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 2zvd_1_A DATA FIRST_RESID 2 DATA SEQUENCE GVYDYKNFGT ADSKALFSDA MAITLYSYHN LDNGFAAGYQ HNGFGLGLPA DATA SEQUENCE TLVTALLGGT DSQGVIPGIP WNPDSEKLAL DAVKKAGWTP ITASQLGYDG DATA SEQUENCE KTDARGTFFG EKAGYTTAQV EILGKYDAQG HLTEIGIAFR GTSGPRENLI DATA SEQUENCE LDSIGDVIND LLAAFGPKDY AKNYVGEAFG NLLNDVVAFA KANGLSGKDV DATA SEQUENCE LVSGHSLGGL AVNSMADLSG GKWGGFFADS NYIAYASPTQ SSTDKVLNVG DATA SEQUENCE YENDPVFRAL DGSTFTGASV GVHDAPKESA TDNIVSFNDH YASTAWNLLP DATA SEQUENCE FSILNIPTWI SHLPTAYGDG MNRIIESKFY DLTSKDSTII VANLSDPARA DATA SEQUENCE NTWVQDLNRN AETHKGSTFI IGSDSNDLIQ GGSGNDYLEG RAGNDTFRDG DATA SEQUENCE GGYNVILGGA GNNTLDLQKS VNTFDFANDG AGNLYVRDAN GGISITRDIG DATA SEQUENCE SIVTKEPXXX XXXXXDDVTH SVTASGLKVG SNVTQYDASV KGTNGADTLK DATA SEQUENCE AHAGGDWLFG LDGNDHLIGG VGNDVFVGGA GNDLMESGGG ADTFLFNGAF DATA SEQUENCE GQDRVVGFTS NDKLVFLGVQ GVLPNDDFRA HASMVGQDTV LKFGGDSVTL DATA SEQUENCE VGVALNSLSA DGIVIA 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 2 G C 0.000 174.588 174.900 -0.520 0.000 0.946 2 G CA 0.000 44.674 45.100 -0.709 0.000 0.502 3 V N 1.117 120.561 119.914 -0.783 0.000 2.469 3 V HA -0.122 3.999 4.120 0.003 0.000 0.251 3 V C 1.552 177.438 176.094 -0.346 0.000 1.064 3 V CA 1.795 63.751 62.300 -0.574 0.000 1.066 3 V CB -0.589 30.777 31.823 -0.761 0.000 0.667 3 V HN 0.667 nan 8.190 nan 0.000 0.461 4 Y N 0.134 120.442 120.300 0.013 0.000 2.532 4 Y HA 0.385 4.937 4.550 0.003 0.000 0.283 4 Y C 0.671 176.685 175.900 0.191 0.000 1.181 4 Y CA -1.705 56.444 58.100 0.081 0.000 1.256 4 Y CB -0.922 37.477 38.460 -0.100 0.000 1.112 4 Y HN 0.261 nan 8.280 nan 0.000 0.521 5 D N 0.687 121.242 120.400 0.259 0.000 2.525 5 D HA -0.100 4.542 4.640 0.003 0.000 0.235 5 D C -0.724 175.791 176.300 0.357 0.000 1.137 5 D CA 1.025 55.184 54.000 0.266 0.000 0.868 5 D CB 0.328 41.214 40.800 0.145 0.000 1.180 5 D HN 0.207 nan 8.370 nan 0.000 0.465 6 Y N 2.523 122.971 120.300 0.246 0.000 2.386 6 Y HA 0.194 4.746 4.550 0.003 0.000 0.334 6 Y C 0.728 176.823 175.900 0.326 0.000 1.002 6 Y CA -0.805 57.462 58.100 0.278 0.000 1.068 6 Y CB 0.863 39.497 38.460 0.290 0.000 1.203 6 Y HN 0.427 nan 8.280 nan 0.000 0.443 7 K N 2.321 122.530 120.400 -0.319 0.000 1.721 7 K HA -0.419 3.902 4.320 0.003 0.000 0.121 7 K C 0.019 176.509 176.600 -0.183 0.000 1.152 7 K CA 2.252 58.334 56.287 -0.341 0.000 0.360 7 K CB -0.902 31.283 32.500 -0.526 0.000 0.626 7 K HN 0.913 nan 8.250 nan 0.000 0.878 8 N N -0.286 118.220 118.700 -0.324 0.000 2.177 8 N HA 0.192 4.933 4.740 0.003 0.000 0.218 8 N C -0.591 174.785 175.510 -0.223 0.000 1.182 8 N CA -0.466 52.433 53.050 -0.251 0.000 0.882 8 N CB 0.266 38.581 38.487 -0.286 0.000 1.052 8 N HN 0.078 nan 8.380 nan 0.000 0.519 9 F N 1.530 121.493 119.950 0.021 0.000 2.586 9 F HA 0.130 4.659 4.527 0.003 0.000 0.344 9 F C 1.902 177.743 175.800 0.069 0.000 1.188 9 F CA -0.213 57.825 58.000 0.063 0.000 1.359 9 F CB 0.065 39.138 39.000 0.122 0.000 1.129 9 F HN -0.095 nan 8.300 nan 0.000 0.609 10 G N 0.735 109.692 108.800 0.261 0.000 2.683 10 G HA2 0.184 4.146 3.960 0.003 0.000 0.260 10 G HA3 0.184 4.146 3.960 0.003 0.000 0.260 10 G C 0.848 175.867 174.900 0.198 0.000 1.238 10 G CA -0.190 45.013 45.100 0.172 0.000 0.934 10 G HN 0.664 nan 8.290 nan 0.000 0.534 11 T N 0.956 115.608 114.554 0.162 0.000 2.624 11 T HA -0.229 4.122 4.350 0.003 0.000 0.268 11 T C 2.779 177.590 174.700 0.184 0.000 1.041 11 T CA 2.338 64.557 62.100 0.198 0.000 1.159 11 T CB -0.447 68.529 68.868 0.180 0.000 0.863 11 T HN 0.656 nan 8.240 nan 0.000 0.434 12 A N 1.503 124.401 122.820 0.130 0.000 1.898 12 A HA -0.105 4.217 4.320 0.003 0.000 0.216 12 A C 2.139 179.772 177.584 0.081 0.000 1.181 12 A CA 1.640 53.727 52.037 0.083 0.000 0.620 12 A CB -0.562 18.476 19.000 0.063 0.000 0.819 12 A HN 0.343 nan 8.150 nan 0.000 0.442 13 D N -0.251 120.220 120.400 0.118 0.000 2.144 13 D HA -0.051 4.590 4.640 0.003 0.000 0.200 13 D C 2.266 178.600 176.300 0.058 0.000 0.978 13 D CA 1.428 55.487 54.000 0.098 0.000 0.833 13 D CB -0.241 40.684 40.800 0.209 0.000 0.961 13 D HN 0.347 nan 8.370 nan 0.000 0.470 14 S N 0.354 116.156 115.700 0.170 0.000 2.368 14 S HA -0.119 4.352 4.470 0.003 0.000 0.225 14 S C 1.796 176.501 174.600 0.174 0.000 1.030 14 S CA 0.913 59.237 58.200 0.206 0.000 0.999 14 S CB 0.031 63.427 63.200 0.327 0.000 0.844 14 S HN 0.267 nan 8.310 nan 0.000 0.459 15 K N 1.373 121.851 120.400 0.130 0.000 2.057 15 K HA -0.034 4.288 4.320 0.003 0.000 0.207 15 K C 2.411 179.061 176.600 0.084 0.000 1.049 15 K CA 1.246 57.568 56.287 0.057 0.000 0.931 15 K CB -0.334 32.099 32.500 -0.111 0.000 0.714 15 K HN 0.329 nan 8.250 nan 0.000 0.440 16 A N 1.241 124.086 122.820 0.042 0.000 1.902 16 A HA -0.161 4.161 4.320 0.003 0.000 0.217 16 A C 2.055 179.654 177.584 0.025 0.000 1.181 16 A CA 1.164 53.215 52.037 0.024 0.000 0.623 16 A CB -0.519 18.479 19.000 -0.003 0.000 0.818 16 A HN 0.125 nan 8.150 nan 0.000 0.443 17 L N -1.529 119.684 121.223 -0.016 0.000 2.012 17 L HA -0.133 4.209 4.340 0.003 0.000 0.210 17 L C 2.271 179.126 176.870 -0.026 0.000 1.073 17 L CA 1.996 56.797 54.840 -0.065 0.000 0.748 17 L CB -1.251 40.708 42.059 -0.166 0.000 0.891 17 L HN 0.521 nan 8.230 nan 0.000 0.431 18 F N -0.263 119.628 119.950 -0.099 0.000 2.095 18 F HA -0.279 4.250 4.527 0.003 0.000 0.298 18 F C 2.549 178.309 175.800 -0.067 0.000 1.104 18 F CA 1.980 59.913 58.000 -0.111 0.000 1.232 18 F CB -0.224 38.690 39.000 -0.142 0.000 0.987 18 F HN 0.064 nan 8.300 nan 0.000 0.475 19 S N 0.070 115.856 115.700 0.142 0.000 2.383 19 S HA -0.193 4.278 4.470 0.003 0.000 0.227 19 S C 1.583 176.169 174.600 -0.023 0.000 1.026 19 S CA 1.286 59.520 58.200 0.056 0.000 0.981 19 S CB -0.483 62.776 63.200 0.099 0.000 0.818 19 S HN 0.449 nan 8.310 nan 0.000 0.472 20 D N 1.939 122.360 120.400 0.034 0.000 2.104 20 D HA -0.045 4.596 4.640 0.003 0.000 0.194 20 D C 2.214 178.437 176.300 -0.128 0.000 0.994 20 D CA 1.318 55.381 54.000 0.105 0.000 0.830 20 D CB -0.508 40.469 40.800 0.295 0.000 0.959 20 D HN 0.377 nan 8.370 nan 0.000 0.452 21 A N 0.798 123.502 122.820 -0.193 0.000 1.883 21 A HA -0.226 4.096 4.320 0.003 0.000 0.217 21 A C 2.179 179.632 177.584 -0.218 0.000 1.186 21 A CA 2.141 54.039 52.037 -0.231 0.000 0.624 21 A CB -0.591 18.262 19.000 -0.246 0.000 0.822 21 A HN 0.194 nan 8.150 nan 0.000 0.444 22 M N 0.103 119.487 119.600 -0.360 0.000 2.117 22 M HA -0.018 4.464 4.480 0.003 0.000 0.262 22 M C 2.157 178.261 176.300 -0.327 0.000 1.065 22 M CA 1.743 56.729 55.300 -0.523 0.000 1.114 22 M CB -0.657 31.584 32.600 -0.598 0.000 1.361 22 M HN 0.383 nan 8.290 nan 0.000 0.408 23 A N 0.519 123.207 122.820 -0.220 0.000 1.877 23 A HA -0.126 4.196 4.320 0.003 0.000 0.216 23 A C 2.181 179.651 177.584 -0.189 0.000 1.186 23 A CA 1.993 53.945 52.037 -0.142 0.000 0.620 23 A CB -1.403 17.581 19.000 -0.026 0.000 0.822 23 A HN 0.784 nan 8.150 nan 0.000 0.443 24 I N -3.072 117.307 120.570 -0.319 0.000 2.315 24 I HA -0.133 4.039 4.170 0.003 0.000 0.248 24 I C 2.085 178.049 176.117 -0.256 0.000 1.117 24 I CA 2.108 63.185 61.300 -0.372 0.000 1.404 24 I CB -1.080 36.516 38.000 -0.674 0.000 1.071 24 I HN 0.125 nan 8.210 nan 0.000 0.419 25 T N 2.472 116.875 114.554 -0.253 0.000 2.708 25 T HA -0.044 4.308 4.350 0.003 0.000 0.266 25 T C 2.016 176.594 174.700 -0.203 0.000 1.037 25 T CA 1.850 63.816 62.100 -0.223 0.000 1.146 25 T CB -0.382 68.359 68.868 -0.212 0.000 0.865 25 T HN 0.340 nan 8.240 nan 0.000 0.435 26 L N -0.297 120.815 121.223 -0.186 0.000 2.046 26 L HA -0.103 4.239 4.340 0.003 0.000 0.208 26 L C 2.408 179.215 176.870 -0.106 0.000 1.077 26 L CA 1.533 56.306 54.840 -0.111 0.000 0.747 26 L CB -0.681 41.313 42.059 -0.107 0.000 0.896 26 L HN 0.270 nan 8.230 nan 0.000 0.432 27 Y N 1.512 121.659 120.300 -0.256 0.000 2.207 27 Y HA -0.313 4.239 4.550 0.003 0.000 0.287 27 Y C 2.935 178.495 175.900 -0.568 0.000 1.156 27 Y CA 1.408 59.299 58.100 -0.348 0.000 1.182 27 Y CB -0.447 37.835 38.460 -0.296 0.000 0.979 27 Y HN 0.279 nan 8.280 nan 0.000 0.521 28 S N -1.341 114.022 115.700 -0.561 0.000 2.442 28 S HA -0.229 4.243 4.470 0.003 0.000 0.236 28 S C 1.508 175.770 174.600 -0.563 0.000 1.007 28 S CA 1.318 59.143 58.200 -0.625 0.000 0.965 28 S CB -0.991 61.927 63.200 -0.470 0.000 0.773 28 S HN 0.533 nan 8.310 nan 0.000 0.504 29 Y N 1.070 121.153 120.300 -0.362 0.000 2.478 29 Y HA 0.269 4.820 4.550 0.003 0.000 0.261 29 Y C 0.789 176.626 175.900 -0.105 0.000 1.127 29 Y CA -0.102 57.894 58.100 -0.174 0.000 1.288 29 Y CB -0.286 38.075 38.460 -0.163 0.000 1.084 29 Y HN 0.380 nan 8.280 nan 0.000 0.530 30 H N -0.019 118.995 119.070 -0.093 0.000 2.791 30 H HA -0.229 4.329 4.556 0.003 0.000 0.302 30 H C 0.129 175.451 175.328 -0.010 0.000 1.198 30 H CA 0.749 56.737 56.048 -0.099 0.000 1.145 30 H CB -1.691 27.987 29.762 -0.140 0.000 1.385 30 H HN 0.429 nan 8.280 nan 0.000 0.409 31 N N -1.078 117.655 118.700 0.055 0.000 2.741 31 N HA -0.199 4.543 4.740 0.003 0.000 0.250 31 N C 1.377 176.915 175.510 0.046 0.000 1.115 31 N CA 0.912 53.989 53.050 0.045 0.000 0.724 31 N CB -1.060 37.459 38.487 0.053 0.000 1.090 31 N HN 0.395 nan 8.380 nan 0.000 0.558 32 L N 1.784 123.040 121.223 0.055 0.000 2.043 32 L HA -0.145 4.197 4.340 0.003 0.000 0.212 32 L C 1.945 178.822 176.870 0.011 0.000 1.075 32 L CA 2.575 57.439 54.840 0.041 0.000 0.752 32 L CB -0.265 41.831 42.059 0.062 0.000 0.891 32 L HN 0.319 nan 8.230 nan 0.000 0.432 33 D N -1.975 118.398 120.400 -0.045 0.000 2.325 33 D HA -0.136 4.506 4.640 0.003 0.000 0.225 33 D C 1.486 177.830 176.300 0.074 0.000 1.096 33 D CA 0.182 54.174 54.000 -0.015 0.000 0.844 33 D CB -0.983 39.728 40.800 -0.148 0.000 0.925 33 D HN 0.559 nan 8.370 nan 0.000 0.513 34 N N 1.136 119.871 118.700 0.058 0.000 2.043 34 N HA -0.176 4.566 4.740 0.003 0.000 0.193 34 N C 1.984 177.557 175.510 0.105 0.000 1.037 34 N CA 1.881 54.976 53.050 0.074 0.000 0.851 34 N CB -0.380 38.140 38.487 0.055 0.000 1.027 34 N HN 0.271 nan 8.380 nan 0.000 0.422 35 G N 0.344 109.208 108.800 0.107 0.000 2.469 35 G HA2 -0.291 3.671 3.960 0.003 0.000 0.219 35 G HA3 -0.291 3.671 3.960 0.003 0.000 0.219 35 G C 1.368 176.355 174.900 0.145 0.000 1.150 35 G CA 0.661 45.828 45.100 0.112 0.000 0.763 35 G HN 0.452 nan 8.290 nan 0.000 0.561 36 F N 2.271 122.260 119.950 0.065 0.000 2.095 36 F HA 0.013 4.541 4.527 0.003 0.000 0.298 36 F C 2.847 178.722 175.800 0.124 0.000 1.104 36 F CA 1.617 59.671 58.000 0.091 0.000 1.232 36 F CB -0.145 38.888 39.000 0.055 0.000 0.987 36 F HN 0.234 nan 8.300 nan 0.000 0.475 37 A N 0.282 123.296 122.820 0.323 0.000 1.902 37 A HA -0.104 4.218 4.320 0.003 0.000 0.217 37 A C 2.350 180.039 177.584 0.176 0.000 1.181 37 A CA 1.846 54.039 52.037 0.260 0.000 0.623 37 A CB -1.525 17.588 19.000 0.189 0.000 0.818 37 A HN 0.514 nan 8.150 nan 0.000 0.443 38 A N -0.662 122.227 122.820 0.115 0.000 1.897 38 A HA 0.216 4.538 4.320 0.003 0.000 0.215 38 A C 2.401 180.024 177.584 0.065 0.000 1.181 38 A CA 1.730 53.818 52.037 0.086 0.000 0.620 38 A CB -1.301 17.738 19.000 0.066 0.000 0.821 38 A HN 0.687 nan 8.150 nan 0.000 0.443 39 G N -1.436 107.374 108.800 0.018 0.000 2.418 39 G HA2 -0.268 3.694 3.960 0.003 0.000 0.217 39 G HA3 -0.268 3.694 3.960 0.003 0.000 0.217 39 G C 1.560 176.450 174.900 -0.017 0.000 1.158 39 G CA 1.273 46.370 45.100 -0.005 0.000 0.771 39 G HN 0.607 nan 8.290 nan 0.000 0.545 40 Y N 1.034 121.173 120.300 -0.269 0.000 2.128 40 Y HA -0.198 4.354 4.550 0.003 0.000 0.284 40 Y C 2.999 178.884 175.900 -0.026 0.000 1.154 40 Y CA 2.347 60.328 58.100 -0.197 0.000 1.149 40 Y CB -0.351 37.935 38.460 -0.289 0.000 0.976 40 Y HN 0.243 nan 8.280 nan 0.000 0.505 41 Q N -0.302 119.515 119.800 0.028 0.000 2.133 41 Q HA -0.287 4.054 4.340 0.003 0.000 0.208 41 Q C 2.169 178.124 176.000 -0.075 0.000 0.991 41 Q CA 2.449 58.221 55.803 -0.052 0.000 0.867 41 Q CB -0.633 28.157 28.738 0.086 0.000 0.911 41 Q HN 0.770 nan 8.270 nan 0.000 0.417 42 H N -1.351 117.663 119.070 -0.094 0.000 2.403 42 H HA 0.115 4.673 4.556 0.003 0.000 0.298 42 H C 0.905 176.180 175.328 -0.087 0.000 1.059 42 H CA 1.842 57.846 56.048 -0.073 0.000 1.363 42 H CB 0.204 29.945 29.762 -0.036 0.000 1.410 42 H HN 0.381 nan 8.280 nan 0.000 0.528 43 N N -0.803 117.846 118.700 -0.085 0.000 2.332 43 N HA 0.251 4.992 4.740 0.003 0.000 0.190 43 N C 0.346 175.801 175.510 -0.093 0.000 1.117 43 N CA 0.326 53.320 53.050 -0.094 0.000 0.883 43 N CB 1.680 40.179 38.487 0.020 0.000 1.089 43 N HN 0.482 nan 8.380 nan 0.000 0.480 44 G N 0.974 109.670 108.800 -0.173 0.000 2.615 44 G HA2 -0.284 3.678 3.960 0.003 0.000 0.218 44 G HA3 -0.284 3.678 3.960 0.003 0.000 0.218 44 G C -0.594 174.449 174.900 0.237 0.000 1.339 44 G CA -0.240 44.790 45.100 -0.117 0.000 0.884 44 G HN 0.204 nan 8.290 nan 0.000 0.559 45 F N 1.892 121.951 119.950 0.182 0.000 2.817 45 F HA 0.538 5.067 4.527 0.003 0.000 0.319 45 F C 1.338 177.449 175.800 0.518 0.000 1.136 45 F CA 1.036 59.250 58.000 0.357 0.000 1.177 45 F CB 0.369 39.617 39.000 0.414 0.000 1.088 45 F HN 0.855 nan 8.300 nan 0.000 0.520 46 G N -0.076 108.928 108.800 0.340 0.000 3.345 46 G HA2 0.110 4.071 3.960 0.003 0.000 0.202 46 G HA3 0.110 4.071 3.960 0.003 0.000 0.202 46 G C 0.769 175.720 174.900 0.085 0.000 1.740 46 G CA 0.109 45.351 45.100 0.237 0.000 0.806 46 G HN 0.079 nan 8.290 nan 0.000 0.718 47 L N 1.318 122.564 121.223 0.037 0.000 2.089 47 L HA 0.020 4.362 4.340 0.003 0.000 0.213 47 L C 2.515 179.397 176.870 0.019 0.000 1.079 47 L CA 2.463 57.309 54.840 0.009 0.000 0.758 47 L CB -0.520 41.539 42.059 0.000 0.000 0.891 47 L HN 0.409 nan 8.230 nan 0.000 0.433 48 G N -1.888 106.932 108.800 0.034 0.000 3.088 48 G HA2 -0.053 3.909 3.960 0.003 0.000 0.212 48 G HA3 -0.053 3.909 3.960 0.003 0.000 0.212 48 G C 1.345 176.275 174.900 0.049 0.000 1.173 48 G CA 0.324 45.443 45.100 0.032 0.000 0.779 48 G HN 0.344 nan 8.290 nan 0.000 0.540 49 L N 1.641 122.898 121.223 0.056 0.000 2.043 49 L HA 0.020 4.361 4.340 0.003 0.000 0.212 49 L C -0.039 176.857 176.870 0.042 0.000 1.075 49 L CA 2.033 56.895 54.840 0.037 0.000 0.752 49 L CB -0.889 41.138 42.059 -0.055 0.000 0.891 49 L HN 0.049 nan 8.230 nan 0.000 0.432 50 P HA -0.154 nan 4.420 nan 0.000 0.215 50 P C 1.536 178.865 177.300 0.049 0.000 1.153 50 P CA 2.064 65.190 63.100 0.044 0.000 0.853 50 P CB -0.214 31.506 31.700 0.033 0.000 0.788 51 A N -1.196 121.651 122.820 0.046 0.000 1.969 51 A HA -0.133 4.188 4.320 0.003 0.000 0.218 51 A C 2.224 179.835 177.584 0.045 0.000 1.169 51 A CA 2.041 54.108 52.037 0.051 0.000 0.635 51 A CB -1.836 17.200 19.000 0.060 0.000 0.810 51 A HN 0.131 nan 8.150 nan 0.000 0.445 52 T N 0.646 115.218 114.554 0.029 0.000 2.684 52 T HA -0.127 4.224 4.350 0.003 0.000 0.267 52 T C 1.768 176.455 174.700 -0.023 0.000 1.036 52 T CA 1.593 63.670 62.100 -0.038 0.000 1.148 52 T CB -0.382 68.446 68.868 -0.066 0.000 0.863 52 T HN 0.393 nan 8.240 nan 0.000 0.436 53 L N 0.572 121.833 121.223 0.062 0.000 2.093 53 L HA -0.058 4.284 4.340 0.003 0.000 0.208 53 L C 2.649 179.580 176.870 0.103 0.000 1.085 53 L CA 0.670 55.585 54.840 0.125 0.000 0.755 53 L CB -0.677 41.459 42.059 0.129 0.000 0.904 53 L HN 0.149 nan 8.230 nan 0.000 0.435 54 V N -0.067 119.893 119.914 0.077 0.000 2.255 54 V HA -0.322 3.800 4.120 0.003 0.000 0.247 54 V C 2.578 178.722 176.094 0.083 0.000 1.051 54 V CA 2.551 64.898 62.300 0.077 0.000 1.018 54 V CB -0.841 31.023 31.823 0.068 0.000 0.641 54 V HN 0.511 nan 8.190 nan 0.000 0.445 55 T N 0.320 114.916 114.554 0.069 0.000 2.788 55 T HA -0.140 4.211 4.350 0.003 0.000 0.268 55 T C 2.007 176.761 174.700 0.091 0.000 1.044 55 T CA 1.405 63.547 62.100 0.070 0.000 1.139 55 T CB -0.456 68.437 68.868 0.041 0.000 0.867 55 T HN 0.572 nan 8.240 nan 0.000 0.454 56 A N 0.885 123.774 122.820 0.115 0.000 1.972 56 A HA 0.056 4.378 4.320 0.003 0.000 0.219 56 A C 2.214 179.884 177.584 0.144 0.000 1.169 56 A CA 1.133 53.289 52.037 0.197 0.000 0.635 56 A CB -0.619 18.593 19.000 0.353 0.000 0.810 56 A HN 0.484 nan 8.150 nan 0.000 0.446 57 L N -1.809 119.482 121.223 0.113 0.000 2.145 57 L HA 0.133 4.475 4.340 0.003 0.000 0.201 57 L C 2.109 179.017 176.870 0.064 0.000 1.075 57 L CA 0.680 55.569 54.840 0.083 0.000 0.773 57 L CB -0.151 41.954 42.059 0.077 0.000 0.936 57 L HN 0.266 nan 8.230 nan 0.000 0.451 58 L N -1.323 119.946 121.223 0.076 0.000 2.638 58 L HA 0.337 4.679 4.340 0.003 0.000 0.232 58 L C 1.205 178.123 176.870 0.079 0.000 1.099 58 L CA 0.241 55.125 54.840 0.073 0.000 0.883 58 L CB 0.166 42.302 42.059 0.128 0.000 1.136 58 L HN 0.408 nan 8.230 nan 0.000 0.492 59 G N 0.234 109.086 108.800 0.087 0.000 2.569 59 G HA2 -0.100 3.862 3.960 0.003 0.000 0.259 59 G HA3 -0.100 3.862 3.960 0.003 0.000 0.259 59 G C 0.110 175.092 174.900 0.136 0.000 1.263 59 G CA -0.260 44.894 45.100 0.090 0.000 0.928 59 G HN 0.550 nan 8.290 nan 0.000 0.572 60 G N -3.691 105.201 108.800 0.154 0.000 2.772 60 G HA2 0.714 4.675 3.960 0.003 0.000 0.284 60 G HA3 0.714 4.675 3.960 0.003 0.000 0.284 60 G C 1.055 176.115 174.900 0.266 0.000 1.217 60 G CA 1.133 46.358 45.100 0.209 0.000 0.831 60 G HN 1.897 nan 8.290 nan 0.000 0.523 61 T N -1.465 113.199 114.554 0.183 0.000 2.995 61 T HA 0.006 4.357 4.350 0.003 0.000 0.269 61 T C 1.086 175.851 174.700 0.108 0.000 1.091 61 T CA 2.042 64.243 62.100 0.168 0.000 1.128 61 T CB -0.085 68.827 68.868 0.074 0.000 0.891 61 T HN 0.533 nan 8.240 nan 0.000 0.492 62 D N 0.765 121.210 120.400 0.076 0.000 2.513 62 D HA 0.192 4.834 4.640 0.003 0.000 0.222 62 D C 0.268 176.601 176.300 0.054 0.000 1.210 62 D CA -0.318 53.714 54.000 0.054 0.000 0.825 62 D CB 0.067 40.887 40.800 0.032 0.000 1.037 62 D HN 0.517 nan 8.370 nan 0.000 0.506 63 S N -1.319 114.420 115.700 0.064 0.000 2.570 63 S HA 0.493 4.964 4.470 0.003 0.000 0.270 63 S C -1.295 173.337 174.600 0.054 0.000 1.149 63 S CA -0.967 57.268 58.200 0.059 0.000 0.837 63 S CB 2.406 65.643 63.200 0.062 0.000 1.124 63 S HN 0.050 nan 8.310 nan 0.000 0.465 64 Q N 0.823 120.650 119.800 0.044 0.000 2.325 64 Q HA 0.581 4.922 4.340 0.003 0.000 0.270 64 Q C 0.420 176.445 176.000 0.043 0.000 1.020 64 Q CA -0.613 55.205 55.803 0.026 0.000 0.785 64 Q CB 1.391 30.136 28.738 0.013 0.000 1.259 64 Q HN 1.007 nan 8.270 nan 0.000 0.452 65 G N 1.164 109.991 108.800 0.044 0.000 2.514 65 G HA2 0.088 4.050 3.960 0.003 0.000 0.245 65 G HA3 0.088 4.050 3.960 0.003 0.000 0.245 65 G C 0.590 175.517 174.900 0.045 0.000 1.488 65 G CA -0.302 44.835 45.100 0.061 0.000 1.063 65 G HN 0.507 nan 8.290 nan 0.000 0.557 66 V N 0.037 119.982 119.914 0.050 0.000 2.719 66 V HA 0.091 4.213 4.120 0.003 0.000 0.252 66 V C 1.237 177.343 176.094 0.020 0.000 1.065 66 V CA 0.745 63.069 62.300 0.041 0.000 1.086 66 V CB -0.426 31.427 31.823 0.050 0.000 0.700 66 V HN 0.285 nan 8.190 nan 0.000 0.467 67 I N 3.226 123.802 120.570 0.009 0.000 2.396 67 I HA 0.216 4.388 4.170 0.003 0.000 0.289 67 I C -1.906 174.187 176.117 -0.040 0.000 1.056 67 I CA -1.618 59.674 61.300 -0.013 0.000 1.365 67 I CB 1.024 39.015 38.000 -0.015 0.000 1.407 67 I HN 0.156 nan 8.210 nan 0.000 0.509 68 P HA 0.166 nan 4.420 nan 0.000 0.276 68 P C 0.601 177.849 177.300 -0.087 0.000 1.261 68 P CA -0.047 63.020 63.100 -0.054 0.000 0.800 68 P CB 0.866 32.544 31.700 -0.036 0.000 1.066 69 G N 0.107 108.848 108.800 -0.097 0.000 2.168 69 G HA2 -0.245 3.717 3.960 0.003 0.000 0.257 69 G HA3 -0.245 3.717 3.960 0.003 0.000 0.257 69 G C 0.093 174.874 174.900 -0.198 0.000 0.997 69 G CA -0.045 44.985 45.100 -0.117 0.000 0.708 69 G HN 0.499 nan 8.290 nan 0.000 0.520 70 I N 1.535 121.935 120.570 -0.283 0.000 2.352 70 I HA 0.175 4.347 4.170 0.003 0.000 0.290 70 I C -0.260 175.520 176.117 -0.561 0.000 1.036 70 I CA -2.109 58.866 61.300 -0.542 0.000 1.336 70 I CB 1.386 38.988 38.000 -0.663 0.000 1.407 70 I HN -0.071 nan 8.210 nan 0.000 0.497 71 P HA -0.116 nan 4.420 nan 0.000 0.222 71 P C 1.120 178.362 177.300 -0.097 0.000 1.153 71 P CA 1.199 64.166 63.100 -0.220 0.000 0.798 71 P CB -0.031 31.630 31.700 -0.065 0.000 0.796 72 W N 0.180 121.484 121.300 0.007 0.000 3.047 72 W HA 0.223 4.884 4.660 0.003 0.000 0.250 72 W C 0.164 176.686 176.519 0.006 0.000 1.314 72 W CA -0.658 56.690 57.345 0.005 0.000 1.540 72 W CB -1.983 27.478 29.460 0.001 0.000 1.127 72 W HN -0.202 nan 8.180 nan 0.000 0.679 73 N N 3.410 122.029 118.700 -0.135 0.000 2.525 73 N HA 0.147 4.888 4.740 0.003 0.000 0.271 73 N C -2.079 173.429 175.510 -0.004 0.000 1.194 73 N CA -1.585 51.437 53.050 -0.047 0.000 0.964 73 N CB 0.611 39.022 38.487 -0.127 0.000 1.126 73 N HN -0.246 nan 8.380 nan 0.000 0.452 74 P HA -0.036 nan 4.420 nan 0.000 0.272 74 P C -0.795 176.511 177.300 0.010 0.000 1.230 74 P CA -0.027 63.088 63.100 0.025 0.000 0.788 74 P CB 0.564 32.286 31.700 0.036 0.000 0.949 75 D N 0.972 121.381 120.400 0.014 0.000 2.498 75 D HA -0.002 4.639 4.640 0.003 0.000 0.229 75 D C 1.349 177.668 176.300 0.032 0.000 1.188 75 D CA 0.115 54.124 54.000 0.015 0.000 1.028 75 D CB -0.287 40.523 40.800 0.016 0.000 1.087 75 D HN 0.212 nan 8.370 nan 0.000 0.510 76 S N 2.218 117.938 115.700 0.033 0.000 2.419 76 S HA -0.174 4.298 4.470 0.003 0.000 0.233 76 S C 1.477 176.120 174.600 0.071 0.000 1.016 76 S CA 0.754 58.983 58.200 0.049 0.000 0.974 76 S CB -0.126 63.101 63.200 0.046 0.000 0.786 76 S HN 0.509 nan 8.310 nan 0.000 0.492 77 E N 1.324 121.570 120.200 0.075 0.000 2.072 77 E HA -0.065 4.287 4.350 0.003 0.000 0.190 77 E C 2.161 178.846 176.600 0.141 0.000 0.982 77 E CA 0.869 57.341 56.400 0.120 0.000 0.803 77 E CB -0.156 29.596 29.700 0.087 0.000 0.755 77 E HN 0.578 nan 8.360 nan 0.000 0.453 78 K N 1.240 121.697 120.400 0.095 0.000 2.057 78 K HA -0.154 4.167 4.320 0.003 0.000 0.207 78 K C 2.154 178.807 176.600 0.088 0.000 1.049 78 K CA 0.954 57.294 56.287 0.088 0.000 0.931 78 K CB -0.091 32.442 32.500 0.055 0.000 0.714 78 K HN 0.103 nan 8.250 nan 0.000 0.440 79 L N 0.437 121.705 121.223 0.075 0.000 2.079 79 L HA -0.195 4.147 4.340 0.003 0.000 0.210 79 L C 2.643 179.564 176.870 0.085 0.000 1.081 79 L CA 1.288 56.167 54.840 0.066 0.000 0.752 79 L CB -0.582 41.509 42.059 0.054 0.000 0.896 79 L HN 0.273 nan 8.230 nan 0.000 0.433 80 A N -0.057 122.834 122.820 0.120 0.000 1.898 80 A HA -0.194 4.128 4.320 0.003 0.000 0.216 80 A C 2.205 179.927 177.584 0.231 0.000 1.181 80 A CA 1.405 53.538 52.037 0.161 0.000 0.620 80 A CB -0.622 18.465 19.000 0.145 0.000 0.819 80 A HN 0.293 nan 8.150 nan 0.000 0.442 81 L N 0.357 121.735 121.223 0.259 0.000 2.012 81 L HA -0.195 4.147 4.340 0.003 0.000 0.210 81 L C 1.686 178.565 176.870 0.014 0.000 1.073 81 L CA 2.554 57.481 54.840 0.145 0.000 0.748 81 L CB -0.733 41.439 42.059 0.187 0.000 0.891 81 L HN 0.362 nan 8.230 nan 0.000 0.431 82 D N -0.217 120.208 120.400 0.042 0.000 2.123 82 D HA -0.183 4.458 4.640 0.003 0.000 0.196 82 D C 2.192 178.499 176.300 0.011 0.000 0.992 82 D CA 1.557 55.569 54.000 0.019 0.000 0.833 82 D CB -0.287 40.530 40.800 0.027 0.000 0.954 82 D HN 0.504 nan 8.370 nan 0.000 0.455 83 A N 0.616 123.451 122.820 0.024 0.000 1.902 83 A HA -0.137 4.184 4.320 0.003 0.000 0.217 83 A C 2.468 180.057 177.584 0.009 0.000 1.181 83 A CA 1.316 53.366 52.037 0.021 0.000 0.623 83 A CB -0.870 18.149 19.000 0.032 0.000 0.818 83 A HN 0.186 nan 8.150 nan 0.000 0.443 84 V N -0.010 119.886 119.914 -0.031 0.000 2.358 84 V HA -0.235 3.887 4.120 0.003 0.000 0.246 84 V C 2.395 178.502 176.094 0.021 0.000 1.047 84 V CA 2.501 64.767 62.300 -0.057 0.000 1.035 84 V CB -0.529 31.088 31.823 -0.342 0.000 0.658 84 V HN 0.626 nan 8.190 nan 0.000 0.452 85 K N -0.076 120.303 120.400 -0.035 0.000 2.063 85 K HA -0.274 4.048 4.320 0.003 0.000 0.208 85 K C 2.233 178.829 176.600 -0.007 0.000 1.048 85 K CA 2.025 58.307 56.287 -0.009 0.000 0.928 85 K CB -0.304 32.183 32.500 -0.021 0.000 0.713 85 K HN 0.385 nan 8.250 nan 0.000 0.442 86 K N 0.885 121.284 120.400 -0.002 0.000 2.103 86 K HA -0.140 4.182 4.320 0.003 0.000 0.207 86 K C 1.814 178.411 176.600 -0.006 0.000 1.048 86 K CA 1.389 57.674 56.287 -0.005 0.000 0.930 86 K CB -0.076 32.426 32.500 0.003 0.000 0.716 86 K HN 0.164 nan 8.250 nan 0.000 0.444 87 A N -0.336 122.502 122.820 0.031 0.000 2.235 87 A HA 0.181 4.503 4.320 0.003 0.000 0.208 87 A C 1.315 178.857 177.584 -0.069 0.000 1.172 87 A CA 0.924 52.993 52.037 0.054 0.000 0.786 87 A CB -0.243 18.860 19.000 0.172 0.000 0.804 87 A HN 0.591 nan 8.150 nan 0.000 0.479 88 G N -3.280 105.435 108.800 -0.142 0.000 2.192 88 G HA2 -0.200 3.762 3.960 0.003 0.000 0.193 88 G HA3 -0.200 3.762 3.960 0.003 0.000 0.193 88 G C -0.300 174.316 174.900 -0.474 0.000 0.999 88 G CA -0.251 44.634 45.100 -0.358 0.000 0.659 88 G HN 0.385 nan 8.290 nan 0.000 0.503 89 W N 0.821 122.078 121.300 -0.072 0.000 2.520 89 W HA 0.690 5.351 4.660 0.003 0.000 0.323 89 W C 0.095 176.568 176.519 -0.076 0.000 1.062 89 W CA -0.547 56.746 57.345 -0.086 0.000 1.215 89 W CB 1.930 31.299 29.460 -0.151 0.000 1.340 89 W HN 0.060 nan 8.180 nan 0.000 0.516 90 T N 3.624 118.335 114.554 0.260 0.000 2.841 90 T HA 0.336 4.688 4.350 0.003 0.000 0.285 90 T C -2.654 172.152 174.700 0.177 0.000 0.991 90 T CA -1.751 60.453 62.100 0.174 0.000 0.966 90 T CB 1.578 70.575 68.868 0.215 0.000 0.962 90 T HN -0.102 nan 8.240 nan 0.000 0.438 91 P HA 0.170 nan 4.420 nan 0.000 0.264 91 P C -0.477 176.908 177.300 0.143 0.000 1.193 91 P CA -0.115 63.054 63.100 0.115 0.000 0.763 91 P CB 0.257 32.033 31.700 0.126 0.000 0.810 92 I N 2.628 123.281 120.570 0.138 0.000 2.395 92 I HA 0.123 4.295 4.170 0.003 0.000 0.289 92 I C 1.267 177.454 176.117 0.116 0.000 1.023 92 I CA -0.239 61.109 61.300 0.081 0.000 1.350 92 I CB 0.815 38.769 38.000 -0.078 0.000 1.409 92 I HN 0.345 nan 8.210 nan 0.000 0.507 93 T N 2.640 117.235 114.554 0.070 0.000 2.868 93 T HA 0.315 4.666 4.350 0.003 0.000 0.292 93 T C 1.269 176.060 174.700 0.152 0.000 1.028 93 T CA -0.275 61.871 62.100 0.077 0.000 1.059 93 T CB 1.612 70.503 68.868 0.039 0.000 0.991 93 T HN 0.672 nan 8.240 nan 0.000 0.531 94 A N 1.553 124.470 122.820 0.162 0.000 1.948 94 A HA -0.099 4.222 4.320 0.003 0.000 0.220 94 A C 2.680 180.379 177.584 0.191 0.000 1.177 94 A CA 2.319 54.541 52.037 0.308 0.000 0.636 94 A CB -1.451 17.696 19.000 0.245 0.000 0.815 94 A HN 0.938 nan 8.150 nan 0.000 0.449 95 S N -0.693 115.069 115.700 0.103 0.000 2.356 95 S HA -0.230 4.242 4.470 0.003 0.000 0.223 95 S C 2.135 176.777 174.600 0.070 0.000 1.032 95 S CA 1.658 59.904 58.200 0.077 0.000 1.005 95 S CB -0.405 62.827 63.200 0.053 0.000 0.867 95 S HN 0.711 nan 8.310 nan 0.000 0.449 96 Q N 0.164 119.991 119.800 0.043 0.000 2.170 96 Q HA -0.007 4.335 4.340 0.003 0.000 0.203 96 Q C 2.019 178.002 176.000 -0.029 0.000 0.976 96 Q CA 1.278 57.104 55.803 0.039 0.000 0.858 96 Q CB -0.264 28.472 28.738 -0.003 0.000 0.907 96 Q HN 0.509 nan 8.270 nan 0.000 0.433 97 L N -0.565 120.589 121.223 -0.114 0.000 2.509 97 L HA 0.135 4.477 4.340 0.003 0.000 0.222 97 L C 0.985 177.901 176.870 0.078 0.000 1.123 97 L CA 0.180 54.953 54.840 -0.110 0.000 0.856 97 L CB -0.158 41.795 42.059 -0.177 0.000 0.985 97 L HN 0.353 nan 8.230 nan 0.000 0.456 98 G N 0.235 109.101 108.800 0.110 0.000 2.338 98 G HA2 -0.352 3.609 3.960 0.003 0.000 0.296 98 G HA3 -0.352 3.609 3.960 0.003 0.000 0.296 98 G C -0.203 174.802 174.900 0.175 0.000 1.040 98 G CA 0.081 45.255 45.100 0.124 0.000 1.004 98 G HN 0.325 nan 8.290 nan 0.000 0.509 99 Y N 1.111 121.455 120.300 0.073 0.000 2.320 99 Y HA 0.460 5.012 4.550 0.003 0.000 0.334 99 Y C 1.105 177.068 175.900 0.105 0.000 1.055 99 Y CA -0.966 57.196 58.100 0.103 0.000 1.143 99 Y CB 1.274 39.839 38.460 0.174 0.000 1.193 99 Y HN 0.225 nan 8.280 nan 0.000 0.477 100 D N 2.027 122.172 120.400 -0.424 0.000 2.369 100 D HA 0.160 4.801 4.640 0.003 0.000 0.211 100 D C 0.867 176.878 176.300 -0.481 0.000 1.077 100 D CA 0.228 54.026 54.000 -0.337 0.000 0.842 100 D CB -0.076 40.613 40.800 -0.185 0.000 0.947 100 D HN 0.661 nan 8.370 nan 0.000 0.509 101 G N 0.103 108.266 108.800 -1.061 0.000 2.531 101 G HA2 0.221 4.183 3.960 0.003 0.000 0.253 101 G HA3 0.221 4.183 3.960 0.003 0.000 0.253 101 G C -0.491 174.362 174.900 -0.077 0.000 1.439 101 G CA -0.727 44.055 45.100 -0.531 0.000 1.056 101 G HN 0.119 nan 8.290 nan 0.000 0.555 102 K N 0.266 120.773 120.400 0.178 0.000 2.201 102 K HA 0.434 4.755 4.320 0.003 0.000 0.278 102 K C -0.336 176.414 176.600 0.250 0.000 1.027 102 K CA -0.214 56.152 56.287 0.132 0.000 0.909 102 K CB 0.758 33.274 32.500 0.027 0.000 1.062 102 K HN 0.622 nan 8.250 nan 0.000 0.465 103 T N 0.049 114.631 114.554 0.046 0.000 2.930 103 T HA 0.368 4.720 4.350 0.003 0.000 0.290 103 T C -0.313 174.328 174.700 -0.097 0.000 1.052 103 T CA -0.949 61.129 62.100 -0.035 0.000 1.017 103 T CB 1.576 70.269 68.868 -0.292 0.000 1.137 103 T HN 0.630 nan 8.240 nan 0.000 0.511 104 D N 0.160 120.563 120.400 0.005 0.000 2.564 104 D HA 0.532 5.174 4.640 0.003 0.000 0.273 104 D C 1.584 177.851 176.300 -0.054 0.000 1.192 104 D CA -0.554 53.413 54.000 -0.055 0.000 1.080 104 D CB 0.357 41.184 40.800 0.045 0.000 1.160 104 D HN 0.650 nan 8.370 nan 0.000 0.607 105 A N -0.594 122.194 122.820 -0.052 0.000 2.076 105 A HA -0.161 4.161 4.320 0.003 0.000 0.220 105 A C 2.000 179.561 177.584 -0.038 0.000 1.160 105 A CA 1.145 53.154 52.037 -0.046 0.000 0.653 105 A CB -0.654 18.321 19.000 -0.041 0.000 0.801 105 A HN 0.521 nan 8.150 nan 0.000 0.455 106 R N -1.733 118.741 120.500 -0.043 0.000 2.297 106 R HA 0.218 4.559 4.340 0.003 0.000 0.197 106 R C 1.388 177.687 176.300 -0.003 0.000 0.943 106 R CA 0.558 56.640 56.100 -0.030 0.000 1.038 106 R CB -0.025 30.201 30.300 -0.124 0.000 0.957 106 R HN 0.655 nan 8.270 nan 0.000 0.484 107 G N 0.559 109.319 108.800 -0.067 0.000 2.176 107 G HA2 -0.277 3.685 3.960 0.003 0.000 0.253 107 G HA3 -0.277 3.685 3.960 0.003 0.000 0.253 107 G C 0.273 175.000 174.900 -0.287 0.000 0.979 107 G CA 0.280 45.280 45.100 -0.167 0.000 0.641 107 G HN 0.311 nan 8.290 nan 0.000 0.530 108 T N 1.325 115.813 114.554 -0.110 0.000 2.928 108 T HA 0.444 4.795 4.350 0.003 0.000 0.305 108 T C 0.262 174.922 174.700 -0.067 0.000 1.035 108 T CA 0.418 62.485 62.100 -0.054 0.000 1.145 108 T CB 0.464 69.310 68.868 -0.038 0.000 0.963 108 T HN 0.221 nan 8.240 nan 0.000 0.545 109 F N 2.051 122.033 119.950 0.054 0.000 2.399 109 F HA 0.561 5.090 4.527 0.003 0.000 0.334 109 F C 0.176 176.167 175.800 0.318 0.000 1.097 109 F CA -0.956 57.169 58.000 0.209 0.000 1.076 109 F CB 0.785 39.749 39.000 -0.060 0.000 1.162 109 F HN 0.454 nan 8.300 nan 0.000 0.495 110 F N 0.401 120.644 119.950 0.488 0.000 2.507 110 F HA 0.593 5.121 4.527 0.003 0.000 0.327 110 F C 0.876 176.890 175.800 0.356 0.000 1.068 110 F CA -1.030 57.204 58.000 0.390 0.000 0.965 110 F CB 1.444 40.567 39.000 0.206 0.000 1.192 110 F HN 0.559 nan 8.300 nan 0.000 0.476 111 G N 1.108 110.023 108.800 0.192 0.000 2.559 111 G HA2 0.103 4.064 3.960 0.003 0.000 0.235 111 G HA3 0.103 4.064 3.960 0.003 0.000 0.235 111 G C 0.244 175.121 174.900 -0.039 0.000 1.266 111 G CA -0.217 44.697 45.100 -0.311 0.000 0.847 111 G HN 0.877 nan 8.290 nan 0.000 0.583 112 E N 0.007 120.130 120.200 -0.128 0.000 2.340 112 E HA 0.056 4.408 4.350 0.003 0.000 0.194 112 E C 0.643 177.250 176.600 0.012 0.000 0.996 112 E CA 0.625 57.032 56.400 0.013 0.000 0.869 112 E CB 0.304 30.023 29.700 0.032 0.000 0.835 112 E HN 0.398 nan 8.360 nan 0.000 0.493 113 K N 0.221 120.626 120.400 0.008 0.000 2.328 113 K HA 0.567 4.888 4.320 0.003 0.000 0.246 113 K C -0.848 175.852 176.600 0.165 0.000 0.955 113 K CA -0.875 55.454 56.287 0.070 0.000 0.817 113 K CB 2.004 34.522 32.500 0.029 0.000 1.208 113 K HN -0.068 nan 8.250 nan 0.000 0.432 114 A N 0.554 123.450 122.820 0.127 0.000 2.567 114 A HA 0.356 4.678 4.320 0.003 0.000 0.240 114 A C 1.179 178.841 177.584 0.131 0.000 1.053 114 A CA 1.390 53.489 52.037 0.104 0.000 0.755 114 A CB -0.875 18.167 19.000 0.071 0.000 0.978 114 A HN 0.971 nan 8.150 nan 0.000 0.507 115 G N 0.717 109.532 108.800 0.024 0.000 2.234 115 G HA2 -0.279 3.683 3.960 0.003 0.000 0.235 115 G HA3 -0.279 3.683 3.960 0.003 0.000 0.235 115 G C 0.277 174.912 174.900 -0.442 0.000 0.997 115 G CA 0.880 45.878 45.100 -0.171 0.000 0.623 115 G HN 1.016 nan 8.290 nan 0.000 0.514 116 Y N 0.734 121.033 120.300 -0.002 0.000 2.675 116 Y HA 0.294 4.845 4.550 0.003 0.000 0.248 116 Y C 2.317 178.177 175.900 -0.066 0.000 1.161 116 Y CA 0.692 58.740 58.100 -0.086 0.000 1.203 116 Y CB 0.465 38.762 38.460 -0.272 0.000 1.262 116 Y HN 0.333 nan 8.280 nan 0.000 0.544 117 T N -3.921 110.699 114.554 0.110 0.000 3.118 117 T HA -0.096 4.256 4.350 0.003 0.000 0.260 117 T C 1.547 176.378 174.700 0.218 0.000 1.139 117 T CA 1.307 63.498 62.100 0.152 0.000 1.085 117 T CB -0.392 68.552 68.868 0.126 0.000 0.934 117 T HN 0.351 nan 8.240 nan 0.000 0.518 118 T N -1.037 113.614 114.554 0.161 0.000 3.105 118 T HA 0.632 4.984 4.350 0.003 0.000 0.253 118 T C 0.746 175.529 174.700 0.138 0.000 1.047 118 T CA -0.143 62.056 62.100 0.165 0.000 0.944 118 T CB -0.162 68.784 68.868 0.131 0.000 1.016 118 T HN 0.511 nan 8.240 nan 0.000 0.544 119 A N 1.225 124.132 122.820 0.145 0.000 2.425 119 A HA 0.656 4.978 4.320 0.003 0.000 0.249 119 A C -0.124 177.588 177.584 0.213 0.000 1.084 119 A CA -0.399 51.765 52.037 0.211 0.000 0.781 119 A CB 0.337 19.371 19.000 0.057 0.000 1.019 119 A HN 0.531 nan 8.150 nan 0.000 0.490 120 Q N -0.273 119.671 119.800 0.239 0.000 2.397 120 Q HA 0.688 5.030 4.340 0.003 0.000 0.275 120 Q C -1.152 174.883 176.000 0.059 0.000 1.090 120 Q CA -0.438 55.380 55.803 0.025 0.000 0.809 120 Q CB 2.688 31.272 28.738 -0.256 0.000 1.362 120 Q HN 0.760 nan 8.270 nan 0.000 0.431 121 V N 1.105 120.919 119.914 -0.168 0.000 3.048 121 V HA 0.527 4.648 4.120 0.003 0.000 0.303 121 V C -1.699 174.237 176.094 -0.262 0.000 1.214 121 V CA -0.551 61.483 62.300 -0.442 0.000 0.984 121 V CB 2.355 33.519 31.823 -1.098 0.000 1.054 121 V HN 0.723 nan 8.190 nan 0.000 0.430 122 E N 5.581 125.602 120.200 -0.298 0.000 2.183 122 E HA 0.541 4.893 4.350 0.003 0.000 0.271 122 E C -1.153 175.303 176.600 -0.239 0.000 0.919 122 E CA -0.576 55.766 56.400 -0.097 0.000 0.781 122 E CB 2.382 32.069 29.700 -0.022 0.000 1.140 122 E HN 0.502 nan 8.360 nan 0.000 0.402 123 I N 3.847 124.363 120.570 -0.090 0.000 2.382 123 I HA 0.374 4.546 4.170 0.003 0.000 0.286 123 I C -0.417 175.666 176.117 -0.057 0.000 1.002 123 I CA -0.624 60.540 61.300 -0.227 0.000 1.135 123 I CB 0.665 38.392 38.000 -0.453 0.000 1.288 123 I HN 0.302 nan 8.210 nan 0.000 0.448 124 L N 5.040 126.216 121.223 -0.078 0.000 2.370 124 L HA 0.848 5.189 4.340 0.003 0.000 0.266 124 L C 0.404 177.435 176.870 0.268 0.000 1.002 124 L CA -0.368 54.517 54.840 0.076 0.000 0.818 124 L CB 2.255 44.291 42.059 -0.040 0.000 1.325 124 L HN 0.649 nan 8.230 nan 0.000 0.418 125 G N 0.580 109.579 108.800 0.331 0.000 2.461 125 G HA2 0.627 4.589 3.960 0.003 0.000 0.323 125 G HA3 0.627 4.589 3.960 0.003 0.000 0.323 125 G C -1.407 173.424 174.900 -0.116 0.000 1.229 125 G CA -0.520 44.631 45.100 0.085 0.000 0.941 125 G HN 0.455 nan 8.290 nan 0.000 0.477 126 K N 1.197 121.297 120.400 -0.500 0.000 2.240 126 K HA 0.553 4.875 4.320 0.003 0.000 0.271 126 K C -1.453 174.786 176.600 -0.601 0.000 1.018 126 K CA -0.541 55.330 56.287 -0.693 0.000 0.874 126 K CB 0.666 32.563 32.500 -1.005 0.000 1.098 126 K HN 0.471 nan 8.250 nan 0.000 0.458 127 Y N 2.582 122.777 120.300 -0.175 0.000 2.393 127 Y HA 0.180 4.732 4.550 0.003 0.000 0.341 127 Y C 0.285 176.113 175.900 -0.121 0.000 0.988 127 Y CA -1.016 57.023 58.100 -0.100 0.000 1.078 127 Y CB 1.216 39.637 38.460 -0.064 0.000 1.203 127 Y HN 0.755 nan 8.280 nan 0.000 0.453 128 D N 1.082 121.505 120.400 0.037 0.000 2.414 128 D HA 0.157 4.798 4.640 0.003 0.000 0.259 128 D C 1.262 177.531 176.300 -0.051 0.000 1.269 128 D CA -0.013 53.972 54.000 -0.025 0.000 1.028 128 D CB 0.399 41.187 40.800 -0.019 0.000 1.093 128 D HN 0.553 nan 8.370 nan 0.000 0.545 129 A N -0.790 121.988 122.820 -0.069 0.000 2.076 129 A HA -0.163 4.158 4.320 0.003 0.000 0.220 129 A C 0.746 178.263 177.584 -0.112 0.000 1.160 129 A CA 1.585 53.576 52.037 -0.076 0.000 0.653 129 A CB -0.713 18.252 19.000 -0.059 0.000 0.801 129 A HN 0.605 nan 8.150 nan 0.000 0.455 130 Q N -0.803 118.881 119.800 -0.194 0.000 3.244 130 Q HA 0.489 4.831 4.340 0.003 0.000 0.249 130 Q C -0.051 175.630 176.000 -0.531 0.000 0.951 130 Q CA 0.232 55.865 55.803 -0.282 0.000 0.740 130 Q CB 0.397 28.987 28.738 -0.245 0.000 1.334 130 Q HN 0.212 nan 8.270 nan 0.000 0.448 131 G N 1.563 110.179 108.800 -0.306 0.000 2.821 131 G HA2 0.187 4.148 3.960 0.003 0.000 0.289 131 G HA3 0.187 4.148 3.960 0.003 0.000 0.289 131 G C -0.709 174.190 174.900 -0.001 0.000 0.771 131 G CA -0.119 44.883 45.100 -0.164 0.000 1.908 131 G HN 0.535 nan 8.290 nan 0.000 0.539 132 H N 0.662 119.815 119.070 0.138 0.000 2.472 132 H HA 0.311 4.869 4.556 0.003 0.000 0.335 132 H C -0.094 175.321 175.328 0.145 0.000 1.136 132 H CA -1.208 54.919 56.048 0.132 0.000 1.264 132 H CB 2.329 32.112 29.762 0.036 0.000 1.486 132 H HN 0.332 nan 8.280 nan 0.000 0.517 133 L N 2.352 123.687 121.223 0.187 0.000 2.477 133 L HA -0.008 4.334 4.340 0.003 0.000 0.272 133 L C 1.223 178.018 176.870 -0.124 0.000 1.157 133 L CA 0.666 55.408 54.840 -0.164 0.000 0.889 133 L CB 0.457 42.398 42.059 -0.195 0.000 1.158 133 L HN 0.930 nan 8.230 nan 0.000 0.473 134 T N 0.471 114.908 114.554 -0.194 0.000 2.971 134 T HA 0.294 4.645 4.350 0.003 0.000 0.252 134 T C 0.465 175.092 174.700 -0.121 0.000 1.022 134 T CA 0.003 62.027 62.100 -0.126 0.000 0.980 134 T CB 0.080 68.879 68.868 -0.116 0.000 1.044 134 T HN 0.590 nan 8.240 nan 0.000 0.501 135 E N -0.365 119.740 120.200 -0.159 0.000 2.375 135 E HA 0.581 4.932 4.350 0.003 0.000 0.280 135 E C -1.945 174.703 176.600 0.080 0.000 0.972 135 E CA -0.830 55.544 56.400 -0.042 0.000 0.782 135 E CB 2.214 31.865 29.700 -0.081 0.000 1.229 135 E HN 0.297 nan 8.360 nan 0.000 0.439 136 I N 1.888 122.571 120.570 0.188 0.000 2.441 136 I HA 0.556 4.727 4.170 0.003 0.000 0.295 136 I C 0.202 176.409 176.117 0.149 0.000 0.994 136 I CA -0.591 60.841 61.300 0.220 0.000 1.144 136 I CB 2.074 40.171 38.000 0.161 0.000 1.314 136 I HN 0.532 nan 8.210 nan 0.000 0.445 137 G N 6.618 115.373 108.800 -0.074 0.000 2.470 137 G HA2 0.743 4.705 3.960 0.003 0.000 0.320 137 G HA3 0.743 4.705 3.960 0.003 0.000 0.320 137 G C -0.930 173.685 174.900 -0.474 0.000 1.245 137 G CA -0.376 44.387 45.100 -0.561 0.000 0.935 137 G HN 0.462 nan 8.290 nan 0.000 0.476 138 I N 2.014 122.280 120.570 -0.506 0.000 2.411 138 I HA 0.466 4.638 4.170 0.003 0.000 0.284 138 I C 0.160 175.865 176.117 -0.687 0.000 1.012 138 I CA -0.772 60.152 61.300 -0.626 0.000 1.119 138 I CB 1.984 39.581 38.000 -0.673 0.000 1.261 138 I HN 0.534 nan 8.210 nan 0.000 0.448 139 A N 7.215 129.634 122.820 -0.669 0.000 2.293 139 A HA 0.692 5.013 4.320 0.003 0.000 0.312 139 A C -0.820 176.436 177.584 -0.546 0.000 1.309 139 A CA -0.347 51.380 52.037 -0.517 0.000 0.839 139 A CB 0.102 18.874 19.000 -0.380 0.000 1.155 139 A HN 0.506 nan 8.150 nan 0.000 0.501 140 F N 1.541 121.359 119.950 -0.220 0.000 2.438 140 F HA 0.373 4.902 4.527 0.003 0.000 0.356 140 F C 1.181 176.868 175.800 -0.188 0.000 1.099 140 F CA 0.033 57.939 58.000 -0.158 0.000 1.185 140 F CB 0.870 39.847 39.000 -0.039 0.000 1.115 140 F HN 0.634 nan 8.300 nan 0.000 0.526 141 R N 2.041 122.521 120.500 -0.033 0.000 2.438 141 R HA 0.414 4.756 4.340 0.003 0.000 0.287 141 R C 0.678 176.923 176.300 -0.091 0.000 1.077 141 R CA -0.269 55.690 56.100 -0.235 0.000 1.034 141 R CB 0.450 30.607 30.300 -0.239 0.000 0.993 141 R HN 0.872 nan 8.270 nan 0.000 0.459 142 G N 1.897 110.567 108.800 -0.218 0.000 2.744 142 G HA2 -0.070 3.892 3.960 0.003 0.000 0.257 142 G HA3 -0.070 3.892 3.960 0.003 0.000 0.257 142 G C -0.588 174.448 174.900 0.227 0.000 1.244 142 G CA -0.504 44.687 45.100 0.152 0.000 0.916 142 G HN 0.675 nan 8.290 nan 0.000 0.564 143 T N 0.785 115.506 114.554 0.278 0.000 2.765 143 T HA 0.330 4.681 4.350 0.003 0.000 0.275 143 T C 0.536 175.405 174.700 0.282 0.000 1.007 143 T CA 1.401 63.655 62.100 0.257 0.000 1.175 143 T CB -0.740 68.277 68.868 0.248 0.000 0.993 143 T HN 2.044 nan 8.240 nan 0.000 0.510 144 S N 1.028 116.845 115.700 0.194 0.000 3.371 144 S HA 0.320 4.791 4.470 0.003 0.000 0.645 144 S C -0.353 174.326 174.600 0.131 0.000 0.757 144 S CA -0.720 57.579 58.200 0.166 0.000 1.253 144 S CB -0.767 62.550 63.200 0.194 0.000 1.047 144 S HN 1.454 nan 8.310 nan 0.000 0.350 145 G N -0.042 108.820 108.800 0.103 0.000 2.947 145 G HA2 0.833 4.794 3.960 0.003 0.000 0.293 145 G HA3 0.833 4.794 3.960 0.003 0.000 0.293 145 G C -3.481 171.459 174.900 0.068 0.000 1.243 145 G CA -1.130 44.010 45.100 0.068 0.000 0.802 145 G HN 0.741 nan 8.290 nan 0.000 0.560 146 P HA 0.192 nan 4.420 nan 0.000 0.266 146 P C 0.825 178.149 177.300 0.040 0.000 1.195 146 P CA -0.088 63.032 63.100 0.033 0.000 0.768 146 P CB 0.808 32.550 31.700 0.069 0.000 0.838 147 R N 2.011 122.524 120.500 0.022 0.000 2.140 147 R HA -0.261 4.080 4.340 0.003 0.000 0.250 147 R C 1.612 177.924 176.300 0.019 0.000 1.150 147 R CA 1.881 57.994 56.100 0.021 0.000 0.966 147 R CB -0.408 29.897 30.300 0.008 0.000 0.869 147 R HN 0.578 nan 8.270 nan 0.000 0.445 148 E N -0.151 120.058 120.200 0.016 0.000 2.130 148 E HA -0.158 4.194 4.350 0.003 0.000 0.196 148 E C 0.893 177.508 176.600 0.024 0.000 0.998 148 E CA 1.103 57.511 56.400 0.013 0.000 0.806 148 E CB -0.095 29.612 29.700 0.012 0.000 0.738 148 E HN 0.329 nan 8.360 nan 0.000 0.459 149 N N -0.171 118.555 118.700 0.044 0.000 2.622 149 N HA 0.038 4.780 4.740 0.003 0.000 0.304 149 N C 0.460 176.006 175.510 0.060 0.000 1.844 149 N CA -0.088 52.993 53.050 0.052 0.000 0.886 149 N CB 0.288 38.815 38.487 0.067 0.000 1.366 149 N HN -0.002 nan 8.380 nan 0.000 0.491 150 L N 1.041 122.293 121.223 0.049 0.000 2.017 150 L HA -0.097 4.245 4.340 0.003 0.000 0.208 150 L C 1.763 178.662 176.870 0.047 0.000 1.073 150 L CA 1.774 56.645 54.840 0.052 0.000 0.745 150 L CB -0.267 41.818 42.059 0.043 0.000 0.894 150 L HN 0.290 nan 8.230 nan 0.000 0.432 151 I N -1.102 119.490 120.570 0.036 0.000 2.163 151 I HA -0.232 3.940 4.170 0.003 0.000 0.240 151 I C 2.512 178.648 176.117 0.032 0.000 1.081 151 I CA 1.117 62.433 61.300 0.027 0.000 1.353 151 I CB -1.418 36.592 38.000 0.018 0.000 1.054 151 I HN 0.262 nan 8.210 nan 0.000 0.407 152 L N 1.027 122.271 121.223 0.035 0.000 2.046 152 L HA -0.226 4.116 4.340 0.003 0.000 0.208 152 L C 2.368 179.270 176.870 0.054 0.000 1.077 152 L CA 1.873 56.736 54.840 0.039 0.000 0.747 152 L CB -0.931 41.151 42.059 0.038 0.000 0.896 152 L HN 0.318 nan 8.230 nan 0.000 0.432 153 D N -1.471 118.972 120.400 0.072 0.000 2.144 153 D HA -0.153 4.489 4.640 0.003 0.000 0.199 153 D C 1.931 178.280 176.300 0.082 0.000 0.984 153 D CA 1.343 55.398 54.000 0.092 0.000 0.834 153 D CB 0.438 41.306 40.800 0.114 0.000 0.955 153 D HN 0.325 nan 8.370 nan 0.000 0.465 154 S N 0.230 115.971 115.700 0.068 0.000 2.382 154 S HA -0.103 4.369 4.470 0.003 0.000 0.228 154 S C 2.186 176.815 174.600 0.047 0.000 1.027 154 S CA 0.482 58.719 58.200 0.062 0.000 0.991 154 S CB -0.076 63.151 63.200 0.044 0.000 0.823 154 S HN 0.333 nan 8.310 nan 0.000 0.469 155 I N 1.481 122.071 120.570 0.035 0.000 2.179 155 I HA -0.149 4.022 4.170 0.003 0.000 0.242 155 I C 2.749 178.882 176.117 0.027 0.000 1.088 155 I CA 1.177 62.490 61.300 0.021 0.000 1.357 155 I CB -0.955 37.053 38.000 0.014 0.000 1.051 155 I HN 0.373 nan 8.210 nan 0.000 0.409 156 G N 0.647 109.470 108.800 0.039 0.000 2.476 156 G HA2 -0.293 3.668 3.960 0.003 0.000 0.218 156 G HA3 -0.293 3.668 3.960 0.003 0.000 0.218 156 G C 1.266 176.200 174.900 0.055 0.000 1.164 156 G CA 1.297 46.421 45.100 0.041 0.000 0.768 156 G HN 0.310 nan 8.290 nan 0.000 0.560 157 D N 0.150 120.599 120.400 0.081 0.000 2.117 157 D HA -0.089 4.553 4.640 0.003 0.000 0.197 157 D C 2.774 179.119 176.300 0.076 0.000 0.987 157 D CA 0.845 54.907 54.000 0.104 0.000 0.829 157 D CB -0.548 40.324 40.800 0.120 0.000 0.961 157 D HN 0.219 nan 8.370 nan 0.000 0.460 158 V N 1.286 121.234 119.914 0.056 0.000 2.332 158 V HA -0.233 3.889 4.120 0.003 0.000 0.248 158 V C 2.519 178.624 176.094 0.019 0.000 1.055 158 V CA 1.083 63.407 62.300 0.041 0.000 1.038 158 V CB -0.411 31.425 31.823 0.022 0.000 0.651 158 V HN 0.154 nan 8.190 nan 0.000 0.450 159 I N 0.612 121.184 120.570 0.004 0.000 2.151 159 I HA -0.315 3.857 4.170 0.003 0.000 0.243 159 I C 2.211 178.293 176.117 -0.058 0.000 1.080 159 I CA 2.281 63.563 61.300 -0.030 0.000 1.339 159 I CB -0.694 37.285 38.000 -0.036 0.000 1.039 159 I HN 0.406 nan 8.210 nan 0.000 0.409 160 N N 0.489 119.192 118.700 0.005 0.000 2.104 160 N HA -0.217 4.524 4.740 0.003 0.000 0.190 160 N C 1.422 176.942 175.510 0.017 0.000 1.024 160 N CA 1.465 54.568 53.050 0.088 0.000 0.853 160 N CB -0.151 38.488 38.487 0.254 0.000 1.008 160 N HN 0.342 nan 8.380 nan 0.000 0.424 161 D N 0.929 121.332 120.400 0.005 0.000 2.104 161 D HA -0.114 4.528 4.640 0.003 0.000 0.194 161 D C 2.033 178.305 176.300 -0.046 0.000 0.994 161 D CA 0.825 54.820 54.000 -0.008 0.000 0.830 161 D CB -0.327 40.500 40.800 0.044 0.000 0.959 161 D HN 0.266 nan 8.370 nan 0.000 0.452 162 L N 0.140 121.346 121.223 -0.029 0.000 2.093 162 L HA -0.142 4.200 4.340 0.003 0.000 0.208 162 L C 2.292 179.113 176.870 -0.082 0.000 1.085 162 L CA 0.347 55.205 54.840 0.029 0.000 0.755 162 L CB -0.150 41.949 42.059 0.067 0.000 0.904 162 L HN 0.086 nan 8.230 nan 0.000 0.435 163 L N -0.256 120.794 121.223 -0.288 0.000 2.156 163 L HA -0.073 4.268 4.340 0.003 0.000 0.208 163 L C 2.814 179.370 176.870 -0.523 0.000 1.095 163 L CA 1.817 56.299 54.840 -0.597 0.000 0.770 163 L CB -1.557 39.718 42.059 -1.307 0.000 0.914 163 L HN 0.175 nan 8.230 nan 0.000 0.439 164 A N -0.502 122.149 122.820 -0.281 0.000 1.978 164 A HA -0.161 4.161 4.320 0.003 0.000 0.220 164 A C 2.402 179.896 177.584 -0.151 0.000 1.170 164 A CA 1.955 53.979 52.037 -0.022 0.000 0.636 164 A CB -0.452 18.558 19.000 0.016 0.000 0.810 164 A HN 0.408 nan 8.150 nan 0.000 0.448 165 A N -2.404 120.209 122.820 -0.346 0.000 1.956 165 A HA 0.425 4.747 4.320 0.003 0.000 0.212 165 A C 1.369 178.447 177.584 -0.843 0.000 1.188 165 A CA 0.970 52.601 52.037 -0.677 0.000 0.675 165 A CB -0.073 18.252 19.000 -1.126 0.000 0.845 165 A HN 0.456 nan 8.150 nan 0.000 0.455 166 F N -1.194 118.660 119.950 -0.161 0.000 2.746 166 F HA 0.361 4.889 4.527 0.003 0.000 0.320 166 F C 1.457 177.176 175.800 -0.136 0.000 1.097 166 F CA -0.357 57.538 58.000 -0.174 0.000 1.195 166 F CB -0.010 38.850 39.000 -0.233 0.000 1.056 166 F HN 0.230 nan 8.300 nan 0.000 0.562 167 G N 0.223 109.000 108.800 -0.038 0.000 2.849 167 G HA2 0.454 4.415 3.960 0.003 0.000 0.174 167 G HA3 0.454 4.415 3.960 0.003 0.000 0.174 167 G C -2.314 172.601 174.900 0.025 0.000 1.370 167 G CA -1.102 43.967 45.100 -0.050 0.000 1.040 167 G HN -0.182 nan 8.290 nan 0.000 0.582 168 P HA 0.130 nan 4.420 nan 0.000 0.265 168 P C 0.568 177.941 177.300 0.122 0.000 1.187 168 P CA -0.106 63.066 63.100 0.119 0.000 0.766 168 P CB 1.030 32.838 31.700 0.179 0.000 0.820 169 K N 2.291 122.741 120.400 0.083 0.000 2.059 169 K HA -0.211 4.110 4.320 0.003 0.000 0.212 169 K C 0.635 177.281 176.600 0.076 0.000 1.050 169 K CA 1.997 58.323 56.287 0.065 0.000 0.927 169 K CB -0.431 32.096 32.500 0.045 0.000 0.714 169 K HN 0.266 nan 8.250 nan 0.000 0.447 170 D N -0.440 120.010 120.400 0.083 0.000 2.370 170 D HA -0.010 4.631 4.640 0.003 0.000 0.230 170 D C 0.697 177.058 176.300 0.102 0.000 1.143 170 D CA -0.018 54.023 54.000 0.069 0.000 0.834 170 D CB -0.092 40.728 40.800 0.033 0.000 0.944 170 D HN 0.332 nan 8.370 nan 0.000 0.504 171 Y N 1.923 122.249 120.300 0.044 0.000 2.145 171 Y HA -0.259 4.293 4.550 0.003 0.000 0.286 171 Y C 2.272 178.237 175.900 0.109 0.000 1.145 171 Y CA 2.050 60.201 58.100 0.086 0.000 1.148 171 Y CB 0.078 38.584 38.460 0.076 0.000 0.981 171 Y HN 0.044 nan 8.280 nan 0.000 0.507 172 A N 0.494 123.452 122.820 0.231 0.000 1.902 172 A HA -0.221 4.101 4.320 0.003 0.000 0.217 172 A C 2.267 179.868 177.584 0.028 0.000 1.181 172 A CA 1.874 53.978 52.037 0.111 0.000 0.623 172 A CB -0.853 18.184 19.000 0.062 0.000 0.818 172 A HN 0.554 nan 8.150 nan 0.000 0.443 173 K N -0.328 120.082 120.400 0.017 0.000 2.074 173 K HA -0.220 4.101 4.320 0.003 0.000 0.209 173 K C 1.311 177.903 176.600 -0.013 0.000 1.048 173 K CA 1.911 58.196 56.287 -0.004 0.000 0.926 173 K CB -0.218 32.279 32.500 -0.005 0.000 0.713 173 K HN 0.449 nan 8.250 nan 0.000 0.444 174 N N -0.317 118.356 118.700 -0.045 0.000 2.422 174 N HA -0.098 4.643 4.740 0.003 0.000 0.181 174 N C 1.278 176.704 175.510 -0.140 0.000 1.080 174 N CA 0.380 53.372 53.050 -0.096 0.000 0.893 174 N CB -0.139 38.276 38.487 -0.119 0.000 0.973 174 N HN 0.285 nan 8.380 nan 0.000 0.456 175 Y N 2.016 122.162 120.300 -0.256 0.000 2.062 175 Y HA -0.316 4.236 4.550 0.003 0.000 0.276 175 Y C 2.147 177.929 175.900 -0.198 0.000 1.189 175 Y CA 1.700 59.668 58.100 -0.220 0.000 1.130 175 Y CB -0.360 38.033 38.460 -0.112 0.000 0.959 175 Y HN -0.180 nan 8.280 nan 0.000 0.499 176 V N -0.038 119.857 119.914 -0.032 0.000 2.453 176 V HA -0.215 3.907 4.120 0.003 0.000 0.247 176 V C 2.616 178.735 176.094 0.043 0.000 1.048 176 V CA 1.721 64.002 62.300 -0.032 0.000 1.049 176 V CB -1.472 30.360 31.823 0.014 0.000 0.672 176 V HN 0.664 nan 8.190 nan 0.000 0.457 177 G N -0.258 108.586 108.800 0.073 0.000 2.476 177 G HA2 -0.247 3.715 3.960 0.003 0.000 0.218 177 G HA3 -0.247 3.715 3.960 0.003 0.000 0.218 177 G C 1.506 176.328 174.900 -0.130 0.000 1.164 177 G CA 0.861 46.002 45.100 0.068 0.000 0.768 177 G HN 0.479 nan 8.290 nan 0.000 0.560 178 E N 0.680 120.633 120.200 -0.413 0.000 2.046 178 E HA 0.037 4.388 4.350 0.003 0.000 0.190 178 E C 2.941 179.046 176.600 -0.824 0.000 0.982 178 E CA 0.999 56.964 56.400 -0.726 0.000 0.800 178 E CB -0.577 28.349 29.700 -1.291 0.000 0.756 178 E HN 0.353 nan 8.360 nan 0.000 0.449 179 A N -0.072 122.183 122.820 -0.941 0.000 1.929 179 A HA -0.053 4.268 4.320 0.003 0.000 0.216 179 A C 1.068 178.118 177.584 -0.891 0.000 1.176 179 A CA 1.051 52.512 52.037 -0.960 0.000 0.628 179 A CB -0.129 18.137 19.000 -1.223 0.000 0.816 179 A HN 0.194 nan 8.150 nan 0.000 0.444 180 F N -1.641 118.259 119.950 -0.084 0.000 2.856 180 F HA 0.306 4.835 4.527 0.003 0.000 0.333 180 F C 1.810 177.659 175.800 0.082 0.000 1.200 180 F CA -0.539 57.461 58.000 0.001 0.000 1.128 180 F CB -0.240 38.741 39.000 -0.031 0.000 1.172 180 F HN 0.156 nan 8.300 nan 0.000 0.511 181 G N 0.787 109.762 108.800 0.291 0.000 2.476 181 G HA2 -0.299 3.663 3.960 0.003 0.000 0.218 181 G HA3 -0.299 3.663 3.960 0.003 0.000 0.218 181 G C 1.734 176.906 174.900 0.452 0.000 1.164 181 G CA 1.245 46.642 45.100 0.496 0.000 0.768 181 G HN 0.243 nan 8.290 nan 0.000 0.560 182 N N 0.354 119.233 118.700 0.299 0.000 2.058 182 N HA -0.099 4.643 4.740 0.003 0.000 0.191 182 N C 2.156 177.840 175.510 0.289 0.000 1.037 182 N CA 1.258 54.483 53.050 0.293 0.000 0.848 182 N CB -0.584 38.069 38.487 0.276 0.000 1.021 182 N HN 0.261 nan 8.380 nan 0.000 0.422 183 L N 1.724 123.105 121.223 0.263 0.000 2.043 183 L HA -0.118 4.224 4.340 0.003 0.000 0.212 183 L C 2.081 178.829 176.870 -0.203 0.000 1.075 183 L CA 1.438 56.179 54.840 -0.165 0.000 0.752 183 L CB -0.684 41.086 42.059 -0.482 0.000 0.891 183 L HN 0.150 nan 8.230 nan 0.000 0.432 184 L N -0.687 120.440 121.223 -0.161 0.000 2.141 184 L HA -0.157 4.185 4.340 0.003 0.000 0.209 184 L C 2.301 179.121 176.870 -0.084 0.000 1.094 184 L CA 0.827 55.469 54.840 -0.331 0.000 0.763 184 L CB -0.738 40.738 42.059 -0.972 0.000 0.908 184 L HN 0.399 nan 8.230 nan 0.000 0.437 185 N N 0.224 119.003 118.700 0.133 0.000 2.166 185 N HA -0.181 4.561 4.740 0.003 0.000 0.186 185 N C 1.344 176.893 175.510 0.065 0.000 1.019 185 N CA 1.391 54.556 53.050 0.191 0.000 0.856 185 N CB -0.221 38.417 38.487 0.253 0.000 0.993 185 N HN 0.331 nan 8.380 nan 0.000 0.426 186 D N 0.532 120.967 120.400 0.058 0.000 2.144 186 D HA -0.067 4.574 4.640 0.003 0.000 0.199 186 D C 2.118 178.412 176.300 -0.009 0.000 0.984 186 D CA 0.438 54.461 54.000 0.038 0.000 0.834 186 D CB -0.278 40.568 40.800 0.077 0.000 0.955 186 D HN 0.024 nan 8.370 nan 0.000 0.465 187 V N 0.787 120.659 119.914 -0.069 0.000 2.295 187 V HA -0.216 3.905 4.120 0.003 0.000 0.246 187 V C 2.694 178.783 176.094 -0.009 0.000 1.049 187 V CA 1.012 63.302 62.300 -0.017 0.000 1.024 187 V CB -0.525 31.270 31.823 -0.047 0.000 0.648 187 V HN 0.054 nan 8.190 nan 0.000 0.447 188 V N 0.479 120.289 119.914 -0.173 0.000 2.252 188 V HA -0.334 3.788 4.120 0.003 0.000 0.249 188 V C 2.751 178.565 176.094 -0.465 0.000 1.056 188 V CA 2.338 64.231 62.300 -0.678 0.000 1.022 188 V CB -1.266 30.138 31.823 -0.699 0.000 0.641 188 V HN 0.578 nan 8.190 nan 0.000 0.445 189 A N -0.800 121.905 122.820 -0.192 0.000 1.940 189 A HA -0.260 4.062 4.320 0.003 0.000 0.219 189 A C 2.115 179.701 177.584 0.003 0.000 1.176 189 A CA 2.157 54.144 52.037 -0.082 0.000 0.631 189 A CB -0.729 18.270 19.000 -0.000 0.000 0.814 189 A HN 0.545 nan 8.150 nan 0.000 0.446 190 F N 0.815 120.705 119.950 -0.099 0.000 2.146 190 F HA -0.004 4.525 4.527 0.003 0.000 0.298 190 F C 2.475 178.250 175.800 -0.042 0.000 1.096 190 F CA 1.026 58.998 58.000 -0.046 0.000 1.275 190 F CB -0.394 38.590 39.000 -0.027 0.000 1.008 190 F HN 0.243 nan 8.300 nan 0.000 0.480 191 A N 0.613 123.417 122.820 -0.027 0.000 1.898 191 A HA -0.131 4.191 4.320 0.003 0.000 0.216 191 A C 2.301 179.834 177.584 -0.084 0.000 1.181 191 A CA 1.392 53.397 52.037 -0.054 0.000 0.620 191 A CB -0.538 18.549 19.000 0.145 0.000 0.819 191 A HN 0.279 nan 8.150 nan 0.000 0.442 192 K N 0.031 120.361 120.400 -0.117 0.000 2.009 192 K HA -0.140 4.182 4.320 0.003 0.000 0.210 192 K C 2.238 178.783 176.600 -0.091 0.000 1.049 192 K CA 1.392 57.635 56.287 -0.073 0.000 0.929 192 K CB -0.912 31.526 32.500 -0.103 0.000 0.714 192 K HN 0.433 nan 8.250 nan 0.000 0.440 193 A N 2.061 124.810 122.820 -0.118 0.000 2.093 193 A HA -0.183 4.139 4.320 0.003 0.000 0.222 193 A C 1.584 179.064 177.584 -0.174 0.000 1.162 193 A CA 1.638 53.601 52.037 -0.123 0.000 0.655 193 A CB -0.338 18.600 19.000 -0.102 0.000 0.805 193 A HN 0.365 nan 8.150 nan 0.000 0.461 194 N N -1.577 116.981 118.700 -0.237 0.000 2.203 194 N HA 0.202 4.944 4.740 0.003 0.000 0.207 194 N C 0.913 176.337 175.510 -0.143 0.000 1.130 194 N CA 0.747 53.657 53.050 -0.234 0.000 0.861 194 N CB 0.709 38.965 38.487 -0.384 0.000 1.005 194 N HN 0.596 nan 8.380 nan 0.000 0.507 195 G N 1.227 109.968 108.800 -0.097 0.000 2.136 195 G HA2 -0.247 3.715 3.960 0.003 0.000 0.242 195 G HA3 -0.247 3.715 3.960 0.003 0.000 0.242 195 G C -0.354 174.529 174.900 -0.028 0.000 0.989 195 G CA -0.055 45.010 45.100 -0.058 0.000 0.682 195 G HN 0.143 nan 8.290 nan 0.000 0.522 196 L N 1.615 122.834 121.223 -0.007 0.000 2.309 196 L HA 0.734 5.076 4.340 0.003 0.000 0.282 196 L C 1.009 177.959 176.870 0.133 0.000 1.036 196 L CA 0.234 55.098 54.840 0.039 0.000 0.806 196 L CB 1.807 43.889 42.059 0.038 0.000 1.220 196 L HN 0.450 nan 8.230 nan 0.000 0.429 197 S N 0.832 116.549 115.700 0.028 0.000 2.718 197 S HA 0.569 5.041 4.470 0.003 0.000 0.292 197 S C 1.182 175.519 174.600 -0.437 0.000 1.125 197 S CA -0.125 57.979 58.200 -0.160 0.000 1.013 197 S CB 0.825 63.922 63.200 -0.172 0.000 1.192 197 S HN 0.676 nan 8.310 nan 0.000 0.535 198 G N 1.038 109.302 108.800 -0.894 0.000 2.418 198 G HA2 -0.233 3.729 3.960 0.003 0.000 0.217 198 G HA3 -0.233 3.729 3.960 0.003 0.000 0.217 198 G C 1.317 176.097 174.900 -0.201 0.000 1.158 198 G CA 1.024 45.711 45.100 -0.688 0.000 0.771 198 G HN 0.932 nan 8.290 nan 0.000 0.545 199 K N 0.307 120.631 120.400 -0.127 0.000 2.362 199 K HA -0.091 4.230 4.320 0.003 0.000 0.202 199 K C 0.807 177.426 176.600 0.032 0.000 1.045 199 K CA 1.609 57.902 56.287 0.009 0.000 0.936 199 K CB -0.060 32.461 32.500 0.035 0.000 0.747 199 K HN 0.147 nan 8.250 nan 0.000 0.467 200 D N 1.275 121.672 120.400 -0.005 0.000 2.325 200 D HA 0.058 4.699 4.640 0.003 0.000 0.225 200 D C -0.462 175.867 176.300 0.049 0.000 1.096 200 D CA 0.166 54.179 54.000 0.022 0.000 0.844 200 D CB 0.543 41.352 40.800 0.016 0.000 0.925 200 D HN 0.006 nan 8.370 nan 0.000 0.513 201 V N 1.850 121.787 119.914 0.038 0.000 2.448 201 V HA 0.275 4.397 4.120 0.003 0.000 0.295 201 V C -0.279 175.772 176.094 -0.071 0.000 1.025 201 V CA -0.990 61.335 62.300 0.042 0.000 0.859 201 V CB 2.280 34.205 31.823 0.169 0.000 0.988 201 V HN -0.058 nan 8.190 nan 0.000 0.431 202 L N 6.870 128.032 121.223 -0.102 0.000 2.296 202 L HA 0.747 5.089 4.340 0.003 0.000 0.286 202 L C -0.568 176.108 176.870 -0.323 0.000 1.023 202 L CA 0.089 54.805 54.840 -0.207 0.000 0.812 202 L CB 1.710 43.685 42.059 -0.140 0.000 1.223 202 L HN 0.447 nan 8.230 nan 0.000 0.421 203 V N 4.586 124.277 119.914 -0.372 0.000 2.409 203 V HA 0.773 4.895 4.120 0.003 0.000 0.291 203 V C -0.040 175.937 176.094 -0.194 0.000 1.020 203 V CA -0.247 61.863 62.300 -0.317 0.000 0.848 203 V CB 1.076 32.700 31.823 -0.331 0.000 0.990 203 V HN 0.900 nan 8.190 nan 0.000 0.430 204 S N 2.334 117.928 115.700 -0.176 0.000 2.705 204 S HA 1.005 5.477 4.470 0.003 0.000 0.280 204 S C -0.360 174.229 174.600 -0.018 0.000 1.174 204 S CA 0.164 58.301 58.200 -0.106 0.000 0.823 204 S CB 2.124 65.234 63.200 -0.149 0.000 1.162 204 S HN 1.646 nan 8.310 nan 0.000 0.487 205 G N 0.657 109.485 108.800 0.046 0.000 2.350 205 G HA2 0.310 4.272 3.960 0.003 0.000 0.304 205 G HA3 0.310 4.272 3.960 0.003 0.000 0.304 205 G C -2.091 172.898 174.900 0.148 0.000 1.421 205 G CA -0.720 44.419 45.100 0.065 0.000 0.934 205 G HN 0.858 nan 8.290 nan 0.000 0.632 206 H N 0.263 119.329 119.070 -0.006 0.000 2.637 206 H HA 0.741 5.298 4.556 0.003 0.000 0.363 206 H C 0.752 176.108 175.328 0.047 0.000 1.131 206 H CA 0.824 56.870 56.048 -0.002 0.000 1.183 206 H CB 1.982 31.739 29.762 -0.008 0.000 1.637 206 H HN 1.546 nan 8.280 nan 0.000 0.531 207 S N 1.996 117.456 115.700 -0.401 0.000 4.116 207 S HA -0.335 4.137 4.470 0.003 0.000 0.623 207 S C 1.514 176.108 174.600 -0.012 0.000 1.933 207 S CA 1.427 59.563 58.200 -0.108 0.000 4.224 207 S CB -1.322 61.979 63.200 0.169 0.000 0.208 207 S HN 0.659 nan 8.310 nan 0.000 0.527 208 L N 2.824 124.073 121.223 0.043 0.000 2.187 208 L HA 0.150 4.492 4.340 0.003 0.000 0.213 208 L C 2.316 179.143 176.870 -0.073 0.000 1.100 208 L CA 3.043 57.851 54.840 -0.054 0.000 0.765 208 L CB -1.302 40.742 42.059 -0.025 0.000 0.904 208 L HN 0.693 nan 8.230 nan 0.000 0.437 209 G N -1.333 107.482 108.800 0.024 0.000 2.421 209 G HA2 -0.114 3.848 3.960 0.003 0.000 0.217 209 G HA3 -0.114 3.848 3.960 0.003 0.000 0.217 209 G C 1.475 176.405 174.900 0.050 0.000 1.143 209 G CA 0.444 45.590 45.100 0.077 0.000 0.784 209 G HN 0.579 nan 8.290 nan 0.000 0.541 210 G N 0.908 109.710 108.800 0.004 0.000 2.402 210 G HA2 -0.135 3.826 3.960 0.003 0.000 0.216 210 G HA3 -0.135 3.826 3.960 0.003 0.000 0.216 210 G C 1.727 176.598 174.900 -0.048 0.000 1.162 210 G CA 0.728 45.819 45.100 -0.015 0.000 0.777 210 G HN 0.424 nan 8.290 nan 0.000 0.539 211 L N 0.780 121.949 121.223 -0.089 0.000 2.013 211 L HA -0.116 4.226 4.340 0.003 0.000 0.212 211 L C 3.143 179.915 176.870 -0.163 0.000 1.073 211 L CA 2.033 56.792 54.840 -0.134 0.000 0.753 211 L CB -0.294 41.648 42.059 -0.195 0.000 0.890 211 L HN 0.271 nan 8.230 nan 0.000 0.432 212 A N -0.770 121.915 122.820 -0.224 0.000 1.908 212 A HA -0.186 4.136 4.320 0.003 0.000 0.218 212 A C 2.208 179.569 177.584 -0.372 0.000 1.181 212 A CA 2.017 53.831 52.037 -0.372 0.000 0.627 212 A CB -1.082 17.506 19.000 -0.687 0.000 0.818 212 A HN 0.364 nan 8.150 nan 0.000 0.445 213 V N 1.094 120.936 119.914 -0.120 0.000 2.287 213 V HA -0.300 3.822 4.120 0.003 0.000 0.248 213 V C 2.318 178.423 176.094 0.019 0.000 1.053 213 V CA 2.194 64.549 62.300 0.092 0.000 1.027 213 V CB -0.911 30.988 31.823 0.127 0.000 0.646 213 V HN 0.596 nan 8.190 nan 0.000 0.447 214 N N -0.208 118.464 118.700 -0.046 0.000 2.188 214 N HA -0.151 4.590 4.740 0.003 0.000 0.184 214 N C 2.173 177.629 175.510 -0.090 0.000 1.018 214 N CA 1.678 54.681 53.050 -0.078 0.000 0.858 214 N CB -0.182 38.271 38.487 -0.057 0.000 0.989 214 N HN 0.502 nan 8.380 nan 0.000 0.426 215 S N 1.268 116.924 115.700 -0.073 0.000 2.356 215 S HA -0.102 4.370 4.470 0.003 0.000 0.223 215 S C 1.997 176.601 174.600 0.007 0.000 1.032 215 S CA 0.861 59.042 58.200 -0.031 0.000 1.005 215 S CB -0.105 63.094 63.200 -0.002 0.000 0.867 215 S HN 0.263 nan 8.310 nan 0.000 0.449 216 M N 0.839 120.440 119.600 0.002 0.000 2.117 216 M HA -0.022 4.460 4.480 0.003 0.000 0.262 216 M C 2.181 178.509 176.300 0.047 0.000 1.065 216 M CA 1.666 57.045 55.300 0.131 0.000 1.114 216 M CB -0.519 32.183 32.600 0.170 0.000 1.361 216 M HN 0.479 nan 8.290 nan 0.000 0.408 217 A N 0.303 122.924 122.820 -0.331 0.000 1.902 217 A HA -0.218 4.104 4.320 0.003 0.000 0.217 217 A C 1.718 179.177 177.584 -0.208 0.000 1.181 217 A CA 2.185 53.822 52.037 -0.667 0.000 0.623 217 A CB -1.033 17.393 19.000 -0.958 0.000 0.818 217 A HN 0.550 nan 8.150 nan 0.000 0.443 218 D N -0.079 120.251 120.400 -0.117 0.000 2.149 218 D HA -0.108 4.534 4.640 0.003 0.000 0.198 218 D C 1.748 178.047 176.300 -0.003 0.000 0.990 218 D CA 1.052 55.023 54.000 -0.049 0.000 0.839 218 D CB -0.230 40.548 40.800 -0.037 0.000 0.948 218 D HN 0.462 nan 8.370 nan 0.000 0.460 219 L N 0.595 121.848 121.223 0.050 0.000 2.492 219 L HA -0.021 4.321 4.340 0.003 0.000 0.223 219 L C 2.244 179.191 176.870 0.129 0.000 1.132 219 L CA 0.412 55.284 54.840 0.053 0.000 0.850 219 L CB -0.148 41.959 42.059 0.080 0.000 0.966 219 L HN 0.020 nan 8.230 nan 0.000 0.454 220 S N -0.719 115.128 115.700 0.246 0.000 2.436 220 S HA -0.041 4.431 4.470 0.003 0.000 0.228 220 S C 2.023 176.792 174.600 0.282 0.000 1.014 220 S CA 0.665 59.118 58.200 0.421 0.000 0.950 220 S CB -0.389 63.084 63.200 0.456 0.000 0.784 220 S HN 0.379 nan 8.310 nan 0.000 0.504 221 G N 1.308 110.195 108.800 0.145 0.000 2.402 221 G HA2 0.168 4.130 3.960 0.003 0.000 0.216 221 G HA3 0.168 4.130 3.960 0.003 0.000 0.216 221 G C 1.328 176.266 174.900 0.063 0.000 1.162 221 G CA 0.618 45.774 45.100 0.093 0.000 0.777 221 G HN 0.649 nan 8.290 nan 0.000 0.539 222 G N -0.397 108.412 108.800 0.015 0.000 2.656 222 G HA2 0.224 4.186 3.960 0.003 0.000 0.211 222 G HA3 0.224 4.186 3.960 0.003 0.000 0.211 222 G C 0.842 175.675 174.900 -0.112 0.000 1.137 222 G CA -0.107 44.967 45.100 -0.042 0.000 0.802 222 G HN 0.336 nan 8.290 nan 0.000 0.527 223 K N -0.773 119.502 120.400 -0.208 0.000 2.168 223 K HA 0.262 4.583 4.320 0.003 0.000 0.239 223 K C -0.096 176.383 176.600 -0.202 0.000 0.999 223 K CA -1.013 54.958 56.287 -0.526 0.000 0.900 223 K CB 1.017 32.723 32.500 -1.323 0.000 1.111 223 K HN 0.215 nan 8.250 nan 0.000 0.452 224 W N -0.001 121.390 121.300 0.151 0.000 5.538 224 W HA -0.221 4.441 4.660 0.003 0.000 0.377 224 W C 0.737 177.322 176.519 0.110 0.000 1.406 224 W CA 1.123 58.564 57.345 0.160 0.000 0.940 224 W CB -2.555 27.107 29.460 0.336 0.000 2.536 224 W HN 1.143 nan 8.180 nan 0.000 1.504 225 G N -1.329 107.568 108.800 0.160 0.000 2.166 225 G HA2 0.030 3.992 3.960 0.003 0.000 0.260 225 G HA3 0.030 3.992 3.960 0.003 0.000 0.260 225 G C 1.229 176.225 174.900 0.161 0.000 0.986 225 G CA 1.317 46.494 45.100 0.128 0.000 0.683 225 G HN 1.792 nan 8.290 nan 0.000 0.527 226 G N -1.408 107.517 108.800 0.208 0.000 2.155 226 G HA2 -0.241 3.721 3.960 0.003 0.000 0.257 226 G HA3 -0.241 3.721 3.960 0.003 0.000 0.257 226 G C 0.942 175.965 174.900 0.206 0.000 0.983 226 G CA 1.063 46.283 45.100 0.200 0.000 0.676 226 G HN 1.554 nan 8.290 nan 0.000 0.528 227 F N 0.308 120.283 119.950 0.041 0.000 2.171 227 F HA 0.187 4.716 4.527 0.003 0.000 0.300 227 F C 1.930 177.631 175.800 -0.166 0.000 1.090 227 F CA 1.836 59.744 58.000 -0.152 0.000 1.293 227 F CB -0.106 38.670 39.000 -0.373 0.000 1.013 227 F HN 0.152 nan 8.300 nan 0.000 0.486 228 F N -0.098 120.024 119.950 0.287 0.000 2.732 228 F HA 0.305 4.834 4.527 0.003 0.000 0.303 228 F C 2.115 178.060 175.800 0.241 0.000 1.110 228 F CA 0.345 58.469 58.000 0.206 0.000 1.355 228 F CB -1.219 37.981 39.000 0.332 0.000 1.081 228 F HN 0.040 nan 8.300 nan 0.000 0.565 229 A N -0.307 122.692 122.820 0.297 0.000 1.972 229 A HA -0.166 4.155 4.320 0.003 0.000 0.219 229 A C 1.672 179.396 177.584 0.233 0.000 1.169 229 A CA 1.873 54.060 52.037 0.249 0.000 0.635 229 A CB -0.389 18.698 19.000 0.145 0.000 0.810 229 A HN 0.191 nan 8.150 nan 0.000 0.446 230 D N -0.162 120.326 120.400 0.146 0.000 2.388 230 D HA 0.194 4.835 4.640 0.003 0.000 0.221 230 D C 0.060 176.447 176.300 0.144 0.000 1.133 230 D CA 0.085 54.154 54.000 0.116 0.000 0.831 230 D CB 0.298 41.110 40.800 0.020 0.000 0.962 230 D HN 0.225 nan 8.370 nan 0.000 0.502 231 S N 0.964 116.780 115.700 0.194 0.000 2.608 231 S HA 0.159 4.631 4.470 0.003 0.000 0.261 231 S C 0.527 175.139 174.600 0.019 0.000 1.314 231 S CA -0.378 57.841 58.200 0.031 0.000 0.992 231 S CB 0.692 63.815 63.200 -0.129 0.000 0.935 231 S HN 0.160 nan 8.310 nan 0.000 0.564 232 N N 1.422 120.053 118.700 -0.114 0.000 2.422 232 N HA 0.270 5.012 4.740 0.003 0.000 0.266 232 N C -1.604 173.718 175.510 -0.314 0.000 1.007 232 N CA 0.035 53.110 53.050 0.041 0.000 0.941 232 N CB 0.674 39.184 38.487 0.039 0.000 1.115 232 N HN 0.474 nan 8.380 nan 0.000 0.492 233 Y N 1.897 122.217 120.300 0.033 0.000 2.338 233 Y HA 0.496 5.048 4.550 0.003 0.000 0.328 233 Y C 0.109 175.863 175.900 -0.244 0.000 0.965 233 Y CA -0.613 57.451 58.100 -0.059 0.000 1.208 233 Y CB 1.209 39.706 38.460 0.061 0.000 1.132 233 Y HN 0.295 nan 8.280 nan 0.000 0.469 234 I N 3.413 123.861 120.570 -0.202 0.000 2.439 234 I HA 0.678 4.850 4.170 0.003 0.000 0.285 234 I C -0.524 175.356 176.117 -0.396 0.000 1.021 234 I CA -0.779 60.303 61.300 -0.363 0.000 1.091 234 I CB 1.552 39.254 38.000 -0.496 0.000 1.242 234 I HN 0.650 nan 8.210 nan 0.000 0.439 235 A N 6.161 128.751 122.820 -0.383 0.000 2.331 235 A HA 0.781 5.102 4.320 0.003 0.000 0.320 235 A C -1.514 175.786 177.584 -0.473 0.000 1.138 235 A CA -0.341 51.523 52.037 -0.289 0.000 0.790 235 A CB 0.638 19.590 19.000 -0.080 0.000 1.206 235 A HN 0.567 nan 8.150 nan 0.000 0.470 236 Y N 1.110 121.337 120.300 -0.122 0.000 2.341 236 Y HA 0.472 5.024 4.550 0.003 0.000 0.337 236 Y C 1.028 176.738 175.900 -0.317 0.000 1.014 236 Y CA 0.303 58.268 58.100 -0.226 0.000 1.111 236 Y CB 1.849 40.135 38.460 -0.291 0.000 1.194 236 Y HN 1.342 nan 8.280 nan 0.000 0.462 237 A N 1.934 124.666 122.820 -0.147 0.000 2.822 237 A HA -0.230 4.092 4.320 0.003 0.000 0.287 237 A C 0.640 178.285 177.584 0.102 0.000 1.479 237 A CA 0.838 52.840 52.037 -0.058 0.000 0.779 237 A CB -1.842 16.839 19.000 -0.533 0.000 1.022 237 A HN 0.606 nan 8.150 nan 0.000 0.532 238 S N 0.153 115.965 115.700 0.187 0.000 2.531 238 S HA 0.470 4.941 4.470 0.003 0.000 0.279 238 S C -0.225 174.404 174.600 0.049 0.000 1.305 238 S CA -0.759 57.483 58.200 0.070 0.000 1.058 238 S CB 0.726 63.949 63.200 0.039 0.000 0.899 238 S HN 0.397 nan 8.310 nan 0.000 0.493 239 P HA 0.022 nan 4.420 nan 0.000 0.223 239 P C 0.487 177.708 177.300 -0.133 0.000 1.151 239 P CA 0.759 63.789 63.100 -0.117 0.000 0.787 239 P CB -0.310 31.314 31.700 -0.127 0.000 0.788 240 T N -2.853 111.645 114.554 -0.092 0.000 2.932 240 T HA 0.633 4.984 4.350 0.003 0.000 0.289 240 T C -0.681 173.979 174.700 -0.066 0.000 1.039 240 T CA -0.726 61.322 62.100 -0.086 0.000 1.024 240 T CB 1.803 70.629 68.868 -0.070 0.000 1.090 240 T HN -0.200 nan 8.240 nan 0.000 0.496 241 Q N 1.056 120.818 119.800 -0.063 0.000 2.337 241 Q HA 0.607 4.949 4.340 0.003 0.000 0.270 241 Q C -0.152 175.824 176.000 -0.040 0.000 1.043 241 Q CA -0.631 55.146 55.803 -0.043 0.000 0.794 241 Q CB 1.955 30.667 28.738 -0.044 0.000 1.281 241 Q HN 0.831 nan 8.270 nan 0.000 0.446 242 S N 0.988 116.665 115.700 -0.039 0.000 2.559 242 S HA 0.010 4.481 4.470 0.003 0.000 0.282 242 S C 0.607 175.188 174.600 -0.033 0.000 1.336 242 S CA 0.035 58.208 58.200 -0.045 0.000 1.037 242 S CB 0.427 63.585 63.200 -0.071 0.000 0.853 242 S HN 0.642 nan 8.310 nan 0.000 0.523 243 S N 1.544 117.225 115.700 -0.032 0.000 2.522 243 S HA 0.054 4.525 4.470 0.003 0.000 0.227 243 S C 1.058 175.645 174.600 -0.020 0.000 0.986 243 S CA 0.699 58.885 58.200 -0.023 0.000 0.929 243 S CB -0.410 62.778 63.200 -0.020 0.000 0.769 243 S HN 0.962 nan 8.310 nan 0.000 0.529 244 T N 0.771 115.308 114.554 -0.028 0.000 2.814 244 T HA 0.251 4.603 4.350 0.003 0.000 0.284 244 T C 0.209 174.906 174.700 -0.006 0.000 0.998 244 T CA -0.319 61.768 62.100 -0.022 0.000 0.935 244 T CB 0.700 69.544 68.868 -0.040 0.000 1.167 244 T HN 0.140 nan 8.240 nan 0.000 0.545 245 D N -1.744 118.659 120.400 0.005 0.000 2.424 245 D HA 0.164 4.805 4.640 0.003 0.000 0.220 245 D C 0.932 177.263 176.300 0.052 0.000 1.150 245 D CA -0.329 53.684 54.000 0.022 0.000 0.831 245 D CB -0.038 40.767 40.800 0.008 0.000 0.981 245 D HN 0.636 nan 8.370 nan 0.000 0.500 246 K N -0.164 120.270 120.400 0.058 0.000 2.400 246 K HA 0.153 4.475 4.320 0.003 0.000 0.194 246 K C -0.016 176.777 176.600 0.321 0.000 1.033 246 K CA 0.209 56.584 56.287 0.147 0.000 1.021 246 K CB 1.111 33.641 32.500 0.050 0.000 0.808 246 K HN 0.040 nan 8.250 nan 0.000 0.505 247 V N 2.348 122.394 119.914 0.220 0.000 2.448 247 V HA 0.195 4.316 4.120 0.003 0.000 0.295 247 V C -0.776 175.460 176.094 0.236 0.000 1.025 247 V CA -1.044 61.392 62.300 0.226 0.000 0.859 247 V CB 1.630 33.497 31.823 0.073 0.000 0.988 247 V HN 0.046 nan 8.190 nan 0.000 0.431 248 L N 5.129 126.478 121.223 0.209 0.000 2.268 248 L HA 0.471 4.812 4.340 0.003 0.000 0.289 248 L C 0.017 176.915 176.870 0.047 0.000 1.064 248 L CA 0.265 55.200 54.840 0.158 0.000 0.824 248 L CB 0.261 42.391 42.059 0.117 0.000 1.202 248 L HN 0.642 nan 8.230 nan 0.000 0.433 249 N N 3.863 122.637 118.700 0.123 0.000 2.469 249 N HA 0.356 5.098 4.740 0.003 0.000 0.239 249 N C -1.079 174.593 175.510 0.270 0.000 1.053 249 N CA -0.332 52.820 53.050 0.170 0.000 0.937 249 N CB 1.117 39.735 38.487 0.217 0.000 1.163 249 N HN 0.380 nan 8.380 nan 0.000 0.509 250 V N 1.433 121.373 119.914 0.043 0.000 2.427 250 V HA 0.860 4.982 4.120 0.003 0.000 0.286 250 V C 0.794 176.673 176.094 -0.358 0.000 1.034 250 V CA -0.466 61.837 62.300 0.005 0.000 0.893 250 V CB 1.245 33.094 31.823 0.043 0.000 0.982 250 V HN 0.730 nan 8.190 nan 0.000 0.452 251 G N 2.702 110.986 108.800 -0.860 0.000 2.576 251 G HA2 0.514 4.476 3.960 0.003 0.000 0.290 251 G HA3 0.514 4.476 3.960 0.003 0.000 0.290 251 G C -2.030 172.394 174.900 -0.794 0.000 1.442 251 G CA -0.669 43.644 45.100 -1.313 0.000 0.792 251 G HN 0.304 nan 8.290 nan 0.000 0.491 252 Y N 1.035 121.132 120.300 -0.339 0.000 2.335 252 Y HA 0.243 4.794 4.550 0.002 0.000 0.331 252 Y C 1.966 177.962 175.900 0.160 0.000 1.094 252 Y CA -0.067 57.956 58.100 -0.128 0.000 1.253 252 Y CB 1.689 40.020 38.460 -0.216 0.000 1.203 252 Y HN 0.853 nan 8.280 nan 0.000 0.508 253 E N 2.050 122.477 120.200 0.377 0.000 2.204 253 E HA -0.247 4.104 4.350 0.003 0.000 0.195 253 E C 0.699 177.455 176.600 0.260 0.000 0.990 253 E CA 1.596 58.213 56.400 0.363 0.000 0.821 253 E CB -0.037 29.827 29.700 0.272 0.000 0.750 253 E HN 0.797 nan 8.360 nan 0.000 0.477 254 N N 1.068 119.893 118.700 0.207 0.000 2.383 254 N HA -0.082 4.659 4.740 0.003 0.000 0.192 254 N C -0.274 175.471 175.510 0.393 0.000 1.141 254 N CA 0.230 53.428 53.050 0.246 0.000 0.851 254 N CB -0.091 38.511 38.487 0.190 0.000 0.976 254 N HN 0.071 nan 8.380 nan 0.000 0.465 255 D N 2.441 123.061 120.400 0.365 0.000 2.336 255 D HA 0.123 4.765 4.640 0.003 0.000 0.249 255 D C -1.464 175.002 176.300 0.278 0.000 1.213 255 D CA -2.151 52.033 54.000 0.306 0.000 0.870 255 D CB 1.563 42.626 40.800 0.439 0.000 1.076 255 D HN 0.060 nan 8.370 nan 0.000 0.483 256 P HA -0.091 nan 4.420 nan 0.000 0.230 256 P C 1.231 178.509 177.300 -0.035 0.000 1.158 256 P CA 0.254 63.305 63.100 -0.082 0.000 0.769 256 P CB 0.517 31.867 31.700 -0.583 0.000 0.807 257 V N -0.738 118.975 119.914 -0.334 0.000 2.649 257 V HA -0.048 4.073 4.120 0.003 0.000 0.248 257 V C 1.357 177.429 176.094 -0.038 0.000 1.054 257 V CA 0.383 62.445 62.300 -0.397 0.000 1.073 257 V CB -1.202 30.073 31.823 -0.914 0.000 0.699 257 V HN -0.010 nan 8.190 nan 0.000 0.463 258 F N 2.544 122.506 119.950 0.020 0.000 2.533 258 F HA 0.317 4.846 4.527 0.003 0.000 0.378 258 F C 1.258 177.131 175.800 0.122 0.000 1.070 258 F CA -0.621 57.437 58.000 0.095 0.000 1.172 258 F CB -0.632 38.490 39.000 0.203 0.000 1.085 258 F HN 0.171 nan 8.300 nan 0.000 0.552 259 R N 2.346 122.639 120.500 -0.345 0.000 3.878 259 R HA -0.246 4.095 4.340 0.003 0.000 0.330 259 R C 1.253 177.258 176.300 -0.491 0.000 1.186 259 R CA 0.568 56.417 56.100 -0.417 0.000 0.885 259 R CB -2.196 27.791 30.300 -0.522 0.000 1.377 259 R HN 0.695 nan 8.270 nan 0.000 0.523 260 A N 0.718 123.148 122.820 -0.650 0.000 1.940 260 A HA -0.036 4.286 4.320 0.003 0.000 0.219 260 A C 1.119 178.364 177.584 -0.566 0.000 1.176 260 A CA 1.085 52.505 52.037 -1.029 0.000 0.631 260 A CB -0.017 18.676 19.000 -0.511 0.000 0.814 260 A HN 0.278 nan 8.150 nan 0.000 0.446 261 L N -0.572 120.448 121.223 -0.338 0.000 2.360 261 L HA 0.426 4.767 4.340 0.003 0.000 0.271 261 L C -0.725 176.035 176.870 -0.184 0.000 1.057 261 L CA -0.770 53.939 54.840 -0.217 0.000 0.803 261 L CB 1.244 43.217 42.059 -0.144 0.000 1.207 261 L HN 0.113 nan 8.230 nan 0.000 0.445 262 D N 0.519 120.838 120.400 -0.135 0.000 2.441 262 D HA 0.259 4.901 4.640 0.003 0.000 0.231 262 D C 1.041 177.301 176.300 -0.067 0.000 1.073 262 D CA -0.341 53.600 54.000 -0.100 0.000 0.850 262 D CB 1.940 42.689 40.800 -0.085 0.000 1.062 262 D HN 0.594 nan 8.370 nan 0.000 0.524 263 G N 2.495 111.260 108.800 -0.059 0.000 2.550 263 G HA2 -0.256 3.705 3.960 0.003 0.000 0.222 263 G HA3 -0.256 3.705 3.960 0.003 0.000 0.222 263 G C 0.972 175.835 174.900 -0.062 0.000 1.113 263 G CA 1.347 46.409 45.100 -0.063 0.000 0.748 263 G HN 0.606 nan 8.290 nan 0.000 0.585 264 S N -1.451 114.220 115.700 -0.048 0.000 2.937 264 S HA 0.305 4.776 4.470 0.003 0.000 0.252 264 S C 0.167 174.740 174.600 -0.045 0.000 1.022 264 S CA -0.167 58.004 58.200 -0.048 0.000 1.079 264 S CB 0.496 63.680 63.200 -0.026 0.000 1.035 264 S HN 0.028 nan 8.310 nan 0.000 0.594 265 T N 2.805 117.334 114.554 -0.042 0.000 2.806 265 T HA 0.447 4.798 4.350 0.003 0.000 0.290 265 T C -0.840 173.850 174.700 -0.018 0.000 0.966 265 T CA -0.265 61.825 62.100 -0.017 0.000 1.060 265 T CB 0.484 69.346 68.868 -0.010 0.000 0.927 265 T HN 0.387 nan 8.240 nan 0.000 0.485 266 F N 4.429 124.291 119.950 -0.146 0.000 2.424 266 F HA 0.445 4.974 4.527 0.003 0.000 0.356 266 F C 0.862 176.633 175.800 -0.048 0.000 1.110 266 F CA -0.335 57.575 58.000 -0.151 0.000 1.161 266 F CB 0.437 39.278 39.000 -0.265 0.000 1.115 266 F HN 0.645 nan 8.300 nan 0.000 0.507 267 T N 1.416 115.683 114.554 -0.478 0.000 2.883 267 T HA 0.488 4.840 4.350 0.003 0.000 0.284 267 T C 1.134 175.572 174.700 -0.435 0.000 1.041 267 T CA -0.348 61.577 62.100 -0.291 0.000 1.007 267 T CB 1.114 69.884 68.868 -0.163 0.000 1.220 267 T HN 0.586 nan 8.240 nan 0.000 0.552 268 G N 0.201 108.893 108.800 -0.179 0.000 2.469 268 G HA2 -0.066 3.896 3.960 0.003 0.000 0.219 268 G HA3 -0.066 3.896 3.960 0.003 0.000 0.219 268 G C 1.682 176.507 174.900 -0.125 0.000 1.150 268 G CA 0.913 45.944 45.100 -0.115 0.000 0.763 268 G HN 1.182 nan 8.290 nan 0.000 0.561 269 A N 0.579 123.338 122.820 -0.102 0.000 2.125 269 A HA 0.092 4.413 4.320 0.003 0.000 0.219 269 A C 2.621 180.209 177.584 0.007 0.000 1.156 269 A CA 1.940 53.967 52.037 -0.017 0.000 0.671 269 A CB -0.409 18.605 19.000 0.023 0.000 0.794 269 A HN 0.304 nan 8.150 nan 0.000 0.459 270 S N -0.417 115.132 115.700 -0.252 0.000 2.387 270 S HA -0.162 4.310 4.470 0.003 0.000 0.230 270 S C 1.695 176.273 174.600 -0.036 0.000 1.035 270 S CA 1.721 59.731 58.200 -0.317 0.000 1.014 270 S CB -0.519 62.195 63.200 -0.809 0.000 0.836 270 S HN 1.040 nan 8.310 nan 0.000 0.466 271 V N -1.439 118.464 119.914 -0.019 0.000 3.596 271 V HA 0.585 4.707 4.120 0.003 0.000 0.289 271 V C 0.753 176.925 176.094 0.130 0.000 1.336 271 V CA 0.476 62.846 62.300 0.118 0.000 1.137 271 V CB -0.212 31.717 31.823 0.177 0.000 0.966 271 V HN 0.325 nan 8.190 nan 0.000 0.428 272 G N 0.000 108.896 108.800 0.160 0.000 3.340 272 G HA2 0.505 4.467 3.960 0.003 0.000 0.176 272 G HA3 0.505 4.467 3.960 0.003 0.000 0.176 272 G C -0.729 174.330 174.900 0.264 0.000 1.103 272 G CA -0.204 45.014 45.100 0.196 0.000 0.779 272 G HN 0.126 nan 8.290 nan 0.000 0.673 273 V N 1.776 121.807 119.914 0.195 0.000 2.461 273 V HA 0.390 4.512 4.120 0.003 0.000 0.275 273 V C -0.582 175.497 176.094 -0.026 0.000 1.047 273 V CA -0.233 62.084 62.300 0.029 0.000 0.955 273 V CB 0.536 32.319 31.823 -0.068 0.000 0.988 273 V HN 0.790 nan 8.190 nan 0.000 0.471 274 H N 0.370 119.492 119.070 0.087 0.000 2.379 274 H HA 0.511 5.069 4.556 0.003 0.000 0.229 274 H C -0.439 174.880 175.328 -0.014 0.000 1.423 274 H CA -0.741 55.311 56.048 0.007 0.000 1.375 274 H CB 0.219 29.964 29.762 -0.028 0.000 1.592 274 H HN 0.497 nan 8.280 nan 0.000 0.507 275 D N 1.418 121.827 120.400 0.015 0.000 2.593 275 D HA 0.291 4.932 4.640 0.003 0.000 0.241 275 D C 0.483 176.796 176.300 0.022 0.000 1.257 275 D CA -0.294 53.713 54.000 0.011 0.000 0.828 275 D CB 0.060 40.846 40.800 -0.023 0.000 1.049 275 D HN 0.700 nan 8.370 nan 0.000 0.490 276 A N 1.145 123.976 122.820 0.018 0.000 2.498 276 A HA 0.384 4.706 4.320 0.003 0.000 0.239 276 A C -2.118 175.473 177.584 0.012 0.000 1.068 276 A CA -0.775 51.269 52.037 0.012 0.000 0.766 276 A CB -0.091 18.912 19.000 0.003 0.000 1.003 276 A HN 0.176 nan 8.150 nan 0.000 0.497 277 P HA 0.152 nan 4.420 nan 0.000 0.264 277 P C -0.644 176.662 177.300 0.011 0.000 1.183 277 P CA 0.533 63.650 63.100 0.028 0.000 0.763 277 P CB 0.339 32.059 31.700 0.033 0.000 0.807 278 K N 2.327 122.734 120.400 0.012 0.000 2.397 278 K HA 0.151 4.473 4.320 0.003 0.000 0.253 278 K C 0.868 177.483 176.600 0.025 0.000 0.932 278 K CA -0.635 55.651 56.287 -0.001 0.000 0.795 278 K CB 1.856 34.331 32.500 -0.041 0.000 1.159 278 K HN 0.317 nan 8.250 nan 0.000 0.424 279 E N 1.131 121.344 120.200 0.022 0.000 2.085 279 E HA -0.167 4.185 4.350 0.003 0.000 0.194 279 E C 1.448 178.082 176.600 0.057 0.000 0.994 279 E CA 1.961 58.382 56.400 0.035 0.000 0.801 279 E CB 0.166 29.880 29.700 0.023 0.000 0.743 279 E HN 0.666 nan 8.360 nan 0.000 0.453 280 S N -0.458 115.275 115.700 0.055 0.000 2.515 280 S HA 0.151 4.622 4.470 0.003 0.000 0.231 280 S C 0.766 175.443 174.600 0.128 0.000 0.987 280 S CA 0.367 58.620 58.200 0.087 0.000 0.936 280 S CB 0.122 63.362 63.200 0.068 0.000 0.766 280 S HN 0.263 nan 8.310 nan 0.000 0.528 281 A N 2.061 124.956 122.820 0.125 0.000 2.324 281 A HA 0.627 4.948 4.320 0.003 0.000 0.330 281 A C 0.305 178.030 177.584 0.235 0.000 1.165 281 A CA -0.500 51.663 52.037 0.209 0.000 0.813 281 A CB 0.767 19.832 19.000 0.109 0.000 1.197 281 A HN 0.470 nan 8.150 nan 0.000 0.484 282 T N 0.059 114.808 114.554 0.326 0.000 2.751 282 T HA 0.194 4.546 4.350 0.003 0.000 0.290 282 T C -0.163 174.734 174.700 0.327 0.000 0.919 282 T CA -0.209 62.049 62.100 0.263 0.000 1.136 282 T CB 0.403 69.416 68.868 0.241 0.000 0.875 282 T HN 0.512 nan 8.240 nan 0.000 0.532 283 D N 2.561 123.094 120.400 0.223 0.000 2.354 283 D HA 0.006 4.648 4.640 0.003 0.000 0.209 283 D C 0.478 176.917 176.300 0.232 0.000 1.015 283 D CA 0.268 54.405 54.000 0.228 0.000 0.867 283 D CB 0.318 41.204 40.800 0.143 0.000 0.933 283 D HN 0.575 nan 8.370 nan 0.000 0.520 284 N N 0.539 119.348 118.700 0.181 0.000 2.466 284 N HA 0.186 4.927 4.740 0.003 0.000 0.272 284 N C -0.366 175.180 175.510 0.059 0.000 1.455 284 N CA -0.065 53.055 53.050 0.117 0.000 0.875 284 N CB 1.632 40.152 38.487 0.055 0.000 1.372 284 N HN 0.123 nan 8.380 nan 0.000 0.492 285 I N 1.127 121.777 120.570 0.134 0.000 2.321 285 I HA 0.327 4.499 4.170 0.003 0.000 0.291 285 I C -0.081 176.163 176.117 0.212 0.000 0.998 285 I CA -0.855 60.530 61.300 0.142 0.000 1.227 285 I CB 1.677 39.755 38.000 0.131 0.000 1.368 285 I HN -0.344 nan 8.210 nan 0.000 0.466 286 V N 4.962 124.942 119.914 0.111 0.000 2.435 286 V HA 0.216 4.337 4.120 0.003 0.000 0.290 286 V C 0.346 176.309 176.094 -0.218 0.000 1.030 286 V CA -0.450 61.806 62.300 -0.074 0.000 0.881 286 V CB 1.818 33.537 31.823 -0.174 0.000 0.983 286 V HN 0.793 nan 8.190 nan 0.000 0.445 287 S N 5.247 120.591 115.700 -0.593 0.000 2.399 287 S HA 0.388 4.859 4.470 0.003 0.000 0.301 287 S C -0.623 173.702 174.600 -0.459 0.000 1.093 287 S CA -0.449 57.248 58.200 -0.839 0.000 1.077 287 S CB -0.263 62.067 63.200 -1.449 0.000 0.980 287 S HN 0.545 nan 8.310 nan 0.000 0.494 288 F N 7.419 127.183 119.950 -0.309 0.000 2.451 288 F HA 0.361 4.890 4.527 0.002 0.000 0.356 288 F C 0.271 176.087 175.800 0.028 0.000 1.178 288 F CA -0.685 57.249 58.000 -0.110 0.000 1.210 288 F CB -0.087 38.921 39.000 0.015 0.000 1.504 288 F HN 0.722 nan 8.300 nan 0.000 0.598 289 N N 1.244 119.915 118.700 -0.048 0.000 2.592 289 N HA 0.261 5.002 4.740 0.003 0.000 0.292 289 N C 0.265 175.835 175.510 0.100 0.000 1.260 289 N CA -0.734 52.368 53.050 0.087 0.000 0.910 289 N CB 0.391 38.848 38.487 -0.051 0.000 1.257 289 N HN 0.126 nan 8.380 nan 0.000 0.569 290 D N -1.715 118.844 120.400 0.265 0.000 2.178 290 D HA -0.172 4.470 4.640 0.003 0.000 0.202 290 D C 1.319 177.767 176.300 0.247 0.000 0.974 290 D CA 1.198 55.363 54.000 0.275 0.000 0.841 290 D CB -0.351 40.691 40.800 0.403 0.000 0.953 290 D HN 0.627 nan 8.370 nan 0.000 0.478 291 H N -0.430 118.674 119.070 0.056 0.000 2.299 291 H HA -0.178 4.380 4.556 0.003 0.000 0.302 291 H C 1.967 177.337 175.328 0.070 0.000 1.078 291 H CA 1.332 57.379 56.048 -0.002 0.000 1.323 291 H CB -0.542 29.062 29.762 -0.263 0.000 1.381 291 H HN 0.176 nan 8.280 nan 0.000 0.498 292 Y N 1.199 121.500 120.300 0.001 0.000 2.151 292 Y HA -0.253 4.299 4.550 0.002 0.000 0.284 292 Y C 2.706 178.425 175.900 -0.302 0.000 1.166 292 Y CA 2.194 60.212 58.100 -0.136 0.000 1.163 292 Y CB -0.629 37.666 38.460 -0.275 0.000 0.974 292 Y HN 0.321 nan 8.280 nan 0.000 0.511 293 A N -1.094 121.528 122.820 -0.329 0.000 2.066 293 A HA 0.018 4.340 4.320 0.003 0.000 0.218 293 A C 1.450 178.988 177.584 -0.076 0.000 1.157 293 A CA 0.809 52.658 52.037 -0.312 0.000 0.670 293 A CB -0.718 18.199 19.000 -0.138 0.000 0.804 293 A HN 0.319 nan 8.150 nan 0.000 0.453 294 S N -0.641 115.049 115.700 -0.017 0.000 2.489 294 S HA 0.307 4.779 4.470 0.003 0.000 0.277 294 S C 1.157 175.770 174.600 0.021 0.000 1.230 294 S CA 0.127 58.377 58.200 0.083 0.000 1.053 294 S CB 0.732 64.111 63.200 0.298 0.000 0.955 294 S HN 0.379 nan 8.310 nan 0.000 0.488 295 T N 5.201 119.767 114.554 0.020 0.000 2.737 295 T HA -0.041 4.310 4.350 0.003 0.000 0.265 295 T C 2.160 176.857 174.700 -0.004 0.000 1.038 295 T CA 1.511 63.611 62.100 0.001 0.000 1.144 295 T CB -0.618 68.255 68.868 0.007 0.000 0.866 295 T HN 0.803 nan 8.240 nan 0.000 0.434 296 A N 0.699 123.501 122.820 -0.031 0.000 1.859 296 A HA -0.160 4.161 4.320 0.003 0.000 0.217 296 A C 2.098 179.632 177.584 -0.083 0.000 1.198 296 A CA 1.713 53.688 52.037 -0.105 0.000 0.629 296 A CB -1.392 17.480 19.000 -0.214 0.000 0.830 296 A HN 0.701 nan 8.150 nan 0.000 0.446 297 W N -0.082 121.191 121.300 -0.046 0.000 2.331 297 W HA -0.174 4.487 4.660 0.002 0.000 0.291 297 W C 1.731 178.210 176.519 -0.068 0.000 1.214 297 W CA 1.371 58.675 57.345 -0.068 0.000 1.228 297 W CB -0.258 29.060 29.460 -0.237 0.000 1.135 297 W HN 0.431 nan 8.180 nan 0.000 0.537 298 N N -0.267 118.504 118.700 0.119 0.000 2.398 298 N HA 0.047 4.788 4.740 0.003 0.000 0.188 298 N C 1.279 176.846 175.510 0.094 0.000 1.122 298 N CA 0.283 53.388 53.050 0.092 0.000 0.866 298 N CB -0.161 38.324 38.487 -0.003 0.000 0.970 298 N HN 0.101 nan 8.380 nan 0.000 0.462 299 L N 0.098 121.368 121.223 0.079 0.000 2.478 299 L HA 0.085 4.427 4.340 0.003 0.000 0.223 299 L C 0.290 177.219 176.870 0.098 0.000 1.140 299 L CA 0.423 55.301 54.840 0.063 0.000 0.842 299 L CB -0.125 41.948 42.059 0.024 0.000 0.953 299 L HN 0.175 nan 8.230 nan 0.000 0.452 300 L N -0.033 121.286 121.223 0.159 0.000 2.379 300 L HA 0.332 4.673 4.340 0.003 0.000 0.269 300 L C -2.038 174.961 176.870 0.214 0.000 1.084 300 L CA -2.062 52.894 54.840 0.193 0.000 0.802 300 L CB 0.550 42.775 42.059 0.277 0.000 1.175 300 L HN -0.228 nan 8.230 nan 0.000 0.448 301 P HA -0.016 nan 4.420 nan 0.000 0.268 301 P C -0.810 176.638 177.300 0.246 0.000 1.204 301 P CA -0.107 63.110 63.100 0.195 0.000 0.768 301 P CB 0.219 32.008 31.700 0.149 0.000 0.842 302 F N 3.298 123.325 119.950 0.128 0.000 2.502 302 F HA 0.371 4.900 4.527 0.003 0.000 0.371 302 F C 0.326 176.184 175.800 0.098 0.000 1.083 302 F CA 0.889 58.963 58.000 0.124 0.000 1.174 302 F CB 0.243 39.296 39.000 0.089 0.000 1.096 302 F HN 0.198 nan 8.300 nan 0.000 0.545 303 S N 6.590 122.049 115.700 -0.401 0.000 2.563 303 S HA 0.224 4.696 4.470 0.003 0.000 0.279 303 S C 0.534 175.013 174.600 -0.202 0.000 1.155 303 S CA -0.859 57.225 58.200 -0.193 0.000 0.928 303 S CB 0.814 64.030 63.200 0.027 0.000 1.107 303 S HN 0.848 nan 8.310 nan 0.000 0.462 304 I N 4.342 124.854 120.570 -0.097 0.000 2.399 304 I HA -0.174 3.998 4.170 0.003 0.000 0.254 304 I C 1.127 177.451 176.117 0.344 0.000 1.146 304 I CA 1.578 62.930 61.300 0.086 0.000 1.412 304 I CB 0.046 38.090 38.000 0.073 0.000 1.076 304 I HN 0.743 nan 8.210 nan 0.000 0.432 305 L N -0.523 120.817 121.223 0.194 0.000 2.509 305 L HA 0.004 4.345 4.340 0.003 0.000 0.222 305 L C 1.115 178.058 176.870 0.122 0.000 1.123 305 L CA 0.242 55.180 54.840 0.163 0.000 0.856 305 L CB -0.622 41.519 42.059 0.136 0.000 0.985 305 L HN 0.241 nan 8.230 nan 0.000 0.456 306 N N 1.404 120.176 118.700 0.120 0.000 2.602 306 N HA 0.082 4.823 4.740 0.003 0.000 0.238 306 N C 1.223 176.815 175.510 0.136 0.000 1.084 306 N CA -0.361 52.759 53.050 0.116 0.000 0.952 306 N CB 0.612 39.166 38.487 0.112 0.000 1.244 306 N HN 0.058 nan 8.380 nan 0.000 0.512 307 I N 3.859 124.469 120.570 0.067 0.000 2.194 307 I HA -0.169 4.002 4.170 0.003 0.000 0.246 307 I C -0.716 175.442 176.117 0.068 0.000 1.093 307 I CA 1.236 62.504 61.300 -0.053 0.000 1.355 307 I CB -2.390 35.503 38.000 -0.179 0.000 1.046 307 I HN 0.491 nan 8.210 nan 0.000 0.413 308 P HA -0.161 nan 4.420 nan 0.000 0.218 308 P C 1.764 178.984 177.300 -0.132 0.000 1.146 308 P CA 2.060 65.196 63.100 0.061 0.000 0.813 308 P CB -0.415 31.201 31.700 -0.140 0.000 0.778 309 T N -5.395 109.028 114.554 -0.218 0.000 2.897 309 T HA -0.193 4.159 4.350 0.003 0.000 0.271 309 T C 1.316 175.877 174.700 -0.232 0.000 1.084 309 T CA 0.723 62.538 62.100 -0.474 0.000 1.123 309 T CB -1.245 67.385 68.868 -0.398 0.000 0.865 309 T HN 0.072 nan 8.240 nan 0.000 0.496 310 W N 0.910 122.047 121.300 -0.271 0.000 2.825 310 W HA 0.387 5.049 4.660 0.003 0.000 0.243 310 W C 1.983 178.373 176.519 -0.214 0.000 1.293 310 W CA -1.235 56.007 57.345 -0.172 0.000 1.403 310 W CB -0.688 28.697 29.460 -0.126 0.000 1.134 310 W HN 0.285 nan 8.180 nan 0.000 0.666 311 I N 0.267 120.728 120.570 -0.183 0.000 2.194 311 I HA -0.393 3.779 4.170 0.003 0.000 0.246 311 I C 1.837 177.775 176.117 -0.298 0.000 1.093 311 I CA 1.723 62.770 61.300 -0.421 0.000 1.355 311 I CB -0.173 37.310 38.000 -0.861 0.000 1.046 311 I HN -0.229 nan 8.210 nan 0.000 0.413 312 S N -0.780 114.792 115.700 -0.212 0.000 2.547 312 S HA -0.199 4.273 4.470 0.003 0.000 0.235 312 S C 1.580 176.266 174.600 0.143 0.000 0.980 312 S CA 0.812 58.944 58.200 -0.114 0.000 0.941 312 S CB -0.472 62.683 63.200 -0.076 0.000 0.763 312 S HN 0.621 nan 8.310 nan 0.000 0.532 313 H N 0.856 119.953 119.070 0.045 0.000 2.544 313 H HA 0.338 4.896 4.556 0.003 0.000 0.269 313 H C 0.332 175.841 175.328 0.302 0.000 0.970 313 H CA -0.072 56.099 56.048 0.204 0.000 1.219 313 H CB -0.111 29.632 29.762 -0.032 0.000 1.421 313 H HN 0.236 nan 8.280 nan 0.000 0.555 314 L N 2.623 123.883 121.223 0.063 0.000 2.499 314 L HA 0.049 4.391 4.340 0.003 0.000 0.273 314 L C -1.065 175.732 176.870 -0.122 0.000 1.195 314 L CA -1.227 53.527 54.840 -0.144 0.000 0.882 314 L CB 0.762 42.668 42.059 -0.256 0.000 1.133 314 L HN 0.235 nan 8.230 nan 0.000 0.483 315 P HA -0.095 nan 4.420 nan 0.000 0.219 315 P C 1.429 178.613 177.300 -0.193 0.000 1.150 315 P CA 1.014 63.789 63.100 -0.542 0.000 0.814 315 P CB 0.126 31.311 31.700 -0.858 0.000 0.787 316 T N 0.118 114.587 114.554 -0.142 0.000 2.720 316 T HA -0.114 4.238 4.350 0.003 0.000 0.268 316 T C 1.965 176.678 174.700 0.021 0.000 1.037 316 T CA 1.810 63.883 62.100 -0.045 0.000 1.144 316 T CB -0.796 68.070 68.868 -0.003 0.000 0.864 316 T HN 0.089 nan 8.240 nan 0.000 0.444 317 A N -0.151 122.694 122.820 0.042 0.000 2.015 317 A HA -0.015 4.306 4.320 0.003 0.000 0.219 317 A C 1.959 179.648 177.584 0.175 0.000 1.163 317 A CA 1.076 53.157 52.037 0.074 0.000 0.646 317 A CB -0.849 18.137 19.000 -0.022 0.000 0.806 317 A HN 0.558 nan 8.150 nan 0.000 0.448 318 Y N 0.060 120.417 120.300 0.095 0.000 2.070 318 Y HA -0.146 4.405 4.550 0.003 0.000 0.280 318 Y C 2.810 178.661 175.900 -0.083 0.000 1.148 318 Y CA 1.616 59.706 58.100 -0.018 0.000 1.125 318 Y CB -0.725 37.609 38.460 -0.210 0.000 0.975 318 Y HN 0.342 nan 8.280 nan 0.000 0.492 319 G N -0.909 107.901 108.800 0.018 0.000 2.421 319 G HA2 -0.279 3.683 3.960 0.003 0.000 0.216 319 G HA3 -0.279 3.683 3.960 0.003 0.000 0.216 319 G C 1.482 176.402 174.900 0.035 0.000 1.171 319 G CA 1.152 46.224 45.100 -0.047 0.000 0.775 319 G HN 0.413 nan 8.290 nan 0.000 0.543 320 D N 0.709 121.143 120.400 0.058 0.000 2.097 320 D HA -0.058 4.584 4.640 0.003 0.000 0.197 320 D C 2.648 179.015 176.300 0.113 0.000 0.984 320 D CA 1.358 55.405 54.000 0.078 0.000 0.826 320 D CB -0.363 40.483 40.800 0.076 0.000 0.973 320 D HN 0.248 nan 8.370 nan 0.000 0.460 321 G N 0.666 109.556 108.800 0.149 0.000 2.404 321 G HA2 -0.190 3.772 3.960 0.003 0.000 0.215 321 G HA3 -0.190 3.772 3.960 0.003 0.000 0.215 321 G C 1.793 176.817 174.900 0.207 0.000 1.174 321 G CA 0.460 45.678 45.100 0.195 0.000 0.780 321 G HN 0.252 nan 8.290 nan 0.000 0.537 322 M N 0.301 120.021 119.600 0.200 0.000 2.419 322 M HA 0.060 4.542 4.480 0.003 0.000 0.264 322 M C 2.270 178.730 176.300 0.267 0.000 1.082 322 M CA 0.732 56.185 55.300 0.255 0.000 1.119 322 M CB -0.187 32.598 32.600 0.309 0.000 1.398 322 M HN 0.234 nan 8.290 nan 0.000 0.453 323 N N 1.119 119.942 118.700 0.205 0.000 2.149 323 N HA -0.141 4.601 4.740 0.003 0.000 0.188 323 N C 1.629 177.210 175.510 0.119 0.000 1.019 323 N CA 1.480 54.625 53.050 0.157 0.000 0.857 323 N CB 0.046 38.594 38.487 0.101 0.000 0.997 323 N HN 0.217 nan 8.380 nan 0.000 0.426 324 R N -0.287 120.287 120.500 0.124 0.000 2.115 324 R HA 0.032 4.373 4.340 0.003 0.000 0.230 324 R C 2.059 178.432 176.300 0.122 0.000 1.111 324 R CA 0.967 57.133 56.100 0.110 0.000 0.976 324 R CB -0.204 30.164 30.300 0.114 0.000 0.870 324 R HN 0.374 nan 8.270 nan 0.000 0.445 325 I N 0.633 121.296 120.570 0.154 0.000 2.142 325 I HA -0.291 3.881 4.170 0.003 0.000 0.240 325 I C 2.185 178.396 176.117 0.156 0.000 1.078 325 I CA 1.037 62.434 61.300 0.162 0.000 1.343 325 I CB -0.294 37.808 38.000 0.170 0.000 1.046 325 I HN 0.107 nan 8.210 nan 0.000 0.405 326 I N 0.997 121.612 120.570 0.074 0.000 2.185 326 I HA -0.324 3.847 4.170 0.003 0.000 0.246 326 I C 2.218 178.238 176.117 -0.162 0.000 1.088 326 I CA 1.973 63.167 61.300 -0.177 0.000 1.347 326 I CB -1.024 36.938 38.000 -0.063 0.000 1.041 326 I HN 0.399 nan 8.210 nan 0.000 0.415 327 E N -0.107 120.079 120.200 -0.024 0.000 2.481 327 E HA -0.017 4.334 4.350 0.003 0.000 0.195 327 E C 0.957 177.561 176.600 0.006 0.000 1.047 327 E CA -0.143 56.249 56.400 -0.014 0.000 0.867 327 E CB 0.155 29.863 29.700 0.013 0.000 0.858 327 E HN 0.207 nan 8.360 nan 0.000 0.513 328 S N 1.008 116.738 115.700 0.050 0.000 2.562 328 S HA -0.006 4.466 4.470 0.003 0.000 0.281 328 S C 1.230 175.831 174.600 0.002 0.000 1.333 328 S CA -0.441 57.788 58.200 0.049 0.000 1.052 328 S CB 0.607 63.889 63.200 0.137 0.000 0.884 328 S HN -0.017 nan 8.310 nan 0.000 0.506 329 K N 3.555 123.866 120.400 -0.150 0.000 2.281 329 K HA -0.073 4.249 4.320 0.003 0.000 0.203 329 K C 0.810 177.324 176.600 -0.143 0.000 1.046 329 K CA 1.319 57.477 56.287 -0.214 0.000 0.938 329 K CB -0.340 31.925 32.500 -0.391 0.000 0.737 329 K HN 0.697 nan 8.250 nan 0.000 0.458 330 F N -0.962 119.038 119.950 0.082 0.000 2.765 330 F HA 0.066 4.595 4.527 0.003 0.000 0.302 330 F C 1.916 177.648 175.800 -0.114 0.000 1.111 330 F CA -1.055 56.960 58.000 0.024 0.000 1.359 330 F CB -0.817 38.274 39.000 0.152 0.000 1.097 330 F HN -0.002 nan 8.300 nan 0.000 0.577 331 Y N 2.506 122.799 120.300 -0.011 0.000 2.069 331 Y HA -0.356 4.196 4.550 0.003 0.000 0.278 331 Y C 2.177 177.987 175.900 -0.150 0.000 1.175 331 Y CA 2.363 60.386 58.100 -0.128 0.000 1.134 331 Y CB -0.472 37.933 38.460 -0.091 0.000 0.965 331 Y HN 0.221 nan 8.280 nan 0.000 0.498 332 D N -0.465 119.913 120.400 -0.036 0.000 2.371 332 D HA -0.148 4.493 4.640 0.003 0.000 0.221 332 D C 1.638 177.857 176.300 -0.135 0.000 0.986 332 D CA 1.132 55.082 54.000 -0.084 0.000 0.899 332 D CB -0.883 39.963 40.800 0.077 0.000 0.902 332 D HN 0.520 nan 8.370 nan 0.000 0.530 333 L N 0.287 121.418 121.223 -0.154 0.000 2.341 333 L HA 0.087 4.428 4.340 0.003 0.000 0.214 333 L C 1.234 177.955 176.870 -0.248 0.000 1.115 333 L CA 0.641 55.408 54.840 -0.122 0.000 0.820 333 L CB -0.755 41.270 42.059 -0.056 0.000 0.944 333 L HN 0.112 nan 8.230 nan 0.000 0.452 334 T N -1.691 112.519 114.554 -0.573 0.000 2.882 334 T HA 0.474 4.826 4.350 0.003 0.000 0.287 334 T C 0.178 174.619 174.700 -0.433 0.000 1.014 334 T CA -0.473 61.212 62.100 -0.691 0.000 1.049 334 T CB 1.852 70.133 68.868 -0.978 0.000 1.001 334 T HN 0.220 nan 8.240 nan 0.000 0.525 335 S N 0.160 115.679 115.700 -0.301 0.000 2.697 335 S HA 0.455 4.927 4.470 0.003 0.000 0.289 335 S C 0.874 175.376 174.600 -0.164 0.000 1.149 335 S CA -1.138 56.944 58.200 -0.196 0.000 0.850 335 S CB 1.757 64.908 63.200 -0.080 0.000 1.151 335 S HN 0.820 nan 8.310 nan 0.000 0.491 336 K N 0.046 120.395 120.400 -0.085 0.000 2.089 336 K HA -0.170 4.152 4.320 0.003 0.000 0.210 336 K C 0.126 176.723 176.600 -0.005 0.000 1.048 336 K CA 2.175 58.444 56.287 -0.029 0.000 0.926 336 K CB -0.247 32.278 32.500 0.041 0.000 0.714 336 K HN 0.598 nan 8.250 nan 0.000 0.448 337 D N 0.143 120.549 120.400 0.010 0.000 2.424 337 D HA 0.082 4.724 4.640 0.003 0.000 0.220 337 D C -0.544 175.782 176.300 0.043 0.000 1.150 337 D CA 0.079 54.105 54.000 0.044 0.000 0.831 337 D CB 0.644 41.483 40.800 0.064 0.000 0.981 337 D HN -0.001 nan 8.370 nan 0.000 0.500 338 S N 0.570 116.274 115.700 0.006 0.000 2.558 338 S HA 0.052 4.523 4.470 0.003 0.000 0.288 338 S C 0.594 175.232 174.600 0.063 0.000 1.318 338 S CA 0.177 58.414 58.200 0.061 0.000 1.056 338 S CB 0.690 63.865 63.200 -0.042 0.000 0.853 338 S HN 0.107 nan 8.310 nan 0.000 0.505 339 T N 4.554 119.172 114.554 0.106 0.000 2.769 339 T HA 0.327 4.679 4.350 0.003 0.000 0.293 339 T C 0.066 174.847 174.700 0.136 0.000 0.931 339 T CA 0.194 62.291 62.100 -0.006 0.000 1.139 339 T CB -0.532 68.271 68.868 -0.109 0.000 0.881 339 T HN 0.382 nan 8.240 nan 0.000 0.532 340 I N 4.716 125.324 120.570 0.063 0.000 2.478 340 I HA 0.369 4.541 4.170 0.003 0.000 0.287 340 I C -0.674 175.506 176.117 0.105 0.000 1.042 340 I CA -1.010 60.370 61.300 0.134 0.000 1.067 340 I CB 1.849 39.882 38.000 0.056 0.000 1.233 340 I HN 0.351 nan 8.210 nan 0.000 0.431 341 I N 6.951 127.603 120.570 0.137 0.000 2.339 341 I HA 0.360 4.532 4.170 0.003 0.000 0.290 341 I C -0.025 176.172 176.117 0.135 0.000 0.994 341 I CA -0.793 60.578 61.300 0.120 0.000 1.191 341 I CB 1.459 39.535 38.000 0.126 0.000 1.343 341 I HN 0.142 nan 8.210 nan 0.000 0.458 342 V N 5.492 125.479 119.914 0.122 0.000 2.370 342 V HA 0.477 4.598 4.120 0.003 0.000 0.283 342 V C 0.804 176.969 176.094 0.117 0.000 1.023 342 V CA -0.945 61.432 62.300 0.128 0.000 0.857 342 V CB 1.452 33.374 31.823 0.165 0.000 0.985 342 V HN 0.855 nan 8.190 nan 0.000 0.443 343 A N 4.261 127.148 122.820 0.112 0.000 2.473 343 A HA 0.305 4.626 4.320 0.003 0.000 0.282 343 A C 0.604 178.266 177.584 0.131 0.000 1.163 343 A CA 0.076 52.182 52.037 0.116 0.000 0.827 343 A CB -0.479 18.554 19.000 0.055 0.000 1.098 343 A HN 0.790 nan 8.150 nan 0.000 0.515 344 N N 2.464 121.269 118.700 0.175 0.000 2.497 344 N HA 0.230 4.971 4.740 0.003 0.000 0.284 344 N C -0.634 175.038 175.510 0.269 0.000 1.459 344 N CA -0.002 53.141 53.050 0.155 0.000 0.899 344 N CB 0.392 38.889 38.487 0.017 0.000 1.316 344 N HN 0.629 nan 8.380 nan 0.000 0.500 345 L N 0.746 122.118 121.223 0.248 0.000 2.418 345 L HA 0.304 4.645 4.340 0.003 0.000 0.265 345 L C 1.270 178.179 176.870 0.065 0.000 1.143 345 L CA -0.450 54.521 54.840 0.218 0.000 0.809 345 L CB 0.674 42.841 42.059 0.180 0.000 1.124 345 L HN 0.134 nan 8.230 nan 0.000 0.456 346 S N -0.336 115.232 115.700 -0.220 0.000 2.589 346 S HA 0.026 4.498 4.470 0.003 0.000 0.265 346 S C 0.566 175.052 174.600 -0.190 0.000 1.342 346 S CA -0.670 57.250 58.200 -0.467 0.000 1.005 346 S CB 0.841 63.609 63.200 -0.720 0.000 0.909 346 S HN 0.597 nan 8.310 nan 0.000 0.555 347 D N 2.153 122.453 120.400 -0.167 0.000 2.106 347 D HA -0.051 4.591 4.640 0.003 0.000 0.191 347 D C -0.610 175.621 176.300 -0.115 0.000 0.997 347 D CA 1.572 55.506 54.000 -0.111 0.000 0.834 347 D CB -1.931 38.811 40.800 -0.096 0.000 0.956 347 D HN 0.526 nan 8.370 nan 0.000 0.448 348 P HA -0.007 nan 4.420 nan 0.000 0.219 348 P C 1.050 178.310 177.300 -0.067 0.000 1.150 348 P CA 1.564 64.601 63.100 -0.105 0.000 0.814 348 P CB -0.025 31.607 31.700 -0.113 0.000 0.787 349 A N -0.194 122.593 122.820 -0.055 0.000 1.970 349 A HA -0.091 4.231 4.320 0.003 0.000 0.216 349 A C 2.414 179.994 177.584 -0.006 0.000 1.170 349 A CA 0.865 52.903 52.037 0.002 0.000 0.645 349 A CB -1.047 17.984 19.000 0.052 0.000 0.816 349 A HN -0.008 nan 8.150 nan 0.000 0.447 350 R N -0.103 120.377 120.500 -0.033 0.000 2.105 350 R HA -0.160 4.181 4.340 0.003 0.000 0.239 350 R C 2.144 178.370 176.300 -0.123 0.000 1.135 350 R CA 1.424 57.487 56.100 -0.062 0.000 0.967 350 R CB -0.346 29.920 30.300 -0.057 0.000 0.861 350 R HN 0.449 nan 8.270 nan 0.000 0.442 351 A N 1.033 123.789 122.820 -0.106 0.000 2.019 351 A HA -0.168 4.154 4.320 0.003 0.000 0.219 351 A C 1.077 178.575 177.584 -0.143 0.000 1.164 351 A CA 1.712 53.677 52.037 -0.120 0.000 0.644 351 A CB -0.261 18.689 19.000 -0.084 0.000 0.805 351 A HN 0.723 nan 8.150 nan 0.000 0.449 352 N N -2.803 115.826 118.700 -0.118 0.000 2.167 352 N HA 0.119 4.860 4.740 0.003 0.000 0.234 352 N C -0.654 174.811 175.510 -0.076 0.000 1.312 352 N CA 0.202 53.196 53.050 -0.093 0.000 0.861 352 N CB 0.054 38.531 38.487 -0.017 0.000 1.217 352 N HN -0.016 nan 8.380 nan 0.000 0.504 353 T N 0.532 115.014 114.554 -0.119 0.000 2.812 353 T HA 0.302 4.653 4.350 0.003 0.000 0.282 353 T C -1.057 173.562 174.700 -0.135 0.000 0.990 353 T CA -0.379 61.728 62.100 0.012 0.000 0.960 353 T CB 0.770 69.746 68.868 0.181 0.000 0.948 353 T HN 0.135 nan 8.240 nan 0.000 0.438 354 W N 2.810 124.144 121.300 0.056 0.000 2.388 354 W HA 0.424 5.086 4.660 0.003 0.000 0.308 354 W C -0.020 176.359 176.519 -0.233 0.000 1.263 354 W CA -0.736 56.580 57.345 -0.048 0.000 1.286 354 W CB 0.243 29.694 29.460 -0.015 0.000 1.294 354 W HN 0.330 nan 8.180 nan 0.000 0.493 355 V N 5.533 125.265 119.914 -0.303 0.000 2.479 355 V HA 0.112 4.234 4.120 0.003 0.000 0.281 355 V C 0.290 176.097 176.094 -0.478 0.000 1.031 355 V CA -0.074 61.675 62.300 -0.918 0.000 1.038 355 V CB -0.236 31.248 31.823 -0.564 0.000 0.981 355 V HN 0.630 nan 8.190 nan 0.000 0.478 356 Q N 2.539 121.999 119.800 -0.566 0.000 2.575 356 Q HA 0.434 4.775 4.340 0.003 0.000 0.290 356 Q C -1.377 174.769 176.000 0.244 0.000 0.963 356 Q CA -1.011 54.786 55.803 -0.011 0.000 0.783 356 Q CB 1.806 30.612 28.738 0.113 0.000 1.467 356 Q HN 0.443 nan 8.270 nan 0.000 0.402 357 D N 1.402 121.951 120.400 0.249 0.000 2.435 357 D HA 0.202 4.844 4.640 0.003 0.000 0.230 357 D C 0.414 176.927 176.300 0.354 0.000 1.215 357 D CA -0.144 54.068 54.000 0.353 0.000 0.947 357 D CB 0.333 41.306 40.800 0.289 0.000 1.048 357 D HN 0.633 nan 8.370 nan 0.000 0.512 358 L N 3.065 124.562 121.223 0.457 0.000 2.291 358 L HA -0.008 4.333 4.340 0.003 0.000 0.214 358 L C 1.282 178.260 176.870 0.180 0.000 1.120 358 L CA 0.277 55.271 54.840 0.256 0.000 0.799 358 L CB -0.666 41.453 42.059 0.100 0.000 0.925 358 L HN 0.575 nan 8.230 nan 0.000 0.446 359 N N 0.056 118.934 118.700 0.295 0.000 2.741 359 N HA -0.223 4.519 4.740 0.003 0.000 0.250 359 N C 0.380 175.895 175.510 0.007 0.000 1.115 359 N CA 0.147 53.236 53.050 0.064 0.000 0.724 359 N CB -0.419 38.014 38.487 -0.090 0.000 1.090 359 N HN 0.260 nan 8.380 nan 0.000 0.558 360 R N 0.959 121.499 120.500 0.065 0.000 2.543 360 R HA 0.074 4.415 4.340 0.003 0.000 0.277 360 R C 0.191 176.447 176.300 -0.072 0.000 1.074 360 R CA 0.031 56.078 56.100 -0.088 0.000 1.076 360 R CB 0.310 30.389 30.300 -0.369 0.000 0.993 360 R HN 0.301 nan 8.270 nan 0.000 0.459 361 N N 0.149 118.754 118.700 -0.158 0.000 2.705 361 N HA -0.248 4.494 4.740 0.003 0.000 0.255 361 N C -1.414 173.898 175.510 -0.330 0.000 1.008 361 N CA 1.417 54.276 53.050 -0.318 0.000 0.742 361 N CB -0.733 37.358 38.487 -0.661 0.000 0.906 361 N HN 0.659 nan 8.380 nan 0.000 0.541 362 A N -0.543 122.166 122.820 -0.184 0.000 2.612 362 A HA 0.530 4.851 4.320 0.003 0.000 0.293 362 A C -0.276 177.231 177.584 -0.128 0.000 1.075 362 A CA -0.817 51.140 52.037 -0.133 0.000 0.680 362 A CB 1.344 20.306 19.000 -0.064 0.000 1.279 362 A HN 0.140 nan 8.150 nan 0.000 0.411 363 E N 0.523 120.676 120.200 -0.077 0.000 2.409 363 E HA 0.287 4.638 4.350 0.003 0.000 0.257 363 E C -0.267 176.263 176.600 -0.117 0.000 1.150 363 E CA 0.020 56.384 56.400 -0.061 0.000 0.942 363 E CB 0.398 30.095 29.700 -0.005 0.000 0.979 363 E HN 0.579 nan 8.360 nan 0.000 0.447 364 T N 2.071 116.581 114.554 -0.074 0.000 2.867 364 T HA 0.003 4.355 4.350 0.003 0.000 0.297 364 T C -0.159 174.541 174.700 0.001 0.000 0.989 364 T CA 0.234 62.287 62.100 -0.078 0.000 1.159 364 T CB -0.156 68.702 68.868 -0.016 0.000 0.928 364 T HN 0.286 nan 8.240 nan 0.000 0.538 365 H N 2.549 121.657 119.070 0.063 0.000 2.732 365 H HA 0.290 4.848 4.556 0.003 0.000 0.351 365 H C 0.492 175.860 175.328 0.067 0.000 1.090 365 H CA -0.522 55.571 56.048 0.074 0.000 1.431 365 H CB 0.637 30.454 29.762 0.091 0.000 1.447 365 H HN 0.233 nan 8.280 nan 0.000 0.582 366 K N 1.655 122.176 120.400 0.202 0.000 2.395 366 K HA 0.507 4.829 4.320 0.003 0.000 0.247 366 K C 0.430 177.101 176.600 0.119 0.000 0.973 366 K CA -0.267 56.099 56.287 0.132 0.000 0.828 366 K CB 2.327 34.889 32.500 0.104 0.000 1.272 366 K HN 0.954 nan 8.250 nan 0.000 0.439 367 G N 0.719 109.578 108.800 0.098 0.000 2.681 367 G HA2 -0.239 3.723 3.960 0.003 0.000 0.220 367 G HA3 -0.239 3.723 3.960 0.003 0.000 0.220 367 G C -0.573 174.367 174.900 0.067 0.000 1.353 367 G CA -0.463 44.693 45.100 0.094 0.000 0.872 367 G HN 0.493 nan 8.290 nan 0.000 0.557 368 S N -0.329 115.404 115.700 0.055 0.000 2.584 368 S HA 0.586 5.058 4.470 0.003 0.000 0.270 368 S C 0.428 174.955 174.600 -0.121 0.000 1.346 368 S CA 0.609 58.773 58.200 -0.061 0.000 1.018 368 S CB 1.262 64.434 63.200 -0.046 0.000 0.899 368 S HN 0.949 nan 8.310 nan 0.000 0.542 369 T N 2.513 116.925 114.554 -0.237 0.000 2.807 369 T HA 0.526 4.878 4.350 0.003 0.000 0.279 369 T C -0.847 173.684 174.700 -0.282 0.000 0.993 369 T CA -0.300 61.719 62.100 -0.135 0.000 0.970 369 T CB 0.268 69.116 68.868 -0.034 0.000 0.950 369 T HN 0.345 nan 8.240 nan 0.000 0.441 370 F N 2.656 122.648 119.950 0.070 0.000 2.427 370 F HA 0.591 5.120 4.527 0.003 0.000 0.346 370 F C 0.304 176.166 175.800 0.103 0.000 1.120 370 F CA -1.074 56.975 58.000 0.082 0.000 1.033 370 F CB 0.940 39.970 39.000 0.050 0.000 1.126 370 F HN 0.300 nan 8.300 nan 0.000 0.462 371 I N 5.264 126.003 120.570 0.282 0.000 2.382 371 I HA 0.333 4.505 4.170 0.003 0.000 0.286 371 I C -0.886 175.406 176.117 0.292 0.000 1.002 371 I CA -0.635 60.806 61.300 0.234 0.000 1.135 371 I CB 1.359 39.456 38.000 0.161 0.000 1.288 371 I HN 0.340 nan 8.210 nan 0.000 0.448 372 I N 5.429 126.145 120.570 0.244 0.000 2.330 372 I HA 0.371 4.543 4.170 0.003 0.000 0.289 372 I C 0.949 177.164 176.117 0.162 0.000 1.001 372 I CA -0.085 61.354 61.300 0.232 0.000 1.193 372 I CB 0.927 39.054 38.000 0.212 0.000 1.345 372 I HN 0.591 nan 8.210 nan 0.000 0.461 373 G N 4.700 113.593 108.800 0.155 0.000 2.588 373 G HA2 0.436 4.397 3.960 0.003 0.000 0.278 373 G HA3 0.436 4.397 3.960 0.003 0.000 0.278 373 G C 0.118 175.064 174.900 0.077 0.000 1.307 373 G CA -0.250 44.905 45.100 0.091 0.000 1.016 373 G HN 0.681 nan 8.290 nan 0.000 0.503 374 S N -1.644 114.083 115.700 0.045 0.000 2.745 374 S HA 0.338 4.810 4.470 0.003 0.000 0.292 374 S C 0.117 174.737 174.600 0.033 0.000 1.133 374 S CA -0.620 57.607 58.200 0.045 0.000 0.998 374 S CB 1.932 65.154 63.200 0.036 0.000 1.087 374 S HN 0.383 nan 8.310 nan 0.000 0.551 375 D N 0.837 121.256 120.400 0.033 0.000 2.336 375 D HA 0.239 4.881 4.640 0.003 0.000 0.229 375 D C 0.142 176.449 176.300 0.011 0.000 1.061 375 D CA 0.340 54.355 54.000 0.025 0.000 0.875 375 D CB 0.048 40.865 40.800 0.029 0.000 0.904 375 D HN 0.383 nan 8.370 nan 0.000 0.525 376 S N 0.208 115.908 115.700 0.001 0.000 2.768 376 S HA 0.306 4.778 4.470 0.003 0.000 0.300 376 S C 0.132 174.706 174.600 -0.043 0.000 1.122 376 S CA -0.863 57.327 58.200 -0.016 0.000 0.995 376 S CB 0.959 64.150 63.200 -0.015 0.000 1.195 376 S HN 0.016 nan 8.310 nan 0.000 0.547 377 N N 3.039 121.701 118.700 -0.062 0.000 2.416 377 N HA 0.234 4.975 4.740 0.003 0.000 0.265 377 N C -1.044 174.377 175.510 -0.148 0.000 1.195 377 N CA 0.249 53.239 53.050 -0.100 0.000 0.943 377 N CB -0.083 38.346 38.487 -0.097 0.000 1.115 377 N HN 0.433 nan 8.380 nan 0.000 0.481 378 D N 1.490 121.772 120.400 -0.196 0.000 2.269 378 D HA 0.382 5.024 4.640 0.003 0.000 0.244 378 D C 0.129 176.189 176.300 -0.400 0.000 0.992 378 D CA -0.407 53.441 54.000 -0.253 0.000 0.894 378 D CB 1.966 42.643 40.800 -0.205 0.000 1.248 378 D HN 0.197 nan 8.370 nan 0.000 0.468 379 L N 1.885 122.808 121.223 -0.500 0.000 2.280 379 L HA 0.494 4.836 4.340 0.003 0.000 0.287 379 L C -0.262 176.375 176.870 -0.388 0.000 1.023 379 L CA -0.509 53.844 54.840 -0.811 0.000 0.819 379 L CB 0.935 42.054 42.059 -1.567 0.000 1.212 379 L HN 0.146 nan 8.230 nan 0.000 0.420 380 I N 3.487 124.011 120.570 -0.077 0.000 2.418 380 I HA 0.288 4.460 4.170 0.003 0.000 0.287 380 I C -0.505 175.846 176.117 0.390 0.000 1.008 380 I CA -0.521 60.851 61.300 0.120 0.000 1.104 380 I CB 2.167 40.172 38.000 0.008 0.000 1.264 380 I HN 0.531 nan 8.210 nan 0.000 0.438 381 Q N 5.368 125.355 119.800 0.313 0.000 2.339 381 Q HA 0.588 4.930 4.340 0.003 0.000 0.268 381 Q C -0.423 175.642 176.000 0.108 0.000 1.027 381 Q CA -0.453 55.463 55.803 0.189 0.000 0.759 381 Q CB 1.882 30.676 28.738 0.095 0.000 1.244 381 Q HN 0.760 nan 8.270 nan 0.000 0.464 382 G N 1.864 110.718 108.800 0.090 0.000 2.539 382 G HA2 0.512 4.474 3.960 0.003 0.000 0.258 382 G HA3 0.512 4.474 3.960 0.003 0.000 0.258 382 G C 0.058 174.966 174.900 0.013 0.000 1.202 382 G CA -0.191 44.934 45.100 0.041 0.000 0.851 382 G HN 0.740 nan 8.290 nan 0.000 0.556 383 G N -0.971 107.834 108.800 0.008 0.000 2.525 383 G HA2 0.378 4.339 3.960 0.003 0.000 0.287 383 G HA3 0.378 4.339 3.960 0.003 0.000 0.287 383 G C 1.350 176.243 174.900 -0.012 0.000 1.350 383 G CA 0.589 45.695 45.100 0.010 0.000 1.039 383 G HN 1.096 nan 8.290 nan 0.000 0.513 384 S N -1.422 114.276 115.700 -0.004 0.000 2.522 384 S HA 0.197 4.668 4.470 0.003 0.000 0.227 384 S C 1.360 175.954 174.600 -0.010 0.000 0.986 384 S CA 0.604 58.797 58.200 -0.011 0.000 0.929 384 S CB -0.157 63.041 63.200 -0.003 0.000 0.769 384 S HN 0.851 nan 8.310 nan 0.000 0.529 385 G N 1.599 110.397 108.800 -0.003 0.000 2.630 385 G HA2 0.412 4.373 3.960 0.003 0.000 0.223 385 G HA3 0.412 4.373 3.960 0.003 0.000 0.223 385 G C -0.596 174.283 174.900 -0.034 0.000 1.434 385 G CA -0.909 44.193 45.100 0.004 0.000 1.057 385 G HN 0.365 nan 8.290 nan 0.000 0.570 386 N N 1.155 119.823 118.700 -0.053 0.000 2.434 386 N HA 0.394 5.136 4.740 0.003 0.000 0.272 386 N C -1.452 173.864 175.510 -0.323 0.000 1.040 386 N CA -0.042 52.914 53.050 -0.156 0.000 0.956 386 N CB 1.699 40.118 38.487 -0.114 0.000 1.108 386 N HN 0.349 nan 8.380 nan 0.000 0.481 387 D N 0.564 120.686 120.400 -0.463 0.000 2.671 387 D HA 0.339 4.981 4.640 0.003 0.000 0.232 387 D C -1.043 174.763 176.300 -0.823 0.000 1.114 387 D CA -0.329 53.373 54.000 -0.496 0.000 0.858 387 D CB 1.265 41.926 40.800 -0.231 0.000 1.544 387 D HN 0.333 nan 8.370 nan 0.000 0.471 388 Y N 1.132 121.111 120.300 -0.536 0.000 2.388 388 Y HA 0.433 4.984 4.550 0.003 0.000 0.328 388 Y C -0.580 175.156 175.900 -0.274 0.000 0.963 388 Y CA -0.829 56.806 58.100 -0.775 0.000 1.240 388 Y CB 0.886 38.406 38.460 -1.566 0.000 1.118 388 Y HN 0.094 nan 8.280 nan 0.000 0.484 389 L N 3.577 124.897 121.223 0.162 0.000 2.313 389 L HA 0.561 4.903 4.340 0.003 0.000 0.283 389 L C -0.302 176.893 176.870 0.541 0.000 1.013 389 L CA -0.625 54.425 54.840 0.351 0.000 0.816 389 L CB 1.984 44.190 42.059 0.244 0.000 1.236 389 L HN 0.570 nan 8.230 nan 0.000 0.419 390 E N 1.612 122.156 120.200 0.572 0.000 2.220 390 E HA 0.316 4.668 4.350 0.003 0.000 0.256 390 E C 0.562 177.391 176.600 0.382 0.000 0.881 390 E CA -0.330 56.317 56.400 0.411 0.000 0.766 390 E CB 1.844 31.713 29.700 0.281 0.000 1.187 390 E HN 0.751 nan 8.360 nan 0.000 0.419 391 G N 3.821 112.898 108.800 0.462 0.000 2.421 391 G HA2 -0.112 3.850 3.960 0.003 0.000 0.217 391 G HA3 -0.112 3.850 3.960 0.003 0.000 0.217 391 G C 0.576 175.568 174.900 0.153 0.000 1.143 391 G CA 0.529 45.826 45.100 0.328 0.000 0.784 391 G HN 0.723 nan 8.290 nan 0.000 0.541 392 R N -0.777 119.802 120.500 0.131 0.000 3.840 392 R HA -0.178 4.163 4.340 0.003 0.000 0.475 392 R C 0.821 177.157 176.300 0.060 0.000 0.241 392 R CA 0.484 56.628 56.100 0.073 0.000 1.492 392 R CB -1.609 28.728 30.300 0.062 0.000 1.021 392 R HN 0.657 nan 8.270 nan 0.000 0.556 393 A N 0.392 123.236 122.820 0.039 0.000 2.310 393 A HA 0.560 4.881 4.320 0.003 0.000 0.260 393 A C 0.794 178.388 177.584 0.017 0.000 1.112 393 A CA 0.618 52.672 52.037 0.028 0.000 0.804 393 A CB -0.093 18.919 19.000 0.021 0.000 1.081 393 A HN 1.678 nan 8.150 nan 0.000 0.499 394 G N -0.272 108.533 108.800 0.009 0.000 2.746 394 G HA2 -0.079 3.882 3.960 0.003 0.000 0.685 394 G HA3 -0.079 3.882 3.960 0.003 0.000 0.685 394 G C -0.791 174.103 174.900 -0.010 0.000 1.350 394 G CA -0.357 44.739 45.100 -0.008 0.000 0.837 394 G HN 1.021 nan 8.290 nan 0.000 0.564 395 N N 2.020 120.705 118.700 -0.026 0.000 2.415 395 N HA 0.363 5.105 4.740 0.003 0.000 0.246 395 N C -0.659 174.806 175.510 -0.075 0.000 1.078 395 N CA -0.097 52.936 53.050 -0.027 0.000 0.942 395 N CB 0.876 39.349 38.487 -0.025 0.000 1.140 395 N HN 0.501 nan 8.380 nan 0.000 0.501 396 D N 0.861 121.211 120.400 -0.084 0.000 2.163 396 D HA 0.325 4.967 4.640 0.003 0.000 0.248 396 D C -0.071 176.057 176.300 -0.286 0.000 1.035 396 D CA -0.039 53.805 54.000 -0.261 0.000 0.872 396 D CB 1.602 42.174 40.800 -0.381 0.000 1.183 396 D HN 0.192 nan 8.370 nan 0.000 0.445 397 T N 1.665 115.987 114.554 -0.385 0.000 2.779 397 T HA 0.482 4.833 4.350 0.003 0.000 0.280 397 T C -0.366 174.211 174.700 -0.204 0.000 0.987 397 T CA -0.508 61.491 62.100 -0.169 0.000 0.966 397 T CB 0.406 69.255 68.868 -0.032 0.000 0.933 397 T HN 0.093 nan 8.240 nan 0.000 0.442 398 F N 1.805 121.887 119.950 0.221 0.000 2.508 398 F HA 0.652 5.180 4.527 0.003 0.000 0.325 398 F C 0.829 176.743 175.800 0.191 0.000 1.090 398 F CA -1.135 57.000 58.000 0.224 0.000 0.945 398 F CB 1.701 40.769 39.000 0.114 0.000 1.156 398 F HN 0.196 nan 8.300 nan 0.000 0.463 399 R N 0.822 121.501 120.500 0.298 0.000 2.854 399 R HA 0.585 4.927 4.340 0.003 0.000 0.271 399 R C -1.798 174.539 176.300 0.060 0.000 0.996 399 R CA -1.090 55.037 56.100 0.046 0.000 0.961 399 R CB 2.391 32.520 30.300 -0.284 0.000 1.182 399 R HN 0.710 nan 8.270 nan 0.000 0.479 400 D N -0.694 119.710 120.400 0.007 0.000 2.927 400 D HA 0.256 4.898 4.640 0.003 0.000 0.219 400 D C 0.232 176.521 176.300 -0.018 0.000 1.248 400 D CA -0.401 53.597 54.000 -0.003 0.000 0.861 400 D CB 1.652 42.447 40.800 -0.009 0.000 1.677 400 D HN 0.571 nan 8.370 nan 0.000 0.511 401 G N 1.613 110.398 108.800 -0.026 0.000 2.920 401 G HA2 0.514 4.475 3.960 0.003 0.000 0.208 401 G HA3 0.514 4.475 3.960 0.003 0.000 0.208 401 G C 0.762 175.647 174.900 -0.024 0.000 1.159 401 G CA 0.406 45.492 45.100 -0.024 0.000 0.784 401 G HN 0.852 nan 8.290 nan 0.000 0.535 402 G N -2.342 106.436 108.800 -0.037 0.000 2.334 402 G HA2 0.516 4.477 3.960 0.003 0.000 0.315 402 G HA3 0.516 4.477 3.960 0.003 0.000 0.315 402 G C 0.339 175.172 174.900 -0.112 0.000 1.284 402 G CA 0.252 45.312 45.100 -0.068 0.000 0.985 402 G HN 1.903 nan 8.290 nan 0.000 0.504 403 G N -1.545 107.149 108.800 -0.177 0.000 2.584 403 G HA2 0.229 4.191 3.960 0.003 0.000 0.229 403 G HA3 0.229 4.191 3.960 0.003 0.000 0.229 403 G C -0.579 174.064 174.900 -0.428 0.000 1.320 403 G CA 0.374 45.352 45.100 -0.204 0.000 0.891 403 G HN 1.798 nan 8.290 nan 0.000 0.573 404 Y N 1.901 122.144 120.300 -0.095 0.000 2.331 404 Y HA 0.613 5.164 4.550 0.002 0.000 0.334 404 Y C 0.553 176.318 175.900 -0.225 0.000 0.960 404 Y CA -0.827 57.207 58.100 -0.109 0.000 1.130 404 Y CB 1.939 40.353 38.460 -0.077 0.000 1.164 404 Y HN 0.616 nan 8.280 nan 0.000 0.458 405 N N 1.757 120.380 118.700 -0.128 0.000 2.284 405 N HA 0.625 5.366 4.740 0.003 0.000 0.289 405 N C -1.711 173.670 175.510 -0.215 0.000 1.179 405 N CA -0.753 52.129 53.050 -0.280 0.000 0.774 405 N CB 2.887 41.244 38.487 -0.217 0.000 1.548 405 N HN 0.211 nan 8.380 nan 0.000 0.473 406 V N 1.587 121.338 119.914 -0.272 0.000 2.540 406 V HA 0.543 4.665 4.120 0.003 0.000 0.302 406 V C -0.195 175.915 176.094 0.027 0.000 1.035 406 V CA -0.653 61.644 62.300 -0.006 0.000 0.873 406 V CB 1.634 33.627 31.823 0.284 0.000 0.992 406 V HN 0.528 nan 8.190 nan 0.000 0.428 407 I N 5.786 126.335 120.570 -0.034 0.000 2.420 407 I HA 0.410 4.581 4.170 0.003 0.000 0.282 407 I C -0.713 175.282 176.117 -0.204 0.000 1.019 407 I CA -0.332 60.836 61.300 -0.221 0.000 1.130 407 I CB 1.511 39.238 38.000 -0.455 0.000 1.262 407 I HN 0.343 nan 8.210 nan 0.000 0.454 408 L N 5.839 127.007 121.223 -0.091 0.000 2.287 408 L HA 0.361 4.702 4.340 0.003 0.000 0.280 408 L C 1.561 178.415 176.870 -0.026 0.000 1.055 408 L CA -0.245 54.559 54.840 -0.061 0.000 0.863 408 L CB 1.267 43.280 42.059 -0.075 0.000 1.245 408 L HN 0.796 nan 8.230 nan 0.000 0.432 409 G N 2.184 110.966 108.800 -0.031 0.000 2.450 409 G HA2 0.105 4.067 3.960 0.003 0.000 0.220 409 G HA3 0.105 4.067 3.960 0.003 0.000 0.220 409 G C 0.933 175.945 174.900 0.186 0.000 1.130 409 G CA 0.642 45.853 45.100 0.184 0.000 0.760 409 G HN 0.891 nan 8.290 nan 0.000 0.557 410 G N -0.466 108.384 108.800 0.084 0.000 2.645 410 G HA2 0.227 4.188 3.960 0.003 0.000 0.246 410 G HA3 0.227 4.188 3.960 0.003 0.000 0.246 410 G C 0.544 175.473 174.900 0.049 0.000 1.322 410 G CA 0.328 45.462 45.100 0.056 0.000 0.898 410 G HN 1.497 nan 8.290 nan 0.000 0.573 411 A N -0.632 122.210 122.820 0.036 0.000 2.455 411 A HA 0.789 5.111 4.320 0.003 0.000 0.244 411 A C 1.862 179.468 177.584 0.036 0.000 1.099 411 A CA 2.225 54.279 52.037 0.029 0.000 0.786 411 A CB -0.309 18.703 19.000 0.021 0.000 1.051 411 A HN 3.047 nan 8.150 nan 0.000 0.508 412 G N -0.025 108.791 108.800 0.027 0.000 2.710 412 G HA2 -0.096 3.866 3.960 0.003 0.000 0.668 412 G HA3 -0.096 3.866 3.960 0.003 0.000 0.668 412 G C -0.718 174.200 174.900 0.031 0.000 1.320 412 G CA -0.294 44.821 45.100 0.025 0.000 0.860 412 G HN 1.020 nan 8.290 nan 0.000 0.538 413 N N 2.111 120.826 118.700 0.026 0.000 2.462 413 N HA 0.311 5.052 4.740 0.003 0.000 0.242 413 N C -0.321 175.216 175.510 0.045 0.000 1.010 413 N CA -0.335 52.733 53.050 0.030 0.000 0.939 413 N CB 0.554 39.051 38.487 0.017 0.000 1.127 413 N HN 0.522 nan 8.380 nan 0.000 0.509 414 N N 0.777 119.524 118.700 0.077 0.000 2.384 414 N HA 0.446 5.187 4.740 0.003 0.000 0.301 414 N C -0.466 175.129 175.510 0.143 0.000 1.133 414 N CA -0.143 52.988 53.050 0.134 0.000 0.853 414 N CB 1.880 40.510 38.487 0.238 0.000 1.241 414 N HN 0.200 nan 8.380 nan 0.000 0.502 415 T N 1.049 115.713 114.554 0.185 0.000 2.886 415 T HA 0.375 4.727 4.350 0.003 0.000 0.292 415 T C -0.796 174.066 174.700 0.270 0.000 1.012 415 T CA -0.493 61.708 62.100 0.168 0.000 0.982 415 T CB 1.567 70.501 68.868 0.110 0.000 1.018 415 T HN 0.248 nan 8.240 nan 0.000 0.451 416 L N 3.473 124.811 121.223 0.192 0.000 2.298 416 L HA 0.611 4.953 4.340 0.003 0.000 0.284 416 L C -0.876 176.059 176.870 0.107 0.000 1.013 416 L CA -0.527 54.422 54.840 0.181 0.000 0.824 416 L CB 1.087 43.195 42.059 0.082 0.000 1.221 416 L HN 0.507 nan 8.230 nan 0.000 0.418 417 D N 4.414 124.890 120.400 0.128 0.000 2.359 417 D HA 0.227 4.869 4.640 0.003 0.000 0.230 417 D C 0.640 176.952 176.300 0.021 0.000 1.118 417 D CA -0.087 53.962 54.000 0.081 0.000 0.844 417 D CB 0.919 41.790 40.800 0.119 0.000 1.059 417 D HN 0.658 nan 8.370 nan 0.000 0.493 418 L N 2.755 123.966 121.223 -0.019 0.000 2.446 418 L HA 0.065 4.406 4.340 0.003 0.000 0.219 418 L C 1.237 178.150 176.870 0.072 0.000 1.116 418 L CA 0.058 54.863 54.840 -0.057 0.000 0.844 418 L CB -0.306 41.554 42.059 -0.332 0.000 0.970 418 L HN 0.552 nan 8.230 nan 0.000 0.457 419 Q N -0.586 119.253 119.800 0.064 0.000 2.406 419 Q HA -0.232 4.109 4.340 0.003 0.000 0.236 419 Q C -0.269 175.793 176.000 0.102 0.000 0.799 419 Q CA 1.270 57.109 55.803 0.060 0.000 1.286 419 Q CB -1.107 27.636 28.738 0.008 0.000 1.615 419 Q HN 0.520 nan 8.270 nan 0.000 0.621 420 K N -0.488 120.021 120.400 0.182 0.000 2.469 420 K HA 0.520 4.842 4.320 0.003 0.000 0.268 420 K C -0.642 176.108 176.600 0.250 0.000 1.027 420 K CA -0.565 55.845 56.287 0.204 0.000 0.893 420 K CB 1.795 34.443 32.500 0.247 0.000 1.460 420 K HN -0.016 nan 8.250 nan 0.000 0.449 421 S N 0.363 116.177 115.700 0.190 0.000 2.549 421 S HA -0.000 4.471 4.470 0.003 0.000 0.283 421 S C 1.199 175.980 174.600 0.301 0.000 1.320 421 S CA -0.392 57.920 58.200 0.187 0.000 1.058 421 S CB 1.000 64.264 63.200 0.107 0.000 0.882 421 S HN 0.479 nan 8.310 nan 0.000 0.498 422 V N 5.242 125.322 119.914 0.277 0.000 2.546 422 V HA -0.225 3.896 4.120 0.003 0.000 0.254 422 V C 1.690 177.990 176.094 0.344 0.000 1.076 422 V CA 2.719 65.209 62.300 0.318 0.000 1.087 422 V CB -1.025 30.848 31.823 0.083 0.000 0.674 422 V HN 0.954 nan 8.190 nan 0.000 0.470 423 N N -0.112 118.709 118.700 0.201 0.000 2.453 423 N HA -0.111 4.631 4.740 0.003 0.000 0.183 423 N C 1.491 177.032 175.510 0.052 0.000 1.041 423 N CA 1.419 54.542 53.050 0.122 0.000 0.900 423 N CB -0.174 38.355 38.487 0.070 0.000 0.961 423 N HN 0.718 nan 8.380 nan 0.000 0.443 424 T N -2.433 112.118 114.554 -0.005 0.000 3.169 424 T HA 0.177 4.529 4.350 0.003 0.000 0.250 424 T C 0.016 174.411 174.700 -0.509 0.000 1.111 424 T CA -0.015 61.926 62.100 -0.264 0.000 1.010 424 T CB -0.322 68.320 68.868 -0.376 0.000 0.984 424 T HN -0.088 nan 8.240 nan 0.000 0.537 425 F N 0.981 120.884 119.950 -0.079 0.000 2.593 425 F HA 0.608 5.137 4.527 0.003 0.000 0.320 425 F C -0.347 175.280 175.800 -0.289 0.000 1.060 425 F CA -1.476 56.360 58.000 -0.274 0.000 0.940 425 F CB 1.630 40.310 39.000 -0.533 0.000 1.268 425 F HN -0.070 nan 8.300 nan 0.000 0.475 426 D N 1.364 121.656 120.400 -0.180 0.000 2.248 426 D HA 0.418 5.060 4.640 0.003 0.000 0.246 426 D C -1.150 174.904 176.300 -0.410 0.000 1.027 426 D CA -0.105 53.816 54.000 -0.132 0.000 0.853 426 D CB 1.934 42.751 40.800 0.030 0.000 1.243 426 D HN 0.147 nan 8.370 nan 0.000 0.462 427 F N 0.746 120.706 119.950 0.016 0.000 2.495 427 F HA 0.640 5.169 4.527 0.003 0.000 0.327 427 F C 0.404 176.098 175.800 -0.177 0.000 1.103 427 F CA -0.842 57.146 58.000 -0.019 0.000 0.949 427 F CB 1.933 41.010 39.000 0.128 0.000 1.142 427 F HN 0.271 nan 8.300 nan 0.000 0.457 428 A N 2.709 125.339 122.820 -0.315 0.000 2.454 428 A HA 0.744 5.066 4.320 0.003 0.000 0.302 428 A C -1.486 175.788 177.584 -0.517 0.000 1.079 428 A CA -0.682 50.979 52.037 -0.626 0.000 0.731 428 A CB 1.889 19.999 19.000 -1.482 0.000 1.299 428 A HN 0.676 nan 8.150 nan 0.000 0.413 429 N N 0.380 118.684 118.700 -0.660 0.000 2.336 429 N HA 0.249 4.990 4.740 0.003 0.000 0.290 429 N C -1.064 174.040 175.510 -0.678 0.000 1.058 429 N CA -0.218 52.434 53.050 -0.664 0.000 0.865 429 N CB 2.195 40.062 38.487 -1.033 0.000 1.581 429 N HN 0.675 nan 8.380 nan 0.000 0.480 430 D N 1.714 121.666 120.400 -0.747 0.000 2.339 430 D HA 0.172 4.814 4.640 0.003 0.000 0.217 430 D C 1.146 177.205 176.300 -0.402 0.000 1.050 430 D CA 0.721 54.115 54.000 -1.010 0.000 0.856 430 D CB -0.186 39.975 40.800 -1.065 0.000 0.922 430 D HN 0.828 nan 8.370 nan 0.000 0.518 431 G N -0.010 108.627 108.800 -0.271 0.000 2.184 431 G HA2 -0.232 3.729 3.960 0.003 0.000 0.264 431 G HA3 -0.232 3.729 3.960 0.003 0.000 0.264 431 G C 0.808 175.649 174.900 -0.099 0.000 0.975 431 G CA 0.319 45.338 45.100 -0.135 0.000 0.642 431 G HN 0.968 nan 8.290 nan 0.000 0.536 432 A N -0.452 122.296 122.820 -0.120 0.000 2.637 432 A HA 0.710 5.032 4.320 0.003 0.000 0.293 432 A C 2.011 179.550 177.584 -0.075 0.000 1.216 432 A CA 1.361 53.356 52.037 -0.070 0.000 0.956 432 A CB -0.323 18.653 19.000 -0.041 0.000 1.174 432 A HN 2.301 nan 8.150 nan 0.000 0.525 433 G N -0.036 108.704 108.800 -0.100 0.000 2.195 433 G HA2 -0.220 3.741 3.960 0.003 0.000 0.246 433 G HA3 -0.220 3.741 3.960 0.003 0.000 0.246 433 G C -0.189 174.623 174.900 -0.146 0.000 0.984 433 G CA 0.007 45.049 45.100 -0.098 0.000 0.633 433 G HN 0.492 nan 8.290 nan 0.000 0.525 434 N N 0.499 119.077 118.700 -0.202 0.000 2.426 434 N HA 0.503 5.245 4.740 0.003 0.000 0.257 434 N C -0.621 174.634 175.510 -0.425 0.000 1.002 434 N CA -0.234 52.601 53.050 -0.357 0.000 0.942 434 N CB 2.040 40.254 38.487 -0.455 0.000 1.112 434 N HN 0.368 nan 8.380 nan 0.000 0.499 435 L N 3.801 124.786 121.223 -0.397 0.000 2.265 435 L HA 0.410 4.752 4.340 0.003 0.000 0.289 435 L C -1.297 175.369 176.870 -0.339 0.000 1.033 435 L CA -0.576 54.092 54.840 -0.287 0.000 0.814 435 L CB 0.175 42.151 42.059 -0.138 0.000 1.203 435 L HN 0.347 nan 8.230 nan 0.000 0.423 436 Y N 4.283 124.489 120.300 -0.156 0.000 2.320 436 Y HA 0.561 5.112 4.550 0.003 0.000 0.334 436 Y C -0.029 175.790 175.900 -0.134 0.000 1.055 436 Y CA -0.780 57.262 58.100 -0.097 0.000 1.143 436 Y CB 1.495 39.918 38.460 -0.062 0.000 1.193 436 Y HN 0.281 nan 8.280 nan 0.000 0.477 437 V N 5.001 124.925 119.914 0.017 0.000 2.350 437 V HA 0.431 4.553 4.120 0.003 0.000 0.285 437 V C -0.330 175.733 176.094 -0.051 0.000 1.014 437 V CA -1.013 61.190 62.300 -0.161 0.000 0.831 437 V CB 1.218 32.916 31.823 -0.207 0.000 1.000 437 V HN 0.707 nan 8.190 nan 0.000 0.433 438 R N 3.363 123.831 120.500 -0.054 0.000 2.295 438 R HA 0.476 4.818 4.340 0.003 0.000 0.324 438 R C -0.480 175.845 176.300 0.041 0.000 0.968 438 R CA -0.558 55.570 56.100 0.046 0.000 0.837 438 R CB 1.192 31.589 30.300 0.162 0.000 1.133 438 R HN 0.911 nan 8.270 nan 0.000 0.450 439 D N 3.418 123.830 120.400 0.020 0.000 2.383 439 D HA 0.128 4.770 4.640 0.003 0.000 0.248 439 D C 0.915 177.072 176.300 -0.238 0.000 1.170 439 D CA -0.299 53.619 54.000 -0.137 0.000 0.977 439 D CB 0.881 41.640 40.800 -0.069 0.000 1.120 439 D HN 0.438 nan 8.370 nan 0.000 0.481 440 A N 0.561 123.159 122.820 -0.369 0.000 2.076 440 A HA -0.220 4.102 4.320 0.003 0.000 0.220 440 A C 1.467 178.961 177.584 -0.152 0.000 1.160 440 A CA 1.193 53.085 52.037 -0.243 0.000 0.653 440 A CB -0.736 18.108 19.000 -0.261 0.000 0.801 440 A HN 0.571 nan 8.150 nan 0.000 0.455 441 N N -1.025 117.587 118.700 -0.146 0.000 2.322 441 N HA 0.195 4.936 4.740 0.003 0.000 0.194 441 N C 1.184 176.648 175.510 -0.076 0.000 1.126 441 N CA 1.007 53.998 53.050 -0.097 0.000 0.845 441 N CB 0.423 38.856 38.487 -0.090 0.000 0.976 441 N HN 0.631 nan 8.380 nan 0.000 0.475 442 G N -0.415 108.334 108.800 -0.084 0.000 2.199 442 G HA2 -0.235 3.727 3.960 0.003 0.000 0.254 442 G HA3 -0.235 3.727 3.960 0.003 0.000 0.254 442 G C 0.535 175.347 174.900 -0.148 0.000 0.982 442 G CA 0.037 45.108 45.100 -0.048 0.000 0.632 442 G HN 0.595 nan 8.290 nan 0.000 0.529 443 G N 0.002 108.597 108.800 -0.340 0.000 2.365 443 G HA2 0.491 4.453 3.960 0.003 0.000 0.249 443 G HA3 0.491 4.453 3.960 0.003 0.000 0.249 443 G C -0.009 174.613 174.900 -0.464 0.000 1.288 443 G CA -0.043 44.567 45.100 -0.817 0.000 0.887 443 G HN 0.691 nan 8.290 nan 0.000 0.524 444 I N 1.233 121.535 120.570 -0.447 0.000 2.404 444 I HA 0.234 4.406 4.170 0.003 0.000 0.293 444 I C 0.122 176.234 176.117 -0.008 0.000 0.992 444 I CA -0.365 60.927 61.300 -0.014 0.000 1.149 444 I CB 2.101 40.243 38.000 0.237 0.000 1.315 444 I HN 0.278 nan 8.210 nan 0.000 0.446 445 S N 6.735 122.433 115.700 -0.004 0.000 2.433 445 S HA 0.561 5.033 4.470 0.003 0.000 0.310 445 S C -0.172 174.414 174.600 -0.024 0.000 1.097 445 S CA -0.530 57.647 58.200 -0.038 0.000 1.103 445 S CB 0.849 63.996 63.200 -0.089 0.000 0.992 445 S HN 0.332 nan 8.310 nan 0.000 0.469 446 I N 3.883 124.426 120.570 -0.045 0.000 2.312 446 I HA 0.265 4.436 4.170 0.003 0.000 0.291 446 I C 0.720 176.723 176.117 -0.189 0.000 1.031 446 I CA -0.255 60.930 61.300 -0.191 0.000 1.293 446 I CB 0.849 38.782 38.000 -0.111 0.000 1.403 446 I HN 0.549 nan 8.210 nan 0.000 0.484 447 T N 4.196 118.596 114.554 -0.258 0.000 2.885 447 T HA 0.663 5.015 4.350 0.003 0.000 0.285 447 T C -0.335 174.252 174.700 -0.190 0.000 1.019 447 T CA -0.962 61.020 62.100 -0.197 0.000 1.010 447 T CB 1.947 70.712 68.868 -0.171 0.000 1.022 447 T HN 0.561 nan 8.240 nan 0.000 0.466 448 R N 1.611 122.028 120.500 -0.139 0.000 2.686 448 R HA 0.423 4.764 4.340 0.003 0.000 0.283 448 R C -0.790 175.468 176.300 -0.070 0.000 0.978 448 R CA -0.855 55.183 56.100 -0.103 0.000 0.897 448 R CB 1.336 31.589 30.300 -0.078 0.000 1.192 448 R HN 0.853 nan 8.270 nan 0.000 0.457 449 D N 1.264 121.636 120.400 -0.046 0.000 2.911 449 D HA -0.199 4.442 4.640 0.003 0.000 0.227 449 D C -0.478 175.831 176.300 0.015 0.000 1.164 449 D CA 1.150 55.144 54.000 -0.009 0.000 0.782 449 D CB -0.803 40.001 40.800 0.006 0.000 1.094 449 D HN 0.403 nan 8.370 nan 0.000 0.425 450 I N 0.589 121.155 120.570 -0.006 0.000 2.337 450 I HA 0.282 4.453 4.170 0.003 0.000 0.285 450 I C 1.678 177.805 176.117 0.017 0.000 1.041 450 I CA -0.023 61.294 61.300 0.027 0.000 1.199 450 I CB 1.622 39.626 38.000 0.006 0.000 1.370 450 I HN 0.010 nan 8.210 nan 0.000 0.470 451 G N 3.517 112.334 108.800 0.029 0.000 2.939 451 G HA2 0.089 4.051 3.960 0.003 0.000 0.210 451 G HA3 0.089 4.051 3.960 0.003 0.000 0.210 451 G C 0.367 175.278 174.900 0.019 0.000 1.160 451 G CA 0.092 45.202 45.100 0.017 0.000 0.770 451 G HN 0.504 nan 8.290 nan 0.000 0.543 452 S N 0.304 116.024 115.700 0.034 0.000 2.532 452 S HA 0.635 5.107 4.470 0.003 0.000 0.299 452 S C -0.998 173.628 174.600 0.044 0.000 1.105 452 S CA -0.542 57.680 58.200 0.037 0.000 1.018 452 S CB 2.074 65.300 63.200 0.043 0.000 1.021 452 S HN 0.014 nan 8.310 nan 0.000 0.483 453 I N 2.925 123.516 120.570 0.036 0.000 2.406 453 I HA 0.451 4.623 4.170 0.003 0.000 0.290 453 I C -0.486 175.697 176.117 0.110 0.000 0.999 453 I CA -0.792 60.520 61.300 0.021 0.000 1.124 453 I CB 1.471 39.397 38.000 -0.124 0.000 1.289 453 I HN 0.300 nan 8.210 nan 0.000 0.441 454 V N 5.528 125.498 119.914 0.093 0.000 2.435 454 V HA 0.614 4.735 4.120 0.003 0.000 0.290 454 V C 0.428 176.588 176.094 0.110 0.000 1.030 454 V CA -0.363 62.010 62.300 0.122 0.000 0.881 454 V CB 1.790 33.669 31.823 0.094 0.000 0.983 454 V HN 0.958 nan 8.190 nan 0.000 0.445 455 T N 1.670 116.327 114.554 0.171 0.000 2.907 455 T HA 0.618 4.969 4.350 0.003 0.000 0.290 455 T C -0.787 173.996 174.700 0.140 0.000 1.066 455 T CA -1.061 61.138 62.100 0.164 0.000 1.012 455 T CB 2.188 71.190 68.868 0.222 0.000 1.184 455 T HN 0.440 nan 8.240 nan 0.000 0.522 456 K N 1.468 121.944 120.400 0.126 0.000 2.235 456 K HA 0.396 4.717 4.320 0.003 0.000 0.266 456 K C -0.840 175.815 176.600 0.092 0.000 0.980 456 K CA -0.713 55.629 56.287 0.092 0.000 0.849 456 K CB 1.205 33.749 32.500 0.073 0.000 1.098 456 K HN 0.564 nan 8.250 nan 0.000 0.445 457 E N 3.509 123.751 120.200 0.071 0.000 2.795 457 E HA 0.248 4.600 4.350 0.003 0.000 0.226 457 E C -2.340 174.284 176.600 0.039 0.000 1.088 457 E CA -1.916 54.522 56.400 0.062 0.000 0.812 457 E CB 0.834 30.571 29.700 0.062 0.000 1.328 457 E HN 0.424 nan 8.360 nan 0.000 0.410 468 D N 0.546 120.965 120.400 0.031 0.000 2.390 468 D HA 0.332 4.974 4.640 0.003 0.000 0.249 468 D C 0.046 176.355 176.300 0.016 0.000 1.144 468 D CA 0.180 54.203 54.000 0.038 0.000 0.880 468 D CB 1.689 42.513 40.800 0.041 0.000 1.182 468 D HN -0.019 nan 8.370 nan 0.000 0.451 469 V N 2.364 122.289 119.914 0.019 0.000 2.588 469 V HA 0.319 4.441 4.120 0.003 0.000 0.304 469 V C 0.084 176.141 176.094 -0.062 0.000 1.042 469 V CA -0.673 61.589 62.300 -0.063 0.000 0.877 469 V CB 2.327 34.093 31.823 -0.095 0.000 0.996 469 V HN 0.478 nan 8.190 nan 0.000 0.425 470 T N 4.008 118.489 114.554 -0.122 0.000 2.758 470 T HA 0.526 4.878 4.350 0.003 0.000 0.285 470 T C -0.685 173.916 174.700 -0.166 0.000 0.981 470 T CA -0.317 61.749 62.100 -0.056 0.000 0.965 470 T CB 0.248 69.100 68.868 -0.025 0.000 0.927 470 T HN 0.687 nan 8.240 nan 0.000 0.448 471 H N 0.622 119.649 119.070 -0.072 0.000 2.458 471 H HA 0.525 5.083 4.556 0.003 0.000 0.330 471 H C 0.165 175.435 175.328 -0.097 0.000 1.111 471 H CA -0.527 55.456 56.048 -0.108 0.000 1.245 471 H CB 0.855 30.507 29.762 -0.184 0.000 1.456 471 H HN 0.418 nan 8.280 nan 0.000 0.488 472 S N 1.727 117.435 115.700 0.014 0.000 2.545 472 S HA 0.224 4.696 4.470 0.003 0.000 0.275 472 S C 0.012 174.598 174.600 -0.023 0.000 1.299 472 S CA -0.856 57.339 58.200 -0.008 0.000 1.048 472 S CB 0.811 63.998 63.200 -0.022 0.000 0.938 472 S HN 0.333 nan 8.310 nan 0.000 0.496 473 V N 4.280 124.186 119.914 -0.012 0.000 2.368 473 V HA 0.448 4.569 4.120 0.003 0.000 0.266 473 V C 0.731 176.839 176.094 0.024 0.000 1.045 473 V CA -0.303 62.001 62.300 0.007 0.000 0.899 473 V CB 0.355 32.187 31.823 0.015 0.000 1.006 473 V HN 1.061 nan 8.190 nan 0.000 0.470 474 T N 1.940 116.516 114.554 0.036 0.000 2.887 474 T HA 0.685 5.037 4.350 0.003 0.000 0.292 474 T C 1.037 175.802 174.700 0.108 0.000 1.087 474 T CA -0.033 62.086 62.100 0.032 0.000 1.009 474 T CB 2.108 70.966 68.868 -0.017 0.000 1.203 474 T HN 0.516 nan 8.240 nan 0.000 0.518 475 A N 0.958 123.826 122.820 0.079 0.000 2.019 475 A HA 0.076 4.397 4.320 0.003 0.000 0.219 475 A C 2.225 179.903 177.584 0.156 0.000 1.164 475 A CA 1.813 53.920 52.037 0.117 0.000 0.644 475 A CB -1.084 17.948 19.000 0.052 0.000 0.805 475 A HN 1.360 nan 8.150 nan 0.000 0.449 476 S N -1.946 113.777 115.700 0.038 0.000 2.597 476 S HA 0.506 4.977 4.470 0.003 0.000 0.224 476 S C 0.691 175.132 174.600 -0.266 0.000 0.955 476 S CA 0.606 58.783 58.200 -0.039 0.000 0.933 476 S CB -0.417 62.757 63.200 -0.043 0.000 0.788 476 S HN 1.814 nan 8.310 nan 0.000 0.488 477 G N 0.633 109.107 108.800 -0.542 0.000 2.359 477 G HA2 0.164 4.126 3.960 0.003 0.000 0.303 477 G HA3 0.164 4.126 3.960 0.003 0.000 0.303 477 G C -1.569 172.964 174.900 -0.612 0.000 1.293 477 G CA -1.098 43.391 45.100 -1.019 0.000 0.964 477 G HN 0.312 nan 8.290 nan 0.000 0.531 478 L N 0.627 121.530 121.223 -0.533 0.000 2.290 478 L HA 0.481 4.823 4.340 0.003 0.000 0.284 478 L C 0.441 177.223 176.870 -0.147 0.000 1.078 478 L CA -0.269 54.390 54.840 -0.302 0.000 0.815 478 L CB 1.086 42.871 42.059 -0.458 0.000 1.162 478 L HN 0.415 nan 8.230 nan 0.000 0.435 479 K N 2.821 123.174 120.400 -0.079 0.000 2.270 479 K HA 0.564 4.886 4.320 0.003 0.000 0.255 479 K C -1.137 175.416 176.600 -0.078 0.000 0.936 479 K CA -0.699 55.546 56.287 -0.070 0.000 0.809 479 K CB 2.761 35.216 32.500 -0.075 0.000 1.131 479 K HN 0.246 nan 8.250 nan 0.000 0.427 480 V N 3.193 123.040 119.914 -0.112 0.000 2.304 480 V HA 0.320 4.442 4.120 0.003 0.000 0.278 480 V C 0.906 176.939 176.094 -0.101 0.000 1.018 480 V CA -0.091 62.114 62.300 -0.159 0.000 0.814 480 V CB 0.136 31.805 31.823 -0.256 0.000 1.021 480 V HN 1.144 nan 8.190 nan 0.000 0.440 481 G N 5.353 114.104 108.800 -0.081 0.000 2.660 481 G HA2 -0.370 3.592 3.960 0.003 0.000 0.321 481 G HA3 -0.370 3.592 3.960 0.003 0.000 0.321 481 G C 1.245 176.113 174.900 -0.054 0.000 1.246 481 G CA 0.961 46.026 45.100 -0.059 0.000 1.000 481 G HN 1.228 nan 8.290 nan 0.000 0.550 482 S N 0.917 116.588 115.700 -0.048 0.000 2.527 482 S HA 0.124 4.595 4.470 0.003 0.000 0.222 482 S C 0.788 175.359 174.600 -0.048 0.000 0.985 482 S CA 0.790 58.963 58.200 -0.044 0.000 0.921 482 S CB -0.049 63.129 63.200 -0.036 0.000 0.772 482 S HN 0.650 nan 8.310 nan 0.000 0.529 483 N N 1.970 120.638 118.700 -0.054 0.000 2.472 483 N HA 0.381 5.122 4.740 0.003 0.000 0.277 483 N C -1.119 174.357 175.510 -0.057 0.000 1.081 483 N CA -0.099 52.921 53.050 -0.051 0.000 0.973 483 N CB 1.821 40.278 38.487 -0.050 0.000 1.105 483 N HN 0.044 nan 8.380 nan 0.000 0.470 484 V N 1.720 121.599 119.914 -0.058 0.000 2.495 484 V HA 0.291 4.412 4.120 0.003 0.000 0.298 484 V C 0.247 176.293 176.094 -0.079 0.000 1.031 484 V CA -0.680 61.568 62.300 -0.086 0.000 0.871 484 V CB 1.884 33.645 31.823 -0.105 0.000 0.988 484 V HN 0.562 nan 8.190 nan 0.000 0.432 485 T N 4.827 119.315 114.554 -0.109 0.000 2.738 485 T HA 0.309 4.661 4.350 0.003 0.000 0.298 485 T C -0.033 174.543 174.700 -0.206 0.000 0.962 485 T CA -0.184 61.847 62.100 -0.116 0.000 0.972 485 T CB 0.483 69.270 68.868 -0.136 0.000 0.928 485 T HN 0.669 nan 8.240 nan 0.000 0.474 486 Q N 2.049 121.770 119.800 -0.132 0.000 2.364 486 Q HA 0.183 4.525 4.340 0.003 0.000 0.267 486 Q C -0.477 175.468 176.000 -0.091 0.000 0.999 486 Q CA -0.374 55.334 55.803 -0.158 0.000 0.886 486 Q CB 0.476 29.176 28.738 -0.062 0.000 1.243 486 Q HN 0.550 nan 8.270 nan 0.000 0.415 487 Y N 1.188 121.481 120.300 -0.011 0.000 2.597 487 Y HA -0.089 4.463 4.550 0.003 0.000 0.336 487 Y C 0.258 176.141 175.900 -0.027 0.000 1.216 487 Y CA -0.244 57.846 58.100 -0.017 0.000 1.463 487 Y CB -0.024 38.410 38.460 -0.043 0.000 1.303 487 Y HN 0.589 nan 8.280 nan 0.000 0.576 488 D N 1.384 121.842 120.400 0.096 0.000 2.730 488 D HA 0.172 4.814 4.640 0.003 0.000 0.225 488 D C -0.069 176.264 176.300 0.054 0.000 1.107 488 D CA 0.849 54.866 54.000 0.029 0.000 0.837 488 D CB 0.412 41.191 40.800 -0.034 0.000 1.171 488 D HN 0.767 nan 8.370 nan 0.000 0.498 489 A N 2.929 125.800 122.820 0.084 0.000 2.608 489 A HA 0.156 4.478 4.320 0.003 0.000 0.246 489 A C 0.206 177.862 177.584 0.120 0.000 0.998 489 A CA 0.673 52.762 52.037 0.087 0.000 0.796 489 A CB 0.083 19.119 19.000 0.061 0.000 0.895 489 A HN 0.373 nan 8.150 nan 0.000 0.508 490 S N 0.384 116.155 115.700 0.118 0.000 2.588 490 S HA 0.625 5.097 4.470 0.003 0.000 0.275 490 S C -0.844 173.828 174.600 0.119 0.000 1.130 490 S CA -0.556 57.722 58.200 0.130 0.000 0.855 490 S CB 2.017 65.372 63.200 0.258 0.000 1.116 490 S HN 0.856 nan 8.310 nan 0.000 0.472 491 V N 2.583 122.537 119.914 0.067 0.000 2.376 491 V HA 0.423 4.545 4.120 0.003 0.000 0.287 491 V C -0.384 175.790 176.094 0.133 0.000 1.015 491 V CA -0.712 61.632 62.300 0.074 0.000 0.834 491 V CB 1.304 33.121 31.823 -0.011 0.000 1.001 491 V HN 0.687 nan 8.190 nan 0.000 0.428 492 K N 2.931 123.437 120.400 0.176 0.000 2.201 492 K HA 0.615 4.936 4.320 0.003 0.000 0.278 492 K C 0.712 177.391 176.600 0.132 0.000 1.027 492 K CA -0.076 56.336 56.287 0.209 0.000 0.909 492 K CB 1.861 34.446 32.500 0.140 0.000 1.062 492 K HN 0.854 nan 8.250 nan 0.000 0.465 493 G N 0.921 109.805 108.800 0.140 0.000 2.630 493 G HA2 0.362 4.323 3.960 0.003 0.000 0.223 493 G HA3 0.362 4.323 3.960 0.003 0.000 0.223 493 G C -0.256 174.694 174.900 0.083 0.000 1.434 493 G CA -0.242 44.918 45.100 0.099 0.000 1.057 493 G HN 0.615 nan 8.290 nan 0.000 0.570 494 T N -3.955 110.644 114.554 0.075 0.000 2.831 494 T HA 0.327 4.679 4.350 0.003 0.000 0.287 494 T C 0.486 175.226 174.700 0.066 0.000 1.070 494 T CA -0.680 61.457 62.100 0.061 0.000 1.010 494 T CB 1.533 70.432 68.868 0.051 0.000 1.264 494 T HN 0.315 nan 8.240 nan 0.000 0.532 495 N N -0.453 118.281 118.700 0.057 0.000 2.461 495 N HA 0.211 4.953 4.740 0.003 0.000 0.188 495 N C 1.031 176.576 175.510 0.058 0.000 1.134 495 N CA -0.115 52.970 53.050 0.059 0.000 0.878 495 N CB 0.065 38.582 38.487 0.050 0.000 0.972 495 N HN 0.750 nan 8.380 nan 0.000 0.456 496 G N 0.113 108.947 108.800 0.055 0.000 2.563 496 G HA2 0.535 4.496 3.960 0.003 0.000 0.283 496 G HA3 0.535 4.496 3.960 0.003 0.000 0.283 496 G C -0.507 174.432 174.900 0.064 0.000 1.309 496 G CA -0.569 44.564 45.100 0.054 0.000 1.022 496 G HN 0.154 nan 8.290 nan 0.000 0.501 497 A N 0.422 123.280 122.820 0.063 0.000 2.451 497 A HA 0.489 4.810 4.320 0.003 0.000 0.266 497 A C -0.228 177.400 177.584 0.074 0.000 1.119 497 A CA -0.237 51.844 52.037 0.073 0.000 0.786 497 A CB 0.012 19.053 19.000 0.068 0.000 1.061 497 A HN 0.552 nan 8.150 nan 0.000 0.503 498 D N 1.773 122.225 120.400 0.085 0.000 2.457 498 D HA 0.449 5.091 4.640 0.003 0.000 0.240 498 D C -0.805 175.546 176.300 0.085 0.000 1.041 498 D CA -0.156 53.889 54.000 0.075 0.000 0.861 498 D CB 1.894 42.736 40.800 0.070 0.000 1.394 498 D HN 0.367 nan 8.370 nan 0.000 0.473 499 T N 1.548 116.137 114.554 0.058 0.000 2.758 499 T HA 0.484 4.836 4.350 0.003 0.000 0.285 499 T C 0.059 174.744 174.700 -0.025 0.000 0.981 499 T CA -0.533 61.581 62.100 0.023 0.000 0.965 499 T CB 0.578 69.457 68.868 0.018 0.000 0.927 499 T HN 0.099 nan 8.240 nan 0.000 0.448 500 L N 3.229 124.419 121.223 -0.054 0.000 2.362 500 L HA 0.640 4.982 4.340 0.003 0.000 0.275 500 L C -0.143 176.647 176.870 -0.133 0.000 0.998 500 L CA -1.019 53.778 54.840 -0.072 0.000 0.820 500 L CB 2.111 44.143 42.059 -0.044 0.000 1.270 500 L HN 0.428 nan 8.230 nan 0.000 0.415 501 K N 2.373 122.675 120.400 -0.164 0.000 2.376 501 K HA 0.764 5.085 4.320 0.003 0.000 0.257 501 K C -0.632 175.792 176.600 -0.294 0.000 0.939 501 K CA -0.413 55.750 56.287 -0.206 0.000 0.809 501 K CB 1.985 34.375 32.500 -0.184 0.000 1.121 501 K HN 0.693 nan 8.250 nan 0.000 0.425 502 A N 3.295 125.951 122.820 -0.273 0.000 2.351 502 A HA 0.277 4.599 4.320 0.003 0.000 0.257 502 A C -0.776 176.626 177.584 -0.302 0.000 1.087 502 A CA -0.216 51.652 52.037 -0.282 0.000 0.798 502 A CB -0.061 18.778 19.000 -0.269 0.000 1.033 502 A HN 0.894 nan 8.150 nan 0.000 0.488 503 H N 0.420 119.440 119.070 -0.084 0.000 2.603 503 H HA 0.396 4.953 4.556 0.003 0.000 0.370 503 H C 1.463 176.754 175.328 -0.060 0.000 1.225 503 H CA 0.444 56.458 56.048 -0.057 0.000 1.410 503 H CB 0.911 30.648 29.762 -0.042 0.000 1.495 503 H HN 0.731 nan 8.280 nan 0.000 0.602 504 A N 1.699 124.566 122.820 0.078 0.000 1.978 504 A HA -0.136 4.185 4.320 0.003 0.000 0.220 504 A C 2.469 180.058 177.584 0.010 0.000 1.170 504 A CA 1.646 53.696 52.037 0.022 0.000 0.636 504 A CB -1.217 17.795 19.000 0.019 0.000 0.810 504 A HN 0.870 nan 8.150 nan 0.000 0.448 505 G N -1.074 107.742 108.800 0.026 0.000 2.535 505 G HA2 0.373 4.335 3.960 0.003 0.000 0.218 505 G HA3 0.373 4.335 3.960 0.003 0.000 0.218 505 G C 0.938 175.830 174.900 -0.013 0.000 1.122 505 G CA 0.720 45.823 45.100 0.004 0.000 0.769 505 G HN 1.759 nan 8.290 nan 0.000 0.549 506 G N -0.813 107.970 108.800 -0.028 0.000 3.055 506 G HA2 0.080 4.042 3.960 0.003 0.000 0.686 506 G HA3 0.080 4.042 3.960 0.003 0.000 0.686 506 G C -1.369 173.488 174.900 -0.072 0.000 1.087 506 G CA -0.298 44.749 45.100 -0.088 0.000 0.779 506 G HN 0.244 nan 8.290 nan 0.000 0.599 507 D N 0.139 120.437 120.400 -0.170 0.000 2.581 507 D HA 0.504 5.145 4.640 0.003 0.000 0.232 507 D C -0.542 175.588 176.300 -0.283 0.000 1.143 507 D CA -0.358 53.573 54.000 -0.114 0.000 0.881 507 D CB 1.223 41.961 40.800 -0.103 0.000 1.500 507 D HN 0.362 nan 8.370 nan 0.000 0.458 508 W N 1.488 122.529 121.300 -0.433 0.000 2.311 508 W HA 0.385 5.047 4.660 0.003 0.000 0.310 508 W C 0.030 176.019 176.519 -0.882 0.000 1.274 508 W CA -0.267 56.640 57.345 -0.730 0.000 1.215 508 W CB 0.339 29.347 29.460 -0.753 0.000 1.227 508 W HN 0.007 nan 8.180 nan 0.000 0.523 509 L N 5.009 125.751 121.223 -0.801 0.000 2.298 509 L HA 0.438 4.780 4.340 0.003 0.000 0.284 509 L C -0.945 175.616 176.870 -0.514 0.000 1.013 509 L CA -0.856 53.638 54.840 -0.577 0.000 0.824 509 L CB 0.516 42.260 42.059 -0.524 0.000 1.221 509 L HN 0.186 nan 8.230 nan 0.000 0.418 510 F N 1.485 121.415 119.950 -0.033 0.000 2.311 510 F HA 0.336 4.865 4.527 0.003 0.000 0.371 510 F C 1.320 177.138 175.800 0.031 0.000 1.083 510 F CA -0.724 57.278 58.000 0.004 0.000 1.113 510 F CB 1.345 40.359 39.000 0.023 0.000 1.349 510 F HN 0.540 nan 8.300 nan 0.000 0.470 511 G N 2.841 111.755 108.800 0.191 0.000 2.422 511 G HA2 -0.014 3.948 3.960 0.003 0.000 0.218 511 G HA3 -0.014 3.948 3.960 0.003 0.000 0.218 511 G C 0.984 175.980 174.900 0.160 0.000 1.140 511 G CA 0.470 45.665 45.100 0.158 0.000 0.775 511 G HN 0.639 nan 8.290 nan 0.000 0.545 512 L N -1.101 120.231 121.223 0.182 0.000 7.187 512 L HA -0.226 4.115 4.340 0.003 0.000 0.053 512 L C -0.129 176.820 176.870 0.132 0.000 1.569 512 L CA 1.203 56.130 54.840 0.146 0.000 1.592 512 L CB -1.213 40.911 42.059 0.110 0.000 2.792 512 L HN 0.128 nan 8.230 nan 0.000 1.114 513 D N 0.423 120.888 120.400 0.108 0.000 2.348 513 D HA 0.542 5.184 4.640 0.003 0.000 0.249 513 D C 0.444 176.803 176.300 0.097 0.000 1.110 513 D CA 1.123 55.183 54.000 0.100 0.000 0.967 513 D CB 1.197 42.045 40.800 0.080 0.000 1.139 513 D HN 1.000 nan 8.370 nan 0.000 0.466 514 G N 0.578 109.433 108.800 0.092 0.000 2.663 514 G HA2 -0.176 3.786 3.960 0.003 0.000 0.686 514 G HA3 -0.176 3.786 3.960 0.003 0.000 0.686 514 G C -0.810 174.150 174.900 0.099 0.000 1.246 514 G CA -0.988 44.164 45.100 0.086 0.000 0.795 514 G HN 0.422 nan 8.290 nan 0.000 0.627 515 N N 2.101 120.855 118.700 0.090 0.000 2.415 515 N HA 0.356 5.097 4.740 0.003 0.000 0.250 515 N C -0.345 175.230 175.510 0.108 0.000 1.127 515 N CA -0.077 53.030 53.050 0.096 0.000 0.945 515 N CB 0.722 39.254 38.487 0.074 0.000 1.196 515 N HN 0.514 nan 8.380 nan 0.000 0.499 516 D N -0.132 120.349 120.400 0.134 0.000 2.268 516 D HA 0.106 4.748 4.640 0.003 0.000 0.249 516 D C -0.311 176.118 176.300 0.215 0.000 1.008 516 D CA -0.217 53.876 54.000 0.156 0.000 0.939 516 D CB 1.675 42.563 40.800 0.147 0.000 1.170 516 D HN 0.481 nan 8.370 nan 0.000 0.468 517 H N 1.056 120.178 119.070 0.085 0.000 2.638 517 H HA 0.321 4.878 4.556 0.003 0.000 0.317 517 H C -1.179 174.210 175.328 0.101 0.000 1.006 517 H CA -0.905 55.197 56.048 0.089 0.000 1.222 517 H CB 0.649 30.451 29.762 0.067 0.000 1.419 517 H HN -0.016 nan 8.280 nan 0.000 0.489 518 L N 7.192 128.564 121.223 0.249 0.000 2.265 518 L HA 0.320 4.662 4.340 0.003 0.000 0.289 518 L C -0.292 176.698 176.870 0.200 0.000 1.033 518 L CA -0.227 54.722 54.840 0.181 0.000 0.814 518 L CB 1.137 43.402 42.059 0.343 0.000 1.203 518 L HN 0.616 nan 8.230 nan 0.000 0.423 519 I N 3.374 123.946 120.570 0.002 0.000 2.371 519 I HA 0.379 4.551 4.170 0.003 0.000 0.282 519 I C 1.002 177.136 176.117 0.028 0.000 1.031 519 I CA -0.426 60.879 61.300 0.008 0.000 1.180 519 I CB 1.211 39.110 38.000 -0.169 0.000 1.336 519 I HN 0.669 nan 8.210 nan 0.000 0.467 520 G N 3.768 112.701 108.800 0.222 0.000 2.684 520 G HA2 0.518 4.480 3.960 0.003 0.000 0.255 520 G HA3 0.518 4.480 3.960 0.003 0.000 0.255 520 G C 0.213 175.120 174.900 0.012 0.000 1.219 520 G CA -0.015 45.128 45.100 0.071 0.000 0.901 520 G HN 0.666 nan 8.290 nan 0.000 0.548 521 G N -2.218 106.555 108.800 -0.045 0.000 3.107 521 G HA2 0.490 4.452 3.960 0.003 0.000 0.232 521 G HA3 0.490 4.452 3.960 0.003 0.000 0.232 521 G C 1.067 175.959 174.900 -0.013 0.000 1.339 521 G CA 0.386 45.469 45.100 -0.028 0.000 1.033 521 G HN 1.257 nan 8.290 nan 0.000 0.567 522 V N -1.531 118.375 119.914 -0.014 0.000 3.217 522 V HA 0.316 4.437 4.120 0.003 0.000 0.264 522 V C 1.279 177.358 176.094 -0.026 0.000 1.135 522 V CA 1.041 63.334 62.300 -0.012 0.000 1.142 522 V CB -1.043 30.774 31.823 -0.009 0.000 0.754 522 V HN 0.740 nan 8.190 nan 0.000 0.484 523 G N 0.569 109.346 108.800 -0.039 0.000 2.588 523 G HA2 0.299 4.261 3.960 0.003 0.000 0.281 523 G HA3 0.299 4.261 3.960 0.003 0.000 0.281 523 G C -0.518 174.330 174.900 -0.086 0.000 1.236 523 G CA -0.789 44.278 45.100 -0.055 0.000 0.969 523 G HN 0.394 nan 8.290 nan 0.000 0.504 524 N N 1.492 120.131 118.700 -0.103 0.000 2.402 524 N HA 0.219 4.961 4.740 0.003 0.000 0.252 524 N C -0.705 174.661 175.510 -0.241 0.000 1.118 524 N CA 0.018 52.980 53.050 -0.147 0.000 0.945 524 N CB 0.979 39.393 38.487 -0.122 0.000 1.147 524 N HN 0.344 nan 8.380 nan 0.000 0.495 525 D N 0.435 120.637 120.400 -0.330 0.000 2.272 525 D HA 0.413 5.054 4.640 0.003 0.000 0.247 525 D C -0.192 175.657 176.300 -0.752 0.000 0.990 525 D CA -0.429 53.224 54.000 -0.579 0.000 0.931 525 D CB 2.273 42.592 40.800 -0.803 0.000 1.195 525 D HN -0.007 nan 8.370 nan 0.000 0.477 526 V N 1.672 120.962 119.914 -1.039 0.000 2.407 526 V HA 0.321 4.443 4.120 0.003 0.000 0.291 526 V C -0.746 174.724 176.094 -1.040 0.000 1.018 526 V CA -0.741 60.864 62.300 -1.158 0.000 0.842 526 V CB 0.855 31.470 31.823 -2.012 0.000 0.996 526 V HN 0.353 nan 8.190 nan 0.000 0.426 527 F N 3.718 123.157 119.950 -0.851 0.000 2.404 527 F HA 0.585 5.114 4.527 0.003 0.000 0.354 527 F C 0.174 175.661 175.800 -0.522 0.000 1.122 527 F CA -0.726 56.903 58.000 -0.618 0.000 1.080 527 F CB 1.862 40.524 39.000 -0.563 0.000 1.131 527 F HN 0.200 nan 8.300 nan 0.000 0.471 528 V N 3.854 123.625 119.914 -0.238 0.000 2.289 528 V HA 0.234 4.356 4.120 0.003 0.000 0.272 528 V C 0.920 177.035 176.094 0.035 0.000 1.026 528 V CA -0.468 61.758 62.300 -0.124 0.000 0.807 528 V CB 0.754 32.584 31.823 0.011 0.000 1.044 528 V HN 1.038 nan 8.190 nan 0.000 0.443 529 G N 2.622 111.445 108.800 0.038 0.000 2.442 529 G HA2 0.252 4.213 3.960 0.003 0.000 0.219 529 G HA3 0.252 4.213 3.960 0.003 0.000 0.219 529 G C 0.970 175.980 174.900 0.183 0.000 1.141 529 G CA 1.057 46.247 45.100 0.150 0.000 0.763 529 G HN 1.436 nan 8.290 nan 0.000 0.554 530 G N -0.702 108.215 108.800 0.195 0.000 2.642 530 G HA2 0.277 4.238 3.960 0.003 0.000 0.231 530 G HA3 0.277 4.238 3.960 0.003 0.000 0.231 530 G C 0.433 175.479 174.900 0.243 0.000 1.338 530 G CA 0.177 45.409 45.100 0.220 0.000 0.883 530 G HN 1.498 nan 8.290 nan 0.000 0.570 531 A N -0.529 122.413 122.820 0.204 0.000 2.429 531 A HA 0.800 5.122 4.320 0.003 0.000 0.242 531 A C 1.844 179.528 177.584 0.166 0.000 1.088 531 A CA 2.193 54.339 52.037 0.181 0.000 0.784 531 A CB -0.276 18.805 19.000 0.135 0.000 1.038 531 A HN 3.026 nan 8.150 nan 0.000 0.501 532 G N 0.262 109.147 108.800 0.141 0.000 2.746 532 G HA2 -0.074 3.888 3.960 0.003 0.000 0.685 532 G HA3 -0.074 3.888 3.960 0.003 0.000 0.685 532 G C -0.762 174.226 174.900 0.146 0.000 1.350 532 G CA -0.302 44.872 45.100 0.123 0.000 0.837 532 G HN 1.089 nan 8.290 nan 0.000 0.564 533 N N 2.024 120.796 118.700 0.119 0.000 2.500 533 N HA 0.378 5.120 4.740 0.003 0.000 0.236 533 N C -0.792 174.796 175.510 0.129 0.000 1.022 533 N CA -0.244 52.880 53.050 0.122 0.000 0.935 533 N CB 1.005 39.540 38.487 0.080 0.000 1.147 533 N HN 0.515 nan 8.380 nan 0.000 0.512 534 D N 1.229 121.732 120.400 0.171 0.000 2.163 534 D HA 0.215 4.857 4.640 0.003 0.000 0.248 534 D C -0.138 176.255 176.300 0.156 0.000 1.035 534 D CA -0.491 53.614 54.000 0.175 0.000 0.872 534 D CB 2.400 43.328 40.800 0.214 0.000 1.183 534 D HN 0.196 nan 8.370 nan 0.000 0.445 535 L N 2.095 123.405 121.223 0.146 0.000 2.287 535 L HA 0.449 4.791 4.340 0.003 0.000 0.287 535 L C -1.098 175.912 176.870 0.232 0.000 1.022 535 L CA -0.159 54.750 54.840 0.115 0.000 0.814 535 L CB 0.927 42.966 42.059 -0.034 0.000 1.217 535 L HN 0.310 nan 8.230 nan 0.000 0.420 536 M N 4.875 124.572 119.600 0.162 0.000 2.204 536 M HA 0.460 4.941 4.480 0.003 0.000 0.293 536 M C -0.984 175.339 176.300 0.039 0.000 0.994 536 M CA -0.346 55.047 55.300 0.154 0.000 0.925 536 M CB 2.036 34.702 32.600 0.110 0.000 1.577 536 M HN 0.534 nan 8.290 nan 0.000 0.439 537 E N 0.997 121.281 120.200 0.140 0.000 2.165 537 E HA 0.267 4.618 4.350 0.003 0.000 0.266 537 E C 0.244 176.950 176.600 0.176 0.000 0.889 537 E CA -0.357 56.118 56.400 0.126 0.000 0.756 537 E CB 2.265 32.074 29.700 0.181 0.000 1.131 537 E HN 0.693 nan 8.360 nan 0.000 0.411 538 S N 3.176 118.960 115.700 0.141 0.000 2.359 538 S HA -0.164 4.307 4.470 0.003 0.000 0.222 538 S C 1.648 176.391 174.600 0.239 0.000 1.038 538 S CA 2.118 60.463 58.200 0.242 0.000 1.051 538 S CB -0.467 62.846 63.200 0.188 0.000 0.944 538 S HN 1.009 nan 8.310 nan 0.000 0.433 539 G N -0.232 108.650 108.800 0.137 0.000 2.179 539 G HA2 0.134 4.096 3.960 0.003 0.000 0.260 539 G HA3 0.134 4.096 3.960 0.003 0.000 0.260 539 G C 1.357 176.286 174.900 0.049 0.000 0.977 539 G CA 0.517 45.667 45.100 0.084 0.000 0.641 539 G HN 1.878 nan 8.290 nan 0.000 0.533 540 G N -1.811 107.018 108.800 0.047 0.000 2.631 540 G HA2 0.531 4.493 3.960 0.003 0.000 0.504 540 G HA3 0.531 4.493 3.960 0.003 0.000 0.504 540 G C 1.023 175.923 174.900 -0.001 0.000 1.306 540 G CA 0.938 46.046 45.100 0.013 0.000 0.897 540 G HN 2.658 nan 8.290 nan 0.000 0.520 541 G N -1.319 107.466 108.800 -0.025 0.000 2.681 541 G HA2 0.448 4.410 3.960 0.003 0.000 0.220 541 G HA3 0.448 4.410 3.960 0.003 0.000 0.220 541 G C 0.344 175.206 174.900 -0.063 0.000 1.353 541 G CA 0.980 46.054 45.100 -0.043 0.000 0.872 541 G HN 2.682 nan 8.290 nan 0.000 0.557 542 A N 0.577 123.350 122.820 -0.079 0.000 2.394 542 A HA 0.645 4.967 4.320 0.003 0.000 0.333 542 A C -0.318 177.194 177.584 -0.120 0.000 1.397 542 A CA -0.171 51.806 52.037 -0.099 0.000 0.884 542 A CB 0.459 19.406 19.000 -0.089 0.000 1.147 542 A HN 0.575 nan 8.150 nan 0.000 0.505 543 D N 1.136 121.467 120.400 -0.116 0.000 2.268 543 D HA 0.596 5.237 4.640 0.003 0.000 0.249 543 D C -0.262 175.921 176.300 -0.195 0.000 1.008 543 D CA 0.250 54.148 54.000 -0.170 0.000 0.939 543 D CB 1.829 42.565 40.800 -0.107 0.000 1.170 543 D HN 0.352 nan 8.370 nan 0.000 0.468 544 T N 0.987 115.331 114.554 -0.350 0.000 2.824 544 T HA 0.486 4.838 4.350 0.003 0.000 0.282 544 T C -0.521 173.895 174.700 -0.472 0.000 0.993 544 T CA -0.510 61.420 62.100 -0.283 0.000 0.967 544 T CB 0.465 69.136 68.868 -0.328 0.000 0.960 544 T HN 0.079 nan 8.240 nan 0.000 0.441 545 F N 2.796 122.641 119.950 -0.175 0.000 2.426 545 F HA 0.588 5.116 4.527 0.002 0.000 0.348 545 F C -0.255 175.118 175.800 -0.712 0.000 1.124 545 F CA -1.103 56.671 58.000 -0.376 0.000 1.008 545 F CB 1.301 40.163 39.000 -0.229 0.000 1.139 545 F HN 0.264 nan 8.300 nan 0.000 0.452 546 L N 5.260 126.033 121.223 -0.749 0.000 2.313 546 L HA 0.659 5.000 4.340 0.003 0.000 0.283 546 L C -1.615 174.683 176.870 -0.953 0.000 1.013 546 L CA -0.625 53.816 54.840 -0.666 0.000 0.816 546 L CB 0.460 42.327 42.059 -0.320 0.000 1.236 546 L HN 0.346 nan 8.230 nan 0.000 0.419 547 F N 4.857 124.540 119.950 -0.445 0.000 2.493 547 F HA 0.550 5.079 4.527 0.002 0.000 0.329 547 F C 0.180 175.849 175.800 -0.220 0.000 1.126 547 F CA -0.573 57.106 58.000 -0.534 0.000 0.937 547 F CB 1.612 39.846 39.000 -1.277 0.000 1.146 547 F HN 0.577 nan 8.300 nan 0.000 0.442 548 N N 1.676 120.499 118.700 0.205 0.000 2.308 548 N HA 0.539 5.281 4.740 0.003 0.000 0.283 548 N C 0.009 175.745 175.510 0.377 0.000 1.105 548 N CA 0.296 53.514 53.050 0.280 0.000 0.840 548 N CB 2.331 40.959 38.487 0.235 0.000 1.633 548 N HN 0.860 nan 8.380 nan 0.000 0.476 549 G N 1.724 110.729 108.800 0.341 0.000 2.552 549 G HA2 -0.201 3.760 3.960 0.003 0.000 0.265 549 G HA3 -0.201 3.760 3.960 0.003 0.000 0.265 549 G C -0.081 174.999 174.900 0.299 0.000 1.234 549 G CA 0.055 45.324 45.100 0.282 0.000 0.944 549 G HN 1.069 nan 8.290 nan 0.000 0.568 550 A N 0.161 123.096 122.820 0.192 0.000 2.990 550 A HA 0.594 4.915 4.320 0.003 0.000 0.282 550 A C 0.899 178.555 177.584 0.121 0.000 1.688 550 A CA 0.793 52.882 52.037 0.087 0.000 1.391 550 A CB -1.078 17.958 19.000 0.060 0.000 1.112 550 A HN 1.733 nan 8.150 nan 0.000 0.588 551 F N 0.679 120.735 119.950 0.177 0.000 2.811 551 F HA 0.447 4.976 4.527 0.003 0.000 0.301 551 F C 0.963 176.880 175.800 0.194 0.000 1.151 551 F CA 0.018 58.146 58.000 0.214 0.000 1.412 551 F CB -0.592 38.598 39.000 0.318 0.000 1.113 551 F HN 0.748 nan 8.300 nan 0.000 0.579 552 G N 1.163 109.909 108.800 -0.089 0.000 2.632 552 G HA2 -0.128 3.833 3.960 0.003 0.000 0.224 552 G HA3 -0.128 3.833 3.960 0.003 0.000 0.224 552 G C -1.172 173.716 174.900 -0.021 0.000 1.341 552 G CA -0.339 44.751 45.100 -0.016 0.000 0.880 552 G HN 0.465 nan 8.290 nan 0.000 0.566 553 Q N 1.322 121.161 119.800 0.064 0.000 2.372 553 Q HA 0.537 4.879 4.340 0.003 0.000 0.259 553 Q C -1.080 175.009 176.000 0.148 0.000 0.993 553 Q CA -0.533 55.321 55.803 0.086 0.000 0.854 553 Q CB 1.785 30.545 28.738 0.037 0.000 1.231 553 Q HN 0.601 nan 8.270 nan 0.000 0.462 554 D N 1.854 122.380 120.400 0.210 0.000 2.269 554 D HA 0.456 5.097 4.640 0.003 0.000 0.244 554 D C -0.123 176.239 176.300 0.103 0.000 0.992 554 D CA -0.581 53.542 54.000 0.205 0.000 0.894 554 D CB 1.809 42.822 40.800 0.356 0.000 1.248 554 D HN 0.223 nan 8.370 nan 0.000 0.468 555 R N 0.434 120.975 120.500 0.068 0.000 2.494 555 R HA 0.600 4.942 4.340 0.003 0.000 0.305 555 R C -0.915 175.362 176.300 -0.038 0.000 0.959 555 R CA -0.928 55.172 56.100 0.000 0.000 0.864 555 R CB 2.055 32.352 30.300 -0.006 0.000 1.159 555 R HN 0.115 nan 8.270 nan 0.000 0.446 556 V N 3.824 123.659 119.914 -0.131 0.000 2.409 556 V HA 0.336 4.457 4.120 0.003 0.000 0.291 556 V C -0.269 175.719 176.094 -0.177 0.000 1.020 556 V CA -0.775 61.364 62.300 -0.268 0.000 0.848 556 V CB 1.977 33.446 31.823 -0.590 0.000 0.990 556 V HN 0.461 nan 8.190 nan 0.000 0.430 557 V N 3.781 123.628 119.914 -0.111 0.000 2.459 557 V HA 0.772 4.894 4.120 0.003 0.000 0.295 557 V C 0.965 177.059 176.094 0.001 0.000 1.029 557 V CA 0.566 62.848 62.300 -0.031 0.000 0.874 557 V CB 1.136 32.967 31.823 0.013 0.000 0.985 557 V HN 1.168 nan 8.190 nan 0.000 0.438 558 G N 4.329 113.145 108.800 0.026 0.000 2.141 558 G HA2 -0.273 3.688 3.960 0.003 0.000 0.242 558 G HA3 -0.273 3.688 3.960 0.003 0.000 0.242 558 G C 0.002 174.938 174.900 0.060 0.000 0.982 558 G CA 0.092 45.219 45.100 0.045 0.000 0.662 558 G HN 0.767 nan 8.290 nan 0.000 0.527 559 F N 3.037 122.925 119.950 -0.103 0.000 2.578 559 F HA 0.486 5.014 4.527 0.002 0.000 0.381 559 F C 1.134 176.902 175.800 -0.053 0.000 1.069 559 F CA 1.268 59.201 58.000 -0.111 0.000 1.231 559 F CB 0.749 39.607 39.000 -0.237 0.000 1.086 559 F HN 0.398 nan 8.300 nan 0.000 0.564 560 T N 0.846 115.111 114.554 -0.481 0.000 2.693 560 T HA 0.231 4.582 4.350 0.003 0.000 0.278 560 T C 0.857 175.288 174.700 -0.449 0.000 0.994 560 T CA -0.149 61.773 62.100 -0.296 0.000 1.033 560 T CB 1.151 69.927 68.868 -0.154 0.000 1.342 560 T HN 0.459 nan 8.240 nan 0.000 0.538 561 S N 1.120 116.698 115.700 -0.204 0.000 2.374 561 S HA -0.165 4.307 4.470 0.003 0.000 0.227 561 S C 1.624 176.119 174.600 -0.175 0.000 1.037 561 S CA 2.159 60.276 58.200 -0.139 0.000 1.024 561 S CB -0.969 62.187 63.200 -0.073 0.000 0.861 561 S HN 0.873 nan 8.310 nan 0.000 0.456 562 N N 0.648 119.229 118.700 -0.198 0.000 2.268 562 N HA 0.084 4.826 4.740 0.003 0.000 0.204 562 N C -0.806 174.580 175.510 -0.206 0.000 1.124 562 N CA -0.062 52.893 53.050 -0.158 0.000 0.838 562 N CB -0.256 38.166 38.487 -0.109 0.000 0.994 562 N HN 0.241 nan 8.380 nan 0.000 0.489 563 D N 0.509 120.676 120.400 -0.388 0.000 2.332 563 D HA 0.268 4.910 4.640 0.003 0.000 0.252 563 D C -0.566 175.622 176.300 -0.186 0.000 1.050 563 D CA -0.140 53.624 54.000 -0.395 0.000 0.970 563 D CB 1.870 42.227 40.800 -0.738 0.000 1.141 563 D HN 0.107 nan 8.370 nan 0.000 0.485 564 K N 0.762 121.222 120.400 0.100 0.000 2.427 564 K HA 0.486 4.808 4.320 0.003 0.000 0.252 564 K C -1.324 175.474 176.600 0.330 0.000 0.931 564 K CA -0.618 55.787 56.287 0.197 0.000 0.793 564 K CB 1.320 33.852 32.500 0.054 0.000 1.211 564 K HN 0.300 nan 8.250 nan 0.000 0.426 565 L N 3.587 124.955 121.223 0.242 0.000 2.317 565 L HA 0.583 4.924 4.340 0.003 0.000 0.281 565 L C -0.782 176.012 176.870 -0.126 0.000 1.024 565 L CA -1.295 53.589 54.840 0.073 0.000 0.810 565 L CB 1.883 43.949 42.059 0.011 0.000 1.240 565 L HN 0.305 nan 8.230 nan 0.000 0.427 566 V N 3.103 122.834 119.914 -0.305 0.000 2.443 566 V HA 0.405 4.527 4.120 0.003 0.000 0.293 566 V C -0.790 175.029 176.094 -0.457 0.000 1.021 566 V CA -0.379 61.727 62.300 -0.324 0.000 0.848 566 V CB 1.522 33.210 31.823 -0.225 0.000 0.998 566 V HN 0.388 nan 8.190 nan 0.000 0.424 567 F N 5.926 125.781 119.950 -0.158 0.000 2.411 567 F HA 0.752 5.281 4.527 0.002 0.000 0.352 567 F C -0.287 175.424 175.800 -0.148 0.000 1.123 567 F CA -0.720 57.126 58.000 -0.258 0.000 1.044 567 F CB 1.726 40.337 39.000 -0.649 0.000 1.135 567 F HN 0.307 nan 8.300 nan 0.000 0.461 568 L N 2.980 124.265 121.223 0.103 0.000 2.482 568 L HA 0.699 5.040 4.340 0.003 0.000 0.269 568 L C 0.121 177.158 176.870 0.278 0.000 0.967 568 L CA -0.364 54.578 54.840 0.171 0.000 0.851 568 L CB 1.704 43.840 42.059 0.128 0.000 1.242 568 L HN 0.733 nan 8.230 nan 0.000 0.404 569 G N 3.636 112.686 108.800 0.415 0.000 2.272 569 G HA2 -0.056 3.906 3.960 0.003 0.000 0.280 569 G HA3 -0.056 3.906 3.960 0.003 0.000 0.280 569 G C -0.206 174.838 174.900 0.241 0.000 1.067 569 G CA 0.434 45.732 45.100 0.330 0.000 0.902 569 G HN 1.390 nan 8.290 nan 0.000 0.500 570 V N -3.830 116.207 119.914 0.205 0.000 3.019 570 V HA 0.860 4.982 4.120 0.003 0.000 0.317 570 V C 0.405 176.617 176.094 0.197 0.000 1.094 570 V CA -1.527 60.910 62.300 0.228 0.000 1.000 570 V CB 1.922 33.869 31.823 0.207 0.000 1.060 570 V HN 0.287 nan 8.190 nan 0.000 0.443 571 Q N 1.130 121.061 119.800 0.219 0.000 2.392 571 Q HA 0.390 4.731 4.340 0.003 0.000 0.262 571 Q C 1.190 177.344 176.000 0.257 0.000 1.003 571 Q CA 0.993 56.907 55.803 0.185 0.000 0.888 571 Q CB 0.767 29.585 28.738 0.133 0.000 1.260 571 Q HN 1.852 nan 8.270 nan 0.000 0.435 572 G N 0.804 109.717 108.800 0.188 0.000 2.143 572 G HA2 -0.233 3.728 3.960 0.003 0.000 0.248 572 G HA3 -0.233 3.728 3.960 0.003 0.000 0.248 572 G C -0.108 174.982 174.900 0.317 0.000 0.991 572 G CA 0.105 45.331 45.100 0.210 0.000 0.689 572 G HN 0.394 nan 8.290 nan 0.000 0.522 573 V N 2.031 122.104 119.914 0.265 0.000 2.339 573 V HA 0.442 4.563 4.120 0.003 0.000 0.261 573 V C 1.103 177.314 176.094 0.196 0.000 1.058 573 V CA -0.418 62.044 62.300 0.270 0.000 0.897 573 V CB 0.993 32.948 31.823 0.220 0.000 1.052 573 V HN 0.351 nan 8.190 nan 0.000 0.480 574 L N 7.074 128.403 121.223 0.177 0.000 2.436 574 L HA 0.357 4.699 4.340 0.003 0.000 0.265 574 L C -2.012 174.931 176.870 0.122 0.000 1.168 574 L CA -1.825 53.082 54.840 0.111 0.000 0.815 574 L CB 0.757 42.853 42.059 0.063 0.000 1.109 574 L HN 0.366 nan 8.230 nan 0.000 0.462 575 P HA -0.058 nan 4.420 nan 0.000 0.258 575 P C -0.040 177.320 177.300 0.100 0.000 1.172 575 P CA 0.647 63.815 63.100 0.114 0.000 0.762 575 P CB 0.215 31.977 31.700 0.103 0.000 0.764 576 N N 0.749 119.513 118.700 0.106 0.000 2.850 576 N HA -0.172 4.570 4.740 0.003 0.000 0.249 576 N C -0.569 174.997 175.510 0.094 0.000 1.060 576 N CA 0.827 53.933 53.050 0.093 0.000 0.825 576 N CB -1.561 36.972 38.487 0.076 0.000 1.132 576 N HN 0.406 nan 8.380 nan 0.000 0.564 577 D N 0.921 121.393 120.400 0.121 0.000 2.506 577 D HA 0.082 4.723 4.640 0.003 0.000 0.234 577 D C 0.653 177.041 176.300 0.145 0.000 1.143 577 D CA 0.681 54.766 54.000 0.141 0.000 0.871 577 D CB 0.435 41.395 40.800 0.266 0.000 1.190 577 D HN 0.488 nan 8.370 nan 0.000 0.459 578 D N -0.446 120.021 120.400 0.112 0.000 2.592 578 D HA 0.170 4.811 4.640 0.003 0.000 0.259 578 D C 1.008 177.403 176.300 0.158 0.000 1.144 578 D CA -0.762 53.325 54.000 0.144 0.000 1.080 578 D CB -0.154 40.716 40.800 0.116 0.000 1.225 578 D HN 0.311 nan 8.370 nan 0.000 0.619 579 F N -0.467 119.540 119.950 0.096 0.000 2.269 579 F HA 0.104 4.632 4.527 0.002 0.000 0.301 579 F C 1.927 177.743 175.800 0.028 0.000 1.082 579 F CA 0.640 58.685 58.000 0.075 0.000 1.360 579 F CB -0.318 38.721 39.000 0.066 0.000 1.041 579 F HN 0.064 nan 8.300 nan 0.000 0.512 580 R N 0.956 120.936 120.500 -0.867 0.000 2.120 580 R HA -0.028 4.313 4.340 0.003 0.000 0.234 580 R C 2.467 178.565 176.300 -0.337 0.000 1.123 580 R CA 1.060 56.746 56.100 -0.690 0.000 0.975 580 R CB -0.731 29.167 30.300 -0.669 0.000 0.866 580 R HN 0.467 nan 8.270 nan 0.000 0.446 581 A N 0.034 122.702 122.820 -0.253 0.000 2.178 581 A HA -0.150 4.172 4.320 0.003 0.000 0.218 581 A C 0.911 178.188 177.584 -0.511 0.000 1.157 581 A CA 1.345 53.192 52.037 -0.315 0.000 0.689 581 A CB -0.304 18.526 19.000 -0.283 0.000 0.787 581 A HN 0.382 nan 8.150 nan 0.000 0.465 582 H N -2.071 116.824 119.070 -0.292 0.000 3.170 582 H HA 0.544 5.102 4.556 0.002 0.000 0.264 582 H C 0.578 175.713 175.328 -0.322 0.000 1.113 582 H CA 0.326 56.115 56.048 -0.432 0.000 1.194 582 H CB 0.563 29.829 29.762 -0.825 0.000 1.553 582 H HN 0.444 nan 8.280 nan 0.000 0.538 583 A N 0.994 123.747 122.820 -0.112 0.000 2.312 583 A HA 0.690 5.011 4.320 0.003 0.000 0.326 583 A C 0.011 177.547 177.584 -0.079 0.000 1.172 583 A CA -0.115 51.894 52.037 -0.047 0.000 0.821 583 A CB 0.673 19.736 19.000 0.106 0.000 1.166 583 A HN 0.309 nan 8.150 nan 0.000 0.493 584 S N 1.701 117.365 115.700 -0.061 0.000 2.705 584 S HA 0.794 5.266 4.470 0.003 0.000 0.280 584 S C -0.795 173.782 174.600 -0.038 0.000 1.174 584 S CA -0.864 57.302 58.200 -0.057 0.000 0.823 584 S CB 1.148 64.304 63.200 -0.072 0.000 1.162 584 S HN 0.534 nan 8.310 nan 0.000 0.487 585 M N 2.117 121.696 119.600 -0.035 0.000 2.205 585 M HA 0.468 4.950 4.480 0.003 0.000 0.344 585 M C -1.289 174.992 176.300 -0.032 0.000 1.085 585 M CA -0.555 54.728 55.300 -0.028 0.000 1.001 585 M CB 1.267 33.855 32.600 -0.020 0.000 1.626 585 M HN 0.577 nan 8.290 nan 0.000 0.442 586 V N 3.113 123.009 119.914 -0.031 0.000 2.326 586 V HA 0.632 4.754 4.120 0.003 0.000 0.281 586 V C 0.879 176.958 176.094 -0.024 0.000 1.015 586 V CA 0.113 62.395 62.300 -0.029 0.000 0.823 586 V CB 0.546 32.350 31.823 -0.031 0.000 1.009 586 V HN 1.165 nan 8.190 nan 0.000 0.436 587 G N 4.861 113.648 108.800 -0.021 0.000 2.591 587 G HA2 -0.274 3.687 3.960 0.003 0.000 0.298 587 G HA3 -0.274 3.687 3.960 0.003 0.000 0.298 587 G C 0.540 175.430 174.900 -0.016 0.000 1.195 587 G CA 0.504 45.594 45.100 -0.017 0.000 0.989 587 G HN 0.553 nan 8.290 nan 0.000 0.551 588 Q N 1.956 121.747 119.800 -0.014 0.000 2.320 588 Q HA 0.194 4.536 4.340 0.003 0.000 0.201 588 Q C -0.211 175.779 176.000 -0.016 0.000 0.910 588 Q CA 0.712 56.508 55.803 -0.012 0.000 0.946 588 Q CB 0.429 29.162 28.738 -0.009 0.000 1.062 588 Q HN 0.626 nan 8.270 nan 0.000 0.503 589 D N 0.603 120.989 120.400 -0.023 0.000 2.362 589 D HA 0.223 4.865 4.640 0.003 0.000 0.247 589 D C -0.383 175.894 176.300 -0.038 0.000 1.050 589 D CA -0.279 53.700 54.000 -0.034 0.000 0.839 589 D CB 1.734 42.511 40.800 -0.039 0.000 1.283 589 D HN -0.244 nan 8.370 nan 0.000 0.477 590 T N 0.857 115.381 114.554 -0.051 0.000 2.832 590 T HA 0.350 4.702 4.350 0.003 0.000 0.296 590 T C 0.243 174.903 174.700 -0.066 0.000 0.968 590 T CA -0.395 61.674 62.100 -0.050 0.000 1.107 590 T CB 0.863 69.698 68.868 -0.054 0.000 0.916 590 T HN 0.020 nan 8.240 nan 0.000 0.517 591 V N 5.188 125.071 119.914 -0.053 0.000 2.495 591 V HA 0.477 4.598 4.120 0.003 0.000 0.298 591 V C -0.285 175.772 176.094 -0.061 0.000 1.031 591 V CA -0.868 61.399 62.300 -0.054 0.000 0.871 591 V CB 1.422 33.216 31.823 -0.048 0.000 0.988 591 V HN 0.697 nan 8.190 nan 0.000 0.432 592 L N 4.911 126.100 121.223 -0.056 0.000 2.313 592 L HA 0.624 4.966 4.340 0.003 0.000 0.283 592 L C -0.110 176.684 176.870 -0.127 0.000 1.013 592 L CA -0.291 54.482 54.840 -0.111 0.000 0.816 592 L CB 1.590 43.615 42.059 -0.057 0.000 1.236 592 L HN 0.507 nan 8.230 nan 0.000 0.419 593 K N 2.855 123.058 120.400 -0.328 0.000 2.345 593 K HA 0.634 4.955 4.320 0.003 0.000 0.255 593 K C -1.659 174.641 176.600 -0.500 0.000 0.934 593 K CA -0.547 55.599 56.287 -0.234 0.000 0.801 593 K CB 1.575 33.975 32.500 -0.167 0.000 1.137 593 K HN 0.312 nan 8.250 nan 0.000 0.424 594 F N 2.243 122.202 119.950 0.014 0.000 2.810 594 F HA 0.257 4.785 4.527 0.002 0.000 0.373 594 F C 0.801 176.594 175.800 -0.011 0.000 1.174 594 F CA -0.189 57.827 58.000 0.026 0.000 1.141 594 F CB 1.518 40.545 39.000 0.045 0.000 1.420 594 F HN 0.902 nan 8.300 nan 0.000 0.518 595 G N 2.002 110.863 108.800 0.100 0.000 2.583 595 G HA2 -0.304 3.657 3.960 0.003 0.000 0.292 595 G HA3 -0.304 3.657 3.960 0.003 0.000 0.292 595 G C 1.328 176.220 174.900 -0.013 0.000 1.203 595 G CA 0.198 45.321 45.100 0.038 0.000 0.987 595 G HN 1.094 nan 8.290 nan 0.000 0.554 596 G N 0.309 109.088 108.800 -0.036 0.000 2.744 596 G HA2 0.329 4.291 3.960 0.003 0.000 0.211 596 G HA3 0.329 4.291 3.960 0.003 0.000 0.211 596 G C 0.333 175.160 174.900 -0.122 0.000 1.143 596 G CA 1.231 46.294 45.100 -0.063 0.000 0.788 596 G HN 0.711 nan 8.290 nan 0.000 0.534 597 D N 0.214 120.489 120.400 -0.207 0.000 2.217 597 D HA 0.499 5.141 4.640 0.003 0.000 0.248 597 D C -0.101 176.061 176.300 -0.230 0.000 1.008 597 D CA 0.067 53.787 54.000 -0.466 0.000 0.914 597 D CB 1.891 41.947 40.800 -1.239 0.000 1.182 597 D HN 0.227 nan 8.370 nan 0.000 0.451 598 S N -0.729 114.921 115.700 -0.083 0.000 2.550 598 S HA 0.585 5.056 4.470 0.003 0.000 0.270 598 S C -1.184 173.598 174.600 0.303 0.000 1.145 598 S CA -0.818 57.481 58.200 0.165 0.000 0.852 598 S CB 1.592 64.815 63.200 0.039 0.000 1.119 598 S HN 0.159 nan 8.310 nan 0.000 0.465 599 V N 1.985 122.008 119.914 0.181 0.000 2.444 599 V HA 0.555 4.677 4.120 0.003 0.000 0.294 599 V C -0.323 175.750 176.094 -0.034 0.000 1.022 599 V CA -0.424 61.886 62.300 0.016 0.000 0.850 599 V CB 1.777 33.462 31.823 -0.231 0.000 0.992 599 V HN 1.036 nan 8.190 nan 0.000 0.426 600 T N 6.724 121.252 114.554 -0.044 0.000 2.744 600 T HA 0.535 4.886 4.350 0.003 0.000 0.291 600 T C -0.111 174.512 174.700 -0.127 0.000 0.957 600 T CA -0.204 61.854 62.100 -0.070 0.000 1.002 600 T CB 0.490 69.334 68.868 -0.039 0.000 0.919 600 T HN 0.377 nan 8.240 nan 0.000 0.468 601 L N 4.163 125.286 121.223 -0.166 0.000 2.288 601 L HA 0.345 4.687 4.340 0.003 0.000 0.283 601 L C 0.112 176.912 176.870 -0.117 0.000 1.072 601 L CA -0.936 53.776 54.840 -0.215 0.000 0.862 601 L CB 0.543 42.394 42.059 -0.346 0.000 1.245 601 L HN 0.366 nan 8.230 nan 0.000 0.432 602 V N 3.406 123.268 119.914 -0.087 0.000 2.493 602 V HA 0.118 4.240 4.120 0.003 0.000 0.292 602 V C 1.416 177.494 176.094 -0.026 0.000 1.016 602 V CA 1.144 63.416 62.300 -0.047 0.000 1.097 602 V CB 0.337 32.138 31.823 -0.036 0.000 0.947 602 V HN 1.108 nan 8.190 nan 0.000 0.479 603 G N 3.815 112.603 108.800 -0.020 0.000 2.184 603 G HA2 -0.217 3.745 3.960 0.003 0.000 0.264 603 G HA3 -0.217 3.745 3.960 0.003 0.000 0.264 603 G C 0.122 175.023 174.900 0.002 0.000 0.975 603 G CA 0.075 45.172 45.100 -0.005 0.000 0.642 603 G HN 0.784 nan 8.290 nan 0.000 0.536 604 V N 1.409 121.319 119.914 -0.007 0.000 2.461 604 V HA 0.672 4.793 4.120 0.003 0.000 0.275 604 V C 0.914 177.008 176.094 0.000 0.000 1.047 604 V CA -0.182 62.123 62.300 0.008 0.000 0.955 604 V CB 1.279 33.097 31.823 -0.007 0.000 0.988 604 V HN 1.020 nan 8.190 nan 0.000 0.471 605 A N 4.451 127.282 122.820 0.018 0.000 2.366 605 A HA 0.465 4.787 4.320 0.003 0.000 0.272 605 A C 0.916 178.521 177.584 0.035 0.000 1.135 605 A CA -0.422 51.627 52.037 0.020 0.000 0.804 605 A CB 0.457 19.471 19.000 0.023 0.000 1.064 605 A HN 0.863 nan 8.150 nan 0.000 0.499 606 L N 2.975 124.222 121.223 0.039 0.000 2.043 606 L HA -0.240 4.102 4.340 0.003 0.000 0.212 606 L C 2.185 179.124 176.870 0.115 0.000 1.075 606 L CA 2.694 57.583 54.840 0.081 0.000 0.752 606 L CB -0.856 41.242 42.059 0.065 0.000 0.891 606 L HN 0.906 nan 8.230 nan 0.000 0.432 607 N N -1.223 117.523 118.700 0.077 0.000 2.453 607 N HA -0.170 4.571 4.740 0.003 0.000 0.183 607 N C 1.541 177.100 175.510 0.083 0.000 1.041 607 N CA 1.184 54.281 53.050 0.079 0.000 0.900 607 N CB -0.427 38.089 38.487 0.048 0.000 0.961 607 N HN 0.589 nan 8.380 nan 0.000 0.443 608 S N 0.268 116.012 115.700 0.074 0.000 2.527 608 S HA 0.133 4.604 4.470 0.003 0.000 0.222 608 S C 0.979 175.623 174.600 0.073 0.000 0.985 608 S CA -0.474 57.766 58.200 0.067 0.000 0.921 608 S CB -0.263 62.973 63.200 0.061 0.000 0.772 608 S HN 0.185 nan 8.310 nan 0.000 0.529 609 L N 2.031 123.301 121.223 0.077 0.000 2.395 609 L HA 0.529 4.871 4.340 0.003 0.000 0.269 609 L C 0.321 177.198 176.870 0.013 0.000 1.133 609 L CA -0.460 54.370 54.840 -0.016 0.000 0.812 609 L CB 1.448 43.398 42.059 -0.182 0.000 1.125 609 L HN 0.222 nan 8.230 nan 0.000 0.452 610 S N 0.794 116.429 115.700 -0.107 0.000 2.521 610 S HA 0.556 5.028 4.470 0.003 0.000 0.295 610 S C 0.568 175.121 174.600 -0.079 0.000 1.098 610 S CA -0.127 58.078 58.200 0.009 0.000 0.999 610 S CB 1.920 65.137 63.200 0.029 0.000 1.034 610 S HN 0.680 nan 8.310 nan 0.000 0.483 611 A N 3.039 125.950 122.820 0.152 0.000 2.067 611 A HA 0.002 4.324 4.320 0.003 0.000 0.219 611 A C 1.503 179.135 177.584 0.080 0.000 1.158 611 A CA 1.873 54.020 52.037 0.182 0.000 0.661 611 A CB -0.904 18.292 19.000 0.325 0.000 0.801 611 A HN 0.923 nan 8.150 nan 0.000 0.452 612 D N -0.731 119.704 120.400 0.059 0.000 2.264 612 D HA -0.008 4.634 4.640 0.003 0.000 0.208 612 D C 1.721 178.037 176.300 0.026 0.000 0.966 612 D CA 1.278 55.305 54.000 0.045 0.000 0.864 612 D CB -0.125 40.700 40.800 0.041 0.000 0.933 612 D HN 0.370 nan 8.370 nan 0.000 0.499 613 G N -0.799 108.004 108.800 0.005 0.000 3.088 613 G HA2 0.207 4.168 3.960 0.003 0.000 0.217 613 G HA3 0.207 4.168 3.960 0.003 0.000 0.217 613 G C 0.398 175.321 174.900 0.038 0.000 1.159 613 G CA -0.171 44.949 45.100 0.033 0.000 0.760 613 G HN 0.228 nan 8.290 nan 0.000 0.550 614 I N 1.507 122.061 120.570 -0.027 0.000 2.517 614 I HA 0.233 4.405 4.170 0.003 0.000 0.280 614 I C -0.961 175.190 176.117 0.056 0.000 1.061 614 I CA -0.677 60.623 61.300 -0.001 0.000 1.091 614 I CB 2.395 40.298 38.000 -0.162 0.000 1.205 614 I HN -0.327 nan 8.210 nan 0.000 0.459 615 V N 6.732 126.643 119.914 -0.004 0.000 2.383 615 V HA 0.383 4.505 4.120 0.003 0.000 0.275 615 V C 0.228 176.341 176.094 0.031 0.000 1.036 615 V CA -0.322 61.910 62.300 -0.114 0.000 0.889 615 V CB 1.599 33.092 31.823 -0.549 0.000 0.985 615 V HN 0.402 nan 8.190 nan 0.000 0.459 616 I N 5.025 125.639 120.570 0.073 0.000 2.390 616 I HA 0.669 4.841 4.170 0.003 0.000 0.283 616 I C 0.381 176.540 176.117 0.070 0.000 1.016 616 I CA -0.096 61.270 61.300 0.110 0.000 1.151 616 I CB 1.077 39.173 38.000 0.159 0.000 1.293 616 I HN 0.656 nan 8.210 nan 0.000 0.458 617 A N 0.000 122.857 122.820 0.062 0.000 2.254 617 A HA 0.000 4.322 4.320 0.003 0.000 0.244 617 A CA 0.000 52.090 52.037 0.089 0.000 0.836 617 A CB 0.000 19.007 19.000 0.012 0.000 0.831 617 A HN 0.000 nan 8.150 nan 0.000 0.486