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 1uop_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLSFQYPDVY RDETAIQDYH GHKVCDPYAW LEDPDSEQTK AFVEAQNKIT DATA SEQUENCE VPFLEQCPIR GLYKERMTEL YDYPKYSCHF KKGKRYFYFY NTGLQNQRVL DATA SEQUENCE YVQDSLEGEA RVFLDPNILS DDGTVALRGY AFSEDGEYFA YGLSASGSDW DATA SEQUENCE VTIKFMKVDG AKELPDVLER VKFSCMAWTH DGKGMFYNAY PQQDGKSDGT DATA SEQUENCE ETSTNLHQKL YYHVLGTDQS EDILCAEFPD EPKWMGGAEL SDDGRYVLLS DATA SEQUENCE IREGCDPVNR LWYCDLQQES NGITGILKWV KLIDNFEGEY DYVTNEGTVF DATA SEQUENCE TFKTNRHSPN YRLINIDFTD PEESKWKVLV PEHEKDVLEW VACVRSNFLV DATA SEQUENCE LCYLHDVKNT LQLHDLATGA LLKIFPLEVG SVVGYSGQKK DTEIFYQFTS DATA SEQUENCE FLSPGIIYHC DLTKEELEPR VFREVTVKGI DASDYQTVQI FYPSKDGTKI DATA SEQUENCE PMFIVHKKGI KLDGSHPAFL YGYGGFNISI TPNYSVSRLI FVRHMGGVLA DATA SEQUENCE VANIRGGGEY GETWHKGGIL ANKQNCFDDF QCAAEYLIKE GYTSPKRLTI DATA SEQUENCE NGGANGGLLV ATCANQRPDL FGCVIAQVGV MDMLKFHKYT IGHAWTTDYG DATA SEQUENCE CSDSKQHFEW LIKYSPLHNV KLPEADDIQY PSMLLLTADH DDRVVPLHSL DATA SEQUENCE KFIATLQYIV GRSRKQNNPL LIHVDTKAGH GAGKPTAKVI EEVSDMFAFI DATA SEQUENCE ARCLNIDWIP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.333 176.300 0.055 0.000 1.140 1 M CA 0.000 55.322 55.300 0.037 0.000 0.988 1 M CB 0.000 32.637 32.600 0.061 0.000 1.302 2 L N 2.085 123.261 121.223 -0.078 0.000 2.288 2 L HA 0.352 4.693 4.340 0.001 0.000 0.283 2 L C 0.474 177.101 176.870 -0.404 0.000 1.072 2 L CA 0.545 55.185 54.840 -0.333 0.000 0.862 2 L CB 0.990 42.726 42.059 -0.538 0.000 1.245 2 L HN 0.080 nan 8.230 nan 0.000 0.432 3 S N 3.854 119.424 115.700 -0.216 0.000 2.537 3 S HA 0.355 4.825 4.470 0.001 0.000 0.246 3 S C -0.307 174.294 174.600 0.002 0.000 1.036 3 S CA -0.383 57.768 58.200 -0.082 0.000 1.041 3 S CB -0.517 62.706 63.200 0.038 0.000 0.799 3 S HN 0.429 nan 8.310 nan 0.000 0.456 4 F N -0.417 119.501 119.950 -0.053 0.000 2.650 4 F HA 0.775 5.302 4.527 0.001 0.000 0.320 4 F C -0.684 175.008 175.800 -0.179 0.000 1.091 4 F CA -1.500 56.450 58.000 -0.084 0.000 0.962 4 F CB 0.909 39.872 39.000 -0.062 0.000 1.363 4 F HN -0.259 nan 8.300 nan 0.000 0.482 5 Q N 0.606 120.482 119.800 0.127 0.000 2.309 5 Q HA 0.416 4.757 4.340 0.001 0.000 0.264 5 Q C -1.661 174.403 176.000 0.108 0.000 1.008 5 Q CA -1.001 54.803 55.803 0.002 0.000 0.853 5 Q CB 1.978 30.733 28.738 0.029 0.000 1.314 5 Q HN 0.576 nan 8.270 nan 0.000 0.448 6 Y N 1.713 122.129 120.300 0.194 0.000 2.497 6 Y HA 0.141 4.692 4.550 0.001 0.000 0.334 6 Y C -1.746 174.201 175.900 0.079 0.000 1.199 6 Y CA -1.908 56.270 58.100 0.130 0.000 1.425 6 Y CB -0.289 38.229 38.460 0.096 0.000 1.291 6 Y HN 0.464 nan 8.280 nan 0.000 0.562 7 P HA 0.009 nan 4.420 nan 0.000 0.269 7 P C -0.856 176.548 177.300 0.174 0.000 1.215 7 P CA -0.228 62.945 63.100 0.122 0.000 0.780 7 P CB 0.570 32.273 31.700 0.005 0.000 0.898 8 D N 0.815 121.316 120.400 0.170 0.000 2.450 8 D HA 0.135 4.775 4.640 0.001 0.000 0.247 8 D C -0.376 176.094 176.300 0.283 0.000 1.162 8 D CA 0.534 54.658 54.000 0.207 0.000 0.879 8 D CB 0.293 41.194 40.800 0.168 0.000 1.163 8 D HN -0.052 nan 8.370 nan 0.000 0.472 9 V N 3.727 123.848 119.914 0.345 0.000 2.488 9 V HA 0.057 4.178 4.120 0.001 0.000 0.293 9 V C -0.443 175.974 176.094 0.537 0.000 1.027 9 V CA -1.098 61.510 62.300 0.513 0.000 0.862 9 V CB 1.146 33.251 31.823 0.469 0.000 1.008 9 V HN 0.405 nan 8.190 nan 0.000 0.428 10 Y N 5.399 125.946 120.300 0.411 0.000 2.610 10 Y HA 0.287 4.838 4.550 0.001 0.000 0.332 10 Y C 0.746 176.886 175.900 0.401 0.000 1.201 10 Y CA 0.157 58.393 58.100 0.226 0.000 1.465 10 Y CB 0.482 38.869 38.460 -0.120 0.000 1.283 10 Y HN 0.554 nan 8.280 nan 0.000 0.563 11 R N 4.664 124.814 120.500 -0.583 0.000 2.265 11 R HA 0.118 4.459 4.340 0.001 0.000 0.328 11 R C -1.141 174.610 176.300 -0.915 0.000 0.969 11 R CA -0.808 54.903 56.100 -0.650 0.000 0.832 11 R CB 0.633 30.556 30.300 -0.629 0.000 1.139 11 R HN 0.615 nan 8.270 nan 0.000 0.457 12 D N 3.162 123.303 120.400 -0.431 0.000 2.453 12 D HA 0.004 4.645 4.640 0.001 0.000 0.223 12 D C 0.523 176.717 176.300 -0.177 0.000 1.183 12 D CA -0.024 53.864 54.000 -0.185 0.000 0.933 12 D CB 0.762 41.656 40.800 0.156 0.000 1.038 12 D HN 0.397 nan 8.370 nan 0.000 0.513 13 E N 1.413 121.491 120.200 -0.203 0.000 2.472 13 E HA -0.103 4.248 4.350 0.001 0.000 0.200 13 E C 1.592 178.156 176.600 -0.060 0.000 1.046 13 E CA 0.656 56.975 56.400 -0.136 0.000 0.871 13 E CB -0.100 29.526 29.700 -0.124 0.000 0.806 13 E HN 0.613 nan 8.360 nan 0.000 0.533 14 T N -1.909 112.627 114.554 -0.030 0.000 3.081 14 T HA 0.220 4.570 4.350 0.001 0.000 0.255 14 T C 1.168 175.869 174.700 0.003 0.000 1.113 14 T CA 0.287 62.385 62.100 -0.004 0.000 1.082 14 T CB 0.096 68.973 68.868 0.015 0.000 0.939 14 T HN 0.054 nan 8.240 nan 0.000 0.506 15 A N 1.876 124.697 122.820 0.001 0.000 2.906 15 A HA 0.598 4.918 4.320 0.001 0.000 0.289 15 A C -0.053 177.541 177.584 0.018 0.000 1.675 15 A CA -0.487 51.559 52.037 0.015 0.000 1.372 15 A CB -1.065 17.950 19.000 0.025 0.000 1.091 15 A HN 0.676 nan 8.150 nan 0.000 0.579 16 I N 1.185 121.765 120.570 0.017 0.000 2.436 16 I HA 0.360 4.530 4.170 0.001 0.000 0.289 16 I C -0.078 176.046 176.117 0.012 0.000 1.010 16 I CA -0.334 60.984 61.300 0.030 0.000 1.098 16 I CB 2.030 40.043 38.000 0.021 0.000 1.266 16 I HN 0.667 nan 8.210 nan 0.000 0.434 17 Q N 4.321 124.142 119.800 0.035 0.000 2.365 17 Q HA 0.350 4.690 4.340 0.001 0.000 0.269 17 Q C -1.503 174.460 176.000 -0.063 0.000 1.061 17 Q CA -0.785 54.981 55.803 -0.062 0.000 0.816 17 Q CB 2.566 31.237 28.738 -0.111 0.000 1.325 17 Q HN 0.647 nan 8.270 nan 0.000 0.446 18 D N 2.052 122.337 120.400 -0.192 0.000 2.317 18 D HA 0.206 4.846 4.640 0.001 0.000 0.234 18 D C -1.632 174.423 176.300 -0.407 0.000 1.112 18 D CA -0.136 53.757 54.000 -0.179 0.000 0.840 18 D CB 0.490 41.196 40.800 -0.156 0.000 1.078 18 D HN 0.376 nan 8.370 nan 0.000 0.486 19 Y N 4.077 124.141 120.300 -0.394 0.000 2.478 19 Y HA 0.233 4.783 4.550 0.001 0.000 0.329 19 Y C 0.159 175.632 175.900 -0.711 0.000 0.967 19 Y CA -0.665 56.974 58.100 -0.769 0.000 1.255 19 Y CB 0.432 38.191 38.460 -1.167 0.000 1.103 19 Y HN 0.555 nan 8.280 nan 0.000 0.497 20 H N 1.876 120.776 119.070 -0.284 0.000 2.741 20 H HA -0.241 4.315 4.556 0.001 0.000 0.305 20 H C 1.442 176.708 175.328 -0.103 0.000 1.169 20 H CA 1.052 56.986 56.048 -0.190 0.000 1.144 20 H CB -1.433 28.211 29.762 -0.196 0.000 1.397 20 H HN 1.092 nan 8.280 nan 0.000 0.409 21 G N -0.579 108.202 108.800 -0.032 0.000 2.234 21 G HA2 -0.309 3.652 3.960 0.001 0.000 0.235 21 G HA3 -0.309 3.652 3.960 0.001 0.000 0.235 21 G C 0.024 174.964 174.900 0.067 0.000 0.997 21 G CA 0.465 45.574 45.100 0.016 0.000 0.623 21 G HN 0.864 nan 8.290 nan 0.000 0.514 22 H N 1.901 120.957 119.070 -0.022 0.000 2.652 22 H HA 0.570 5.126 4.556 0.001 0.000 0.298 22 H C 0.075 175.441 175.328 0.063 0.000 1.076 22 H CA -0.789 55.295 56.048 0.061 0.000 1.360 22 H CB 0.434 30.313 29.762 0.195 0.000 1.421 22 H HN -0.049 nan 8.280 nan 0.000 0.464 23 K N 4.914 125.479 120.400 0.274 0.000 2.297 23 K HA 0.198 4.519 4.320 0.001 0.000 0.286 23 K C -0.859 175.947 176.600 0.344 0.000 1.053 23 K CA -0.538 55.883 56.287 0.225 0.000 0.940 23 K CB 1.812 34.372 32.500 0.100 0.000 1.019 23 K HN 0.286 nan 8.250 nan 0.000 0.475 24 V N 2.965 123.055 119.914 0.293 0.000 2.444 24 V HA 0.134 4.254 4.120 0.001 0.000 0.294 24 V C -0.088 176.123 176.094 0.194 0.000 1.022 24 V CA -1.062 61.395 62.300 0.262 0.000 0.850 24 V CB 1.863 33.823 31.823 0.227 0.000 0.992 24 V HN 0.864 nan 8.190 nan 0.000 0.426 25 C N 3.861 123.252 119.300 0.152 0.000 2.388 25 C HA 0.572 5.033 4.460 0.001 0.000 0.362 25 C C 0.200 175.238 174.990 0.081 0.000 1.266 25 C CA -0.039 59.028 59.018 0.083 0.000 2.028 25 C CB 0.319 28.077 27.740 0.030 0.000 2.440 25 C HN 0.980 nan 8.230 nan 0.000 0.547 26 D N 5.605 126.028 120.400 0.039 0.000 2.502 26 D HA 0.345 4.986 4.640 0.001 0.000 0.301 26 D C -1.345 174.890 176.300 -0.109 0.000 1.202 26 D CA -1.356 52.652 54.000 0.014 0.000 0.878 26 D CB 0.850 41.706 40.800 0.093 0.000 1.062 26 D HN 0.422 nan 8.370 nan 0.000 0.499 27 P HA -0.112 nan 4.420 nan 0.000 0.225 27 P C 0.207 177.185 177.300 -0.537 0.000 1.148 27 P CA 0.696 63.510 63.100 -0.476 0.000 0.779 27 P CB 0.048 31.277 31.700 -0.784 0.000 0.780 28 Y N -1.066 119.116 120.300 -0.196 0.000 2.658 28 Y HA 0.503 5.053 4.550 0.001 0.000 0.276 28 Y C 2.232 177.780 175.900 -0.587 0.000 1.167 28 Y CA -0.541 57.224 58.100 -0.557 0.000 1.230 28 Y CB -0.939 37.178 38.460 -0.572 0.000 1.144 28 Y HN -0.074 nan 8.280 nan 0.000 0.529 29 A N 1.258 123.980 122.820 -0.163 0.000 1.978 29 A HA -0.182 4.138 4.320 0.001 0.000 0.220 29 A C 1.924 179.474 177.584 -0.057 0.000 1.170 29 A CA 1.593 53.588 52.037 -0.070 0.000 0.636 29 A CB -1.054 17.968 19.000 0.036 0.000 0.810 29 A HN 0.820 nan 8.150 nan 0.000 0.448 30 W N -0.312 120.991 121.300 0.004 0.000 2.387 30 W HA -0.079 4.581 4.660 0.001 0.000 0.272 30 W C 0.929 177.416 176.519 -0.052 0.000 1.224 30 W CA 0.708 58.050 57.345 -0.005 0.000 1.210 30 W CB -1.042 28.438 29.460 0.032 0.000 1.125 30 W HN 0.247 nan 8.180 nan 0.000 0.572 31 L N 1.178 122.032 121.223 -0.616 0.000 2.551 31 L HA -0.074 4.267 4.340 0.001 0.000 0.228 31 L C 2.218 178.904 176.870 -0.307 0.000 1.153 31 L CA 1.019 55.505 54.840 -0.591 0.000 0.851 31 L CB -0.521 40.962 42.059 -0.960 0.000 0.959 31 L HN -0.014 nan 8.230 nan 0.000 0.451 32 E N -0.556 119.512 120.200 -0.219 0.000 2.347 32 E HA -0.144 4.207 4.350 0.001 0.000 0.196 32 E C 0.445 176.961 176.600 -0.140 0.000 1.008 32 E CA 0.322 56.594 56.400 -0.214 0.000 0.852 32 E CB 0.100 29.710 29.700 -0.150 0.000 0.783 32 E HN 0.227 nan 8.360 nan 0.000 0.505 33 D N 0.577 120.949 120.400 -0.046 0.000 2.411 33 D HA 0.031 4.672 4.640 0.001 0.000 0.225 33 D C -1.683 174.615 176.300 -0.004 0.000 1.156 33 D CA -2.553 51.445 54.000 -0.004 0.000 0.874 33 D CB 1.140 41.972 40.800 0.053 0.000 1.034 33 D HN -0.111 nan 8.370 nan 0.000 0.502 34 P HA -0.029 nan 4.420 nan 0.000 0.226 34 P C 0.261 177.564 177.300 0.005 0.000 1.153 34 P CA 0.606 63.692 63.100 -0.023 0.000 0.777 34 P CB 0.616 32.287 31.700 -0.049 0.000 0.794 35 D N -0.393 120.014 120.400 0.011 0.000 2.350 35 D HA 0.002 4.643 4.640 0.001 0.000 0.213 35 D C 0.950 177.269 176.300 0.032 0.000 1.031 35 D CA 0.404 54.413 54.000 0.016 0.000 0.861 35 D CB 0.077 40.883 40.800 0.009 0.000 0.926 35 D HN 0.249 nan 8.370 nan 0.000 0.520 36 S N 0.701 116.432 115.700 0.052 0.000 2.585 36 S HA 0.079 4.550 4.470 0.001 0.000 0.273 36 S C 1.279 175.920 174.600 0.068 0.000 1.339 36 S CA -0.492 57.744 58.200 0.060 0.000 1.028 36 S CB 1.988 65.242 63.200 0.090 0.000 0.906 36 S HN -0.144 nan 8.310 nan 0.000 0.528 37 E N 1.857 122.083 120.200 0.044 0.000 2.110 37 E HA -0.176 4.174 4.350 0.001 0.000 0.193 37 E C 2.022 178.666 176.600 0.072 0.000 0.988 37 E CA 1.463 57.889 56.400 0.042 0.000 0.804 37 E CB -0.492 29.215 29.700 0.012 0.000 0.745 37 E HN 0.806 nan 8.360 nan 0.000 0.458 38 Q N -0.112 119.731 119.800 0.071 0.000 2.050 38 Q HA -0.090 4.251 4.340 0.001 0.000 0.202 38 Q C 2.258 178.475 176.000 0.362 0.000 0.980 38 Q CA 2.066 57.934 55.803 0.109 0.000 0.840 38 Q CB -0.454 28.239 28.738 -0.075 0.000 0.898 38 Q HN 0.183 nan 8.270 nan 0.000 0.424 39 T N 0.636 115.398 114.554 0.346 0.000 2.777 39 T HA -0.084 4.266 4.350 0.001 0.000 0.266 39 T C 1.520 176.370 174.700 0.250 0.000 1.040 39 T CA 1.110 63.391 62.100 0.302 0.000 1.141 39 T CB -0.095 68.864 68.868 0.152 0.000 0.868 39 T HN 0.198 nan 8.240 nan 0.000 0.444 40 K N 1.228 121.728 120.400 0.166 0.000 2.063 40 K HA -0.013 4.307 4.320 0.001 0.000 0.208 40 K C 2.621 179.300 176.600 0.132 0.000 1.048 40 K CA 1.267 57.626 56.287 0.121 0.000 0.928 40 K CB -0.270 32.276 32.500 0.076 0.000 0.713 40 K HN 0.280 nan 8.250 nan 0.000 0.442 41 A N 0.985 123.898 122.820 0.155 0.000 1.930 41 A HA -0.154 4.167 4.320 0.001 0.000 0.217 41 A C 1.967 179.658 177.584 0.179 0.000 1.175 41 A CA 0.982 53.101 52.037 0.138 0.000 0.627 41 A CB -0.617 18.454 19.000 0.119 0.000 0.815 41 A HN 0.365 nan 8.150 nan 0.000 0.443 42 F N 0.693 120.719 119.950 0.126 0.000 2.102 42 F HA -0.167 4.360 4.527 0.001 0.000 0.298 42 F C 2.188 178.011 175.800 0.038 0.000 1.105 42 F CA 2.085 60.155 58.000 0.117 0.000 1.239 42 F CB -0.257 38.843 39.000 0.166 0.000 0.991 42 F HN 0.030 nan 8.300 nan 0.000 0.474 43 V N 0.624 120.652 119.914 0.189 0.000 2.295 43 V HA -0.261 3.859 4.120 0.001 0.000 0.246 43 V C 2.453 178.503 176.094 -0.073 0.000 1.049 43 V CA 2.119 64.437 62.300 0.030 0.000 1.024 43 V CB -0.677 31.195 31.823 0.082 0.000 0.648 43 V HN 0.297 nan 8.190 nan 0.000 0.447 44 E N 0.439 120.627 120.200 -0.020 0.000 2.058 44 E HA -0.194 4.156 4.350 0.001 0.000 0.194 44 E C 2.362 178.924 176.600 -0.063 0.000 0.997 44 E CA 1.638 58.020 56.400 -0.030 0.000 0.801 44 E CB -0.686 29.016 29.700 0.005 0.000 0.746 44 E HN 0.569 nan 8.360 nan 0.000 0.450 45 A N 1.383 124.154 122.820 -0.081 0.000 1.933 45 A HA -0.199 4.121 4.320 0.001 0.000 0.218 45 A C 2.119 179.603 177.584 -0.166 0.000 1.175 45 A CA 1.269 53.247 52.037 -0.098 0.000 0.628 45 A CB -0.273 18.680 19.000 -0.078 0.000 0.814 45 A HN 0.117 nan 8.150 nan 0.000 0.444 46 Q N 0.003 119.632 119.800 -0.285 0.000 2.049 46 Q HA -0.116 4.224 4.340 0.001 0.000 0.198 46 Q C 1.721 177.612 176.000 -0.182 0.000 0.971 46 Q CA 1.368 56.989 55.803 -0.303 0.000 0.833 46 Q CB -0.568 27.892 28.738 -0.463 0.000 0.896 46 Q HN 0.638 nan 8.270 nan 0.000 0.434 47 N N 1.200 119.815 118.700 -0.141 0.000 2.223 47 N HA -0.151 4.589 4.740 0.001 0.000 0.185 47 N C 1.578 177.068 175.510 -0.033 0.000 1.016 47 N CA 0.967 53.980 53.050 -0.063 0.000 0.863 47 N CB -0.176 38.266 38.487 -0.075 0.000 0.983 47 N HN 0.226 nan 8.380 nan 0.000 0.429 48 K N 0.989 121.356 120.400 -0.056 0.000 2.209 48 K HA -0.047 4.274 4.320 0.001 0.000 0.204 48 K C 1.859 178.426 176.600 -0.056 0.000 1.048 48 K CA 0.894 57.159 56.287 -0.036 0.000 0.940 48 K CB 0.033 32.516 32.500 -0.029 0.000 0.729 48 K HN 0.382 nan 8.250 nan 0.000 0.451 49 I N -4.092 116.404 120.570 -0.124 0.000 3.081 49 I HA 0.039 4.209 4.170 0.001 0.000 0.274 49 I C 1.587 177.537 176.117 -0.279 0.000 1.178 49 I CA 0.356 61.505 61.300 -0.250 0.000 1.460 49 I CB -0.233 37.515 38.000 -0.421 0.000 1.137 49 I HN -0.151 nan 8.210 nan 0.000 0.443 50 T N 1.778 116.226 114.554 -0.177 0.000 2.737 50 T HA -0.057 4.293 4.350 0.001 0.000 0.265 50 T C 2.098 176.828 174.700 0.049 0.000 1.038 50 T CA 1.816 63.868 62.100 -0.079 0.000 1.144 50 T CB -0.228 68.621 68.868 -0.032 0.000 0.866 50 T HN 0.190 nan 8.240 nan 0.000 0.434 51 V N 2.274 122.218 119.914 0.051 0.000 2.261 51 V HA -0.104 4.017 4.120 0.001 0.000 0.246 51 V C -0.503 175.623 176.094 0.054 0.000 1.047 51 V CA 1.717 64.048 62.300 0.053 0.000 1.015 51 V CB -1.599 30.263 31.823 0.064 0.000 0.642 51 V HN 0.356 nan 8.190 nan 0.000 0.446 52 P HA -0.187 nan 4.420 nan 0.000 0.218 52 P C 1.694 179.047 177.300 0.089 0.000 1.148 52 P CA 1.461 64.594 63.100 0.056 0.000 0.822 52 P CB -0.124 31.610 31.700 0.057 0.000 0.784 53 F N 0.134 120.077 119.950 -0.013 0.000 2.102 53 F HA -0.146 4.381 4.527 0.001 0.000 0.298 53 F C 1.919 177.761 175.800 0.070 0.000 1.105 53 F CA 1.475 59.502 58.000 0.044 0.000 1.239 53 F CB -0.725 38.288 39.000 0.020 0.000 0.991 53 F HN -0.258 nan 8.300 nan 0.000 0.474 54 L N -0.274 121.075 121.223 0.209 0.000 2.201 54 L HA -0.142 4.199 4.340 0.001 0.000 0.212 54 L C 1.782 178.650 176.870 -0.004 0.000 1.105 54 L CA 1.368 56.281 54.840 0.123 0.000 0.775 54 L CB -0.556 41.568 42.059 0.108 0.000 0.913 54 L HN 0.196 nan 8.230 nan 0.000 0.440 55 E N -0.794 119.397 120.200 -0.016 0.000 2.481 55 E HA -0.101 4.250 4.350 0.001 0.000 0.198 55 E C 1.742 178.312 176.600 -0.050 0.000 1.027 55 E CA -0.113 56.269 56.400 -0.030 0.000 0.900 55 E CB 0.333 30.024 29.700 -0.014 0.000 0.993 55 E HN 0.433 nan 8.360 nan 0.000 0.482 56 Q N 0.558 120.309 119.800 -0.082 0.000 2.030 56 Q HA -0.131 4.209 4.340 0.001 0.000 0.204 56 Q C 0.381 176.333 176.000 -0.081 0.000 0.986 56 Q CA 1.153 56.905 55.803 -0.085 0.000 0.843 56 Q CB 0.125 28.787 28.738 -0.126 0.000 0.904 56 Q HN 0.210 nan 8.270 nan 0.000 0.420 57 C N 2.464 121.703 119.300 -0.101 0.000 2.514 57 C HA 0.214 4.674 4.460 0.001 0.000 0.392 57 C C -1.111 173.843 174.990 -0.061 0.000 1.294 57 C CA -1.408 57.567 59.018 -0.072 0.000 1.957 57 C CB 0.720 28.417 27.740 -0.071 0.000 2.541 57 C HN 0.511 nan 8.230 nan 0.000 0.569 58 P HA -0.145 nan 4.420 nan 0.000 0.224 58 P C 1.352 178.574 177.300 -0.129 0.000 1.142 58 P CA 1.075 64.124 63.100 -0.084 0.000 0.778 58 P CB -0.005 31.650 31.700 -0.076 0.000 0.764 59 I N -0.053 120.462 120.570 -0.091 0.000 2.264 59 I HA -0.246 3.924 4.170 0.001 0.000 0.248 59 I C 2.698 178.750 176.117 -0.107 0.000 1.111 59 I CA 1.393 62.632 61.300 -0.102 0.000 1.382 59 I CB -0.186 37.855 38.000 0.068 0.000 1.060 59 I HN -0.211 nan 8.210 nan 0.000 0.418 60 R N 0.238 120.708 120.500 -0.051 0.000 2.091 60 R HA -0.160 4.181 4.340 0.001 0.000 0.238 60 R C 2.261 178.536 176.300 -0.042 0.000 1.136 60 R CA 1.658 57.748 56.100 -0.017 0.000 0.959 60 R CB -0.738 29.551 30.300 -0.017 0.000 0.856 60 R HN 0.534 nan 8.270 nan 0.000 0.437 61 G N 0.671 109.411 108.800 -0.100 0.000 2.402 61 G HA2 -0.202 3.758 3.960 0.001 0.000 0.216 61 G HA3 -0.202 3.758 3.960 0.001 0.000 0.216 61 G C 1.457 176.231 174.900 -0.211 0.000 1.162 61 G CA 0.459 45.488 45.100 -0.118 0.000 0.777 61 G HN 0.217 nan 8.290 nan 0.000 0.539 62 L N -1.112 119.873 121.223 -0.397 0.000 2.017 62 L HA -0.057 4.283 4.340 0.001 0.000 0.208 62 L C 2.557 178.967 176.870 -0.766 0.000 1.073 62 L CA 1.218 55.613 54.840 -0.742 0.000 0.745 62 L CB -0.511 40.704 42.059 -1.407 0.000 0.894 62 L HN 0.250 nan 8.230 nan 0.000 0.432 63 Y N 0.991 120.861 120.300 -0.717 0.000 2.145 63 Y HA -0.322 4.228 4.550 0.001 0.000 0.286 63 Y C 2.766 178.608 175.900 -0.097 0.000 1.145 63 Y CA 1.960 59.907 58.100 -0.254 0.000 1.148 63 Y CB -0.132 38.334 38.460 0.010 0.000 0.981 63 Y HN 0.015 nan 8.280 nan 0.000 0.507 64 K N 0.349 120.830 120.400 0.135 0.000 2.063 64 K HA -0.290 4.030 4.320 0.001 0.000 0.208 64 K C 2.226 178.821 176.600 -0.008 0.000 1.048 64 K CA 1.970 58.317 56.287 0.100 0.000 0.928 64 K CB -0.329 32.207 32.500 0.060 0.000 0.713 64 K HN 0.548 nan 8.250 nan 0.000 0.442 65 E N 0.147 120.304 120.200 -0.071 0.000 2.051 65 E HA -0.254 4.096 4.350 0.001 0.000 0.192 65 E C 2.164 178.724 176.600 -0.067 0.000 0.991 65 E CA 1.104 57.462 56.400 -0.069 0.000 0.799 65 E CB -0.026 29.615 29.700 -0.098 0.000 0.748 65 E HN 0.102 nan 8.360 nan 0.000 0.449 66 R N 0.196 120.623 120.500 -0.121 0.000 2.081 66 R HA -0.122 4.218 4.340 0.001 0.000 0.235 66 R C 2.245 178.482 176.300 -0.106 0.000 1.131 66 R CA 1.770 57.804 56.100 -0.110 0.000 0.960 66 R CB -0.530 29.689 30.300 -0.136 0.000 0.856 66 R HN 0.287 nan 8.270 nan 0.000 0.436 67 M N -0.407 119.085 119.600 -0.180 0.000 2.117 67 M HA -0.113 4.368 4.480 0.001 0.000 0.262 67 M C 1.711 178.044 176.300 0.055 0.000 1.065 67 M CA 2.029 57.270 55.300 -0.099 0.000 1.114 67 M CB -0.589 31.963 32.600 -0.080 0.000 1.361 67 M HN 0.137 nan 8.290 nan 0.000 0.408 68 T N 0.305 114.887 114.554 0.047 0.000 2.746 68 T HA -0.132 4.218 4.350 0.001 0.000 0.267 68 T C 1.639 176.391 174.700 0.086 0.000 1.039 68 T CA 1.813 63.962 62.100 0.081 0.000 1.142 68 T CB -0.260 68.635 68.868 0.045 0.000 0.866 68 T HN 0.531 nan 8.240 nan 0.000 0.444 69 E N 0.659 120.896 120.200 0.061 0.000 2.028 69 E HA -0.002 4.349 4.350 0.001 0.000 0.191 69 E C 2.203 178.876 176.600 0.120 0.000 0.988 69 E CA 0.880 57.322 56.400 0.071 0.000 0.799 69 E CB -0.189 29.541 29.700 0.050 0.000 0.755 69 E HN 0.378 nan 8.360 nan 0.000 0.447 70 L N -0.297 121.010 121.223 0.140 0.000 2.179 70 L HA -0.106 4.234 4.340 0.001 0.000 0.208 70 L C 2.268 179.371 176.870 0.390 0.000 1.096 70 L CA 0.549 55.516 54.840 0.211 0.000 0.779 70 L CB -0.140 42.011 42.059 0.154 0.000 0.922 70 L HN 0.192 nan 8.230 nan 0.000 0.443 71 Y N 0.492 120.899 120.300 0.179 0.000 2.561 71 Y HA -0.073 4.477 4.550 0.001 0.000 0.291 71 Y C 1.019 176.912 175.900 -0.011 0.000 1.141 71 Y CA 0.027 58.226 58.100 0.166 0.000 1.303 71 Y CB -0.235 38.255 38.460 0.051 0.000 1.015 71 Y HN 0.076 nan 8.280 nan 0.000 0.547 72 D N 1.206 121.647 120.400 0.068 0.000 2.545 72 D HA 0.048 4.688 4.640 0.001 0.000 0.227 72 D C -1.210 175.110 176.300 0.034 0.000 1.150 72 D CA 0.165 54.133 54.000 -0.054 0.000 1.046 72 D CB -1.236 39.574 40.800 0.015 0.000 1.098 72 D HN 0.344 nan 8.370 nan 0.000 0.502 73 Y N -0.393 119.851 120.300 -0.092 0.000 2.553 73 Y HA 0.677 5.228 4.550 0.001 0.000 0.347 73 Y C -2.822 173.038 175.900 -0.066 0.000 1.019 73 Y CA -3.173 54.903 58.100 -0.040 0.000 1.032 73 Y CB 0.607 39.071 38.460 0.007 0.000 1.284 73 Y HN -0.084 nan 8.280 nan 0.000 0.466 74 P HA 0.131 nan 4.420 nan 0.000 0.264 74 P C -1.386 175.975 177.300 0.102 0.000 1.193 74 P CA -0.052 63.103 63.100 0.092 0.000 0.763 74 P CB 0.907 32.794 31.700 0.311 0.000 0.810 75 K N 3.137 123.476 120.400 -0.102 0.000 2.450 75 K HA 0.437 4.757 4.320 0.001 0.000 0.257 75 K C -0.881 175.751 176.600 0.053 0.000 0.953 75 K CA -0.374 55.919 56.287 0.009 0.000 0.844 75 K CB 1.209 33.628 32.500 -0.134 0.000 1.103 75 K HN 0.363 nan 8.250 nan 0.000 0.429 76 Y N 0.345 120.814 120.300 0.282 0.000 2.429 76 Y HA 0.324 4.874 4.550 0.001 0.000 0.342 76 Y C 0.753 176.832 175.900 0.299 0.000 1.004 76 Y CA -0.720 57.572 58.100 0.320 0.000 1.075 76 Y CB 2.047 40.613 38.460 0.178 0.000 1.214 76 Y HN 0.582 nan 8.280 nan 0.000 0.455 77 S N 0.702 116.730 115.700 0.548 0.000 2.693 77 S HA 0.383 4.854 4.470 0.001 0.000 0.276 77 S C -0.174 174.687 174.600 0.434 0.000 1.192 77 S CA -0.869 57.619 58.200 0.480 0.000 0.994 77 S CB 0.656 64.222 63.200 0.611 0.000 1.012 77 S HN 0.733 nan 8.310 nan 0.000 0.550 78 C N 2.403 121.915 119.300 0.353 0.000 2.634 78 C HA 0.193 4.653 4.460 0.001 0.000 0.417 78 C C 0.882 175.994 174.990 0.203 0.000 1.334 78 C CA 0.081 59.239 59.018 0.233 0.000 1.829 78 C CB -1.629 26.255 27.740 0.240 0.000 2.665 78 C HN 0.883 nan 8.230 nan 0.000 0.614 79 H N 1.804 120.607 119.070 -0.446 0.000 2.871 79 H HA 0.398 4.954 4.556 0.001 0.000 0.355 79 H C -0.096 175.071 175.328 -0.268 0.000 1.092 79 H CA 0.961 56.675 56.048 -0.558 0.000 1.420 79 H CB 0.164 29.117 29.762 -1.349 0.000 1.400 79 H HN 0.546 nan 8.280 nan 0.000 0.604 80 F N -0.697 119.246 119.950 -0.011 0.000 2.601 80 F HA 0.504 5.031 4.527 0.001 0.000 0.309 80 F C -0.771 175.056 175.800 0.045 0.000 1.089 80 F CA -1.387 56.648 58.000 0.058 0.000 0.940 80 F CB 1.278 40.316 39.000 0.063 0.000 1.273 80 F HN 0.260 nan 8.300 nan 0.000 0.450 81 K N 2.500 122.931 120.400 0.052 0.000 2.185 81 K HA 0.509 4.830 4.320 0.001 0.000 0.269 81 K C -1.176 175.337 176.600 -0.145 0.000 0.987 81 K CA -0.737 55.373 56.287 -0.295 0.000 0.865 81 K CB 0.909 33.135 32.500 -0.457 0.000 1.090 81 K HN 0.636 nan 8.250 nan 0.000 0.450 82 K N 2.712 122.980 120.400 -0.220 0.000 2.507 82 K HA 0.297 4.618 4.320 0.001 0.000 0.252 82 K C 0.089 176.594 176.600 -0.158 0.000 0.943 82 K CA -0.193 55.952 56.287 -0.237 0.000 0.808 82 K CB 1.610 33.690 32.500 -0.700 0.000 1.142 82 K HN 0.941 nan 8.250 nan 0.000 0.426 83 G N 3.884 112.617 108.800 -0.111 0.000 2.611 83 G HA2 -0.405 3.555 3.960 0.001 0.000 0.301 83 G HA3 -0.405 3.555 3.960 0.001 0.000 0.301 83 G C 0.367 175.189 174.900 -0.129 0.000 1.233 83 G CA 0.720 45.769 45.100 -0.085 0.000 0.993 83 G HN 0.693 nan 8.290 nan 0.000 0.553 84 K N 0.801 121.128 120.400 -0.121 0.000 2.437 84 K HA 0.351 4.671 4.320 0.001 0.000 0.198 84 K C 0.838 177.308 176.600 -0.216 0.000 1.024 84 K CA 0.090 56.290 56.287 -0.144 0.000 1.148 84 K CB 0.382 32.831 32.500 -0.085 0.000 0.860 84 K HN 0.518 nan 8.250 nan 0.000 0.515 85 R N 0.328 120.649 120.500 -0.299 0.000 2.854 85 R HA 0.366 4.707 4.340 0.001 0.000 0.271 85 R C -1.290 174.631 176.300 -0.632 0.000 0.996 85 R CA -0.863 54.975 56.100 -0.437 0.000 0.961 85 R CB 1.123 31.087 30.300 -0.560 0.000 1.182 85 R HN -0.009 nan 8.270 nan 0.000 0.479 86 Y N 0.619 120.579 120.300 -0.565 0.000 2.387 86 Y HA 0.448 4.998 4.550 0.001 0.000 0.330 86 Y C -0.368 174.897 175.900 -1.058 0.000 1.133 86 Y CA -0.259 57.506 58.100 -0.558 0.000 1.152 86 Y CB 1.145 39.456 38.460 -0.248 0.000 1.215 86 Y HN 0.347 nan 8.280 nan 0.000 0.466 87 F N 1.919 121.395 119.950 -0.790 0.000 2.577 87 F HA 0.616 5.143 4.527 0.001 0.000 0.318 87 F C -0.944 174.279 175.800 -0.962 0.000 1.065 87 F CA -1.391 55.973 58.000 -1.061 0.000 0.929 87 F CB 1.779 39.875 39.000 -1.507 0.000 1.237 87 F HN 0.398 nan 8.300 nan 0.000 0.468 88 Y N -0.964 119.015 120.300 -0.536 0.000 2.592 88 Y HA 0.708 5.258 4.550 0.001 0.000 0.334 88 Y C -2.059 173.802 175.900 -0.066 0.000 1.136 88 Y CA -2.331 55.630 58.100 -0.232 0.000 1.042 88 Y CB 0.672 38.950 38.460 -0.303 0.000 1.325 88 Y HN 0.380 nan 8.280 nan 0.000 0.457 89 F N 2.592 122.779 119.950 0.394 0.000 2.379 89 F HA 0.582 5.110 4.527 0.001 0.000 0.332 89 F C -0.523 175.562 175.800 0.475 0.000 1.096 89 F CA -0.369 57.833 58.000 0.337 0.000 1.105 89 F CB 1.319 40.484 39.000 0.276 0.000 1.189 89 F HN 0.598 nan 8.300 nan 0.000 0.515 90 Y N 3.052 123.593 120.300 0.402 0.000 2.442 90 Y HA 0.362 4.913 4.550 0.001 0.000 0.330 90 Y C -1.775 174.171 175.900 0.076 0.000 1.100 90 Y CA -1.567 56.604 58.100 0.118 0.000 1.034 90 Y CB 1.298 39.770 38.460 0.020 0.000 1.285 90 Y HN 0.595 nan 8.280 nan 0.000 0.440 91 N N 2.927 121.319 118.700 -0.513 0.000 2.354 91 N HA 0.188 4.928 4.740 0.001 0.000 0.287 91 N C 0.586 175.531 175.510 -0.942 0.000 1.016 91 N CA 0.350 53.046 53.050 -0.590 0.000 0.871 91 N CB 2.118 40.413 38.487 -0.321 0.000 1.299 91 N HN 0.870 nan 8.380 nan 0.000 0.482 92 T N 0.266 114.292 114.554 -0.880 0.000 2.929 92 T HA 0.096 4.446 4.350 0.001 0.000 0.271 92 T C 1.158 175.667 174.700 -0.319 0.000 1.085 92 T CA 1.504 63.255 62.100 -0.582 0.000 1.125 92 T CB 0.107 68.797 68.868 -0.297 0.000 0.874 92 T HN 0.648 nan 8.240 nan 0.000 0.494 93 G N 0.636 109.226 108.800 -0.350 0.000 4.366 93 G HA2 0.068 4.029 3.960 0.001 0.000 0.194 93 G HA3 0.068 4.029 3.960 0.001 0.000 0.194 93 G C 0.595 175.278 174.900 -0.362 0.000 1.275 93 G CA -0.034 44.853 45.100 -0.354 0.000 0.847 93 G HN 0.418 nan 8.290 nan 0.000 0.299 94 L N 1.658 122.750 121.223 -0.218 0.000 3.069 94 L HA 0.378 4.718 4.340 0.001 0.000 0.271 94 L C 0.667 177.481 176.870 -0.093 0.000 1.201 94 L CA -0.124 54.638 54.840 -0.130 0.000 1.015 94 L CB 0.817 42.840 42.059 -0.060 0.000 1.371 94 L HN 0.219 nan 8.230 nan 0.000 0.574 95 Q N 0.401 120.124 119.800 -0.130 0.000 2.361 95 Q HA 0.007 4.348 4.340 0.001 0.000 0.276 95 Q C 0.601 176.567 176.000 -0.057 0.000 1.022 95 Q CA -0.207 55.541 55.803 -0.091 0.000 0.898 95 Q CB 0.812 29.481 28.738 -0.114 0.000 1.246 95 Q HN 0.160 nan 8.270 nan 0.000 0.410 96 N N 0.885 119.568 118.700 -0.028 0.000 2.149 96 N HA -0.123 4.617 4.740 0.001 0.000 0.188 96 N C -0.181 175.328 175.510 -0.002 0.000 1.019 96 N CA 1.317 54.365 53.050 -0.004 0.000 0.857 96 N CB 0.330 38.817 38.487 0.001 0.000 0.997 96 N HN 0.495 nan 8.380 nan 0.000 0.426 97 Q N 0.383 120.175 119.800 -0.014 0.000 2.375 97 Q HA 0.248 4.588 4.340 0.001 0.000 0.271 97 Q C -0.354 175.640 176.000 -0.011 0.000 1.074 97 Q CA -0.587 55.213 55.803 -0.005 0.000 0.808 97 Q CB 2.657 31.400 28.738 0.008 0.000 1.327 97 Q HN 0.341 nan 8.270 nan 0.000 0.441 98 R N -0.457 120.049 120.500 0.009 0.000 2.694 98 R HA 0.475 4.816 4.340 0.001 0.000 0.268 98 R C -0.443 175.945 176.300 0.148 0.000 1.061 98 R CA -0.395 55.740 56.100 0.059 0.000 1.133 98 R CB 0.203 30.564 30.300 0.102 0.000 1.020 98 R HN 0.197 nan 8.270 nan 0.000 0.475 99 V N 3.169 123.182 119.914 0.164 0.000 2.547 99 V HA 0.210 4.331 4.120 0.001 0.000 0.299 99 V C -0.341 175.779 176.094 0.044 0.000 1.040 99 V CA -1.112 61.209 62.300 0.035 0.000 0.913 99 V CB 1.502 33.230 31.823 -0.158 0.000 0.992 99 V HN 0.594 nan 8.190 nan 0.000 0.449 100 L N 5.712 126.834 121.223 -0.169 0.000 2.281 100 L HA 0.499 4.840 4.340 0.001 0.000 0.285 100 L C -0.925 175.647 176.870 -0.496 0.000 1.074 100 L CA 0.249 54.823 54.840 -0.443 0.000 0.817 100 L CB 0.140 41.917 42.059 -0.470 0.000 1.168 100 L HN 0.519 nan 8.230 nan 0.000 0.434 101 Y N 3.547 123.505 120.300 -0.570 0.000 2.496 101 Y HA 0.679 5.229 4.550 0.001 0.000 0.331 101 Y C -0.066 175.425 175.900 -0.682 0.000 1.140 101 Y CA -0.497 57.232 58.100 -0.619 0.000 1.166 101 Y CB 1.988 39.859 38.460 -0.980 0.000 1.249 101 Y HN 0.408 nan 8.280 nan 0.000 0.479 102 V N 3.124 122.796 119.914 -0.403 0.000 2.735 102 V HA 0.587 4.707 4.120 0.001 0.000 0.310 102 V C -1.533 174.311 176.094 -0.417 0.000 1.061 102 V CA -0.452 61.410 62.300 -0.730 0.000 0.913 102 V CB 1.862 33.155 31.823 -0.883 0.000 1.005 102 V HN 0.893 nan 8.190 nan 0.000 0.428 103 Q N 3.069 122.610 119.800 -0.433 0.000 2.379 103 Q HA 0.505 4.846 4.340 0.001 0.000 0.278 103 Q C -1.094 174.792 176.000 -0.191 0.000 1.068 103 Q CA -0.877 54.808 55.803 -0.196 0.000 0.816 103 Q CB 2.230 30.943 28.738 -0.042 0.000 1.387 103 Q HN 0.571 nan 8.270 nan 0.000 0.413 104 D N 1.052 121.381 120.400 -0.119 0.000 2.347 104 D HA 0.016 4.656 4.640 0.001 0.000 0.215 104 D C 0.175 176.477 176.300 0.004 0.000 0.976 104 D CA 1.183 55.127 54.000 -0.094 0.000 0.884 104 D CB 0.510 41.262 40.800 -0.079 0.000 0.915 104 D HN 0.617 nan 8.370 nan 0.000 0.526 105 S N -1.278 114.461 115.700 0.064 0.000 2.587 105 S HA 0.188 4.658 4.470 0.001 0.000 0.269 105 S C 0.324 174.937 174.600 0.022 0.000 1.154 105 S CA -0.743 57.538 58.200 0.135 0.000 0.824 105 S CB 1.093 64.326 63.200 0.054 0.000 1.118 105 S HN -0.162 nan 8.310 nan 0.000 0.462 106 L N 1.363 122.506 121.223 -0.133 0.000 2.127 106 L HA 0.091 4.431 4.340 0.001 0.000 0.211 106 L C 2.176 178.941 176.870 -0.175 0.000 1.089 106 L CA 2.006 56.638 54.840 -0.346 0.000 0.757 106 L CB -0.981 40.827 42.059 -0.418 0.000 0.899 106 L HN 0.900 nan 8.230 nan 0.000 0.434 107 E N -1.456 118.681 120.200 -0.106 0.000 2.472 107 E HA 0.144 4.494 4.350 0.001 0.000 0.196 107 E C 0.997 177.555 176.600 -0.070 0.000 1.033 107 E CA 0.192 56.537 56.400 -0.092 0.000 0.886 107 E CB 0.062 29.720 29.700 -0.070 0.000 0.944 107 E HN 0.453 nan 8.360 nan 0.000 0.492 108 G N 1.418 110.187 108.800 -0.052 0.000 2.503 108 G HA2 0.010 3.970 3.960 0.001 0.000 0.257 108 G HA3 0.010 3.970 3.960 0.001 0.000 0.257 108 G C -0.440 174.438 174.900 -0.038 0.000 1.214 108 G CA -0.475 44.602 45.100 -0.039 0.000 0.839 108 G HN 0.057 nan 8.290 nan 0.000 0.559 109 E N 0.223 120.403 120.200 -0.033 0.000 2.415 109 E HA 0.356 4.706 4.350 0.001 0.000 0.263 109 E C 0.510 177.104 176.600 -0.009 0.000 0.995 109 E CA -0.361 56.026 56.400 -0.023 0.000 0.915 109 E CB 0.483 30.172 29.700 -0.018 0.000 0.951 109 E HN 0.529 nan 8.360 nan 0.000 0.449 110 A N 5.207 128.037 122.820 0.018 0.000 2.316 110 A HA 0.483 4.803 4.320 0.001 0.000 0.284 110 A C -0.230 177.410 177.584 0.093 0.000 1.115 110 A CA -0.533 51.537 52.037 0.055 0.000 0.812 110 A CB 0.636 19.715 19.000 0.131 0.000 1.064 110 A HN 0.788 nan 8.150 nan 0.000 0.489 111 R N 0.651 121.209 120.500 0.097 0.000 2.837 111 R HA 0.637 4.978 4.340 0.001 0.000 0.271 111 R C -1.589 174.749 176.300 0.063 0.000 0.993 111 R CA -0.776 55.389 56.100 0.108 0.000 0.931 111 R CB 0.933 31.248 30.300 0.025 0.000 1.206 111 R HN 0.315 nan 8.270 nan 0.000 0.474 112 V N 2.946 122.819 119.914 -0.068 0.000 2.557 112 V HA -0.044 4.076 4.120 0.001 0.000 0.301 112 V C 0.500 176.472 176.094 -0.204 0.000 1.026 112 V CA 0.588 62.663 62.300 -0.375 0.000 1.137 112 V CB 0.005 31.645 31.823 -0.306 0.000 0.917 112 V HN 0.731 nan 8.190 nan 0.000 0.484 113 F N 5.705 125.398 119.950 -0.428 0.000 2.399 113 F HA 0.453 4.980 4.527 0.001 0.000 0.282 113 F C 0.338 175.943 175.800 -0.325 0.000 1.027 113 F CA 0.337 58.147 58.000 -0.317 0.000 1.333 113 F CB 0.568 39.401 39.000 -0.279 0.000 1.132 113 F HN 0.351 nan 8.300 nan 0.000 0.590 114 L N 1.308 122.281 121.223 -0.415 0.000 2.441 114 L HA 0.383 4.723 4.340 0.001 0.000 0.270 114 L C -1.830 174.871 176.870 -0.281 0.000 0.973 114 L CA -0.376 54.202 54.840 -0.436 0.000 0.842 114 L CB 1.269 43.044 42.059 -0.474 0.000 1.239 114 L HN 0.021 nan 8.230 nan 0.000 0.406 115 D N 6.235 126.492 120.400 -0.237 0.000 2.464 115 D HA 0.473 5.113 4.640 0.001 0.000 0.243 115 D C -2.042 174.200 176.300 -0.098 0.000 1.104 115 D CA -2.066 51.836 54.000 -0.164 0.000 0.883 115 D CB 1.987 42.686 40.800 -0.169 0.000 1.050 115 D HN 0.309 nan 8.370 nan 0.000 0.524 116 P HA -0.037 nan 4.420 nan 0.000 0.222 116 P C 1.052 178.343 177.300 -0.014 0.000 1.147 116 P CA 0.486 63.578 63.100 -0.013 0.000 0.790 116 P CB 0.336 32.050 31.700 0.024 0.000 0.780 117 N N 0.297 118.980 118.700 -0.028 0.000 2.223 117 N HA -0.116 4.624 4.740 0.001 0.000 0.185 117 N C 1.625 177.121 175.510 -0.023 0.000 1.016 117 N CA 1.201 54.236 53.050 -0.025 0.000 0.863 117 N CB -0.439 38.028 38.487 -0.034 0.000 0.983 117 N HN 0.349 nan 8.380 nan 0.000 0.429 118 I N -1.956 118.595 120.570 -0.031 0.000 3.564 118 I HA 0.040 4.210 4.170 0.001 0.000 0.294 118 I C 1.311 177.419 176.117 -0.016 0.000 1.289 118 I CA 0.495 61.779 61.300 -0.027 0.000 1.325 118 I CB -0.216 37.761 38.000 -0.037 0.000 1.039 118 I HN -0.080 nan 8.210 nan 0.000 0.474 119 L N 1.175 122.393 121.223 -0.008 0.000 2.558 119 L HA 0.221 4.561 4.340 0.001 0.000 0.225 119 L C 0.593 177.465 176.870 0.003 0.000 1.128 119 L CA 0.129 54.971 54.840 0.004 0.000 0.868 119 L CB -0.333 41.738 42.059 0.020 0.000 1.006 119 L HN 0.552 nan 8.230 nan 0.000 0.454 120 S N -3.856 111.843 115.700 -0.001 0.000 2.547 120 S HA 0.245 4.715 4.470 0.001 0.000 0.270 120 S C -0.192 174.406 174.600 -0.004 0.000 1.150 120 S CA -0.840 57.359 58.200 -0.002 0.000 0.850 120 S CB 1.689 64.888 63.200 -0.003 0.000 1.118 120 S HN -0.125 nan 8.310 nan 0.000 0.461 121 D N 1.179 121.577 120.400 -0.003 0.000 2.144 121 D HA -0.031 4.609 4.640 0.001 0.000 0.199 121 D C 0.953 177.253 176.300 -0.001 0.000 0.984 121 D CA 2.118 56.117 54.000 -0.002 0.000 0.834 121 D CB -0.067 40.733 40.800 -0.000 0.000 0.955 121 D HN 0.802 nan 8.370 nan 0.000 0.465 122 D N -2.085 118.315 120.400 -0.001 0.000 2.440 122 D HA 0.216 4.856 4.640 0.001 0.000 0.216 122 D C 1.185 177.487 176.300 0.003 0.000 1.150 122 D CA 0.245 54.247 54.000 0.002 0.000 0.832 122 D CB -0.134 40.668 40.800 0.004 0.000 0.992 122 D HN 0.100 nan 8.370 nan 0.000 0.502 123 G N 0.968 109.768 108.800 0.000 0.000 2.198 123 G HA2 -0.323 3.637 3.960 0.001 0.000 0.260 123 G HA3 -0.323 3.637 3.960 0.001 0.000 0.260 123 G C 0.869 175.772 174.900 0.004 0.000 1.025 123 G CA 0.924 46.025 45.100 0.002 0.000 0.769 123 G HN 0.625 nan 8.290 nan 0.000 0.507 124 T N -3.019 111.533 114.554 -0.003 0.000 3.163 124 T HA 0.517 4.868 4.350 0.001 0.000 0.252 124 T C 0.574 175.269 174.700 -0.008 0.000 1.056 124 T CA 0.326 62.420 62.100 -0.011 0.000 0.947 124 T CB 1.005 69.853 68.868 -0.033 0.000 1.016 124 T HN 0.536 nan 8.240 nan 0.000 0.554 125 V N 1.941 121.858 119.914 0.006 0.000 2.370 125 V HA 0.794 4.914 4.120 0.001 0.000 0.279 125 V C 0.136 176.250 176.094 0.035 0.000 1.029 125 V CA -0.839 61.474 62.300 0.021 0.000 0.870 125 V CB 0.746 32.584 31.823 0.024 0.000 0.984 125 V HN 0.668 nan 8.190 nan 0.000 0.451 126 A N 4.613 127.462 122.820 0.048 0.000 2.435 126 A HA 0.826 5.147 4.320 0.001 0.000 0.304 126 A C -0.944 176.693 177.584 0.089 0.000 1.064 126 A CA -0.770 51.302 52.037 0.057 0.000 0.727 126 A CB 1.493 20.520 19.000 0.044 0.000 1.284 126 A HN 0.841 nan 8.150 nan 0.000 0.415 127 L N 1.324 122.613 121.223 0.110 0.000 2.499 127 L HA 0.422 4.762 4.340 0.001 0.000 0.273 127 L C 0.552 177.501 176.870 0.132 0.000 1.195 127 L CA 0.905 55.845 54.840 0.167 0.000 0.882 127 L CB 0.139 42.322 42.059 0.208 0.000 1.133 127 L HN 0.684 nan 8.230 nan 0.000 0.483 128 R N 4.476 125.060 120.500 0.140 0.000 2.576 128 R HA 0.551 4.892 4.340 0.001 0.000 0.283 128 R C -0.616 175.747 176.300 0.105 0.000 1.493 128 R CA 0.142 56.303 56.100 0.102 0.000 1.170 128 R CB 0.495 30.834 30.300 0.066 0.000 1.189 128 R HN 1.069 nan 8.270 nan 0.000 0.542 129 G N 2.987 111.867 108.800 0.135 0.000 2.721 129 G HA2 -0.204 3.756 3.960 0.001 0.000 0.686 129 G HA3 -0.204 3.756 3.960 0.001 0.000 0.686 129 G C -1.459 173.546 174.900 0.175 0.000 1.236 129 G CA -0.232 44.911 45.100 0.071 0.000 0.786 129 G HN 0.750 nan 8.290 nan 0.000 0.616 130 Y N -2.331 118.004 120.300 0.059 0.000 2.677 130 Y HA 0.890 5.440 4.550 0.001 0.000 0.334 130 Y C -0.308 175.624 175.900 0.054 0.000 1.196 130 Y CA -1.041 57.039 58.100 -0.034 0.000 1.059 130 Y CB 0.864 39.362 38.460 0.064 0.000 1.315 130 Y HN 2.251 nan 8.280 nan 0.000 0.455 131 A N 1.873 124.794 122.820 0.168 0.000 2.488 131 A HA 0.717 5.037 4.320 0.001 0.000 0.295 131 A C -2.149 175.709 177.584 0.457 0.000 1.045 131 A CA -0.628 51.632 52.037 0.373 0.000 0.703 131 A CB 0.615 19.856 19.000 0.401 0.000 1.271 131 A HN 0.594 nan 8.150 nan 0.000 0.400 132 F N 1.902 122.108 119.950 0.427 0.000 2.375 132 F HA 0.477 5.005 4.527 0.001 0.000 0.333 132 F C 1.574 177.239 175.800 -0.225 0.000 1.104 132 F CA 0.419 58.528 58.000 0.182 0.000 1.149 132 F CB 1.639 40.713 39.000 0.123 0.000 1.190 132 F HN 0.686 nan 8.300 nan 0.000 0.533 133 S N 0.739 116.022 115.700 -0.695 0.000 2.569 133 S HA -0.040 4.430 4.470 0.001 0.000 0.274 133 S C 1.176 175.672 174.600 -0.174 0.000 1.353 133 S CA -0.346 57.363 58.200 -0.818 0.000 1.023 133 S CB 0.795 63.472 63.200 -0.871 0.000 0.876 133 S HN 0.744 nan 8.310 nan 0.000 0.540 134 E N 1.323 121.452 120.200 -0.118 0.000 2.118 134 E HA -0.227 4.124 4.350 0.001 0.000 0.195 134 E C 1.262 177.806 176.600 -0.093 0.000 0.992 134 E CA 2.013 58.310 56.400 -0.171 0.000 0.804 134 E CB -0.455 28.938 29.700 -0.511 0.000 0.741 134 E HN 0.879 nan 8.360 nan 0.000 0.458 135 D N -1.243 119.124 120.400 -0.055 0.000 2.349 135 D HA 0.055 4.696 4.640 0.001 0.000 0.224 135 D C 1.349 177.644 176.300 -0.007 0.000 1.029 135 D CA 0.839 54.829 54.000 -0.016 0.000 0.879 135 D CB -0.314 40.497 40.800 0.019 0.000 0.906 135 D HN 0.329 nan 8.370 nan 0.000 0.528 136 G N 0.416 109.219 108.800 0.004 0.000 2.168 136 G HA2 -0.322 3.639 3.960 0.001 0.000 0.263 136 G HA3 -0.322 3.639 3.960 0.001 0.000 0.263 136 G C 0.892 175.850 174.900 0.098 0.000 0.977 136 G CA 0.460 45.587 45.100 0.045 0.000 0.659 136 G HN 0.398 nan 8.290 nan 0.000 0.533 137 E N -1.250 118.982 120.200 0.053 0.000 2.400 137 E HA 0.206 4.557 4.350 0.001 0.000 0.195 137 E C 0.235 176.692 176.600 -0.238 0.000 1.012 137 E CA 0.495 56.870 56.400 -0.041 0.000 0.875 137 E CB 0.330 30.019 29.700 -0.019 0.000 0.859 137 E HN 0.639 nan 8.360 nan 0.000 0.498 138 Y N -0.685 119.602 120.300 -0.022 0.000 2.536 138 Y HA 0.457 5.008 4.550 0.001 0.000 0.347 138 Y C -0.817 175.101 175.900 0.030 0.000 1.000 138 Y CA -1.298 56.796 58.100 -0.011 0.000 1.051 138 Y CB 1.733 40.066 38.460 -0.212 0.000 1.259 138 Y HN -0.208 nan 8.280 nan 0.000 0.468 139 F N 1.788 121.873 119.950 0.225 0.000 2.573 139 F HA 0.822 5.349 4.527 0.001 0.000 0.316 139 F C -1.258 174.725 175.800 0.305 0.000 1.148 139 F CA -0.938 57.075 58.000 0.022 0.000 0.940 139 F CB 0.977 39.885 39.000 -0.154 0.000 1.214 139 F HN 0.526 nan 8.300 nan 0.000 0.448 140 A N 5.437 128.086 122.820 -0.285 0.000 2.337 140 A HA 0.804 5.124 4.320 0.001 0.000 0.329 140 A C -2.011 175.050 177.584 -0.872 0.000 1.146 140 A CA -0.469 51.124 52.037 -0.740 0.000 0.800 140 A CB 0.719 19.266 19.000 -0.755 0.000 1.220 140 A HN 0.989 nan 8.150 nan 0.000 0.472 141 Y N -0.657 119.130 120.300 -0.854 0.000 2.513 141 Y HA 0.724 5.274 4.550 0.001 0.000 0.340 141 Y C 0.037 175.764 175.900 -0.288 0.000 1.055 141 Y CA -1.104 56.686 58.100 -0.517 0.000 1.020 141 Y CB 0.819 39.022 38.460 -0.428 0.000 1.301 141 Y HN 0.836 nan 8.280 nan 0.000 0.453 142 G N 3.243 111.999 108.800 -0.073 0.000 2.367 142 G HA2 0.610 4.571 3.960 0.001 0.000 0.314 142 G HA3 0.610 4.571 3.960 0.001 0.000 0.314 142 G C -1.501 173.423 174.900 0.039 0.000 1.130 142 G CA -0.983 44.066 45.100 -0.086 0.000 0.864 142 G HN 0.737 nan 8.290 nan 0.000 0.486 143 L N 1.363 122.582 121.223 -0.006 0.000 2.362 143 L HA 0.493 4.833 4.340 0.001 0.000 0.275 143 L C -0.019 176.879 176.870 0.047 0.000 0.998 143 L CA -0.653 54.223 54.840 0.060 0.000 0.820 143 L CB 2.322 44.419 42.059 0.062 0.000 1.270 143 L HN 0.408 nan 8.230 nan 0.000 0.415 144 S N 1.619 117.356 115.700 0.062 0.000 2.482 144 S HA 0.771 5.241 4.470 0.001 0.000 0.303 144 S C -0.314 174.316 174.600 0.051 0.000 1.091 144 S CA -0.594 57.646 58.200 0.066 0.000 1.057 144 S CB 1.952 65.191 63.200 0.065 0.000 1.031 144 S HN 0.657 nan 8.310 nan 0.000 0.485 145 A N 1.619 124.469 122.820 0.049 0.000 2.305 145 A HA 0.729 5.049 4.320 0.001 0.000 0.322 145 A C 0.680 178.241 177.584 -0.038 0.000 1.187 145 A CA -0.539 51.503 52.037 0.007 0.000 0.825 145 A CB 0.206 19.208 19.000 0.004 0.000 1.164 145 A HN 1.164 nan 8.150 nan 0.000 0.498 146 S N 0.616 116.255 115.700 -0.101 0.000 3.561 146 S HA -0.167 4.303 4.470 0.001 0.000 0.318 146 S C 1.381 175.914 174.600 -0.111 0.000 1.181 146 S CA 1.827 59.890 58.200 -0.227 0.000 0.916 146 S CB -1.558 61.242 63.200 -0.667 0.000 0.966 146 S HN 2.818 nan 8.310 nan 0.000 0.550 147 G N -0.041 108.757 108.800 -0.004 0.000 2.179 147 G HA2 -0.306 3.654 3.960 0.001 0.000 0.260 147 G HA3 -0.306 3.654 3.960 0.001 0.000 0.260 147 G C 0.131 175.093 174.900 0.104 0.000 0.977 147 G CA 0.792 45.926 45.100 0.058 0.000 0.641 147 G HN 1.524 nan 8.290 nan 0.000 0.533 148 S N -0.135 115.639 115.700 0.124 0.000 2.572 148 S HA 0.367 4.837 4.470 0.001 0.000 0.279 148 S C 1.383 176.019 174.600 0.060 0.000 1.341 148 S CA 0.452 58.743 58.200 0.152 0.000 1.043 148 S CB 0.638 64.000 63.200 0.270 0.000 0.887 148 S HN 0.192 nan 8.310 nan 0.000 0.516 149 D N 2.457 122.818 120.400 -0.064 0.000 2.264 149 D HA -0.023 4.617 4.640 0.001 0.000 0.208 149 D C -0.018 176.118 176.300 -0.273 0.000 0.966 149 D CA 0.468 54.324 54.000 -0.241 0.000 0.864 149 D CB -0.034 40.471 40.800 -0.491 0.000 0.933 149 D HN 0.621 nan 8.370 nan 0.000 0.499 150 W N 0.691 121.927 121.300 -0.108 0.000 2.223 150 W HA 0.149 4.809 4.660 0.001 0.000 0.334 150 W C 0.260 176.747 176.519 -0.054 0.000 1.334 150 W CA -0.366 56.931 57.345 -0.080 0.000 1.246 150 W CB 0.635 30.074 29.460 -0.034 0.000 1.184 150 W HN -0.369 nan 8.180 nan 0.000 0.563 151 V N 3.038 123.106 119.914 0.258 0.000 2.735 151 V HA 0.424 4.544 4.120 0.001 0.000 0.310 151 V C -0.140 176.002 176.094 0.079 0.000 1.061 151 V CA -0.918 61.452 62.300 0.116 0.000 0.913 151 V CB 2.228 34.086 31.823 0.058 0.000 1.005 151 V HN 0.412 nan 8.190 nan 0.000 0.428 152 T N 5.500 120.050 114.554 -0.007 0.000 2.770 152 T HA 0.603 4.953 4.350 0.001 0.000 0.283 152 T C -0.207 174.374 174.700 -0.198 0.000 0.988 152 T CA -0.111 61.937 62.100 -0.086 0.000 0.957 152 T CB 0.672 69.488 68.868 -0.086 0.000 0.930 152 T HN 0.371 nan 8.240 nan 0.000 0.443 153 I N 3.725 124.132 120.570 -0.271 0.000 2.342 153 I HA 0.388 4.558 4.170 0.001 0.000 0.291 153 I C 0.544 176.345 176.117 -0.527 0.000 1.010 153 I CA -0.457 60.565 61.300 -0.463 0.000 1.308 153 I CB 0.881 38.578 38.000 -0.504 0.000 1.400 153 I HN 0.371 nan 8.210 nan 0.000 0.488 154 K N 4.986 124.871 120.400 -0.858 0.000 2.346 154 K HA 0.733 5.053 4.320 0.001 0.000 0.238 154 K C -1.411 174.713 176.600 -0.794 0.000 1.039 154 K CA -0.696 55.184 56.287 -0.678 0.000 0.861 154 K CB 2.109 34.196 32.500 -0.689 0.000 1.278 154 K HN 0.222 nan 8.250 nan 0.000 0.460 155 F N 0.612 120.478 119.950 -0.139 0.000 2.599 155 F HA 0.542 5.069 4.527 0.001 0.000 0.311 155 F C -0.436 175.549 175.800 0.309 0.000 1.076 155 F CA -0.736 57.346 58.000 0.137 0.000 0.937 155 F CB 1.940 41.030 39.000 0.149 0.000 1.282 155 F HN 0.153 nan 8.300 nan 0.000 0.460 156 M N 1.824 121.780 119.600 0.595 0.000 2.484 156 M HA 0.340 4.821 4.480 0.001 0.000 0.289 156 M C -1.020 175.525 176.300 0.409 0.000 1.206 156 M CA -0.815 54.748 55.300 0.439 0.000 0.892 156 M CB 2.946 35.753 32.600 0.345 0.000 1.712 156 M HN 0.470 nan 8.290 nan 0.000 0.462 157 K N 1.462 121.986 120.400 0.207 0.000 2.258 157 K HA 0.356 4.677 4.320 0.001 0.000 0.284 157 K C 0.266 176.871 176.600 0.009 0.000 1.051 157 K CA -0.309 55.894 56.287 -0.141 0.000 0.923 157 K CB 1.270 33.664 32.500 -0.177 0.000 1.046 157 K HN 0.603 nan 8.250 nan 0.000 0.474 158 V N 2.591 122.502 119.914 -0.005 0.000 2.295 158 V HA -0.197 3.924 4.120 0.001 0.000 0.246 158 V C 0.654 176.849 176.094 0.169 0.000 1.049 158 V CA 1.542 63.988 62.300 0.243 0.000 1.024 158 V CB -0.510 31.406 31.823 0.155 0.000 0.648 158 V HN 0.891 nan 8.190 nan 0.000 0.447 159 D N 0.127 120.535 120.400 0.012 0.000 2.389 159 D HA 0.328 4.969 4.640 0.001 0.000 0.263 159 D C 1.119 177.435 176.300 0.025 0.000 1.255 159 D CA 1.160 55.162 54.000 0.004 0.000 0.914 159 D CB 0.097 40.878 40.800 -0.032 0.000 1.116 159 D HN 0.442 nan 8.370 nan 0.000 0.502 160 G N 3.205 112.031 108.800 0.043 0.000 2.179 160 G HA2 -0.159 3.801 3.960 0.001 0.000 0.260 160 G HA3 -0.159 3.801 3.960 0.001 0.000 0.260 160 G C 0.776 175.696 174.900 0.034 0.000 0.977 160 G CA 0.437 45.556 45.100 0.032 0.000 0.641 160 G HN 1.722 nan 8.290 nan 0.000 0.533 161 A N -1.123 121.748 122.820 0.086 0.000 2.560 161 A HA -0.099 4.222 4.320 0.001 0.000 0.299 161 A C 0.768 178.319 177.584 -0.055 0.000 1.484 161 A CA 2.087 54.109 52.037 -0.025 0.000 0.749 161 A CB -1.088 17.799 19.000 -0.188 0.000 1.072 161 A HN 0.930 nan 8.150 nan 0.000 0.426 162 K N 1.295 121.705 120.400 0.016 0.000 2.258 162 K HA 0.253 4.573 4.320 0.001 0.000 0.284 162 K C 0.297 176.943 176.600 0.077 0.000 1.051 162 K CA -0.245 56.064 56.287 0.037 0.000 0.923 162 K CB 0.781 33.313 32.500 0.055 0.000 1.046 162 K HN 0.703 nan 8.250 nan 0.000 0.474 163 E N 3.222 123.462 120.200 0.067 0.000 2.376 163 E HA 0.062 4.412 4.350 0.001 0.000 0.266 163 E C -0.060 176.622 176.600 0.136 0.000 1.009 163 E CA 0.079 56.545 56.400 0.111 0.000 0.902 163 E CB 0.584 30.331 29.700 0.079 0.000 0.972 163 E HN 0.273 nan 8.360 nan 0.000 0.439 164 L N 4.285 125.623 121.223 0.192 0.000 2.352 164 L HA 0.288 4.628 4.340 0.001 0.000 0.269 164 L C -1.441 175.506 176.870 0.128 0.000 1.034 164 L CA -1.911 53.036 54.840 0.178 0.000 0.806 164 L CB 0.831 43.044 42.059 0.257 0.000 1.244 164 L HN 0.405 nan 8.230 nan 0.000 0.447 165 P HA 0.011 nan 4.420 nan 0.000 0.231 165 P C -0.523 176.788 177.300 0.019 0.000 1.168 165 P CA 0.257 63.381 63.100 0.040 0.000 0.779 165 P CB -0.040 31.672 31.700 0.020 0.000 0.844 166 D N -0.007 120.398 120.400 0.007 0.000 2.450 166 D HA 0.199 4.839 4.640 0.001 0.000 0.247 166 D C -0.231 176.070 176.300 0.001 0.000 1.162 166 D CA 0.564 54.518 54.000 -0.077 0.000 0.879 166 D CB 0.441 41.026 40.800 -0.359 0.000 1.163 166 D HN -0.133 nan 8.370 nan 0.000 0.472 167 V N 3.529 123.375 119.914 -0.113 0.000 2.623 167 V HA 0.328 4.449 4.120 0.001 0.000 0.304 167 V C -0.471 175.488 176.094 -0.225 0.000 1.054 167 V CA -0.826 61.401 62.300 -0.122 0.000 0.882 167 V CB 1.630 33.396 31.823 -0.094 0.000 1.002 167 V HN 0.381 nan 8.190 nan 0.000 0.424 168 L N 4.491 125.556 121.223 -0.262 0.000 2.333 168 L HA 0.695 5.035 4.340 0.001 0.000 0.280 168 L C -0.188 176.570 176.870 -0.188 0.000 1.004 168 L CA -0.522 54.119 54.840 -0.332 0.000 0.820 168 L CB 1.814 43.499 42.059 -0.622 0.000 1.247 168 L HN 0.536 nan 8.230 nan 0.000 0.416 169 E N 2.819 122.953 120.200 -0.109 0.000 2.249 169 E HA 0.478 4.828 4.350 0.001 0.000 0.263 169 E C -0.214 176.415 176.600 0.048 0.000 0.950 169 E CA -0.811 55.559 56.400 -0.048 0.000 0.827 169 E CB 1.870 31.521 29.700 -0.081 0.000 1.220 169 E HN 0.401 nan 8.360 nan 0.000 0.411 170 R N -1.070 119.466 120.500 0.060 0.000 3.776 170 R HA -0.115 4.225 4.340 0.001 0.000 0.312 170 R C -0.520 176.090 176.300 0.515 0.000 1.181 170 R CA 0.164 56.383 56.100 0.199 0.000 0.836 170 R CB -2.226 28.162 30.300 0.146 0.000 1.324 170 R HN 0.205 nan 8.270 nan 0.000 0.501 171 V N 1.399 121.570 119.914 0.429 0.000 2.461 171 V HA 0.401 4.522 4.120 0.001 0.000 0.275 171 V C 0.524 176.835 176.094 0.362 0.000 1.047 171 V CA 0.116 62.650 62.300 0.390 0.000 0.955 171 V CB 1.674 33.636 31.823 0.231 0.000 0.988 171 V HN 0.143 nan 8.190 nan 0.000 0.471 172 K N 3.935 124.492 120.400 0.262 0.000 2.557 172 K HA 0.418 4.738 4.320 0.001 0.000 0.261 172 K C -1.033 175.573 176.600 0.010 0.000 0.932 172 K CA -0.784 55.430 56.287 -0.120 0.000 0.829 172 K CB 1.304 33.456 32.500 -0.580 0.000 1.358 172 K HN 0.333 nan 8.250 nan 0.000 0.430 173 F N -0.256 119.761 119.950 0.113 0.000 3.004 173 F HA -0.223 4.305 4.527 0.001 0.000 0.264 173 F C 0.174 176.037 175.800 0.105 0.000 0.979 173 F CA 0.807 58.866 58.000 0.100 0.000 0.896 173 F CB -1.914 37.154 39.000 0.114 0.000 0.813 173 F HN 0.316 nan 8.300 nan 0.000 0.804 174 S N -0.232 115.597 115.700 0.216 0.000 2.549 174 S HA 0.725 5.195 4.470 0.001 0.000 0.297 174 S C 0.380 175.078 174.600 0.163 0.000 1.115 174 S CA -0.361 57.953 58.200 0.190 0.000 1.059 174 S CB 1.012 64.336 63.200 0.207 0.000 1.046 174 S HN 0.633 nan 8.310 nan 0.000 0.506 175 C N 4.002 123.401 119.300 0.164 0.000 2.563 175 C HA 0.751 5.212 4.460 0.001 0.000 0.358 175 C C -0.081 175.023 174.990 0.190 0.000 1.336 175 C CA -0.802 58.313 59.018 0.161 0.000 2.454 175 C CB -0.755 27.081 27.740 0.160 0.000 2.448 175 C HN 0.825 nan 8.230 nan 0.000 0.670 176 M N 2.268 121.974 119.600 0.176 0.000 2.182 176 M HA 0.542 5.022 4.480 0.001 0.000 0.266 176 M C -0.672 175.771 176.300 0.239 0.000 0.989 176 M CA -0.048 55.354 55.300 0.170 0.000 1.003 176 M CB 1.897 34.541 32.600 0.073 0.000 1.812 176 M HN 1.012 nan 8.290 nan 0.000 0.472 177 A N 3.005 126.012 122.820 0.312 0.000 2.446 177 A HA 0.706 5.026 4.320 0.001 0.000 0.282 177 A C -2.025 175.854 177.584 0.492 0.000 1.102 177 A CA -0.478 51.823 52.037 0.441 0.000 0.737 177 A CB 0.736 20.012 19.000 0.461 0.000 1.212 177 A HN 0.860 nan 8.150 nan 0.000 0.434 178 W N 2.304 123.831 121.300 0.380 0.000 2.238 178 W HA 0.443 5.103 4.660 0.001 0.000 0.321 178 W C 1.144 177.922 176.519 0.431 0.000 1.293 178 W CA 0.505 58.058 57.345 0.347 0.000 1.204 178 W CB 1.102 30.732 29.460 0.283 0.000 1.167 178 W HN 0.746 nan 8.180 nan 0.000 0.553 179 T N -1.054 113.876 114.554 0.627 0.000 2.926 179 T HA 0.032 4.383 4.350 0.001 0.000 0.307 179 T C 0.782 175.822 174.700 0.567 0.000 1.059 179 T CA -0.213 62.218 62.100 0.552 0.000 1.122 179 T CB 0.633 69.733 68.868 0.385 0.000 0.972 179 T HN 0.581 nan 8.240 nan 0.000 0.545 180 H N 0.616 119.853 119.070 0.278 0.000 2.546 180 H HA -0.047 4.509 4.556 0.001 0.000 0.277 180 H C 1.487 176.919 175.328 0.174 0.000 1.004 180 H CA 0.778 56.957 56.048 0.218 0.000 1.231 180 H CB 0.244 30.113 29.762 0.179 0.000 1.382 180 H HN 0.782 nan 8.280 nan 0.000 0.580 181 D N -0.063 120.510 120.400 0.288 0.000 2.371 181 D HA -0.033 4.607 4.640 0.001 0.000 0.221 181 D C 1.734 178.145 176.300 0.184 0.000 0.986 181 D CA 0.781 54.898 54.000 0.195 0.000 0.899 181 D CB -0.417 40.474 40.800 0.152 0.000 0.902 181 D HN 0.364 nan 8.370 nan 0.000 0.530 182 G N 0.991 109.939 108.800 0.246 0.000 2.166 182 G HA2 -0.437 3.524 3.960 0.001 0.000 0.260 182 G HA3 -0.437 3.524 3.960 0.001 0.000 0.260 182 G C 0.934 175.969 174.900 0.226 0.000 0.986 182 G CA 0.684 45.921 45.100 0.229 0.000 0.683 182 G HN 0.533 nan 8.290 nan 0.000 0.527 183 K N -0.126 120.407 120.400 0.221 0.000 2.155 183 K HA 0.336 4.657 4.320 0.001 0.000 0.203 183 K C 1.425 178.036 176.600 0.018 0.000 1.052 183 K CA 1.496 57.856 56.287 0.123 0.000 0.948 183 K CB -0.075 32.518 32.500 0.154 0.000 0.728 183 K HN 0.922 nan 8.250 nan 0.000 0.448 184 G N -0.272 108.552 108.800 0.040 0.000 2.489 184 G HA2 0.370 4.331 3.960 0.001 0.000 0.305 184 G HA3 0.370 4.331 3.960 0.001 0.000 0.305 184 G C -1.960 172.617 174.900 -0.538 0.000 1.311 184 G CA -0.745 44.046 45.100 -0.515 0.000 0.813 184 G HN 0.074 nan 8.290 nan 0.000 0.480 185 M N 0.119 119.193 119.600 -0.877 0.000 2.378 185 M HA 0.656 5.137 4.480 0.001 0.000 0.289 185 M C -1.553 174.622 176.300 -0.208 0.000 1.136 185 M CA -0.706 54.270 55.300 -0.539 0.000 0.917 185 M CB 1.874 33.932 32.600 -0.903 0.000 1.669 185 M HN 0.368 nan 8.290 nan 0.000 0.461 186 F N 4.325 124.426 119.950 0.252 0.000 2.418 186 F HA 0.511 5.038 4.527 0.001 0.000 0.341 186 F C -0.137 175.861 175.800 0.330 0.000 1.120 186 F CA 0.386 58.592 58.000 0.343 0.000 1.232 186 F CB 0.572 39.764 39.000 0.321 0.000 1.175 186 F HN 0.524 nan 8.300 nan 0.000 0.569 187 Y N -0.688 119.823 120.300 0.352 0.000 2.750 187 Y HA 0.561 5.111 4.550 0.001 0.000 0.335 187 Y C -1.996 174.049 175.900 0.243 0.000 1.252 187 Y CA -2.041 56.193 58.100 0.223 0.000 1.064 187 Y CB 0.790 39.325 38.460 0.125 0.000 1.321 187 Y HN 0.519 nan 8.280 nan 0.000 0.451 188 N N 0.631 119.408 118.700 0.128 0.000 2.370 188 N HA 0.843 5.583 4.740 0.001 0.000 0.303 188 N C -1.413 174.189 175.510 0.154 0.000 1.103 188 N CA -0.566 52.493 53.050 0.014 0.000 0.848 188 N CB 2.212 40.724 38.487 0.041 0.000 1.235 188 N HN 0.961 nan 8.380 nan 0.000 0.496 189 A N 0.982 123.878 122.820 0.127 0.000 2.556 189 A HA 0.646 4.967 4.320 0.001 0.000 0.294 189 A C -1.843 175.831 177.584 0.149 0.000 1.091 189 A CA -0.511 51.693 52.037 0.278 0.000 0.704 189 A CB 0.741 19.970 19.000 0.382 0.000 1.300 189 A HN 0.613 nan 8.150 nan 0.000 0.406 190 Y N 0.688 121.202 120.300 0.355 0.000 2.387 190 Y HA 0.502 5.053 4.550 0.001 0.000 0.330 190 Y C -2.000 174.066 175.900 0.277 0.000 1.133 190 Y CA -1.799 56.502 58.100 0.335 0.000 1.152 190 Y CB 1.210 39.919 38.460 0.415 0.000 1.215 190 Y HN 0.462 nan 8.280 nan 0.000 0.466 191 P HA 0.007 nan 4.420 nan 0.000 0.271 191 P C -0.865 176.561 177.300 0.210 0.000 1.233 191 P CA -0.409 62.842 63.100 0.251 0.000 0.789 191 P CB 0.511 32.331 31.700 0.200 0.000 0.951 192 Q N 1.131 121.003 119.800 0.121 0.000 2.369 192 Q HA -0.021 4.319 4.340 0.001 0.000 0.295 192 Q C 0.227 176.277 176.000 0.083 0.000 1.075 192 Q CA 0.913 56.758 55.803 0.070 0.000 0.941 192 Q CB 0.061 28.818 28.738 0.032 0.000 1.260 192 Q HN 0.518 nan 8.270 nan 0.000 0.417 193 Q N 0.261 120.096 119.800 0.058 0.000 2.421 193 Q HA 0.488 4.828 4.340 0.001 0.000 0.280 193 Q C -1.173 174.845 176.000 0.031 0.000 1.085 193 Q CA -1.022 54.820 55.803 0.065 0.000 0.807 193 Q CB 1.467 30.268 28.738 0.105 0.000 1.405 193 Q HN 0.249 nan 8.270 nan 0.000 0.419 194 D N 0.748 121.168 120.400 0.033 0.000 2.399 194 D HA 0.430 5.070 4.640 0.001 0.000 0.241 194 D C 0.854 177.164 176.300 0.017 0.000 1.133 194 D CA 1.926 55.937 54.000 0.019 0.000 0.890 194 D CB 0.809 41.622 40.800 0.021 0.000 1.201 194 D HN 0.918 nan 8.370 nan 0.000 0.432 195 G N 1.328 110.131 108.800 0.004 0.000 2.584 195 G HA2 -0.228 3.732 3.960 0.001 0.000 0.229 195 G HA3 -0.228 3.732 3.960 0.001 0.000 0.229 195 G C -0.440 174.452 174.900 -0.014 0.000 1.320 195 G CA -0.565 44.536 45.100 0.003 0.000 0.891 195 G HN 0.532 nan 8.290 nan 0.000 0.573 196 K N -0.208 120.187 120.400 -0.009 0.000 2.154 196 K HA 0.569 4.889 4.320 0.001 0.000 0.264 196 K C -0.124 176.449 176.600 -0.044 0.000 1.008 196 K CA 0.104 56.372 56.287 -0.032 0.000 0.937 196 K CB 1.103 33.595 32.500 -0.014 0.000 1.002 196 K HN 0.340 nan 8.250 nan 0.000 0.469 197 S N 2.100 117.698 115.700 -0.170 0.000 2.139 197 S HA 0.047 4.517 4.470 0.001 0.000 0.183 197 S C -0.619 173.694 174.600 -0.478 0.000 1.473 197 S CA -0.610 57.354 58.200 -0.393 0.000 1.263 197 S CB -0.012 62.665 63.200 -0.872 0.000 1.170 197 S HN 0.721 nan 8.310 nan 0.000 0.430 198 D N -0.356 120.028 120.400 -0.027 0.000 2.527 198 D HA 0.265 4.906 4.640 0.001 0.000 0.224 198 D C 1.190 177.699 176.300 0.347 0.000 1.217 198 D CA 0.404 54.471 54.000 0.112 0.000 0.819 198 D CB -0.001 40.848 40.800 0.082 0.000 1.061 198 D HN 0.493 nan 8.370 nan 0.000 0.515 199 G N 0.455 109.489 108.800 0.392 0.000 2.213 199 G HA2 -0.324 3.637 3.960 0.001 0.000 0.226 199 G HA3 -0.324 3.637 3.960 0.001 0.000 0.226 199 G C 1.172 176.104 174.900 0.053 0.000 0.992 199 G CA 0.682 45.955 45.100 0.288 0.000 0.632 199 G HN 0.616 nan 8.290 nan 0.000 0.511 200 T N -0.616 113.892 114.554 -0.077 0.000 3.065 200 T HA 0.355 4.706 4.350 0.001 0.000 0.252 200 T C 0.976 175.649 174.700 -0.045 0.000 1.099 200 T CA 1.066 63.064 62.100 -0.170 0.000 1.063 200 T CB 0.194 68.901 68.868 -0.269 0.000 0.948 200 T HN 0.804 nan 8.240 nan 0.000 0.506 201 E N 2.294 122.513 120.200 0.032 0.000 2.345 201 E HA 0.154 4.504 4.350 0.001 0.000 0.259 201 E C 0.414 177.050 176.600 0.059 0.000 1.117 201 E CA 0.003 56.434 56.400 0.052 0.000 0.913 201 E CB 1.210 30.967 29.700 0.096 0.000 1.057 201 E HN 0.290 nan 8.360 nan 0.000 0.432 202 T N -2.055 112.532 114.554 0.055 0.000 3.044 202 T HA 0.150 4.501 4.350 0.001 0.000 0.260 202 T C 0.179 174.979 174.700 0.168 0.000 1.019 202 T CA -0.428 61.717 62.100 0.076 0.000 0.921 202 T CB -0.139 68.707 68.868 -0.038 0.000 1.053 202 T HN 0.278 nan 8.240 nan 0.000 0.533 203 S N 2.866 118.647 115.700 0.135 0.000 2.563 203 S HA 0.195 4.665 4.470 0.001 0.000 0.294 203 S C 0.547 175.212 174.600 0.107 0.000 1.279 203 S CA -0.157 58.119 58.200 0.126 0.000 1.069 203 S CB 0.671 63.943 63.200 0.121 0.000 0.828 203 S HN 0.569 nan 8.310 nan 0.000 0.497 204 T N 2.903 117.509 114.554 0.086 0.000 2.940 204 T HA 0.072 4.422 4.350 0.001 0.000 0.309 204 T C -0.059 174.686 174.700 0.074 0.000 1.056 204 T CA -0.268 61.876 62.100 0.073 0.000 1.137 204 T CB -0.295 68.600 68.868 0.046 0.000 0.976 204 T HN 0.631 nan 8.240 nan 0.000 0.547 205 N N 4.421 123.162 118.700 0.069 0.000 2.485 205 N HA 0.536 5.276 4.740 0.001 0.000 0.243 205 N C -0.913 174.747 175.510 0.250 0.000 0.987 205 N CA -0.463 52.558 53.050 -0.049 0.000 0.940 205 N CB 0.974 39.196 38.487 -0.442 0.000 1.122 205 N HN 0.430 nan 8.380 nan 0.000 0.509 206 L N 0.952 122.359 121.223 0.307 0.000 2.327 206 L HA 0.493 4.833 4.340 0.001 0.000 0.258 206 L C 0.090 177.215 176.870 0.425 0.000 1.024 206 L CA -0.991 54.002 54.840 0.255 0.000 0.825 206 L CB 1.413 43.480 42.059 0.014 0.000 1.386 206 L HN 0.641 nan 8.230 nan 0.000 0.417 207 H N -0.165 119.052 119.070 0.245 0.000 2.839 207 H HA -0.167 4.389 4.556 0.001 0.000 0.298 207 H C 0.181 175.563 175.328 0.091 0.000 1.224 207 H CA 0.476 56.621 56.048 0.161 0.000 1.144 207 H CB -0.814 29.026 29.762 0.130 0.000 1.372 207 H HN 0.611 nan 8.280 nan 0.000 0.408 208 Q N 1.158 120.981 119.800 0.039 0.000 2.300 208 Q HA 0.157 4.497 4.340 0.001 0.000 0.280 208 Q C -0.069 175.848 176.000 -0.138 0.000 1.033 208 Q CA 0.637 56.207 55.803 -0.389 0.000 0.903 208 Q CB 0.663 29.089 28.738 -0.520 0.000 1.195 208 Q HN 0.335 nan 8.270 nan 0.000 0.386 209 K N 2.767 123.048 120.400 -0.198 0.000 2.281 209 K HA 0.467 4.788 4.320 0.001 0.000 0.242 209 K C -1.226 175.158 176.600 -0.360 0.000 0.971 209 K CA -0.922 55.181 56.287 -0.306 0.000 0.834 209 K CB 1.315 33.563 32.500 -0.420 0.000 1.181 209 K HN 0.433 nan 8.250 nan 0.000 0.435 210 L N 2.387 123.359 121.223 -0.418 0.000 2.272 210 L HA 0.410 4.751 4.340 0.001 0.000 0.289 210 L C -1.641 175.006 176.870 -0.372 0.000 1.032 210 L CA -0.053 54.630 54.840 -0.262 0.000 0.810 210 L CB 0.274 42.283 42.059 -0.083 0.000 1.205 210 L HN 0.456 nan 8.230 nan 0.000 0.422 211 Y N 3.870 124.058 120.300 -0.187 0.000 2.587 211 Y HA 0.477 5.027 4.550 0.001 0.000 0.337 211 Y C -1.120 174.857 175.900 0.127 0.000 1.065 211 Y CA -0.300 57.718 58.100 -0.136 0.000 1.126 211 Y CB 1.660 39.850 38.460 -0.450 0.000 1.279 211 Y HN 0.510 nan 8.280 nan 0.000 0.489 212 Y N 1.441 121.893 120.300 0.255 0.000 2.326 212 Y HA 0.365 4.916 4.550 0.001 0.000 0.331 212 Y C -1.137 174.863 175.900 0.167 0.000 0.962 212 Y CA -1.179 56.959 58.100 0.065 0.000 1.167 212 Y CB 0.504 38.867 38.460 -0.161 0.000 1.148 212 Y HN 0.700 nan 8.280 nan 0.000 0.463 213 H N 4.898 123.784 119.070 -0.308 0.000 2.552 213 H HA 0.548 5.104 4.556 0.001 0.000 0.311 213 H C -1.300 173.621 175.328 -0.679 0.000 1.071 213 H CA -0.516 55.328 56.048 -0.340 0.000 1.307 213 H CB 0.858 30.463 29.762 -0.263 0.000 1.416 213 H HN 0.503 nan 8.280 nan 0.000 0.464 214 V N 7.222 126.570 119.914 -0.942 0.000 2.455 214 V HA 0.001 4.121 4.120 0.001 0.000 0.273 214 V C 0.325 175.830 176.094 -0.982 0.000 1.045 214 V CA -0.629 61.213 62.300 -0.765 0.000 0.976 214 V CB 0.429 32.029 31.823 -0.371 0.000 0.993 214 V HN 0.671 nan 8.190 nan 0.000 0.475 215 L N 5.482 126.297 121.223 -0.680 0.000 2.540 215 L HA 0.478 4.818 4.340 0.001 0.000 0.276 215 L C 1.183 177.833 176.870 -0.366 0.000 1.212 215 L CA 1.946 56.468 54.840 -0.530 0.000 0.893 215 L CB 0.296 42.177 42.059 -0.295 0.000 1.138 215 L HN 0.973 nan 8.230 nan 0.000 0.491 216 G N 1.603 110.235 108.800 -0.281 0.000 2.159 216 G HA2 -0.225 3.736 3.960 0.001 0.000 0.227 216 G HA3 -0.225 3.736 3.960 0.001 0.000 0.227 216 G C 0.224 175.039 174.900 -0.142 0.000 0.986 216 G CA 0.268 45.272 45.100 -0.159 0.000 0.651 216 G HN 1.038 nan 8.290 nan 0.000 0.523 217 T N -1.916 112.519 114.554 -0.199 0.000 2.927 217 T HA 0.660 5.011 4.350 0.001 0.000 0.286 217 T C -0.728 173.982 174.700 0.015 0.000 1.040 217 T CA -0.508 61.521 62.100 -0.118 0.000 1.010 217 T CB 2.461 71.220 68.868 -0.182 0.000 1.177 217 T HN -0.039 nan 8.240 nan 0.000 0.546 218 D N 0.914 121.321 120.400 0.011 0.000 2.341 218 D HA 0.124 4.764 4.640 0.001 0.000 0.245 218 D C 1.204 177.541 176.300 0.061 0.000 1.106 218 D CA -0.205 53.810 54.000 0.025 0.000 0.905 218 D CB 1.473 42.269 40.800 -0.007 0.000 1.202 218 D HN 0.792 nan 8.370 nan 0.000 0.426 219 Q N 1.334 121.138 119.800 0.007 0.000 2.197 219 Q HA -0.212 4.129 4.340 0.001 0.000 0.207 219 Q C 1.536 177.525 176.000 -0.019 0.000 0.984 219 Q CA 1.790 57.581 55.803 -0.021 0.000 0.869 219 Q CB 0.097 28.760 28.738 -0.125 0.000 0.906 219 Q HN 0.530 nan 8.270 nan 0.000 0.426 220 S N -0.368 115.316 115.700 -0.027 0.000 2.469 220 S HA -0.150 4.321 4.470 0.001 0.000 0.238 220 S C 1.221 175.818 174.600 -0.006 0.000 0.998 220 S CA 1.227 59.409 58.200 -0.029 0.000 0.957 220 S CB -0.148 63.039 63.200 -0.022 0.000 0.764 220 S HN 0.482 nan 8.310 nan 0.000 0.514 221 E N 1.123 121.329 120.200 0.010 0.000 2.481 221 E HA 0.068 4.418 4.350 0.001 0.000 0.195 221 E C -0.480 176.149 176.600 0.048 0.000 1.047 221 E CA -0.028 56.383 56.400 0.018 0.000 0.867 221 E CB -0.070 29.626 29.700 -0.006 0.000 0.858 221 E HN 0.530 nan 8.360 nan 0.000 0.513 222 D N 1.016 121.458 120.400 0.071 0.000 2.472 222 D HA -0.016 4.624 4.640 0.001 0.000 0.237 222 D C 0.059 176.494 176.300 0.225 0.000 1.141 222 D CA 0.371 54.459 54.000 0.148 0.000 0.875 222 D CB 0.665 41.566 40.800 0.168 0.000 1.192 222 D HN -0.074 nan 8.370 nan 0.000 0.450 223 I N 2.274 123.018 120.570 0.291 0.000 2.371 223 I HA 0.073 4.244 4.170 0.001 0.000 0.290 223 I C 0.368 176.702 176.117 0.361 0.000 1.028 223 I CA -0.772 60.697 61.300 0.282 0.000 1.345 223 I CB 0.395 38.538 38.000 0.238 0.000 1.407 223 I HN 0.224 nan 8.210 nan 0.000 0.501 224 L N 7.085 128.463 121.223 0.258 0.000 2.315 224 L HA 0.201 4.542 4.340 0.001 0.000 0.283 224 L C 0.452 177.343 176.870 0.035 0.000 1.089 224 L CA 0.586 55.438 54.840 0.020 0.000 0.833 224 L CB 0.790 42.839 42.059 -0.017 0.000 1.170 224 L HN 0.752 nan 8.230 nan 0.000 0.442 225 C N 3.798 123.124 119.300 0.042 0.000 2.820 225 C HA 0.743 5.203 4.460 0.001 0.000 0.323 225 C C 0.802 175.975 174.990 0.304 0.000 1.279 225 C CA 0.136 59.278 59.018 0.206 0.000 1.790 225 C CB -0.591 27.382 27.740 0.389 0.000 2.328 225 C HN 0.908 nan 8.230 nan 0.000 0.579 226 A N 1.073 123.921 122.820 0.047 0.000 2.547 226 A HA 0.688 5.008 4.320 0.001 0.000 0.297 226 A C -1.155 176.105 177.584 -0.540 0.000 1.056 226 A CA -0.364 51.588 52.037 -0.142 0.000 0.688 226 A CB 1.028 19.904 19.000 -0.206 0.000 1.282 226 A HN 0.493 nan 8.150 nan 0.000 0.400 227 E N 0.102 119.855 120.200 -0.745 0.000 2.412 227 E HA 0.740 5.090 4.350 0.001 0.000 0.279 227 E C -1.818 174.216 176.600 -0.943 0.000 0.984 227 E CA -0.859 55.046 56.400 -0.826 0.000 0.788 227 E CB 1.436 30.930 29.700 -0.344 0.000 1.277 227 E HN 0.425 nan 8.360 nan 0.000 0.455 228 F N 0.697 120.664 119.950 0.029 0.000 2.564 228 F HA 0.341 4.868 4.527 0.001 0.000 0.329 228 F C -1.979 173.790 175.800 -0.051 0.000 1.458 228 F CA -1.989 55.990 58.000 -0.035 0.000 1.117 228 F CB 1.280 40.255 39.000 -0.040 0.000 1.383 228 F HN 0.342 nan 8.300 nan 0.000 0.571 229 P HA -0.136 nan 4.420 nan 0.000 0.220 229 P C 0.603 177.977 177.300 0.123 0.000 1.148 229 P CA 1.396 64.609 63.100 0.188 0.000 0.803 229 P CB 0.445 32.183 31.700 0.064 0.000 0.782 230 D N -0.355 120.036 120.400 -0.016 0.000 2.355 230 D HA -0.006 4.634 4.640 0.001 0.000 0.218 230 D C 0.453 176.615 176.300 -0.229 0.000 1.004 230 D CA 0.871 54.815 54.000 -0.094 0.000 0.880 230 D CB 0.119 40.853 40.800 -0.110 0.000 0.911 230 D HN 0.225 nan 8.370 nan 0.000 0.528 231 E N 0.162 120.152 120.200 -0.349 0.000 3.386 231 E HA 0.162 4.513 4.350 0.001 0.000 0.236 231 E C -2.024 174.339 176.600 -0.394 0.000 1.227 231 E CA -1.492 54.540 56.400 -0.613 0.000 0.970 231 E CB 1.792 30.484 29.700 -1.680 0.000 1.343 231 E HN 0.009 nan 8.360 nan 0.000 0.397 232 P HA -0.099 nan 4.420 nan 0.000 0.225 232 P C 0.885 178.013 177.300 -0.287 0.000 1.148 232 P CA 1.064 63.815 63.100 -0.581 0.000 0.779 232 P CB 0.351 31.614 31.700 -0.728 0.000 0.780 233 K N -2.741 117.564 120.400 -0.160 0.000 2.393 233 K HA 0.004 4.325 4.320 0.001 0.000 0.193 233 K C 0.186 176.920 176.600 0.224 0.000 1.026 233 K CA -0.050 56.215 56.287 -0.037 0.000 1.064 233 K CB -0.007 32.435 32.500 -0.097 0.000 0.833 233 K HN 0.138 nan 8.250 nan 0.000 0.521 234 W N 1.769 123.020 121.300 -0.082 0.000 2.181 234 W HA 0.187 4.848 4.660 0.001 0.000 0.335 234 W C 0.166 176.639 176.519 -0.077 0.000 1.310 234 W CA -0.281 56.961 57.345 -0.171 0.000 1.226 234 W CB 0.010 29.211 29.460 -0.431 0.000 1.155 234 W HN -0.088 nan 8.180 nan 0.000 0.565 235 M N 2.985 122.610 119.600 0.041 0.000 2.204 235 M HA 0.405 4.886 4.480 0.001 0.000 0.293 235 M C 0.354 176.636 176.300 -0.030 0.000 0.994 235 M CA -0.387 54.955 55.300 0.071 0.000 0.925 235 M CB 1.982 34.621 32.600 0.065 0.000 1.577 235 M HN 0.503 nan 8.290 nan 0.000 0.439 236 G N 1.792 110.655 108.800 0.105 0.000 2.522 236 G HA2 0.626 4.586 3.960 0.001 0.000 0.318 236 G HA3 0.626 4.586 3.960 0.001 0.000 0.318 236 G C -0.276 174.614 174.900 -0.017 0.000 1.192 236 G CA -0.527 44.572 45.100 -0.001 0.000 0.988 236 G HN 0.836 nan 8.290 nan 0.000 0.480 237 G N 0.598 109.370 108.800 -0.046 0.000 2.348 237 G HA2 0.681 4.642 3.960 0.001 0.000 0.312 237 G HA3 0.681 4.642 3.960 0.001 0.000 0.312 237 G C -0.048 174.842 174.900 -0.016 0.000 1.126 237 G CA -0.022 45.081 45.100 0.004 0.000 0.865 237 G HN 0.966 nan 8.290 nan 0.000 0.474 238 A N 2.164 124.988 122.820 0.008 0.000 2.312 238 A HA 0.842 5.162 4.320 0.001 0.000 0.328 238 A C 0.042 177.674 177.584 0.081 0.000 1.158 238 A CA -0.688 51.329 52.037 -0.033 0.000 0.821 238 A CB 1.002 19.826 19.000 -0.294 0.000 1.170 238 A HN 0.864 nan 8.150 nan 0.000 0.490 239 E N 1.760 122.019 120.200 0.099 0.000 2.383 239 E HA 0.554 4.905 4.350 0.001 0.000 0.275 239 E C -1.699 175.005 176.600 0.173 0.000 0.918 239 E CA -0.922 55.585 56.400 0.179 0.000 0.764 239 E CB 1.112 30.922 29.700 0.183 0.000 1.252 239 E HN 0.352 nan 8.360 nan 0.000 0.449 240 L N 2.551 123.924 121.223 0.251 0.000 2.312 240 L HA 0.259 4.599 4.340 0.001 0.000 0.281 240 L C 0.688 177.621 176.870 0.105 0.000 1.070 240 L CA -0.223 54.742 54.840 0.209 0.000 0.805 240 L CB 1.273 43.509 42.059 0.296 0.000 1.174 240 L HN 0.876 nan 8.230 nan 0.000 0.434 241 S N 1.362 117.068 115.700 0.011 0.000 2.569 241 S HA -0.011 4.459 4.470 0.001 0.000 0.274 241 S C 0.803 175.489 174.600 0.143 0.000 1.353 241 S CA -0.505 57.669 58.200 -0.043 0.000 1.023 241 S CB 0.675 63.947 63.200 0.120 0.000 0.876 241 S HN 0.559 nan 8.310 nan 0.000 0.540 242 D N 1.317 121.892 120.400 0.291 0.000 2.221 242 D HA -0.102 4.539 4.640 0.001 0.000 0.204 242 D C 1.230 177.681 176.300 0.252 0.000 0.982 242 D CA 1.634 55.812 54.000 0.296 0.000 0.857 242 D CB -0.427 40.504 40.800 0.217 0.000 0.934 242 D HN 0.895 nan 8.370 nan 0.000 0.475 243 D N -1.203 119.276 120.400 0.132 0.000 2.340 243 D HA 0.117 4.758 4.640 0.001 0.000 0.220 243 D C 1.575 177.867 176.300 -0.014 0.000 1.039 243 D CA 0.700 54.759 54.000 0.098 0.000 0.866 243 D CB -0.231 40.611 40.800 0.070 0.000 0.913 243 D HN 0.165 nan 8.370 nan 0.000 0.523 244 G N 0.997 109.605 108.800 -0.319 0.000 2.189 244 G HA2 -0.461 3.499 3.960 0.001 0.000 0.267 244 G HA3 -0.461 3.499 3.960 0.001 0.000 0.267 244 G C 1.256 176.028 174.900 -0.213 0.000 0.975 244 G CA 0.677 45.334 45.100 -0.739 0.000 0.644 244 G HN 0.516 nan 8.290 nan 0.000 0.537 245 R N -0.459 119.996 120.500 -0.074 0.000 2.093 245 R HA 0.241 4.582 4.340 0.001 0.000 0.224 245 R C 0.396 176.578 176.300 -0.198 0.000 1.101 245 R CA 1.078 57.090 56.100 -0.146 0.000 0.979 245 R CB -0.112 30.066 30.300 -0.203 0.000 0.877 245 R HN 0.452 nan 8.270 nan 0.000 0.441 246 Y N -0.802 119.560 120.300 0.102 0.000 2.393 246 Y HA 0.418 4.968 4.550 0.001 0.000 0.341 246 Y C -0.530 175.453 175.900 0.138 0.000 0.988 246 Y CA -1.405 56.797 58.100 0.171 0.000 1.078 246 Y CB 2.040 40.675 38.460 0.291 0.000 1.203 246 Y HN -0.349 nan 8.280 nan 0.000 0.453 247 V N 5.050 125.141 119.914 0.295 0.000 2.461 247 V HA 0.257 4.377 4.120 0.001 0.000 0.275 247 V C -0.106 176.197 176.094 0.349 0.000 1.047 247 V CA -0.657 61.779 62.300 0.227 0.000 0.955 247 V CB 0.533 32.394 31.823 0.064 0.000 0.988 247 V HN 0.550 nan 8.190 nan 0.000 0.471 248 L N 5.773 127.144 121.223 0.246 0.000 2.282 248 L HA 0.537 4.877 4.340 0.001 0.000 0.288 248 L C -0.540 176.428 176.870 0.163 0.000 1.033 248 L CA -0.580 54.412 54.840 0.254 0.000 0.807 248 L CB 1.542 43.702 42.059 0.167 0.000 1.209 248 L HN 0.455 nan 8.230 nan 0.000 0.423 249 L N 2.813 124.096 121.223 0.100 0.000 2.280 249 L HA 0.401 4.741 4.340 0.001 0.000 0.287 249 L C -0.197 176.535 176.870 -0.231 0.000 1.023 249 L CA 0.365 55.092 54.840 -0.189 0.000 0.819 249 L CB 1.504 43.157 42.059 -0.678 0.000 1.212 249 L HN 0.491 nan 8.230 nan 0.000 0.420 250 S N 6.428 122.028 115.700 -0.166 0.000 2.420 250 S HA 0.569 5.039 4.470 0.001 0.000 0.313 250 S C -0.138 174.304 174.600 -0.264 0.000 1.079 250 S CA -0.365 57.740 58.200 -0.159 0.000 1.104 250 S CB 0.190 63.379 63.200 -0.018 0.000 0.969 250 S HN 0.456 nan 8.310 nan 0.000 0.471 251 I N 4.047 124.362 120.570 -0.424 0.000 2.331 251 I HA 0.439 4.609 4.170 0.001 0.000 0.292 251 I C 0.481 176.420 176.117 -0.296 0.000 0.998 251 I CA -0.456 60.532 61.300 -0.519 0.000 1.267 251 I CB 0.950 38.358 38.000 -0.986 0.000 1.386 251 I HN 0.316 nan 8.210 nan 0.000 0.476 252 R N 4.516 124.836 120.500 -0.299 0.000 2.778 252 R HA 0.577 4.917 4.340 0.001 0.000 0.277 252 R C -0.816 175.185 176.300 -0.497 0.000 0.977 252 R CA -0.878 55.024 56.100 -0.330 0.000 0.950 252 R CB 2.556 32.738 30.300 -0.196 0.000 1.165 252 R HN 0.571 nan 8.270 nan 0.000 0.474 253 E N 1.180 120.931 120.200 -0.748 0.000 2.343 253 E HA 0.372 4.723 4.350 0.001 0.000 0.260 253 E C -0.581 175.803 176.600 -0.361 0.000 0.908 253 E CA -0.182 55.907 56.400 -0.517 0.000 0.814 253 E CB 1.198 30.501 29.700 -0.661 0.000 1.302 253 E HN 0.830 nan 8.360 nan 0.000 0.408 254 G N 1.813 110.536 108.800 -0.128 0.000 2.660 254 G HA2 -0.252 3.708 3.960 0.001 0.000 0.215 254 G HA3 -0.252 3.708 3.960 0.001 0.000 0.215 254 G C 0.319 175.201 174.900 -0.031 0.000 1.345 254 G CA -0.255 44.822 45.100 -0.039 0.000 0.877 254 G HN 0.612 nan 8.290 nan 0.000 0.549 255 C N 0.696 120.036 119.300 0.066 0.000 3.183 255 C HA 0.373 4.834 4.460 0.001 0.000 0.285 255 C C 0.610 175.656 174.990 0.093 0.000 1.313 255 C CA -0.402 58.690 59.018 0.123 0.000 1.711 255 C CB -0.963 26.992 27.740 0.359 0.000 2.135 255 C HN 0.629 nan 8.230 nan 0.000 0.651 256 D N 3.108 123.537 120.400 0.048 0.000 2.399 256 D HA 0.105 4.746 4.640 0.001 0.000 0.241 256 D C -1.974 174.349 176.300 0.038 0.000 1.133 256 D CA -0.902 53.142 54.000 0.074 0.000 0.890 256 D CB 0.583 41.407 40.800 0.040 0.000 1.201 256 D HN 0.172 nan 8.370 nan 0.000 0.432 257 P HA 0.040 nan 4.420 nan 0.000 0.237 257 P C -0.663 176.666 177.300 0.048 0.000 1.788 257 P CA -0.112 63.033 63.100 0.074 0.000 1.061 257 P CB -0.201 31.592 31.700 0.155 0.000 1.967 258 V N -0.132 119.797 119.914 0.025 0.000 3.114 258 V HA 0.793 4.913 4.120 0.001 0.000 0.308 258 V C -1.211 174.925 176.094 0.069 0.000 1.168 258 V CA -1.058 61.268 62.300 0.044 0.000 1.015 258 V CB 2.948 34.815 31.823 0.073 0.000 1.050 258 V HN 0.477 nan 8.190 nan 0.000 0.433 259 N N 0.863 119.648 118.700 0.141 0.000 2.636 259 N HA 0.388 5.128 4.740 0.001 0.000 0.261 259 N C -1.208 174.334 175.510 0.054 0.000 1.195 259 N CA -0.883 52.238 53.050 0.119 0.000 0.902 259 N CB 2.240 40.744 38.487 0.028 0.000 1.627 259 N HN 0.827 nan 8.380 nan 0.000 0.491 260 R N 0.167 120.558 120.500 -0.182 0.000 2.679 260 R HA 0.355 4.696 4.340 0.001 0.000 0.269 260 R C -0.524 175.593 176.300 -0.304 0.000 1.076 260 R CA -0.473 55.401 56.100 -0.376 0.000 1.160 260 R CB 0.574 30.440 30.300 -0.724 0.000 1.054 260 R HN 0.456 nan 8.270 nan 0.000 0.507 261 L N 3.438 124.533 121.223 -0.213 0.000 2.446 261 L HA 0.384 4.725 4.340 0.001 0.000 0.268 261 L C -1.782 175.150 176.870 0.103 0.000 0.975 261 L CA -0.349 54.415 54.840 -0.127 0.000 0.848 261 L CB 1.182 43.114 42.059 -0.210 0.000 1.225 261 L HN 0.650 nan 8.230 nan 0.000 0.410 262 W N 4.889 126.098 121.300 -0.151 0.000 2.639 262 W HA 0.584 5.244 4.660 0.001 0.000 0.347 262 W C -0.231 176.356 176.519 0.113 0.000 1.067 262 W CA -1.002 56.278 57.345 -0.109 0.000 1.218 262 W CB 0.998 30.353 29.460 -0.176 0.000 1.393 262 W HN 0.476 nan 8.180 nan 0.000 0.557 263 Y N -0.735 119.751 120.300 0.309 0.000 2.605 263 Y HA 0.724 5.275 4.550 0.001 0.000 0.343 263 Y C -0.993 175.112 175.900 0.341 0.000 1.036 263 Y CA -2.120 56.158 58.100 0.297 0.000 1.065 263 Y CB 1.576 40.011 38.460 -0.042 0.000 1.288 263 Y HN 0.476 nan 8.280 nan 0.000 0.481 264 C N 3.360 122.942 119.300 0.469 0.000 2.522 264 C HA 0.372 4.833 4.460 0.001 0.000 0.344 264 C C -0.993 174.148 174.990 0.253 0.000 1.104 264 C CA -0.651 58.434 59.018 0.112 0.000 1.317 264 C CB -0.237 27.235 27.740 -0.446 0.000 1.896 264 C HN 0.921 nan 8.230 nan 0.000 0.443 265 D N 4.460 125.005 120.400 0.241 0.000 2.342 265 D HA 0.097 4.738 4.640 0.001 0.000 0.260 265 D C 1.133 177.368 176.300 -0.110 0.000 1.278 265 D CA 0.128 54.074 54.000 -0.090 0.000 0.910 265 D CB 0.664 41.418 40.800 -0.078 0.000 1.079 265 D HN 0.714 nan 8.370 nan 0.000 0.496 266 L N 2.893 124.041 121.223 -0.124 0.000 2.191 266 L HA -0.188 4.152 4.340 0.001 0.000 0.212 266 L C 2.101 178.919 176.870 -0.087 0.000 1.103 266 L CA 0.762 55.548 54.840 -0.090 0.000 0.769 266 L CB -0.150 41.882 42.059 -0.046 0.000 0.908 266 L HN 0.397 nan 8.230 nan 0.000 0.438 267 Q N -0.399 119.342 119.800 -0.098 0.000 2.364 267 Q HA -0.132 4.208 4.340 0.001 0.000 0.207 267 Q C 1.910 177.876 176.000 -0.057 0.000 0.970 267 Q CA 0.909 56.670 55.803 -0.069 0.000 0.888 267 Q CB -0.130 28.566 28.738 -0.069 0.000 0.951 267 Q HN 0.494 nan 8.270 nan 0.000 0.469 268 Q N 0.240 120.003 119.800 -0.063 0.000 2.403 268 Q HA 0.033 4.373 4.340 0.001 0.000 0.203 268 Q C -0.110 175.851 176.000 -0.064 0.000 0.932 268 Q CA 0.187 55.962 55.803 -0.048 0.000 0.945 268 Q CB 0.497 29.218 28.738 -0.028 0.000 1.045 268 Q HN 0.342 nan 8.270 nan 0.000 0.511 269 E N 0.368 120.519 120.200 -0.081 0.000 2.392 269 E HA 0.049 4.399 4.350 0.001 0.000 0.264 269 E C 0.769 177.331 176.600 -0.063 0.000 1.024 269 E CA 0.049 56.395 56.400 -0.089 0.000 0.903 269 E CB 1.145 30.780 29.700 -0.107 0.000 0.963 269 E HN -0.031 nan 8.360 nan 0.000 0.432 270 S N 2.191 117.857 115.700 -0.058 0.000 2.402 270 S HA -0.155 4.315 4.470 0.001 0.000 0.229 270 S C 1.044 175.624 174.600 -0.034 0.000 1.021 270 S CA 1.135 59.310 58.200 -0.041 0.000 0.974 270 S CB 0.026 63.203 63.200 -0.038 0.000 0.800 270 S HN 0.445 nan 8.310 nan 0.000 0.484 271 N N -0.292 118.385 118.700 -0.038 0.000 2.581 271 N HA 0.315 5.055 4.740 0.001 0.000 0.274 271 N C -0.016 175.473 175.510 -0.036 0.000 1.629 271 N CA 0.697 53.729 53.050 -0.030 0.000 0.884 271 N CB 0.146 38.620 38.487 -0.022 0.000 1.423 271 N HN 0.307 nan 8.380 nan 0.000 0.507 272 G N 0.716 109.487 108.800 -0.049 0.000 2.645 272 G HA2 -0.270 3.690 3.960 0.001 0.000 0.239 272 G HA3 -0.270 3.690 3.960 0.001 0.000 0.239 272 G C -0.311 174.531 174.900 -0.096 0.000 1.331 272 G CA -0.206 44.855 45.100 -0.066 0.000 0.890 272 G HN 0.285 nan 8.290 nan 0.000 0.572 273 I N 2.070 122.553 120.570 -0.145 0.000 2.347 273 I HA 0.345 4.516 4.170 0.001 0.000 0.294 273 I C 1.567 177.639 176.117 -0.075 0.000 1.090 273 I CA 0.752 61.940 61.300 -0.187 0.000 1.314 273 I CB 0.845 38.547 38.000 -0.497 0.000 1.423 273 I HN 0.795 nan 8.210 nan 0.000 0.503 274 T N 0.468 114.997 114.554 -0.042 0.000 3.016 274 T HA 0.492 4.843 4.350 0.001 0.000 0.271 274 T C 0.512 175.222 174.700 0.016 0.000 0.968 274 T CA 0.118 62.217 62.100 -0.002 0.000 0.891 274 T CB 0.821 69.683 68.868 -0.010 0.000 1.149 274 T HN 0.662 nan 8.240 nan 0.000 0.524 275 G N 1.281 110.086 108.800 0.008 0.000 2.450 275 G HA2 0.459 4.419 3.960 0.001 0.000 0.273 275 G HA3 0.459 4.419 3.960 0.001 0.000 0.273 275 G C -1.641 173.272 174.900 0.022 0.000 1.221 275 G CA -0.954 44.161 45.100 0.026 0.000 0.900 275 G HN 0.196 nan 8.290 nan 0.000 0.483 276 I N 2.282 122.870 120.570 0.031 0.000 2.742 276 I HA 0.101 4.272 4.170 0.001 0.000 0.287 276 I C 0.971 177.061 176.117 -0.044 0.000 1.186 276 I CA 0.320 61.659 61.300 0.064 0.000 1.417 276 I CB -0.365 37.688 38.000 0.089 0.000 1.377 276 I HN 0.244 nan 8.210 nan 0.000 0.556 277 L N 6.939 128.052 121.223 -0.184 0.000 2.476 277 L HA 0.107 4.447 4.340 0.001 0.000 0.264 277 L C 1.028 177.540 176.870 -0.597 0.000 1.224 277 L CA -0.408 54.090 54.840 -0.571 0.000 0.821 277 L CB 0.009 41.413 42.059 -1.093 0.000 1.101 277 L HN 0.478 nan 8.230 nan 0.000 0.488 278 K N 1.924 122.041 120.400 -0.472 0.000 2.449 278 K HA 0.064 4.384 4.320 0.001 0.000 0.237 278 K C -0.980 175.429 176.600 -0.319 0.000 1.265 278 K CA -0.044 56.063 56.287 -0.301 0.000 1.193 278 K CB -0.264 32.115 32.500 -0.201 0.000 1.515 278 K HN 0.284 nan 8.250 nan 0.000 0.259 279 W N 1.248 122.477 121.300 -0.118 0.000 2.264 279 W HA 0.045 4.705 4.660 0.001 0.000 0.331 279 W C 0.185 176.462 176.519 -0.405 0.000 1.364 279 W CA -0.801 56.434 57.345 -0.184 0.000 1.253 279 W CB 0.430 29.851 29.460 -0.066 0.000 1.215 279 W HN -0.008 nan 8.180 nan 0.000 0.561 280 V N 4.600 124.321 119.914 -0.322 0.000 2.370 280 V HA 0.187 4.307 4.120 0.001 0.000 0.283 280 V C 0.115 175.837 176.094 -0.621 0.000 1.023 280 V CA -1.474 60.455 62.300 -0.618 0.000 0.857 280 V CB 1.135 32.291 31.823 -1.111 0.000 0.985 280 V HN 0.393 nan 8.190 nan 0.000 0.443 281 K N 4.522 124.570 120.400 -0.586 0.000 2.180 281 K HA 0.192 4.513 4.320 0.001 0.000 0.250 281 K C 0.840 177.277 176.600 -0.270 0.000 1.135 281 K CA -0.303 55.616 56.287 -0.613 0.000 1.037 281 K CB 0.714 32.715 32.500 -0.831 0.000 1.624 281 K HN 0.557 nan 8.250 nan 0.000 0.382 282 L N 2.402 123.516 121.223 -0.180 0.000 1.994 282 L HA -0.056 4.285 4.340 0.001 0.000 0.208 282 L C 0.450 177.255 176.870 -0.110 0.000 1.071 282 L CA 1.771 56.534 54.840 -0.128 0.000 0.745 282 L CB 0.264 42.233 42.059 -0.151 0.000 0.892 282 L HN 0.408 nan 8.230 nan 0.000 0.431 283 I N 0.590 121.086 120.570 -0.123 0.000 2.411 283 I HA 0.220 4.391 4.170 0.001 0.000 0.284 283 I C -0.756 175.325 176.117 -0.060 0.000 1.012 283 I CA -0.223 60.975 61.300 -0.170 0.000 1.119 283 I CB 0.937 38.662 38.000 -0.458 0.000 1.261 283 I HN 0.091 nan 8.210 nan 0.000 0.448 284 D N 5.446 125.815 120.400 -0.052 0.000 3.008 284 D HA 0.207 4.848 4.640 0.001 0.000 0.312 284 D C -0.287 175.918 176.300 -0.158 0.000 1.361 284 D CA -0.089 53.903 54.000 -0.012 0.000 0.858 284 D CB 0.303 41.111 40.800 0.014 0.000 1.098 284 D HN 0.697 nan 8.370 nan 0.000 0.482 285 N N -2.048 116.490 118.700 -0.270 0.000 3.039 285 N HA 0.310 5.051 4.740 0.001 0.000 0.257 285 N C -1.106 174.142 175.510 -0.437 0.000 1.497 285 N CA -0.763 52.076 53.050 -0.351 0.000 0.861 285 N CB 0.224 38.642 38.487 -0.116 0.000 1.479 285 N HN -0.217 nan 8.380 nan 0.000 0.547 286 F N -0.113 119.796 119.950 -0.068 0.000 2.925 286 F HA 0.427 4.955 4.527 0.001 0.000 0.302 286 F C 1.085 176.870 175.800 -0.024 0.000 1.189 286 F CA -0.483 57.467 58.000 -0.083 0.000 1.346 286 F CB 0.196 39.122 39.000 -0.122 0.000 0.954 286 F HN 0.464 nan 8.300 nan 0.000 0.506 287 E N 0.193 120.473 120.200 0.133 0.000 2.385 287 E HA 0.227 4.577 4.350 0.001 0.000 0.194 287 E C 1.248 177.880 176.600 0.054 0.000 1.013 287 E CA 0.302 56.756 56.400 0.090 0.000 0.866 287 E CB 0.499 30.237 29.700 0.064 0.000 0.832 287 E HN 0.384 nan 8.360 nan 0.000 0.500 288 G N 0.428 109.283 108.800 0.091 0.000 2.692 288 G HA2 0.293 4.253 3.960 0.001 0.000 0.291 288 G HA3 0.293 4.253 3.960 0.001 0.000 0.291 288 G C -1.449 173.343 174.900 -0.180 0.000 1.423 288 G CA -0.687 44.357 45.100 -0.093 0.000 0.843 288 G HN -0.045 nan 8.290 nan 0.000 0.486 289 E N -0.348 119.641 120.200 -0.352 0.000 2.283 289 E HA 0.467 4.817 4.350 0.001 0.000 0.278 289 E C -1.387 174.815 176.600 -0.663 0.000 1.027 289 E CA -0.534 55.711 56.400 -0.258 0.000 0.843 289 E CB 0.888 30.565 29.700 -0.039 0.000 1.062 289 E HN 0.383 nan 8.360 nan 0.000 0.401 290 Y N 2.695 122.986 120.300 -0.015 0.000 2.402 290 Y HA 0.203 4.753 4.550 0.001 0.000 0.325 290 Y C -0.699 175.319 175.900 0.196 0.000 1.009 290 Y CA -1.129 56.928 58.100 -0.072 0.000 1.278 290 Y CB 1.388 39.534 38.460 -0.523 0.000 1.105 290 Y HN 0.453 nan 8.280 nan 0.000 0.476 291 D N 2.427 123.082 120.400 0.425 0.000 2.392 291 D HA 0.096 4.737 4.640 0.001 0.000 0.228 291 D C -0.955 175.642 176.300 0.496 0.000 1.074 291 D CA -0.652 53.586 54.000 0.396 0.000 0.838 291 D CB 0.519 41.453 40.800 0.223 0.000 1.067 291 D HN 0.399 nan 8.370 nan 0.000 0.511 292 Y N 3.964 124.482 120.300 0.364 0.000 2.620 292 Y HA 0.146 4.696 4.550 0.001 0.000 0.330 292 Y C 0.360 176.268 175.900 0.013 0.000 1.186 292 Y CA 0.281 58.438 58.100 0.094 0.000 1.467 292 Y CB 0.738 39.287 38.460 0.148 0.000 1.262 292 Y HN 0.260 nan 8.280 nan 0.000 0.550 293 V N 3.742 123.206 119.914 -0.751 0.000 2.721 293 V HA 0.179 4.299 4.120 0.001 0.000 0.236 293 V C 0.559 176.067 176.094 -0.977 0.000 1.116 293 V CA 1.201 63.132 62.300 -0.616 0.000 1.148 293 V CB 0.349 31.979 31.823 -0.321 0.000 0.886 293 V HN 0.829 nan 8.190 nan 0.000 0.490 294 T N 0.262 114.131 114.554 -1.141 0.000 2.700 294 T HA 0.382 4.732 4.350 0.001 0.000 0.307 294 T C -2.228 172.076 174.700 -0.660 0.000 1.580 294 T CA -0.564 61.028 62.100 -0.846 0.000 0.992 294 T CB 1.711 70.356 68.868 -0.372 0.000 1.577 294 T HN 0.530 nan 8.240 nan 0.000 0.496 295 N N 1.112 119.519 118.700 -0.488 0.000 2.357 295 N HA 0.476 5.216 4.740 0.001 0.000 0.284 295 N C -1.756 173.502 175.510 -0.419 0.000 1.236 295 N CA -0.724 51.884 53.050 -0.737 0.000 0.774 295 N CB 2.194 39.616 38.487 -1.774 0.000 1.534 295 N HN 0.495 nan 8.380 nan 0.000 0.478 296 E N 0.379 120.363 120.200 -0.361 0.000 2.279 296 E HA 0.379 4.730 4.350 0.001 0.000 0.252 296 E C 0.738 177.242 176.600 -0.161 0.000 0.894 296 E CA -0.281 56.002 56.400 -0.194 0.000 0.785 296 E CB 1.197 30.818 29.700 -0.131 0.000 1.237 296 E HN 0.964 nan 8.360 nan 0.000 0.418 297 G N 3.416 112.156 108.800 -0.100 0.000 2.660 297 G HA2 -0.435 3.525 3.960 0.001 0.000 0.321 297 G HA3 -0.435 3.525 3.960 0.001 0.000 0.321 297 G C 0.962 175.841 174.900 -0.035 0.000 1.246 297 G CA 1.093 46.185 45.100 -0.014 0.000 1.000 297 G HN 0.574 nan 8.290 nan 0.000 0.550 298 T N -1.433 113.123 114.554 0.004 0.000 3.129 298 T HA 0.455 4.805 4.350 0.001 0.000 0.251 298 T C 0.786 175.427 174.700 -0.098 0.000 1.117 298 T CA 0.876 62.960 62.100 -0.027 0.000 1.034 298 T CB 0.248 69.166 68.868 0.083 0.000 0.968 298 T HN 0.915 nan 8.240 nan 0.000 0.526 299 V N 2.643 122.486 119.914 -0.118 0.000 2.368 299 V HA 0.416 4.536 4.120 0.001 0.000 0.266 299 V C -0.678 175.271 176.094 -0.241 0.000 1.045 299 V CA -0.808 61.434 62.300 -0.097 0.000 0.899 299 V CB -0.459 31.326 31.823 -0.064 0.000 1.006 299 V HN 0.334 nan 8.190 nan 0.000 0.470 300 F N 2.500 122.225 119.950 -0.375 0.000 2.411 300 F HA 0.438 4.965 4.527 0.001 0.000 0.352 300 F C 0.907 176.484 175.800 -0.372 0.000 1.123 300 F CA -0.370 57.362 58.000 -0.445 0.000 1.044 300 F CB 1.807 40.470 39.000 -0.562 0.000 1.135 300 F HN 0.326 nan 8.300 nan 0.000 0.461 301 T N 5.135 119.471 114.554 -0.364 0.000 2.743 301 T HA 0.479 4.830 4.350 0.001 0.000 0.293 301 T C -0.783 173.675 174.700 -0.404 0.000 0.945 301 T CA -0.066 61.872 62.100 -0.269 0.000 1.030 301 T CB -0.023 68.699 68.868 -0.243 0.000 0.912 301 T HN 0.165 nan 8.240 nan 0.000 0.483 302 F N 1.836 121.800 119.950 0.024 0.000 2.551 302 F HA 0.466 4.994 4.527 0.001 0.000 0.316 302 F C 0.423 176.241 175.800 0.031 0.000 1.089 302 F CA -1.266 56.776 58.000 0.069 0.000 0.915 302 F CB 1.829 40.920 39.000 0.151 0.000 1.186 302 F HN 0.295 nan 8.300 nan 0.000 0.456 303 K N 1.662 122.198 120.400 0.227 0.000 2.276 303 K HA 0.464 4.784 4.320 0.001 0.000 0.283 303 K C -0.575 176.120 176.600 0.159 0.000 1.044 303 K CA 0.086 56.467 56.287 0.156 0.000 0.944 303 K CB 0.970 33.534 32.500 0.105 0.000 1.012 303 K HN 0.762 nan 8.250 nan 0.000 0.472 304 T N 1.873 116.484 114.554 0.095 0.000 2.896 304 T HA 0.275 4.625 4.350 0.001 0.000 0.297 304 T C -0.419 174.183 174.700 -0.163 0.000 1.108 304 T CA -0.866 61.166 62.100 -0.113 0.000 1.004 304 T CB 0.816 69.540 68.868 -0.240 0.000 1.159 304 T HN 0.795 nan 8.240 nan 0.000 0.499 305 N N 1.208 119.671 118.700 -0.396 0.000 2.200 305 N HA 0.155 4.895 4.740 0.001 0.000 0.224 305 N C 0.074 175.382 175.510 -0.336 0.000 1.179 305 N CA -0.536 52.172 53.050 -0.571 0.000 0.877 305 N CB -0.017 37.861 38.487 -1.014 0.000 1.072 305 N HN 0.331 nan 8.380 nan 0.000 0.519 306 R N 1.519 121.844 120.500 -0.292 0.000 2.446 306 R HA 0.025 4.365 4.340 0.001 0.000 0.314 306 R C -0.197 175.996 176.300 -0.178 0.000 1.003 306 R CA 0.385 56.326 56.100 -0.264 0.000 1.018 306 R CB -0.930 29.288 30.300 -0.137 0.000 0.945 306 R HN 0.273 nan 8.270 nan 0.000 0.419 307 H N 0.905 119.971 119.070 -0.007 0.000 2.921 307 H HA -0.184 4.372 4.556 0.001 0.000 0.281 307 H C -0.874 174.446 175.328 -0.014 0.000 1.165 307 H CA 1.371 57.419 56.048 -0.000 0.000 1.151 307 H CB -1.987 27.791 29.762 0.027 0.000 1.311 307 H HN 0.604 nan 8.280 nan 0.000 0.361 308 S N -1.684 114.024 115.700 0.014 0.000 2.488 308 S HA 0.317 4.788 4.470 0.001 0.000 0.151 308 S C -1.815 172.703 174.600 -0.137 0.000 1.401 308 S CA -0.811 57.378 58.200 -0.019 0.000 1.221 308 S CB 2.758 65.961 63.200 0.005 0.000 1.407 308 S HN -0.133 nan 8.310 nan 0.000 0.406 309 P HA -0.085 nan 4.420 nan 0.000 0.219 309 P C 0.483 177.766 177.300 -0.028 0.000 1.146 309 P CA 1.143 64.187 63.100 -0.093 0.000 0.808 309 P CB -0.054 31.658 31.700 0.020 0.000 0.779 310 N N -1.813 116.937 118.700 0.083 0.000 2.336 310 N HA 0.026 4.766 4.740 0.001 0.000 0.189 310 N C -0.279 175.466 175.510 0.392 0.000 1.113 310 N CA 0.025 53.231 53.050 0.261 0.000 0.858 310 N CB -0.450 38.184 38.487 0.246 0.000 0.970 310 N HN 0.144 nan 8.380 nan 0.000 0.471 311 Y N -0.264 120.070 120.300 0.057 0.000 2.517 311 Y HA -0.315 4.235 4.550 0.001 0.000 0.021 311 Y C 0.574 176.496 175.900 0.037 0.000 1.713 311 Y CA -0.176 57.936 58.100 0.020 0.000 1.412 311 Y CB -0.543 37.902 38.460 -0.025 0.000 2.058 311 Y HN 0.236 nan 8.280 nan 0.000 0.255 312 R N 0.566 121.161 120.500 0.158 0.000 2.747 312 R HA 0.906 5.247 4.340 0.001 0.000 0.272 312 R C -2.206 174.148 176.300 0.091 0.000 1.032 312 R CA -1.358 54.812 56.100 0.116 0.000 0.896 312 R CB 1.506 31.875 30.300 0.115 0.000 1.253 312 R HN 0.501 nan 8.270 nan 0.000 0.461 313 L N 2.309 123.574 121.223 0.071 0.000 2.296 313 L HA 0.608 4.948 4.340 0.001 0.000 0.286 313 L C -0.162 176.768 176.870 0.099 0.000 1.023 313 L CA -0.972 53.907 54.840 0.064 0.000 0.812 313 L CB 1.611 43.673 42.059 0.006 0.000 1.223 313 L HN 0.569 nan 8.230 nan 0.000 0.421 314 I N -0.050 120.597 120.570 0.129 0.000 2.740 314 I HA 0.517 4.687 4.170 0.001 0.000 0.303 314 I C -0.835 175.356 176.117 0.124 0.000 1.044 314 I CA -0.744 60.646 61.300 0.150 0.000 1.064 314 I CB 2.141 40.255 38.000 0.190 0.000 1.249 314 I HN 0.498 nan 8.210 nan 0.000 0.433 315 N N 4.666 123.434 118.700 0.113 0.000 2.424 315 N HA 0.581 5.321 4.740 0.001 0.000 0.271 315 N C -1.199 174.354 175.510 0.072 0.000 0.985 315 N CA -0.600 52.500 53.050 0.084 0.000 0.921 315 N CB 2.030 40.557 38.487 0.066 0.000 1.149 315 N HN 0.461 nan 8.380 nan 0.000 0.492 316 I N 1.176 121.781 120.570 0.058 0.000 2.362 316 I HA 0.150 4.321 4.170 0.001 0.000 0.289 316 I C -0.430 175.788 176.117 0.168 0.000 0.994 316 I CA -0.672 60.620 61.300 -0.012 0.000 1.158 316 I CB 1.412 39.271 38.000 -0.234 0.000 1.315 316 I HN 0.397 nan 8.210 nan 0.000 0.451 317 D N 6.040 126.565 120.400 0.208 0.000 2.313 317 D HA 0.140 4.781 4.640 0.001 0.000 0.239 317 D C 0.854 177.341 176.300 0.312 0.000 1.142 317 D CA -0.237 53.879 54.000 0.192 0.000 0.847 317 D CB 0.826 41.726 40.800 0.166 0.000 1.082 317 D HN 0.242 nan 8.370 nan 0.000 0.480 318 F N 1.534 121.491 119.950 0.012 0.000 2.250 318 F HA -0.161 4.366 4.527 0.001 0.000 0.301 318 F C 2.582 178.424 175.800 0.069 0.000 1.077 318 F CA 1.279 59.246 58.000 -0.056 0.000 1.348 318 F CB -1.281 37.520 39.000 -0.331 0.000 1.040 318 F HN 0.437 nan 8.300 nan 0.000 0.509 319 T N -3.891 110.826 114.554 0.271 0.000 3.088 319 T HA -0.012 4.339 4.350 0.001 0.000 0.259 319 T C 0.496 175.297 174.700 0.169 0.000 1.122 319 T CA 0.709 62.928 62.100 0.198 0.000 1.095 319 T CB -0.013 68.951 68.868 0.159 0.000 0.930 319 T HN 0.029 nan 8.240 nan 0.000 0.508 320 D N 1.541 122.056 120.400 0.192 0.000 2.849 320 D HA 0.283 4.923 4.640 0.001 0.000 0.314 320 D C -2.102 174.339 176.300 0.236 0.000 1.210 320 D CA -1.854 52.251 54.000 0.176 0.000 0.756 320 D CB 1.327 42.219 40.800 0.154 0.000 1.222 320 D HN 0.069 nan 8.370 nan 0.000 0.521 321 P HA 0.037 nan 4.420 nan 0.000 0.245 321 P C -0.026 177.509 177.300 0.391 0.000 1.206 321 P CA 0.107 63.405 63.100 0.330 0.000 0.781 321 P CB 0.511 32.345 31.700 0.223 0.000 0.994 322 E N 0.780 121.092 120.200 0.187 0.000 2.413 322 E HA -0.050 4.301 4.350 0.001 0.000 0.263 322 E C 1.199 177.629 176.600 -0.284 0.000 1.015 322 E CA -0.040 56.364 56.400 0.007 0.000 0.916 322 E CB 0.690 30.372 29.700 -0.030 0.000 0.947 322 E HN 0.178 nan 8.360 nan 0.000 0.440 323 E N 1.813 121.593 120.200 -0.699 0.000 2.130 323 E HA -0.252 4.098 4.350 0.001 0.000 0.196 323 E C 1.750 177.820 176.600 -0.882 0.000 0.998 323 E CA 1.598 57.019 56.400 -1.631 0.000 0.806 323 E CB 0.063 29.050 29.700 -1.188 0.000 0.738 323 E HN 0.561 nan 8.360 nan 0.000 0.459 324 S N -0.042 115.415 115.700 -0.405 0.000 2.465 324 S HA -0.102 4.369 4.470 0.001 0.000 0.241 324 S C 1.530 176.082 174.600 -0.080 0.000 1.000 324 S CA 0.770 58.859 58.200 -0.185 0.000 0.964 324 S CB -0.039 63.095 63.200 -0.110 0.000 0.763 324 S HN 0.126 nan 8.310 nan 0.000 0.512 325 K N -0.170 120.198 120.400 -0.052 0.000 2.379 325 K HA 0.164 4.485 4.320 0.001 0.000 0.194 325 K C -0.061 176.702 176.600 0.271 0.000 1.031 325 K CA -0.202 56.151 56.287 0.110 0.000 1.037 325 K CB -0.225 32.362 32.500 0.145 0.000 0.824 325 K HN 0.454 nan 8.250 nan 0.000 0.516 326 W N 3.190 124.549 121.300 0.098 0.000 2.170 326 W HA 0.059 4.719 4.660 0.001 0.000 0.342 326 W C 0.679 177.262 176.519 0.107 0.000 1.294 326 W CA -0.634 56.783 57.345 0.120 0.000 1.246 326 W CB 0.063 29.608 29.460 0.142 0.000 1.156 326 W HN -0.232 nan 8.180 nan 0.000 0.572 327 K N 2.096 122.694 120.400 0.330 0.000 2.159 327 K HA 0.434 4.755 4.320 0.001 0.000 0.266 327 K C -0.763 175.958 176.600 0.201 0.000 0.975 327 K CA -1.072 55.344 56.287 0.214 0.000 0.865 327 K CB 1.970 34.560 32.500 0.151 0.000 1.087 327 K HN 0.073 nan 8.250 nan 0.000 0.446 328 V N 4.857 124.872 119.914 0.170 0.000 2.389 328 V HA -0.001 4.120 4.120 0.001 0.000 0.264 328 V C 1.284 177.445 176.094 0.111 0.000 1.049 328 V CA -0.171 62.218 62.300 0.149 0.000 0.932 328 V CB 0.650 32.557 31.823 0.139 0.000 1.011 328 V HN 0.671 nan 8.190 nan 0.000 0.475 329 L N 6.455 127.737 121.223 0.099 0.000 2.102 329 L HA 0.236 4.576 4.340 0.001 0.000 0.202 329 L C 0.766 177.680 176.870 0.074 0.000 1.076 329 L CA 1.784 56.669 54.840 0.075 0.000 0.761 329 L CB 0.498 42.588 42.059 0.053 0.000 0.921 329 L HN 0.434 nan 8.230 nan 0.000 0.444 330 V N 1.501 121.456 119.914 0.068 0.000 2.357 330 V HA 0.383 4.504 4.120 0.001 0.000 0.281 330 V C -2.295 173.856 176.094 0.096 0.000 1.015 330 V CA -1.558 60.785 62.300 0.072 0.000 0.827 330 V CB 0.951 32.778 31.823 0.006 0.000 1.018 330 V HN 0.103 nan 8.190 nan 0.000 0.432 331 P HA 0.069 nan 4.420 nan 0.000 0.270 331 P C 0.044 177.424 177.300 0.133 0.000 1.223 331 P CA -0.142 63.022 63.100 0.106 0.000 0.785 331 P CB 0.656 32.404 31.700 0.081 0.000 0.923 332 E N 1.376 121.651 120.200 0.126 0.000 2.414 332 E HA -0.071 4.279 4.350 0.001 0.000 0.263 332 E C -0.111 176.584 176.600 0.158 0.000 1.000 332 E CA -0.064 56.430 56.400 0.156 0.000 0.914 332 E CB 0.264 30.034 29.700 0.116 0.000 0.948 332 E HN 0.455 nan 8.360 nan 0.000 0.444 333 H N 3.292 122.444 119.070 0.136 0.000 2.629 333 H HA -0.019 4.537 4.556 0.001 0.000 0.357 333 H C 0.755 176.129 175.328 0.077 0.000 1.121 333 H CA 0.406 56.503 56.048 0.083 0.000 1.406 333 H CB 1.442 31.243 29.762 0.065 0.000 1.456 333 H HN 0.805 nan 8.280 nan 0.000 0.579 334 E N 2.828 122.854 120.200 -0.291 0.000 2.118 334 E HA -0.175 4.176 4.350 0.001 0.000 0.195 334 E C 1.278 177.938 176.600 0.100 0.000 0.992 334 E CA 1.492 57.829 56.400 -0.105 0.000 0.804 334 E CB 0.345 29.912 29.700 -0.221 0.000 0.741 334 E HN 0.591 nan 8.360 nan 0.000 0.458 335 K N -0.821 119.791 120.400 0.354 0.000 2.556 335 K HA 0.052 4.372 4.320 0.001 0.000 0.201 335 K C -0.621 176.180 176.600 0.334 0.000 1.423 335 K CA -0.061 56.412 56.287 0.310 0.000 1.010 335 K CB 0.765 33.400 32.500 0.225 0.000 1.409 335 K HN -0.066 nan 8.250 nan 0.000 0.538 336 D N 1.613 122.227 120.400 0.356 0.000 2.351 336 D HA 0.090 4.731 4.640 0.001 0.000 0.251 336 D C -0.666 175.782 176.300 0.246 0.000 1.137 336 D CA -0.055 54.011 54.000 0.109 0.000 0.879 336 D CB 1.759 42.365 40.800 -0.323 0.000 1.181 336 D HN -0.164 nan 8.370 nan 0.000 0.448 337 V N 3.170 123.192 119.914 0.179 0.000 2.488 337 V HA 0.030 4.150 4.120 0.001 0.000 0.277 337 V C 0.319 176.442 176.094 0.049 0.000 1.046 337 V CA -0.733 61.655 62.300 0.147 0.000 0.986 337 V CB 1.223 33.072 31.823 0.043 0.000 0.989 337 V HN 0.342 nan 8.190 nan 0.000 0.475 338 L N 5.705 126.890 121.223 -0.063 0.000 2.433 338 L HA 0.247 4.588 4.340 0.001 0.000 0.284 338 L C 1.214 177.811 176.870 -0.456 0.000 1.120 338 L CA 0.765 55.287 54.840 -0.529 0.000 0.879 338 L CB -0.050 41.736 42.059 -0.454 0.000 1.232 338 L HN 0.710 nan 8.230 nan 0.000 0.454 339 E N 5.254 125.169 120.200 -0.475 0.000 2.028 339 E HA -0.023 4.328 4.350 0.001 0.000 0.190 339 E C -0.494 175.990 176.600 -0.194 0.000 0.984 339 E CA 1.390 57.593 56.400 -0.328 0.000 0.800 339 E CB 0.185 29.759 29.700 -0.209 0.000 0.758 339 E HN 0.749 nan 8.360 nan 0.000 0.448 340 W N -1.401 119.722 121.300 -0.296 0.000 3.066 340 W HA 0.568 5.229 4.660 0.001 0.000 0.330 340 W C -1.662 174.696 176.519 -0.268 0.000 1.253 340 W CA -0.792 56.406 57.345 -0.245 0.000 1.187 340 W CB 0.660 30.009 29.460 -0.186 0.000 1.434 340 W HN -0.393 nan 8.180 nan 0.000 0.572 341 V N 1.321 121.316 119.914 0.135 0.000 2.760 341 V HA 0.809 4.929 4.120 0.001 0.000 0.309 341 V C -0.320 175.851 176.094 0.128 0.000 1.077 341 V CA -0.703 61.590 62.300 -0.011 0.000 0.910 341 V CB 1.142 32.895 31.823 -0.117 0.000 1.008 341 V HN 0.885 nan 8.190 nan 0.000 0.424 342 A N 2.317 125.186 122.820 0.082 0.000 2.401 342 A HA 0.797 5.118 4.320 0.001 0.000 0.310 342 A C -0.741 176.895 177.584 0.087 0.000 1.075 342 A CA -0.493 51.596 52.037 0.087 0.000 0.746 342 A CB 1.756 20.803 19.000 0.078 0.000 1.277 342 A HN 1.064 nan 8.150 nan 0.000 0.425 343 C N 1.945 121.297 119.300 0.086 0.000 2.319 343 C HA 0.821 5.281 4.460 0.001 0.000 0.335 343 C C -0.242 174.852 174.990 0.172 0.000 1.274 343 C CA -0.084 58.989 59.018 0.091 0.000 1.806 343 C CB -0.051 27.681 27.740 -0.013 0.000 2.329 343 C HN 1.099 nan 8.230 nan 0.000 0.524 344 V N 6.756 126.800 119.914 0.215 0.000 3.049 344 V HA 0.661 4.782 4.120 0.001 0.000 0.309 344 V C 0.327 176.544 176.094 0.205 0.000 1.148 344 V CA -0.591 61.853 62.300 0.240 0.000 0.990 344 V CB 1.759 33.779 31.823 0.328 0.000 1.039 344 V HN 1.048 nan 8.190 nan 0.000 0.430 345 R N 3.386 123.973 120.500 0.145 0.000 3.322 345 R HA -0.220 4.120 4.340 0.001 0.000 0.253 345 R C 0.915 177.173 176.300 -0.070 0.000 0.987 345 R CA 0.937 57.068 56.100 0.052 0.000 0.666 345 R CB -1.430 28.926 30.300 0.093 0.000 1.072 345 R HN 1.401 nan 8.270 nan 0.000 0.447 346 S N -1.744 113.941 115.700 -0.024 0.000 1.552 346 S HA -0.317 4.153 4.470 0.001 0.000 0.237 346 S C 0.581 175.133 174.600 -0.080 0.000 0.756 346 S CA 1.950 60.117 58.200 -0.056 0.000 1.349 346 S CB -0.963 62.188 63.200 -0.081 0.000 1.675 346 S HN 0.855 nan 8.310 nan 0.000 0.517 347 N N 0.911 119.509 118.700 -0.169 0.000 2.299 347 N HA 0.366 5.106 4.740 0.001 0.000 0.246 347 N C -0.895 174.565 175.510 -0.083 0.000 1.254 347 N CA -0.156 52.805 53.050 -0.148 0.000 0.879 347 N CB -0.108 38.271 38.487 -0.179 0.000 1.214 347 N HN 0.386 nan 8.380 nan 0.000 0.510 348 F N 0.876 120.850 119.950 0.041 0.000 2.458 348 F HA 0.577 5.105 4.527 0.001 0.000 0.330 348 F C 0.335 176.172 175.800 0.062 0.000 1.082 348 F CA -1.370 56.668 58.000 0.063 0.000 0.995 348 F CB 1.486 40.540 39.000 0.091 0.000 1.170 348 F HN -0.178 nan 8.300 nan 0.000 0.478 349 L N 3.075 124.472 121.223 0.290 0.000 2.341 349 L HA 0.581 4.921 4.340 0.001 0.000 0.278 349 L C -0.937 176.007 176.870 0.122 0.000 1.005 349 L CA -1.032 53.895 54.840 0.145 0.000 0.818 349 L CB 1.983 44.077 42.059 0.058 0.000 1.259 349 L HN 0.184 nan 8.230 nan 0.000 0.418 350 V N 4.729 124.684 119.914 0.068 0.000 2.364 350 V HA 0.343 4.463 4.120 0.001 0.000 0.272 350 V C -0.184 175.769 176.094 -0.235 0.000 1.036 350 V CA -0.378 61.916 62.300 -0.009 0.000 0.880 350 V CB 1.501 33.333 31.823 0.015 0.000 0.991 350 V HN 0.396 nan 8.190 nan 0.000 0.460 351 L N 5.294 126.348 121.223 -0.281 0.000 2.313 351 L HA 0.526 4.867 4.340 0.001 0.000 0.283 351 L C -0.263 176.221 176.870 -0.644 0.000 1.013 351 L CA 0.103 54.638 54.840 -0.509 0.000 0.816 351 L CB 1.606 43.405 42.059 -0.434 0.000 1.236 351 L HN 0.745 nan 8.230 nan 0.000 0.419 352 C N 4.309 122.958 119.300 -1.085 0.000 2.281 352 C HA 0.623 5.083 4.460 0.001 0.000 0.323 352 C C -0.453 174.091 174.990 -0.742 0.000 1.270 352 C CA -0.593 57.832 59.018 -0.988 0.000 1.559 352 C CB -0.641 26.049 27.740 -1.750 0.000 2.239 352 C HN 0.655 nan 8.230 nan 0.000 0.488 353 Y N 3.830 123.927 120.300 -0.339 0.000 2.457 353 Y HA 0.648 5.199 4.550 0.001 0.000 0.333 353 Y C 0.016 175.830 175.900 -0.144 0.000 1.119 353 Y CA -0.710 57.256 58.100 -0.224 0.000 1.143 353 Y CB 1.361 39.708 38.460 -0.188 0.000 1.230 353 Y HN 0.537 nan 8.280 nan 0.000 0.469 354 L N 3.084 124.346 121.223 0.064 0.000 2.276 354 L HA 0.331 4.672 4.340 0.001 0.000 0.286 354 L C -1.252 175.656 176.870 0.063 0.000 1.024 354 L CA -0.382 54.478 54.840 0.033 0.000 0.826 354 L CB 0.162 42.193 42.059 -0.047 0.000 1.211 354 L HN 0.640 nan 8.230 nan 0.000 0.422 355 H N 4.297 123.360 119.070 -0.011 0.000 2.595 355 H HA 0.330 4.886 4.556 0.001 0.000 0.313 355 H C -0.552 174.799 175.328 0.040 0.000 1.023 355 H CA -0.425 55.616 56.048 -0.011 0.000 1.218 355 H CB 0.476 30.220 29.762 -0.031 0.000 1.403 355 H HN 0.663 nan 8.280 nan 0.000 0.477 356 D N 4.712 124.931 120.400 -0.301 0.000 2.704 356 D HA -0.182 4.458 4.640 0.001 0.000 0.232 356 D C 0.303 176.577 176.300 -0.044 0.000 1.183 356 D CA 1.224 55.146 54.000 -0.129 0.000 0.647 356 D CB -1.141 39.627 40.800 -0.052 0.000 1.013 356 D HN 0.627 nan 8.370 nan 0.000 0.415 357 V N -2.717 117.129 119.914 -0.113 0.000 4.591 357 V HA -0.358 3.762 4.120 0.001 0.000 0.261 357 V C 0.609 176.840 176.094 0.227 0.000 0.425 357 V CA 1.847 64.163 62.300 0.027 0.000 0.826 357 V CB -1.982 29.853 31.823 0.021 0.000 0.812 357 V HN 0.515 nan 8.190 nan 0.000 1.340 358 K N 0.078 120.582 120.400 0.174 0.000 2.426 358 K HA 0.621 4.942 4.320 0.001 0.000 0.251 358 K C -0.248 176.444 176.600 0.154 0.000 0.941 358 K CA -0.741 55.661 56.287 0.192 0.000 0.808 358 K CB 2.056 34.706 32.500 0.249 0.000 1.265 358 K HN 0.345 nan 8.250 nan 0.000 0.432 359 N N 0.557 119.346 118.700 0.149 0.000 2.524 359 N HA 0.271 5.011 4.740 0.001 0.000 0.283 359 N C -0.816 174.771 175.510 0.128 0.000 1.142 359 N CA -0.176 52.950 53.050 0.126 0.000 0.984 359 N CB 1.060 39.631 38.487 0.139 0.000 1.155 359 N HN 0.567 nan 8.380 nan 0.000 0.467 360 T N -0.966 113.631 114.554 0.072 0.000 2.930 360 T HA 0.676 5.027 4.350 0.001 0.000 0.290 360 T C -1.004 173.689 174.700 -0.012 0.000 1.052 360 T CA -0.812 61.308 62.100 0.033 0.000 1.017 360 T CB 1.464 70.329 68.868 -0.004 0.000 1.137 360 T HN 0.189 nan 8.240 nan 0.000 0.511 361 L N 1.237 122.445 121.223 -0.026 0.000 2.438 361 L HA 0.544 4.884 4.340 0.001 0.000 0.270 361 L C -1.187 175.695 176.870 0.020 0.000 0.972 361 L CA -0.280 54.528 54.840 -0.054 0.000 0.831 361 L CB 2.046 44.031 42.059 -0.124 0.000 1.273 361 L HN 0.915 nan 8.230 nan 0.000 0.405 362 Q N 3.906 123.716 119.800 0.016 0.000 2.421 362 Q HA 0.605 4.945 4.340 0.001 0.000 0.280 362 Q C -1.660 174.351 176.000 0.019 0.000 1.085 362 Q CA -1.061 54.702 55.803 -0.067 0.000 0.807 362 Q CB 3.144 31.919 28.738 0.061 0.000 1.405 362 Q HN 0.495 nan 8.270 nan 0.000 0.419 363 L N 1.736 122.832 121.223 -0.212 0.000 2.296 363 L HA 0.433 4.774 4.340 0.001 0.000 0.286 363 L C -1.061 175.731 176.870 -0.129 0.000 1.023 363 L CA 0.011 54.776 54.840 -0.125 0.000 0.812 363 L CB 0.856 42.686 42.059 -0.381 0.000 1.223 363 L HN 0.610 nan 8.230 nan 0.000 0.421 364 H N 1.693 120.720 119.070 -0.070 0.000 2.731 364 H HA 0.270 4.826 4.556 0.001 0.000 0.368 364 H C -1.283 174.112 175.328 0.111 0.000 1.168 364 H CA -0.949 55.097 56.048 -0.003 0.000 1.181 364 H CB 2.185 31.953 29.762 0.011 0.000 1.743 364 H HN 0.561 nan 8.280 nan 0.000 0.547 365 D N 1.155 121.688 120.400 0.222 0.000 2.350 365 D HA -0.027 4.613 4.640 0.001 0.000 0.249 365 D C 0.871 177.267 176.300 0.159 0.000 1.119 365 D CA -0.404 53.726 54.000 0.217 0.000 0.886 365 D CB 1.089 41.970 40.800 0.135 0.000 1.195 365 D HN 0.288 nan 8.370 nan 0.000 0.437 366 L N 4.680 125.975 121.223 0.118 0.000 2.093 366 L HA 0.084 4.424 4.340 0.001 0.000 0.208 366 L C 1.942 178.830 176.870 0.029 0.000 1.085 366 L CA 2.119 56.990 54.840 0.053 0.000 0.755 366 L CB -0.779 41.285 42.059 0.009 0.000 0.904 366 L HN 0.595 nan 8.230 nan 0.000 0.435 367 A N -1.319 121.517 122.820 0.027 0.000 1.930 367 A HA -0.149 4.171 4.320 0.001 0.000 0.217 367 A C 2.229 179.832 177.584 0.032 0.000 1.175 367 A CA 2.172 54.219 52.037 0.017 0.000 0.627 367 A CB -0.931 18.074 19.000 0.009 0.000 0.815 367 A HN 0.595 nan 8.150 nan 0.000 0.443 368 T N -6.360 108.223 114.554 0.049 0.000 2.969 368 T HA 0.435 4.786 4.350 0.001 0.000 0.250 368 T C 1.447 176.192 174.700 0.075 0.000 1.021 368 T CA 1.083 63.215 62.100 0.054 0.000 1.003 368 T CB 0.433 69.330 68.868 0.048 0.000 1.040 368 T HN 1.700 nan 8.240 nan 0.000 0.492 369 G N 1.756 110.616 108.800 0.100 0.000 2.176 369 G HA2 -0.059 3.901 3.960 0.001 0.000 0.253 369 G HA3 -0.059 3.901 3.960 0.001 0.000 0.253 369 G C 0.360 175.406 174.900 0.244 0.000 0.979 369 G CA -0.031 45.158 45.100 0.148 0.000 0.641 369 G HN 1.257 nan 8.290 nan 0.000 0.530 370 A N 0.185 123.087 122.820 0.136 0.000 2.477 370 A HA 0.620 4.940 4.320 0.001 0.000 0.246 370 A C 0.665 178.192 177.584 -0.095 0.000 1.078 370 A CA 0.312 52.381 52.037 0.053 0.000 0.770 370 A CB 0.505 19.512 19.000 0.012 0.000 1.011 370 A HN 1.694 nan 8.150 nan 0.000 0.494 371 L N 2.691 123.724 121.223 -0.317 0.000 2.499 371 L HA 0.201 4.541 4.340 0.001 0.000 0.273 371 L C 0.494 177.130 176.870 -0.390 0.000 1.195 371 L CA 0.717 55.125 54.840 -0.720 0.000 0.882 371 L CB 0.087 41.822 42.059 -0.539 0.000 1.133 371 L HN 0.729 nan 8.230 nan 0.000 0.483 372 L N 2.714 123.694 121.223 -0.405 0.000 2.624 372 L HA 0.373 4.714 4.340 0.001 0.000 0.222 372 L C 0.091 176.762 176.870 -0.331 0.000 1.046 372 L CA -0.098 54.574 54.840 -0.280 0.000 0.872 372 L CB 0.039 41.965 42.059 -0.223 0.000 1.190 372 L HN 0.619 nan 8.230 nan 0.000 0.487 373 K N 0.604 120.733 120.400 -0.452 0.000 2.561 373 K HA 0.485 4.806 4.320 0.001 0.000 0.254 373 K C -1.666 174.531 176.600 -0.672 0.000 0.942 373 K CA -0.219 55.741 56.287 -0.545 0.000 0.818 373 K CB 1.657 33.763 32.500 -0.658 0.000 1.306 373 K HN -0.058 nan 8.250 nan 0.000 0.435 374 I N 4.988 125.238 120.570 -0.534 0.000 2.321 374 I HA 0.363 4.534 4.170 0.001 0.000 0.291 374 I C -0.618 175.207 176.117 -0.486 0.000 0.998 374 I CA -0.739 60.285 61.300 -0.459 0.000 1.227 374 I CB 0.610 38.450 38.000 -0.267 0.000 1.368 374 I HN 0.478 nan 8.210 nan 0.000 0.466 375 F N 7.919 127.756 119.950 -0.190 0.000 2.421 375 F HA 0.316 4.843 4.527 0.001 0.000 0.358 375 F C -1.771 173.910 175.800 -0.199 0.000 1.115 375 F CA -2.672 55.205 58.000 -0.205 0.000 1.160 375 F CB -0.109 38.705 39.000 -0.311 0.000 1.123 375 F HN 0.257 nan 8.300 nan 0.000 0.508 376 P HA 0.280 nan 4.420 nan 0.000 0.276 376 P C -0.844 176.368 177.300 -0.146 0.000 1.235 376 P CA 0.042 63.092 63.100 -0.084 0.000 0.772 376 P CB 1.166 32.820 31.700 -0.076 0.000 0.871 377 L N 1.931 123.074 121.223 -0.134 0.000 2.371 377 L HA 0.422 4.762 4.340 0.001 0.000 0.262 377 L C 0.813 177.563 176.870 -0.199 0.000 1.006 377 L CA -1.161 53.531 54.840 -0.246 0.000 0.818 377 L CB 1.944 43.932 42.059 -0.119 0.000 1.354 377 L HN 0.233 nan 8.230 nan 0.000 0.415 378 E N 0.869 120.843 120.200 -0.377 0.000 2.605 378 E HA 0.152 4.502 4.350 0.001 0.000 0.255 378 E C -0.448 176.266 176.600 0.190 0.000 1.369 378 E CA -0.374 55.973 56.400 -0.088 0.000 1.017 378 E CB 0.969 30.637 29.700 -0.053 0.000 1.086 378 E HN 0.372 nan 8.360 nan 0.000 0.605 379 V N -1.513 118.563 119.914 0.270 0.000 2.446 379 V HA 0.616 4.736 4.120 0.001 0.000 0.276 379 V C 0.570 176.870 176.094 0.342 0.000 1.030 379 V CA 0.738 63.213 62.300 0.290 0.000 1.033 379 V CB -0.093 31.862 31.823 0.220 0.000 0.993 379 V HN 0.758 nan 8.190 nan 0.000 0.477 380 G N 3.744 112.704 108.800 0.268 0.000 2.452 380 G HA2 0.465 4.425 3.960 0.001 0.000 0.224 380 G HA3 0.465 4.425 3.960 0.001 0.000 0.224 380 G C -0.853 173.980 174.900 -0.113 0.000 1.208 380 G CA -0.136 44.884 45.100 -0.133 0.000 0.946 380 G HN 0.961 nan 8.290 nan 0.000 0.481 381 S N -1.038 114.433 115.700 -0.380 0.000 2.542 381 S HA 0.667 5.137 4.470 0.001 0.000 0.293 381 S C -0.463 174.127 174.600 -0.016 0.000 1.089 381 S CA -0.489 57.632 58.200 -0.131 0.000 0.961 381 S CB 2.001 65.104 63.200 -0.161 0.000 1.062 381 S HN 0.822 nan 8.310 nan 0.000 0.483 382 V N 3.259 123.290 119.914 0.196 0.000 2.406 382 V HA 0.221 4.341 4.120 0.001 0.000 0.272 382 V C 0.866 177.116 176.094 0.261 0.000 1.043 382 V CA -0.207 62.292 62.300 0.332 0.000 0.915 382 V CB 0.959 33.057 31.823 0.458 0.000 0.988 382 V HN 0.862 nan 8.190 nan 0.000 0.466 383 V N 1.784 121.825 119.914 0.211 0.000 3.477 383 V HA 0.718 4.839 4.120 0.001 0.000 0.297 383 V C 0.589 176.765 176.094 0.138 0.000 1.433 383 V CA 0.515 62.894 62.300 0.131 0.000 1.052 383 V CB 0.290 32.158 31.823 0.074 0.000 0.895 383 V HN 0.826 nan 8.190 nan 0.000 0.438 384 G N -0.524 108.407 108.800 0.217 0.000 2.718 384 G HA2 0.619 4.579 3.960 0.001 0.000 0.295 384 G HA3 0.619 4.579 3.960 0.001 0.000 0.295 384 G C -2.271 172.828 174.900 0.332 0.000 1.421 384 G CA -0.755 44.473 45.100 0.215 0.000 0.902 384 G HN 0.485 nan 8.290 nan 0.000 0.501 385 Y N 0.992 121.352 120.300 0.100 0.000 2.521 385 Y HA 0.662 5.212 4.550 0.001 0.000 0.328 385 Y C -0.700 175.290 175.900 0.150 0.000 1.151 385 Y CA -0.675 57.518 58.100 0.155 0.000 1.054 385 Y CB 1.956 40.396 38.460 -0.033 0.000 1.338 385 Y HN 1.097 nan 8.280 nan 0.000 0.453 386 S N 3.147 118.418 115.700 -0.715 0.000 2.569 386 S HA 0.955 5.425 4.470 0.001 0.000 0.280 386 S C -0.550 173.578 174.600 -0.787 0.000 1.111 386 S CA -0.443 57.431 58.200 -0.543 0.000 0.887 386 S CB 1.772 65.012 63.200 0.067 0.000 1.095 386 S HN 1.987 nan 8.310 nan 0.000 0.476 387 G N 2.268 110.902 108.800 -0.277 0.000 2.145 387 G HA2 0.293 4.253 3.960 0.001 0.000 0.174 387 G HA3 0.293 4.253 3.960 0.001 0.000 0.174 387 G C -0.980 174.055 174.900 0.225 0.000 1.726 387 G CA -0.449 44.668 45.100 0.028 0.000 1.080 387 G HN 1.009 nan 8.290 nan 0.000 0.606 388 Q N 1.559 121.470 119.800 0.184 0.000 2.166 388 Q HA 0.555 4.895 4.340 0.001 0.000 0.226 388 Q C 1.448 177.545 176.000 0.163 0.000 0.989 388 Q CA -0.720 55.197 55.803 0.190 0.000 0.966 388 Q CB 1.669 30.507 28.738 0.166 0.000 1.173 388 Q HN 0.299 nan 8.270 nan 0.000 0.509 389 K N 0.329 120.813 120.400 0.141 0.000 2.113 389 K HA -0.217 4.103 4.320 0.001 0.000 0.208 389 K C 1.866 178.519 176.600 0.089 0.000 1.047 389 K CA 2.203 58.554 56.287 0.106 0.000 0.928 389 K CB -0.020 32.532 32.500 0.087 0.000 0.716 389 K HN 0.663 nan 8.250 nan 0.000 0.446 390 K N -0.227 120.227 120.400 0.091 0.000 2.418 390 K HA 0.008 4.329 4.320 0.001 0.000 0.195 390 K C -0.238 176.402 176.600 0.067 0.000 1.035 390 K CA 0.335 56.663 56.287 0.068 0.000 1.003 390 K CB 0.152 32.689 32.500 0.062 0.000 0.793 390 K HN -0.018 nan 8.250 nan 0.000 0.494 391 D N 2.199 122.653 120.400 0.089 0.000 2.362 391 D HA -0.022 4.619 4.640 0.001 0.000 0.242 391 D C 0.569 176.932 176.300 0.106 0.000 1.132 391 D CA 0.466 54.525 54.000 0.097 0.000 0.907 391 D CB 1.686 42.560 40.800 0.124 0.000 1.195 391 D HN 0.319 nan 8.370 nan 0.000 0.429 392 T N -2.550 112.067 114.554 0.105 0.000 3.182 392 T HA 0.215 4.566 4.350 0.001 0.000 0.277 392 T C 0.224 174.982 174.700 0.097 0.000 1.013 392 T CA -0.526 61.636 62.100 0.103 0.000 0.900 392 T CB -0.000 68.916 68.868 0.080 0.000 1.098 392 T HN 0.576 nan 8.240 nan 0.000 0.543 393 E N 1.028 121.281 120.200 0.089 0.000 2.412 393 E HA 0.626 4.977 4.350 0.001 0.000 0.279 393 E C -1.221 175.365 176.600 -0.023 0.000 0.984 393 E CA -1.437 54.950 56.400 -0.021 0.000 0.788 393 E CB 1.813 31.507 29.700 -0.009 0.000 1.277 393 E HN 0.413 nan 8.360 nan 0.000 0.455 394 I N -1.657 118.808 120.570 -0.174 0.000 2.740 394 I HA 0.693 4.863 4.170 0.001 0.000 0.303 394 I C -1.312 174.629 176.117 -0.294 0.000 1.044 394 I CA -1.188 60.047 61.300 -0.107 0.000 1.064 394 I CB 1.377 39.415 38.000 0.065 0.000 1.249 394 I HN 0.398 nan 8.210 nan 0.000 0.433 395 F N 3.374 123.302 119.950 -0.036 0.000 2.522 395 F HA 0.708 5.235 4.527 0.001 0.000 0.324 395 F C -0.652 175.238 175.800 0.150 0.000 1.077 395 F CA -0.550 57.439 58.000 -0.018 0.000 0.944 395 F CB 2.021 40.986 39.000 -0.057 0.000 1.175 395 F HN 0.522 nan 8.300 nan 0.000 0.468 396 Y N -0.560 119.924 120.300 0.307 0.000 2.544 396 Y HA 0.572 5.122 4.550 0.001 0.000 0.342 396 Y C -1.337 174.802 175.900 0.399 0.000 1.062 396 Y CA -1.405 56.912 58.100 0.362 0.000 1.023 396 Y CB 1.271 39.959 38.460 0.380 0.000 1.308 396 Y HN 0.624 nan 8.280 nan 0.000 0.457 397 Q N 3.243 123.336 119.800 0.488 0.000 2.322 397 Q HA 0.505 4.846 4.340 0.001 0.000 0.265 397 Q C -2.122 174.151 176.000 0.455 0.000 0.985 397 Q CA -0.836 55.194 55.803 0.380 0.000 0.849 397 Q CB 1.680 30.588 28.738 0.284 0.000 1.274 397 Q HN 0.793 nan 8.270 nan 0.000 0.449 398 F N 2.333 122.455 119.950 0.287 0.000 2.480 398 F HA 0.653 5.181 4.527 0.001 0.000 0.329 398 F C -0.689 175.198 175.800 0.145 0.000 1.091 398 F CA -0.162 57.997 58.000 0.264 0.000 0.972 398 F CB 2.171 41.399 39.000 0.379 0.000 1.150 398 F HN 0.481 nan 8.300 nan 0.000 0.467 399 T N 2.896 117.004 114.554 -0.743 0.000 2.864 399 T HA 0.741 5.091 4.350 0.001 0.000 0.299 399 T C -1.212 172.946 174.700 -0.903 0.000 1.166 399 T CA -0.063 61.696 62.100 -0.569 0.000 1.007 399 T CB 1.289 70.039 68.868 -0.198 0.000 1.219 399 T HN 1.025 nan 8.240 nan 0.000 0.506 400 S N 0.795 116.224 115.700 -0.452 0.000 2.688 400 S HA 0.566 5.037 4.470 0.001 0.000 0.275 400 S C 0.133 174.630 174.600 -0.171 0.000 1.175 400 S CA -0.701 57.266 58.200 -0.389 0.000 0.818 400 S CB 0.370 63.488 63.200 -0.137 0.000 1.157 400 S HN 0.447 nan 8.310 nan 0.000 0.482 401 F N 0.449 120.365 119.950 -0.058 0.000 2.216 401 F HA 0.208 4.736 4.527 0.001 0.000 0.300 401 F C 1.815 177.675 175.800 0.100 0.000 1.085 401 F CA 1.206 59.189 58.000 -0.028 0.000 1.326 401 F CB -0.387 38.552 39.000 -0.102 0.000 1.027 401 F HN 0.380 nan 8.300 nan 0.000 0.497 402 L N -1.932 119.476 121.223 0.308 0.000 2.638 402 L HA 0.217 4.557 4.340 0.001 0.000 0.232 402 L C 0.529 177.560 176.870 0.267 0.000 1.099 402 L CA 0.121 55.128 54.840 0.279 0.000 0.883 402 L CB 0.122 42.306 42.059 0.209 0.000 1.136 402 L HN 0.031 nan 8.230 nan 0.000 0.492 403 S N -1.231 114.530 115.700 0.101 0.000 2.541 403 S HA 0.429 4.899 4.470 0.001 0.000 0.271 403 S C -2.383 171.773 174.600 -0.741 0.000 1.133 403 S CA -1.089 56.909 58.200 -0.337 0.000 0.876 403 S CB 1.994 65.121 63.200 -0.122 0.000 1.105 403 S HN -0.260 nan 8.310 nan 0.000 0.470 404 P HA 0.172 nan 4.420 nan 0.000 0.217 404 P C 0.988 178.128 177.300 -0.266 0.000 1.148 404 P CA 2.056 64.635 63.100 -0.869 0.000 0.828 404 P CB -0.380 30.886 31.700 -0.725 0.000 0.783 405 G N -1.327 107.369 108.800 -0.174 0.000 2.483 405 G HA2 -0.065 3.896 3.960 0.001 0.000 0.521 405 G HA3 -0.065 3.896 3.960 0.001 0.000 0.521 405 G C -1.282 173.634 174.900 0.026 0.000 1.278 405 G CA -0.727 44.390 45.100 0.027 0.000 0.965 405 G HN 0.127 nan 8.290 nan 0.000 0.504 406 I N -0.011 120.604 120.570 0.076 0.000 2.647 406 I HA 0.514 4.684 4.170 0.001 0.000 0.295 406 I C 0.051 176.091 176.117 -0.129 0.000 1.078 406 I CA -0.907 60.308 61.300 -0.141 0.000 1.048 406 I CB 2.149 39.902 38.000 -0.412 0.000 1.239 406 I HN 0.488 nan 8.210 nan 0.000 0.421 407 I N 5.447 125.926 120.570 -0.151 0.000 2.331 407 I HA 0.302 4.472 4.170 0.001 0.000 0.292 407 I C -0.950 175.034 176.117 -0.222 0.000 0.998 407 I CA -0.418 60.853 61.300 -0.048 0.000 1.267 407 I CB 0.689 38.772 38.000 0.139 0.000 1.386 407 I HN 0.371 nan 8.210 nan 0.000 0.476 408 Y N 4.601 124.750 120.300 -0.253 0.000 2.419 408 Y HA 0.432 4.983 4.550 0.001 0.000 0.328 408 Y C 0.214 175.870 175.900 -0.407 0.000 1.162 408 Y CA -0.464 57.373 58.100 -0.438 0.000 1.174 408 Y CB 1.169 39.030 38.460 -0.999 0.000 1.228 408 Y HN 0.475 nan 8.280 nan 0.000 0.473 409 H N 1.376 120.281 119.070 -0.274 0.000 2.637 409 H HA 0.571 5.127 4.556 0.001 0.000 0.363 409 H C -1.654 173.464 175.328 -0.349 0.000 1.131 409 H CA -0.754 54.939 56.048 -0.592 0.000 1.183 409 H CB 2.105 31.415 29.762 -0.753 0.000 1.637 409 H HN 0.806 nan 8.280 nan 0.000 0.531 410 C N 5.220 123.951 119.300 -0.948 0.000 2.505 410 C HA 0.160 4.621 4.460 0.001 0.000 0.342 410 C C -0.709 173.870 174.990 -0.685 0.000 1.121 410 C CA -0.729 57.919 59.018 -0.616 0.000 1.306 410 C CB 0.475 28.064 27.740 -0.252 0.000 1.897 410 C HN 0.891 nan 8.230 nan 0.000 0.446 411 D N 4.279 124.367 120.400 -0.519 0.000 2.338 411 D HA 0.193 4.833 4.640 0.001 0.000 0.255 411 D C 0.815 177.075 176.300 -0.066 0.000 1.237 411 D CA 0.039 53.895 54.000 -0.241 0.000 0.883 411 D CB 0.703 41.446 40.800 -0.096 0.000 1.087 411 D HN 0.693 nan 8.370 nan 0.000 0.485 412 L N 3.041 124.271 121.223 0.012 0.000 2.591 412 L HA 0.012 4.352 4.340 0.001 0.000 0.228 412 L C 2.131 179.116 176.870 0.191 0.000 1.133 412 L CA 0.464 55.395 54.840 0.152 0.000 0.880 412 L CB -0.247 41.980 42.059 0.280 0.000 1.033 412 L HN 0.457 nan 8.230 nan 0.000 0.450 413 T N -4.282 110.334 114.554 0.103 0.000 3.088 413 T HA 0.045 4.395 4.350 0.001 0.000 0.259 413 T C 0.998 175.742 174.700 0.074 0.000 1.122 413 T CA -0.063 62.088 62.100 0.085 0.000 1.095 413 T CB 0.052 68.954 68.868 0.057 0.000 0.930 413 T HN -0.049 nan 8.240 nan 0.000 0.508 414 K N 1.747 122.186 120.400 0.065 0.000 2.237 414 K HA 0.258 4.578 4.320 0.001 0.000 0.270 414 K C 1.012 177.647 176.600 0.058 0.000 1.015 414 K CA -0.136 56.180 56.287 0.047 0.000 0.949 414 K CB 1.438 33.954 32.500 0.027 0.000 0.976 414 K HN 0.118 nan 8.250 nan 0.000 0.472 415 E N 1.406 121.631 120.200 0.042 0.000 2.072 415 E HA -0.126 4.224 4.350 0.001 0.000 0.191 415 E C -0.331 176.285 176.600 0.026 0.000 0.985 415 E CA 1.463 57.887 56.400 0.040 0.000 0.801 415 E CB 0.344 30.060 29.700 0.025 0.000 0.750 415 E HN 0.336 nan 8.360 nan 0.000 0.452 416 E N 0.194 120.402 120.200 0.014 0.000 2.134 416 E HA 0.206 4.557 4.350 0.001 0.000 0.278 416 E C -0.644 175.956 176.600 0.001 0.000 0.959 416 E CA -0.321 56.077 56.400 -0.003 0.000 0.783 416 E CB 1.381 31.076 29.700 -0.008 0.000 1.095 416 E HN 0.172 nan 8.360 nan 0.000 0.399 417 L N 3.460 124.676 121.223 -0.012 0.000 2.449 417 L HA 0.237 4.578 4.340 0.001 0.000 0.255 417 L C 0.175 177.077 176.870 0.053 0.000 1.167 417 L CA -0.061 54.788 54.840 0.015 0.000 1.090 417 L CB 0.001 42.048 42.059 -0.020 0.000 1.385 417 L HN 0.208 nan 8.230 nan 0.000 0.411 418 E N 3.930 124.154 120.200 0.040 0.000 2.109 418 E HA 0.302 4.653 4.350 0.001 0.000 0.278 418 E C -2.207 174.428 176.600 0.057 0.000 0.954 418 E CA -1.945 54.485 56.400 0.051 0.000 0.779 418 E CB 1.202 30.916 29.700 0.022 0.000 1.093 418 E HN 0.225 nan 8.360 nan 0.000 0.401 419 P HA 0.125 nan 4.420 nan 0.000 0.272 419 P C -0.678 176.677 177.300 0.092 0.000 1.223 419 P CA -0.183 62.957 63.100 0.067 0.000 0.784 419 P CB 1.000 32.763 31.700 0.105 0.000 0.923 420 R N 0.467 121.032 120.500 0.108 0.000 2.744 420 R HA 0.470 4.810 4.340 0.001 0.000 0.279 420 R C -0.792 175.604 176.300 0.160 0.000 0.977 420 R CA -1.298 54.881 56.100 0.131 0.000 0.906 420 R CB 1.740 32.091 30.300 0.085 0.000 1.197 420 R HN 0.172 nan 8.270 nan 0.000 0.463 421 V N 3.257 123.215 119.914 0.072 0.000 2.493 421 V HA -0.062 4.059 4.120 0.001 0.000 0.292 421 V C 0.471 176.540 176.094 -0.042 0.000 1.016 421 V CA 0.827 63.059 62.300 -0.113 0.000 1.097 421 V CB 0.100 31.828 31.823 -0.158 0.000 0.947 421 V HN 0.695 nan 8.190 nan 0.000 0.479 422 F N 4.665 124.480 119.950 -0.225 0.000 2.453 422 F HA 0.447 4.975 4.527 0.001 0.000 0.284 422 F C 1.012 176.636 175.800 -0.293 0.000 1.065 422 F CA 0.119 57.993 58.000 -0.211 0.000 1.411 422 F CB 0.452 39.386 39.000 -0.111 0.000 1.131 422 F HN 0.437 nan 8.300 nan 0.000 0.582 423 R N 1.111 121.455 120.500 -0.259 0.000 2.584 423 R HA 0.372 4.712 4.340 0.001 0.000 0.276 423 R C -1.881 174.272 176.300 -0.246 0.000 1.046 423 R CA -0.504 55.368 56.100 -0.381 0.000 0.906 423 R CB 1.341 31.360 30.300 -0.468 0.000 1.215 423 R HN 0.242 nan 8.270 nan 0.000 0.449 424 E N 3.169 123.237 120.200 -0.220 0.000 2.290 424 E HA 0.535 4.885 4.350 0.001 0.000 0.274 424 E C -1.540 175.003 176.600 -0.095 0.000 0.889 424 E CA -0.935 55.377 56.400 -0.147 0.000 0.760 424 E CB 1.888 31.493 29.700 -0.157 0.000 1.206 424 E HN 0.425 nan 8.360 nan 0.000 0.419 425 V N 0.853 120.733 119.914 -0.056 0.000 2.656 425 V HA 0.797 4.918 4.120 0.001 0.000 0.307 425 V C -0.400 175.625 176.094 -0.114 0.000 1.051 425 V CA -0.423 61.861 62.300 -0.026 0.000 0.893 425 V CB 1.322 33.206 31.823 0.101 0.000 0.999 425 V HN 0.720 nan 8.190 nan 0.000 0.426 426 T N 0.936 115.429 114.554 -0.102 0.000 2.885 426 T HA 0.754 5.104 4.350 0.001 0.000 0.285 426 T C -0.466 174.153 174.700 -0.136 0.000 1.019 426 T CA -0.785 61.227 62.100 -0.146 0.000 1.010 426 T CB 1.711 70.527 68.868 -0.086 0.000 1.022 426 T HN 0.825 nan 8.240 nan 0.000 0.466 427 V N 4.033 123.843 119.914 -0.173 0.000 2.334 427 V HA 0.285 4.406 4.120 0.001 0.000 0.267 427 V C 0.452 176.550 176.094 0.007 0.000 1.040 427 V CA -0.994 61.252 62.300 -0.089 0.000 0.866 427 V CB 0.420 32.179 31.823 -0.107 0.000 1.019 427 V HN 0.793 nan 8.190 nan 0.000 0.468 428 K N 3.646 124.064 120.400 0.031 0.000 2.412 428 K HA 0.423 4.743 4.320 0.001 0.000 0.281 428 K C 1.214 177.855 176.600 0.069 0.000 1.027 428 K CA 0.619 56.933 56.287 0.045 0.000 0.989 428 K CB 0.678 33.203 32.500 0.041 0.000 0.935 428 K HN 1.005 nan 8.250 nan 0.000 0.475 429 G N 1.959 110.801 108.800 0.071 0.000 2.307 429 G HA2 -0.178 3.783 3.960 0.001 0.000 0.210 429 G HA3 -0.178 3.783 3.960 0.001 0.000 0.210 429 G C -0.012 174.951 174.900 0.105 0.000 1.005 429 G CA -0.545 44.610 45.100 0.092 0.000 0.634 429 G HN 0.494 nan 8.290 nan 0.000 0.496 430 I N 2.451 123.088 120.570 0.112 0.000 2.502 430 I HA 0.298 4.469 4.170 0.001 0.000 0.276 430 I C -0.882 175.340 176.117 0.174 0.000 1.057 430 I CA -0.866 60.528 61.300 0.157 0.000 1.163 430 I CB 1.102 39.178 38.000 0.127 0.000 1.288 430 I HN 0.087 nan 8.210 nan 0.000 0.479 431 D N 4.955 125.455 120.400 0.168 0.000 2.338 431 D HA 0.242 4.882 4.640 0.001 0.000 0.255 431 D C 1.197 177.604 176.300 0.179 0.000 1.237 431 D CA 0.098 54.161 54.000 0.105 0.000 0.883 431 D CB 1.681 42.488 40.800 0.011 0.000 1.087 431 D HN 0.619 nan 8.370 nan 0.000 0.485 432 A N 3.223 126.145 122.820 0.170 0.000 1.978 432 A HA -0.185 4.136 4.320 0.001 0.000 0.220 432 A C 2.175 179.848 177.584 0.148 0.000 1.170 432 A CA 1.580 53.749 52.037 0.220 0.000 0.636 432 A CB -0.285 18.798 19.000 0.138 0.000 0.810 432 A HN 0.583 nan 8.150 nan 0.000 0.448 433 S N 0.328 116.051 115.700 0.038 0.000 2.469 433 S HA -0.122 4.348 4.470 0.001 0.000 0.238 433 S C 1.122 175.648 174.600 -0.123 0.000 0.998 433 S CA 1.237 59.423 58.200 -0.023 0.000 0.957 433 S CB -0.318 62.863 63.200 -0.031 0.000 0.764 433 S HN 0.602 nan 8.310 nan 0.000 0.514 434 D N -0.063 120.161 120.400 -0.293 0.000 2.347 434 D HA 0.095 4.735 4.640 0.001 0.000 0.215 434 D C -0.190 175.668 176.300 -0.737 0.000 0.976 434 D CA 0.695 54.329 54.000 -0.611 0.000 0.884 434 D CB 0.125 40.361 40.800 -0.941 0.000 0.915 434 D HN 0.427 nan 8.370 nan 0.000 0.526 435 Y N 0.060 120.334 120.300 -0.042 0.000 2.598 435 Y HA 0.400 4.950 4.550 0.001 0.000 0.340 435 Y C 0.403 176.246 175.900 -0.096 0.000 1.038 435 Y CA -1.265 56.789 58.100 -0.077 0.000 1.100 435 Y CB 1.242 39.665 38.460 -0.062 0.000 1.281 435 Y HN -0.286 nan 8.280 nan 0.000 0.488 436 Q N -0.488 119.288 119.800 -0.039 0.000 2.423 436 Q HA 0.743 5.084 4.340 0.001 0.000 0.278 436 Q C -1.640 174.285 176.000 -0.124 0.000 1.097 436 Q CA -1.059 54.691 55.803 -0.087 0.000 0.809 436 Q CB 2.368 31.029 28.738 -0.129 0.000 1.391 436 Q HN 0.600 nan 8.270 nan 0.000 0.428 437 T N 1.777 116.331 114.554 -0.001 0.000 2.779 437 T HA 0.541 4.891 4.350 0.001 0.000 0.280 437 T C -0.440 174.331 174.700 0.119 0.000 0.987 437 T CA -0.565 61.560 62.100 0.043 0.000 0.966 437 T CB 1.258 70.211 68.868 0.141 0.000 0.933 437 T HN 0.554 nan 8.240 nan 0.000 0.442 438 V N 1.997 122.000 119.914 0.148 0.000 2.815 438 V HA 0.734 4.855 4.120 0.001 0.000 0.314 438 V C -0.734 175.491 176.094 0.218 0.000 1.064 438 V CA -1.076 61.340 62.300 0.194 0.000 0.952 438 V CB 1.939 33.889 31.823 0.211 0.000 1.020 438 V HN 0.856 nan 8.190 nan 0.000 0.439 439 Q N 2.507 122.399 119.800 0.154 0.000 2.331 439 Q HA 0.746 5.086 4.340 0.001 0.000 0.267 439 Q C -1.115 174.776 176.000 -0.182 0.000 1.006 439 Q CA -0.771 54.986 55.803 -0.077 0.000 0.818 439 Q CB 1.915 30.582 28.738 -0.118 0.000 1.276 439 Q HN 0.967 nan 8.270 nan 0.000 0.450 440 I N -0.638 119.713 120.570 -0.366 0.000 3.108 440 I HA 0.681 4.851 4.170 0.001 0.000 0.312 440 I C -1.458 174.268 176.117 -0.652 0.000 1.095 440 I CA -0.860 60.263 61.300 -0.295 0.000 1.000 440 I CB 1.629 39.557 38.000 -0.120 0.000 1.229 440 I HN 0.423 nan 8.210 nan 0.000 0.454 441 F N 2.891 122.799 119.950 -0.071 0.000 2.499 441 F HA 0.568 5.096 4.527 0.001 0.000 0.333 441 F C -0.834 174.921 175.800 -0.075 0.000 1.138 441 F CA -0.522 57.413 58.000 -0.109 0.000 0.945 441 F CB 1.555 40.496 39.000 -0.097 0.000 1.181 441 F HN 0.516 nan 8.300 nan 0.000 0.435 442 Y N 2.255 122.536 120.300 -0.032 0.000 2.409 442 Y HA 0.808 5.358 4.550 0.001 0.000 0.339 442 Y C -3.071 172.874 175.900 0.076 0.000 1.033 442 Y CA -3.944 54.143 58.100 -0.021 0.000 1.094 442 Y CB 1.048 39.395 38.460 -0.188 0.000 1.210 442 Y HN 0.253 nan 8.280 nan 0.000 0.456 443 P HA 0.078 nan 4.420 nan 0.000 0.276 443 P C -0.187 177.222 177.300 0.181 0.000 1.235 443 P CA -0.012 63.153 63.100 0.108 0.000 0.772 443 P CB 1.811 33.581 31.700 0.117 0.000 0.871 444 S N 2.122 117.868 115.700 0.077 0.000 2.661 444 S HA 0.119 4.590 4.470 0.001 0.000 0.265 444 S C 1.580 176.230 174.600 0.084 0.000 1.225 444 S CA -0.498 57.773 58.200 0.119 0.000 0.986 444 S CB 0.306 63.527 63.200 0.035 0.000 1.008 444 S HN 0.463 nan 8.310 nan 0.000 0.565 445 K N 0.390 120.832 120.400 0.070 0.000 2.089 445 K HA -0.195 4.125 4.320 0.001 0.000 0.210 445 K C 0.960 177.574 176.600 0.023 0.000 1.048 445 K CA 2.280 58.595 56.287 0.046 0.000 0.926 445 K CB -0.389 32.132 32.500 0.036 0.000 0.714 445 K HN 0.746 nan 8.250 nan 0.000 0.448 446 D N -1.910 118.492 120.400 0.002 0.000 2.328 446 D HA 0.065 4.705 4.640 0.001 0.000 0.226 446 D C 1.002 177.298 176.300 -0.007 0.000 1.066 446 D CA 0.736 54.729 54.000 -0.012 0.000 0.861 446 D CB 0.413 41.191 40.800 -0.037 0.000 0.912 446 D HN 0.442 nan 8.370 nan 0.000 0.521 447 G N -0.524 108.280 108.800 0.008 0.000 2.195 447 G HA2 -0.271 3.690 3.960 0.001 0.000 0.246 447 G HA3 -0.271 3.690 3.960 0.001 0.000 0.246 447 G C 0.461 175.361 174.900 -0.000 0.000 0.984 447 G CA 0.204 45.311 45.100 0.012 0.000 0.633 447 G HN 0.444 nan 8.290 nan 0.000 0.525 448 T N 3.318 117.863 114.554 -0.015 0.000 2.867 448 T HA 0.382 4.732 4.350 0.001 0.000 0.297 448 T C 0.475 175.167 174.700 -0.014 0.000 0.989 448 T CA 0.249 62.342 62.100 -0.011 0.000 1.159 448 T CB 0.891 69.735 68.868 -0.040 0.000 0.928 448 T HN 0.171 nan 8.240 nan 0.000 0.538 449 K N 3.988 124.388 120.400 -0.000 0.000 2.349 449 K HA 0.292 4.612 4.320 0.001 0.000 0.288 449 K C -0.058 176.561 176.600 0.032 0.000 1.058 449 K CA -0.378 55.895 56.287 -0.023 0.000 0.953 449 K CB 0.589 33.072 32.500 -0.028 0.000 0.997 449 K HN 0.433 nan 8.250 nan 0.000 0.477 450 I N 5.252 125.683 120.570 -0.231 0.000 2.404 450 I HA 0.305 4.476 4.170 0.001 0.000 0.293 450 I C -2.304 173.673 176.117 -0.234 0.000 0.992 450 I CA -3.244 57.934 61.300 -0.202 0.000 1.149 450 I CB 1.213 38.824 38.000 -0.649 0.000 1.315 450 I HN 0.161 nan 8.210 nan 0.000 0.446 451 P HA 0.385 nan 4.420 nan 0.000 0.275 451 P C -0.712 176.431 177.300 -0.263 0.000 1.228 451 P CA -0.442 62.422 63.100 -0.393 0.000 0.786 451 P CB 0.904 32.431 31.700 -0.287 0.000 0.927 452 M N 2.850 122.207 119.600 -0.406 0.000 2.322 452 M HA 0.478 4.958 4.480 0.001 0.000 0.286 452 M C -1.768 174.345 176.300 -0.313 0.000 1.111 452 M CA -0.652 54.531 55.300 -0.194 0.000 0.941 452 M CB 1.191 33.780 32.600 -0.018 0.000 1.671 452 M HN -0.018 nan 8.290 nan 0.000 0.470 453 F N 5.059 125.004 119.950 -0.009 0.000 2.396 453 F HA 0.587 5.115 4.527 0.001 0.000 0.343 453 F C -0.204 175.519 175.800 -0.128 0.000 1.104 453 F CA -0.272 57.707 58.000 -0.035 0.000 1.161 453 F CB 0.972 40.015 39.000 0.073 0.000 1.146 453 F HN 0.375 nan 8.300 nan 0.000 0.522 454 I N 3.636 124.245 120.570 0.066 0.000 2.466 454 I HA 0.443 4.614 4.170 0.001 0.000 0.289 454 I C -1.174 174.923 176.117 -0.033 0.000 1.026 454 I CA -0.885 60.393 61.300 -0.036 0.000 1.078 454 I CB 1.944 39.859 38.000 -0.142 0.000 1.249 454 I HN 0.118 nan 8.210 nan 0.000 0.429 455 V N 5.730 125.588 119.914 -0.094 0.000 2.448 455 V HA 0.581 4.701 4.120 0.001 0.000 0.295 455 V C -0.768 175.351 176.094 0.042 0.000 1.025 455 V CA -0.475 61.748 62.300 -0.129 0.000 0.859 455 V CB 1.472 33.114 31.823 -0.303 0.000 0.988 455 V HN 0.967 nan 8.190 nan 0.000 0.431 456 H N 1.526 120.627 119.070 0.050 0.000 3.014 456 H HA 0.569 5.126 4.556 0.001 0.000 0.337 456 H C -0.743 174.690 175.328 0.174 0.000 1.320 456 H CA -1.171 54.927 56.048 0.083 0.000 1.128 456 H CB 1.210 31.017 29.762 0.074 0.000 1.862 456 H HN 0.473 nan 8.280 nan 0.000 0.536 457 K N 1.626 122.215 120.400 0.315 0.000 2.448 457 K HA 0.096 4.416 4.320 0.001 0.000 0.278 457 K C -0.500 176.204 176.600 0.174 0.000 1.009 457 K CA -0.394 56.001 56.287 0.180 0.000 0.995 457 K CB 0.463 33.005 32.500 0.070 0.000 0.917 457 K HN 0.594 nan 8.250 nan 0.000 0.481 458 K N 1.783 122.188 120.400 0.008 0.000 2.436 458 K HA 0.017 4.337 4.320 0.001 0.000 0.275 458 K C 0.784 177.416 176.600 0.052 0.000 0.999 458 K CA 0.915 57.226 56.287 0.041 0.000 0.980 458 K CB 0.464 32.944 32.500 -0.033 0.000 0.919 458 K HN 0.949 nan 8.250 nan 0.000 0.484 459 G N 2.104 110.954 108.800 0.084 0.000 2.159 459 G HA2 -0.268 3.693 3.960 0.001 0.000 0.256 459 G HA3 -0.268 3.693 3.960 0.001 0.000 0.256 459 G C 0.272 175.184 174.900 0.021 0.000 0.977 459 G CA 0.318 45.441 45.100 0.039 0.000 0.652 459 G HN 0.733 nan 8.290 nan 0.000 0.531 460 I N -1.321 119.256 120.570 0.011 0.000 2.692 460 I HA 0.537 4.708 4.170 0.001 0.000 0.284 460 I C 0.475 176.575 176.117 -0.028 0.000 1.159 460 I CA -0.360 60.910 61.300 -0.049 0.000 1.423 460 I CB 0.477 38.317 38.000 -0.268 0.000 1.380 460 I HN -0.014 nan 8.210 nan 0.000 0.580 461 K N 6.147 126.584 120.400 0.061 0.000 2.276 461 K HA 0.391 4.711 4.320 0.001 0.000 0.283 461 K C -0.570 176.067 176.600 0.061 0.000 1.044 461 K CA -0.408 55.898 56.287 0.032 0.000 0.944 461 K CB 1.130 33.643 32.500 0.022 0.000 1.012 461 K HN 0.590 nan 8.250 nan 0.000 0.472 462 L N 4.621 125.795 121.223 -0.083 0.000 2.437 462 L HA 0.054 4.394 4.340 0.001 0.000 0.243 462 L C 0.149 176.944 176.870 -0.125 0.000 1.346 462 L CA -0.105 54.632 54.840 -0.171 0.000 1.233 462 L CB -0.653 41.188 42.059 -0.362 0.000 1.436 462 L HN 0.704 nan 8.230 nan 0.000 0.416 463 D N -0.792 119.553 120.400 -0.092 0.000 2.402 463 D HA 0.118 4.759 4.640 0.001 0.000 0.216 463 D C 1.333 177.555 176.300 -0.130 0.000 1.128 463 D CA 0.191 54.123 54.000 -0.112 0.000 0.833 463 D CB 0.689 41.423 40.800 -0.110 0.000 0.971 463 D HN 0.366 nan 8.370 nan 0.000 0.503 464 G N 0.705 109.434 108.800 -0.119 0.000 2.162 464 G HA2 -0.367 3.594 3.960 0.001 0.000 0.260 464 G HA3 -0.367 3.594 3.960 0.001 0.000 0.260 464 G C 1.122 175.942 174.900 -0.133 0.000 0.976 464 G CA 0.830 45.879 45.100 -0.086 0.000 0.655 464 G HN 0.707 nan 8.290 nan 0.000 0.533 465 S N -0.325 115.182 115.700 -0.320 0.000 2.528 465 S HA 0.178 4.648 4.470 0.001 0.000 0.219 465 S C 0.842 175.246 174.600 -0.326 0.000 0.985 465 S CA 0.232 58.224 58.200 -0.345 0.000 0.914 465 S CB -0.024 62.940 63.200 -0.393 0.000 0.776 465 S HN 0.612 nan 8.310 nan 0.000 0.526 466 H N 2.700 121.785 119.070 0.026 0.000 2.487 466 H HA 0.438 4.994 4.556 0.001 0.000 0.333 466 H C -2.871 172.513 175.328 0.093 0.000 1.114 466 H CA -2.298 53.775 56.048 0.041 0.000 1.310 466 H CB 0.335 30.124 29.762 0.045 0.000 1.462 466 H HN 0.198 nan 8.280 nan 0.000 0.516 467 P HA 0.209 nan 4.420 nan 0.000 0.271 467 P C -0.817 176.737 177.300 0.424 0.000 1.216 467 P CA -0.139 63.140 63.100 0.298 0.000 0.776 467 P CB 0.764 32.632 31.700 0.280 0.000 0.881 468 A N 2.852 125.968 122.820 0.494 0.000 2.413 468 A HA 0.740 5.061 4.320 0.001 0.000 0.307 468 A C -1.723 176.162 177.584 0.502 0.000 1.087 468 A CA -0.514 51.830 52.037 0.512 0.000 0.750 468 A CB 0.966 20.151 19.000 0.309 0.000 1.296 468 A HN 0.454 nan 8.150 nan 0.000 0.423 469 F N 2.277 122.403 119.950 0.294 0.000 2.500 469 F HA 0.582 5.110 4.527 0.001 0.000 0.349 469 F C -1.095 174.785 175.800 0.132 0.000 1.127 469 F CA -0.861 57.179 58.000 0.068 0.000 0.998 469 F CB 1.559 40.444 39.000 -0.192 0.000 1.237 469 F HN 0.482 nan 8.300 nan 0.000 0.439 470 L N 8.211 129.400 121.223 -0.057 0.000 2.305 470 L HA 0.484 4.824 4.340 0.001 0.000 0.284 470 L C -1.983 174.977 176.870 0.150 0.000 1.013 470 L CA -0.675 54.200 54.840 0.058 0.000 0.819 470 L CB 0.869 42.874 42.059 -0.090 0.000 1.227 470 L HN 0.586 nan 8.230 nan 0.000 0.417 471 Y N 4.295 124.730 120.300 0.225 0.000 2.409 471 Y HA 0.834 5.385 4.550 0.001 0.000 0.339 471 Y C 0.076 176.201 175.900 0.377 0.000 1.033 471 Y CA -0.056 58.203 58.100 0.265 0.000 1.094 471 Y CB 1.921 40.558 38.460 0.294 0.000 1.210 471 Y HN 0.769 nan 8.280 nan 0.000 0.456 472 G N 3.342 111.782 108.800 -0.600 0.000 2.692 472 G HA2 0.307 4.267 3.960 0.001 0.000 0.291 472 G HA3 0.307 4.267 3.960 0.001 0.000 0.291 472 G C -1.988 172.462 174.900 -0.751 0.000 1.423 472 G CA -0.453 44.310 45.100 -0.561 0.000 0.843 472 G HN 0.655 nan 8.290 nan 0.000 0.486 473 Y N 0.224 120.242 120.300 -0.470 0.000 3.224 473 Y HA 0.469 5.020 4.550 0.001 0.000 0.184 473 Y C 1.520 177.281 175.900 -0.231 0.000 0.891 473 Y CA 1.501 59.412 58.100 -0.314 0.000 1.736 473 Y CB 0.487 38.880 38.460 -0.112 0.000 1.411 473 Y HN 1.654 nan 8.280 nan 0.000 0.402 474 G N 1.029 109.769 108.800 -0.100 0.000 2.546 474 G HA2 0.340 4.301 3.960 0.001 0.000 0.285 474 G HA3 0.340 4.301 3.960 0.001 0.000 0.285 474 G C -0.016 174.696 174.900 -0.313 0.000 1.105 474 G CA 0.447 45.428 45.100 -0.198 0.000 1.189 474 G HN 1.339 nan 8.290 nan 0.000 0.534 475 G N -1.291 107.438 108.800 -0.118 0.000 2.338 475 G HA2 0.636 4.596 3.960 0.001 0.000 0.295 475 G HA3 0.636 4.596 3.960 0.001 0.000 0.295 475 G C 0.001 174.983 174.900 0.136 0.000 1.461 475 G CA 0.205 45.207 45.100 -0.163 0.000 0.817 475 G HN 1.441 nan 8.290 nan 0.000 0.556 476 F N -0.362 119.547 119.950 -0.070 0.000 3.084 476 F HA -0.248 4.279 4.527 0.001 0.000 0.286 476 F C 1.342 176.931 175.800 -0.351 0.000 0.855 476 F CA 1.336 59.225 58.000 -0.185 0.000 1.091 476 F CB -1.508 37.453 39.000 -0.065 0.000 1.177 476 F HN 1.091 nan 8.300 nan 0.000 0.542 477 N N -0.664 117.761 118.700 -0.458 0.000 2.753 477 N HA -0.209 4.531 4.740 0.001 0.000 0.251 477 N C -0.442 175.053 175.510 -0.026 0.000 1.097 477 N CA 1.060 53.929 53.050 -0.300 0.000 0.786 477 N CB -0.631 37.613 38.487 -0.404 0.000 1.137 477 N HN 0.347 nan 8.380 nan 0.000 0.566 478 I N 0.942 121.563 120.570 0.084 0.000 2.416 478 I HA 0.153 4.323 4.170 0.001 0.000 0.288 478 I C 0.538 176.716 176.117 0.103 0.000 1.051 478 I CA -0.056 61.285 61.300 0.069 0.000 1.375 478 I CB 0.947 38.952 38.000 0.008 0.000 1.407 478 I HN 0.058 nan 8.210 nan 0.000 0.516 479 S N 6.922 122.655 115.700 0.055 0.000 2.475 479 S HA 0.483 4.953 4.470 0.001 0.000 0.281 479 S C 0.155 174.805 174.600 0.083 0.000 1.198 479 S CA -0.555 57.687 58.200 0.070 0.000 1.063 479 S CB 1.170 64.378 63.200 0.014 0.000 0.972 479 S HN 0.254 nan 8.310 nan 0.000 0.486 480 I N 4.733 125.393 120.570 0.150 0.000 2.282 480 I HA 0.201 4.372 4.170 0.001 0.000 0.290 480 I C 1.013 177.262 176.117 0.220 0.000 1.090 480 I CA -0.219 61.199 61.300 0.198 0.000 1.231 480 I CB -0.631 37.561 38.000 0.322 0.000 1.434 480 I HN 0.600 nan 8.210 nan 0.000 0.487 481 T N 4.154 118.777 114.554 0.115 0.000 2.952 481 T HA 0.631 4.982 4.350 0.001 0.000 0.286 481 T C -2.690 171.906 174.700 -0.174 0.000 1.024 481 T CA -2.266 59.869 62.100 0.058 0.000 1.029 481 T CB 1.597 70.471 68.868 0.010 0.000 1.094 481 T HN 0.146 nan 8.240 nan 0.000 0.515 482 P HA 0.304 nan 4.420 nan 0.000 0.264 482 P C -0.730 176.113 177.300 -0.761 0.000 1.183 482 P CA 0.101 62.424 63.100 -1.294 0.000 0.763 482 P CB 0.216 31.070 31.700 -1.410 0.000 0.807 483 N N 1.670 119.963 118.700 -0.679 0.000 2.396 483 N HA 0.232 4.972 4.740 0.001 0.000 0.275 483 N C -1.986 173.469 175.510 -0.092 0.000 1.218 483 N CA -0.764 52.124 53.050 -0.271 0.000 0.812 483 N CB 0.817 39.225 38.487 -0.132 0.000 1.592 483 N HN 0.167 nan 8.380 nan 0.000 0.480 484 Y N 1.519 121.756 120.300 -0.105 0.000 2.436 484 Y HA 0.419 4.970 4.550 0.001 0.000 0.343 484 Y C -0.221 175.710 175.900 0.052 0.000 1.008 484 Y CA 0.161 58.253 58.100 -0.013 0.000 1.241 484 Y CB 0.494 38.951 38.460 -0.005 0.000 1.153 484 Y HN 0.372 nan 8.280 nan 0.000 0.521 485 S N 5.756 121.213 115.700 -0.405 0.000 2.667 485 S HA 0.308 4.779 4.470 0.001 0.000 0.304 485 S C 0.452 174.753 174.600 -0.498 0.000 1.135 485 S CA -0.718 57.291 58.200 -0.320 0.000 1.125 485 S CB 0.605 63.707 63.200 -0.163 0.000 0.996 485 S HN 0.674 nan 8.310 nan 0.000 0.474 486 V N 4.901 124.567 119.914 -0.414 0.000 2.332 486 V HA -0.157 3.963 4.120 0.001 0.000 0.248 486 V C 2.696 178.668 176.094 -0.204 0.000 1.055 486 V CA 2.597 64.742 62.300 -0.258 0.000 1.038 486 V CB -0.823 31.076 31.823 0.126 0.000 0.651 486 V HN 0.988 nan 8.190 nan 0.000 0.450 487 S N 0.237 115.836 115.700 -0.168 0.000 2.368 487 S HA -0.252 4.218 4.470 0.001 0.000 0.225 487 S C 2.057 176.510 174.600 -0.245 0.000 1.030 487 S CA 1.337 59.479 58.200 -0.097 0.000 0.999 487 S CB -0.410 62.817 63.200 0.044 0.000 0.844 487 S HN 0.446 nan 8.310 nan 0.000 0.459 488 R N 1.248 121.602 120.500 -0.244 0.000 2.115 488 R HA 0.358 4.699 4.340 0.001 0.000 0.226 488 R C 2.260 178.435 176.300 -0.209 0.000 1.100 488 R CA 0.917 56.857 56.100 -0.267 0.000 0.980 488 R CB -1.074 29.103 30.300 -0.206 0.000 0.875 488 R HN 0.461 nan 8.270 nan 0.000 0.445 489 L N -0.283 120.784 121.223 -0.261 0.000 2.201 489 L HA -0.079 4.262 4.340 0.001 0.000 0.212 489 L C 1.920 178.645 176.870 -0.242 0.000 1.105 489 L CA 0.945 55.602 54.840 -0.304 0.000 0.775 489 L CB -0.323 41.521 42.059 -0.359 0.000 0.913 489 L HN 0.139 nan 8.230 nan 0.000 0.440 490 I N -0.982 119.472 120.570 -0.193 0.000 2.252 490 I HA -0.317 3.853 4.170 0.001 0.000 0.245 490 I C 2.432 178.491 176.117 -0.096 0.000 1.102 490 I CA 1.210 62.439 61.300 -0.118 0.000 1.385 490 I CB -0.268 37.566 38.000 -0.277 0.000 1.064 490 I HN 0.138 nan 8.210 nan 0.000 0.414 491 F N 1.361 121.119 119.950 -0.321 0.000 2.091 491 F HA -0.251 4.277 4.527 0.001 0.000 0.299 491 F C 2.302 178.024 175.800 -0.129 0.000 1.103 491 F CA 1.762 59.612 58.000 -0.249 0.000 1.228 491 F CB -0.524 38.247 39.000 -0.382 0.000 0.984 491 F HN -0.199 nan 8.300 nan 0.000 0.477 492 V N 0.670 120.453 119.914 -0.217 0.000 2.237 492 V HA -0.291 3.829 4.120 0.001 0.000 0.245 492 V C 2.512 178.457 176.094 -0.248 0.000 1.046 492 V CA 2.332 64.475 62.300 -0.263 0.000 1.007 492 V CB -0.844 30.838 31.823 -0.235 0.000 0.638 492 V HN 0.281 nan 8.190 nan 0.000 0.445 493 R N -0.335 120.007 120.500 -0.263 0.000 2.062 493 R HA -0.097 4.243 4.340 0.001 0.000 0.229 493 R C 2.121 178.080 176.300 -0.569 0.000 1.128 493 R CA 1.816 57.717 56.100 -0.333 0.000 0.960 493 R CB -0.532 29.537 30.300 -0.385 0.000 0.855 493 R HN 0.639 nan 8.270 nan 0.000 0.432 494 H N -1.459 117.347 119.070 -0.441 0.000 2.622 494 H HA 0.279 4.835 4.556 0.001 0.000 0.269 494 H C 0.701 175.601 175.328 -0.715 0.000 0.977 494 H CA 0.605 56.162 56.048 -0.818 0.000 1.179 494 H CB 0.609 29.531 29.762 -1.400 0.000 1.458 494 H HN 0.238 nan 8.280 nan 0.000 0.531 495 M N -1.039 118.360 119.600 -0.336 0.000 2.340 495 M HA 0.232 4.713 4.480 0.001 0.000 0.345 495 M C 0.894 177.010 176.300 -0.306 0.000 1.008 495 M CA 0.112 55.281 55.300 -0.218 0.000 0.987 495 M CB 1.765 34.346 32.600 -0.032 0.000 1.598 495 M HN 0.210 nan 8.290 nan 0.000 0.569 496 G N 1.288 109.899 108.800 -0.314 0.000 2.198 496 G HA2 -0.199 3.761 3.960 0.001 0.000 0.260 496 G HA3 -0.199 3.761 3.960 0.001 0.000 0.260 496 G C 0.232 174.968 174.900 -0.273 0.000 1.025 496 G CA 0.043 45.014 45.100 -0.216 0.000 0.769 496 G HN 0.613 nan 8.290 nan 0.000 0.507 497 G N -1.648 106.800 108.800 -0.588 0.000 2.504 497 G HA2 0.657 4.618 3.960 0.001 0.000 0.288 497 G HA3 0.657 4.618 3.960 0.001 0.000 0.288 497 G C -0.256 174.554 174.900 -0.149 0.000 1.182 497 G CA -0.111 44.548 45.100 -0.735 0.000 0.894 497 G HN 0.895 nan 8.290 nan 0.000 0.521 498 V N 1.108 121.116 119.914 0.157 0.000 2.459 498 V HA 0.414 4.535 4.120 0.001 0.000 0.295 498 V C 0.064 176.376 176.094 0.364 0.000 1.029 498 V CA -0.506 61.932 62.300 0.231 0.000 0.874 498 V CB 1.359 33.316 31.823 0.223 0.000 0.985 498 V HN 0.525 nan 8.190 nan 0.000 0.438 499 L N 4.090 125.456 121.223 0.239 0.000 2.322 499 L HA 0.930 5.271 4.340 0.001 0.000 0.279 499 L C 0.137 177.071 176.870 0.106 0.000 1.036 499 L CA -0.395 54.578 54.840 0.222 0.000 0.807 499 L CB 1.648 43.756 42.059 0.081 0.000 1.226 499 L HN 0.740 nan 8.230 nan 0.000 0.433 500 A N 2.512 125.430 122.820 0.163 0.000 2.486 500 A HA 0.811 5.131 4.320 0.001 0.000 0.300 500 A C -1.314 176.407 177.584 0.228 0.000 1.048 500 A CA -0.479 51.623 52.037 0.108 0.000 0.696 500 A CB 2.041 21.070 19.000 0.048 0.000 1.278 500 A HN 0.360 nan 8.150 nan 0.000 0.405 501 V N 1.484 121.553 119.914 0.258 0.000 2.443 501 V HA 0.667 4.787 4.120 0.001 0.000 0.293 501 V C 0.283 176.583 176.094 0.344 0.000 1.021 501 V CA -0.263 62.285 62.300 0.413 0.000 0.848 501 V CB 1.455 33.605 31.823 0.544 0.000 0.998 501 V HN 1.367 nan 8.190 nan 0.000 0.424 502 A N 3.536 126.580 122.820 0.373 0.000 2.260 502 A HA 0.561 4.881 4.320 0.001 0.000 0.308 502 A C 0.179 177.969 177.584 0.343 0.000 1.254 502 A CA -0.511 51.738 52.037 0.353 0.000 0.874 502 A CB -0.056 19.197 19.000 0.422 0.000 1.153 502 A HN 0.887 nan 8.150 nan 0.000 0.527 503 N N 2.456 121.321 118.700 0.275 0.000 3.303 503 N HA 0.236 4.976 4.740 0.001 0.000 0.304 503 N C 0.362 176.146 175.510 0.457 0.000 1.302 503 N CA -0.172 53.058 53.050 0.300 0.000 1.213 503 N CB -0.153 38.429 38.487 0.158 0.000 1.481 503 N HN 0.798 nan 8.380 nan 0.000 0.546 504 I N -2.519 118.252 120.570 0.335 0.000 3.060 504 I HA 0.183 4.353 4.170 0.001 0.000 0.285 504 I C 0.611 176.736 176.117 0.013 0.000 1.190 504 I CA -0.772 60.643 61.300 0.191 0.000 1.363 504 I CB 0.769 38.833 38.000 0.106 0.000 1.396 504 I HN 0.087 nan 8.210 nan 0.000 0.607 505 R N 1.660 121.890 120.500 -0.449 0.000 2.774 505 R HA 0.300 4.640 4.340 0.001 0.000 0.269 505 R C 1.145 177.160 176.300 -0.474 0.000 1.068 505 R CA 1.023 56.570 56.100 -0.922 0.000 1.180 505 R CB 0.214 29.917 30.300 -0.995 0.000 1.077 505 R HN 1.079 nan 8.270 nan 0.000 0.513 506 G N -0.034 108.532 108.800 -0.391 0.000 2.317 506 G HA2 -0.252 3.709 3.960 0.001 0.000 0.227 506 G HA3 -0.252 3.709 3.960 0.001 0.000 0.227 506 G C 0.550 175.489 174.900 0.065 0.000 1.042 506 G CA -0.154 44.845 45.100 -0.168 0.000 0.623 506 G HN 0.891 nan 8.290 nan 0.000 0.509 507 G N -0.323 108.561 108.800 0.140 0.000 2.611 507 G HA2 0.538 4.498 3.960 0.001 0.000 0.273 507 G HA3 0.538 4.498 3.960 0.001 0.000 0.273 507 G C 1.110 176.229 174.900 0.366 0.000 1.305 507 G CA 0.320 45.594 45.100 0.290 0.000 1.010 507 G HN 1.342 nan 8.290 nan 0.000 0.509 508 G N -1.521 107.423 108.800 0.240 0.000 3.233 508 G HA2 0.236 4.196 3.960 0.001 0.000 0.234 508 G HA3 0.236 4.196 3.960 0.001 0.000 0.234 508 G C 1.059 176.002 174.900 0.072 0.000 1.137 508 G CA 0.197 45.402 45.100 0.175 0.000 0.763 508 G HN 0.536 nan 8.290 nan 0.000 0.549 509 E N 0.093 120.272 120.200 -0.036 0.000 2.118 509 E HA -0.098 4.252 4.350 0.001 0.000 0.195 509 E C 0.252 176.345 176.600 -0.845 0.000 0.992 509 E CA 1.020 57.128 56.400 -0.487 0.000 0.804 509 E CB -0.141 29.166 29.700 -0.656 0.000 0.741 509 E HN 0.576 nan 8.360 nan 0.000 0.458 510 Y N -0.295 119.760 120.300 -0.407 0.000 2.722 510 Y HA 0.439 4.990 4.550 0.001 0.000 0.314 510 Y C 0.820 176.781 175.900 0.100 0.000 1.008 510 Y CA -0.084 57.879 58.100 -0.228 0.000 1.294 510 Y CB 0.671 38.832 38.460 -0.499 0.000 1.231 510 Y HN 0.108 nan 8.280 nan 0.000 0.558 511 G N 0.564 109.503 108.800 0.232 0.000 2.642 511 G HA2 -0.362 3.599 3.960 0.001 0.000 0.231 511 G HA3 -0.362 3.599 3.960 0.001 0.000 0.231 511 G C 0.701 175.798 174.900 0.328 0.000 1.338 511 G CA 0.255 45.537 45.100 0.304 0.000 0.883 511 G HN 0.304 nan 8.290 nan 0.000 0.570 512 E N -0.337 120.013 120.200 0.249 0.000 2.204 512 E HA -0.057 4.293 4.350 0.001 0.000 0.194 512 E C 2.800 179.504 176.600 0.174 0.000 0.989 512 E CA 2.620 59.146 56.400 0.210 0.000 0.824 512 E CB -0.559 29.187 29.700 0.077 0.000 0.756 512 E HN 0.961 nan 8.360 nan 0.000 0.477 513 T N -2.440 112.218 114.554 0.175 0.000 2.867 513 T HA -0.162 4.189 4.350 0.001 0.000 0.268 513 T C 1.861 176.683 174.700 0.204 0.000 1.057 513 T CA 0.939 63.124 62.100 0.143 0.000 1.136 513 T CB -0.839 68.111 68.868 0.136 0.000 0.874 513 T HN 0.398 nan 8.240 nan 0.000 0.466 514 W N 1.613 122.968 121.300 0.092 0.000 2.381 514 W HA -0.151 4.509 4.660 0.001 0.000 0.301 514 W C 2.379 178.941 176.519 0.073 0.000 1.205 514 W CA 1.420 58.825 57.345 0.100 0.000 1.285 514 W CB -0.426 29.141 29.460 0.179 0.000 1.133 514 W HN 0.524 nan 8.180 nan 0.000 0.521 515 H N 0.597 119.747 119.070 0.134 0.000 2.293 515 H HA -0.156 4.401 4.556 0.001 0.000 0.300 515 H C 2.095 177.334 175.328 -0.148 0.000 1.082 515 H CA 1.758 57.792 56.048 -0.023 0.000 1.308 515 H CB -0.110 29.668 29.762 0.026 0.000 1.375 515 H HN 0.038 nan 8.280 nan 0.000 0.495 516 K N -0.064 120.175 120.400 -0.269 0.000 2.280 516 K HA -0.068 4.252 4.320 0.001 0.000 0.202 516 K C 2.149 178.556 176.600 -0.322 0.000 1.047 516 K CA 0.708 56.781 56.287 -0.357 0.000 0.942 516 K CB -0.051 32.318 32.500 -0.219 0.000 0.739 516 K HN 0.379 nan 8.250 nan 0.000 0.457 517 G N 0.326 108.951 108.800 -0.292 0.000 2.679 517 G HA2 -0.096 3.864 3.960 0.001 0.000 0.212 517 G HA3 -0.096 3.864 3.960 0.001 0.000 0.212 517 G C 0.814 175.455 174.900 -0.432 0.000 1.137 517 G CA 0.613 45.499 45.100 -0.358 0.000 0.787 517 G HN 0.373 nan 8.290 nan 0.000 0.534 518 G N 0.145 108.682 108.800 -0.439 0.000 4.552 518 G HA2 0.505 4.466 3.960 0.001 0.000 0.281 518 G HA3 0.505 4.466 3.960 0.001 0.000 0.281 518 G C -0.072 174.545 174.900 -0.471 0.000 1.037 518 G CA -0.246 44.574 45.100 -0.467 0.000 0.806 518 G HN 0.507 nan 8.290 nan 0.000 0.495 519 I N -3.465 116.820 120.570 -0.475 0.000 3.074 519 I HA 0.748 4.918 4.170 0.001 0.000 0.310 519 I C 0.690 176.520 176.117 -0.478 0.000 1.153 519 I CA -1.271 59.750 61.300 -0.465 0.000 0.993 519 I CB 1.571 39.252 38.000 -0.531 0.000 1.237 519 I HN 0.081 nan 8.210 nan 0.000 0.443 520 L N 0.683 121.656 121.223 -0.417 0.000 6.412 520 L HA -0.377 3.963 4.340 0.001 0.000 0.053 520 L C 1.881 177.968 176.870 -1.306 0.000 2.199 520 L CA 1.205 55.632 54.840 -0.689 0.000 1.611 520 L CB -1.775 39.928 42.059 -0.595 0.000 2.801 520 L HN 0.976 nan 8.230 nan 0.000 1.044 521 A N -0.401 121.228 122.820 -1.985 0.000 2.070 521 A HA -0.104 4.216 4.320 0.001 0.000 0.220 521 A C 1.362 178.461 177.584 -0.809 0.000 1.159 521 A CA 2.150 53.099 52.037 -1.814 0.000 0.656 521 A CB -0.587 17.778 19.000 -1.058 0.000 0.800 521 A HN 0.649 nan 8.150 nan 0.000 0.453 522 N N -0.926 117.397 118.700 -0.629 0.000 2.251 522 N HA 0.034 4.774 4.740 0.001 0.000 0.217 522 N C 1.088 176.324 175.510 -0.457 0.000 1.124 522 N CA 0.251 53.037 53.050 -0.441 0.000 0.843 522 N CB 0.607 38.867 38.487 -0.378 0.000 1.024 522 N HN 0.411 nan 8.380 nan 0.000 0.501 523 K N 1.525 121.629 120.400 -0.494 0.000 2.152 523 K HA -0.159 4.162 4.320 0.001 0.000 0.206 523 K C 1.903 178.018 176.600 -0.808 0.000 1.048 523 K CA 1.216 57.128 56.287 -0.626 0.000 0.933 523 K CB 0.006 32.153 32.500 -0.588 0.000 0.721 523 K HN -0.054 nan 8.250 nan 0.000 0.447 524 Q N 0.790 120.307 119.800 -0.473 0.000 2.234 524 Q HA -0.140 4.201 4.340 0.001 0.000 0.206 524 Q C 1.331 177.157 176.000 -0.290 0.000 0.980 524 Q CA 1.740 57.404 55.803 -0.231 0.000 0.869 524 Q CB -0.397 28.334 28.738 -0.012 0.000 0.912 524 Q HN 0.386 nan 8.270 nan 0.000 0.436 525 N N -0.638 117.854 118.700 -0.346 0.000 2.094 525 N HA -0.180 4.560 4.740 0.001 0.000 0.191 525 N C 1.650 176.952 175.510 -0.347 0.000 1.023 525 N CA 1.640 54.506 53.050 -0.307 0.000 0.857 525 N CB -0.835 37.448 38.487 -0.339 0.000 1.013 525 N HN 0.388 nan 8.380 nan 0.000 0.426 526 C N 0.225 119.186 119.300 -0.566 0.000 2.413 526 C HA -0.082 4.378 4.460 0.001 0.000 0.276 526 C C 2.475 177.262 174.990 -0.339 0.000 1.236 526 C CA 0.211 58.898 59.018 -0.551 0.000 1.735 526 C CB -1.595 25.653 27.740 -0.821 0.000 2.031 526 C HN 0.286 nan 8.230 nan 0.000 0.474 527 F N 1.625 121.498 119.950 -0.129 0.000 2.146 527 F HA -0.056 4.471 4.527 0.001 0.000 0.298 527 F C 2.164 178.001 175.800 0.062 0.000 1.096 527 F CA 1.224 59.205 58.000 -0.031 0.000 1.275 527 F CB -1.245 37.707 39.000 -0.081 0.000 1.008 527 F HN 0.195 nan 8.300 nan 0.000 0.480 528 D N 0.385 120.876 120.400 0.152 0.000 2.097 528 D HA -0.152 4.489 4.640 0.001 0.000 0.195 528 D C 1.812 178.201 176.300 0.149 0.000 0.989 528 D CA 1.468 55.541 54.000 0.121 0.000 0.827 528 D CB -0.512 40.315 40.800 0.046 0.000 0.966 528 D HN 0.181 nan 8.370 nan 0.000 0.456 529 D N -0.237 120.233 120.400 0.117 0.000 2.123 529 D HA -0.151 4.489 4.640 0.001 0.000 0.196 529 D C 1.829 178.347 176.300 0.363 0.000 0.992 529 D CA 0.511 54.640 54.000 0.215 0.000 0.833 529 D CB -0.445 40.414 40.800 0.097 0.000 0.954 529 D HN 0.145 nan 8.370 nan 0.000 0.455 530 F N 1.374 121.398 119.950 0.125 0.000 2.146 530 F HA -0.103 4.424 4.527 0.001 0.000 0.298 530 F C 2.405 178.292 175.800 0.146 0.000 1.096 530 F CA 1.218 59.290 58.000 0.120 0.000 1.275 530 F CB -0.266 38.775 39.000 0.069 0.000 1.008 530 F HN -0.073 nan 8.300 nan 0.000 0.480 531 Q N -1.243 118.697 119.800 0.234 0.000 2.124 531 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 531 Q C 2.426 178.440 176.000 0.024 0.000 0.977 531 Q CA 1.921 57.812 55.803 0.147 0.000 0.850 531 Q CB -0.574 28.267 28.738 0.171 0.000 0.901 531 Q HN 0.408 nan 8.270 nan 0.000 0.429 532 C N 0.075 119.420 119.300 0.074 0.000 2.435 532 C HA -0.055 4.405 4.460 0.001 0.000 0.279 532 C C 2.802 177.627 174.990 -0.275 0.000 1.321 532 C CA 0.524 59.568 59.018 0.044 0.000 1.752 532 C CB -1.146 26.754 27.740 0.267 0.000 1.959 532 C HN 0.620 nan 8.230 nan 0.000 0.500 533 A N 0.862 123.402 122.820 -0.467 0.000 1.877 533 A HA 0.008 4.328 4.320 0.001 0.000 0.216 533 A C 2.402 179.756 177.584 -0.383 0.000 1.186 533 A CA 2.181 53.741 52.037 -0.795 0.000 0.620 533 A CB -1.029 17.690 19.000 -0.469 0.000 0.822 533 A HN 0.559 nan 8.150 nan 0.000 0.443 534 A N -0.226 122.428 122.820 -0.277 0.000 1.883 534 A HA -0.229 4.092 4.320 0.001 0.000 0.217 534 A C 1.921 179.443 177.584 -0.104 0.000 1.186 534 A CA 1.851 53.802 52.037 -0.143 0.000 0.624 534 A CB -0.656 18.320 19.000 -0.039 0.000 0.822 534 A HN 0.651 nan 8.150 nan 0.000 0.444 535 E N -1.869 118.267 120.200 -0.107 0.000 2.110 535 E HA -0.215 4.136 4.350 0.001 0.000 0.193 535 E C 1.844 178.424 176.600 -0.034 0.000 0.988 535 E CA 1.424 57.781 56.400 -0.071 0.000 0.804 535 E CB -0.309 29.363 29.700 -0.046 0.000 0.745 535 E HN 0.803 nan 8.360 nan 0.000 0.458 536 Y N 1.416 121.613 120.300 -0.171 0.000 2.114 536 Y HA -0.226 4.325 4.550 0.001 0.000 0.284 536 Y C 1.943 177.831 175.900 -0.020 0.000 1.143 536 Y CA 1.516 59.545 58.100 -0.119 0.000 1.135 536 Y CB -0.209 38.096 38.460 -0.259 0.000 0.980 536 Y HN -0.064 nan 8.280 nan 0.000 0.499 537 L N -0.380 120.920 121.223 0.129 0.000 2.079 537 L HA -0.253 4.087 4.340 0.001 0.000 0.210 537 L C 2.375 179.307 176.870 0.104 0.000 1.081 537 L CA 1.557 56.496 54.840 0.164 0.000 0.752 537 L CB -0.602 41.518 42.059 0.102 0.000 0.896 537 L HN 0.307 nan 8.230 nan 0.000 0.433 538 I N -0.378 120.198 120.570 0.010 0.000 2.193 538 I HA -0.271 3.900 4.170 0.001 0.000 0.240 538 I C 2.722 178.801 176.117 -0.063 0.000 1.084 538 I CA 1.245 62.534 61.300 -0.020 0.000 1.365 538 I CB -0.285 37.686 38.000 -0.048 0.000 1.064 538 I HN 0.180 nan 8.210 nan 0.000 0.410 539 K N 0.733 121.072 120.400 -0.103 0.000 2.103 539 K HA -0.194 4.126 4.320 0.001 0.000 0.207 539 K C 1.695 178.192 176.600 -0.172 0.000 1.048 539 K CA 1.381 57.591 56.287 -0.127 0.000 0.930 539 K CB 0.108 32.532 32.500 -0.127 0.000 0.716 539 K HN 0.195 nan 8.250 nan 0.000 0.444 540 E N -0.893 119.155 120.200 -0.253 0.000 2.502 540 E HA 0.013 4.363 4.350 0.001 0.000 0.194 540 E C 0.917 177.353 176.600 -0.274 0.000 1.062 540 E CA 0.790 57.018 56.400 -0.286 0.000 0.867 540 E CB 0.696 30.140 29.700 -0.428 0.000 0.888 540 E HN 0.593 nan 8.360 nan 0.000 0.510 541 G N 0.795 109.491 108.800 -0.173 0.000 2.141 541 G HA2 -0.326 3.635 3.960 0.001 0.000 0.231 541 G HA3 -0.326 3.635 3.960 0.001 0.000 0.231 541 G C 0.657 175.470 174.900 -0.144 0.000 0.984 541 G CA 0.303 45.304 45.100 -0.163 0.000 0.660 541 G HN 0.290 nan 8.290 nan 0.000 0.525 542 Y N 0.197 120.496 120.300 -0.003 0.000 2.314 542 Y HA 0.340 4.890 4.550 0.001 0.000 0.293 542 Y C 2.040 178.021 175.900 0.135 0.000 1.129 542 Y CA 2.075 60.214 58.100 0.066 0.000 1.201 542 Y CB 0.260 38.747 38.460 0.045 0.000 0.999 542 Y HN 0.420 nan 8.280 nan 0.000 0.541 543 T N -2.376 112.303 114.554 0.207 0.000 2.653 543 T HA 0.580 4.930 4.350 0.001 0.000 0.306 543 T C -1.338 173.400 174.700 0.063 0.000 1.426 543 T CA -0.678 61.511 62.100 0.149 0.000 1.008 543 T CB 1.022 70.005 68.868 0.192 0.000 1.692 543 T HN -0.139 nan 8.240 nan 0.000 0.483 544 S N 0.884 116.614 115.700 0.050 0.000 2.588 544 S HA 0.529 4.999 4.470 0.001 0.000 0.275 544 S C -2.153 172.457 174.600 0.016 0.000 1.130 544 S CA -0.995 57.211 58.200 0.011 0.000 0.855 544 S CB 2.006 65.202 63.200 -0.005 0.000 1.116 544 S HN 0.535 nan 8.310 nan 0.000 0.472 545 P HA -0.207 nan 4.420 nan 0.000 0.216 545 P C 1.272 178.580 177.300 0.014 0.000 1.157 545 P CA 1.486 64.561 63.100 -0.042 0.000 0.880 545 P CB -0.014 31.632 31.700 -0.090 0.000 0.791 546 K N -0.029 120.382 120.400 0.018 0.000 2.360 546 K HA -0.081 4.240 4.320 0.001 0.000 0.201 546 K C 1.504 178.147 176.600 0.072 0.000 1.046 546 K CA 1.181 57.492 56.287 0.041 0.000 0.945 546 K CB -0.287 32.229 32.500 0.027 0.000 0.750 546 K HN 0.114 nan 8.250 nan 0.000 0.464 547 R N 0.501 121.052 120.500 0.085 0.000 2.397 547 R HA 0.214 4.554 4.340 0.001 0.000 0.241 547 R C -0.344 176.063 176.300 0.179 0.000 0.914 547 R CA -0.422 55.755 56.100 0.129 0.000 1.071 547 R CB 0.243 30.614 30.300 0.118 0.000 1.116 547 R HN 0.073 nan 8.270 nan 0.000 0.524 548 L N 1.152 122.469 121.223 0.157 0.000 2.275 548 L HA 0.333 4.673 4.340 0.001 0.000 0.288 548 L C -0.683 176.290 176.870 0.171 0.000 1.046 548 L CA 0.251 55.199 54.840 0.179 0.000 0.805 548 L CB 1.774 43.931 42.059 0.163 0.000 1.193 548 L HN -0.131 nan 8.230 nan 0.000 0.426 549 T N 6.734 121.358 114.554 0.116 0.000 2.824 549 T HA 0.615 4.966 4.350 0.001 0.000 0.280 549 T C -0.162 174.416 174.700 -0.203 0.000 0.995 549 T CA -0.240 61.847 62.100 -0.021 0.000 1.009 549 T CB 0.819 69.661 68.868 -0.044 0.000 0.955 549 T HN 0.596 nan 8.240 nan 0.000 0.452 550 I N 1.125 121.545 120.570 -0.249 0.000 2.562 550 I HA 0.704 4.874 4.170 0.001 0.000 0.301 550 I C -0.445 175.474 176.117 -0.330 0.000 1.003 550 I CA -0.807 60.314 61.300 -0.298 0.000 1.127 550 I CB 1.962 39.782 38.000 -0.300 0.000 1.304 550 I HN 0.487 nan 8.210 nan 0.000 0.446 551 N N 2.991 121.513 118.700 -0.296 0.000 2.264 551 N HA 0.727 5.468 4.740 0.001 0.000 0.288 551 N C -1.295 174.127 175.510 -0.147 0.000 1.094 551 N CA -0.389 52.534 53.050 -0.211 0.000 0.817 551 N CB 2.750 41.062 38.487 -0.291 0.000 1.604 551 N HN 1.104 nan 8.380 nan 0.000 0.473 552 G N 0.129 108.852 108.800 -0.128 0.000 2.673 552 G HA2 0.602 4.562 3.960 0.001 0.000 0.292 552 G HA3 0.602 4.562 3.960 0.001 0.000 0.292 552 G C -1.482 173.396 174.900 -0.037 0.000 1.450 552 G CA -0.629 44.343 45.100 -0.214 0.000 0.837 552 G HN 0.572 nan 8.290 nan 0.000 0.505 553 G N -0.843 107.981 108.800 0.041 0.000 2.513 553 G HA2 0.843 4.804 3.960 0.001 0.000 0.317 553 G HA3 0.843 4.804 3.960 0.001 0.000 0.317 553 G C 0.559 175.492 174.900 0.054 0.000 1.277 553 G CA 1.107 46.228 45.100 0.034 0.000 0.955 553 G HN 2.275 nan 8.290 nan 0.000 0.484 554 A N 2.476 125.295 122.820 -0.003 0.000 5.090 554 A HA -0.348 3.972 4.320 0.001 0.000 0.306 554 A C 2.073 179.590 177.584 -0.112 0.000 1.990 554 A CA 2.104 54.145 52.037 0.007 0.000 0.714 554 A CB -1.597 17.487 19.000 0.139 0.000 1.281 554 A HN 1.731 nan 8.150 nan 0.000 0.362 555 N N 0.746 119.353 118.700 -0.155 0.000 2.205 555 N HA 0.043 4.783 4.740 0.001 0.000 0.186 555 N C 1.610 176.900 175.510 -0.367 0.000 1.015 555 N CA 2.926 55.807 53.050 -0.281 0.000 0.862 555 N CB -0.692 37.513 38.487 -0.470 0.000 0.986 555 N HN 1.090 nan 8.380 nan 0.000 0.429 556 G N -1.095 107.544 108.800 -0.268 0.000 2.448 556 G HA2 -0.066 3.894 3.960 0.001 0.000 0.218 556 G HA3 -0.066 3.894 3.960 0.001 0.000 0.218 556 G C 1.442 176.208 174.900 -0.223 0.000 1.135 556 G CA 0.562 45.510 45.100 -0.253 0.000 0.784 556 G HN 0.434 nan 8.290 nan 0.000 0.543 557 G N 1.072 109.786 108.800 -0.142 0.000 2.402 557 G HA2 -0.112 3.849 3.960 0.001 0.000 0.216 557 G HA3 -0.112 3.849 3.960 0.001 0.000 0.216 557 G C 1.724 176.528 174.900 -0.160 0.000 1.162 557 G CA 0.999 46.023 45.100 -0.126 0.000 0.777 557 G HN 0.429 nan 8.290 nan 0.000 0.539 558 L N 0.393 121.510 121.223 -0.175 0.000 2.042 558 L HA 0.013 4.354 4.340 0.001 0.000 0.210 558 L C 2.506 179.309 176.870 -0.111 0.000 1.076 558 L CA 1.851 56.591 54.840 -0.166 0.000 0.749 558 L CB -0.641 41.335 42.059 -0.139 0.000 0.893 558 L HN 0.192 nan 8.230 nan 0.000 0.432 559 L N -0.427 120.729 121.223 -0.113 0.000 1.989 559 L HA -0.163 4.178 4.340 0.001 0.000 0.211 559 L C 2.537 179.314 176.870 -0.154 0.000 1.071 559 L CA 2.456 57.248 54.840 -0.080 0.000 0.749 559 L CB -0.831 40.993 42.059 -0.391 0.000 0.890 559 L HN 0.340 nan 8.230 nan 0.000 0.431 560 V N -2.540 117.237 119.914 -0.228 0.000 2.548 560 V HA -0.017 4.104 4.120 0.001 0.000 0.249 560 V C 2.483 178.494 176.094 -0.138 0.000 1.055 560 V CA 1.270 63.455 62.300 -0.191 0.000 1.065 560 V CB -1.760 29.945 31.823 -0.196 0.000 0.681 560 V HN 0.464 nan 8.190 nan 0.000 0.462 561 A N 0.832 123.585 122.820 -0.112 0.000 1.898 561 A HA -0.128 4.193 4.320 0.001 0.000 0.216 561 A C 2.355 179.892 177.584 -0.078 0.000 1.181 561 A CA 2.510 54.528 52.037 -0.033 0.000 0.620 561 A CB -1.308 17.572 19.000 -0.199 0.000 0.819 561 A HN 0.529 nan 8.150 nan 0.000 0.442 562 T N -0.713 113.698 114.554 -0.239 0.000 2.746 562 T HA -0.186 4.164 4.350 0.001 0.000 0.267 562 T C 1.894 176.452 174.700 -0.236 0.000 1.039 562 T CA 1.643 63.516 62.100 -0.378 0.000 1.142 562 T CB -0.644 67.628 68.868 -0.992 0.000 0.866 562 T HN 0.571 nan 8.240 nan 0.000 0.444 563 C N 1.577 120.796 119.300 -0.135 0.000 2.422 563 C HA 0.096 4.557 4.460 0.001 0.000 0.279 563 C C 3.172 178.255 174.990 0.155 0.000 1.305 563 C CA 0.225 59.284 59.018 0.069 0.000 1.757 563 C CB -1.449 26.368 27.740 0.128 0.000 1.962 563 C HN 0.653 nan 8.230 nan 0.000 0.499 564 A N 1.397 124.227 122.820 0.017 0.000 1.902 564 A HA -0.185 4.135 4.320 0.001 0.000 0.217 564 A C 1.938 179.421 177.584 -0.168 0.000 1.181 564 A CA 1.960 53.999 52.037 0.002 0.000 0.623 564 A CB -0.563 18.455 19.000 0.030 0.000 0.818 564 A HN 0.634 nan 8.150 nan 0.000 0.443 565 N N -0.173 118.506 118.700 -0.036 0.000 2.142 565 N HA -0.138 4.603 4.740 0.001 0.000 0.186 565 N C 1.936 177.431 175.510 -0.025 0.000 1.023 565 N CA 1.640 54.696 53.050 0.011 0.000 0.852 565 N CB -0.407 38.148 38.487 0.114 0.000 0.998 565 N HN 0.677 nan 8.380 nan 0.000 0.424 566 Q N -0.426 119.366 119.800 -0.013 0.000 2.163 566 Q HA 0.120 4.460 4.340 0.001 0.000 0.198 566 Q C 0.115 176.120 176.000 0.007 0.000 0.954 566 Q CA 0.775 56.582 55.803 0.007 0.000 0.851 566 Q CB 0.467 29.210 28.738 0.009 0.000 0.928 566 Q HN 0.057 nan 8.270 nan 0.000 0.459 567 R N 0.398 120.916 120.500 0.029 0.000 2.653 567 R HA 0.189 4.529 4.340 0.001 0.000 0.269 567 R C -2.207 174.039 176.300 -0.091 0.000 1.603 567 R CA -1.558 54.517 56.100 -0.042 0.000 1.671 567 R CB 0.754 31.011 30.300 -0.072 0.000 1.300 567 R HN 0.118 nan 8.270 nan 0.000 0.668 568 P HA -0.165 nan 4.420 nan 0.000 0.220 568 P C 0.678 177.898 177.300 -0.134 0.000 1.148 568 P CA 1.172 64.163 63.100 -0.181 0.000 0.803 568 P CB 0.269 31.746 31.700 -0.371 0.000 0.782 569 D N -0.685 119.619 120.400 -0.160 0.000 2.312 569 D HA -0.110 4.530 4.640 0.001 0.000 0.211 569 D C 1.721 177.866 176.300 -0.258 0.000 0.964 569 D CA 0.433 54.340 54.000 -0.154 0.000 0.877 569 D CB -0.630 40.099 40.800 -0.119 0.000 0.924 569 D HN 0.109 nan 8.370 nan 0.000 0.515 570 L N -0.688 120.230 121.223 -0.508 0.000 2.375 570 L HA 0.238 4.578 4.340 0.001 0.000 0.215 570 L C -0.214 176.144 176.870 -0.852 0.000 1.108 570 L CA 0.572 54.912 54.840 -0.834 0.000 0.830 570 L CB -0.139 41.133 42.059 -1.311 0.000 0.959 570 L HN -0.155 nan 8.230 nan 0.000 0.457 571 F N -2.405 117.522 119.950 -0.039 0.000 2.551 571 F HA 0.570 5.097 4.527 0.001 0.000 0.316 571 F C 1.268 177.067 175.800 -0.001 0.000 1.089 571 F CA -0.718 57.268 58.000 -0.023 0.000 0.915 571 F CB 1.117 40.102 39.000 -0.025 0.000 1.186 571 F HN -0.269 nan 8.300 nan 0.000 0.456 572 G N -0.372 108.547 108.800 0.198 0.000 2.545 572 G HA2 0.117 4.077 3.960 0.001 0.000 0.212 572 G HA3 0.117 4.077 3.960 0.001 0.000 0.212 572 G C -0.403 174.582 174.900 0.141 0.000 1.144 572 G CA 0.404 45.584 45.100 0.134 0.000 0.813 572 G HN 0.639 nan 8.290 nan 0.000 0.531 573 C N -0.023 119.373 119.300 0.160 0.000 2.782 573 C HA 0.697 5.157 4.460 0.001 0.000 0.328 573 C C -1.283 173.773 174.990 0.109 0.000 1.145 573 C CA -0.669 58.441 59.018 0.153 0.000 1.358 573 C CB 1.117 28.934 27.740 0.128 0.000 1.841 573 C HN 0.094 nan 8.230 nan 0.000 0.477 574 V N 6.554 126.551 119.914 0.137 0.000 2.577 574 V HA 0.535 4.656 4.120 0.001 0.000 0.303 574 V C -0.481 175.631 176.094 0.031 0.000 1.042 574 V CA -0.271 62.039 62.300 0.016 0.000 0.872 574 V CB 1.708 33.528 31.823 -0.005 0.000 0.998 574 V HN 0.734 nan 8.190 nan 0.000 0.423 575 I N 4.210 124.748 120.570 -0.053 0.000 2.390 575 I HA 0.675 4.845 4.170 0.001 0.000 0.283 575 I C 0.277 176.350 176.117 -0.074 0.000 1.016 575 I CA -0.478 60.776 61.300 -0.078 0.000 1.151 575 I CB 1.697 39.648 38.000 -0.081 0.000 1.293 575 I HN 0.680 nan 8.210 nan 0.000 0.458 576 A N 6.666 129.454 122.820 -0.054 0.000 2.258 576 A HA 0.589 4.910 4.320 0.001 0.000 0.316 576 A C -0.436 177.133 177.584 -0.026 0.000 1.279 576 A CA -0.475 51.540 52.037 -0.035 0.000 0.876 576 A CB 0.523 19.527 19.000 0.008 0.000 1.170 576 A HN 0.711 nan 8.150 nan 0.000 0.520 577 Q N 1.395 121.180 119.800 -0.026 0.000 2.257 577 Q HA 0.443 4.784 4.340 0.001 0.000 0.255 577 Q C 0.485 176.469 176.000 -0.027 0.000 0.920 577 Q CA -0.286 55.503 55.803 -0.023 0.000 0.927 577 Q CB 2.087 30.813 28.738 -0.020 0.000 1.229 577 Q HN 1.555 nan 8.270 nan 0.000 0.433 578 V N -0.330 119.582 119.914 -0.003 0.000 5.043 578 V HA -0.235 3.886 4.120 0.001 0.000 0.267 578 V C 0.242 176.363 176.094 0.046 0.000 0.597 578 V CA 0.894 63.218 62.300 0.038 0.000 0.703 578 V CB -2.414 29.400 31.823 -0.016 0.000 0.558 578 V HN 0.844 nan 8.190 nan 0.000 1.038 579 G N -0.396 108.406 108.800 0.003 0.000 2.444 579 G HA2 0.559 4.519 3.960 0.001 0.000 0.268 579 G HA3 0.559 4.519 3.960 0.001 0.000 0.268 579 G C -0.239 174.569 174.900 -0.154 0.000 1.203 579 G CA -0.221 44.835 45.100 -0.074 0.000 0.835 579 G HN 1.255 nan 8.290 nan 0.000 0.543 580 V N 3.820 123.572 119.914 -0.269 0.000 2.387 580 V HA 0.080 4.201 4.120 0.001 0.000 0.260 580 V C 0.629 176.550 176.094 -0.288 0.000 1.054 580 V CA -0.224 61.804 62.300 -0.453 0.000 0.967 580 V CB 0.954 32.541 31.823 -0.393 0.000 1.036 580 V HN 0.694 nan 8.190 nan 0.000 0.481 581 M N 1.242 120.776 119.600 -0.110 0.000 2.653 581 M HA 0.257 4.737 4.480 0.001 0.000 0.259 581 M C 0.712 177.020 176.300 0.013 0.000 1.244 581 M CA 0.452 55.656 55.300 -0.160 0.000 1.163 581 M CB -0.246 32.199 32.600 -0.259 0.000 1.309 581 M HN 0.545 nan 8.290 nan 0.000 0.509 582 D N 1.587 122.230 120.400 0.404 0.000 2.479 582 D HA 0.192 4.833 4.640 0.001 0.000 0.218 582 D C 0.749 177.324 176.300 0.458 0.000 1.131 582 D CA -0.009 54.197 54.000 0.344 0.000 0.916 582 D CB 0.749 41.697 40.800 0.246 0.000 1.022 582 D HN -0.047 nan 8.370 nan 0.000 0.515 583 M N 2.788 122.563 119.600 0.293 0.000 2.630 583 M HA 0.011 4.492 4.480 0.001 0.000 0.254 583 M C 1.541 178.075 176.300 0.391 0.000 1.092 583 M CA 0.487 55.976 55.300 0.314 0.000 1.087 583 M CB -0.223 32.332 32.600 -0.075 0.000 1.453 583 M HN 0.454 nan 8.290 nan 0.000 0.509 584 L N -0.846 120.524 121.223 0.244 0.000 2.307 584 L HA -0.068 4.273 4.340 0.001 0.000 0.211 584 L C 1.650 178.682 176.870 0.270 0.000 1.099 584 L CA 0.767 55.686 54.840 0.131 0.000 0.816 584 L CB -0.160 41.779 42.059 -0.200 0.000 0.952 584 L HN 0.251 nan 8.230 nan 0.000 0.455 585 K N -0.537 120.016 120.400 0.257 0.000 2.402 585 K HA 0.103 4.423 4.320 0.001 0.000 0.204 585 K C 1.593 178.133 176.600 -0.101 0.000 1.056 585 K CA -0.050 56.253 56.287 0.027 0.000 1.069 585 K CB 0.400 32.973 32.500 0.121 0.000 0.888 585 K HN 0.101 nan 8.250 nan 0.000 0.546 586 F N 1.938 122.077 119.950 0.316 0.000 2.154 586 F HA -0.245 4.282 4.527 0.001 0.000 0.301 586 F C 2.138 177.996 175.800 0.097 0.000 1.087 586 F CA 1.380 59.640 58.000 0.434 0.000 1.274 586 F CB -0.961 38.384 39.000 0.575 0.000 1.009 586 F HN 0.131 nan 8.300 nan 0.000 0.485 587 H N 0.614 119.163 119.070 -0.869 0.000 2.545 587 H HA 0.067 4.624 4.556 0.001 0.000 0.282 587 H C 1.187 176.284 175.328 -0.385 0.000 1.020 587 H CA 1.154 56.840 56.048 -0.604 0.000 1.243 587 H CB -0.686 28.672 29.762 -0.673 0.000 1.377 587 H HN 0.428 nan 8.280 nan 0.000 0.581 588 K N 0.174 119.949 120.400 -1.042 0.000 2.366 588 K HA 0.029 4.349 4.320 0.001 0.000 0.198 588 K C -0.379 175.769 176.600 -0.753 0.000 1.044 588 K CA 0.386 56.068 56.287 -1.008 0.000 0.973 588 K CB 0.227 31.915 32.500 -1.352 0.000 0.767 588 K HN 0.225 nan 8.250 nan 0.000 0.475 589 Y N 0.693 120.913 120.300 -0.132 0.000 2.468 589 Y HA 0.052 4.602 4.550 0.001 0.000 0.342 589 Y C 1.484 177.331 175.900 -0.088 0.000 1.021 589 Y CA -1.140 56.919 58.100 -0.068 0.000 1.079 589 Y CB 1.104 39.554 38.460 -0.016 0.000 1.226 589 Y HN 0.179 nan 8.280 nan 0.000 0.460 590 T N -0.300 114.322 114.554 0.114 0.000 4.458 590 T HA -0.411 3.939 4.350 0.001 0.000 0.148 590 T C 0.967 175.612 174.700 -0.092 0.000 1.722 590 T CA 2.116 64.223 62.100 0.013 0.000 0.995 590 T CB -1.117 67.764 68.868 0.021 0.000 1.125 590 T HN 0.604 nan 8.240 nan 0.000 0.424 591 I N 2.450 122.898 120.570 -0.204 0.000 3.928 591 I HA 0.496 4.667 4.170 0.001 0.000 0.335 591 I C 2.232 177.761 176.117 -0.979 0.000 1.325 591 I CA 0.572 61.579 61.300 -0.488 0.000 1.107 591 I CB -0.504 37.328 38.000 -0.281 0.000 1.014 591 I HN 0.735 nan 8.210 nan 0.000 0.400 592 G N 0.358 108.561 108.800 -0.994 0.000 2.479 592 G HA2 -0.348 3.612 3.960 0.001 0.000 0.220 592 G HA3 -0.348 3.612 3.960 0.001 0.000 0.220 592 G C 1.427 175.878 174.900 -0.749 0.000 1.115 592 G CA 1.324 45.496 45.100 -1.547 0.000 0.757 592 G HN 0.702 nan 8.290 nan 0.000 0.560 593 H N -0.263 118.595 119.070 -0.354 0.000 2.489 593 H HA 0.280 4.837 4.556 0.001 0.000 0.295 593 H C 2.333 177.621 175.328 -0.067 0.000 1.082 593 H CA 1.116 57.090 56.048 -0.123 0.000 1.295 593 H CB -0.554 29.155 29.762 -0.088 0.000 1.380 593 H HN 0.268 nan 8.280 nan 0.000 0.548 594 A N 0.725 123.265 122.820 -0.467 0.000 2.066 594 A HA -0.058 4.262 4.320 0.001 0.000 0.218 594 A C 1.193 178.881 177.584 0.173 0.000 1.157 594 A CA 0.885 52.834 52.037 -0.146 0.000 0.670 594 A CB -0.724 18.106 19.000 -0.284 0.000 0.804 594 A HN 0.615 nan 8.150 nan 0.000 0.453 595 W N 0.622 122.058 121.300 0.228 0.000 3.256 595 W HA 0.082 4.742 4.660 0.001 0.000 0.269 595 W C 1.935 178.607 176.519 0.255 0.000 1.310 595 W CA 0.828 58.331 57.345 0.263 0.000 1.673 595 W CB -1.763 27.820 29.460 0.205 0.000 1.115 595 W HN 0.516 nan 8.180 nan 0.000 0.686 596 T N -2.123 112.767 114.554 0.561 0.000 2.977 596 T HA -0.190 4.160 4.350 0.001 0.000 0.271 596 T C 1.728 176.574 174.700 0.243 0.000 1.105 596 T CA 1.913 64.307 62.100 0.490 0.000 1.116 596 T CB -0.713 68.376 68.868 0.368 0.000 0.878 596 T HN 0.147 nan 8.240 nan 0.000 0.509 597 T N -0.935 113.707 114.554 0.146 0.000 2.915 597 T HA -0.039 4.312 4.350 0.001 0.000 0.269 597 T C 1.418 176.053 174.700 -0.109 0.000 1.071 597 T CA 1.273 63.392 62.100 0.032 0.000 1.132 597 T CB -0.366 68.519 68.868 0.028 0.000 0.878 597 T HN 0.325 nan 8.240 nan 0.000 0.479 598 D N -0.347 119.894 120.400 -0.265 0.000 2.262 598 D HA 0.151 4.791 4.640 0.001 0.000 0.212 598 D C 1.200 177.299 176.300 -0.334 0.000 0.964 598 D CA 0.555 54.201 54.000 -0.590 0.000 0.875 598 D CB 0.066 39.975 40.800 -1.486 0.000 0.996 598 D HN 0.402 nan 8.370 nan 0.000 0.497 599 Y N -0.085 120.215 120.300 0.000 0.000 2.524 599 Y HA 0.397 4.948 4.550 0.001 0.000 0.270 599 Y C 1.521 177.583 175.900 0.269 0.000 1.094 599 Y CA 0.430 58.604 58.100 0.122 0.000 1.276 599 Y CB 0.053 38.574 38.460 0.101 0.000 1.130 599 Y HN -0.049 nan 8.280 nan 0.000 0.536 600 G N -0.274 108.750 108.800 0.373 0.000 2.728 600 G HA2 -0.178 3.782 3.960 0.001 0.000 0.294 600 G HA3 -0.178 3.782 3.960 0.001 0.000 0.294 600 G C -1.051 174.131 174.900 0.469 0.000 1.342 600 G CA -0.882 44.348 45.100 0.216 0.000 0.866 600 G HN 0.469 nan 8.290 nan 0.000 0.534 601 C N 0.138 119.707 119.300 0.448 0.000 2.535 601 C HA 0.752 5.212 4.460 0.001 0.000 0.319 601 C C 1.956 176.971 174.990 0.042 0.000 1.171 601 C CA 0.700 59.769 59.018 0.086 0.000 1.394 601 C CB 0.817 28.489 27.740 -0.113 0.000 1.990 601 C HN 2.081 nan 8.230 nan 0.000 0.466 602 S N 2.024 117.720 115.700 -0.008 0.000 2.500 602 S HA -0.135 4.335 4.470 0.001 0.000 0.239 602 S C 0.900 175.663 174.600 0.271 0.000 0.989 602 S CA 1.660 59.993 58.200 0.222 0.000 0.951 602 S CB -0.295 63.107 63.200 0.336 0.000 0.759 602 S HN 0.870 nan 8.310 nan 0.000 0.523 603 D N 1.827 122.244 120.400 0.029 0.000 2.263 603 D HA 0.021 4.662 4.640 0.001 0.000 0.208 603 D C 0.894 177.254 176.300 0.099 0.000 0.971 603 D CA 0.848 54.873 54.000 0.043 0.000 0.867 603 D CB -0.237 40.515 40.800 -0.080 0.000 0.929 603 D HN 0.514 nan 8.370 nan 0.000 0.492 604 S N 0.101 115.755 115.700 -0.077 0.000 2.499 604 S HA 0.140 4.611 4.470 0.001 0.000 0.279 604 S C 1.033 175.325 174.600 -0.514 0.000 1.219 604 S CA -0.728 57.276 58.200 -0.326 0.000 1.062 604 S CB 1.785 64.555 63.200 -0.716 0.000 0.978 604 S HN -0.054 nan 8.310 nan 0.000 0.489 605 K N 3.155 123.074 120.400 -0.802 0.000 2.032 605 K HA -0.197 4.123 4.320 0.001 0.000 0.209 605 K C 2.104 178.419 176.600 -0.475 0.000 1.048 605 K CA 1.788 57.478 56.287 -0.995 0.000 0.927 605 K CB -0.264 31.860 32.500 -0.626 0.000 0.712 605 K HN 0.861 nan 8.250 nan 0.000 0.441 606 Q N -0.173 119.358 119.800 -0.448 0.000 2.061 606 Q HA -0.221 4.120 4.340 0.001 0.000 0.204 606 Q C 1.782 177.288 176.000 -0.822 0.000 0.984 606 Q CA 1.842 57.363 55.803 -0.469 0.000 0.846 606 Q CB -0.101 28.422 28.738 -0.358 0.000 0.902 606 Q HN 0.630 nan 8.270 nan 0.000 0.421 607 H N -1.286 117.228 119.070 -0.926 0.000 2.363 607 H HA -0.112 4.445 4.556 0.001 0.000 0.301 607 H C 1.928 176.981 175.328 -0.458 0.000 1.074 607 H CA 0.750 56.188 56.048 -1.017 0.000 1.354 607 H CB -0.133 29.345 29.762 -0.473 0.000 1.397 607 H HN 0.303 nan 8.280 nan 0.000 0.516 608 F N 2.647 122.441 119.950 -0.259 0.000 2.120 608 F HA -0.240 4.287 4.527 0.001 0.000 0.300 608 F C 2.153 177.845 175.800 -0.181 0.000 1.095 608 F CA 1.372 59.269 58.000 -0.173 0.000 1.249 608 F CB -0.027 38.928 39.000 -0.074 0.000 0.995 608 F HN 0.039 nan 8.300 nan 0.000 0.480 609 E N -0.275 119.782 120.200 -0.237 0.000 2.204 609 E HA -0.207 4.143 4.350 0.001 0.000 0.195 609 E C 2.138 178.686 176.600 -0.087 0.000 0.990 609 E CA 1.201 57.480 56.400 -0.201 0.000 0.821 609 E CB -0.646 29.028 29.700 -0.043 0.000 0.750 609 E HN 0.585 nan 8.360 nan 0.000 0.477 610 W N 0.710 121.965 121.300 -0.076 0.000 2.409 610 W HA 0.041 4.701 4.660 0.001 0.000 0.299 610 W C 2.232 178.671 176.519 -0.132 0.000 1.203 610 W CA 0.174 57.515 57.345 -0.007 0.000 1.298 610 W CB -1.208 28.303 29.460 0.085 0.000 1.127 610 W HN 0.045 nan 8.180 nan 0.000 0.528 611 L N -0.313 120.854 121.223 -0.093 0.000 2.072 611 L HA -0.171 4.169 4.340 0.001 0.000 0.205 611 L C 2.384 178.856 176.870 -0.663 0.000 1.079 611 L CA 0.771 55.322 54.840 -0.482 0.000 0.752 611 L CB -0.956 40.939 42.059 -0.274 0.000 0.906 611 L HN -0.188 nan 8.230 nan 0.000 0.436 612 I N 0.127 120.264 120.570 -0.721 0.000 2.423 612 I HA -0.272 3.899 4.170 0.001 0.000 0.254 612 I C 2.281 178.188 176.117 -0.350 0.000 1.151 612 I CA 1.586 62.460 61.300 -0.709 0.000 1.421 612 I CB -0.287 37.020 38.000 -1.154 0.000 1.079 612 I HN 0.110 nan 8.210 nan 0.000 0.431 613 K N -0.862 119.404 120.400 -0.224 0.000 2.217 613 K HA -0.137 4.183 4.320 0.001 0.000 0.202 613 K C 1.339 177.965 176.600 0.045 0.000 1.051 613 K CA 1.700 57.972 56.287 -0.024 0.000 0.952 613 K CB -0.078 32.477 32.500 0.093 0.000 0.736 613 K HN 0.637 nan 8.250 nan 0.000 0.453 614 Y N -2.850 117.418 120.300 -0.052 0.000 2.448 614 Y HA 0.328 4.878 4.550 0.001 0.000 0.257 614 Y C 0.404 176.205 175.900 -0.165 0.000 1.089 614 Y CA -0.815 57.207 58.100 -0.131 0.000 1.245 614 Y CB -0.084 38.319 38.460 -0.095 0.000 1.282 614 Y HN -0.261 nan 8.280 nan 0.000 0.529 615 S N 4.089 119.568 115.700 -0.368 0.000 2.737 615 S HA 0.020 4.490 4.470 0.001 0.000 0.315 615 S C -1.420 173.120 174.600 -0.100 0.000 1.236 615 S CA -0.648 57.435 58.200 -0.194 0.000 1.093 615 S CB 0.494 63.687 63.200 -0.013 0.000 0.832 615 S HN 0.249 nan 8.310 nan 0.000 0.507 616 P HA -0.128 nan 4.420 nan 0.000 0.216 616 P C 1.534 178.712 177.300 -0.203 0.000 1.153 616 P CA 0.530 63.430 63.100 -0.333 0.000 0.858 616 P CB 0.051 31.257 31.700 -0.822 0.000 0.789 617 L N -1.245 119.809 121.223 -0.281 0.000 2.191 617 L HA -0.149 4.191 4.340 0.001 0.000 0.212 617 L C 1.335 177.984 176.870 -0.369 0.000 1.103 617 L CA 2.060 56.755 54.840 -0.243 0.000 0.769 617 L CB -1.186 40.604 42.059 -0.448 0.000 0.908 617 L HN 0.103 nan 8.230 nan 0.000 0.438 618 H N -2.051 117.037 119.070 0.030 0.000 2.594 618 H HA 0.327 4.884 4.556 0.001 0.000 0.279 618 H C 0.567 175.918 175.328 0.038 0.000 1.042 618 H CA 0.126 56.186 56.048 0.019 0.000 1.177 618 H CB 0.125 29.847 29.762 -0.066 0.000 1.524 618 H HN 0.270 nan 8.280 nan 0.000 0.537 619 N N 0.642 119.415 118.700 0.121 0.000 2.299 619 N HA 0.087 4.828 4.740 0.001 0.000 0.246 619 N C -0.752 174.866 175.510 0.180 0.000 1.254 619 N CA 0.117 53.243 53.050 0.127 0.000 0.879 619 N CB 1.919 40.455 38.487 0.081 0.000 1.214 619 N HN -0.015 nan 8.380 nan 0.000 0.510 620 V N 1.715 121.744 119.914 0.190 0.000 2.470 620 V HA 0.159 4.280 4.120 0.001 0.000 0.276 620 V C 0.414 176.580 176.094 0.120 0.000 1.040 620 V CA 0.325 62.732 62.300 0.179 0.000 1.008 620 V CB 0.551 32.425 31.823 0.084 0.000 0.990 620 V HN 0.119 nan 8.190 nan 0.000 0.477 621 K N 4.961 125.458 120.400 0.163 0.000 2.550 621 K HA 0.452 4.773 4.320 0.001 0.000 0.252 621 K C -1.046 175.654 176.600 0.167 0.000 0.943 621 K CA -0.874 55.490 56.287 0.128 0.000 0.806 621 K CB 1.623 34.206 32.500 0.139 0.000 1.289 621 K HN 0.529 nan 8.250 nan 0.000 0.435 622 L N 4.957 126.224 121.223 0.074 0.000 2.578 622 L HA 0.092 4.432 4.340 0.001 0.000 0.279 622 L C -1.940 175.019 176.870 0.149 0.000 1.227 622 L CA -1.364 53.531 54.840 0.091 0.000 0.900 622 L CB -0.003 42.072 42.059 0.028 0.000 1.144 622 L HN 0.498 nan 8.230 nan 0.000 0.496 623 P HA -0.011 nan 4.420 nan 0.000 0.268 623 P C 0.391 177.737 177.300 0.078 0.000 1.204 623 P CA -0.068 63.109 63.100 0.128 0.000 0.768 623 P CB 0.681 32.453 31.700 0.121 0.000 0.842 624 E N 2.501 122.735 120.200 0.057 0.000 2.051 624 E HA -0.109 4.242 4.350 0.001 0.000 0.192 624 E C 0.456 177.075 176.600 0.032 0.000 0.991 624 E CA 0.507 56.931 56.400 0.041 0.000 0.799 624 E CB -0.073 29.647 29.700 0.034 0.000 0.748 624 E HN 0.599 nan 8.360 nan 0.000 0.449 625 A N 1.260 124.096 122.820 0.028 0.000 2.440 625 A HA 0.002 4.323 4.320 0.001 0.000 0.251 625 A C 0.222 177.820 177.584 0.023 0.000 1.089 625 A CA -0.236 51.813 52.037 0.020 0.000 0.779 625 A CB 0.416 19.423 19.000 0.013 0.000 1.022 625 A HN 0.142 nan 8.150 nan 0.000 0.492 626 D N 0.917 121.328 120.400 0.018 0.000 2.182 626 D HA -0.148 4.493 4.640 0.001 0.000 0.201 626 D C 1.185 177.495 176.300 0.018 0.000 0.986 626 D CA 1.965 55.975 54.000 0.017 0.000 0.847 626 D CB 0.050 40.857 40.800 0.012 0.000 0.942 626 D HN 0.771 nan 8.370 nan 0.000 0.467 627 D N -0.323 120.085 120.400 0.014 0.000 2.340 627 D HA -0.032 4.608 4.640 0.001 0.000 0.220 627 D C 0.332 176.641 176.300 0.016 0.000 1.039 627 D CA -0.063 53.944 54.000 0.012 0.000 0.866 627 D CB -0.026 40.777 40.800 0.005 0.000 0.913 627 D HN 0.205 nan 8.370 nan 0.000 0.523 628 I N 1.420 122.005 120.570 0.024 0.000 2.406 628 I HA 0.225 4.395 4.170 0.001 0.000 0.290 628 I C 0.086 176.241 176.117 0.064 0.000 0.999 628 I CA -0.792 60.526 61.300 0.029 0.000 1.124 628 I CB 1.727 39.736 38.000 0.014 0.000 1.289 628 I HN -0.037 nan 8.210 nan 0.000 0.441 629 Q N 4.534 124.382 119.800 0.080 0.000 2.572 629 Q HA 0.499 4.840 4.340 0.001 0.000 0.284 629 Q C -1.380 174.741 176.000 0.201 0.000 1.091 629 Q CA -0.947 54.944 55.803 0.146 0.000 0.840 629 Q CB 1.395 30.203 28.738 0.116 0.000 1.433 629 Q HN 0.353 nan 8.270 nan 0.000 0.471 630 Y N 1.438 121.763 120.300 0.043 0.000 2.397 630 Y HA 0.227 4.778 4.550 0.001 0.000 0.335 630 Y C -1.916 174.031 175.900 0.078 0.000 1.213 630 Y CA -1.745 56.391 58.100 0.061 0.000 1.391 630 Y CB 0.283 38.768 38.460 0.042 0.000 1.293 630 Y HN 0.521 nan 8.280 nan 0.000 0.557 631 P HA -0.008 nan 4.420 nan 0.000 0.271 631 P C -0.599 176.821 177.300 0.200 0.000 1.233 631 P CA -0.160 63.040 63.100 0.166 0.000 0.789 631 P CB 0.486 32.294 31.700 0.181 0.000 0.951 632 S N 0.952 116.758 115.700 0.176 0.000 2.549 632 S HA 0.193 4.664 4.470 0.001 0.000 0.286 632 S C 0.424 175.237 174.600 0.356 0.000 1.314 632 S CA 0.245 58.580 58.200 0.225 0.000 1.062 632 S CB -0.552 62.684 63.200 0.059 0.000 0.865 632 S HN 0.315 nan 8.310 nan 0.000 0.498 633 M N 3.270 123.099 119.600 0.381 0.000 2.327 633 M HA 0.479 4.960 4.480 0.001 0.000 0.298 633 M C -1.356 174.929 176.300 -0.024 0.000 1.065 633 M CA -0.725 54.702 55.300 0.212 0.000 0.916 633 M CB 1.918 34.581 32.600 0.105 0.000 1.630 633 M HN 0.444 nan 8.290 nan 0.000 0.442 634 L N 4.849 125.890 121.223 -0.303 0.000 2.376 634 L HA 0.647 4.987 4.340 0.001 0.000 0.275 634 L C -1.763 174.942 176.870 -0.275 0.000 0.987 634 L CA -0.285 54.189 54.840 -0.610 0.000 0.828 634 L CB 1.427 42.698 42.059 -1.313 0.000 1.249 634 L HN 0.664 nan 8.230 nan 0.000 0.409 635 L N 6.144 127.260 121.223 -0.178 0.000 2.295 635 L HA 0.526 4.866 4.340 0.001 0.000 0.285 635 L C -0.773 176.063 176.870 -0.057 0.000 1.035 635 L CA -0.612 54.189 54.840 -0.065 0.000 0.806 635 L CB 1.400 43.465 42.059 0.010 0.000 1.214 635 L HN 0.524 nan 8.230 nan 0.000 0.426 636 L N 3.002 124.208 121.223 -0.029 0.000 2.313 636 L HA 0.673 5.013 4.340 0.001 0.000 0.283 636 L C 0.020 176.907 176.870 0.028 0.000 1.013 636 L CA -0.060 54.786 54.840 0.009 0.000 0.816 636 L CB 1.984 44.041 42.059 -0.004 0.000 1.236 636 L HN 0.634 nan 8.230 nan 0.000 0.419 637 T N 1.710 116.288 114.554 0.041 0.000 2.681 637 T HA 0.901 5.251 4.350 0.001 0.000 0.296 637 T C -1.786 172.942 174.700 0.048 0.000 1.157 637 T CA -0.190 61.941 62.100 0.053 0.000 1.025 637 T CB 2.056 70.963 68.868 0.066 0.000 1.441 637 T HN 0.716 nan 8.240 nan 0.000 0.504 638 A N 0.722 123.583 122.820 0.069 0.000 2.594 638 A HA 0.610 4.930 4.320 0.001 0.000 0.295 638 A C 0.130 177.771 177.584 0.096 0.000 1.071 638 A CA -0.052 52.031 52.037 0.076 0.000 0.685 638 A CB 1.354 20.414 19.000 0.100 0.000 1.285 638 A HN 0.864 nan 8.150 nan 0.000 0.405 639 D N -0.375 120.089 120.400 0.108 0.000 2.348 639 D HA -0.070 4.571 4.640 0.001 0.000 0.216 639 D C 0.481 176.787 176.300 0.010 0.000 0.970 639 D CA 1.553 55.590 54.000 0.062 0.000 0.889 639 D CB -0.251 40.572 40.800 0.040 0.000 0.912 639 D HN 0.601 nan 8.370 nan 0.000 0.524 640 H N -0.525 118.583 119.070 0.063 0.000 2.486 640 H HA 0.216 4.772 4.556 0.001 0.000 0.284 640 H C -0.494 174.891 175.328 0.095 0.000 1.103 640 H CA -0.617 55.479 56.048 0.081 0.000 1.089 640 H CB 0.067 29.878 29.762 0.082 0.000 1.603 640 H HN -0.016 nan 8.280 nan 0.000 0.557 641 D N 1.777 122.287 120.400 0.183 0.000 2.455 641 D HA -0.051 4.589 4.640 0.001 0.000 0.234 641 D C 0.303 176.692 176.300 0.148 0.000 1.224 641 D CA -0.049 54.064 54.000 0.188 0.000 0.999 641 D CB 0.119 41.048 40.800 0.216 0.000 1.072 641 D HN 0.429 nan 8.370 nan 0.000 0.514 642 D N 1.778 122.251 120.400 0.122 0.000 2.340 642 D HA -0.051 4.589 4.640 0.001 0.000 0.220 642 D C 1.564 177.910 176.300 0.077 0.000 1.039 642 D CA -0.096 53.952 54.000 0.080 0.000 0.866 642 D CB 0.204 41.028 40.800 0.039 0.000 0.913 642 D HN 0.189 nan 8.370 nan 0.000 0.523 643 R N 0.530 121.068 120.500 0.064 0.000 2.052 643 R HA 0.141 4.481 4.340 0.001 0.000 0.224 643 R C 0.077 176.485 176.300 0.180 0.000 1.149 643 R CA 0.895 57.005 56.100 0.016 0.000 0.962 643 R CB -0.141 29.901 30.300 -0.430 0.000 0.856 643 R HN 0.025 nan 8.270 nan 0.000 0.433 644 V N 3.397 123.375 119.914 0.107 0.000 2.275 644 V HA 0.257 4.377 4.120 0.001 0.000 0.272 644 V C -0.487 175.789 176.094 0.303 0.000 1.028 644 V CA -1.049 61.429 62.300 0.298 0.000 0.810 644 V CB 1.063 32.983 31.823 0.161 0.000 1.043 644 V HN 0.235 nan 8.190 nan 0.000 0.453 645 V N 4.586 124.703 119.914 0.338 0.000 2.694 645 V HA 0.159 4.279 4.120 0.001 0.000 0.306 645 V C -0.737 175.452 176.094 0.157 0.000 1.054 645 V CA -0.742 61.659 62.300 0.168 0.000 1.161 645 V CB 0.302 32.126 31.823 0.001 0.000 0.916 645 V HN 0.634 nan 8.190 nan 0.000 0.490 646 P HA -0.150 nan 4.420 nan 0.000 0.225 646 P C 1.579 178.885 177.300 0.009 0.000 1.148 646 P CA 1.238 64.378 63.100 0.068 0.000 0.779 646 P CB -0.030 31.694 31.700 0.039 0.000 0.780 647 L N -2.442 118.718 121.223 -0.105 0.000 2.137 647 L HA -0.195 4.145 4.340 0.001 0.000 0.213 647 L C 2.454 179.224 176.870 -0.167 0.000 1.085 647 L CA 1.962 56.672 54.840 -0.215 0.000 0.760 647 L CB -2.423 39.410 42.059 -0.377 0.000 0.893 647 L HN -0.023 nan 8.230 nan 0.000 0.434 648 H N 0.355 119.407 119.070 -0.031 0.000 2.289 648 H HA -0.110 4.446 4.556 0.001 0.000 0.296 648 H C 2.400 177.753 175.328 0.041 0.000 1.091 648 H CA 2.032 58.094 56.048 0.023 0.000 1.274 648 H CB -0.229 29.573 29.762 0.067 0.000 1.364 648 H HN 0.504 nan 8.280 nan 0.000 0.490 649 S N 0.470 116.282 115.700 0.186 0.000 2.406 649 S HA -0.020 4.451 4.470 0.001 0.000 0.228 649 S C 2.512 177.180 174.600 0.113 0.000 1.020 649 S CA 0.298 58.601 58.200 0.172 0.000 0.965 649 S CB -0.068 63.209 63.200 0.129 0.000 0.798 649 S HN 0.214 nan 8.310 nan 0.000 0.488 650 L N 1.347 122.590 121.223 0.033 0.000 1.994 650 L HA -0.144 4.196 4.340 0.001 0.000 0.208 650 L C 2.454 179.191 176.870 -0.222 0.000 1.071 650 L CA 1.339 56.153 54.840 -0.044 0.000 0.745 650 L CB -0.619 41.321 42.059 -0.199 0.000 0.892 650 L HN 0.234 nan 8.230 nan 0.000 0.431 651 K N -0.519 119.745 120.400 -0.227 0.000 2.057 651 K HA -0.190 4.130 4.320 0.001 0.000 0.207 651 K C 2.160 178.721 176.600 -0.066 0.000 1.049 651 K CA 1.371 57.528 56.287 -0.218 0.000 0.931 651 K CB -0.342 32.080 32.500 -0.129 0.000 0.714 651 K HN 0.079 nan 8.250 nan 0.000 0.440 652 F N 1.917 121.790 119.950 -0.129 0.000 2.134 652 F HA -0.177 4.350 4.527 0.001 0.000 0.299 652 F C 2.085 177.819 175.800 -0.110 0.000 1.097 652 F CA 0.812 58.756 58.000 -0.093 0.000 1.264 652 F CB -0.361 38.612 39.000 -0.044 0.000 1.001 652 F HN -0.126 nan 8.300 nan 0.000 0.479 653 I N 0.344 120.819 120.570 -0.158 0.000 2.315 653 I HA -0.096 4.075 4.170 0.001 0.000 0.248 653 I C 2.395 178.344 176.117 -0.280 0.000 1.117 653 I CA 1.447 62.584 61.300 -0.272 0.000 1.404 653 I CB -0.935 36.984 38.000 -0.134 0.000 1.071 653 I HN 0.120 nan 8.210 nan 0.000 0.419 654 A N -0.839 121.815 122.820 -0.276 0.000 1.933 654 A HA -0.208 4.113 4.320 0.001 0.000 0.218 654 A C 2.336 179.613 177.584 -0.512 0.000 1.175 654 A CA 2.446 54.162 52.037 -0.535 0.000 0.628 654 A CB -1.286 16.960 19.000 -1.256 0.000 0.814 654 A HN 0.449 nan 8.150 nan 0.000 0.444 655 T N 0.351 114.705 114.554 -0.334 0.000 2.737 655 T HA -0.043 4.307 4.350 0.001 0.000 0.265 655 T C 1.849 176.474 174.700 -0.125 0.000 1.038 655 T CA 1.361 63.452 62.100 -0.015 0.000 1.144 655 T CB -0.386 68.529 68.868 0.078 0.000 0.866 655 T HN 0.347 nan 8.240 nan 0.000 0.434 656 L N 0.799 121.811 121.223 -0.352 0.000 2.012 656 L HA -0.198 4.143 4.340 0.001 0.000 0.210 656 L C 2.945 179.591 176.870 -0.373 0.000 1.073 656 L CA 1.574 56.149 54.840 -0.443 0.000 0.748 656 L CB -0.568 41.126 42.059 -0.608 0.000 0.891 656 L HN 0.308 nan 8.230 nan 0.000 0.431 657 Q N -1.590 117.969 119.800 -0.402 0.000 2.124 657 Q HA -0.245 4.096 4.340 0.001 0.000 0.202 657 Q C 2.027 177.907 176.000 -0.199 0.000 0.977 657 Q CA 1.812 57.310 55.803 -0.508 0.000 0.850 657 Q CB -0.160 28.177 28.738 -0.669 0.000 0.901 657 Q HN 0.482 nan 8.270 nan 0.000 0.429 658 Y N 0.638 120.837 120.300 -0.168 0.000 2.176 658 Y HA -0.166 4.385 4.550 0.001 0.000 0.291 658 Y C 1.891 177.767 175.900 -0.041 0.000 1.122 658 Y CA 1.066 59.148 58.100 -0.030 0.000 1.128 658 Y CB 0.064 38.585 38.460 0.101 0.000 1.005 658 Y HN -0.011 nan 8.280 nan 0.000 0.509 659 I N -0.874 119.659 120.570 -0.061 0.000 2.233 659 I HA -0.181 3.989 4.170 0.001 0.000 0.243 659 I C 2.131 178.114 176.117 -0.223 0.000 1.093 659 I CA 1.235 62.444 61.300 -0.151 0.000 1.380 659 I CB -1.242 36.735 38.000 -0.039 0.000 1.067 659 I HN 0.186 nan 8.210 nan 0.000 0.413 660 V N 0.433 120.185 119.914 -0.270 0.000 2.788 660 V HA 0.149 4.269 4.120 0.001 0.000 0.241 660 V C 2.548 178.536 176.094 -0.177 0.000 1.083 660 V CA 1.258 63.379 62.300 -0.299 0.000 1.103 660 V CB -0.740 30.727 31.823 -0.592 0.000 0.800 660 V HN 0.405 nan 8.190 nan 0.000 0.476 661 G N 0.041 108.738 108.800 -0.171 0.000 2.450 661 G HA2 -0.237 3.723 3.960 0.001 0.000 0.220 661 G HA3 -0.237 3.723 3.960 0.001 0.000 0.220 661 G C 1.690 176.639 174.900 0.081 0.000 1.130 661 G CA 0.551 45.648 45.100 -0.005 0.000 0.760 661 G HN 0.385 nan 8.290 nan 0.000 0.557 662 R N 0.621 121.101 120.500 -0.034 0.000 2.235 662 R HA 0.059 4.399 4.340 0.001 0.000 0.213 662 R C 1.255 177.522 176.300 -0.054 0.000 1.059 662 R CA 0.509 56.582 56.100 -0.045 0.000 0.997 662 R CB -0.023 30.173 30.300 -0.172 0.000 0.884 662 R HN 0.454 nan 8.270 nan 0.000 0.462 663 S N 0.279 115.942 115.700 -0.061 0.000 2.565 663 S HA 0.149 4.619 4.470 0.001 0.000 0.276 663 S C 1.081 175.668 174.600 -0.021 0.000 1.326 663 S CA -0.814 57.358 58.200 -0.047 0.000 1.045 663 S CB 1.610 64.781 63.200 -0.048 0.000 0.918 663 S HN 0.076 nan 8.310 nan 0.000 0.505 664 R N 2.626 123.115 120.500 -0.019 0.000 2.105 664 R HA -0.129 4.211 4.340 0.001 0.000 0.239 664 R C 2.096 178.392 176.300 -0.006 0.000 1.135 664 R CA 2.031 58.123 56.100 -0.014 0.000 0.967 664 R CB -0.780 29.512 30.300 -0.012 0.000 0.861 664 R HN 0.960 nan 8.270 nan 0.000 0.442 665 K N 0.812 121.213 120.400 0.002 0.000 2.439 665 K HA -0.080 4.240 4.320 0.001 0.000 0.197 665 K C 0.733 177.347 176.600 0.024 0.000 1.041 665 K CA 0.420 56.714 56.287 0.013 0.000 0.970 665 K CB 0.051 32.562 32.500 0.019 0.000 0.773 665 K HN -0.141 nan 8.250 nan 0.000 0.479 666 Q N 1.821 121.635 119.800 0.023 0.000 2.344 666 Q HA 0.115 4.455 4.340 0.001 0.000 0.253 666 Q C -0.446 175.573 176.000 0.032 0.000 1.050 666 Q CA 0.066 55.894 55.803 0.041 0.000 0.912 666 Q CB 0.758 29.517 28.738 0.036 0.000 1.258 666 Q HN 0.238 nan 8.270 nan 0.000 0.443 667 N N 2.740 121.462 118.700 0.037 0.000 2.181 667 N HA 0.085 4.826 4.740 0.001 0.000 0.207 667 N C -0.780 174.757 175.510 0.044 0.000 1.182 667 N CA -0.051 53.010 53.050 0.018 0.000 0.893 667 N CB 0.517 39.010 38.487 0.010 0.000 1.032 667 N HN 0.422 nan 8.380 nan 0.000 0.513 668 N N 2.899 121.646 118.700 0.078 0.000 2.488 668 N HA 0.208 4.948 4.740 0.001 0.000 0.274 668 N C -2.386 173.206 175.510 0.136 0.000 1.111 668 N CA -0.998 52.113 53.050 0.102 0.000 0.974 668 N CB 0.927 39.485 38.487 0.118 0.000 1.089 668 N HN 0.135 nan 8.380 nan 0.000 0.465 669 P HA 0.179 nan 4.420 nan 0.000 0.274 669 P C -0.749 176.689 177.300 0.230 0.000 1.231 669 P CA -0.120 63.100 63.100 0.200 0.000 0.790 669 P CB 0.936 32.609 31.700 -0.045 0.000 0.951 670 L N 3.249 124.612 121.223 0.233 0.000 2.388 670 L HA 0.495 4.835 4.340 0.001 0.000 0.267 670 L C -0.060 176.780 176.870 -0.051 0.000 0.995 670 L CA -0.327 54.528 54.840 0.025 0.000 0.864 670 L CB 0.995 42.968 42.059 -0.144 0.000 1.216 670 L HN 0.225 nan 8.230 nan 0.000 0.430 671 L N 3.773 124.936 121.223 -0.101 0.000 2.371 671 L HA 0.657 4.998 4.340 0.001 0.000 0.262 671 L C -0.867 175.890 176.870 -0.188 0.000 1.006 671 L CA -0.678 54.068 54.840 -0.158 0.000 0.818 671 L CB 3.277 45.212 42.059 -0.208 0.000 1.354 671 L HN 0.480 nan 8.230 nan 0.000 0.415 672 I N 0.516 120.993 120.570 -0.155 0.000 2.689 672 I HA 0.416 4.587 4.170 0.001 0.000 0.299 672 I C -1.230 174.856 176.117 -0.052 0.000 1.059 672 I CA -0.374 60.862 61.300 -0.106 0.000 1.055 672 I CB 2.108 40.059 38.000 -0.080 0.000 1.243 672 I HN 0.633 nan 8.210 nan 0.000 0.425 673 H N 6.849 125.851 119.070 -0.114 0.000 2.547 673 H HA 0.493 5.049 4.556 0.001 0.000 0.342 673 H C -1.839 173.465 175.328 -0.040 0.000 1.048 673 H CA -0.565 55.435 56.048 -0.080 0.000 1.204 673 H CB 1.996 31.711 29.762 -0.079 0.000 1.493 673 H HN 0.347 nan 8.280 nan 0.000 0.511 674 V N 5.771 125.369 119.914 -0.527 0.000 2.313 674 V HA 0.052 4.172 4.120 0.001 0.000 0.278 674 V C 0.292 176.129 176.094 -0.428 0.000 1.017 674 V CA -0.762 61.352 62.300 -0.310 0.000 0.823 674 V CB 1.134 32.872 31.823 -0.142 0.000 1.010 674 V HN 0.739 nan 8.190 nan 0.000 0.443 675 D N 3.401 123.681 120.400 -0.201 0.000 2.358 675 D HA 0.441 5.082 4.640 0.001 0.000 0.244 675 D C 0.426 176.734 176.300 0.012 0.000 1.163 675 D CA 0.148 54.122 54.000 -0.043 0.000 0.945 675 D CB 1.540 42.407 40.800 0.112 0.000 1.152 675 D HN 0.679 nan 8.370 nan 0.000 0.451 676 T N -1.383 113.199 114.554 0.046 0.000 2.945 676 T HA 0.408 4.758 4.350 0.001 0.000 0.286 676 T C 0.045 174.783 174.700 0.062 0.000 1.025 676 T CA -0.910 61.237 62.100 0.079 0.000 1.039 676 T CB 1.145 70.050 68.868 0.063 0.000 1.068 676 T HN 0.495 nan 8.240 nan 0.000 0.497 677 K N -0.488 119.936 120.400 0.039 0.000 3.016 677 K HA -0.097 4.223 4.320 0.001 0.000 0.262 677 K C -0.001 176.549 176.600 -0.082 0.000 1.043 677 K CA 0.652 56.857 56.287 -0.136 0.000 0.761 677 K CB -2.069 30.380 32.500 -0.085 0.000 1.230 677 K HN 1.020 nan 8.250 nan 0.000 0.485 678 A N -0.791 122.036 122.820 0.012 0.000 2.566 678 A HA 0.863 5.184 4.320 0.001 0.000 0.292 678 A C 0.286 177.943 177.584 0.122 0.000 1.112 678 A CA -0.072 51.996 52.037 0.050 0.000 0.707 678 A CB 2.019 21.055 19.000 0.061 0.000 1.302 678 A HN 0.241 nan 8.150 nan 0.000 0.409 679 G N -1.217 107.655 108.800 0.121 0.000 3.291 679 G HA2 0.396 4.357 3.960 0.001 0.000 0.173 679 G HA3 0.396 4.357 3.960 0.001 0.000 0.173 679 G C 0.531 175.532 174.900 0.169 0.000 1.099 679 G CA 0.507 45.709 45.100 0.170 0.000 0.794 679 G HN 0.854 nan 8.290 nan 0.000 0.651 680 H N -0.493 118.624 119.070 0.078 0.000 2.421 680 H HA 0.155 4.712 4.556 0.001 0.000 0.298 680 H C 1.928 177.284 175.328 0.046 0.000 1.087 680 H CA 2.783 58.868 56.048 0.062 0.000 1.330 680 H CB 0.261 30.062 29.762 0.065 0.000 1.388 680 H HN 0.822 nan 8.280 nan 0.000 0.526 681 G N -2.023 106.813 108.800 0.060 0.000 3.382 681 G HA2 -0.064 3.897 3.960 0.001 0.000 0.214 681 G HA3 -0.064 3.897 3.960 0.001 0.000 0.214 681 G C 0.283 175.200 174.900 0.028 0.000 1.025 681 G CA -0.086 45.013 45.100 -0.002 0.000 0.869 681 G HN 0.598 nan 8.290 nan 0.000 0.458 682 A N 0.669 123.523 122.820 0.058 0.000 2.511 682 A HA 0.571 4.892 4.320 0.001 0.000 0.242 682 A C 1.924 179.536 177.584 0.047 0.000 1.069 682 A CA 1.791 53.858 52.037 0.050 0.000 0.763 682 A CB -0.240 18.801 19.000 0.067 0.000 1.001 682 A HN 2.377 nan 8.150 nan 0.000 0.498 683 G N 1.157 109.977 108.800 0.034 0.000 2.184 683 G HA2 -0.284 3.676 3.960 0.001 0.000 0.264 683 G HA3 -0.284 3.676 3.960 0.001 0.000 0.264 683 G C 0.406 175.324 174.900 0.030 0.000 0.975 683 G CA 0.729 45.848 45.100 0.031 0.000 0.642 683 G HN 1.049 nan 8.290 nan 0.000 0.536 684 K N 1.958 122.376 120.400 0.031 0.000 2.447 684 K HA 0.286 4.606 4.320 0.001 0.000 0.281 684 K C -1.545 175.074 176.600 0.032 0.000 1.031 684 K CA -0.965 55.340 56.287 0.029 0.000 1.019 684 K CB 0.612 33.128 32.500 0.026 0.000 0.918 684 K HN 0.170 nan 8.250 nan 0.000 0.476 685 P HA -0.024 nan 4.420 nan 0.000 0.269 685 P C 0.207 177.535 177.300 0.048 0.000 1.215 685 P CA -0.144 62.975 63.100 0.032 0.000 0.780 685 P CB 0.779 32.492 31.700 0.022 0.000 0.898 686 T N 1.994 116.587 114.554 0.065 0.000 2.685 686 T HA -0.245 4.106 4.350 0.001 0.000 0.268 686 T C 1.856 176.608 174.700 0.087 0.000 1.034 686 T CA 2.445 64.615 62.100 0.117 0.000 1.149 686 T CB -0.711 68.229 68.868 0.120 0.000 0.860 686 T HN 0.563 nan 8.240 nan 0.000 0.449 687 A N 1.390 124.244 122.820 0.057 0.000 1.902 687 A HA -0.137 4.183 4.320 0.001 0.000 0.217 687 A C 2.286 179.894 177.584 0.038 0.000 1.181 687 A CA 1.646 53.711 52.037 0.045 0.000 0.623 687 A CB -0.411 18.608 19.000 0.032 0.000 0.818 687 A HN 0.470 nan 8.150 nan 0.000 0.443 688 K N -0.537 119.884 120.400 0.035 0.000 2.103 688 K HA -0.023 4.298 4.320 0.001 0.000 0.204 688 K C 1.884 178.497 176.600 0.022 0.000 1.052 688 K CA 1.195 57.501 56.287 0.031 0.000 0.945 688 K CB -0.311 32.209 32.500 0.034 0.000 0.722 688 K HN 0.301 nan 8.250 nan 0.000 0.443 689 V N 1.972 121.896 119.914 0.018 0.000 2.332 689 V HA -0.276 3.844 4.120 0.001 0.000 0.248 689 V C 2.177 178.257 176.094 -0.024 0.000 1.055 689 V CA 1.716 64.008 62.300 -0.013 0.000 1.038 689 V CB -0.393 31.410 31.823 -0.032 0.000 0.651 689 V HN 0.278 nan 8.190 nan 0.000 0.450 690 I N -0.478 120.088 120.570 -0.005 0.000 2.179 690 I HA -0.182 3.988 4.170 0.001 0.000 0.242 690 I C 2.667 178.814 176.117 0.050 0.000 1.088 690 I CA 1.273 62.586 61.300 0.022 0.000 1.357 690 I CB -0.443 37.587 38.000 0.050 0.000 1.051 690 I HN 0.293 nan 8.210 nan 0.000 0.409 691 E N 0.606 120.824 120.200 0.030 0.000 2.085 691 E HA -0.294 4.056 4.350 0.001 0.000 0.194 691 E C 1.950 178.542 176.600 -0.012 0.000 0.994 691 E CA 1.419 57.826 56.400 0.011 0.000 0.801 691 E CB -0.325 29.377 29.700 0.002 0.000 0.743 691 E HN 0.571 nan 8.360 nan 0.000 0.453 692 E N 0.665 120.860 120.200 -0.009 0.000 2.047 692 E HA -0.146 4.204 4.350 0.001 0.000 0.191 692 E C 2.195 178.778 176.600 -0.028 0.000 0.987 692 E CA 1.759 58.142 56.400 -0.028 0.000 0.799 692 E CB 0.117 29.811 29.700 -0.011 0.000 0.752 692 E HN 0.164 nan 8.360 nan 0.000 0.449 693 V N -1.116 118.813 119.914 0.025 0.000 2.515 693 V HA -0.141 3.979 4.120 0.001 0.000 0.250 693 V C 2.203 178.298 176.094 0.002 0.000 1.058 693 V CA 1.779 64.134 62.300 0.092 0.000 1.064 693 V CB -0.484 31.481 31.823 0.237 0.000 0.675 693 V HN 0.111 nan 8.190 nan 0.000 0.461 694 S N 0.759 116.477 115.700 0.029 0.000 2.368 694 S HA -0.195 4.275 4.470 0.001 0.000 0.225 694 S C 1.714 176.261 174.600 -0.088 0.000 1.030 694 S CA 1.803 59.984 58.200 -0.031 0.000 0.999 694 S CB -0.568 62.695 63.200 0.105 0.000 0.844 694 S HN 0.683 nan 8.310 nan 0.000 0.459 695 D N 1.347 121.704 120.400 -0.072 0.000 2.097 695 D HA -0.047 4.594 4.640 0.001 0.000 0.195 695 D C 1.932 178.197 176.300 -0.060 0.000 0.989 695 D CA 1.072 55.026 54.000 -0.078 0.000 0.827 695 D CB -0.318 40.394 40.800 -0.147 0.000 0.966 695 D HN 0.333 nan 8.370 nan 0.000 0.456 696 M N -0.680 118.836 119.600 -0.140 0.000 2.065 696 M HA -0.157 4.323 4.480 0.001 0.000 0.259 696 M C 1.903 178.025 176.300 -0.296 0.000 1.069 696 M CA 1.411 56.563 55.300 -0.246 0.000 1.110 696 M CB -0.248 32.101 32.600 -0.419 0.000 1.328 696 M HN -0.026 nan 8.290 nan 0.000 0.405 697 F N -0.509 119.328 119.950 -0.188 0.000 2.512 697 F HA 0.088 4.616 4.527 0.001 0.000 0.296 697 F C 2.442 178.228 175.800 -0.023 0.000 1.110 697 F CA 0.770 58.673 58.000 -0.163 0.000 1.446 697 F CB -0.779 37.933 39.000 -0.480 0.000 1.092 697 F HN 0.085 nan 8.300 nan 0.000 0.554 698 A N -0.069 122.797 122.820 0.076 0.000 1.898 698 A HA -0.195 4.126 4.320 0.001 0.000 0.216 698 A C 2.065 179.744 177.584 0.159 0.000 1.181 698 A CA 1.207 53.306 52.037 0.104 0.000 0.620 698 A CB -1.239 17.793 19.000 0.052 0.000 0.819 698 A HN 0.351 nan 8.150 nan 0.000 0.442 699 F N 0.808 120.789 119.950 0.052 0.000 2.069 699 F HA -0.194 4.334 4.527 0.001 0.000 0.298 699 F C 2.002 177.892 175.800 0.151 0.000 1.113 699 F CA 1.833 59.914 58.000 0.136 0.000 1.214 699 F CB -0.363 38.688 39.000 0.086 0.000 0.978 699 F HN 0.187 nan 8.300 nan 0.000 0.474 700 I N 0.153 120.813 120.570 0.151 0.000 2.163 700 I HA -0.357 3.813 4.170 0.001 0.000 0.243 700 I C 2.676 178.873 176.117 0.133 0.000 1.085 700 I CA 1.395 62.766 61.300 0.119 0.000 1.347 700 I CB -1.017 37.120 38.000 0.228 0.000 1.044 700 I HN 0.239 nan 8.210 nan 0.000 0.408 701 A N 0.644 123.579 122.820 0.193 0.000 1.902 701 A HA -0.255 4.065 4.320 0.001 0.000 0.217 701 A C 2.394 180.026 177.584 0.081 0.000 1.181 701 A CA 2.046 54.195 52.037 0.187 0.000 0.623 701 A CB -0.609 18.530 19.000 0.233 0.000 0.818 701 A HN 0.372 nan 8.150 nan 0.000 0.443 702 R N -0.830 119.673 120.500 0.005 0.000 2.062 702 R HA -0.102 4.238 4.340 0.001 0.000 0.229 702 R C 2.083 178.359 176.300 -0.040 0.000 1.128 702 R CA 2.026 58.085 56.100 -0.069 0.000 0.960 702 R CB -0.831 29.334 30.300 -0.224 0.000 0.855 702 R HN 0.506 nan 8.270 nan 0.000 0.432 703 C N 0.197 119.442 119.300 -0.092 0.000 2.440 703 C HA 0.057 4.517 4.460 0.001 0.000 0.278 703 C C 2.057 177.041 174.990 -0.009 0.000 1.295 703 C CA 0.416 59.382 59.018 -0.087 0.000 1.738 703 C CB -0.631 26.920 27.740 -0.316 0.000 1.987 703 C HN 0.506 nan 8.230 nan 0.000 0.492 704 L N 0.398 121.635 121.223 0.023 0.000 2.640 704 L HA 0.185 4.525 4.340 0.001 0.000 0.230 704 L C 0.502 177.415 176.870 0.072 0.000 1.123 704 L CA 0.097 54.977 54.840 0.067 0.000 0.900 704 L CB -0.657 41.472 42.059 0.116 0.000 1.146 704 L HN 0.291 nan 8.230 nan 0.000 0.484 705 N N 1.901 120.637 118.700 0.060 0.000 2.696 705 N HA -0.204 4.536 4.740 0.001 0.000 0.256 705 N C -0.557 175.003 175.510 0.083 0.000 1.031 705 N CA 0.508 53.593 53.050 0.059 0.000 0.730 705 N CB -1.125 37.388 38.487 0.043 0.000 0.894 705 N HN 0.335 nan 8.380 nan 0.000 0.544 706 I N 0.583 121.224 120.570 0.118 0.000 2.365 706 I HA 0.169 4.339 4.170 0.001 0.000 0.291 706 I C 0.573 176.785 176.117 0.158 0.000 1.004 706 I CA -0.690 60.694 61.300 0.140 0.000 1.311 706 I CB 0.822 38.937 38.000 0.192 0.000 1.401 706 I HN 0.067 nan 8.210 nan 0.000 0.491 707 D N 5.756 126.236 120.400 0.134 0.000 2.345 707 D HA 0.005 4.645 4.640 0.001 0.000 0.247 707 D C -0.421 176.013 176.300 0.224 0.000 1.108 707 D CA -0.178 53.920 54.000 0.163 0.000 0.894 707 D CB 1.191 42.058 40.800 0.112 0.000 1.203 707 D HN 0.432 nan 8.370 nan 0.000 0.430 708 W N 3.439 124.785 121.300 0.077 0.000 2.210 708 W HA 0.156 4.816 4.660 0.001 0.000 0.330 708 W C -0.714 175.857 176.519 0.088 0.000 1.334 708 W CA -0.255 57.147 57.345 0.094 0.000 1.227 708 W CB 0.408 29.917 29.460 0.082 0.000 1.178 708 W HN 0.275 nan 8.180 nan 0.000 0.560 709 I N 9.205 129.520 120.570 -0.425 0.000 2.330 709 I HA 0.161 4.331 4.170 0.001 0.000 0.286 709 I C -1.792 174.092 176.117 -0.389 0.000 1.025 709 I CA -2.188 58.931 61.300 -0.302 0.000 1.197 709 I CB 1.018 38.866 38.000 -0.254 0.000 1.358 709 I HN 0.107 nan 8.210 nan 0.000 0.467 710 P HA 0.000 nan 4.420 nan 0.000 0.216 710 P CA 0.000 63.189 63.100 0.148 0.000 0.800 710 P CB 0.000 31.819 31.700 0.198 0.000 0.726