0.220 0.000 2.338 263 R HA 0.438 4.778 4.340 0.001 0.000 0.317 263 R C -0.501 175.817 176.300 0.031 0.000 0.968 263 R CA -0.448 55.740 56.100 0.147 0.000 0.849 263 R CB 1.375 31.723 30.300 0.080 0.000 1.128 263 R HN 0.576 nan 8.270 nan 0.000 0.448 264 A N 1.392 124.216 122.820 0.007 0.000 2.296 264 A HA 0.736 5.057 4.320 0.001 0.000 0.264 264 A C 0.641 178.205 177.584 -0.033 0.000 1.097 264 A CA 0.626 52.649 52.037 -0.023 0.000 0.811 264 A CB 0.433 19.413 19.000 -0.034 0.000 1.072 264 A HN 0.839 nan 8.150 nan 0.000 0.495 265 G N -1.196 107.584 108.800 -0.033 0.000 2.316 265 G HA2 0.483 4.443 3.960 0.001 0.000 0.349 265 G HA3 0.483 4.443 3.960 0.001 0.000 0.349 265 G C -0.307 174.575 174.900 -0.028 0.000 1.274 265 G CA 0.138 45.218 45.100 -0.033 0.000 1.018 265 G HN 2.088 nan 8.290 nan 0.000 0.486 266 T N -2.129 112.410 114.554 -0.026 0.000 2.885 266 T HA 0.653 5.004 4.350 0.001 0.000 0.285 266 T C 0.223 174.909 174.700 -0.023 0.000 1.019 266 T CA -0.165 61.922 62.100 -0.022 0.000 1.010 266 T CB 1.764 70.622 68.868 -0.016 0.000 1.022 266 T HN 1.515 nan 8.240 nan 0.000 0.466 267 V N 3.421 123.322 119.914 -0.022 0.000 2.555 267 V HA 0.183 4.303 4.120 0.001 0.000 0.299 267 V C 1.721 177.805 176.094 -0.016 0.000 1.012 267 V CA 1.082 63.368 62.300 -0.022 0.000 1.180 267 V CB -0.181 31.632 31.823 -0.017 0.000 0.887 267 V HN 1.218 nan 8.190 nan 0.000 0.476 268 G N 4.466 113.254 108.800 -0.019 0.000 2.426 268 G HA2 0.040 4.000 3.960 0.001 0.000 0.214 268 G HA3 0.040 4.000 3.960 0.001 0.000 0.214 268 G C 0.426 175.320 174.900 -0.011 0.000 1.156 268 G CA 0.021 45.111 45.100 -0.015 0.000 0.802 268 G HN 0.672 nan 8.290 nan 0.000 0.534 269 E N 0.673 120.866 120.200 -0.012 0.000 2.241 269 E HA 0.247 4.597 4.350 0.001 0.000 0.263 269 E C -1.129 175.470 176.600 -0.002 0.000 0.882 269 E CA -0.741 55.656 56.400 -0.005 0.000 0.769 269 E CB 1.467 31.163 29.700 -0.006 0.000 1.185 269 E HN 0.003 nan 8.360 nan 0.000 0.415 270 N N 1.159 119.864 118.700 0.009 0.000 2.525 270 N HA 0.118 4.859 4.740 0.001 0.000 0.271 270 N C -0.497 175.034 175.510 0.035 0.000 1.194 270 N CA -0.103 52.959 53.050 0.020 0.000 0.964 270 N CB 1.254 39.762 38.487 0.035 0.000 1.126 270 N HN 0.161 nan 8.380 nan 0.000 0.452 271 V N 4.116 124.053 119.914 0.038 0.000 2.446 271 V HA 0.102 4.223 4.120 0.001 0.000 0.276 271 V C -1.823 174.371 176.094 0.167 0.000 1.030 271 V CA -1.113 61.226 62.300 0.066 0.000 1.033 271 V CB 0.282 32.093 31.823 -0.018 0.000 0.993 271 V HN 0.548 nan 8.190 nan 0.000 0.477 272 P HA 0.045 nan 4.420 nan 0.000 0.261 272 P C 0.262 177.680 177.300 0.197 0.000 1.183 272 P CA -0.046 63.130 63.100 0.127 0.000 0.761 272 P CB 0.346 32.095 31.700 0.081 0.000 0.785 273 D N 1.743 122.208 120.400 0.109 0.000 2.392 273 D HA -0.176 4.464 4.640 0.001 0.000 0.228 273 D C 0.784 176.954 176.300 -0.216 0.000 1.003 273 D CA 0.688 54.604 54.000 -0.141 0.000 0.917 273 D CB -0.609 40.061 40.800 -0.216 0.000 0.890 273 D HN 0.416 nan 8.370 nan 0.000 0.532 274 D N 0.562 120.931 120.400 -0.050 0.000 2.349 274 D HA -0.103 4.538 4.640 0.001 0.000 0.224 274 D C 1.409 177.713 176.300 0.007 0.000 1.029 274 D CA 0.054 54.028 54.000 -0.042 0.000 0.879 274 D CB -0.149 40.645 40.800 -0.010 0.000 0.906 274 D HN 0.319 nan 8.370 nan 0.000 0.528 275 L N -0.336 120.943 121.223 0.093 0.000 2.628 275 L HA 0.216 4.557 4.340 0.001 0.000 0.229 275 L C -0.259 176.790 176.870 0.298 0.000 1.137 275 L CA -0.350 54.599 54.840 0.181 0.000 0.909 275 L CB -0.351 41.835 42.059 0.212 0.000 1.137 275 L HN 0.115 nan 8.230 nan 0.000 0.470 276 Y N -3.182 117.130 120.300 0.021 0.000 2.774 276 Y HA 0.509 5.059 4.550 0.001 0.000 0.346 276 Y C -1.413 174.495 175.900 0.014 0.000 1.222 276 Y CA -1.605 56.508 58.100 0.022 0.000 1.088 276 Y CB 0.624 39.102 38.460 0.031 0.000 1.354 276 Y HN -0.212 nan 8.280 nan 0.000 0.455 277 I N 3.423 124.023 120.570 0.050 0.000 2.339 277 I HA 0.273 4.443 4.170 0.001 0.000 0.290 277 I C -0.294 175.861 176.117 0.063 0.000 0.994 277 I CA -1.065 60.206 61.300 -0.049 0.000 1.191 277 I CB 1.259 39.263 38.000 0.007 0.000 1.343 277 I HN 0.430 nan 8.210 nan 0.000 0.458 278 K N 4.096 124.459 120.400 -0.063 0.000 2.586 278 K HA -0.003 4.318 4.320 0.001 0.000 0.280 278 K C 0.520 177.168 176.600 0.080 0.000 0.972 278 K CA 0.189 56.519 56.287 0.072 0.000 1.040 278 K CB 0.585 33.080 32.500 -0.008 0.000 0.870 278 K HN 0.862 nan 8.250 nan 0.000 0.497 279 G N 0.551 109.403 108.800 0.087 0.000 2.714 279 G HA2 0.433 4.394 3.960 0.001 0.000 0.197 279 G HA3 0.433 4.394 3.960 0.001 0.000 0.197 279 G C -0.515 174.374 174.900 -0.017 0.000 1.449 279 G CA 0.065 45.167 45.100 0.004 0.000 1.065 279 G HN 0.707 nan 8.290 nan 0.000 0.575 280 S N -3.707 111.962 115.700 -0.052 0.000 2.683 280 S HA 0.546 5.016 4.470 0.001 0.000 0.278 280 S C 0.448 175.014 174.600 -0.057 0.000 1.059 280 S CA 0.257 58.433 58.200 -0.039 0.000 0.847 280 S CB 0.866 64.051 63.200 -0.026 0.000 1.078 280 S HN 2.577 nan 8.310 nan 0.000 0.456 281 G N 2.788 111.566 108.800 -0.037 0.000 2.620 281 G HA2 -0.376 3.585 3.960 0.001 0.000 0.315 281 G HA3 -0.376 3.585 3.960 0.001 0.000 0.315 281 G C 1.322 176.194 174.900 -0.047 0.000 1.179 281 G CA 1.954 47.034 45.100 -0.034 0.000 0.971 281 G HN 2.286 nan 8.290 nan 0.000 0.544 282 S N -0.372 115.288 115.700 -0.067 0.000 2.357 282 S HA -0.033 4.438 4.470 0.001 0.000 0.221 282 S C 2.286 176.740 174.600 -0.243 0.000 1.031 282 S CA 2.715 60.866 58.200 -0.081 0.000 0.982 282 S CB -1.066 62.109 63.200 -0.042 0.000 0.853 282 S HN 2.045 nan 8.310 nan 0.000 0.458 283 T N -0.502 113.818 114.554 -0.391 0.000 3.284 283 T HA 0.523 4.874 4.350 0.001 0.000 0.252 283 T C 1.499 176.056 174.700 -0.239 0.000 1.144 283 T CA 0.424 62.179 62.100 -0.574 0.000 1.021 283 T CB -0.315 68.275 68.868 -0.463 0.000 0.984 283 T HN 0.496 nan 8.240 nan 0.000 0.545 284 A N 2.300 125.044 122.820 -0.127 0.000 1.897 284 A HA 0.073 4.393 4.320 0.001 0.000 0.215 284 A C 1.261 178.844 177.584 -0.001 0.000 1.181 284 A CA 0.469 52.483 52.037 -0.038 0.000 0.620 284 A CB -0.231 18.757 19.000 -0.020 0.000 0.821 284 A HN 0.548 nan 8.150 nan 0.000 0.443 285 N N 0.816 119.520 118.700 0.006 0.000 2.426 285 N HA 0.378 5.119 4.740 0.001 0.000 0.257 285 N C -1.199 174.372 175.510 0.103 0.000 1.002 285 N CA -0.372 52.710 53.050 0.054 0.000 0.942 285 N CB 1.341 39.867 38.487 0.066 0.000 1.112 285 N HN 0.093 nan 8.380 nan 0.000 0.499 286 L N 2.041 123.305 121.223 0.068 0.000 2.499 286 L HA 0.116 4.456 4.340 0.001 0.000 0.273 286 L C 0.902 177.823 176.870 0.085 0.000 1.195 286 L CA 0.083 54.958 54.840 0.059 0.000 0.882 286 L CB -0.052 41.961 42.059 -0.078 0.000 1.133 286 L HN 0.553 nan 8.230 nan 0.000 0.483 287 A N 3.139 126.036 122.820 0.129 0.000 2.313 287 A HA 0.410 4.731 4.320 0.001 0.000 0.261 287 A C 0.412 177.942 177.584 -0.090 0.000 1.090 287 A CA -0.243 51.781 52.037 -0.021 0.000 0.807 287 A CB 0.248 19.123 19.000 -0.208 0.000 1.055 287 A HN 0.724 nan 8.150 nan 0.000 0.492 288 S N 0.220 115.847 115.700 -0.122 0.000 2.544 288 S HA 0.169 4.640 4.470 0.001 0.000 0.290 288 S C 0.931 175.325 174.600 -0.344 0.000 1.276 288 S CA 0.184 58.281 58.200 -0.171 0.000 1.075 288 S CB -0.201 62.922 63.200 -0.129 0.000 0.849 288 S HN 1.450 nan 8.310 nan 0.000 0.494 289 S N 3.313 118.778 115.700 -0.391 0.000 2.537 289 S HA 0.274 4.744 4.470 0.001 0.000 0.246 289 S C -0.058 174.143 174.600 -0.666 0.000 1.036 289 S CA -0.719 57.042 58.200 -0.731 0.000 1.041 289 S CB -0.658 62.358 63.200 -0.307 0.000 0.799 289 S HN 0.782 nan 8.310 nan 0.000 0.456 290 N N 1.843 120.273 118.700 -0.450 0.000 3.234 290 N HA 0.275 5.016 4.740 0.001 0.000 0.272 290 N C -1.224 174.251 175.510 -0.059 0.000 1.254 290 N CA -0.438 52.511 53.050 -0.168 0.000 1.087 290 N CB 0.314 38.761 38.487 -0.066 0.000 1.356 290 N HN 0.434 nan 8.380 nan 0.000 0.511 291 Y N 1.147 121.526 120.300 0.132 0.000 2.326 291 Y HA 0.320 4.871 4.550 0.001 0.000 0.333 291 Y C 0.219 176.278 175.900 0.265 0.000 1.240 291 Y CA -0.712 57.482 58.100 0.158 0.000 1.365 291 Y CB 0.432 38.927 38.460 0.059 0.000 1.289 291 Y HN 0.196 nan 8.280 nan 0.000 0.548 292 F N 1.097 121.205 119.950 0.264 0.000 2.615 292 F HA 0.749 5.277 4.527 0.001 0.000 0.312 292 F C -3.513 172.357 175.800 0.116 0.000 1.119 292 F CA -2.736 55.378 58.000 0.190 0.000 0.979 292 F CB 1.870 41.020 39.000 0.251 0.000 1.266 292 F HN 0.140 nan 8.300 nan 0.000 0.444 293 P HA 0.347 nan 4.420 nan 0.000 0.287 293 P C -1.112 176.056 177.300 -0.220 0.000 1.279 293 P CA -0.370 62.578 63.100 -0.253 0.000 0.867 293 P CB 2.231 33.825 31.700 -0.178 0.000 1.127 294 T N 3.454 117.825 114.554 -0.305 0.000 2.767 294 T HA 0.381 4.731 4.350 0.001 0.000 0.288 294 T C -2.055 172.515 174.700 -0.217 0.000 0.963 294 T CA -1.259 60.753 62.100 -0.146 0.000 1.019 294 T CB 0.729 69.516 68.868 -0.134 0.000 0.923 294 T HN 0.392 nan 8.240 nan 0.000 0.468 295 P HA 0.383 nan 4.420 nan 0.000 0.277 295 P C -0.785 176.345 177.300 -0.283 0.000 1.271 295 P CA -0.585 62.365 63.100 -0.250 0.000 0.795 295 P CB 0.920 32.506 31.700 -0.190 0.000 1.101 296 S N -0.705 114.733 115.700 -0.437 0.000 2.481 296 S HA 0.473 4.944 4.470 0.001 0.000 0.262 296 S C -0.540 173.826 174.600 -0.390 0.000 1.061 296 S CA -0.653 57.233 58.200 -0.524 0.000 1.039 296 S CB -0.410 62.156 63.200 -1.057 0.000 1.170 296 S HN 0.637 nan 8.310 nan 0.000 0.437 297 G N 3.120 111.864 108.800 -0.093 0.000 2.338 297 G HA2 0.453 4.414 3.960 0.001 0.000 0.295 297 G HA3 0.453 4.414 3.960 0.001 0.000 0.295 297 G C 0.589 175.547 174.900 0.097 0.000 1.132 297 G CA -0.080 45.041 45.100 0.035 0.000 0.922 297 G HN 0.758 nan 8.290 nan 0.000 0.427 298 S N 2.469 118.301 115.700 0.220 0.000 2.873 298 S HA 0.043 4.514 4.470 0.001 0.000 0.248 298 S C 1.292 175.978 174.600 0.145 0.000 1.454 298 S CA -0.118 58.241 58.200 0.265 0.000 1.067 298 S CB -0.091 63.263 63.200 0.257 0.000 0.785 298 S HN 0.663 nan 8.310 nan 0.000 0.472 299 M N 1.637 121.305 119.600 0.112 0.000 2.245 299 M HA 0.309 4.790 4.480 0.001 0.000 0.330 299 M C -0.767 175.574 176.300 0.068 0.000 1.098 299 M CA -0.352 54.994 55.300 0.075 0.000 1.172 299 M CB 0.484 33.115 32.600 0.053 0.000 1.467 299 M HN 0.416 nan 8.290 nan 0.000 0.454 300 V N 1.635 121.586 119.914 0.060 0.000 2.547 300 V HA 0.884 5.005 4.120 0.001 0.000 0.299 300 V C -0.341 175.781 176.094 0.047 0.000 1.040 300 V CA -0.534 61.802 62.300 0.060 0.000 0.913 300 V CB 1.279 33.141 31.823 0.066 0.000 0.992 300 V HN 0.933 nan 8.190 nan 0.000 0.449 301 T N 1.231 115.811 114.554 0.044 0.000 2.900 301 T HA 0.444 4.795 4.350 0.001 0.000 0.303 301 T C 0.830 175.549 174.700 0.031 0.000 1.142 301 T CA 0.316 62.436 62.100 0.032 0.000 1.007 301 T CB 2.082 70.965 68.868 0.024 0.000 1.156 301 T HN 0.740 nan 8.240 nan 0.000 0.490 302 S N 1.846 117.560 115.700 0.023 0.000 2.345 302 S HA -0.080 4.391 4.470 0.001 0.000 0.220 302 S C 1.498 176.107 174.600 0.014 0.000 1.031 302 S CA 1.313 59.525 58.200 0.021 0.000 0.996 302 S CB -0.422 62.786 63.200 0.014 0.000 0.882 302 S HN 0.848 nan 8.310 nan 0.000 0.445 303 D N 2.029 122.435 120.400 0.009 0.000 2.239 303 D HA -0.102 4.538 4.640 0.001 0.000 0.202 303 D C 1.525 177.825 176.300 -0.000 0.000 0.993 303 D CA 1.227 55.229 54.000 0.003 0.000 0.874 303 D CB -0.213 40.588 40.800 0.002 0.000 0.922 303 D HN 0.471 nan 8.370 nan 0.000 0.464 304 A N 0.266 123.089 122.820 0.004 0.000 2.345 304 A HA 0.008 4.329 4.320 0.001 0.000 0.225 304 A C 0.956 178.529 177.584 -0.017 0.000 1.243 304 A CA -0.160 51.875 52.037 -0.003 0.000 0.875 304 A CB 0.189 19.195 19.000 0.009 0.000 0.929 304 A HN -0.048 nan 8.150 nan 0.000 0.502 305 Q N -0.429 119.365 119.800 -0.010 0.000 2.395 305 Q HA 0.210 4.551 4.340 0.001 0.000 0.271 305 Q C 0.623 176.551 176.000 -0.120 0.000 1.026 305 Q CA 0.485 56.273 55.803 -0.024 0.000 0.900 305 Q CB 1.116 29.870 28.738 0.027 0.000 1.266 305 Q HN 0.547 nan 8.270 nan 0.000 0.430 306 I N 0.763 121.134 120.570 -0.332 0.000 3.939 306 I HA 0.033 4.204 4.170 0.001 0.000 0.313 306 I C 0.129 175.975 176.117 -0.453 0.000 1.274 306 I CA 0.145 61.150 61.300 -0.492 0.000 1.301 306 I CB 0.471 38.005 38.000 -0.776 0.000 1.105 306 I HN 0.386 nan 8.210 nan 0.000 0.427 307 F N 0.521 120.531 119.950 0.100 0.000 2.364 307 F HA 0.339 4.867 4.527 0.001 0.000 0.316 307 F C 1.137 176.901 175.800 -0.061 0.000 1.133 307 F CA -0.883 57.138 58.000 0.035 0.000 1.051 307 F CB 0.068 39.074 39.000 0.009 0.000 1.342 307 F HN -0.077 nan 8.300 nan 0.000 0.507 308 N N 0.297 119.036 118.700 0.066 0.000 2.725 308 N HA -0.216 4.525 4.740 0.001 0.000 0.249 308 N C -1.071 174.373 175.510 -0.109 0.000 1.103 308 N CA 0.768 53.789 53.050 -0.049 0.000 0.707 308 N CB -1.030 37.452 38.487 -0.007 0.000 1.043 308 N HN 0.581 nan 8.380 nan 0.000 0.553 309 K N -0.070 120.207 120.400 -0.206 0.000 2.498 309 K HA 0.437 4.757 4.320 0.001 0.000 0.254 309 K C -2.616 173.653 176.600 -0.553 0.000 0.933 309 K CA -1.402 54.738 56.287 -0.245 0.000 0.806 309 K CB 3.061 35.496 32.500 -0.108 0.000 1.301 309 K HN -0.162 nan 8.250 nan 0.000 0.432 310 P HA 0.152 nan 4.420 nan 0.000 0.284 310 P C -1.335 175.342 177.300 -1.039 0.000 1.253 310 P CA -0.292 62.228 63.100 -0.967 0.000 0.800 310 P CB 0.522 31.618 31.700 -1.007 0.000 0.961 311 Y N 0.647 120.401 120.300 -0.910 0.000 2.328 311 Y HA 0.323 4.873 4.550 0.001 0.000 0.337 311 Y C -0.033 175.379 175.900 -0.813 0.000 0.966 311 Y CA -0.934 56.685 58.100 -0.803 0.000 1.136 311 Y CB 1.328 39.302 38.460 -0.810 0.000 1.170 311 Y HN 0.329 nan 8.280 nan 0.000 0.470 312 W N 5.398 126.651 121.300 -0.078 0.000 2.288 312 W HA 0.467 5.128 4.660 0.001 0.000 0.325 312 W C -0.674 175.778 176.519 -0.112 0.000 1.019 312 W CA -0.775 56.529 57.345 -0.067 0.000 1.403 312 W CB 0.698 30.158 29.460 -0.000 0.000 1.226 312 W HN 0.392 nan 8.180 nan 0.000 0.391 313 L N 4.732 125.990 121.223 0.058 0.000 2.416 313 L HA 0.035 4.376 4.340 0.001 0.000 0.243 313 L C 1.571 178.478 176.870 0.061 0.000 1.373 313 L CA 0.153 54.991 54.840 -0.002 0.000 1.227 313 L CB -0.516 41.517 42.059 -0.044 0.000 1.428 313 L HN 0.618 nan 8.230 nan 0.000 0.425 314 Q N 0.290 120.151 119.800 0.102 0.000 2.134 314 Q HA 0.045 4.385 4.340 0.001 0.000 0.195 314 Q C 0.651 176.682 176.000 0.051 0.000 0.958 314 Q CA 0.403 56.254 55.803 0.080 0.000 0.840 314 Q CB 0.169 28.958 28.738 0.085 0.000 0.918 314 Q HN 0.382 nan 8.270 nan 0.000 0.467 315 R N 0.766 121.305 120.500 0.064 0.000 2.337 315 R HA 0.569 4.910 4.340 0.001 0.000 0.319 315 R C -1.425 174.923 176.300 0.079 0.000 0.954 315 R CA -0.020 56.115 56.100 0.058 0.000 0.840 315 R CB 1.887 32.221 30.300 0.056 0.000 1.164 315 R HN 0.344 nan 8.270 nan 0.000 0.472 316 A N 2.079 124.944 122.820 0.075 0.000 2.302 316 A HA 0.206 4.527 4.320 0.001 0.000 0.285 316 A C 0.472 178.121 177.584 0.108 0.000 1.105 316 A CA -0.618 51.492 52.037 0.121 0.000 0.816 316 A CB 0.847 19.924 19.000 0.128 0.000 1.067 316 A HN 0.783 nan 8.150 nan 0.000 0.489 317 Q N 1.302 121.173 119.800 0.118 0.000 2.378 317 Q HA 0.211 4.551 4.340 0.001 0.000 0.205 317 Q C 0.816 176.843 176.000 0.044 0.000 0.954 317 Q CA 0.907 56.755 55.803 0.074 0.000 0.901 317 Q CB -0.784 27.997 28.738 0.072 0.000 0.981 317 Q HN 0.700 nan 8.270 nan 0.000 0.483 318 G N -0.861 107.997 108.800 0.098 0.000 2.535 318 G HA2 0.283 4.244 3.960 0.001 0.000 0.303 318 G HA3 0.283 4.244 3.960 0.001 0.000 0.303 318 G C -0.497 174.458 174.900 0.092 0.000 1.237 318 G CA -0.566 44.577 45.100 0.071 0.000 0.986 318 G HN 0.326 nan 8.290 nan 0.000 0.494 319 H N -1.069 118.132 119.070 0.219 0.000 2.470 319 H HA 0.021 4.578 4.556 0.001 0.000 0.289 319 H C 0.751 176.235 175.328 0.261 0.000 1.033 319 H CA 0.216 56.405 56.048 0.234 0.000 1.331 319 H CB 0.451 30.383 29.762 0.283 0.000 1.414 319 H HN 0.291 nan 8.280 nan 0.000 0.545 320 N N 1.534 120.492 118.700 0.430 0.000 2.439 320 N HA -0.079 4.661 4.740 0.001 0.000 0.243 320 N C -0.727 174.875 175.510 0.154 0.000 1.088 320 N CA -0.025 53.248 53.050 0.373 0.000 0.940 320 N CB 0.047 38.850 38.487 0.527 0.000 1.180 320 N HN 0.151 nan 8.380 nan 0.000 0.505 321 N N 3.050 121.752 118.700 0.004 0.000 3.303 321 N HA 0.129 4.870 4.740 0.001 0.000 0.304 321 N C 0.489 175.756 175.510 -0.405 0.000 1.302 321 N CA 0.512 53.481 53.050 -0.135 0.000 1.213 321 N CB -0.707 37.740 38.487 -0.067 0.000 1.481 321 N HN 0.805 nan 8.380 nan 0.000 0.546 322 G N 1.176 109.399 108.800 -0.962 0.000 2.147 322 G HA2 -0.228 3.732 3.960 0.001 0.000 0.244 322 G HA3 -0.228 3.732 3.960 0.001 0.000 0.244 322 G C 0.104 174.594 174.900 -0.685 0.000 1.005 322 G CA -0.316 43.866 45.100 -1.530 0.000 0.713 322 G HN 0.394 nan 8.290 nan 0.000 0.515 323 I N 0.624 120.905 120.570 -0.481 0.000 2.416 323 I HA 0.195 4.366 4.170 0.001 0.000 0.288 323 I C 1.101 177.006 176.117 -0.353 0.000 1.051 323 I CA -0.890 60.107 61.300 -0.504 0.000 1.375 323 I CB 0.866 38.312 38.000 -0.924 0.000 1.407 323 I HN 0.146 nan 8.210 nan 0.000 0.516 324 C N 6.566 125.771 119.300 -0.158 0.000 2.700 324 C HA 0.193 4.654 4.460 0.001 0.000 0.529 324 C C 0.432 175.457 174.990 0.058 0.000 1.093 324 C CA -1.090 57.969 59.018 0.068 0.000 1.320 324 C CB -2.198 25.645 27.740 0.173 0.000 1.478 324 C HN 0.619 nan 8.230 nan 0.000 0.598 325 W N 0.559 121.964 121.300 0.175 0.000 2.314 325 W HA 0.357 5.017 4.660 0.001 0.000 0.339 325 W C 1.374 177.921 176.519 0.046 0.000 1.293 325 W CA 1.351 58.745 57.345 0.081 0.000 1.288 325 W CB 0.200 29.685 29.460 0.041 0.000 1.186 325 W HN 0.880 nan 8.180 nan 0.000 0.566 326 G N 2.221 111.170 108.800 0.249 0.000 2.162 326 G HA2 -0.413 3.547 3.960 0.001 0.000 0.260 326 G HA3 -0.413 3.547 3.960 0.001 0.000 0.260 326 G C 0.406 175.382 174.900 0.127 0.000 0.976 326 G CA 0.056 45.235 45.100 0.132 0.000 0.655 326 G HN 0.808 nan 8.290 nan 0.000 0.533 327 N N -0.760 118.028 118.700 0.147 0.000 2.735 327 N HA -0.171 4.570 4.740 0.001 0.000 0.248 327 N C 0.277 175.808 175.510 0.035 0.000 1.083 327 N CA 2.000 55.115 53.050 0.109 0.000 0.703 327 N CB -0.884 37.666 38.487 0.106 0.000 1.005 327 N HN 0.876 nan 8.380 nan 0.000 0.550 328 Q N -0.308 119.518 119.800 0.042 0.000 2.378 328 Q HA 0.754 5.095 4.340 0.001 0.000 0.276 328 Q C -0.690 175.278 176.000 -0.053 0.000 1.083 328 Q CA -0.732 55.034 55.803 -0.062 0.000 0.856 328 Q CB 2.310 31.045 28.738 -0.006 0.000 1.383 328 Q HN 0.210 nan 8.270 nan 0.000 0.458 329 L N 1.796 122.887 121.223 -0.221 0.000 2.705 329 L HA 0.444 4.785 4.340 0.001 0.000 0.260 329 L C -2.057 174.637 176.870 -0.294 0.000 0.921 329 L CA -0.183 54.603 54.840 -0.090 0.000 0.948 329 L CB 1.454 43.490 42.059 -0.038 0.000 1.427 329 L HN 0.652 nan 8.230 nan 0.000 0.432 330 F N 3.860 123.775 119.950 -0.059 0.000 2.458 330 F HA 0.608 5.135 4.527 0.001 0.000 0.336 330 F C 0.275 176.102 175.800 0.046 0.000 1.114 330 F CA -0.558 57.399 58.000 -0.071 0.000 0.987 330 F CB 2.116 41.024 39.000 -0.155 0.000 1.130 330 F HN 0.097 nan 8.300 nan 0.000 0.458 331 V N 3.150 123.240 119.914 0.294 0.000 2.380 331 V HA 0.329 4.450 4.120 0.001 0.000 0.286 331 V C -0.421 175.891 176.094 0.363 0.000 1.015 331 V CA -0.620 61.898 62.300 0.365 0.000 0.834 331 V CB 1.568 33.655 31.823 0.440 0.000 1.009 331 V HN 0.771 nan 8.190 nan 0.000 0.428 332 T N 4.552 119.268 114.554 0.270 0.000 2.837 332 T HA 0.729 5.080 4.350 0.001 0.000 0.285 332 T C -0.295 174.570 174.700 0.274 0.000 0.984 332 T CA -0.387 61.839 62.100 0.210 0.000 1.049 332 T CB 1.819 70.777 68.868 0.149 0.000 0.947 332 T HN 0.335 nan 8.240 nan 0.000 0.472 333 V N 2.866 122.928 119.914 0.247 0.000 2.971 333 V HA 0.679 4.799 4.120 0.001 0.000 0.309 333 V C -0.917 175.294 176.094 0.194 0.000 1.130 333 V CA -0.760 61.715 62.300 0.292 0.000 0.964 333 V CB 2.529 34.576 31.823 0.373 0.000 1.029 333 V HN 0.701 nan 8.190 nan 0.000 0.427 334 V N 2.470 122.496 119.914 0.187 0.000 2.655 334 V HA 0.568 4.689 4.120 0.001 0.000 0.301 334 V C -1.616 174.579 176.094 0.169 0.000 1.082 334 V CA -0.371 61.966 62.300 0.061 0.000 0.899 334 V CB 2.033 33.769 31.823 -0.145 0.000 1.014 334 V HN 0.983 nan 8.190 nan 0.000 0.429 335 D N 2.667 123.136 120.400 0.115 0.000 2.479 335 D HA 0.374 5.015 4.640 0.001 0.000 0.246 335 D C 0.607 176.977 176.300 0.117 0.000 1.336 335 D CA 0.052 54.135 54.000 0.138 0.000 0.967 335 D CB 2.120 42.850 40.800 -0.117 0.000 1.275 335 D HN 0.604 nan 8.370 nan 0.000 0.577 336 T N -0.489 114.148 114.554 0.138 0.000 3.186 336 T HA 0.065 4.416 4.350 0.001 0.000 0.257 336 T C 1.199 175.975 174.700 0.126 0.000 1.029 336 T CA 0.368 62.542 62.100 0.124 0.000 0.916 336 T CB -0.225 68.715 68.868 0.121 0.000 1.041 336 T HN 0.299 nan 8.240 nan 0.000 0.562 337 T N -0.531 114.103 114.554 0.133 0.000 3.188 337 T HA 0.331 4.681 4.350 0.001 0.000 0.250 337 T C 0.948 175.701 174.700 0.089 0.000 1.077 337 T CA -0.564 61.606 62.100 0.116 0.000 0.967 337 T CB -0.259 68.692 68.868 0.137 0.000 1.006 337 T HN 0.407 nan 8.240 nan 0.000 0.552 338 R N 0.553 121.108 120.500 0.090 0.000 2.569 338 R HA 0.190 4.531 4.340 0.001 0.000 0.429 338 R C 0.933 177.324 176.300 0.151 0.000 0.994 338 R CA 0.171 56.312 56.100 0.067 0.000 1.089 338 R CB 0.523 30.826 30.300 0.006 0.000 1.420 338 R HN 0.421 nan 8.270 nan 0.000 0.615 339 S N -0.977 114.837 115.700 0.189 0.000 2.650 339 S HA 0.001 4.472 4.470 0.001 0.000 0.219 339 S C 0.809 175.590 174.600 0.301 0.000 0.960 339 S CA -0.190 58.194 58.200 0.307 0.000 0.925 339 S CB 0.008 63.297 63.200 0.147 0.000 0.775 339 S HN 0.041 nan 8.310 nan 0.000 0.525 340 T N 4.185 118.834 114.554 0.158 0.000 2.849 340 T HA 0.036 4.387 4.350 0.001 0.000 0.289 340 T C 0.065 174.834 174.700 0.115 0.000 1.010 340 T CA 0.515 62.665 62.100 0.083 0.000 1.161 340 T CB -0.232 68.638 68.868 0.003 0.000 0.989 340 T HN 0.535 nan 8.240 nan 0.000 0.523 341 N N 2.729 121.483 118.700 0.090 0.000 2.405 341 N HA 0.558 5.299 4.740 0.001 0.000 0.299 341 N C -0.145 175.345 175.510 -0.034 0.000 1.075 341 N CA -0.826 52.247 53.050 0.038 0.000 0.884 341 N CB 1.202 39.659 38.487 -0.050 0.000 1.194 341 N HN 0.589 nan 8.380 nan 0.000 0.491 342 M N -0.335 119.228 119.600 -0.062 0.000 2.243 342 M HA 0.498 4.979 4.480 0.001 0.000 0.324 342 M C -0.777 175.493 176.300 -0.049 0.000 1.031 342 M CA -0.866 54.403 55.300 -0.052 0.000 0.949 342 M CB 1.574 34.142 32.600 -0.053 0.000 1.615 342 M HN 0.376 nan 8.290 nan 0.000 0.430 343 S N 5.465 121.149 115.700 -0.027 0.000 2.499 343 S HA 0.748 5.219 4.470 0.001 0.000 0.279 343 S C -0.392 174.224 174.600 0.027 0.000 1.219 343 S CA -0.910 57.290 58.200 -0.000 0.000 1.062 343 S CB 0.658 63.863 63.200 0.007 0.000 0.978 343 S HN 0.832 nan 8.310 nan 0.000 0.489 344 L N 1.319 122.584 121.223 0.071 0.000 2.381 344 L HA 0.856 5.196 4.340 0.001 0.000 0.274 344 L C -0.482 176.501 176.870 0.189 0.000 0.988 344 L CA -1.047 53.841 54.840 0.080 0.000 0.824 344 L CB 1.078 43.154 42.059 0.028 0.000 1.263 344 L HN 0.885 nan 8.230 nan 0.000 0.410 345 C N 1.458 120.862 119.300 0.173 0.000 2.507 345 C HA 1.000 5.461 4.460 0.001 0.000 0.319 345 C C 0.411 175.552 174.990 0.252 0.000 1.208 345 C CA -0.214 58.965 59.018 0.269 0.000 1.619 345 C CB 0.847 28.709 27.740 0.203 0.000 2.230 345 C HN 1.163 nan 8.230 nan 0.000 0.492 346 A N 2.636 125.647 122.820 0.319 0.000 2.337 346 A HA 0.879 5.200 4.320 0.001 0.000 0.329 346 A C 0.223 177.979 177.584 0.287 0.000 1.146 346 A CA -0.005 52.182 52.037 0.250 0.000 0.800 346 A CB 0.847 19.949 19.000 0.170 0.000 1.220 346 A HN 2.214 nan 8.150 nan 0.000 0.472 347 A N 1.387 124.355 122.820 0.247 0.000 2.354 347 A HA 0.497 4.818 4.320 0.001 0.000 0.269 347 A C 0.784 178.333 177.584 -0.059 0.000 1.109 347 A CA -0.248 51.818 52.037 0.049 0.000 0.800 347 A CB 0.002 19.044 19.000 0.070 0.000 1.045 347 A HN 1.246 nan 8.150 nan 0.000 0.489 348 I N 1.447 121.906 120.570 -0.185 0.000 2.716 348 I HA 0.042 4.213 4.170 0.001 0.000 0.259 348 I C 0.838 176.883 176.117 -0.119 0.000 1.172 348 I CA 1.284 62.514 61.300 -0.117 0.000 1.478 348 I CB 0.200 38.120 38.000 -0.134 0.000 1.104 348 I HN 0.552 nan 8.210 nan 0.000 0.439 349 S N -1.370 114.221 115.700 -0.180 0.000 2.548 349 S HA 0.375 4.846 4.470 0.001 0.000 0.276 349 S C 0.283 174.815 174.600 -0.113 0.000 1.129 349 S CA -0.126 57.997 58.200 -0.128 0.000 0.931 349 S CB 1.163 64.282 63.200 -0.135 0.000 1.068 349 S HN 0.251 nan 8.310 nan 0.000 0.480 350 T N 1.151 115.677 114.554 -0.047 0.000 3.243 350 T HA 0.354 4.704 4.350 0.001 0.000 0.264 350 T C 0.855 175.554 174.700 -0.002 0.000 1.000 350 T CA -0.245 61.852 62.100 -0.006 0.000 0.901 350 T CB -0.054 68.824 68.868 0.017 0.000 1.083 350 T HN 0.330 nan 8.240 nan 0.000 0.559 351 S N 1.713 117.400 115.700 -0.023 0.000 2.566 351 S HA 0.185 4.655 4.470 0.001 0.000 0.166 351 S C 0.091 174.690 174.600 -0.002 0.000 0.811 351 S CA -0.421 57.772 58.200 -0.012 0.000 0.940 351 S CB -0.372 62.814 63.200 -0.024 0.000 0.768 351 S HN 0.664 nan 8.310 nan 0.000 0.534 352 E N 2.734 122.924 120.200 -0.016 0.000 2.892 352 E HA -0.039 4.312 4.350 0.001 0.000 0.273 352 E C 0.435 177.054 176.600 0.032 0.000 0.921 352 E CA 0.678 57.077 56.400 -0.002 0.000 0.968 352 E CB -0.380 29.306 29.700 -0.023 0.000 0.941 352 E HN 0.561 nan 8.360 nan 0.000 0.492 353 T N -0.744 113.837 114.554 0.044 0.000 3.244 353 T HA 0.156 4.507 4.350 0.001 0.000 0.254 353 T C 0.069 174.822 174.700 0.088 0.000 1.024 353 T CA -0.572 61.568 62.100 0.068 0.000 0.920 353 T CB -0.119 68.780 68.868 0.053 0.000 1.042 353 T HN 0.295 nan 8.240 nan 0.000 0.572 354 T N 1.923 116.531 114.554 0.090 0.000 2.840 354 T HA 0.356 4.706 4.350 0.001 0.000 0.287 354 T C -1.053 173.741 174.700 0.157 0.000 0.991 354 T CA -0.656 61.513 62.100 0.115 0.000 0.964 354 T CB 1.012 69.925 68.868 0.074 0.000 0.954 354 T HN 0.338 nan 8.240 nan 0.000 0.438 355 Y N 3.447 123.820 120.300 0.123 0.000 2.702 355 Y HA 0.221 4.772 4.550 0.002 0.000 0.336 355 Y C 0.316 176.316 175.900 0.168 0.000 1.235 355 Y CA 0.497 58.717 58.100 0.201 0.000 1.492 355 Y CB 0.362 38.902 38.460 0.135 0.000 1.308 355 Y HN 0.457 nan 8.280 nan 0.000 0.589 356 K N 5.113 125.243 120.400 -0.449 0.000 2.581 356 K HA 0.164 4.484 4.320 0.001 0.000 0.249 356 K C -0.112 176.232 176.600 -0.428 0.000 0.966 356 K CA -0.643 55.477 56.287 -0.279 0.000 0.811 356 K CB 1.495 33.884 32.500 -0.185 0.000 1.223 356 K HN 0.686 nan 8.250 nan 0.000 0.438 357 N N 0.212 118.813 118.700 -0.165 0.000 2.348 357 N HA -0.206 4.535 4.740 0.001 0.000 0.185 357 N C 1.753 177.254 175.510 -0.015 0.000 1.019 357 N CA 1.729 54.783 53.050 0.006 0.000 0.880 357 N CB 0.091 38.671 38.487 0.156 0.000 0.965 357 N HN 0.672 nan 8.380 nan 0.000 0.437 358 T N -0.734 113.772 114.554 -0.080 0.000 2.881 358 T HA -0.131 4.220 4.350 0.001 0.000 0.270 358 T C 1.591 176.183 174.700 -0.181 0.000 1.068 358 T CA 1.283 63.325 62.100 -0.096 0.000 1.131 358 T CB -0.290 68.526 68.868 -0.087 0.000 0.871 358 T HN 0.125 nan 8.240 nan 0.000 0.479 359 N N -0.234 118.258 118.700 -0.348 0.000 2.412 359 N HA 0.171 4.911 4.740 0.001 0.000 0.184 359 N C -0.832 174.179 175.510 -0.832 0.000 1.101 359 N CA -0.010 52.669 53.050 -0.618 0.000 0.881 359 N CB -0.102 37.864 38.487 -0.869 0.000 0.969 359 N HN 0.481 nan 8.380 nan 0.000 0.459 360 F N 0.334 120.218 119.950 -0.110 0.000 2.493 360 F HA 0.445 4.973 4.527 0.001 0.000 0.329 360 F C 0.075 175.865 175.800 -0.016 0.000 1.126 360 F CA -1.052 56.926 58.000 -0.036 0.000 0.937 360 F CB 1.700 40.694 39.000 -0.011 0.000 1.146 360 F HN -0.393 nan 8.300 nan 0.000 0.442 361 K N 3.191 123.698 120.400 0.178 0.000 2.262 361 K HA 0.248 4.569 4.320 0.001 0.000 0.282 361 K C -0.409 176.185 176.600 -0.010 0.000 1.066 361 K CA -0.589 55.713 56.287 0.024 0.000 0.901 361 K CB 0.874 33.403 32.500 0.048 0.000 1.089 361 K HN 0.493 nan 8.250 nan 0.000 0.476 362 E N 2.718 122.838 120.200 -0.134 0.000 2.249 362 E HA 0.219 4.570 4.350 0.001 0.000 0.280 362 E C -0.718 175.723 176.600 -0.266 0.000 1.016 362 E CA -0.171 56.194 56.400 -0.058 0.000 0.830 362 E CB 0.994 30.699 29.700 0.008 0.000 1.081 362 E HN 0.349 nan 8.360 nan 0.000 0.395 363 Y N 0.458 120.792 120.300 0.056 0.000 2.698 363 Y HA 0.565 5.116 4.550 0.001 0.000 0.332 363 Y C -0.097 175.783 175.900 -0.032 0.000 1.119 363 Y CA -0.954 57.172 58.100 0.044 0.000 1.109 363 Y CB 1.446 39.934 38.460 0.047 0.000 1.308 363 Y HN 0.243 nan 8.280 nan 0.000 0.499 364 L N 1.872 123.135 121.223 0.067 0.000 2.455 364 L HA 0.657 4.997 4.340 0.001 0.000 0.264 364 L C -0.989 175.701 176.870 -0.300 0.000 0.968 364 L CA -0.862 53.853 54.840 -0.209 0.000 0.827 364 L CB 2.068 43.834 42.059 -0.488 0.000 1.317 364 L HN 0.527 nan 8.230 nan 0.000 0.407 365 R N 1.515 121.888 120.500 -0.211 0.000 2.698 365 R HA 0.504 4.844 4.340 0.001 0.000 0.275 365 R C -1.554 174.696 176.300 -0.084 0.000 1.001 365 R CA -0.843 55.168 56.100 -0.148 0.000 0.896 365 R CB 2.535 32.792 30.300 -0.073 0.000 1.218 365 R HN 0.589 nan 8.270 nan 0.000 0.462 366 H N 0.043 119.028 119.070 -0.141 0.000 2.667 366 H HA 0.550 5.106 4.556 0.001 0.000 0.353 366 H C -1.088 174.225 175.328 -0.024 0.000 1.072 366 H CA -0.364 55.630 56.048 -0.089 0.000 1.214 366 H CB 2.217 31.917 29.762 -0.103 0.000 1.600 366 H HN 0.790 nan 8.280 nan 0.000 0.527 367 G N 2.787 111.334 108.800 -0.421 0.000 2.452 367 G HA2 0.406 4.366 3.960 0.001 0.000 0.324 367 G HA3 0.406 4.366 3.960 0.001 0.000 0.324 367 G C -1.083 173.704 174.900 -0.188 0.000 1.214 367 G CA -0.506 44.487 45.100 -0.178 0.000 0.947 367 G HN 0.532 nan 8.290 nan 0.000 0.478 368 E N 0.029 120.276 120.200 0.079 0.000 2.222 368 E HA 0.448 4.799 4.350 0.001 0.000 0.267 368 E C -0.991 175.715 176.600 0.176 0.000 0.884 368 E CA -0.606 55.895 56.400 0.168 0.000 0.764 368 E CB 2.078 32.023 29.700 0.409 0.000 1.169 368 E HN 0.494 nan 8.360 nan 0.000 0.413 369 E N 3.505 123.718 120.200 0.021 0.000 2.216 369 E HA 0.305 4.656 4.350 0.001 0.000 0.260 369 E C -1.376 175.126 176.600 -0.164 0.000 0.880 369 E CA -0.543 55.862 56.400 0.008 0.000 0.765 369 E CB 0.690 30.362 29.700 -0.046 0.000 1.174 369 E HN 0.442 nan 8.360 nan 0.000 0.417 370 Y N 1.731 121.983 120.300 -0.081 0.000 2.587 370 Y HA 0.442 4.993 4.550 0.001 0.000 0.337 370 Y C -0.478 175.301 175.900 -0.202 0.000 1.065 370 Y CA -0.888 57.100 58.100 -0.185 0.000 1.126 370 Y CB 2.083 40.358 38.460 -0.308 0.000 1.279 370 Y HN 0.527 nan 8.280 nan 0.000 0.489 371 D N 0.974 121.327 120.400 -0.079 0.000 2.312 371 D HA 0.323 4.963 4.640 0.001 0.000 0.229 371 D C -1.927 174.257 176.300 -0.193 0.000 1.337 371 D CA -0.178 53.751 54.000 -0.119 0.000 0.964 371 D CB 0.406 41.154 40.800 -0.086 0.000 1.456 371 D HN 0.419 nan 8.370 nan 0.000 0.547 372 L N 2.580 123.651 121.223 -0.254 0.000 2.350 372 L HA 0.564 4.905 4.340 0.001 0.000 0.275 372 L C 0.140 176.799 176.870 -0.351 0.000 1.099 372 L CA -0.513 54.111 54.840 -0.360 0.000 0.808 372 L CB 1.388 43.262 42.059 -0.308 0.000 1.149 372 L HN 0.379 nan 8.230 nan 0.000 0.442 373 Q N 2.737 122.124 119.800 -0.689 0.000 2.315 373 Q HA 0.674 5.015 4.340 0.001 0.000 0.273 373 Q C -1.654 173.758 176.000 -0.980 0.000 1.053 373 Q CA -0.535 54.922 55.803 -0.577 0.000 0.817 373 Q CB 2.840 31.384 28.738 -0.324 0.000 1.326 373 Q HN 0.326 nan 8.270 nan 0.000 0.423 374 F N 0.897 120.465 119.950 -0.637 0.000 2.613 374 F HA 0.599 5.127 4.527 0.001 0.000 0.314 374 F C -0.683 174.612 175.800 -0.842 0.000 1.075 374 F CA -1.083 56.470 58.000 -0.744 0.000 0.945 374 F CB 1.428 39.876 39.000 -0.920 0.000 1.310 374 F HN 0.293 nan 8.300 nan 0.000 0.467 375 I N 2.554 122.746 120.570 -0.630 0.000 2.410 375 I HA 0.356 4.527 4.170 0.001 0.000 0.286 375 I C -1.117 174.636 176.117 -0.607 0.000 1.009 375 I CA -0.858 60.111 61.300 -0.551 0.000 1.111 375 I CB 1.082 38.722 38.000 -0.600 0.000 1.262 375 I HN 0.399 nan 8.210 nan 0.000 0.443 376 F N 4.028 123.813 119.950 -0.274 0.000 2.480 376 F HA 0.479 5.007 4.527 0.001 0.000 0.329 376 F C 0.569 176.413 175.800 0.073 0.000 1.091 376 F CA -0.626 57.283 58.000 -0.152 0.000 0.972 376 F CB 1.702 40.447 39.000 -0.425 0.000 1.150 376 F HN 0.372 nan 8.300 nan 0.000 0.467 377 Q N 3.184 123.165 119.800 0.301 0.000 2.322 377 Q HA 0.433 4.774 4.340 0.001 0.000 0.265 377 Q C -1.225 174.872 176.000 0.161 0.000 0.985 377 Q CA -1.183 54.639 55.803 0.031 0.000 0.849 377 Q CB 1.775 30.416 28.738 -0.162 0.000 1.274 377 Q HN 0.684 nan 8.270 nan 0.000 0.449 378 L N 3.543 124.803 121.223 0.062 0.000 2.456 378 L HA 0.239 4.579 4.340 0.001 0.000 0.272 378 L C -1.226 175.481 176.870 -0.270 0.000 1.189 378 L CA 0.544 55.253 54.840 -0.218 0.000 0.846 378 L CB 0.711 42.506 42.059 -0.440 0.000 1.111 378 L HN 0.810 nan 8.230 nan 0.000 0.475 379 C N 3.721 122.846 119.300 -0.291 0.000 2.898 379 C HA 0.730 5.190 4.460 0.001 0.000 0.304 379 C C -0.699 174.163 174.990 -0.213 0.000 1.237 379 C CA -1.073 57.820 59.018 -0.209 0.000 1.529 379 C CB 2.136 29.785 27.740 -0.151 0.000 2.021 379 C HN 0.895 nan 8.230 nan 0.000 0.474 380 K N 1.458 121.781 120.400 -0.129 0.000 2.375 380 K HA 0.874 5.194 4.320 0.001 0.000 0.249 380 K C -1.519 175.077 176.600 -0.006 0.000 0.942 380 K CA -0.509 55.717 56.287 -0.102 0.000 0.806 380 K CB 1.317 33.788 32.500 -0.047 0.000 1.227 380 K HN 0.350 nan 8.250 nan 0.000 0.430 381 I N 2.114 122.687 120.570 0.004 0.000 2.439 381 I HA 0.170 4.341 4.170 0.001 0.000 0.283 381 I C -0.558 175.591 176.117 0.053 0.000 1.023 381 I CA -0.774 60.589 61.300 0.104 0.000 1.100 381 I CB 1.181 39.334 38.000 0.255 0.000 1.238 381 I HN 0.691 nan 8.210 nan 0.000 0.445 382 T N 7.010 121.608 114.554 0.074 0.000 2.738 382 T HA 0.297 4.648 4.350 0.001 0.000 0.293 382 T C 1.081 175.819 174.700 0.062 0.000 0.913 382 T CA -0.299 61.829 62.100 0.047 0.000 1.103 382 T CB 0.109 69.003 68.868 0.044 0.000 0.880 382 T HN 0.303 nan 8.240 nan 0.000 0.526 383 L N 4.918 126.167 121.223 0.043 0.000 2.530 383 L HA 0.088 4.428 4.340 0.001 0.000 0.247 383 L C 1.796 178.698 176.870 0.052 0.000 1.416 383 L CA -0.563 54.318 54.840 0.068 0.000 1.202 383 L CB -1.497 40.601 42.059 0.064 0.000 1.415 383 L HN 0.761 nan 8.230 nan 0.000 0.443 384 T N -2.660 111.924 114.554 0.050 0.000 2.689 384 T HA 0.342 4.693 4.350 0.001 0.000 0.308 384 T C 1.444 176.164 174.700 0.033 0.000 1.021 384 T CA 0.007 62.127 62.100 0.034 0.000 0.973 384 T CB 1.350 70.236 68.868 0.031 0.000 1.113 384 T HN 0.303 nan 8.240 nan 0.000 0.522 385 A N 0.893 123.727 122.820 0.023 0.000 1.835 385 A HA -0.038 4.282 4.320 0.001 0.000 0.215 385 A C 1.943 179.541 177.584 0.023 0.000 1.199 385 A CA 2.013 54.061 52.037 0.018 0.000 0.615 385 A CB -1.532 17.475 19.000 0.011 0.000 0.838 385 A HN 0.958 nan 8.150 nan 0.000 0.444 386 D N -0.132 120.281 120.400 0.023 0.000 2.116 386 D HA -0.146 4.495 4.640 0.001 0.000 0.193 386 D C 1.779 178.095 176.300 0.026 0.000 0.998 386 D CA 1.658 55.674 54.000 0.027 0.000 0.836 386 D CB -0.459 40.352 40.800 0.018 0.000 0.951 386 D HN 0.199 nan 8.370 nan 0.000 0.449 387 V N 0.599 120.518 119.914 0.009 0.000 2.287 387 V HA -0.282 3.839 4.120 0.001 0.000 0.248 387 V C 2.350 178.462 176.094 0.030 0.000 1.053 387 V CA 1.588 63.877 62.300 -0.019 0.000 1.027 387 V CB -0.461 31.381 31.823 0.031 0.000 0.646 387 V HN 0.297 nan 8.190 nan 0.000 0.447 388 M N -0.412 119.223 119.600 0.058 0.000 2.229 388 M HA -0.147 4.334 4.480 0.001 0.000 0.264 388 M C 2.211 178.554 176.300 0.072 0.000 1.063 388 M CA 1.883 57.229 55.300 0.075 0.000 1.114 388 M CB -0.734 31.905 32.600 0.065 0.000 1.387 388 M HN 0.468 nan 8.290 nan 0.000 0.420 389 T N -0.499 114.090 114.554 0.058 0.000 2.701 389 T HA -0.189 4.162 4.350 0.001 0.000 0.263 389 T C 1.553 176.308 174.700 0.091 0.000 1.040 389 T CA 1.279 63.416 62.100 0.062 0.000 1.147 389 T CB -0.587 68.309 68.868 0.047 0.000 0.865 389 T HN 0.371 nan 8.240 nan 0.000 0.426 390 Y N 1.621 121.879 120.300 -0.071 0.000 2.049 390 Y HA -0.182 4.368 4.550 0.001 0.000 0.277 390 Y C 2.091 177.866 175.900 -0.208 0.000 1.143 390 Y CA 1.225 59.246 58.100 -0.131 0.000 1.115 390 Y CB -0.464 37.858 38.460 -0.231 0.000 0.975 390 Y HN 0.014 nan 8.280 nan 0.000 0.487 391 I N 0.223 120.796 120.570 0.005 0.000 2.335 391 I HA -0.336 3.835 4.170 0.001 0.000 0.251 391 I C 2.606 178.567 176.117 -0.259 0.000 1.129 391 I CA 1.818 62.992 61.300 -0.210 0.000 1.402 391 I CB -1.151 36.747 38.000 -0.171 0.000 1.069 391 I HN 0.461 nan 8.210 nan 0.000 0.424 392 H N 0.303 119.263 119.070 -0.184 0.000 2.326 392 H HA -0.098 4.459 4.556 0.001 0.000 0.301 392 H C 2.218 177.431 175.328 -0.191 0.000 1.081 392 H CA 1.887 57.837 56.048 -0.163 0.000 1.334 392 H CB 0.262 29.969 29.762 -0.090 0.000 1.385 392 H HN 0.264 nan 8.280 nan 0.000 0.504 393 S N 1.159 116.747 115.700 -0.187 0.000 2.348 393 S HA -0.197 4.273 4.470 0.001 0.000 0.221 393 S C 2.385 176.785 174.600 -0.334 0.000 1.033 393 S CA 1.430 59.501 58.200 -0.214 0.000 1.010 393 S CB -0.451 62.670 63.200 -0.132 0.000 0.891 393 S HN 0.430 nan 8.310 nan 0.000 0.442 394 M N 1.260 120.560 119.600 -0.501 0.000 2.110 394 M HA -0.167 4.313 4.480 0.001 0.000 0.257 394 M C 0.571 176.503 176.300 -0.613 0.000 1.071 394 M CA 1.710 56.520 55.300 -0.818 0.000 1.096 394 M CB -0.075 31.842 32.600 -1.139 0.000 1.300 394 M HN 0.345 nan 8.290 nan 0.000 0.411 395 N N -0.693 117.675 118.700 -0.553 0.000 2.839 395 N HA 0.118 4.858 4.740 0.001 0.000 0.230 395 N C -0.090 175.172 175.510 -0.415 0.000 1.388 395 N CA -0.139 52.647 53.050 -0.440 0.000 0.747 395 N CB 0.793 39.017 38.487 -0.439 0.000 1.411 395 N HN 0.091 nan 8.380 nan 0.000 0.556 396 S N -0.015 115.421 115.700 -0.441 0.000 2.414 396 S HA -0.282 4.189 4.470 0.001 0.000 0.241 396 S C 2.159 176.615 174.600 -0.240 0.000 1.079 396 S CA 2.549 60.506 58.200 -0.404 0.000 1.087 396 S CB -0.464 62.464 63.200 -0.453 0.000 0.927 396 S HN 0.868 nan 8.310 nan 0.000 0.456 397 T N 0.765 115.189 114.554 -0.216 0.000 2.822 397 T HA -0.085 4.265 4.350 0.001 0.000 0.270 397 T C 1.600 176.159 174.700 -0.235 0.000 1.064 397 T CA 1.297 63.298 62.100 -0.166 0.000 1.131 397 T CB -0.798 67.998 68.868 -0.121 0.000 0.858 397 T HN 0.437 nan 8.240 nan 0.000 0.483 398 I N 1.044 121.398 120.570 -0.359 0.000 2.091 398 I HA -0.184 3.987 4.170 0.001 0.000 0.239 398 I C 2.662 178.385 176.117 -0.657 0.000 1.061 398 I CA 1.761 62.699 61.300 -0.604 0.000 1.317 398 I CB -0.518 37.029 38.000 -0.756 0.000 1.031 398 I HN 0.261 nan 8.210 nan 0.000 0.401 399 L N 0.249 121.268 121.223 -0.341 0.000 2.056 399 L HA -0.186 4.154 4.340 0.001 0.000 0.207 399 L C 2.559 179.457 176.870 0.047 0.000 1.078 399 L CA 1.386 56.212 54.840 -0.023 0.000 0.749 399 L CB -0.720 41.386 42.059 0.078 0.000 0.901 399 L HN 0.273 nan 8.230 nan 0.000 0.433 400 E N 0.168 120.359 120.200 -0.015 0.000 2.077 400 E HA -0.222 4.129 4.350 0.001 0.000 0.193 400 E C 1.605 178.225 176.600 0.034 0.000 0.989 400 E CA 1.330 57.742 56.400 0.020 0.000 0.800 400 E CB -0.168 29.529 29.700 -0.006 0.000 0.746 400 E HN 0.523 nan 8.360 nan 0.000 0.452 401 D N -0.225 120.161 120.400 -0.023 0.000 2.224 401 D HA -0.100 4.541 4.640 0.001 0.000 0.205 401 D C 1.030 177.421 176.300 0.151 0.000 0.965 401 D CA 0.451 54.460 54.000 0.015 0.000 0.852 401 D CB -0.022 40.742 40.800 -0.059 0.000 0.947 401 D HN 0.090 nan 8.370 nan 0.000 0.494 402 W N 1.872 123.201 121.300 0.048 0.000 1.529 402 W HA -0.020 4.640 4.660 0.001 0.000 0.384 402 W C 1.571 178.117 176.519 0.044 0.000 1.845 402 W CA -0.592 56.785 57.345 0.053 0.000 2.049 402 W CB -1.292 28.205 29.460 0.062 0.000 1.633 402 W HN -0.098 nan 8.180 nan 0.000 0.881 439 D N 5.098 125.534 120.400 0.059 0.000 2.426 439 D HA 0.036 4.677 4.640 0.001 0.000 0.261 439 D C -1.086 175.279 176.300 0.108 0.000 1.245 439 D CA -1.285 52.775 54.000 0.100 0.000 0.917 439 D CB 1.134 42.010 40.800 0.126 0.000 1.123 439 D HN 0.255 nan 8.370 nan 0.000 0.508 440 P HA -0.057 nan 4.420 nan 0.000 0.234 440 P C 0.061 177.469 177.300 0.179 0.000 1.167 440 P CA 0.487 63.657 63.100 0.117 0.000 0.763 440 P CB 0.201 31.960 31.700 0.099 0.000 0.835 441 L N -0.675 120.704 121.223 0.261 0.000 3.186 441 L HA 0.347 4.687 4.340 0.001 0.000 0.292 441 L C 1.865 178.913 176.870 0.296 0.000 1.303 441 L CA -0.029 55.067 54.840 0.426 0.000 0.940 441 L CB 0.163 42.624 42.059 0.671 0.000 1.358 441 L HN -0.263 nan 8.230 nan 0.000 0.581 442 K N 0.905 121.378 120.400 0.121 0.000 2.209 442 K HA -0.098 4.222 4.320 0.001 0.000 0.204 442 K C 1.545 178.106 176.600 -0.064 0.000 1.048 442 K CA 1.097 57.416 56.287 0.053 0.000 0.940 442 K CB 0.304 32.817 32.500 0.021 0.000 0.729 442 K HN 0.368 nan 8.250 nan 0.000 0.451 443 K N -0.100 120.171 120.400 -0.214 0.000 2.147 443 K HA -0.117 4.204 4.320 0.001 0.000 0.205 443 K C 0.353 176.681 176.600 -0.453 0.000 1.049 443 K CA 1.011 57.056 56.287 -0.404 0.000 0.936 443 K CB -0.108 31.991 32.500 -0.669 0.000 0.722 443 K HN 0.146 nan 8.250 nan 0.000 0.446 444 Y N 0.958 121.165 120.300 -0.154 0.000 2.335 444 Y HA 0.134 4.685 4.550 0.001 0.000 0.323 444 Y C 0.845 176.379 175.900 -0.611 0.000 1.224 444 Y CA -0.880 56.994 58.100 -0.376 0.000 1.241 444 Y CB 1.091 39.297 38.460 -0.423 0.000 1.235 444 Y HN -0.116 nan 8.280 nan 0.000 0.492 445 T N 0.017 114.241 114.554 -0.551 0.000 2.824 445 T HA 0.801 5.152 4.350 0.001 0.000 0.282 445 T C -1.134 173.215 174.700 -0.585 0.000 0.993 445 T CA -0.698 61.111 62.100 -0.484 0.000 0.967 445 T CB 0.413 69.170 68.868 -0.185 0.000 0.960 445 T HN 0.395 nan 8.240 nan 0.000 0.441 446 F N -0.111 119.920 119.950 0.136 0.000 2.643 446 F HA 0.571 5.099 4.527 0.001 0.000 0.314 446 F C -0.468 175.436 175.800 0.174 0.000 1.096 446 F CA -2.065 56.020 58.000 0.141 0.000 0.953 446 F CB 0.893 40.009 39.000 0.194 0.000 1.345 446 F HN 0.623 nan 8.300 nan 0.000 0.468 447 W N 3.817 125.227 121.300 0.183 0.000 2.655 447 W HA 0.181 4.842 4.660 0.001 0.000 0.333 447 W C -0.363 176.283 176.519 0.211 0.000 1.382 447 W CA -0.059 57.376 57.345 0.150 0.000 1.398 447 W CB 0.078 29.587 29.460 0.081 0.000 1.481 447 W HN 0.472 nan 8.180 nan 0.000 0.526 448 E N 4.089 124.599 120.200 0.517 0.000 2.290 448 E HA 0.172 4.522 4.350 0.001 0.000 0.277 448 E C -0.633 176.242 176.600 0.457 0.000 1.035 448 E CA -0.219 56.433 56.400 0.420 0.000 0.873 448 E CB 1.812 31.718 29.700 0.343 0.000 1.029 448 E HN 0.134 nan 8.360 nan 0.000 0.419 449 V N 4.440 124.524 119.914 0.283 0.000 2.443 449 V HA 0.182 4.302 4.120 0.001 0.000 0.293 449 V C 0.078 176.267 176.094 0.158 0.000 1.021 449 V CA -0.935 61.480 62.300 0.193 0.000 0.848 449 V CB 1.698 33.550 31.823 0.049 0.000 0.998 449 V HN 0.498 nan 8.190 nan 0.000 0.424 450 N N 4.722 123.525 118.700 0.171 0.000 2.426 450 N HA 0.426 5.167 4.740 0.001 0.000 0.257 450 N C 0.050 175.606 175.510 0.077 0.000 1.002 450 N CA -0.293 52.841 53.050 0.139 0.000 0.942 450 N CB 1.726 40.280 38.487 0.112 0.000 1.112 450 N HN 0.658 nan 8.380 nan 0.000 0.499 451 L N 3.385 124.632 121.223 0.040 0.000 2.808 451 L HA 0.195 4.535 4.340 0.001 0.000 0.246 451 L C 1.628 178.519 176.870 0.036 0.000 1.153 451 L CA -0.017 54.854 54.840 0.053 0.000 0.956 451 L CB 0.270 42.354 42.059 0.041 0.000 1.270 451 L HN 0.363 nan 8.230 nan 0.000 0.528 452 K N 0.792 121.174 120.400 -0.031 0.000 2.211 452 K HA -0.188 4.132 4.320 0.001 0.000 0.204 452 K C 1.087 177.691 176.600 0.006 0.000 1.047 452 K CA 1.319 57.553 56.287 -0.089 0.000 0.935 452 K CB 0.070 32.541 32.500 -0.048 0.000 0.728 452 K HN 0.184 nan 8.250 nan 0.000 0.452 453 E N -0.286 119.956 120.200 0.070 0.000 2.501 453 E HA 0.056 4.406 4.350 0.001 0.000 0.200 453 E C 0.414 177.112 176.600 0.163 0.000 1.016 453 E CA -0.005 56.462 56.400 0.111 0.000 0.921 453 E CB 0.629 30.379 29.700 0.084 0.000 1.034 453 E HN 0.002 nan 8.360 nan 0.000 0.468 454 K N -0.248 120.277 120.400 0.208 0.000 2.358 454 K HA 0.167 4.488 4.320 0.001 0.000 0.200 454 K C -0.322 176.436 176.600 0.263 0.000 1.030 454 K CA -0.081 56.333 56.287 0.212 0.000 1.097 454 K CB 0.381 32.965 32.500 0.139 0.000 0.862 454 K HN 0.021 nan 8.250 nan 0.000 0.534 455 F N 1.439 121.404 119.950 0.025 0.000 2.484 455 F HA 0.164 4.691 4.527 0.001 0.000 0.360 455 F C 0.954 176.928 175.800 0.291 0.000 1.101 455 F CA -0.337 57.709 58.000 0.077 0.000 1.251 455 F CB 0.960 39.900 39.000 -0.099 0.000 1.132 455 F HN -0.270 nan 8.300 nan 0.000 0.570 456 S N 1.597 117.517 115.700 0.367 0.000 2.547 456 S HA 0.674 5.145 4.470 0.001 0.000 0.281 456 S C 0.272 174.892 174.600 0.034 0.000 1.118 456 S CA -0.201 58.174 58.200 0.292 0.000 0.947 456 S CB 1.475 64.842 63.200 0.279 0.000 1.053 456 S HN 0.743 nan 8.310 nan 0.000 0.482 457 A N 2.624 125.352 122.820 -0.153 0.000 2.169 457 A HA 0.201 4.522 4.320 0.001 0.000 0.212 457 A C 0.252 177.773 177.584 -0.106 0.000 1.153 457 A CA 0.465 52.222 52.037 -0.467 0.000 0.756 457 A CB -0.169 18.592 19.000 -0.398 0.000 0.813 457 A HN 0.798 nan 8.150 nan 0.000 0.471 458 D N 1.064 121.501 120.400 0.061 0.000 2.563 458 D HA 0.277 4.917 4.640 0.001 0.000 0.222 458 D C 1.128 177.548 176.300 0.200 0.000 1.145 458 D CA -0.157 53.907 54.000 0.106 0.000 1.001 458 D CB 0.574 41.428 40.800 0.090 0.000 1.049 458 D HN 0.329 nan 8.370 nan 0.000 0.515 459 L N 0.106 121.421 121.223 0.154 0.000 2.081 459 L HA -0.224 4.117 4.340 0.001 0.000 0.212 459 L C 2.109 179.085 176.870 0.177 0.000 1.080 459 L CA 0.988 55.949 54.840 0.202 0.000 0.754 459 L CB -0.347 41.808 42.059 0.160 0.000 0.893 459 L HN 0.181 nan 8.230 nan 0.000 0.433 460 D N 0.270 120.721 120.400 0.084 0.000 2.170 460 D HA -0.228 4.412 4.640 0.001 0.000 0.193 460 D C 2.086 178.347 176.300 -0.066 0.000 1.004 460 D CA 1.385 55.391 54.000 0.011 0.000 0.860 460 D CB 0.016 40.811 40.800 -0.007 0.000 0.931 460 D HN 0.263 nan 8.370 nan 0.000 0.448 461 Q N -0.962 118.743 119.800 -0.158 0.000 2.515 461 Q HA 0.043 4.384 4.340 0.001 0.000 0.212 461 Q C -0.269 175.197 176.000 -0.890 0.000 0.970 461 Q CA 0.341 55.846 55.803 -0.496 0.000 0.941 461 Q CB -0.095 28.259 28.738 -0.639 0.000 0.998 461 Q HN 0.330 nan 8.270 nan 0.000 0.518 462 F N -0.132 119.693 119.950 -0.209 0.000 2.577 462 F HA 0.304 4.831 4.527 0.001 0.000 0.318 462 F C -1.470 174.249 175.800 -0.135 0.000 1.065 462 F CA -2.544 55.289 58.000 -0.278 0.000 0.929 462 F CB 1.347 39.888 39.000 -0.765 0.000 1.237 462 F HN -0.271 nan 8.300 nan 0.000 0.468 463 P HA -0.151 nan 4.420 nan 0.000 0.216 463 P C 1.805 179.171 177.300 0.111 0.000 1.153 463 P CA 1.400 64.540 63.100 0.067 0.000 0.848 463 P CB 0.729 32.453 31.700 0.040 0.000 0.787 464 L N -0.502 120.815 121.223 0.156 0.000 2.093 464 L HA -0.036 4.305 4.340 0.001 0.000 0.208 464 L C 2.529 179.563 176.870 0.273 0.000 1.085 464 L CA 1.971 56.911 54.840 0.167 0.000 0.755 464 L CB -1.236 40.885 42.059 0.102 0.000 0.904 464 L HN 0.026 nan 8.230 nan 0.000 0.435 465 G N -0.364 108.601 108.800 0.275 0.000 2.418 465 G HA2 -0.265 3.695 3.960 0.001 0.000 0.217 465 G HA3 -0.265 3.695 3.960 0.001 0.000 0.217 465 G C 1.631 176.660 174.900 0.215 0.000 1.158 465 G CA 0.481 45.736 45.100 0.260 0.000 0.771 465 G HN 0.309 nan 8.290 nan 0.000 0.545 466 R N 0.401 120.985 120.500 0.140 0.000 2.083 466 R HA -0.018 4.323 4.340 0.001 0.000 0.237 466 R C 2.685 179.037 176.300 0.087 0.000 1.137 466 R CA 1.523 57.669 56.100 0.077 0.000 0.951 466 R CB -0.265 30.058 30.300 0.038 0.000 0.851 466 R HN 0.280 nan 8.270 nan 0.000 0.434 467 K N -0.168 120.324 120.400 0.154 0.000 2.074 467 K HA -0.210 4.110 4.320 0.001 0.000 0.209 467 K C 1.943 178.651 176.600 0.179 0.000 1.048 467 K CA 1.692 58.104 56.287 0.207 0.000 0.926 467 K CB -0.330 32.363 32.500 0.322 0.000 0.713 467 K HN 0.092 nan 8.250 nan 0.000 0.444 468 F N 1.940 121.936 119.950 0.078 0.000 2.075 468 F HA -0.185 4.343 4.527 0.001 0.000 0.297 468 F C 1.830 177.417 175.800 -0.355 0.000 1.113 468 F CA 1.351 59.172 58.000 -0.298 0.000 1.218 468 F CB -0.380 38.545 39.000 -0.126 0.000 0.984 468 F HN -0.111 nan 8.300 nan 0.000 0.472 469 L N -0.379 120.672 121.223 -0.286 0.000 1.989 469 L HA -0.244 4.096 4.340 0.001 0.000 0.211 469 L C 2.496 179.141 176.870 -0.376 0.000 1.071 469 L CA 1.309 55.919 54.840 -0.383 0.000 0.749 469 L CB -1.083 40.892 42.059 -0.141 0.000 0.890 469 L HN 0.286 nan 8.230 nan 0.000 0.431 470 L N -0.273 120.811 121.223 -0.231 0.000 2.013 470 L HA -0.274 4.067 4.340 0.001 0.000 0.212 470 L C 2.628 179.339 176.870 -0.266 0.000 1.073 470 L CA 1.854 56.581 54.840 -0.188 0.000 0.753 470 L CB -0.895 41.106 42.059 -0.096 0.000 0.890 470 L HN 0.347 nan 8.230 nan 0.000 0.432 471 Q N -0.894 118.685 119.800 -0.368 0.000 2.020 471 Q HA -0.181 4.160 4.340 0.001 0.000 0.202 471 Q C 1.896 177.560 176.000 -0.560 0.000 0.982 471 Q CA 1.438 56.959 55.803 -0.470 0.000 0.838 471 Q CB -0.329 27.966 28.738 -0.739 0.000 0.899 471 Q HN 0.455 nan 8.270 nan 0.000 0.423 472 L N 0.482 121.226 121.223 -0.798 0.000 2.627 472 L HA 0.029 4.370 4.340 0.001 0.000 0.233 472 L C 1.482 178.074 176.870 -0.464 0.000 1.144 472 L CA 1.397 55.816 54.840 -0.702 0.000 0.892 472 L CB -1.300 40.119 42.059 -1.066 0.000 1.039 472 L HN 0.510 nan 8.230 nan 0.000 0.442 473 G N 1.011 109.586 108.800 -0.376 0.000 4.011 473 G HA2 -0.394 3.567 3.960 0.001 0.000 0.348 473 G HA3 -0.394 3.567 3.960 0.001 0.000 0.348 473 G C 0.599 175.357 174.900 -0.236 0.000 1.310 473 G CA 0.926 45.876 45.100 -0.251 0.000 1.056 473 G HN 0.447 nan 8.290 nan 0.000 0.728 474 L N 0.000 121.100 121.223 -0.205 0.000 2.949 474 L HA 0.000 4.341 4.340 0.001 0.000 0.249 474 L CA 0.000 54.746 54.840 -0.157 0.000 0.813 474 L CB 0.000 42.002 42.059 -0.095 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502