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 2z0f_1_B DATA FIRST_RESID 1 DATA SEQUENCE MEITRLLTLY YEATPDPQNP LEGVRFGTSG HRGSSLKATF TEAHVLAIAQ DATA SEQUENCE AIAELRPSFG ATGPLFLAKD THALSEPAWA TALSVFAAHG IEVRVEADGD DATA SEQUENCE YTPTPLVSLA ILEHNAHHEA KADGVLLTPS XXPPEDGGFK YNPPTGGPAN DATA SEQUENCE ARITRAIEER ANALLQEGLK GVKRLPLREA LARAKPFDYA GLYVEKVAEA DATA SEQUENCE VDLEAIRASG LRIGVDPLGG ASLRVWERLA ESHGLPLEVV NXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXMA GLLALKDRFD LAIGNDPDAD RHGIVTPRGL DATA SEQUENCE MNPNHYLAAA LHHLYTTRSW PGAKVGKTAV TSALLDRVAQ ALGREVYETP DATA SEQUENCE VGFKHFVAGL LEGWLGFAGE ESAGASFLRF DGRPFSTDKD GILMGLLAAE DATA SEQUENCE LMAKRGQAPD ALYEALAEKL GRPYYARKDL PVSPEAKARL ARLSAKEVHP DATA SEQUENCE STLAGEPVLQ VLDRATGNGE PLGGIKVVAA NAWFAVRPSG TEDVAKVYAE DATA SEQUENCE SFLGEAHLER VLEEATALLH KALA 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 0.000 176.318 176.300 0.031 0.000 1.140 1 M CA 0.000 55.317 55.300 0.028 0.000 0.988 1 M CB 0.000 32.616 32.600 0.027 0.000 1.302 2 E N 0.671 120.887 120.200 0.027 0.000 2.176 2 E HA 0.135 4.482 4.350 -0.005 0.000 0.194 2 E C 1.426 178.047 176.600 0.036 0.000 0.947 2 E CA 0.580 56.996 56.400 0.028 0.000 0.960 2 E CB 0.319 30.030 29.700 0.017 0.000 1.002 2 E HN 0.691 nan 8.360 nan 0.000 0.479 3 I N 1.324 121.912 120.570 0.030 0.000 2.233 3 I HA -0.201 3.966 4.170 -0.005 0.000 0.243 3 I C 2.478 178.627 176.117 0.053 0.000 1.093 3 I CA 1.994 63.316 61.300 0.036 0.000 1.380 3 I CB -0.195 37.818 38.000 0.021 0.000 1.067 3 I HN 0.347 nan 8.210 nan 0.000 0.413 4 T N -1.332 113.252 114.554 0.050 0.000 2.833 4 T HA -0.254 4.093 4.350 -0.005 0.000 0.269 4 T C 2.085 176.832 174.700 0.078 0.000 1.054 4 T CA 1.405 63.542 62.100 0.061 0.000 1.135 4 T CB -0.560 68.336 68.868 0.047 0.000 0.869 4 T HN 0.414 nan 8.240 nan 0.000 0.466 5 R N 0.077 120.619 120.500 0.069 0.000 2.090 5 R HA 0.081 4.418 4.340 -0.005 0.000 0.228 5 R C 2.460 178.821 176.300 0.101 0.000 1.110 5 R CA 0.957 57.104 56.100 0.078 0.000 0.973 5 R CB -0.478 29.858 30.300 0.060 0.000 0.869 5 R HN 0.399 nan 8.270 nan 0.000 0.440 6 L N 0.946 122.227 121.223 0.096 0.000 2.012 6 L HA -0.156 4.181 4.340 -0.005 0.000 0.210 6 L C 1.922 178.891 176.870 0.164 0.000 1.073 6 L CA 1.642 56.552 54.840 0.116 0.000 0.748 6 L CB -0.302 41.811 42.059 0.090 0.000 0.891 6 L HN 0.202 nan 8.230 nan 0.000 0.431 7 L N -1.469 119.849 121.223 0.159 0.000 2.179 7 L HA -0.087 4.251 4.340 -0.005 0.000 0.208 7 L C 2.308 179.372 176.870 0.324 0.000 1.096 7 L CA 1.550 56.520 54.840 0.217 0.000 0.779 7 L CB -0.897 41.269 42.059 0.178 0.000 0.922 7 L HN 0.209 nan 8.230 nan 0.000 0.443 8 T N -0.522 114.176 114.554 0.240 0.000 2.821 8 T HA -0.102 4.245 4.350 -0.005 0.000 0.267 8 T C 1.925 176.773 174.700 0.246 0.000 1.046 8 T CA 1.051 63.294 62.100 0.239 0.000 1.139 8 T CB -0.164 68.789 68.868 0.142 0.000 0.871 8 T HN 0.179 nan 8.240 nan 0.000 0.454 9 L N -0.208 121.136 121.223 0.203 0.000 2.156 9 L HA -0.028 4.309 4.340 -0.005 0.000 0.208 9 L C 2.337 179.312 176.870 0.175 0.000 1.095 9 L CA 1.206 56.145 54.840 0.165 0.000 0.770 9 L CB -0.577 41.562 42.059 0.133 0.000 0.914 9 L HN 0.290 nan 8.230 nan 0.000 0.439 10 Y N 0.129 120.477 120.300 0.081 0.000 2.114 10 Y HA -0.363 4.184 4.550 -0.004 0.000 0.282 10 Y C 2.282 178.113 175.900 -0.115 0.000 1.165 10 Y CA 1.983 60.062 58.100 -0.034 0.000 1.148 10 Y CB -0.347 38.043 38.460 -0.116 0.000 0.972 10 Y HN 0.060 nan 8.280 nan 0.000 0.504 11 Y N -0.774 119.642 120.300 0.192 0.000 2.347 11 Y HA 0.007 4.554 4.550 -0.005 0.000 0.294 11 Y C 2.370 178.280 175.900 0.016 0.000 1.117 11 Y CA 1.265 59.413 58.100 0.080 0.000 1.184 11 Y CB -0.254 38.308 38.460 0.169 0.000 1.047 11 Y HN 0.063 nan 8.280 nan 0.000 0.546 12 E N 0.433 120.754 120.200 0.202 0.000 2.230 12 E HA 0.171 4.518 4.350 -0.005 0.000 0.192 12 E C 0.317 176.954 176.600 0.060 0.000 0.987 12 E CA 0.328 56.797 56.400 0.116 0.000 0.841 12 E CB 0.044 29.811 29.700 0.113 0.000 0.783 12 E HN 0.251 nan 8.360 nan 0.000 0.481 13 A N 0.133 122.980 122.820 0.045 0.000 2.306 13 A HA 0.601 4.918 4.320 -0.005 0.000 0.314 13 A C -0.156 177.419 177.584 -0.015 0.000 1.164 13 A CA -0.214 51.838 52.037 0.025 0.000 0.822 13 A CB 0.670 19.699 19.000 0.048 0.000 1.130 13 A HN 0.152 nan 8.150 nan 0.000 0.496 14 T N 0.566 115.114 114.554 -0.011 0.000 2.912 14 T HA 0.744 5.091 4.350 -0.005 0.000 0.299 14 T C -2.943 171.746 174.700 -0.018 0.000 1.052 14 T CA -1.630 60.441 62.100 -0.047 0.000 0.996 14 T CB 1.626 70.452 68.868 -0.069 0.000 1.070 14 T HN 0.525 nan 8.240 nan 0.000 0.465 15 P HA 0.167 nan 4.420 nan 0.000 0.269 15 P C -0.696 176.591 177.300 -0.022 0.000 1.209 15 P CA -0.177 62.928 63.100 0.009 0.000 0.776 15 P CB 0.588 32.261 31.700 -0.044 0.000 0.876 16 D N 3.821 124.227 120.400 0.010 0.000 2.358 16 D HA 0.020 4.657 4.640 -0.005 0.000 0.258 16 D C -0.968 175.325 176.300 -0.011 0.000 1.223 16 D CA -1.851 52.149 54.000 0.000 0.000 0.886 16 D CB 0.830 41.639 40.800 0.014 0.000 1.120 16 D HN 0.208 nan 8.370 nan 0.000 0.482 17 P HA -0.199 nan 4.420 nan 0.000 0.216 17 P C 0.851 178.142 177.300 -0.015 0.000 1.150 17 P CA 1.265 64.347 63.100 -0.031 0.000 0.843 17 P CB 0.345 32.024 31.700 -0.035 0.000 0.787 18 Q N -1.312 118.484 119.800 -0.007 0.000 2.451 18 Q HA 0.020 4.357 4.340 -0.005 0.000 0.206 18 Q C 0.764 176.769 176.000 0.008 0.000 0.947 18 Q CA 0.026 55.829 55.803 -0.000 0.000 0.937 18 Q CB -0.219 28.519 28.738 0.001 0.000 1.025 18 Q HN 0.156 nan 8.270 nan 0.000 0.511 19 N N 0.950 119.659 118.700 0.014 0.000 2.589 19 N HA 0.114 4.851 4.740 -0.005 0.000 0.232 19 N C -2.228 173.303 175.510 0.034 0.000 1.015 19 N CA -2.032 51.033 53.050 0.025 0.000 0.931 19 N CB 1.351 39.856 38.487 0.031 0.000 1.150 19 N HN -0.146 nan 8.380 nan 0.000 0.512 20 P HA -0.105 nan 4.420 nan 0.000 0.218 20 P C 1.289 178.625 177.300 0.060 0.000 1.146 20 P CA 0.986 64.110 63.100 0.041 0.000 0.813 20 P CB 0.395 32.115 31.700 0.034 0.000 0.778 21 L N -0.826 120.432 121.223 0.059 0.000 2.465 21 L HA -0.066 4.271 4.340 -0.005 0.000 0.224 21 L C 1.690 178.618 176.870 0.096 0.000 1.145 21 L CA 1.150 56.031 54.840 0.069 0.000 0.834 21 L CB -0.494 41.596 42.059 0.052 0.000 0.944 21 L HN 0.074 nan 8.230 nan 0.000 0.451 22 E N -0.417 119.849 120.200 0.110 0.000 2.498 22 E HA 0.125 4.472 4.350 -0.005 0.000 0.203 22 E C 1.116 177.879 176.600 0.272 0.000 1.013 22 E CA -0.101 56.400 56.400 0.169 0.000 0.927 22 E CB 0.587 30.365 29.700 0.131 0.000 1.012 22 E HN 0.377 nan 8.360 nan 0.000 0.482 23 G N 1.011 109.920 108.800 0.181 0.000 2.535 23 G HA2 0.239 4.197 3.960 -0.005 0.000 0.282 23 G HA3 0.239 4.197 3.960 -0.005 0.000 0.282 23 G C 0.041 175.067 174.900 0.210 0.000 1.350 23 G CA -0.581 44.605 45.100 0.142 0.000 1.039 23 G HN -0.026 nan 8.290 nan 0.000 0.509 24 V N 0.675 120.634 119.914 0.075 0.000 2.446 24 V HA 0.182 4.299 4.120 -0.005 0.000 0.276 24 V C 0.480 176.687 176.094 0.189 0.000 1.030 24 V CA 0.396 62.693 62.300 -0.004 0.000 1.033 24 V CB 0.327 32.108 31.823 -0.069 0.000 0.993 24 V HN 0.571 nan 8.190 nan 0.000 0.477 25 R N 4.686 125.432 120.500 0.410 0.000 2.664 25 R HA 0.313 4.650 4.340 -0.005 0.000 0.281 25 R C -0.842 175.624 176.300 0.277 0.000 1.383 25 R CA -0.409 55.860 56.100 0.281 0.000 1.563 25 R CB 0.596 31.010 30.300 0.190 0.000 1.131 25 R HN 0.560 nan 8.270 nan 0.000 0.599 26 F N 1.748 121.791 119.950 0.155 0.000 2.468 26 F HA 0.284 4.809 4.527 -0.004 0.000 0.356 26 F C 0.953 176.800 175.800 0.077 0.000 1.167 26 F CA 0.331 58.402 58.000 0.118 0.000 1.135 26 F CB 0.494 39.526 39.000 0.054 0.000 1.197 26 F HN 0.415 nan 8.300 nan 0.000 0.569 27 G N 2.338 111.233 108.800 0.158 0.000 3.008 27 G HA2 0.147 4.104 3.960 -0.005 0.000 0.181 27 G HA3 0.147 4.104 3.960 -0.005 0.000 0.181 27 G C 0.780 175.758 174.900 0.130 0.000 1.309 27 G CA -0.080 45.103 45.100 0.139 0.000 1.009 27 G HN 0.347 nan 8.290 nan 0.000 0.584 28 T N 0.693 115.288 114.554 0.069 0.000 2.803 28 T HA -0.075 4.273 4.350 -0.005 0.000 0.269 28 T C 1.929 176.653 174.700 0.039 0.000 1.052 28 T CA 1.877 64.001 62.100 0.041 0.000 1.136 28 T CB -0.164 68.715 68.868 0.018 0.000 0.864 28 T HN 0.234 nan 8.240 nan 0.000 0.467 29 S N 0.269 115.973 115.700 0.005 0.000 2.574 29 S HA 0.527 4.995 4.470 -0.005 0.000 0.242 29 S C 0.953 175.500 174.600 -0.089 0.000 0.982 29 S CA -0.076 58.109 58.200 -0.025 0.000 0.977 29 S CB 0.201 63.373 63.200 -0.047 0.000 0.814 29 S HN 0.822 nan 8.310 nan 0.000 0.464 30 G N 1.735 110.451 108.800 -0.140 0.000 2.642 30 G HA2 -0.248 3.709 3.960 -0.005 0.000 0.231 30 G HA3 -0.248 3.709 3.960 -0.005 0.000 0.231 30 G C -0.555 173.928 174.900 -0.695 0.000 1.338 30 G CA -0.413 44.314 45.100 -0.622 0.000 0.883 30 G HN 0.612 nan 8.290 nan 0.000 0.570 31 H N 1.020 119.578 119.070 -0.854 0.000 2.489 31 H HA 0.799 5.353 4.556 -0.004 0.000 0.322 31 H C 0.641 175.908 175.328 -0.102 0.000 1.091 31 H CA -0.276 55.549 56.048 -0.371 0.000 1.291 31 H CB 0.635 30.254 29.762 -0.239 0.000 1.436 31 H HN 0.687 nan 8.280 nan 0.000 0.480 32 R N 3.065 123.105 120.500 -0.767 0.000 2.808 32 R HA 0.672 5.009 4.340 -0.005 0.000 0.272 32 R C -0.818 175.169 176.300 -0.521 0.000 0.995 32 R CA -0.582 55.209 56.100 -0.515 0.000 0.917 32 R CB 2.414 32.511 30.300 -0.339 0.000 1.217 32 R HN 0.895 nan 8.270 nan 0.000 0.471 33 G N -0.128 108.491 108.800 -0.301 0.000 2.399 33 G HA2 0.321 4.278 3.960 -0.005 0.000 0.256 33 G HA3 0.321 4.278 3.960 -0.005 0.000 0.256 33 G C -1.639 173.227 174.900 -0.057 0.000 1.236 33 G CA -0.164 44.851 45.100 -0.141 0.000 0.914 33 G HN 0.518 nan 8.290 nan 0.000 0.482 34 S N -1.699 114.039 115.700 0.063 0.000 2.550 34 S HA 0.580 5.047 4.470 -0.005 0.000 0.270 34 S C 1.231 175.931 174.600 0.166 0.000 1.145 34 S CA 0.881 59.146 58.200 0.108 0.000 0.852 34 S CB 1.391 64.614 63.200 0.039 0.000 1.119 34 S HN 1.871 nan 8.310 nan 0.000 0.465 35 S N 3.281 119.110 115.700 0.214 0.000 2.428 35 S HA 0.001 4.468 4.470 -0.005 0.000 0.230 35 S C 1.816 176.487 174.600 0.119 0.000 1.014 35 S CA 0.641 58.948 58.200 0.178 0.000 0.957 35 S CB -0.761 62.572 63.200 0.222 0.000 0.784 35 S HN 0.685 nan 8.310 nan 0.000 0.499 36 L N 0.244 121.528 121.223 0.102 0.000 2.187 36 L HA 0.005 4.342 4.340 -0.005 0.000 0.213 36 L C 2.251 179.158 176.870 0.062 0.000 1.100 36 L CA 1.049 55.933 54.840 0.074 0.000 0.765 36 L CB -0.420 41.674 42.059 0.059 0.000 0.904 36 L HN 0.243 nan 8.230 nan 0.000 0.437 37 K N -0.373 120.065 120.400 0.064 0.000 2.358 37 K HA 0.304 4.622 4.320 -0.005 0.000 0.200 37 K C 1.041 177.683 176.600 0.070 0.000 1.030 37 K CA 0.584 56.904 56.287 0.055 0.000 1.097 37 K CB 0.867 33.392 32.500 0.041 0.000 0.862 37 K HN 0.123 nan 8.250 nan 0.000 0.534 38 A N 1.180 124.052 122.820 0.086 0.000 2.887 38 A HA -0.194 4.124 4.320 -0.005 0.000 0.257 38 A C 1.254 178.927 177.584 0.147 0.000 1.372 38 A CA 1.741 53.843 52.037 0.108 0.000 0.879 38 A CB -2.621 16.434 19.000 0.091 0.000 1.082 38 A HN 0.388 nan 8.150 nan 0.000 0.703 39 T N -4.523 110.077 114.554 0.077 0.000 3.060 39 T HA 0.504 4.851 4.350 -0.005 0.000 0.249 39 T C 0.159 174.701 174.700 -0.263 0.000 1.079 39 T CA 0.839 62.925 62.100 -0.024 0.000 1.013 39 T CB -0.007 68.865 68.868 0.007 0.000 0.975 39 T HN 1.329 nan 8.240 nan 0.000 0.518 40 F N 2.958 122.759 119.950 -0.248 0.000 3.094 40 F HA 0.473 4.998 4.527 -0.004 0.000 0.385 40 F C -0.250 175.561 175.800 0.018 0.000 1.231 40 F CA -0.730 57.174 58.000 -0.160 0.000 1.207 40 F CB 0.917 39.906 39.000 -0.019 0.000 1.703 40 F HN 0.207 nan 8.300 nan 0.000 0.610 41 T N -0.677 113.737 114.554 -0.234 0.000 2.883 41 T HA 0.321 4.668 4.350 -0.005 0.000 0.284 41 T C 0.907 175.008 174.700 -0.999 0.000 1.041 41 T CA -0.518 61.274 62.100 -0.513 0.000 1.007 41 T CB 1.704 70.460 68.868 -0.188 0.000 1.220 41 T HN 0.506 nan 8.240 nan 0.000 0.552 42 E N -0.016 119.310 120.200 -1.456 0.000 2.160 42 E HA -0.173 4.175 4.350 -0.005 0.000 0.195 42 E C 2.220 178.552 176.600 -0.446 0.000 0.991 42 E CA 1.277 57.057 56.400 -1.033 0.000 0.810 42 E CB -0.477 28.832 29.700 -0.652 0.000 0.742 42 E HN 0.733 nan 8.360 nan 0.000 0.466 43 A N 0.482 123.073 122.820 -0.381 0.000 1.883 43 A HA -0.231 4.086 4.320 -0.005 0.000 0.217 43 A C 1.734 179.114 177.584 -0.339 0.000 1.186 43 A CA 1.995 53.843 52.037 -0.315 0.000 0.624 43 A CB -0.914 17.878 19.000 -0.346 0.000 0.822 43 A HN 0.365 nan 8.150 nan 0.000 0.444 44 H N -1.054 117.825 119.070 -0.318 0.000 2.357 44 H HA -0.034 4.520 4.556 -0.004 0.000 0.301 44 H C 2.016 177.198 175.328 -0.243 0.000 1.082 44 H CA 1.588 57.445 56.048 -0.317 0.000 1.342 44 H CB -0.179 29.355 29.762 -0.380 0.000 1.389 44 H HN 0.264 nan 8.280 nan 0.000 0.511 45 V N 0.474 120.337 119.914 -0.085 0.000 2.548 45 V HA -0.170 3.947 4.120 -0.005 0.000 0.249 45 V C 2.322 178.443 176.094 0.045 0.000 1.055 45 V CA 1.234 63.600 62.300 0.109 0.000 1.065 45 V CB -0.477 31.438 31.823 0.152 0.000 0.681 45 V HN 0.338 nan 8.190 nan 0.000 0.462 46 L N 0.043 121.228 121.223 -0.063 0.000 2.056 46 L HA -0.130 4.208 4.340 -0.005 0.000 0.207 46 L C 2.688 179.492 176.870 -0.111 0.000 1.078 46 L CA 1.544 56.334 54.840 -0.084 0.000 0.749 46 L CB -0.631 41.373 42.059 -0.092 0.000 0.901 46 L HN 0.367 nan 8.230 nan 0.000 0.433 47 A N 0.179 122.917 122.820 -0.136 0.000 1.872 47 A HA -0.125 4.192 4.320 -0.005 0.000 0.214 47 A C 2.167 179.652 177.584 -0.166 0.000 1.187 47 A CA 1.218 53.165 52.037 -0.149 0.000 0.614 47 A CB -0.550 18.345 19.000 -0.174 0.000 0.826 47 A HN 0.321 nan 8.150 nan 0.000 0.442 48 I N -0.125 120.326 120.570 -0.197 0.000 2.226 48 I HA -0.264 3.904 4.170 -0.005 0.000 0.245 48 I C 2.953 178.911 176.117 -0.265 0.000 1.100 48 I CA 1.090 62.201 61.300 -0.315 0.000 1.374 48 I CB -0.375 37.253 38.000 -0.620 0.000 1.057 48 I HN 0.350 nan 8.210 nan 0.000 0.413 49 A N 0.232 122.976 122.820 -0.128 0.000 1.898 49 A HA -0.274 4.043 4.320 -0.005 0.000 0.216 49 A C 2.245 179.664 177.584 -0.275 0.000 1.181 49 A CA 1.886 53.806 52.037 -0.195 0.000 0.620 49 A CB -0.596 18.144 19.000 -0.434 0.000 0.819 49 A HN 0.415 nan 8.150 nan 0.000 0.442 50 Q N 0.112 119.782 119.800 -0.216 0.000 2.020 50 Q HA -0.063 4.274 4.340 -0.005 0.000 0.202 50 Q C 2.073 177.954 176.000 -0.197 0.000 0.982 50 Q CA 2.434 58.126 55.803 -0.184 0.000 0.838 50 Q CB -0.710 27.966 28.738 -0.103 0.000 0.899 50 Q HN 0.529 nan 8.270 nan 0.000 0.423 51 A N 0.401 123.116 122.820 -0.174 0.000 1.883 51 A HA -0.184 4.134 4.320 -0.005 0.000 0.217 51 A C 2.195 179.651 177.584 -0.214 0.000 1.186 51 A CA 1.758 53.683 52.037 -0.186 0.000 0.624 51 A CB -0.903 17.985 19.000 -0.185 0.000 0.822 51 A HN 0.514 nan 8.150 nan 0.000 0.444 52 I N -0.395 120.077 120.570 -0.164 0.000 2.286 52 I HA -0.262 3.905 4.170 -0.005 0.000 0.248 52 I C 2.909 178.963 176.117 -0.105 0.000 1.115 52 I CA 0.968 62.177 61.300 -0.151 0.000 1.392 52 I CB -0.367 37.637 38.000 0.006 0.000 1.065 52 I HN 0.374 nan 8.210 nan 0.000 0.418 53 A N 0.544 123.343 122.820 -0.036 0.000 1.972 53 A HA -0.195 4.122 4.320 -0.005 0.000 0.219 53 A C 2.185 179.585 177.584 -0.307 0.000 1.169 53 A CA 1.546 53.476 52.037 -0.178 0.000 0.635 53 A CB -0.417 18.249 19.000 -0.556 0.000 0.810 53 A HN 0.466 nan 8.150 nan 0.000 0.446 54 E N -0.356 119.659 120.200 -0.308 0.000 2.086 54 E HA 0.009 4.356 4.350 -0.005 0.000 0.190 54 E C 1.678 178.102 176.600 -0.295 0.000 0.975 54 E CA 0.865 57.119 56.400 -0.243 0.000 0.813 54 E CB -0.168 29.419 29.700 -0.188 0.000 0.768 54 E HN 0.607 nan 8.360 nan 0.000 0.457 55 L N 0.512 121.472 121.223 -0.437 0.000 2.509 55 L HA 0.091 4.428 4.340 -0.005 0.000 0.222 55 L C 2.446 178.696 176.870 -1.032 0.000 1.123 55 L CA 0.052 54.430 54.840 -0.769 0.000 0.856 55 L CB -0.179 41.281 42.059 -0.997 0.000 0.985 55 L HN 0.023 nan 8.230 nan 0.000 0.456 56 R N 1.076 121.215 120.500 -0.602 0.000 2.133 56 R HA -0.218 4.119 4.340 -0.005 0.000 0.245 56 R C -0.461 175.728 176.300 -0.185 0.000 1.137 56 R CA 2.307 58.231 56.100 -0.293 0.000 0.947 56 R CB -1.138 29.080 30.300 -0.137 0.000 0.865 56 R HN 0.207 nan 8.270 nan 0.000 0.437 57 P HA -0.171 nan 4.420 nan 0.000 0.214 57 P C 1.299 178.554 177.300 -0.075 0.000 1.163 57 P CA 2.214 65.260 63.100 -0.091 0.000 0.883 57 P CB -0.150 31.497 31.700 -0.089 0.000 0.788 58 S N -1.489 114.110 115.700 -0.167 0.000 2.419 58 S HA -0.160 4.308 4.470 -0.005 0.000 0.235 58 S C 1.596 176.255 174.600 0.098 0.000 1.019 58 S CA 1.166 59.316 58.200 -0.084 0.000 0.982 58 S CB -1.527 61.579 63.200 -0.157 0.000 0.789 58 S HN -0.072 nan 8.310 nan 0.000 0.490 59 F N 2.194 122.150 119.950 0.010 0.000 2.811 59 F HA 0.384 4.909 4.527 -0.004 0.000 0.301 59 F C 2.103 177.930 175.800 0.045 0.000 1.151 59 F CA -0.670 57.354 58.000 0.040 0.000 1.412 59 F CB -1.074 37.982 39.000 0.094 0.000 1.113 59 F HN 0.440 nan 8.300 nan 0.000 0.579 60 G N 0.191 109.105 108.800 0.190 0.000 2.132 60 G HA2 -0.015 3.942 3.960 -0.005 0.000 0.228 60 G HA3 -0.015 3.942 3.960 -0.005 0.000 0.228 60 G C 0.118 175.084 174.900 0.110 0.000 1.000 60 G CA -0.035 45.137 45.100 0.121 0.000 0.693 60 G HN 0.686 nan 8.290 nan 0.000 0.515 61 A N 0.253 123.144 122.820 0.118 0.000 2.267 61 A HA 0.824 5.141 4.320 -0.005 0.000 0.315 61 A C 0.972 178.580 177.584 0.039 0.000 1.297 61 A CA 0.735 52.826 52.037 0.090 0.000 0.865 61 A CB 0.832 19.915 19.000 0.138 0.000 1.165 61 A HN 1.276 nan 8.150 nan 0.000 0.513 62 T N -0.413 114.160 114.554 0.031 0.000 3.004 62 T HA 0.376 4.723 4.350 -0.005 0.000 0.266 62 T C 0.988 175.692 174.700 0.006 0.000 0.986 62 T CA 0.574 62.682 62.100 0.014 0.000 0.902 62 T CB 0.236 69.118 68.868 0.024 0.000 1.118 62 T HN 0.794 nan 8.240 nan 0.000 0.522 63 G N 2.714 111.516 108.800 0.004 0.000 2.630 63 G HA2 0.612 4.569 3.960 -0.005 0.000 0.223 63 G HA3 0.612 4.569 3.960 -0.005 0.000 0.223 63 G C -2.470 172.344 174.900 -0.144 0.000 1.434 63 G CA -1.428 43.661 45.100 -0.018 0.000 1.057 63 G HN 0.238 nan 8.290 nan 0.000 0.570 64 P HA 0.217 nan 4.420 nan 0.000 0.274 64 P C -0.933 176.078 177.300 -0.482 0.000 1.246 64 P CA -0.209 62.633 63.100 -0.431 0.000 0.795 64 P CB 1.494 32.814 31.700 -0.634 0.000 1.006 65 L N 1.914 122.851 121.223 -0.477 0.000 2.319 65 L HA 0.435 4.772 4.340 -0.005 0.000 0.281 65 L C -0.816 175.813 176.870 -0.402 0.000 1.005 65 L CA -0.993 53.622 54.840 -0.374 0.000 0.828 65 L CB 0.255 42.065 42.059 -0.416 0.000 1.227 65 L HN 0.119 nan 8.230 nan 0.000 0.415 66 F N 5.801 125.662 119.950 -0.150 0.000 2.434 66 F HA 0.237 4.761 4.527 -0.004 0.000 0.358 66 F C 0.124 175.959 175.800 0.058 0.000 1.136 66 F CA -0.168 57.810 58.000 -0.036 0.000 1.157 66 F CB 0.904 39.888 39.000 -0.026 0.000 1.167 66 F HN 0.328 nan 8.300 nan 0.000 0.539 67 L N 4.029 125.393 121.223 0.235 0.000 2.312 67 L HA 0.821 5.158 4.340 -0.005 0.000 0.281 67 L C -0.276 176.794 176.870 0.332 0.000 1.070 67 L CA -0.236 54.721 54.840 0.195 0.000 0.805 67 L CB 0.833 42.912 42.059 0.034 0.000 1.174 67 L HN 0.640 nan 8.230 nan 0.000 0.434 68 A N 4.643 127.620 122.820 0.261 0.000 2.593 68 A HA 0.891 5.208 4.320 -0.005 0.000 0.290 68 A C -1.590 176.152 177.584 0.264 0.000 1.126 68 A CA -0.612 51.546 52.037 0.202 0.000 0.695 68 A CB 1.604 20.562 19.000 -0.070 0.000 1.290 68 A HN 0.723 nan 8.150 nan 0.000 0.414 69 K N 0.294 120.797 120.400 0.171 0.000 2.562 69 K HA 0.571 4.888 4.320 -0.005 0.000 0.267 69 K C -1.570 175.117 176.600 0.145 0.000 0.938 69 K CA -0.664 55.722 56.287 0.164 0.000 0.840 69 K CB 1.850 34.452 32.500 0.170 0.000 1.390 69 K HN 0.698 nan 8.250 nan 0.000 0.428 70 D N 0.529 120.985 120.400 0.094 0.000 2.539 70 D HA 0.070 4.707 4.640 -0.005 0.000 0.280 70 D C 0.748 176.975 176.300 -0.121 0.000 1.208 70 D CA -0.125 53.886 54.000 0.019 0.000 1.088 70 D CB 0.295 41.106 40.800 0.018 0.000 1.149 70 D HN 0.638 nan 8.370 nan 0.000 0.596 71 T N -4.336 110.002 114.554 -0.361 0.000 3.169 71 T HA 0.014 4.361 4.350 -0.005 0.000 0.250 71 T C 0.727 175.238 174.700 -0.314 0.000 1.111 71 T CA -0.140 61.592 62.100 -0.613 0.000 1.010 71 T CB -0.763 67.694 68.868 -0.685 0.000 0.984 71 T HN 0.318 nan 8.240 nan 0.000 0.537 72 H N 0.930 119.886 119.070 -0.190 0.000 2.848 72 H HA 0.366 4.919 4.556 -0.004 0.000 0.341 72 H C 1.705 176.975 175.328 -0.097 0.000 1.060 72 H CA 0.311 56.276 56.048 -0.138 0.000 1.444 72 H CB 1.315 30.992 29.762 -0.141 0.000 1.446 72 H HN 0.318 nan 8.280 nan 0.000 0.583 73 A N 4.791 127.610 122.820 -0.001 0.000 1.869 73 A HA -0.208 4.109 4.320 -0.005 0.000 0.218 73 A C 2.478 180.077 177.584 0.025 0.000 1.203 73 A CA 1.438 53.480 52.037 0.008 0.000 0.638 73 A CB -0.749 18.256 19.000 0.009 0.000 0.831 73 A HN 0.753 nan 8.150 nan 0.000 0.450 74 L N 0.077 121.321 121.223 0.036 0.000 2.450 74 L HA -0.130 4.207 4.340 -0.005 0.000 0.224 74 L C 2.583 179.482 176.870 0.049 0.000 1.149 74 L CA 0.936 55.800 54.840 0.039 0.000 0.816 74 L CB -0.297 41.837 42.059 0.126 0.000 0.932 74 L HN 0.350 nan 8.230 nan 0.000 0.449 75 S N -0.381 115.349 115.700 0.051 0.000 2.383 75 S HA -0.200 4.267 4.470 -0.005 0.000 0.227 75 S C 1.763 176.430 174.600 0.113 0.000 1.026 75 S CA 1.226 59.484 58.200 0.096 0.000 0.981 75 S CB -0.056 63.198 63.200 0.090 0.000 0.818 75 S HN 0.424 nan 8.310 nan 0.000 0.472 76 E N 1.903 122.142 120.200 0.065 0.000 2.021 76 E HA -0.132 4.215 4.350 -0.005 0.000 0.200 76 E C -0.896 175.749 176.600 0.075 0.000 1.015 76 E CA 1.893 58.330 56.400 0.063 0.000 0.824 76 E CB -1.066 28.658 29.700 0.040 0.000 0.762 76 E HN 0.321 nan 8.360 nan 0.000 0.454 77 P HA -0.123 nan 4.420 nan 0.000 0.216 77 P C 1.004 178.211 177.300 -0.155 0.000 1.150 77 P CA 2.150 65.108 63.100 -0.237 0.000 0.837 77 P CB -0.210 30.925 31.700 -0.941 0.000 0.786 78 A N -1.137 121.608 122.820 -0.125 0.000 1.883 78 A HA -0.215 4.102 4.320 -0.005 0.000 0.217 78 A C 2.227 179.920 177.584 0.182 0.000 1.186 78 A CA 1.698 53.823 52.037 0.146 0.000 0.624 78 A CB -2.027 17.164 19.000 0.319 0.000 0.822 78 A HN 0.246 nan 8.150 nan 0.000 0.444 79 W N 0.541 121.852 121.300 0.018 0.000 2.318 79 W HA -0.230 4.427 4.660 -0.004 0.000 0.313 79 W C 2.526 179.081 176.519 0.060 0.000 1.221 79 W CA 2.752 60.118 57.345 0.035 0.000 1.266 79 W CB -0.239 29.245 29.460 0.041 0.000 1.150 79 W HN 0.386 nan 8.180 nan 0.000 0.496 80 A N -0.563 122.495 122.820 0.396 0.000 1.877 80 A HA -0.214 4.104 4.320 -0.005 0.000 0.216 80 A C 1.895 179.538 177.584 0.097 0.000 1.186 80 A CA 2.556 54.748 52.037 0.260 0.000 0.620 80 A CB -1.409 17.780 19.000 0.314 0.000 0.822 80 A HN 0.327 nan 8.150 nan 0.000 0.443 81 T N 0.263 114.893 114.554 0.126 0.000 2.674 81 T HA -0.017 4.331 4.350 -0.005 0.000 0.265 81 T C 2.269 176.948 174.700 -0.036 0.000 1.039 81 T CA 1.739 63.892 62.100 0.088 0.000 1.150 81 T CB -0.536 68.426 68.868 0.157 0.000 0.864 81 T HN 0.605 nan 8.240 nan 0.000 0.427 82 A N 1.529 124.307 122.820 -0.071 0.000 1.858 82 A HA -0.047 4.270 4.320 -0.005 0.000 0.216 82 A C 2.274 179.715 177.584 -0.239 0.000 1.190 82 A CA 1.595 53.500 52.037 -0.221 0.000 0.617 82 A CB -1.009 17.934 19.000 -0.095 0.000 0.827 82 A HN 0.411 nan 8.150 nan 0.000 0.443 83 L N 0.242 121.345 121.223 -0.200 0.000 2.043 83 L HA -0.170 4.168 4.340 -0.005 0.000 0.212 83 L C 2.445 179.262 176.870 -0.088 0.000 1.075 83 L CA 2.744 57.466 54.840 -0.197 0.000 0.752 83 L CB -0.779 40.947 42.059 -0.554 0.000 0.891 83 L HN 0.301 nan 8.230 nan 0.000 0.432 84 S N -0.997 114.650 115.700 -0.089 0.000 2.368 84 S HA -0.172 4.295 4.470 -0.005 0.000 0.225 84 S C 1.977 176.558 174.600 -0.033 0.000 1.030 84 S CA 1.568 59.746 58.200 -0.036 0.000 0.999 84 S CB -0.672 62.526 63.200 -0.003 0.000 0.844 84 S HN 0.596 nan 8.310 nan 0.000 0.459 85 V N -0.350 119.504 119.914 -0.100 0.000 2.346 85 V HA -0.015 4.102 4.120 -0.005 0.000 0.244 85 V C 1.851 177.986 176.094 0.068 0.000 1.037 85 V CA 1.281 63.543 62.300 -0.064 0.000 1.029 85 V CB -1.089 30.635 31.823 -0.166 0.000 0.663 85 V HN 0.304 nan 8.190 nan 0.000 0.454 86 F N 2.201 122.195 119.950 0.074 0.000 2.065 86 F HA -0.075 4.449 4.527 -0.005 0.000 0.298 86 F C 2.872 178.709 175.800 0.062 0.000 1.112 86 F CA 2.001 60.036 58.000 0.059 0.000 1.212 86 F CB -1.583 37.412 39.000 -0.009 0.000 0.975 86 F HN 0.292 nan 8.300 nan 0.000 0.476 87 A N -0.152 122.788 122.820 0.200 0.000 1.978 87 A HA -0.072 4.245 4.320 -0.005 0.000 0.220 87 A C 2.354 179.980 177.584 0.069 0.000 1.170 87 A CA 1.768 53.863 52.037 0.097 0.000 0.636 87 A CB -1.279 17.745 19.000 0.041 0.000 0.810 87 A HN 0.326 nan 8.150 nan 0.000 0.448 88 A N -2.042 120.813 122.820 0.059 0.000 2.168 88 A HA -0.081 4.236 4.320 -0.005 0.000 0.215 88 A C 1.633 179.148 177.584 -0.115 0.000 1.152 88 A CA 0.969 52.986 52.037 -0.034 0.000 0.716 88 A CB -0.619 18.340 19.000 -0.068 0.000 0.794 88 A HN 0.659 nan 8.150 nan 0.000 0.465 89 H N -1.166 117.927 119.070 0.038 0.000 2.505 89 H HA 0.231 4.784 4.556 -0.005 0.000 0.289 89 H C 1.674 177.017 175.328 0.025 0.000 1.052 89 H CA 0.447 56.517 56.048 0.036 0.000 1.156 89 H CB 0.055 29.859 29.762 0.070 0.000 1.507 89 H HN 0.590 nan 8.280 nan 0.000 0.548 90 G N 2.074 110.922 108.800 0.080 0.000 2.205 90 G HA2 -0.337 3.620 3.960 -0.005 0.000 0.269 90 G HA3 -0.337 3.620 3.960 -0.005 0.000 0.269 90 G C 0.621 175.546 174.900 0.042 0.000 0.977 90 G CA 0.714 45.841 45.100 0.045 0.000 0.652 90 G HN 0.493 nan 8.290 nan 0.000 0.539 91 I N -0.556 120.054 120.570 0.068 0.000 2.634 91 I HA 0.569 4.737 4.170 -0.005 0.000 0.284 91 I C 0.415 176.512 176.117 -0.034 0.000 1.124 91 I CA -1.126 60.176 61.300 0.004 0.000 1.417 91 I CB 0.991 38.979 38.000 -0.021 0.000 1.396 91 I HN 0.217 nan 8.210 nan 0.000 0.571 92 E N 6.134 126.288 120.200 -0.078 0.000 2.104 92 E HA 0.272 4.619 4.350 -0.005 0.000 0.278 92 E C -1.240 175.256 176.600 -0.172 0.000 1.127 92 E CA -0.495 55.844 56.400 -0.101 0.000 0.897 92 E CB 0.566 30.204 29.700 -0.104 0.000 1.043 92 E HN 0.653 nan 8.360 nan 0.000 0.410 93 V N 5.763 125.599 119.914 -0.131 0.000 2.465 93 V HA 0.335 4.452 4.120 -0.005 0.000 0.279 93 V C 0.395 176.402 176.094 -0.144 0.000 1.045 93 V CA -0.502 61.700 62.300 -0.163 0.000 0.938 93 V CB 1.281 33.048 31.823 -0.093 0.000 0.986 93 V HN 0.617 nan 8.190 nan 0.000 0.467 94 R N 3.027 123.407 120.500 -0.201 0.000 2.343 94 R HA 0.652 4.989 4.340 -0.005 0.000 0.320 94 R C -0.686 175.704 176.300 0.149 0.000 0.956 94 R CA -0.477 55.560 56.100 -0.105 0.000 0.836 94 R CB 1.955 32.012 30.300 -0.406 0.000 1.151 94 R HN 0.717 nan 8.270 nan 0.000 0.450 95 V N -0.475 119.595 119.914 0.259 0.000 2.881 95 V HA 0.431 4.548 4.120 -0.005 0.000 0.316 95 V C 0.062 176.455 176.094 0.498 0.000 1.070 95 V CA -1.137 61.445 62.300 0.469 0.000 0.976 95 V CB 1.805 33.958 31.823 0.550 0.000 1.038 95 V HN 0.590 nan 8.190 nan 0.000 0.446 96 E N 1.777 122.312 120.200 0.558 0.000 2.558 96 E HA 0.290 4.637 4.350 -0.005 0.000 0.255 96 E C 0.740 177.480 176.600 0.233 0.000 0.968 96 E CA 1.007 57.671 56.400 0.441 0.000 0.939 96 E CB 1.096 30.926 29.700 0.217 0.000 0.921 96 E HN 0.951 nan 8.360 nan 0.000 0.477 97 A N 4.336 127.268 122.820 0.186 0.000 1.901 97 A HA 0.013 4.330 4.320 -0.005 0.000 0.210 97 A C 0.632 178.242 177.584 0.042 0.000 1.208 97 A CA 0.802 52.889 52.037 0.083 0.000 0.644 97 A CB 0.039 19.054 19.000 0.026 0.000 0.863 97 A HN 0.596 nan 8.150 nan 0.000 0.454 98 D N -0.390 120.037 120.400 0.046 0.000 2.443 98 D HA 0.467 5.104 4.640 -0.005 0.000 0.221 98 D C 0.429 176.730 176.300 0.002 0.000 1.097 98 D CA 1.235 55.246 54.000 0.019 0.000 0.865 98 D CB 0.042 40.856 40.800 0.023 0.000 1.034 98 D HN 0.786 nan 8.370 nan 0.000 0.511 99 G N 3.660 112.435 108.800 -0.042 0.000 2.610 99 G HA2 -0.180 3.778 3.960 -0.005 0.000 0.304 99 G HA3 -0.180 3.778 3.960 -0.005 0.000 0.304 99 G C 0.146 174.909 174.900 -0.228 0.000 1.309 99 G CA -0.202 44.834 45.100 -0.107 0.000 0.906 99 G HN 0.443 nan 8.290 nan 0.000 0.521 100 D N -0.704 119.398 120.400 -0.498 0.000 2.449 100 D HA 0.200 4.838 4.640 -0.005 0.000 0.210 100 D C -0.074 175.711 176.300 -0.858 0.000 1.094 100 D CA 0.743 54.276 54.000 -0.779 0.000 0.846 100 D CB 0.601 40.751 40.800 -1.083 0.000 1.003 100 D HN 0.294 nan 8.370 nan 0.000 0.504 101 Y N 0.650 120.879 120.300 -0.118 0.000 2.409 101 Y HA 0.451 4.998 4.550 -0.005 0.000 0.339 101 Y C 0.347 176.179 175.900 -0.113 0.000 1.033 101 Y CA -0.783 57.246 58.100 -0.117 0.000 1.094 101 Y CB 1.798 40.198 38.460 -0.100 0.000 1.210 101 Y HN -0.404 nan 8.280 nan 0.000 0.456 102 T N 5.054 119.606 114.554 -0.004 0.000 2.906 102 T HA 0.324 4.672 4.350 -0.005 0.000 0.302 102 T C -2.907 171.688 174.700 -0.173 0.000 1.002 102 T CA -1.578 60.414 62.100 -0.179 0.000 0.988 102 T CB 1.421 70.006 68.868 -0.472 0.000 0.972 102 T HN 0.282 nan 8.240 nan 0.000 0.447 103 P HA 0.108 nan 4.420 nan 0.000 0.268 103 P C 0.925 178.107 177.300 -0.197 0.000 1.205 103 P CA -0.071 62.925 63.100 -0.175 0.000 0.771 103 P CB 0.740 32.306 31.700 -0.222 0.000 0.858 104 T N 3.711 118.175 114.554 -0.151 0.000 2.649 104 T HA -0.119 4.228 4.350 -0.005 0.000 0.268 104 T C -0.683 173.921 174.700 -0.161 0.000 1.036 104 T CA 2.437 64.452 62.100 -0.141 0.000 1.157 104 T CB -1.713 67.086 68.868 -0.116 0.000 0.861 104 T HN 0.577 nan 8.240 nan 0.000 0.445 105 P HA 0.022 nan 4.420 nan 0.000 0.222 105 P C 1.348 178.566 177.300 -0.135 0.000 1.147 105 P CA 0.775 63.781 63.100 -0.157 0.000 0.790 105 P CB -0.145 31.482 31.700 -0.122 0.000 0.780 106 L N -0.762 120.364 121.223 -0.162 0.000 2.141 106 L HA -0.089 4.248 4.340 -0.005 0.000 0.209 106 L C 2.745 179.602 176.870 -0.021 0.000 1.094 106 L CA 1.357 56.171 54.840 -0.043 0.000 0.763 106 L CB -1.454 40.550 42.059 -0.093 0.000 0.908 106 L HN -0.179 nan 8.230 nan 0.000 0.437 107 V N -1.742 118.086 119.914 -0.144 0.000 2.307 107 V HA -0.261 3.857 4.120 -0.005 0.000 0.245 107 V C 2.646 178.615 176.094 -0.208 0.000 1.045 107 V CA 1.738 63.960 62.300 -0.130 0.000 1.024 107 V CB -0.565 31.183 31.823 -0.124 0.000 0.651 107 V HN 0.511 nan 8.190 nan 0.000 0.449 108 S N -0.017 115.569 115.700 -0.191 0.000 2.365 108 S HA -0.242 4.225 4.470 -0.005 0.000 0.225 108 S C 1.982 176.417 174.600 -0.275 0.000 1.039 108 S CA 2.264 60.335 58.200 -0.216 0.000 1.033 108 S CB -0.401 62.679 63.200 -0.201 0.000 0.887 108 S HN 0.439 nan 8.310 nan 0.000 0.447 109 L N 1.765 122.813 121.223 -0.292 0.000 2.017 109 L HA 0.102 4.439 4.340 -0.005 0.000 0.208 109 L C 2.483 179.189 176.870 -0.273 0.000 1.073 109 L CA 2.198 56.837 54.840 -0.335 0.000 0.745 109 L CB -1.225 40.646 42.059 -0.314 0.000 0.894 109 L HN 0.317 nan 8.230 nan 0.000 0.432 110 A N -0.280 122.346 122.820 -0.323 0.000 1.940 110 A HA -0.187 4.130 4.320 -0.005 0.000 0.219 110 A C 2.252 179.349 177.584 -0.811 0.000 1.176 110 A CA 2.181 53.835 52.037 -0.639 0.000 0.631 110 A CB -0.895 17.416 19.000 -1.148 0.000 0.814 110 A HN 0.554 nan 8.150 nan 0.000 0.446 111 I N -0.524 119.645 120.570 -0.667 0.000 2.202 111 I HA -0.229 3.938 4.170 -0.005 0.000 0.242 111 I C 2.405 178.433 176.117 -0.148 0.000 1.091 111 I CA 0.987 62.084 61.300 -0.339 0.000 1.368 111 I CB -0.410 37.460 38.000 -0.217 0.000 1.058 111 I HN 0.282 nan 8.210 nan 0.000 0.410 112 L N 0.294 121.411 121.223 -0.177 0.000 1.989 112 L HA -0.231 4.106 4.340 -0.005 0.000 0.211 112 L C 2.724 179.542 176.870 -0.087 0.000 1.071 112 L CA 1.411 56.173 54.840 -0.129 0.000 0.749 112 L CB -0.763 41.196 42.059 -0.168 0.000 0.890 112 L HN 0.256 nan 8.230 nan 0.000 0.431 113 E N -0.805 119.350 120.200 -0.075 0.000 2.118 113 E HA -0.257 4.090 4.350 -0.005 0.000 0.195 113 E C 2.071 178.703 176.600 0.054 0.000 0.992 113 E CA 1.171 57.583 56.400 0.021 0.000 0.804 113 E CB -0.385 29.337 29.700 0.037 0.000 0.741 113 E HN 0.532 nan 8.360 nan 0.000 0.458 114 H N 1.265 120.284 119.070 -0.086 0.000 2.307 114 H HA -0.014 4.540 4.556 -0.005 0.000 0.303 114 H C 1.449 176.718 175.328 -0.099 0.000 1.073 114 H CA 1.240 57.215 56.048 -0.122 0.000 1.338 114 H CB 0.294 30.057 29.762 0.002 0.000 1.389 114 H HN 0.072 nan 8.280 nan 0.000 0.503 115 N N 0.817 119.596 118.700 0.130 0.000 2.459 115 N HA -0.056 4.682 4.740 -0.005 0.000 0.181 115 N C 1.682 177.158 175.510 -0.055 0.000 1.046 115 N CA 0.808 53.908 53.050 0.084 0.000 0.904 115 N CB -0.232 38.295 38.487 0.066 0.000 0.964 115 N HN 0.358 nan 8.380 nan 0.000 0.444 116 A N -0.316 122.399 122.820 -0.174 0.000 2.167 116 A HA -0.006 4.311 4.320 -0.005 0.000 0.214 116 A C 0.854 178.035 177.584 -0.671 0.000 1.151 116 A CA 0.870 52.670 52.037 -0.395 0.000 0.735 116 A CB -0.241 18.474 19.000 -0.475 0.000 0.802 116 A HN 0.372 nan 8.150 nan 0.000 0.467 117 H N -2.853 116.183 119.070 -0.058 0.000 3.535 117 H HA 0.283 4.836 4.556 -0.005 0.000 0.260 117 H C -0.067 175.365 175.328 0.172 0.000 1.173 117 H CA -0.265 55.784 56.048 0.002 0.000 1.168 117 H CB 0.397 30.130 29.762 -0.047 0.000 1.568 117 H HN 0.578 nan 8.280 nan 0.000 0.602 118 H N -0.204 118.824 119.070 -0.070 0.000 2.731 118 H HA 0.186 4.739 4.556 -0.005 0.000 0.368 118 H C 0.278 175.612 175.328 0.009 0.000 1.168 118 H CA -0.801 55.201 56.048 -0.077 0.000 1.181 118 H CB 2.504 32.104 29.762 -0.270 0.000 1.743 118 H HN 0.072 nan 8.280 nan 0.000 0.547 119 E N 1.136 121.415 120.200 0.132 0.000 2.102 119 E HA 0.034 4.381 4.350 -0.005 0.000 0.190 119 E C 0.615 177.284 176.600 0.116 0.000 0.971 119 E CA 0.205 56.659 56.400 0.091 0.000 0.821 119 E CB 0.051 29.778 29.700 0.045 0.000 0.777 119 E HN 0.585 nan 8.360 nan 0.000 0.460 120 A N 3.628 126.532 122.820 0.139 0.000 2.797 120 A HA 0.053 4.370 4.320 -0.005 0.000 0.296 120 A C 0.114 177.824 177.584 0.210 0.000 1.580 120 A CA -0.268 51.852 52.037 0.138 0.000 1.277 120 A CB -0.321 18.747 19.000 0.114 0.000 1.101 120 A HN -0.167 nan 8.150 nan 0.000 0.562 121 K N 1.030 121.525 120.400 0.157 0.000 2.469 121 K HA 0.289 4.606 4.320 -0.005 0.000 0.274 121 K C 0.468 177.114 176.600 0.076 0.000 0.983 121 K CA 0.540 56.920 56.287 0.154 0.000 0.974 121 K CB 0.404 32.965 32.500 0.101 0.000 0.913 121 K HN 0.651 nan 8.250 nan 0.000 0.493 122 A N 2.004 124.846 122.820 0.037 0.000 2.299 122 A HA 0.589 4.906 4.320 -0.005 0.000 0.332 122 A C -0.425 177.172 177.584 0.021 0.000 1.131 122 A CA -0.544 51.457 52.037 -0.061 0.000 0.844 122 A CB 0.745 19.633 19.000 -0.187 0.000 1.251 122 A HN 0.792 nan 8.150 nan 0.000 0.486 123 D N -1.186 119.230 120.400 0.026 0.000 2.781 123 D HA 0.730 5.367 4.640 -0.005 0.000 0.295 123 D C -0.241 176.091 176.300 0.054 0.000 1.143 123 D CA -0.147 53.852 54.000 -0.001 0.000 1.076 123 D CB 1.012 41.844 40.800 0.053 0.000 1.444 123 D HN 0.928 nan 8.370 nan 0.000 0.567 124 G N -1.371 107.409 108.800 -0.033 0.000 2.746 124 G HA2 0.531 4.488 3.960 -0.005 0.000 0.297 124 G HA3 0.531 4.488 3.960 -0.005 0.000 0.297 124 G C -1.728 173.242 174.900 0.117 0.000 1.426 124 G CA -0.764 44.379 45.100 0.071 0.000 0.989 124 G HN 0.385 nan 8.290 nan 0.000 0.520 125 V N 1.838 121.852 119.914 0.166 0.000 2.409 125 V HA 0.519 4.636 4.120 -0.005 0.000 0.291 125 V C -0.718 175.449 176.094 0.121 0.000 1.020 125 V CA -0.622 61.823 62.300 0.242 0.000 0.848 125 V CB 1.203 33.198 31.823 0.286 0.000 0.990 125 V HN 0.567 nan 8.190 nan 0.000 0.430 126 L N 6.343 127.633 121.223 0.111 0.000 2.305 126 L HA 0.538 4.875 4.340 -0.005 0.000 0.284 126 L C -0.297 176.580 176.870 0.011 0.000 1.013 126 L CA -0.065 54.807 54.840 0.053 0.000 0.819 126 L CB 1.481 43.562 42.059 0.036 0.000 1.227 126 L HN 0.445 nan 8.230 nan 0.000 0.417 127 L N 3.439 124.664 121.223 0.002 0.000 2.288 127 L HA 0.599 4.936 4.340 -0.005 0.000 0.283 127 L C 0.180 177.049 176.870 -0.001 0.000 1.072 127 L CA 0.038 54.874 54.840 -0.006 0.000 0.862 127 L CB 0.725 42.818 42.059 0.056 0.000 1.245 127 L HN 0.690 nan 8.230 nan 0.000 0.432 128 T N 2.498 117.018 114.554 -0.057 0.000 3.097 128 T HA 0.367 4.714 4.350 -0.005 0.000 0.332 128 T C -2.394 172.157 174.700 -0.248 0.000 1.269 128 T CA -0.993 61.020 62.100 -0.145 0.000 1.076 128 T CB 2.155 70.974 68.868 -0.081 0.000 1.209 128 T HN 0.220 nan 8.240 nan 0.000 0.474 129 P HA 0.180 nan 4.420 nan 0.000 0.245 129 P C 0.161 177.276 177.300 -0.308 0.000 1.206 129 P CA 0.164 62.990 63.100 -0.457 0.000 0.781 129 P CB 0.114 31.410 31.700 -0.674 0.000 0.994 134 P HA -0.008 nan 4.420 nan 0.000 0.199 134 P C 0.260 177.604 177.300 0.073 0.000 1.146 134 P CA 1.571 64.697 63.100 0.042 0.000 0.905 134 P CB 0.225 31.929 31.700 0.006 0.000 0.737 135 E N -0.430 119.804 120.200 0.057 0.000 3.428 135 E HA 0.190 4.538 4.350 -0.005 0.000 0.286 135 E C -1.865 174.753 176.600 0.031 0.000 1.204 135 E CA -0.359 56.086 56.400 0.074 0.000 1.015 135 E CB -0.762 28.954 29.700 0.027 0.000 1.370 135 E HN 0.216 nan 8.360 nan 0.000 0.391 136 D N -1.366 119.018 120.400 -0.026 0.000 2.552 136 D HA 0.663 5.300 4.640 -0.005 0.000 0.239 136 D C 0.547 176.598 176.300 -0.415 0.000 1.139 136 D CA -0.997 52.898 54.000 -0.174 0.000 0.914 136 D CB 0.801 41.489 40.800 -0.187 0.000 1.461 136 D HN 0.143 nan 8.370 nan 0.000 0.462 137 G N -1.526 106.824 108.800 -0.749 0.000 2.528 137 G HA2 0.615 4.572 3.960 -0.005 0.000 0.289 137 G HA3 0.615 4.572 3.960 -0.005 0.000 0.289 137 G C -0.176 173.896 174.900 -1.380 0.000 1.192 137 G CA -0.478 43.667 45.100 -1.591 0.000 0.921 137 G HN 0.714 nan 8.290 nan 0.000 0.512 138 G N -1.436 106.778 108.800 -0.977 0.000 2.759 138 G HA2 0.524 4.481 3.960 -0.005 0.000 0.297 138 G HA3 0.524 4.481 3.960 -0.005 0.000 0.297 138 G C -1.858 173.138 174.900 0.159 0.000 1.434 138 G CA -0.652 44.272 45.100 -0.294 0.000 0.980 138 G HN 0.609 nan 8.290 nan 0.000 0.531 139 F N 1.898 121.929 119.950 0.136 0.000 2.553 139 F HA 0.617 5.141 4.527 -0.004 0.000 0.335 139 F C -0.162 175.678 175.800 0.065 0.000 1.148 139 F CA -0.883 57.245 58.000 0.214 0.000 0.963 139 F CB 1.468 40.678 39.000 0.350 0.000 1.217 139 F HN 0.200 nan 8.300 nan 0.000 0.441 140 K N 4.628 125.361 120.400 0.556 0.000 2.203 140 K HA 0.371 4.688 4.320 -0.005 0.000 0.251 140 K C -1.915 175.108 176.600 0.704 0.000 0.944 140 K CA -0.992 55.577 56.287 0.470 0.000 0.829 140 K CB 2.502 35.126 32.500 0.206 0.000 1.125 140 K HN 0.547 nan 8.250 nan 0.000 0.430 141 Y N 1.535 122.156 120.300 0.536 0.000 2.425 141 Y HA 0.413 4.961 4.550 -0.004 0.000 0.344 141 Y C -1.452 174.567 175.900 0.198 0.000 0.969 141 Y CA -1.065 57.264 58.100 0.382 0.000 1.052 141 Y CB 1.514 40.167 38.460 0.323 0.000 1.215 141 Y HN 0.541 nan 8.280 nan 0.000 0.451 142 N N 7.907 126.275 118.700 -0.554 0.000 2.491 142 N HA 0.452 5.189 4.740 -0.005 0.000 0.274 142 N C -2.896 172.145 175.510 -0.781 0.000 1.023 142 N CA -1.871 50.892 53.050 -0.479 0.000 0.902 142 N CB 2.269 40.624 38.487 -0.219 0.000 1.267 142 N HN 0.326 nan 8.380 nan 0.000 0.503 143 P HA 0.247 nan 4.420 nan 0.000 0.293 143 P C -1.755 175.433 177.300 -0.186 0.000 1.298 143 P CA -1.075 61.787 63.100 -0.397 0.000 0.757 143 P CB 0.413 31.993 31.700 -0.200 0.000 1.262 144 P HA -0.148 nan 4.420 nan 0.000 0.226 144 P C 1.093 178.360 177.300 -0.055 0.000 1.146 144 P CA 1.611 64.692 63.100 -0.030 0.000 0.773 144 P CB -0.720 30.993 31.700 0.021 0.000 0.772 145 T N -5.559 108.948 114.554 -0.079 0.000 3.055 145 T HA 0.121 4.468 4.350 -0.005 0.000 0.265 145 T C 1.658 176.296 174.700 -0.103 0.000 1.111 145 T CA 0.743 62.794 62.100 -0.082 0.000 1.118 145 T CB -1.035 67.784 68.868 -0.081 0.000 0.909 145 T HN 0.211 nan 8.240 nan 0.000 0.501 146 G N 0.281 109.006 108.800 -0.125 0.000 2.143 146 G HA2 0.098 4.056 3.960 -0.005 0.000 0.248 146 G HA3 0.098 4.056 3.960 -0.005 0.000 0.248 146 G C 0.296 175.122 174.900 -0.123 0.000 0.991 146 G CA -0.095 44.920 45.100 -0.141 0.000 0.689 146 G HN 1.176 nan 8.290 nan 0.000 0.522 147 G N -1.324 107.413 108.800 -0.106 0.000 2.866 147 G HA2 0.780 4.738 3.960 -0.005 0.000 0.289 147 G HA3 0.780 4.738 3.960 -0.005 0.000 0.289 147 G C -3.114 171.754 174.900 -0.052 0.000 1.396 147 G CA -1.089 43.982 45.100 -0.048 0.000 0.848 147 G HN 0.104 nan 8.290 nan 0.000 0.515 148 P HA 0.254 nan 4.420 nan 0.000 0.261 148 P C 0.184 177.470 177.300 -0.024 0.000 1.173 148 P CA 0.337 63.449 63.100 0.020 0.000 0.760 148 P CB 0.554 32.289 31.700 0.059 0.000 0.783 149 A N 3.626 126.448 122.820 0.003 0.000 2.445 149 A HA 0.228 4.545 4.320 -0.005 0.000 0.242 149 A C 0.697 178.253 177.584 -0.048 0.000 1.075 149 A CA -0.234 51.784 52.037 -0.033 0.000 0.777 149 A CB -0.351 18.686 19.000 0.063 0.000 1.013 149 A HN 0.702 nan 8.150 nan 0.000 0.493 150 N N 0.971 119.616 118.700 -0.092 0.000 2.347 150 N HA 0.399 5.136 4.740 -0.005 0.000 0.253 150 N C 0.907 176.376 175.510 -0.069 0.000 1.274 150 N CA 0.161 53.157 53.050 -0.089 0.000 0.941 150 N CB 0.489 38.930 38.487 -0.076 0.000 1.200 150 N HN 0.569 nan 8.380 nan 0.000 0.514 151 A N -0.016 122.779 122.820 -0.042 0.000 2.019 151 A HA -0.136 4.181 4.320 -0.005 0.000 0.219 151 A C 2.106 179.673 177.584 -0.028 0.000 1.164 151 A CA 1.162 53.191 52.037 -0.012 0.000 0.644 151 A CB -0.629 18.381 19.000 0.018 0.000 0.805 151 A HN 0.689 nan 8.150 nan 0.000 0.449 152 R N -0.217 120.257 120.500 -0.044 0.000 2.066 152 R HA 0.051 4.388 4.340 -0.005 0.000 0.232 152 R C 1.914 178.157 176.300 -0.096 0.000 1.131 152 R CA 1.586 57.660 56.100 -0.044 0.000 0.955 152 R CB -0.518 29.764 30.300 -0.030 0.000 0.851 152 R HN 0.592 nan 8.270 nan 0.000 0.432 153 I N 0.206 120.647 120.570 -0.215 0.000 2.252 153 I HA -0.269 3.898 4.170 -0.005 0.000 0.245 153 I C 2.293 178.216 176.117 -0.325 0.000 1.102 153 I CA 1.774 62.794 61.300 -0.466 0.000 1.385 153 I CB -0.629 36.940 38.000 -0.719 0.000 1.064 153 I HN 0.387 nan 8.210 nan 0.000 0.414 154 T N -0.768 113.659 114.554 -0.212 0.000 2.746 154 T HA -0.238 4.110 4.350 -0.005 0.000 0.267 154 T C 2.004 176.626 174.700 -0.130 0.000 1.039 154 T CA 1.227 63.200 62.100 -0.211 0.000 1.142 154 T CB -0.400 68.517 68.868 0.082 0.000 0.866 154 T HN 0.114 nan 8.240 nan 0.000 0.444 155 R N 2.537 123.010 120.500 -0.045 0.000 2.091 155 R HA 0.133 4.470 4.340 -0.005 0.000 0.238 155 R C 2.496 178.783 176.300 -0.021 0.000 1.136 155 R CA 1.872 57.968 56.100 -0.008 0.000 0.959 155 R CB -1.299 29.005 30.300 0.007 0.000 0.856 155 R HN 0.519 nan 8.270 nan 0.000 0.437 156 A N 0.128 122.937 122.820 -0.019 0.000 1.929 156 A HA -0.003 4.314 4.320 -0.005 0.000 0.216 156 A C 2.333 179.905 177.584 -0.021 0.000 1.176 156 A CA 1.413 53.465 52.037 0.024 0.000 0.628 156 A CB -0.454 18.635 19.000 0.148 0.000 0.816 156 A HN 0.364 nan 8.150 nan 0.000 0.444 157 I N -0.658 119.849 120.570 -0.105 0.000 2.163 157 I HA -0.259 3.908 4.170 -0.005 0.000 0.240 157 I C 2.557 178.566 176.117 -0.180 0.000 1.081 157 I CA 1.789 62.948 61.300 -0.236 0.000 1.353 157 I CB -0.370 37.258 38.000 -0.621 0.000 1.054 157 I HN 0.531 nan 8.210 nan 0.000 0.407 158 E N 1.016 121.141 120.200 -0.125 0.000 2.049 158 E HA -0.285 4.063 4.350 -0.005 0.000 0.198 158 E C 2.071 178.661 176.600 -0.016 0.000 1.007 158 E CA 1.656 58.058 56.400 0.005 0.000 0.809 158 E CB 0.088 29.842 29.700 0.089 0.000 0.749 158 E HN 0.353 nan 8.360 nan 0.000 0.450 159 E N 0.316 120.503 120.200 -0.021 0.000 2.038 159 E HA -0.233 4.114 4.350 -0.005 0.000 0.195 159 E C 2.177 178.752 176.600 -0.042 0.000 1.000 159 E CA 1.246 57.633 56.400 -0.022 0.000 0.803 159 E CB -0.448 29.243 29.700 -0.016 0.000 0.750 159 E HN 0.133 nan 8.360 nan 0.000 0.448 160 R N 1.224 121.688 120.500 -0.060 0.000 2.081 160 R HA -0.050 4.287 4.340 -0.005 0.000 0.235 160 R C 2.132 178.380 176.300 -0.087 0.000 1.131 160 R CA 1.757 57.811 56.100 -0.077 0.000 0.960 160 R CB -0.829 29.412 30.300 -0.099 0.000 0.856 160 R HN 0.157 nan 8.270 nan 0.000 0.436 161 A N 0.229 122.990 122.820 -0.098 0.000 1.883 161 A HA -0.194 4.123 4.320 -0.005 0.000 0.217 161 A C 1.941 179.465 177.584 -0.100 0.000 1.186 161 A CA 1.974 53.944 52.037 -0.112 0.000 0.624 161 A CB -0.780 18.151 19.000 -0.115 0.000 0.822 161 A HN 0.631 nan 8.150 nan 0.000 0.444 162 N N -0.304 118.353 118.700 -0.072 0.000 2.270 162 N HA 0.029 4.766 4.740 -0.005 0.000 0.181 162 N C 1.894 177.367 175.510 -0.062 0.000 1.016 162 N CA 0.805 53.817 53.050 -0.064 0.000 0.870 162 N CB -0.195 38.273 38.487 -0.032 0.000 0.979 162 N HN 0.511 nan 8.380 nan 0.000 0.431 163 A N 1.197 123.982 122.820 -0.057 0.000 1.858 163 A HA -0.094 4.223 4.320 -0.005 0.000 0.216 163 A C 2.113 179.661 177.584 -0.060 0.000 1.190 163 A CA 1.006 53.012 52.037 -0.052 0.000 0.617 163 A CB -0.790 18.181 19.000 -0.048 0.000 0.827 163 A HN 0.155 nan 8.150 nan 0.000 0.443 164 L N -1.166 120.014 121.223 -0.072 0.000 2.012 164 L HA -0.207 4.130 4.340 -0.005 0.000 0.210 164 L C 2.556 179.375 176.870 -0.085 0.000 1.073 164 L CA 1.159 55.953 54.840 -0.076 0.000 0.748 164 L CB -0.545 41.462 42.059 -0.086 0.000 0.891 164 L HN 0.382 nan 8.230 nan 0.000 0.431 165 L N -0.333 120.826 121.223 -0.106 0.000 2.012 165 L HA -0.262 4.075 4.340 -0.005 0.000 0.210 165 L C 2.595 179.408 176.870 -0.095 0.000 1.073 165 L CA 1.749 56.513 54.840 -0.126 0.000 0.748 165 L CB -0.670 41.291 42.059 -0.163 0.000 0.891 165 L HN 0.243 nan 8.230 nan 0.000 0.431 166 Q N 0.285 120.040 119.800 -0.075 0.000 2.170 166 Q HA -0.207 4.130 4.340 -0.005 0.000 0.203 166 Q C 1.612 177.582 176.000 -0.049 0.000 0.976 166 Q CA 1.832 57.602 55.803 -0.056 0.000 0.858 166 Q CB -0.143 28.569 28.738 -0.044 0.000 0.907 166 Q HN 0.767 nan 8.270 nan 0.000 0.433 167 E N -2.122 118.048 120.200 -0.051 0.000 2.403 167 E HA 0.248 4.595 4.350 -0.005 0.000 0.188 167 E C 0.634 177.206 176.600 -0.046 0.000 1.056 167 E CA 0.350 56.724 56.400 -0.043 0.000 0.892 167 E CB -0.043 29.633 29.700 -0.039 0.000 1.049 167 E HN 0.303 nan 8.360 nan 0.000 0.465 168 G N 1.202 109.968 108.800 -0.056 0.000 2.148 168 G HA2 -0.321 3.636 3.960 -0.005 0.000 0.254 168 G HA3 -0.321 3.636 3.960 -0.005 0.000 0.254 168 G C 0.672 175.535 174.900 -0.061 0.000 0.981 168 G CA 0.043 45.108 45.100 -0.057 0.000 0.670 168 G HN 0.327 nan 8.290 nan 0.000 0.528 169 L N -2.287 118.896 121.223 -0.067 0.000 4.937 169 L HA -0.205 4.132 4.340 -0.005 0.000 0.422 169 L C 2.022 178.862 176.870 -0.049 0.000 1.059 169 L CA 2.354 57.154 54.840 -0.067 0.000 1.111 169 L CB -1.742 40.271 42.059 -0.077 0.000 2.033 169 L HN 0.582 nan 8.230 nan 0.000 0.708 170 K N -0.565 119.810 120.400 -0.042 0.000 2.442 170 K HA -0.028 4.290 4.320 -0.005 0.000 0.199 170 K C 1.716 178.298 176.600 -0.030 0.000 1.044 170 K CA 1.119 57.386 56.287 -0.033 0.000 0.941 170 K CB -0.238 32.244 32.500 -0.030 0.000 0.759 170 K HN 0.620 nan 8.250 nan 0.000 0.472 171 G N 0.527 109.308 108.800 -0.032 0.000 3.189 171 G HA2 0.094 4.051 3.960 -0.005 0.000 0.225 171 G HA3 0.094 4.051 3.960 -0.005 0.000 0.225 171 G C 0.153 175.045 174.900 -0.012 0.000 1.159 171 G CA -0.280 44.806 45.100 -0.024 0.000 0.763 171 G HN -0.038 nan 8.290 nan 0.000 0.549 172 V N 1.311 121.213 119.914 -0.020 0.000 2.498 172 V HA 0.275 4.392 4.120 -0.005 0.000 0.279 172 V C -0.022 176.071 176.094 -0.002 0.000 1.048 172 V CA -0.506 61.790 62.300 -0.006 0.000 0.967 172 V CB 1.451 33.254 31.823 -0.034 0.000 0.988 172 V HN 0.115 nan 8.190 nan 0.000 0.473 173 K N 5.470 125.888 120.400 0.029 0.000 2.185 173 K HA 0.602 4.919 4.320 -0.005 0.000 0.269 173 K C -0.312 176.273 176.600 -0.025 0.000 0.987 173 K CA -0.622 55.641 56.287 -0.041 0.000 0.865 173 K CB 2.083 34.469 32.500 -0.189 0.000 1.090 173 K HN 0.634 nan 8.250 nan 0.000 0.450 174 R N 3.085 123.564 120.500 -0.036 0.000 2.836 174 R HA 0.495 4.833 4.340 -0.005 0.000 0.269 174 R C -1.755 174.532 176.300 -0.023 0.000 1.010 174 R CA -0.759 55.328 56.100 -0.022 0.000 0.930 174 R CB 1.233 31.527 30.300 -0.010 0.000 1.218 174 R HN 0.403 nan 8.270 nan 0.000 0.473 175 L N 2.214 123.431 121.223 -0.010 0.000 2.354 175 L HA 0.637 4.974 4.340 -0.005 0.000 0.264 175 L C -2.426 174.450 176.870 0.010 0.000 1.008 175 L CA -2.283 52.554 54.840 -0.005 0.000 0.819 175 L CB 2.343 44.399 42.059 -0.004 0.000 1.339 175 L HN 0.595 nan 8.230 nan 0.000 0.420 176 P HA 0.048 nan 4.420 nan 0.000 0.276 176 P C 0.839 178.161 177.300 0.035 0.000 1.230 176 P CA -0.355 62.761 63.100 0.026 0.000 0.776 176 P CB 0.919 32.632 31.700 0.020 0.000 0.888 177 L N 4.567 125.822 121.223 0.053 0.000 2.054 177 L HA -0.247 4.091 4.340 -0.005 0.000 0.220 177 L C 2.702 179.612 176.870 0.066 0.000 1.081 177 L CA 2.088 56.970 54.840 0.070 0.000 0.780 177 L CB -0.955 41.168 42.059 0.105 0.000 0.893 177 L HN 0.410 nan 8.230 nan 0.000 0.438 178 R N -0.690 119.844 120.500 0.057 0.000 2.096 178 R HA -0.224 4.113 4.340 -0.005 0.000 0.240 178 R C 2.220 178.546 176.300 0.044 0.000 1.139 178 R CA 2.236 58.367 56.100 0.051 0.000 0.952 178 R CB -0.239 30.084 30.300 0.038 0.000 0.854 178 R HN 0.603 nan 8.270 nan 0.000 0.436 179 E N -0.527 119.692 120.200 0.033 0.000 2.028 179 E HA -0.141 4.206 4.350 -0.005 0.000 0.190 179 E C 2.028 178.643 176.600 0.025 0.000 0.984 179 E CA 0.939 57.354 56.400 0.025 0.000 0.800 179 E CB -0.149 29.560 29.700 0.015 0.000 0.758 179 E HN 0.450 nan 8.360 nan 0.000 0.448 180 A N 1.463 124.296 122.820 0.023 0.000 1.892 180 A HA -0.224 4.093 4.320 -0.005 0.000 0.218 180 A C 2.181 179.778 177.584 0.020 0.000 1.188 180 A CA 1.327 53.372 52.037 0.013 0.000 0.631 180 A CB -0.695 18.303 19.000 -0.003 0.000 0.822 180 A HN 0.209 nan 8.150 nan 0.000 0.447 181 L N -0.409 120.842 121.223 0.047 0.000 2.079 181 L HA -0.098 4.239 4.340 -0.005 0.000 0.210 181 L C 2.699 179.612 176.870 0.071 0.000 1.081 181 L CA 2.076 56.967 54.840 0.084 0.000 0.752 181 L CB -0.779 41.355 42.059 0.125 0.000 0.896 181 L HN 0.378 nan 8.230 nan 0.000 0.433 182 A N -1.343 121.509 122.820 0.052 0.000 2.121 182 A HA -0.104 4.214 4.320 -0.005 0.000 0.218 182 A C 2.269 179.874 177.584 0.035 0.000 1.154 182 A CA 0.899 52.962 52.037 0.043 0.000 0.679 182 A CB -0.364 18.656 19.000 0.033 0.000 0.795 182 A HN 0.358 nan 8.150 nan 0.000 0.458 183 R N -0.017 120.501 120.500 0.030 0.000 2.090 183 R HA 0.211 4.548 4.340 -0.005 0.000 0.219 183 R C 1.317 177.630 176.300 0.020 0.000 1.100 183 R CA 0.768 56.880 56.100 0.020 0.000 0.991 183 R CB -1.286 29.023 30.300 0.014 0.000 0.893 183 R HN 0.433 nan 8.270 nan 0.000 0.443 184 A N 2.855 125.690 122.820 0.026 0.000 2.613 184 A HA -0.018 4.299 4.320 -0.005 0.000 0.230 184 A C -0.143 177.469 177.584 0.046 0.000 1.051 184 A CA 0.558 52.613 52.037 0.030 0.000 0.754 184 A CB 0.185 19.221 19.000 0.061 0.000 0.979 184 A HN -0.003 nan 8.150 nan 0.000 0.510 185 K N 2.426 122.850 120.400 0.040 0.000 2.394 185 K HA 0.419 4.736 4.320 -0.005 0.000 0.260 185 K C -2.961 173.698 176.600 0.098 0.000 0.967 185 K CA -2.106 54.213 56.287 0.053 0.000 0.855 185 K CB 1.272 33.786 32.500 0.023 0.000 1.101 185 K HN 0.323 nan 8.250 nan 0.000 0.433 186 P HA 0.076 nan 4.420 nan 0.000 0.265 186 P C -0.856 176.535 177.300 0.151 0.000 1.193 186 P CA 0.042 63.221 63.100 0.133 0.000 0.765 186 P CB 0.261 32.013 31.700 0.087 0.000 0.823 187 F N 2.342 122.281 119.950 -0.018 0.000 2.556 187 F HA 0.323 4.847 4.527 -0.004 0.000 0.314 187 F C -0.281 175.443 175.800 -0.126 0.000 1.106 187 F CA -0.992 56.931 58.000 -0.127 0.000 0.911 187 F CB 1.632 40.449 39.000 -0.305 0.000 1.190 187 F HN 0.111 nan 8.300 nan 0.000 0.448 188 D N 4.777 124.603 120.400 -0.955 0.000 2.563 188 D HA 0.110 4.747 4.640 -0.005 0.000 0.222 188 D C 0.671 176.672 176.300 -0.499 0.000 1.145 188 D CA 0.241 53.923 54.000 -0.529 0.000 1.001 188 D CB -0.177 40.400 40.800 -0.371 0.000 1.049 188 D HN 0.484 nan 8.370 nan 0.000 0.515 189 Y N 1.791 122.066 120.300 -0.041 0.000 2.030 189 Y HA -0.273 4.274 4.550 -0.005 0.000 0.274 189 Y C 2.520 178.479 175.900 0.099 0.000 1.153 189 Y CA 1.820 60.047 58.100 0.212 0.000 1.115 189 Y CB -0.647 37.957 38.460 0.239 0.000 0.969 189 Y HN 0.452 nan 8.280 nan 0.000 0.488 190 A N 0.136 123.091 122.820 0.224 0.000 1.940 190 A HA -0.144 4.173 4.320 -0.005 0.000 0.219 190 A C 2.575 180.239 177.584 0.133 0.000 1.176 190 A CA 1.805 53.928 52.037 0.144 0.000 0.631 190 A CB -1.612 17.429 19.000 0.068 0.000 0.814 190 A HN 0.533 nan 8.150 nan 0.000 0.446 191 G N -0.141 108.686 108.800 0.044 0.000 2.446 191 G HA2 -0.210 3.747 3.960 -0.005 0.000 0.217 191 G HA3 -0.210 3.747 3.960 -0.005 0.000 0.217 191 G C 1.476 176.396 174.900 0.034 0.000 1.168 191 G CA 1.315 46.417 45.100 0.004 0.000 0.771 191 G HN 0.528 nan 8.290 nan 0.000 0.551 192 L N -1.021 120.221 121.223 0.030 0.000 2.093 192 L HA 0.130 4.467 4.340 -0.005 0.000 0.208 192 L C 2.434 179.385 176.870 0.135 0.000 1.085 192 L CA 1.364 56.251 54.840 0.078 0.000 0.755 192 L CB -0.655 41.483 42.059 0.131 0.000 0.904 192 L HN 0.322 nan 8.230 nan 0.000 0.435 193 Y N -0.169 120.178 120.300 0.079 0.000 2.089 193 Y HA -0.246 4.302 4.550 -0.005 0.000 0.282 193 Y C 2.586 178.553 175.900 0.111 0.000 1.139 193 Y CA 2.840 60.999 58.100 0.099 0.000 1.123 193 Y CB -0.517 37.973 38.460 0.049 0.000 0.980 193 Y HN 0.148 nan 8.280 nan 0.000 0.493 194 V N -0.974 119.103 119.914 0.271 0.000 2.380 194 V HA -0.309 3.809 4.120 -0.005 0.000 0.251 194 V C 1.980 178.217 176.094 0.239 0.000 1.063 194 V CA 2.448 64.898 62.300 0.251 0.000 1.055 194 V CB -0.892 31.080 31.823 0.249 0.000 0.657 194 V HN 0.588 nan 8.190 nan 0.000 0.455 195 E N 0.249 120.538 120.200 0.147 0.000 2.028 195 E HA -0.185 4.162 4.350 -0.005 0.000 0.190 195 E C 2.218 178.868 176.600 0.082 0.000 0.984 195 E CA 1.282 57.754 56.400 0.120 0.000 0.800 195 E CB -0.010 29.732 29.700 0.069 0.000 0.758 195 E HN 0.565 nan 8.360 nan 0.000 0.448 196 K N 0.565 120.991 120.400 0.044 0.000 2.167 196 K HA -0.035 4.282 4.320 -0.005 0.000 0.203 196 K C 2.134 178.714 176.600 -0.034 0.000 1.052 196 K CA 0.490 56.808 56.287 0.051 0.000 0.956 196 K CB -0.812 31.750 32.500 0.104 0.000 0.735 196 K HN 0.121 nan 8.250 nan 0.000 0.451 197 V N 2.166 121.955 119.914 -0.209 0.000 2.660 197 V HA -0.224 3.893 4.120 -0.005 0.000 0.257 197 V C 2.078 177.944 176.094 -0.380 0.000 1.088 197 V CA 1.832 63.780 62.300 -0.587 0.000 1.106 197 V CB -0.630 30.807 31.823 -0.644 0.000 0.686 197 V HN 0.316 nan 8.190 nan 0.000 0.481 198 A N -0.784 121.933 122.820 -0.172 0.000 2.125 198 A HA -0.147 4.170 4.320 -0.005 0.000 0.219 198 A C 1.891 179.505 177.584 0.051 0.000 1.156 198 A CA 1.506 53.505 52.037 -0.063 0.000 0.671 198 A CB -0.341 18.685 19.000 0.044 0.000 0.794 198 A HN 0.722 nan 8.150 nan 0.000 0.459 199 E N -1.130 119.081 120.200 0.017 0.000 2.444 199 E HA 0.338 4.685 4.350 -0.005 0.000 0.191 199 E C 1.067 177.688 176.600 0.035 0.000 1.041 199 E CA 0.359 56.851 56.400 0.153 0.000 0.883 199 E CB 0.253 30.030 29.700 0.128 0.000 1.024 199 E HN 0.602 nan 8.360 nan 0.000 0.470 200 A N 0.190 122.853 122.820 -0.262 0.000 2.048 200 A HA 0.223 4.541 4.320 -0.005 0.000 0.197 200 A C 0.539 177.818 177.584 -0.508 0.000 1.486 200 A CA 0.082 51.781 52.037 -0.563 0.000 1.029 200 A CB 1.057 19.537 19.000 -0.866 0.000 1.101 200 A HN 0.045 nan 8.150 nan 0.000 0.470 201 V N 1.379 121.189 119.914 -0.173 0.000 2.656 201 V HA 0.319 4.436 4.120 -0.005 0.000 0.307 201 V C -1.144 175.090 176.094 0.233 0.000 1.051 201 V CA -0.799 61.536 62.300 0.058 0.000 0.893 201 V CB 1.833 33.668 31.823 0.019 0.000 0.999 201 V HN 0.354 nan 8.190 nan 0.000 0.426 202 D N 3.722 124.319 120.400 0.329 0.000 2.489 202 D HA 0.119 4.756 4.640 -0.005 0.000 0.237 202 D C 1.163 177.523 176.300 0.099 0.000 1.212 202 D CA 0.288 54.408 54.000 0.200 0.000 1.058 202 D CB 0.389 41.282 40.800 0.155 0.000 1.098 202 D HN 0.512 nan 8.370 nan 0.000 0.509 203 L N 1.956 123.208 121.223 0.048 0.000 2.079 203 L HA -0.194 4.143 4.340 -0.005 0.000 0.210 203 L C 2.256 179.154 176.870 0.047 0.000 1.081 203 L CA 1.002 55.843 54.840 0.003 0.000 0.752 203 L CB -0.255 41.726 42.059 -0.129 0.000 0.896 203 L HN 0.318 nan 8.230 nan 0.000 0.433 204 E N 0.825 121.057 120.200 0.054 0.000 2.049 204 E HA -0.255 4.092 4.350 -0.005 0.000 0.198 204 E C 2.132 178.758 176.600 0.044 0.000 1.007 204 E CA 1.765 58.196 56.400 0.051 0.000 0.809 204 E CB -0.209 29.509 29.700 0.031 0.000 0.749 204 E HN 0.365 nan 8.360 nan 0.000 0.450 205 A N 0.098 122.943 122.820 0.042 0.000 2.076 205 A HA -0.128 4.189 4.320 -0.005 0.000 0.220 205 A C 2.268 179.881 177.584 0.047 0.000 1.160 205 A CA 1.503 53.565 52.037 0.042 0.000 0.653 205 A CB -0.635 18.395 19.000 0.051 0.000 0.801 205 A HN 0.404 nan 8.150 nan 0.000 0.455 206 I N -0.711 119.892 120.570 0.055 0.000 2.494 206 I HA -0.166 4.001 4.170 -0.005 0.000 0.250 206 I C 2.603 178.752 176.117 0.053 0.000 1.112 206 I CA 1.241 62.575 61.300 0.055 0.000 1.438 206 I CB -0.285 37.753 38.000 0.064 0.000 1.111 206 I HN 0.458 nan 8.210 nan 0.000 0.431 207 R N 2.069 122.605 120.500 0.060 0.000 2.189 207 R HA 0.037 4.374 4.340 -0.005 0.000 0.223 207 R C 1.629 177.958 176.300 0.048 0.000 1.092 207 R CA 1.343 57.480 56.100 0.062 0.000 0.989 207 R CB -0.331 30.015 30.300 0.077 0.000 0.876 207 R HN 0.226 nan 8.270 nan 0.000 0.457 208 A N 1.104 123.949 122.820 0.042 0.000 2.507 208 A HA 0.160 4.477 4.320 -0.005 0.000 0.270 208 A C 1.507 179.109 177.584 0.029 0.000 1.318 208 A CA 0.039 52.095 52.037 0.033 0.000 0.924 208 A CB 0.071 19.087 19.000 0.028 0.000 1.061 208 A HN 0.486 nan 8.150 nan 0.000 0.516 209 S N -1.734 113.985 115.700 0.032 0.000 2.528 209 S HA 0.320 4.787 4.470 -0.005 0.000 0.219 209 S C 1.604 176.220 174.600 0.027 0.000 0.985 209 S CA 1.046 59.264 58.200 0.028 0.000 0.914 209 S CB -0.305 62.913 63.200 0.030 0.000 0.776 209 S HN 1.761 nan 8.310 nan 0.000 0.526 210 G N 1.067 109.884 108.800 0.029 0.000 2.196 210 G HA2 -0.268 3.689 3.960 -0.005 0.000 0.268 210 G HA3 -0.268 3.689 3.960 -0.005 0.000 0.268 210 G C 0.045 174.964 174.900 0.032 0.000 0.975 210 G CA 0.678 45.795 45.100 0.028 0.000 0.648 210 G HN 0.565 nan 8.290 nan 0.000 0.538 211 L N -0.348 120.896 121.223 0.035 0.000 2.453 211 L HA 0.500 4.837 4.340 -0.005 0.000 0.261 211 L C 1.173 178.075 176.870 0.054 0.000 1.179 211 L CA -0.485 54.380 54.840 0.041 0.000 0.813 211 L CB 0.658 42.738 42.059 0.035 0.000 1.110 211 L HN 0.073 nan 8.230 nan 0.000 0.466 212 R N 2.787 123.334 120.500 0.078 0.000 2.310 212 R HA 0.495 4.832 4.340 -0.005 0.000 0.316 212 R C -1.086 175.301 176.300 0.145 0.000 1.004 212 R CA -0.425 55.752 56.100 0.128 0.000 0.900 212 R CB 0.949 31.349 30.300 0.166 0.000 1.152 212 R HN 0.473 nan 8.270 nan 0.000 0.513 213 I N 1.535 122.118 120.570 0.020 0.000 2.359 213 I HA 0.342 4.509 4.170 -0.005 0.000 0.294 213 I C 0.858 176.700 176.117 -0.459 0.000 0.987 213 I CA -0.453 60.760 61.300 -0.145 0.000 1.225 213 I CB 1.942 39.869 38.000 -0.123 0.000 1.366 213 I HN 0.523 nan 8.210 nan 0.000 0.466 214 G N 5.070 113.324 108.800 -0.911 0.000 2.388 214 G HA2 0.640 4.598 3.960 -0.005 0.000 0.330 214 G HA3 0.640 4.598 3.960 -0.005 0.000 0.330 214 G C -1.093 173.304 174.900 -0.839 0.000 1.142 214 G CA -0.375 43.846 45.100 -1.466 0.000 0.908 214 G HN 0.361 nan 8.290 nan 0.000 0.473 215 V N 2.314 121.793 119.914 -0.725 0.000 2.488 215 V HA 0.268 4.386 4.120 -0.005 0.000 0.293 215 V C -1.227 174.544 176.094 -0.538 0.000 1.027 215 V CA -0.835 61.014 62.300 -0.751 0.000 0.862 215 V CB 1.733 32.844 31.823 -1.187 0.000 1.008 215 V HN 0.770 nan 8.190 nan 0.000 0.428 216 D N 6.766 126.929 120.400 -0.396 0.000 2.412 216 D HA 0.407 5.044 4.640 -0.005 0.000 0.224 216 D C -1.904 174.299 176.300 -0.162 0.000 1.093 216 D CA -2.131 51.733 54.000 -0.225 0.000 0.850 216 D CB 2.472 43.183 40.800 -0.148 0.000 1.046 216 D HN 0.186 nan 8.370 nan 0.000 0.507 217 P HA -0.023 nan 4.420 nan 0.000 0.236 217 P C 0.296 177.588 177.300 -0.013 0.000 1.172 217 P CA -0.085 63.025 63.100 0.016 0.000 0.759 217 P CB 0.104 31.849 31.700 0.074 0.000 0.843 218 L N -1.751 119.444 121.223 -0.047 0.000 3.833 218 L HA -0.247 4.090 4.340 -0.005 0.000 0.447 218 L C 1.425 178.252 176.870 -0.072 0.000 1.213 218 L CA 1.592 56.399 54.840 -0.056 0.000 0.801 218 L CB -2.663 39.364 42.059 -0.053 0.000 1.676 218 L HN 0.447 nan 8.230 nan 0.000 0.883 219 G N -1.652 107.106 108.800 -0.070 0.000 2.196 219 G HA2 -0.280 3.678 3.960 -0.005 0.000 0.268 219 G HA3 -0.280 3.678 3.960 -0.005 0.000 0.268 219 G C 0.970 175.781 174.900 -0.148 0.000 0.975 219 G CA 0.863 45.901 45.100 -0.103 0.000 0.648 219 G HN 1.107 nan 8.290 nan 0.000 0.538 220 G N -0.932 107.804 108.800 -0.108 0.000 2.486 220 G HA2 0.604 4.562 3.960 -0.005 0.000 0.272 220 G HA3 0.604 4.562 3.960 -0.005 0.000 0.272 220 G C 1.242 176.065 174.900 -0.128 0.000 1.426 220 G CA 0.653 45.678 45.100 -0.125 0.000 1.058 220 G HN 1.296 nan 8.290 nan 0.000 0.531 221 A N -0.988 121.773 122.820 -0.097 0.000 2.275 221 A HA 0.281 4.598 4.320 -0.005 0.000 0.212 221 A C 2.182 179.766 177.584 -0.000 0.000 1.201 221 A CA 1.220 53.238 52.037 -0.032 0.000 0.843 221 A CB -0.242 18.753 19.000 -0.010 0.000 0.873 221 A HN 0.989 nan 8.150 nan 0.000 0.492 222 S N -0.548 115.158 115.700 0.010 0.000 2.603 222 S HA 0.018 4.485 4.470 -0.005 0.000 0.220 222 S C 1.538 176.218 174.600 0.133 0.000 0.967 222 S CA 0.596 58.794 58.200 -0.002 0.000 0.920 222 S CB -0.446 62.797 63.200 0.072 0.000 0.773 222 S HN 0.350 nan 8.310 nan 0.000 0.529 223 L N 2.697 124.002 121.223 0.136 0.000 1.944 223 L HA -0.090 4.248 4.340 -0.005 0.000 0.218 223 L C 2.612 179.564 176.870 0.136 0.000 1.075 223 L CA 1.897 56.830 54.840 0.154 0.000 0.767 223 L CB -0.778 41.340 42.059 0.099 0.000 0.890 223 L HN 0.155 nan 8.230 nan 0.000 0.434 224 R N -0.544 120.006 120.500 0.083 0.000 2.103 224 R HA -0.147 4.191 4.340 -0.005 0.000 0.242 224 R C 2.332 178.659 176.300 0.044 0.000 1.142 224 R CA 1.612 57.749 56.100 0.062 0.000 0.960 224 R CB -1.633 28.693 30.300 0.044 0.000 0.858 224 R HN 0.474 nan 8.270 nan 0.000 0.439 225 V N -0.479 119.416 119.914 -0.031 0.000 2.427 225 V HA -0.190 3.927 4.120 -0.005 0.000 0.248 225 V C 1.785 177.835 176.094 -0.072 0.000 1.051 225 V CA 1.443 63.673 62.300 -0.116 0.000 1.048 225 V CB -0.300 31.315 31.823 -0.347 0.000 0.666 225 V HN 0.343 nan 8.190 nan 0.000 0.456 226 W N 0.401 121.694 121.300 -0.011 0.000 2.379 226 W HA -0.130 4.527 4.660 -0.004 0.000 0.307 226 W C 2.588 179.118 176.519 0.019 0.000 1.200 226 W CA 1.498 58.842 57.345 -0.002 0.000 1.297 226 W CB -0.151 29.293 29.460 -0.028 0.000 1.140 226 W HN 0.233 nan 8.180 nan 0.000 0.507 227 E N 0.084 120.444 120.200 0.266 0.000 2.085 227 E HA -0.230 4.117 4.350 -0.005 0.000 0.194 227 E C 2.029 178.714 176.600 0.141 0.000 0.994 227 E CA 1.262 57.761 56.400 0.165 0.000 0.801 227 E CB -0.339 29.429 29.700 0.114 0.000 0.743 227 E HN 0.353 nan 8.360 nan 0.000 0.453 228 R N 0.282 120.857 120.500 0.125 0.000 2.148 228 R HA -0.014 4.323 4.340 -0.005 0.000 0.223 228 R C 2.392 178.784 176.300 0.154 0.000 1.088 228 R CA 0.518 56.684 56.100 0.110 0.000 0.985 228 R CB -0.100 30.250 30.300 0.084 0.000 0.880 228 R HN 0.174 nan 8.270 nan 0.000 0.451 229 L N -0.037 121.300 121.223 0.189 0.000 2.072 229 L HA -0.093 4.244 4.340 -0.005 0.000 0.205 229 L C 2.604 179.630 176.870 0.261 0.000 1.079 229 L CA 1.073 56.062 54.840 0.248 0.000 0.752 229 L CB -0.459 41.729 42.059 0.216 0.000 0.906 229 L HN 0.220 nan 8.230 nan 0.000 0.436 230 A N 0.813 123.768 122.820 0.226 0.000 1.873 230 A HA -0.221 4.096 4.320 -0.005 0.000 0.215 230 A C 2.042 179.708 177.584 0.136 0.000 1.186 230 A CA 1.747 53.888 52.037 0.174 0.000 0.616 230 A CB -0.527 18.558 19.000 0.140 0.000 0.823 230 A HN 0.611 nan 8.150 nan 0.000 0.442 231 E N -1.040 119.229 120.200 0.114 0.000 2.502 231 E HA 0.093 4.440 4.350 -0.005 0.000 0.194 231 E C 1.258 177.890 176.600 0.054 0.000 1.062 231 E CA 0.862 57.307 56.400 0.076 0.000 0.867 231 E CB 0.008 29.745 29.700 0.060 0.000 0.888 231 E HN 0.374 nan 8.360 nan 0.000 0.510 232 S N -0.784 114.959 115.700 0.071 0.000 2.559 232 S HA 0.113 4.581 4.470 -0.005 0.000 0.226 232 S C 0.524 175.011 174.600 -0.189 0.000 1.030 232 S CA -0.228 57.951 58.200 -0.036 0.000 0.956 232 S CB 0.111 63.298 63.200 -0.021 0.000 0.900 232 S HN 0.416 nan 8.310 nan 0.000 0.510 233 H N -0.391 118.713 119.070 0.056 0.000 3.078 233 H HA 0.393 4.947 4.556 -0.005 0.000 0.263 233 H C 1.119 176.477 175.328 0.051 0.000 1.177 233 H CA 0.164 56.244 56.048 0.053 0.000 1.128 233 H CB 0.935 30.734 29.762 0.063 0.000 1.623 233 H HN 0.329 nan 8.280 nan 0.000 0.592 234 G N 1.645 110.522 108.800 0.128 0.000 2.323 234 G HA2 -0.301 3.656 3.960 -0.005 0.000 0.292 234 G HA3 -0.301 3.656 3.960 -0.005 0.000 0.292 234 G C -0.074 174.889 174.900 0.104 0.000 1.040 234 G CA 0.067 45.223 45.100 0.094 0.000 0.942 234 G HN 0.305 nan 8.290 nan 0.000 0.506 235 L N -0.314 120.986 121.223 0.128 0.000 2.367 235 L HA 0.240 4.578 4.340 -0.005 0.000 0.275 235 L C -1.305 175.612 176.870 0.077 0.000 1.129 235 L CA -1.805 53.101 54.840 0.109 0.000 0.839 235 L CB 0.980 43.119 42.059 0.133 0.000 1.133 235 L HN -0.084 nan 8.230 nan 0.000 0.453 236 P HA 0.040 nan 4.420 nan 0.000 0.262 236 P C -1.033 176.282 177.300 0.025 0.000 1.647 236 P CA 0.030 63.158 63.100 0.047 0.000 0.865 236 P CB -0.371 31.357 31.700 0.046 0.000 1.834 237 L N -2.942 118.288 121.223 0.011 0.000 2.341 237 L HA 0.606 4.943 4.340 -0.005 0.000 0.278 237 L C -0.228 176.598 176.870 -0.073 0.000 1.005 237 L CA -0.849 53.952 54.840 -0.067 0.000 0.818 237 L CB 1.712 43.720 42.059 -0.085 0.000 1.259 237 L HN -0.228 nan 8.230 nan 0.000 0.418 238 E N 2.540 122.654 120.200 -0.143 0.000 2.115 238 E HA 0.396 4.744 4.350 -0.005 0.000 0.282 238 E C -1.117 175.375 176.600 -0.180 0.000 0.987 238 E CA -0.790 55.558 56.400 -0.087 0.000 0.797 238 E CB 1.565 31.300 29.700 0.059 0.000 1.086 238 E HN 0.680 nan 8.360 nan 0.000 0.397 239 V N 5.978 125.834 119.914 -0.097 0.000 2.370 239 V HA 0.074 4.191 4.120 -0.005 0.000 0.257 239 V C -0.063 175.990 176.094 -0.068 0.000 1.064 239 V CA -0.231 62.003 62.300 -0.110 0.000 0.975 239 V CB 0.827 32.640 31.823 -0.017 0.000 1.067 239 V HN 0.418 nan 8.190 nan 0.000 0.485 240 V N 6.491 126.344 119.914 -0.101 0.000 2.326 240 V HA 0.508 4.625 4.120 -0.005 0.000 0.281 240 V C 0.204 176.271 176.094 -0.045 0.000 1.015 240 V CA -0.460 61.821 62.300 -0.032 0.000 0.823 240 V CB 1.555 33.403 31.823 0.041 0.000 1.009 240 V HN 0.878 nan 8.190 nan 0.000 0.436 270 A N 1.342 124.127 122.820 -0.058 0.000 3.308 270 A HA 0.607 4.924 4.320 -0.005 0.000 0.275 270 A C -0.022 177.530 177.584 -0.053 0.000 0.950 270 A CA 0.123 52.127 52.037 -0.055 0.000 0.987 270 A CB -0.376 18.586 19.000 -0.064 0.000 1.146 270 A HN 0.812 nan 8.150 nan 0.000 0.488 271 G N 0.566 109.337 108.800 -0.048 0.000 2.248 271 G HA2 0.414 4.371 3.960 -0.005 0.000 0.260 271 G HA3 0.414 4.371 3.960 -0.005 0.000 0.260 271 G C 0.611 175.487 174.900 -0.040 0.000 1.214 271 G CA 0.511 45.585 45.100 -0.044 0.000 0.979 271 G HN 1.494 nan 8.290 nan 0.000 0.454 272 L N 2.064 123.265 121.223 -0.036 0.000 4.089 272 L HA -0.147 4.190 4.340 -0.005 0.000 0.408 272 L C 1.303 178.157 176.870 -0.027 0.000 1.184 272 L CA 0.562 55.385 54.840 -0.029 0.000 0.947 272 L CB -1.162 40.881 42.059 -0.028 0.000 2.066 272 L HN 0.650 nan 8.230 nan 0.000 0.851 273 L N 0.596 121.799 121.223 -0.033 0.000 2.395 273 L HA 0.184 4.522 4.340 -0.005 0.000 0.218 273 L C 2.374 179.239 176.870 -0.008 0.000 1.130 273 L CA 2.099 56.921 54.840 -0.031 0.000 0.826 273 L CB -0.380 41.647 42.059 -0.054 0.000 0.941 273 L HN 0.359 nan 8.230 nan 0.000 0.451 274 A N -0.174 122.639 122.820 -0.012 0.000 2.234 274 A HA -0.207 4.110 4.320 -0.005 0.000 0.216 274 A C 2.237 179.825 177.584 0.006 0.000 1.167 274 A CA 1.469 53.506 52.037 -0.001 0.000 0.698 274 A CB -1.040 17.954 19.000 -0.011 0.000 0.779 274 A HN 0.631 nan 8.150 nan 0.000 0.475 275 L N -1.290 119.935 121.223 0.004 0.000 2.058 275 L HA -0.212 4.125 4.340 -0.005 0.000 0.226 275 L C 0.759 177.632 176.870 0.006 0.000 1.089 275 L CA 2.182 57.024 54.840 0.004 0.000 0.799 275 L CB -0.014 42.049 42.059 0.006 0.000 0.900 275 L HN 0.286 nan 8.230 nan 0.000 0.442 276 K N 0.386 120.804 120.400 0.030 0.000 2.621 276 K HA 0.172 4.489 4.320 -0.005 0.000 0.233 276 K C -0.787 175.835 176.600 0.038 0.000 0.972 276 K CA -0.352 55.939 56.287 0.006 0.000 0.988 276 K CB 0.890 33.375 32.500 -0.024 0.000 1.187 276 K HN 0.019 nan 8.250 nan 0.000 0.471 277 D N 2.042 122.448 120.400 0.010 0.000 2.395 277 D HA -0.005 4.633 4.640 -0.005 0.000 0.250 277 D C -0.086 176.206 176.300 -0.013 0.000 1.203 277 D CA 0.117 54.134 54.000 0.030 0.000 0.872 277 D CB 0.157 40.963 40.800 0.011 0.000 0.941 277 D HN 0.076 nan 8.370 nan 0.000 0.504 278 R N 0.513 120.931 120.500 -0.137 0.000 3.559 278 R HA 0.343 4.681 4.340 -0.005 0.000 0.273 278 R C -1.360 174.598 176.300 -0.569 0.000 1.423 278 R CA -0.553 55.379 56.100 -0.279 0.000 1.581 278 R CB -0.851 29.258 30.300 -0.317 0.000 1.338 278 R HN -0.133 nan 8.270 nan 0.000 0.667 279 F N -1.635 118.296 119.950 -0.032 0.000 2.686 279 F HA 0.236 4.761 4.527 -0.004 0.000 0.311 279 F C 0.955 176.737 175.800 -0.029 0.000 1.128 279 F CA -1.039 56.940 58.000 -0.035 0.000 0.946 279 F CB 1.642 40.611 39.000 -0.052 0.000 1.336 279 F HN 0.052 nan 8.300 nan 0.000 0.457 280 D N 0.647 121.160 120.400 0.189 0.000 2.277 280 D HA 0.113 4.751 4.640 -0.005 0.000 0.208 280 D C -0.193 176.152 176.300 0.075 0.000 0.962 280 D CA 1.258 55.314 54.000 0.094 0.000 0.865 280 D CB 0.654 41.495 40.800 0.067 0.000 0.939 280 D HN 0.196 nan 8.370 nan 0.000 0.510 281 L N -0.555 120.718 121.223 0.084 0.000 2.643 281 L HA 0.516 4.854 4.340 -0.005 0.000 0.257 281 L C -2.146 174.679 176.870 -0.075 0.000 0.922 281 L CA -0.608 54.236 54.840 0.007 0.000 0.909 281 L CB 1.874 43.923 42.059 -0.018 0.000 1.424 281 L HN -0.165 nan 8.230 nan 0.000 0.422 282 A N 5.345 128.100 122.820 -0.108 0.000 2.374 282 A HA 0.882 5.200 4.320 -0.005 0.000 0.305 282 A C -1.158 176.291 177.584 -0.225 0.000 1.053 282 A CA -0.435 51.462 52.037 -0.234 0.000 0.726 282 A CB 1.045 19.966 19.000 -0.133 0.000 1.229 282 A HN 0.635 nan 8.150 nan 0.000 0.431 283 I N 1.551 121.931 120.570 -0.317 0.000 2.460 283 I HA 0.652 4.819 4.170 -0.005 0.000 0.298 283 I C 0.712 176.682 176.117 -0.244 0.000 0.989 283 I CA -0.519 60.623 61.300 -0.262 0.000 1.173 283 I CB 2.360 40.165 38.000 -0.324 0.000 1.338 283 I HN 0.728 nan 8.210 nan 0.000 0.456 284 G N 3.928 112.659 108.800 -0.115 0.000 2.571 284 G HA2 0.563 4.521 3.960 -0.005 0.000 0.304 284 G HA3 0.563 4.521 3.960 -0.005 0.000 0.304 284 G C -1.384 173.534 174.900 0.029 0.000 1.314 284 G CA -0.517 44.539 45.100 -0.072 0.000 0.975 284 G HN 0.530 nan 8.290 nan 0.000 0.485 285 N N 0.501 119.232 118.700 0.053 0.000 2.262 285 N HA 0.347 5.084 4.740 -0.005 0.000 0.295 285 N C -0.930 174.601 175.510 0.035 0.000 1.161 285 N CA -0.605 52.502 53.050 0.096 0.000 0.767 285 N CB 2.727 41.328 38.487 0.190 0.000 1.499 285 N HN 0.744 nan 8.380 nan 0.000 0.476 286 D N -0.030 120.384 120.400 0.023 0.000 2.433 286 D HA 0.273 4.911 4.640 -0.005 0.000 0.255 286 D C -1.835 174.458 176.300 -0.011 0.000 1.226 286 D CA -1.177 52.822 54.000 -0.002 0.000 1.015 286 D CB 0.046 40.846 40.800 0.000 0.000 1.091 286 D HN 0.100 nan 8.370 nan 0.000 0.527 287 P HA -0.181 nan 4.420 nan 0.000 0.217 287 P C 0.749 178.030 177.300 -0.032 0.000 1.158 287 P CA 2.106 65.184 63.100 -0.036 0.000 0.887 287 P CB -0.042 31.688 31.700 0.049 0.000 0.792 288 D N -2.049 118.342 120.400 -0.016 0.000 2.340 288 D HA 0.171 4.808 4.640 -0.005 0.000 0.217 288 D C 0.553 176.815 176.300 -0.063 0.000 1.081 288 D CA 0.250 54.223 54.000 -0.044 0.000 0.842 288 D CB -0.677 40.095 40.800 -0.047 0.000 0.934 288 D HN 0.105 nan 8.370 nan 0.000 0.511 289 A N 2.019 124.817 122.820 -0.037 0.000 2.748 289 A HA -0.244 4.074 4.320 -0.005 0.000 0.297 289 A C 1.115 178.675 177.584 -0.041 0.000 1.508 289 A CA 1.370 53.393 52.037 -0.022 0.000 0.799 289 A CB -2.138 16.834 19.000 -0.046 0.000 1.011 289 A HN 0.572 nan 8.150 nan 0.000 0.500 290 D N -1.410 118.961 120.400 -0.049 0.000 2.350 290 D HA 0.091 4.728 4.640 -0.005 0.000 0.213 290 D C 0.758 177.045 176.300 -0.022 0.000 1.031 290 D CA 0.551 54.503 54.000 -0.080 0.000 0.861 290 D CB 0.080 40.805 40.800 -0.124 0.000 0.926 290 D HN 0.758 nan 8.370 nan 0.000 0.520 291 R N -0.198 120.324 120.500 0.037 0.000 2.919 291 R HA 0.514 4.852 4.340 -0.005 0.000 0.260 291 R C -0.215 176.198 176.300 0.188 0.000 1.067 291 R CA -0.831 55.325 56.100 0.094 0.000 1.003 291 R CB 1.505 31.806 30.300 0.003 0.000 1.192 291 R HN 0.243 nan 8.270 nan 0.000 0.488 292 H N -1.714 117.379 119.070 0.039 0.000 3.016 292 H HA 0.606 5.159 4.556 -0.005 0.000 0.362 292 H C -1.193 174.134 175.328 -0.002 0.000 1.233 292 H CA -1.213 54.857 56.048 0.036 0.000 1.124 292 H CB 1.858 31.665 29.762 0.075 0.000 1.850 292 H HN 0.773 nan 8.280 nan 0.000 0.549 293 G N 1.323 110.115 108.800 -0.014 0.000 2.617 293 G HA2 0.522 4.479 3.960 -0.005 0.000 0.306 293 G HA3 0.522 4.479 3.960 -0.005 0.000 0.306 293 G C -1.233 173.607 174.900 -0.100 0.000 1.360 293 G CA -0.674 44.367 45.100 -0.098 0.000 0.983 293 G HN 0.430 nan 8.290 nan 0.000 0.496 294 I N 2.214 122.695 120.570 -0.148 0.000 2.389 294 I HA 0.393 4.560 4.170 -0.005 0.000 0.288 294 I C -0.251 175.798 176.117 -0.114 0.000 0.999 294 I CA -0.968 60.221 61.300 -0.186 0.000 1.129 294 I CB 1.302 39.085 38.000 -0.362 0.000 1.288 294 I HN 0.075 nan 8.210 nan 0.000 0.444 295 V N 5.707 125.566 119.914 -0.092 0.000 2.581 295 V HA 0.765 4.882 4.120 -0.005 0.000 0.303 295 V C 0.298 176.380 176.094 -0.020 0.000 1.041 295 V CA -0.342 61.930 62.300 -0.046 0.000 0.907 295 V CB 2.234 34.037 31.823 -0.033 0.000 0.994 295 V HN 0.952 nan 8.190 nan 0.000 0.442 296 T N 1.485 116.042 114.554 0.004 0.000 2.812 296 T HA 0.482 4.830 4.350 -0.005 0.000 0.294 296 T C -2.538 172.178 174.700 0.027 0.000 1.159 296 T CA -1.816 60.298 62.100 0.023 0.000 1.008 296 T CB 1.995 70.879 68.868 0.027 0.000 1.289 296 T HN 0.282 nan 8.240 nan 0.000 0.514 297 P HA -0.068 nan 4.420 nan 0.000 0.218 297 P C 1.274 178.584 177.300 0.017 0.000 1.146 297 P CA 0.800 63.913 63.100 0.020 0.000 0.813 297 P CB 0.072 31.782 31.700 0.017 0.000 0.778 298 R N -1.261 119.253 120.500 0.023 0.000 2.276 298 R HA 0.310 4.647 4.340 -0.005 0.000 0.203 298 R C 1.461 177.772 176.300 0.017 0.000 1.017 298 R CA 0.858 56.972 56.100 0.024 0.000 1.010 298 R CB -1.259 29.063 30.300 0.037 0.000 0.900 298 R HN 0.233 nan 8.270 nan 0.000 0.469 299 G N 0.376 109.183 108.800 0.011 0.000 2.280 299 G HA2 -0.080 3.878 3.960 -0.005 0.000 0.277 299 G HA3 -0.080 3.878 3.960 -0.005 0.000 0.277 299 G C -1.773 173.120 174.900 -0.011 0.000 1.288 299 G CA -0.573 44.527 45.100 0.000 0.000 1.075 299 G HN 0.144 nan 8.290 nan 0.000 0.480 300 L N 1.181 122.389 121.223 -0.025 0.000 2.276 300 L HA 0.783 5.120 4.340 -0.005 0.000 0.286 300 L C 0.822 177.658 176.870 -0.057 0.000 1.061 300 L CA -0.371 54.442 54.840 -0.045 0.000 0.807 300 L CB 0.842 42.869 42.059 -0.053 0.000 1.177 300 L HN 0.642 nan 8.230 nan 0.000 0.429 301 M N 4.299 123.862 119.600 -0.061 0.000 2.233 301 M HA 0.147 4.624 4.480 -0.005 0.000 0.350 301 M C 0.365 176.586 176.300 -0.132 0.000 1.176 301 M CA -0.076 55.183 55.300 -0.069 0.000 1.150 301 M CB 0.494 33.090 32.600 -0.007 0.000 1.530 301 M HN 0.652 nan 8.290 nan 0.000 0.459 302 N N 3.746 122.291 118.700 -0.259 0.000 2.483 302 N HA 0.063 4.801 4.740 -0.005 0.000 0.264 302 N C -2.120 173.244 175.510 -0.244 0.000 1.197 302 N CA -1.181 51.637 53.050 -0.386 0.000 0.927 302 N CB 1.175 39.120 38.487 -0.903 0.000 1.065 302 N HN 0.286 nan 8.380 nan 0.000 0.461 303 P HA -0.171 nan 4.420 nan 0.000 0.215 303 P C 0.976 178.289 177.300 0.022 0.000 1.163 303 P CA 1.409 64.471 63.100 -0.063 0.000 0.894 303 P CB 0.247 31.887 31.700 -0.099 0.000 0.791 304 N N -1.396 117.271 118.700 -0.056 0.000 2.137 304 N HA -0.195 4.542 4.740 -0.005 0.000 0.190 304 N C 1.732 177.341 175.510 0.165 0.000 1.017 304 N CA 1.342 54.420 53.050 0.047 0.000 0.859 304 N CB -0.892 37.585 38.487 -0.018 0.000 1.002 304 N HN 0.480 nan 8.380 nan 0.000 0.428 305 H N -1.789 117.197 119.070 -0.139 0.000 2.389 305 H HA -0.134 4.419 4.556 -0.005 0.000 0.299 305 H C 1.689 177.002 175.328 -0.025 0.000 1.081 305 H CA 0.932 56.790 56.048 -0.317 0.000 1.345 305 H CB -0.025 29.176 29.762 -0.935 0.000 1.393 305 H HN 0.234 nan 8.280 nan 0.000 0.520 306 Y N 1.944 122.300 120.300 0.093 0.000 2.163 306 Y HA -0.190 4.357 4.550 -0.005 0.000 0.288 306 Y C 2.229 178.261 175.900 0.220 0.000 1.136 306 Y CA 1.004 59.197 58.100 0.155 0.000 1.147 306 Y CB -0.607 37.955 38.460 0.169 0.000 0.987 306 Y HN 0.032 nan 8.280 nan 0.000 0.509 307 L N -0.081 121.183 121.223 0.068 0.000 2.013 307 L HA -0.316 4.022 4.340 -0.005 0.000 0.212 307 L C 2.806 179.642 176.870 -0.056 0.000 1.073 307 L CA 1.417 56.306 54.840 0.082 0.000 0.753 307 L CB -1.300 40.945 42.059 0.310 0.000 0.890 307 L HN 0.336 nan 8.230 nan 0.000 0.432 308 A N 0.199 123.053 122.820 0.056 0.000 1.859 308 A HA -0.270 4.047 4.320 -0.005 0.000 0.217 308 A C 2.556 180.148 177.584 0.014 0.000 1.198 308 A CA 2.343 54.422 52.037 0.070 0.000 0.629 308 A CB -0.959 18.175 19.000 0.223 0.000 0.830 308 A HN 0.436 nan 8.150 nan 0.000 0.446 309 A N -0.430 122.416 122.820 0.044 0.000 1.877 309 A HA 0.144 4.461 4.320 -0.005 0.000 0.216 309 A C 2.555 180.116 177.584 -0.039 0.000 1.186 309 A CA 2.389 54.452 52.037 0.043 0.000 0.620 309 A CB -1.171 17.902 19.000 0.121 0.000 0.822 309 A HN 1.215 nan 8.150 nan 0.000 0.443 310 A N -0.555 122.104 122.820 -0.268 0.000 1.908 310 A HA -0.086 4.232 4.320 -0.005 0.000 0.218 310 A C 2.153 179.607 177.584 -0.215 0.000 1.181 310 A CA 1.832 53.712 52.037 -0.261 0.000 0.627 310 A CB -0.656 18.061 19.000 -0.471 0.000 0.818 310 A HN 0.712 nan 8.150 nan 0.000 0.445 311 L N -0.882 120.113 121.223 -0.380 0.000 2.017 311 L HA -0.183 4.155 4.340 -0.005 0.000 0.208 311 L C 2.357 179.171 176.870 -0.092 0.000 1.073 311 L CA 2.904 57.469 54.840 -0.459 0.000 0.745 311 L CB -0.854 40.861 42.059 -0.573 0.000 0.894 311 L HN 0.627 nan 8.230 nan 0.000 0.432 312 H N -2.044 116.965 119.070 -0.103 0.000 2.353 312 H HA -0.226 4.327 4.556 -0.005 0.000 0.300 312 H C 2.299 177.624 175.328 -0.005 0.000 1.090 312 H CA 2.116 58.147 56.048 -0.030 0.000 1.327 312 H CB -0.073 29.678 29.762 -0.017 0.000 1.383 312 H HN 0.622 nan 8.280 nan 0.000 0.508 313 H N -0.066 118.986 119.070 -0.030 0.000 2.321 313 H HA -0.085 4.468 4.556 -0.005 0.000 0.300 313 H C 2.236 177.429 175.328 -0.225 0.000 1.087 313 H CA 1.934 57.924 56.048 -0.097 0.000 1.319 313 H CB -0.443 29.289 29.762 -0.050 0.000 1.379 313 H HN 0.372 nan 8.280 nan 0.000 0.501 314 L N -0.756 120.230 121.223 -0.396 0.000 1.955 314 L HA -0.238 4.099 4.340 -0.005 0.000 0.213 314 L C 1.719 178.162 176.870 -0.712 0.000 1.072 314 L CA 1.602 56.062 54.840 -0.632 0.000 0.755 314 L CB -0.641 41.140 42.059 -0.464 0.000 0.888 314 L HN 0.325 nan 8.230 nan 0.000 0.432 315 Y N -1.067 118.988 120.300 -0.408 0.000 2.584 315 Y HA -0.118 4.430 4.550 -0.005 0.000 0.317 315 Y C 2.103 177.781 175.900 -0.370 0.000 1.208 315 Y CA 0.617 58.511 58.100 -0.343 0.000 1.299 315 Y CB -0.174 38.181 38.460 -0.175 0.000 1.047 315 Y HN 0.098 nan 8.280 nan 0.000 0.506 316 T N -2.284 112.058 114.554 -0.353 0.000 2.975 316 T HA 0.001 4.348 4.350 -0.005 0.000 0.257 316 T C 1.710 176.228 174.700 -0.305 0.000 1.003 316 T CA 1.177 63.087 62.100 -0.318 0.000 0.932 316 T CB 0.222 68.868 68.868 -0.370 0.000 1.087 316 T HN 0.493 nan 8.240 nan 0.000 0.512 317 T N -1.728 112.567 114.554 -0.433 0.000 2.964 317 T HA 0.411 4.758 4.350 -0.005 0.000 0.250 317 T C 0.703 175.157 174.700 -0.411 0.000 0.982 317 T CA -0.371 61.502 62.100 -0.379 0.000 0.959 317 T CB 0.490 69.103 68.868 -0.424 0.000 1.141 317 T HN -0.079 nan 8.240 nan 0.000 0.494 318 R N 2.043 122.133 120.500 -0.684 0.000 2.500 318 R HA 0.669 5.006 4.340 -0.005 0.000 0.277 318 R C -0.228 175.639 176.300 -0.721 0.000 1.026 318 R CA -0.338 55.238 56.100 -0.874 0.000 1.058 318 R CB 1.228 30.330 30.300 -1.998 0.000 1.078 318 R HN 0.251 nan 8.270 nan 0.000 0.509 319 S N 2.285 117.692 115.700 -0.488 0.000 2.488 319 S HA 0.327 4.794 4.470 -0.005 0.000 0.310 319 S C -1.224 173.353 174.600 -0.037 0.000 1.093 319 S CA -0.624 57.455 58.200 -0.202 0.000 1.129 319 S CB 0.121 63.276 63.200 -0.075 0.000 0.989 319 S HN 0.481 nan 8.310 nan 0.000 0.479 320 W N 5.386 126.671 121.300 -0.026 0.000 2.149 320 W HA 0.350 5.008 4.660 -0.004 0.000 0.291 320 W C -2.832 173.721 176.519 0.056 0.000 0.875 320 W CA -3.144 54.199 57.345 -0.003 0.000 1.885 320 W CB -0.534 28.884 29.460 -0.068 0.000 2.062 320 W HN 0.461 nan 8.180 nan 0.000 0.391 321 P HA 0.040 nan 4.420 nan 0.000 0.260 321 P C 0.961 178.363 177.300 0.171 0.000 1.172 321 P CA 1.393 64.592 63.100 0.167 0.000 0.760 321 P CB 0.406 32.178 31.700 0.119 0.000 0.773 322 G N 2.620 111.514 108.800 0.157 0.000 2.371 322 G HA2 -0.026 3.932 3.960 -0.005 0.000 0.299 322 G HA3 -0.026 3.932 3.960 -0.005 0.000 0.299 322 G C 0.146 175.158 174.900 0.186 0.000 1.014 322 G CA 0.021 45.207 45.100 0.145 0.000 1.097 322 G HN 0.817 nan 8.290 nan 0.000 0.512 323 A N 0.240 123.207 122.820 0.245 0.000 2.319 323 A HA 0.777 5.094 4.320 -0.005 0.000 0.310 323 A C 0.347 178.110 177.584 0.299 0.000 1.152 323 A CA -0.585 51.605 52.037 0.255 0.000 0.783 323 A CB 1.089 20.244 19.000 0.259 0.000 1.184 323 A HN 0.426 nan 8.150 nan 0.000 0.474 324 K N 0.658 121.196 120.400 0.229 0.000 2.098 324 K HA 0.557 4.874 4.320 -0.005 0.000 0.244 324 K C -0.626 176.082 176.600 0.179 0.000 1.014 324 K CA -0.598 55.800 56.287 0.185 0.000 0.917 324 K CB 1.284 33.915 32.500 0.220 0.000 1.072 324 K HN 0.376 nan 8.250 nan 0.000 0.477 325 V N 1.656 121.634 119.914 0.107 0.000 2.333 325 V HA 0.274 4.391 4.120 -0.005 0.000 0.274 325 V C 0.372 176.557 176.094 0.152 0.000 1.028 325 V CA -0.739 61.639 62.300 0.130 0.000 0.851 325 V CB 0.942 32.755 31.823 -0.017 0.000 1.000 325 V HN 0.861 nan 8.190 nan 0.000 0.456 326 G N 4.798 113.633 108.800 0.060 0.000 2.377 326 G HA2 0.727 4.685 3.960 -0.005 0.000 0.299 326 G HA3 0.727 4.685 3.960 -0.005 0.000 0.299 326 G C -0.588 174.181 174.900 -0.219 0.000 1.150 326 G CA -0.509 44.544 45.100 -0.077 0.000 0.847 326 G HN 0.834 nan 8.290 nan 0.000 0.501 327 K N -0.366 120.115 120.400 0.133 0.000 2.597 327 K HA 0.569 4.886 4.320 -0.005 0.000 0.282 327 K C -0.472 176.404 176.600 0.460 0.000 0.975 327 K CA -0.941 55.520 56.287 0.289 0.000 0.867 327 K CB 0.931 33.553 32.500 0.203 0.000 1.465 327 K HN 0.544 nan 8.250 nan 0.000 0.417 328 T N -1.525 113.270 114.554 0.401 0.000 2.849 328 T HA 0.394 4.741 4.350 -0.005 0.000 0.284 328 T C 1.413 176.117 174.700 0.006 0.000 1.004 328 T CA -0.238 61.958 62.100 0.160 0.000 1.021 328 T CB 1.390 70.332 68.868 0.123 0.000 1.013 328 T HN 0.702 nan 8.240 nan 0.000 0.527 329 A N 0.880 123.638 122.820 -0.104 0.000 2.024 329 A HA -0.008 4.309 4.320 -0.005 0.000 0.220 329 A C 2.138 179.538 177.584 -0.306 0.000 1.164 329 A CA 1.699 53.605 52.037 -0.218 0.000 0.643 329 A CB -1.124 17.749 19.000 -0.211 0.000 0.806 329 A HN 1.325 nan 8.150 nan 0.000 0.451 330 V N -3.566 116.251 119.914 -0.162 0.000 3.596 330 V HA 0.197 4.314 4.120 -0.005 0.000 0.289 330 V C 0.641 176.907 176.094 0.286 0.000 1.336 330 V CA 0.279 62.578 62.300 -0.002 0.000 1.137 330 V CB -1.005 30.643 31.823 -0.290 0.000 0.966 330 V HN 0.197 nan 8.190 nan 0.000 0.428 331 T N 1.781 116.424 114.554 0.147 0.000 2.910 331 T HA 0.291 4.639 4.350 -0.005 0.000 0.293 331 T C 0.413 175.304 174.700 0.319 0.000 1.015 331 T CA 0.553 62.795 62.100 0.237 0.000 1.094 331 T CB 1.234 70.223 68.868 0.201 0.000 0.968 331 T HN 0.589 nan 8.240 nan 0.000 0.521 332 S N 1.636 117.561 115.700 0.376 0.000 2.599 332 S HA 0.026 4.493 4.470 -0.005 0.000 0.303 332 S C 1.388 176.231 174.600 0.405 0.000 1.267 332 S CA -0.093 58.389 58.200 0.471 0.000 1.055 332 S CB 0.017 63.422 63.200 0.341 0.000 0.790 332 S HN 0.808 nan 8.310 nan 0.000 0.500 333 A N 4.753 127.906 122.820 0.555 0.000 2.235 333 A HA 0.096 4.413 4.320 -0.005 0.000 0.208 333 A C 1.724 179.595 177.584 0.480 0.000 1.172 333 A CA 0.478 52.792 52.037 0.462 0.000 0.786 333 A CB -0.385 19.002 19.000 0.645 0.000 0.804 333 A HN 0.849 nan 8.150 nan 0.000 0.479 334 L N -0.873 120.675 121.223 0.543 0.000 2.141 334 L HA -0.051 4.286 4.340 -0.005 0.000 0.209 334 L C 1.933 178.934 176.870 0.218 0.000 1.094 334 L CA 1.519 56.617 54.840 0.430 0.000 0.763 334 L CB -0.629 41.676 42.059 0.410 0.000 0.908 334 L HN 0.278 nan 8.230 nan 0.000 0.437 335 L N -0.275 121.066 121.223 0.197 0.000 2.046 335 L HA -0.223 4.114 4.340 -0.005 0.000 0.208 335 L C 2.134 179.041 176.870 0.062 0.000 1.077 335 L CA 1.792 56.694 54.840 0.104 0.000 0.747 335 L CB -1.081 41.053 42.059 0.125 0.000 0.896 335 L HN 0.277 nan 8.230 nan 0.000 0.432 336 D N -0.764 119.687 120.400 0.086 0.000 2.104 336 D HA -0.174 4.464 4.640 -0.005 0.000 0.194 336 D C 2.319 178.621 176.300 0.004 0.000 0.994 336 D CA 1.212 55.234 54.000 0.037 0.000 0.830 336 D CB -0.126 40.698 40.800 0.041 0.000 0.959 336 D HN 0.226 nan 8.370 nan 0.000 0.452 337 R N 0.188 120.693 120.500 0.009 0.000 2.148 337 R HA -0.027 4.310 4.340 -0.005 0.000 0.227 337 R C 2.170 178.454 176.300 -0.026 0.000 1.103 337 R CA 0.500 56.574 56.100 -0.043 0.000 0.983 337 R CB -0.272 29.965 30.300 -0.106 0.000 0.874 337 R HN 0.155 nan 8.270 nan 0.000 0.451 338 V N 1.014 120.928 119.914 -0.001 0.000 2.379 338 V HA -0.189 3.928 4.120 -0.005 0.000 0.245 338 V C 2.460 178.535 176.094 -0.032 0.000 1.044 338 V CA 1.877 64.182 62.300 0.008 0.000 1.036 338 V CB -0.570 31.267 31.823 0.022 0.000 0.664 338 V HN 0.358 nan 8.190 nan 0.000 0.453 339 A N -0.626 122.148 122.820 -0.076 0.000 1.858 339 A HA -0.302 4.015 4.320 -0.005 0.000 0.216 339 A C 2.258 179.787 177.584 -0.092 0.000 1.190 339 A CA 2.100 54.053 52.037 -0.140 0.000 0.617 339 A CB -0.637 18.281 19.000 -0.137 0.000 0.827 339 A HN 0.562 nan 8.150 nan 0.000 0.443 340 Q N -0.508 119.257 119.800 -0.058 0.000 2.077 340 Q HA -0.208 4.129 4.340 -0.005 0.000 0.206 340 Q C 2.155 178.132 176.000 -0.037 0.000 0.989 340 Q CA 1.946 57.722 55.803 -0.045 0.000 0.853 340 Q CB -0.383 28.330 28.738 -0.041 0.000 0.907 340 Q HN 0.606 nan 8.270 nan 0.000 0.418 341 A N 0.359 123.161 122.820 -0.030 0.000 2.024 341 A HA -0.108 4.209 4.320 -0.005 0.000 0.220 341 A C 1.673 179.253 177.584 -0.006 0.000 1.164 341 A CA 1.009 53.039 52.037 -0.012 0.000 0.643 341 A CB -0.291 18.712 19.000 0.004 0.000 0.806 341 A HN 0.462 nan 8.150 nan 0.000 0.451 342 L N -0.997 120.210 121.223 -0.025 0.000 2.741 342 L HA 0.249 4.586 4.340 -0.005 0.000 0.237 342 L C 1.391 178.236 176.870 -0.042 0.000 1.178 342 L CA 0.270 55.087 54.840 -0.037 0.000 0.973 342 L CB -0.216 41.802 42.059 -0.069 0.000 1.255 342 L HN 0.529 nan 8.230 nan 0.000 0.498 343 G N 0.934 109.712 108.800 -0.036 0.000 2.283 343 G HA2 -0.263 3.694 3.960 -0.005 0.000 0.280 343 G HA3 -0.263 3.694 3.960 -0.005 0.000 0.280 343 G C 0.233 175.113 174.900 -0.033 0.000 1.029 343 G CA 0.152 45.237 45.100 -0.025 0.000 0.840 343 G HN 0.271 nan 8.290 nan 0.000 0.505 344 R N 0.055 120.509 120.500 -0.077 0.000 2.664 344 R HA 0.511 4.849 4.340 -0.005 0.000 0.286 344 R C 0.222 176.479 176.300 -0.073 0.000 0.967 344 R CA -0.607 55.430 56.100 -0.105 0.000 0.933 344 R CB 1.170 31.289 30.300 -0.302 0.000 1.146 344 R HN 0.547 nan 8.270 nan 0.000 0.468 345 E N 0.995 121.180 120.200 -0.026 0.000 2.242 345 E HA 0.320 4.667 4.350 -0.005 0.000 0.275 345 E C -0.103 176.520 176.600 0.039 0.000 1.002 345 E CA -0.901 55.507 56.400 0.013 0.000 0.841 345 E CB 2.014 31.741 29.700 0.046 0.000 1.109 345 E HN 0.351 nan 8.360 nan 0.000 0.394 346 V N 0.691 120.639 119.914 0.058 0.000 2.834 346 V HA 0.440 4.557 4.120 -0.005 0.000 0.313 346 V C -1.150 175.063 176.094 0.199 0.000 1.060 346 V CA -0.629 61.732 62.300 0.102 0.000 0.989 346 V CB 1.098 32.955 31.823 0.057 0.000 1.041 346 V HN 0.744 nan 8.190 nan 0.000 0.459 347 Y N 2.232 122.589 120.300 0.095 0.000 2.646 347 Y HA 0.528 5.075 4.550 -0.005 0.000 0.334 347 Y C 0.062 176.051 175.900 0.149 0.000 1.004 347 Y CA -0.511 57.675 58.100 0.143 0.000 1.301 347 Y CB 0.918 39.528 38.460 0.251 0.000 1.093 347 Y HN 0.956 nan 8.280 nan 0.000 0.530 348 E N 3.329 123.472 120.200 -0.094 0.000 2.313 348 E HA 0.400 4.747 4.350 -0.005 0.000 0.276 348 E C -0.316 176.128 176.600 -0.261 0.000 1.031 348 E CA -0.149 56.192 56.400 -0.098 0.000 0.857 348 E CB 0.888 30.517 29.700 -0.119 0.000 1.040 348 E HN 0.701 nan 8.360 nan 0.000 0.408 349 T N 0.957 115.417 114.554 -0.158 0.000 2.831 349 T HA 0.603 4.951 4.350 -0.005 0.000 0.287 349 T C -2.694 171.823 174.700 -0.305 0.000 1.070 349 T CA -2.179 59.736 62.100 -0.308 0.000 1.010 349 T CB 1.646 70.332 68.868 -0.304 0.000 1.264 349 T HN 0.167 nan 8.240 nan 0.000 0.532 350 P HA 0.378 nan 4.420 nan 0.000 0.277 350 P C -0.321 176.888 177.300 -0.151 0.000 1.271 350 P CA -0.683 62.225 63.100 -0.320 0.000 0.795 350 P CB 0.290 31.747 31.700 -0.406 0.000 1.101 351 V N -0.086 119.800 119.914 -0.046 0.000 2.999 351 V HA 0.393 4.510 4.120 -0.005 0.000 0.307 351 V C 0.898 177.059 176.094 0.113 0.000 1.084 351 V CA 1.297 63.612 62.300 0.026 0.000 1.155 351 V CB -0.704 31.137 31.823 0.029 0.000 0.975 351 V HN 0.974 nan 8.190 nan 0.000 0.490 352 G N 2.798 111.635 108.800 0.063 0.000 3.152 352 G HA2 -0.144 3.813 3.960 -0.005 0.000 0.666 352 G HA3 -0.144 3.813 3.960 -0.005 0.000 0.666 352 G C -0.407 174.394 174.900 -0.165 0.000 1.205 352 G CA -0.214 44.879 45.100 -0.013 0.000 1.178 352 G HN 0.741 nan 8.290 nan 0.000 0.510 353 F N 2.396 122.246 119.950 -0.168 0.000 2.346 353 F HA -0.129 4.395 4.527 -0.005 0.000 0.301 353 F C 2.740 178.396 175.800 -0.239 0.000 1.070 353 F CA 2.291 60.205 58.000 -0.143 0.000 1.407 353 F CB 0.248 39.278 39.000 0.049 0.000 1.072 353 F HN 0.680 nan 8.300 nan 0.000 0.543 354 K N -0.879 119.378 120.400 -0.237 0.000 2.152 354 K HA -0.233 4.084 4.320 -0.005 0.000 0.206 354 K C 1.544 177.895 176.600 -0.415 0.000 1.048 354 K CA 1.872 57.984 56.287 -0.291 0.000 0.933 354 K CB -1.029 31.285 32.500 -0.310 0.000 0.721 354 K HN 0.337 nan 8.250 nan 0.000 0.447 355 H N -0.436 118.400 119.070 -0.390 0.000 2.543 355 H HA -0.054 4.499 4.556 -0.005 0.000 0.286 355 H C 1.105 176.262 175.328 -0.285 0.000 1.037 355 H CA 0.955 56.797 56.048 -0.343 0.000 1.250 355 H CB -0.078 29.433 29.762 -0.419 0.000 1.373 355 H HN 0.294 nan 8.280 nan 0.000 0.580 356 F N -0.816 118.992 119.950 -0.237 0.000 2.656 356 F HA 0.031 4.556 4.527 -0.004 0.000 0.291 356 F C 2.346 177.886 175.800 -0.433 0.000 1.122 356 F CA -0.250 57.504 58.000 -0.409 0.000 1.427 356 F CB -0.770 37.763 39.000 -0.777 0.000 1.125 356 F HN -0.130 nan 8.300 nan 0.000 0.583 357 V N 0.993 120.803 119.914 -0.173 0.000 2.233 357 V HA -0.400 3.718 4.120 -0.005 0.000 0.252 357 V C 2.727 178.714 176.094 -0.177 0.000 1.063 357 V CA 2.317 64.533 62.300 -0.140 0.000 1.032 357 V CB -1.481 30.288 31.823 -0.090 0.000 0.645 357 V HN 0.353 nan 8.190 nan 0.000 0.446 358 A N 0.351 123.092 122.820 -0.133 0.000 1.883 358 A HA -0.161 4.157 4.320 -0.005 0.000 0.217 358 A C 2.439 179.815 177.584 -0.347 0.000 1.186 358 A CA 2.266 54.242 52.037 -0.102 0.000 0.624 358 A CB -1.414 17.629 19.000 0.071 0.000 0.822 358 A HN 0.606 nan 8.150 nan 0.000 0.444 359 G N -0.460 107.902 108.800 -0.729 0.000 2.442 359 G HA2 -0.162 3.795 3.960 -0.005 0.000 0.219 359 G HA3 -0.162 3.795 3.960 -0.005 0.000 0.219 359 G C 1.555 175.776 174.900 -1.132 0.000 1.141 359 G CA 1.140 45.160 45.100 -1.801 0.000 0.763 359 G HN 0.450 nan 8.290 nan 0.000 0.554 360 L N -0.594 120.252 121.223 -0.629 0.000 2.095 360 L HA 0.131 4.468 4.340 -0.005 0.000 0.204 360 L C 2.593 179.264 176.870 -0.331 0.000 1.080 360 L CA 0.186 54.763 54.840 -0.437 0.000 0.759 360 L CB -0.344 41.538 42.059 -0.295 0.000 0.914 360 L HN 0.198 nan 8.230 nan 0.000 0.439 361 L N 0.075 121.136 121.223 -0.269 0.000 2.131 361 L HA -0.193 4.144 4.340 -0.005 0.000 0.210 361 L C 2.070 178.852 176.870 -0.146 0.000 1.092 361 L CA 1.853 56.589 54.840 -0.175 0.000 0.759 361 L CB -0.336 41.647 42.059 -0.126 0.000 0.903 361 L HN 0.254 nan 8.230 nan 0.000 0.435 362 E N -1.551 118.540 120.200 -0.182 0.000 2.472 362 E HA 0.243 4.590 4.350 -0.005 0.000 0.196 362 E C 1.379 177.950 176.600 -0.049 0.000 1.033 362 E CA 0.519 56.888 56.400 -0.051 0.000 0.886 362 E CB 0.250 30.032 29.700 0.137 0.000 0.944 362 E HN 0.535 nan 8.360 nan 0.000 0.492 363 G N 1.564 110.237 108.800 -0.213 0.000 2.175 363 G HA2 -0.210 3.747 3.960 -0.005 0.000 0.244 363 G HA3 -0.210 3.747 3.960 -0.005 0.000 0.244 363 G C 0.565 175.405 174.900 -0.101 0.000 0.982 363 G CA 0.235 45.236 45.100 -0.165 0.000 0.641 363 G HN 0.420 nan 8.290 nan 0.000 0.527 364 W N 0.074 121.297 121.300 -0.129 0.000 3.256 364 W HA 0.643 5.300 4.660 -0.005 0.000 0.269 364 W C -0.074 176.363 176.519 -0.138 0.000 1.310 364 W CA -0.395 56.880 57.345 -0.116 0.000 1.673 364 W CB -0.249 29.138 29.460 -0.120 0.000 1.115 364 W HN 0.161 nan 8.180 nan 0.000 0.686 365 L N 1.679 122.674 121.223 -0.379 0.000 2.353 365 L HA 0.422 4.759 4.340 -0.005 0.000 0.270 365 L C 1.531 178.203 176.870 -0.330 0.000 1.003 365 L CA -0.330 54.308 54.840 -0.337 0.000 0.862 365 L CB 1.569 43.279 42.059 -0.582 0.000 1.221 365 L HN -0.030 nan 8.230 nan 0.000 0.430 366 G N 3.325 112.017 108.800 -0.180 0.000 2.394 366 G HA2 -0.151 3.807 3.960 -0.005 0.000 0.215 366 G HA3 -0.151 3.807 3.960 -0.005 0.000 0.215 366 G C 0.084 174.760 174.900 -0.373 0.000 1.165 366 G CA 0.567 45.299 45.100 -0.614 0.000 0.784 366 G HN 0.386 nan 8.290 nan 0.000 0.535 367 F N 0.392 120.309 119.950 -0.054 0.000 2.556 367 F HA 0.695 5.219 4.527 -0.004 0.000 0.314 367 F C -0.838 174.895 175.800 -0.110 0.000 1.106 367 F CA -1.187 56.845 58.000 0.053 0.000 0.911 367 F CB 2.073 41.245 39.000 0.286 0.000 1.190 367 F HN 0.161 nan 8.300 nan 0.000 0.448 368 A N 3.881 126.195 122.820 -0.843 0.000 2.375 368 A HA 0.829 5.146 4.320 -0.005 0.000 0.295 368 A C -0.916 176.123 177.584 -0.908 0.000 1.066 368 A CA -0.109 51.307 52.037 -1.036 0.000 0.722 368 A CB 1.028 19.316 19.000 -1.186 0.000 1.206 368 A HN 1.338 nan 8.150 nan 0.000 0.435 369 G N 0.898 109.337 108.800 -0.603 0.000 2.690 369 G HA2 0.637 4.594 3.960 -0.005 0.000 0.293 369 G HA3 0.637 4.594 3.960 -0.005 0.000 0.293 369 G C -1.142 173.924 174.900 0.278 0.000 1.399 369 G CA -0.507 44.574 45.100 -0.032 0.000 0.890 369 G HN 0.663 nan 8.290 nan 0.000 0.485 370 E N -0.533 119.881 120.200 0.357 0.000 2.281 370 E HA 0.235 4.582 4.350 -0.005 0.000 0.257 370 E C 0.211 176.945 176.600 0.223 0.000 0.971 370 E CA -0.766 55.831 56.400 0.327 0.000 0.839 370 E CB 2.086 31.985 29.700 0.331 0.000 1.238 370 E HN 0.581 nan 8.360 nan 0.000 0.412 371 E N 0.500 120.804 120.200 0.175 0.000 2.502 371 E HA -0.050 4.298 4.350 -0.005 0.000 0.194 371 E C 0.763 177.395 176.600 0.053 0.000 1.062 371 E CA 0.454 56.906 56.400 0.088 0.000 0.867 371 E CB 0.224 29.954 29.700 0.051 0.000 0.888 371 E HN 0.250 nan 8.360 nan 0.000 0.510 372 S N 0.189 115.945 115.700 0.094 0.000 2.743 372 S HA 0.408 4.875 4.470 -0.005 0.000 0.230 372 S C 0.600 175.210 174.600 0.016 0.000 0.950 372 S CA 0.592 58.829 58.200 0.061 0.000 0.976 372 S CB -0.922 62.330 63.200 0.087 0.000 0.779 372 S HN 0.514 nan 8.310 nan 0.000 0.487 373 A N -0.601 122.219 122.820 -0.000 0.000 2.914 373 A HA -0.017 4.300 4.320 -0.005 0.000 0.280 373 A C 0.548 178.112 177.584 -0.033 0.000 1.447 373 A CA 0.663 52.637 52.037 -0.105 0.000 0.759 373 A CB -1.917 16.963 19.000 -0.199 0.000 1.034 373 A HN 0.988 nan 8.150 nan 0.000 0.529 374 G N -1.760 107.107 108.800 0.111 0.000 2.638 374 G HA2 1.055 5.013 3.960 -0.005 0.000 0.302 374 G HA3 1.055 5.013 3.960 -0.005 0.000 0.302 374 G C -0.453 174.541 174.900 0.156 0.000 1.365 374 G CA 0.615 45.780 45.100 0.108 0.000 0.987 374 G HN 2.239 nan 8.290 nan 0.000 0.495 375 A N 0.405 123.259 122.820 0.058 0.000 2.483 375 A HA 0.956 5.273 4.320 -0.005 0.000 0.294 375 A C -0.645 176.895 177.584 -0.072 0.000 1.077 375 A CA 0.122 52.170 52.037 0.018 0.000 0.633 375 A CB 1.253 20.244 19.000 -0.015 0.000 1.318 375 A HN 2.161 nan 8.150 nan 0.000 0.455 376 S N -1.607 114.032 115.700 -0.101 0.000 2.611 376 S HA 0.811 5.278 4.470 -0.005 0.000 0.270 376 S C -1.687 172.865 174.600 -0.080 0.000 1.131 376 S CA 0.057 58.193 58.200 -0.106 0.000 0.826 376 S CB 0.793 63.980 63.200 -0.022 0.000 1.095 376 S HN 2.063 nan 8.310 nan 0.000 0.461 377 F N 0.238 120.150 119.950 -0.064 0.000 2.754 377 F HA 0.768 5.292 4.527 -0.004 0.000 0.320 377 F C -1.532 174.153 175.800 -0.191 0.000 1.156 377 F CA -1.389 56.530 58.000 -0.136 0.000 0.950 377 F CB 0.410 39.469 39.000 0.098 0.000 1.388 377 F HN 0.505 nan 8.300 nan 0.000 0.485 378 L N 2.150 123.282 121.223 -0.151 0.000 2.399 378 L HA 0.544 4.882 4.340 -0.005 0.000 0.266 378 L C 0.518 177.458 176.870 0.117 0.000 1.114 378 L CA -1.071 53.634 54.840 -0.225 0.000 0.804 378 L CB 1.077 42.723 42.059 -0.687 0.000 1.146 378 L HN 0.772 nan 8.230 nan 0.000 0.451 379 R N 0.521 121.046 120.500 0.042 0.000 2.801 379 R HA 0.135 4.473 4.340 -0.005 0.000 0.273 379 R C 0.570 176.987 176.300 0.196 0.000 1.080 379 R CA -0.451 55.656 56.100 0.010 0.000 1.197 379 R CB 0.079 30.400 30.300 0.035 0.000 1.109 379 R HN 0.294 nan 8.270 nan 0.000 0.535 380 F N 0.626 120.739 119.950 0.273 0.000 2.063 380 F HA -0.288 4.237 4.527 -0.005 0.000 0.298 380 F C 2.072 178.015 175.800 0.238 0.000 1.109 380 F CA 1.898 60.029 58.000 0.219 0.000 1.212 380 F CB -0.726 38.312 39.000 0.063 0.000 0.973 380 F HN 0.637 nan 8.300 nan 0.000 0.480 381 D N -0.509 120.105 120.400 0.356 0.000 2.242 381 D HA -0.237 4.401 4.640 -0.005 0.000 0.190 381 D C 2.217 178.646 176.300 0.216 0.000 1.012 381 D CA 2.363 56.498 54.000 0.225 0.000 0.875 381 D CB -0.626 40.269 40.800 0.157 0.000 0.922 381 D HN 0.515 nan 8.370 nan 0.000 0.448 382 G N -0.274 108.653 108.800 0.211 0.000 2.260 382 G HA2 -0.210 3.747 3.960 -0.005 0.000 0.179 382 G HA3 -0.210 3.747 3.960 -0.005 0.000 0.179 382 G C 0.317 175.191 174.900 -0.043 0.000 1.002 382 G CA -0.054 45.108 45.100 0.103 0.000 0.677 382 G HN 0.281 nan 8.290 nan 0.000 0.486 383 R N 1.497 122.001 120.500 0.007 0.000 2.637 383 R HA 0.483 4.821 4.340 -0.005 0.000 0.269 383 R C -2.172 174.091 176.300 -0.061 0.000 1.089 383 R CA -1.163 54.922 56.100 -0.026 0.000 1.177 383 R CB 0.556 30.864 30.300 0.014 0.000 1.091 383 R HN 0.157 nan 8.270 nan 0.000 0.540 384 P HA -0.016 nan 4.420 nan 0.000 0.279 384 P C -0.593 176.688 177.300 -0.032 0.000 1.239 384 P CA 0.036 63.077 63.100 -0.099 0.000 0.789 384 P CB 0.756 32.376 31.700 -0.135 0.000 0.933 385 F N 2.554 122.390 119.950 -0.190 0.000 2.208 385 F HA 0.224 4.748 4.527 -0.004 0.000 0.282 385 F C 0.658 176.351 175.800 -0.178 0.000 1.071 385 F CA 0.762 58.642 58.000 -0.200 0.000 1.228 385 F CB -0.055 38.774 39.000 -0.284 0.000 1.088 385 F HN 0.289 nan 8.300 nan 0.000 0.512 386 S N -0.566 114.918 115.700 -0.358 0.000 2.594 386 S HA 0.357 4.824 4.470 -0.005 0.000 0.296 386 S C 0.326 174.831 174.600 -0.159 0.000 1.124 386 S CA -0.036 57.935 58.200 -0.382 0.000 1.011 386 S CB 1.145 64.119 63.200 -0.377 0.000 1.016 386 S HN 0.406 nan 8.310 nan 0.000 0.485 387 T N 0.501 114.979 114.554 -0.127 0.000 3.129 387 T HA 0.196 4.543 4.350 -0.005 0.000 0.251 387 T C 0.335 175.126 174.700 0.153 0.000 1.117 387 T CA 0.087 62.175 62.100 -0.019 0.000 1.034 387 T CB -0.109 68.719 68.868 -0.067 0.000 0.968 387 T HN 0.503 nan 8.240 nan 0.000 0.526 388 D N 0.890 121.312 120.400 0.037 0.000 2.449 388 D HA 0.358 4.995 4.640 -0.005 0.000 0.250 388 D C -0.509 175.595 176.300 -0.327 0.000 1.050 388 D CA -0.839 53.140 54.000 -0.034 0.000 1.024 388 D CB 1.710 42.444 40.800 -0.110 0.000 1.218 388 D HN 0.061 nan 8.370 nan 0.000 0.566 389 K N 0.910 120.842 120.400 -0.779 0.000 2.451 389 K HA 0.072 4.389 4.320 -0.005 0.000 0.280 389 K C -0.374 176.043 176.600 -0.305 0.000 1.020 389 K CA 0.187 56.034 56.287 -0.733 0.000 1.008 389 K CB 0.483 32.551 32.500 -0.721 0.000 0.917 389 K HN 0.205 nan 8.250 nan 0.000 0.478 390 D N 2.357 122.644 120.400 -0.189 0.000 2.454 390 D HA 0.162 4.799 4.640 -0.005 0.000 0.247 390 D C 0.755 177.030 176.300 -0.042 0.000 1.129 390 D CA -0.378 53.569 54.000 -0.089 0.000 0.877 390 D CB 1.461 42.251 40.800 -0.017 0.000 1.082 390 D HN 0.667 nan 8.370 nan 0.000 0.537 391 G N 3.163 111.958 108.800 -0.009 0.000 2.448 391 G HA2 -0.130 3.827 3.960 -0.005 0.000 0.218 391 G HA3 -0.130 3.827 3.960 -0.005 0.000 0.218 391 G C 1.603 176.556 174.900 0.088 0.000 1.135 391 G CA 0.367 45.520 45.100 0.088 0.000 0.784 391 G HN 0.571 nan 8.290 nan 0.000 0.543 392 I N -0.076 120.487 120.570 -0.011 0.000 2.193 392 I HA -0.059 4.108 4.170 -0.005 0.000 0.240 392 I C 2.521 178.667 176.117 0.048 0.000 1.084 392 I CA 0.458 61.700 61.300 -0.098 0.000 1.365 392 I CB -0.309 37.371 38.000 -0.533 0.000 1.064 392 I HN 0.134 nan 8.210 nan 0.000 0.410 393 L N 0.461 121.726 121.223 0.069 0.000 2.043 393 L HA -0.226 4.111 4.340 -0.005 0.000 0.212 393 L C 2.398 179.328 176.870 0.100 0.000 1.075 393 L CA 1.959 56.815 54.840 0.027 0.000 0.752 393 L CB -0.432 41.552 42.059 -0.124 0.000 0.891 393 L HN 0.169 nan 8.230 nan 0.000 0.432 394 M N -0.905 118.718 119.600 0.038 0.000 2.296 394 M HA -0.008 4.469 4.480 -0.005 0.000 0.265 394 M C 2.192 178.555 176.300 0.105 0.000 1.064 394 M CA 1.340 56.659 55.300 0.032 0.000 1.109 394 M CB -1.969 30.260 32.600 -0.618 0.000 1.396 394 M HN 0.409 nan 8.290 nan 0.000 0.430 395 G N -0.059 108.822 108.800 0.135 0.000 2.394 395 G HA2 -0.103 3.854 3.960 -0.005 0.000 0.214 395 G HA3 -0.103 3.854 3.960 -0.005 0.000 0.214 395 G C 1.662 176.706 174.900 0.240 0.000 1.176 395 G CA 0.194 45.414 45.100 0.200 0.000 0.786 395 G HN 0.394 nan 8.290 nan 0.000 0.533 396 L N -0.160 121.252 121.223 0.315 0.000 2.079 396 L HA -0.064 4.273 4.340 -0.005 0.000 0.210 396 L C 2.687 179.686 176.870 0.214 0.000 1.081 396 L CA 0.520 55.514 54.840 0.257 0.000 0.752 396 L CB -0.410 41.767 42.059 0.197 0.000 0.896 396 L HN 0.217 nan 8.230 nan 0.000 0.433 397 L N 0.191 121.577 121.223 0.271 0.000 2.083 397 L HA -0.142 4.195 4.340 -0.005 0.000 0.209 397 L C 2.639 179.669 176.870 0.267 0.000 1.083 397 L CA 1.931 56.953 54.840 0.303 0.000 0.752 397 L CB -0.725 41.580 42.059 0.411 0.000 0.899 397 L HN 0.149 nan 8.230 nan 0.000 0.433 398 A N -0.454 122.539 122.820 0.289 0.000 1.908 398 A HA -0.152 4.166 4.320 -0.005 0.000 0.218 398 A C 2.465 180.110 177.584 0.102 0.000 1.181 398 A CA 1.969 54.141 52.037 0.225 0.000 0.627 398 A CB -1.165 17.860 19.000 0.041 0.000 0.818 398 A HN 0.581 nan 8.150 nan 0.000 0.445 399 A N -0.462 122.410 122.820 0.087 0.000 1.858 399 A HA -0.197 4.120 4.320 -0.005 0.000 0.216 399 A C 2.081 179.697 177.584 0.053 0.000 1.190 399 A CA 1.798 53.868 52.037 0.056 0.000 0.617 399 A CB -0.624 18.414 19.000 0.064 0.000 0.827 399 A HN 0.657 nan 8.150 nan 0.000 0.443 400 E N -0.263 119.990 120.200 0.089 0.000 2.118 400 E HA -0.203 4.144 4.350 -0.005 0.000 0.195 400 E C 1.999 178.595 176.600 -0.006 0.000 0.992 400 E CA 1.242 57.700 56.400 0.098 0.000 0.804 400 E CB -0.214 29.597 29.700 0.186 0.000 0.741 400 E HN 0.614 nan 8.360 nan 0.000 0.458 401 L N 0.342 121.478 121.223 -0.145 0.000 2.017 401 L HA -0.194 4.144 4.340 -0.005 0.000 0.208 401 L C 2.698 179.399 176.870 -0.281 0.000 1.073 401 L CA 1.607 56.092 54.840 -0.591 0.000 0.745 401 L CB -0.200 41.640 42.059 -0.366 0.000 0.894 401 L HN 0.299 nan 8.230 nan 0.000 0.432 402 M N -0.827 118.714 119.600 -0.099 0.000 2.175 402 M HA -0.165 4.312 4.480 -0.005 0.000 0.264 402 M C 2.157 178.439 176.300 -0.030 0.000 1.063 402 M CA 1.715 56.990 55.300 -0.042 0.000 1.119 402 M CB -0.111 32.489 32.600 -0.002 0.000 1.377 402 M HN 0.449 nan 8.290 nan 0.000 0.415 403 A N 1.081 123.890 122.820 -0.017 0.000 1.829 403 A HA -0.229 4.088 4.320 -0.005 0.000 0.216 403 A C 1.995 179.583 177.584 0.006 0.000 1.207 403 A CA 2.238 54.279 52.037 0.007 0.000 0.622 403 A CB -0.838 18.179 19.000 0.028 0.000 0.846 403 A HN 0.548 nan 8.150 nan 0.000 0.447 404 K N -0.707 119.703 120.400 0.016 0.000 2.152 404 K HA -0.129 4.188 4.320 -0.005 0.000 0.206 404 K C 2.085 178.701 176.600 0.028 0.000 1.048 404 K CA 1.620 57.934 56.287 0.044 0.000 0.933 404 K CB -0.171 32.407 32.500 0.131 0.000 0.721 404 K HN 0.357 nan 8.250 nan 0.000 0.447 405 R N -0.368 120.121 120.500 -0.019 0.000 2.300 405 R HA 0.043 4.380 4.340 -0.005 0.000 0.199 405 R C 0.750 177.049 176.300 -0.000 0.000 0.920 405 R CA 0.481 56.578 56.100 -0.004 0.000 1.046 405 R CB 0.436 30.716 30.300 -0.033 0.000 0.984 405 R HN 0.351 nan 8.270 nan 0.000 0.493 406 G N 2.255 111.052 108.800 -0.004 0.000 2.305 406 G HA2 -0.335 3.623 3.960 -0.005 0.000 0.287 406 G HA3 -0.335 3.623 3.960 -0.005 0.000 0.287 406 G C -0.195 174.707 174.900 0.004 0.000 1.036 406 G CA 0.936 46.038 45.100 0.003 0.000 0.887 406 G HN 0.443 nan 8.290 nan 0.000 0.505 407 Q N -0.963 118.836 119.800 -0.002 0.000 2.352 407 Q HA 0.666 5.003 4.340 -0.005 0.000 0.270 407 Q C -0.019 175.986 176.000 0.010 0.000 1.006 407 Q CA -0.251 55.556 55.803 0.006 0.000 0.880 407 Q CB 1.369 30.112 28.738 0.008 0.000 1.392 407 Q HN 1.231 nan 8.270 nan 0.000 0.401 408 A N 4.398 127.233 122.820 0.026 0.000 2.425 408 A HA 0.368 4.685 4.320 -0.005 0.000 0.242 408 A C -1.685 175.940 177.584 0.067 0.000 1.077 408 A CA -0.773 51.289 52.037 0.041 0.000 0.781 408 A CB -0.116 18.911 19.000 0.046 0.000 1.020 408 A HN 0.784 nan 8.150 nan 0.000 0.494 409 P HA -0.207 nan 4.420 nan 0.000 0.215 409 P C 0.746 178.167 177.300 0.201 0.000 1.153 409 P CA 1.721 64.930 63.100 0.180 0.000 0.853 409 P CB -0.129 31.744 31.700 0.289 0.000 0.788 410 D N 0.496 121.000 120.400 0.173 0.000 2.219 410 D HA -0.101 4.536 4.640 -0.005 0.000 0.205 410 D C 1.773 178.187 176.300 0.190 0.000 0.970 410 D CA 1.218 55.337 54.000 0.198 0.000 0.851 410 D CB -0.695 40.189 40.800 0.140 0.000 0.943 410 D HN 0.142 nan 8.370 nan 0.000 0.488 411 A N 0.437 123.328 122.820 0.118 0.000 2.016 411 A HA 0.053 4.370 4.320 -0.005 0.000 0.217 411 A C 2.173 179.785 177.584 0.046 0.000 1.162 411 A CA 0.658 52.738 52.037 0.072 0.000 0.662 411 A CB -0.501 18.526 19.000 0.045 0.000 0.812 411 A HN 0.277 nan 8.150 nan 0.000 0.450 412 L N -1.381 119.882 121.223 0.067 0.000 2.072 412 L HA -0.069 4.269 4.340 -0.005 0.000 0.205 412 L C 2.227 179.099 176.870 0.002 0.000 1.079 412 L CA 2.244 57.097 54.840 0.023 0.000 0.752 412 L CB -1.088 41.002 42.059 0.052 0.000 0.906 412 L HN 0.522 nan 8.230 nan 0.000 0.436 413 Y N 0.486 120.779 120.300 -0.011 0.000 2.207 413 Y HA -0.228 4.319 4.550 -0.005 0.000 0.287 413 Y C 2.335 178.191 175.900 -0.074 0.000 1.156 413 Y CA 2.056 60.133 58.100 -0.039 0.000 1.182 413 Y CB -0.183 38.277 38.460 0.000 0.000 0.979 413 Y HN 0.294 nan 8.280 nan 0.000 0.521 414 E N 0.521 120.606 120.200 -0.191 0.000 2.077 414 E HA -0.210 4.137 4.350 -0.005 0.000 0.193 414 E C 2.441 178.887 176.600 -0.257 0.000 0.989 414 E CA 1.252 57.502 56.400 -0.248 0.000 0.800 414 E CB -0.719 28.954 29.700 -0.045 0.000 0.746 414 E HN 0.601 nan 8.360 nan 0.000 0.452 415 A N 0.888 123.598 122.820 -0.184 0.000 1.930 415 A HA -0.107 4.210 4.320 -0.005 0.000 0.217 415 A C 2.385 179.836 177.584 -0.223 0.000 1.175 415 A CA 0.927 52.865 52.037 -0.166 0.000 0.627 415 A CB -0.574 18.347 19.000 -0.133 0.000 0.815 415 A HN 0.167 nan 8.150 nan 0.000 0.443 416 L N -0.923 120.125 121.223 -0.290 0.000 2.056 416 L HA -0.144 4.193 4.340 -0.005 0.000 0.207 416 L C 3.098 179.796 176.870 -0.286 0.000 1.078 416 L CA 0.984 55.652 54.840 -0.287 0.000 0.749 416 L CB -0.518 41.386 42.059 -0.259 0.000 0.901 416 L HN 0.421 nan 8.230 nan 0.000 0.433 417 A N -0.472 122.066 122.820 -0.469 0.000 1.902 417 A HA -0.186 4.131 4.320 -0.005 0.000 0.217 417 A C 2.227 179.700 177.584 -0.185 0.000 1.181 417 A CA 1.414 53.218 52.037 -0.387 0.000 0.623 417 A CB -0.321 18.286 19.000 -0.655 0.000 0.818 417 A HN 0.314 nan 8.150 nan 0.000 0.443 418 E N -0.301 119.790 120.200 -0.182 0.000 2.072 418 E HA -0.166 4.181 4.350 -0.005 0.000 0.191 418 E C 2.007 178.560 176.600 -0.078 0.000 0.985 418 E CA 1.477 57.817 56.400 -0.100 0.000 0.801 418 E CB -0.213 29.433 29.700 -0.091 0.000 0.750 418 E HN 0.738 nan 8.360 nan 0.000 0.452 419 K N 0.321 120.661 120.400 -0.099 0.000 2.067 419 K HA 0.032 4.349 4.320 -0.005 0.000 0.203 419 K C 2.104 178.658 176.600 -0.076 0.000 1.048 419 K CA 0.517 56.755 56.287 -0.080 0.000 0.954 419 K CB 0.122 32.569 32.500 -0.089 0.000 0.737 419 K HN 0.027 nan 8.250 nan 0.000 0.444 420 L N -0.259 120.911 121.223 -0.090 0.000 2.477 420 L HA 0.288 4.625 4.340 -0.005 0.000 0.220 420 L C 0.456 177.265 176.870 -0.103 0.000 1.106 420 L CA 0.077 54.861 54.840 -0.093 0.000 0.851 420 L CB 0.566 42.574 42.059 -0.086 0.000 0.994 420 L HN 0.395 nan 8.230 nan 0.000 0.462 421 G N 0.947 109.732 108.800 -0.026 0.000 2.764 421 G HA2 -0.084 3.873 3.960 -0.005 0.000 0.678 421 G HA3 -0.084 3.873 3.960 -0.005 0.000 0.678 421 G C -1.156 173.940 174.900 0.327 0.000 1.341 421 G CA -0.946 44.219 45.100 0.108 0.000 0.836 421 G HN 0.069 nan 8.290 nan 0.000 0.632 422 R N 3.296 124.001 120.500 0.342 0.000 2.207 422 R HA 0.592 4.929 4.340 -0.005 0.000 0.334 422 R C -2.070 174.296 176.300 0.108 0.000 1.013 422 R CA -1.795 54.406 56.100 0.167 0.000 0.858 422 R CB 1.308 31.645 30.300 0.062 0.000 1.094 422 R HN 0.418 nan 8.270 nan 0.000 0.457 423 P HA 0.113 nan 4.420 nan 0.000 0.284 423 P C -1.532 175.599 177.300 -0.282 0.000 1.253 423 P CA -0.250 62.577 63.100 -0.456 0.000 0.800 423 P CB 0.868 32.391 31.700 -0.294 0.000 0.961 424 Y N 1.693 121.920 120.300 -0.121 0.000 2.363 424 Y HA 0.356 4.903 4.550 -0.005 0.000 0.325 424 Y C 0.046 175.950 175.900 0.007 0.000 0.984 424 Y CA -0.718 57.385 58.100 0.006 0.000 1.248 424 Y CB 1.517 39.969 38.460 -0.014 0.000 1.116 424 Y HN 0.340 nan 8.280 nan 0.000 0.470 425 Y N 2.216 122.535 120.300 0.033 0.000 2.419 425 Y HA 0.852 5.399 4.550 -0.005 0.000 0.328 425 Y C -0.350 175.546 175.900 -0.007 0.000 1.162 425 Y CA -0.688 57.408 58.100 -0.006 0.000 1.174 425 Y CB 1.333 39.813 38.460 0.032 0.000 1.228 425 Y HN 0.631 nan 8.280 nan 0.000 0.473 426 A N 4.407 127.150 122.820 -0.127 0.000 2.601 426 A HA 0.836 5.153 4.320 -0.005 0.000 0.291 426 A C -1.723 175.753 177.584 -0.180 0.000 1.075 426 A CA -1.027 50.979 52.037 -0.050 0.000 0.671 426 A CB 1.699 20.647 19.000 -0.087 0.000 1.277 426 A HN 0.852 nan 8.150 nan 0.000 0.417 427 R N 0.176 120.619 120.500 -0.094 0.000 2.594 427 R HA 0.722 5.059 4.340 -0.005 0.000 0.265 427 R C -1.201 175.004 176.300 -0.158 0.000 1.070 427 R CA -0.895 55.097 56.100 -0.180 0.000 0.909 427 R CB 1.643 31.827 30.300 -0.193 0.000 1.243 427 R HN 0.901 nan 8.270 nan 0.000 0.455 428 K N 0.912 121.196 120.400 -0.192 0.000 2.509 428 K HA 0.517 4.834 4.320 -0.005 0.000 0.266 428 K C -1.543 174.973 176.600 -0.140 0.000 0.987 428 K CA -1.164 55.040 56.287 -0.138 0.000 0.868 428 K CB 2.110 34.541 32.500 -0.115 0.000 1.421 428 K HN 0.450 nan 8.250 nan 0.000 0.444 429 D N 1.599 121.945 120.400 -0.091 0.000 2.375 429 D HA 0.347 4.985 4.640 -0.005 0.000 0.247 429 D C -0.720 175.560 176.300 -0.032 0.000 1.061 429 D CA -0.412 53.550 54.000 -0.064 0.000 0.834 429 D CB 1.768 42.541 40.800 -0.045 0.000 1.247 429 D HN 0.389 nan 8.370 nan 0.000 0.489 430 L N 3.641 124.856 121.223 -0.013 0.000 2.277 430 L HA 0.312 4.650 4.340 -0.005 0.000 0.284 430 L C -2.121 174.784 176.870 0.058 0.000 1.028 430 L CA -1.826 53.035 54.840 0.035 0.000 0.835 430 L CB 1.352 43.435 42.059 0.040 0.000 1.215 430 L HN 0.040 nan 8.230 nan 0.000 0.425 431 P HA 0.028 nan 4.420 nan 0.000 0.264 431 P C -0.720 176.611 177.300 0.052 0.000 1.193 431 P CA 0.098 63.219 63.100 0.036 0.000 0.763 431 P CB 1.188 32.899 31.700 0.018 0.000 0.810 432 V N 0.297 120.238 119.914 0.045 0.000 2.789 432 V HA 0.565 4.682 4.120 -0.005 0.000 0.311 432 V C 0.181 176.293 176.094 0.031 0.000 1.073 432 V CA -1.189 61.141 62.300 0.050 0.000 0.921 432 V CB 1.425 33.289 31.823 0.068 0.000 1.009 432 V HN 0.630 nan 8.190 nan 0.000 0.426 433 S N 2.509 118.223 115.700 0.023 0.000 2.560 433 S HA 0.271 4.739 4.470 -0.005 0.000 0.284 433 S C -1.534 173.080 174.600 0.022 0.000 1.327 433 S CA -0.265 57.944 58.200 0.016 0.000 1.055 433 S CB 0.607 63.813 63.200 0.009 0.000 0.868 433 S HN 0.743 nan 8.310 nan 0.000 0.506 434 P HA -0.191 nan 4.420 nan 0.000 0.218 434 P C 1.243 178.558 177.300 0.024 0.000 1.147 434 P CA 1.573 64.686 63.100 0.022 0.000 0.827 434 P CB 0.120 31.831 31.700 0.018 0.000 0.778 435 E N -0.866 119.347 120.200 0.022 0.000 2.086 435 E HA -0.066 4.281 4.350 -0.005 0.000 0.190 435 E C 1.992 178.609 176.600 0.029 0.000 0.975 435 E CA 0.775 57.188 56.400 0.023 0.000 0.813 435 E CB -0.442 29.269 29.700 0.018 0.000 0.768 435 E HN 0.056 nan 8.360 nan 0.000 0.457 436 A N 1.538 124.377 122.820 0.032 0.000 1.933 436 A HA -0.212 4.106 4.320 -0.005 0.000 0.218 436 A C 2.088 179.701 177.584 0.047 0.000 1.175 436 A CA 1.906 53.969 52.037 0.043 0.000 0.628 436 A CB -0.492 18.538 19.000 0.051 0.000 0.814 436 A HN 0.165 nan 8.150 nan 0.000 0.444 437 K N 0.526 120.952 120.400 0.044 0.000 2.113 437 K HA -0.104 4.213 4.320 -0.005 0.000 0.208 437 K C 1.815 178.441 176.600 0.043 0.000 1.047 437 K CA 1.966 58.280 56.287 0.045 0.000 0.928 437 K CB -0.579 31.945 32.500 0.040 0.000 0.716 437 K HN 0.347 nan 8.250 nan 0.000 0.446 438 A N 0.300 123.143 122.820 0.038 0.000 1.970 438 A HA -0.038 4.279 4.320 -0.005 0.000 0.216 438 A C 2.210 179.816 177.584 0.036 0.000 1.170 438 A CA 1.257 53.315 52.037 0.035 0.000 0.645 438 A CB -0.466 18.552 19.000 0.030 0.000 0.816 438 A HN 0.362 nan 8.150 nan 0.000 0.447 439 R N -0.822 119.701 120.500 0.038 0.000 2.115 439 R HA -0.086 4.252 4.340 -0.005 0.000 0.230 439 R C 1.968 178.295 176.300 0.045 0.000 1.111 439 R CA 1.356 57.480 56.100 0.039 0.000 0.976 439 R CB -0.309 30.016 30.300 0.041 0.000 0.870 439 R HN 0.459 nan 8.270 nan 0.000 0.445 440 L N 0.586 121.839 121.223 0.051 0.000 2.093 440 L HA -0.041 4.296 4.340 -0.005 0.000 0.208 440 L C 2.182 179.084 176.870 0.052 0.000 1.085 440 L CA 2.016 56.890 54.840 0.057 0.000 0.755 440 L CB -0.598 41.498 42.059 0.062 0.000 0.904 440 L HN 0.158 nan 8.230 nan 0.000 0.435 441 A N -0.307 122.542 122.820 0.047 0.000 1.940 441 A HA -0.222 4.096 4.320 -0.005 0.000 0.219 441 A C 2.367 179.974 177.584 0.037 0.000 1.176 441 A CA 1.932 53.994 52.037 0.043 0.000 0.631 441 A CB -0.526 18.498 19.000 0.039 0.000 0.814 441 A HN 0.560 nan 8.150 nan 0.000 0.446 442 R N -1.576 118.945 120.500 0.036 0.000 2.276 442 R HA 0.200 4.538 4.340 -0.005 0.000 0.196 442 R C 0.137 176.457 176.300 0.033 0.000 0.961 442 R CA -0.387 55.732 56.100 0.031 0.000 1.024 442 R CB -0.309 30.008 30.300 0.028 0.000 0.940 442 R HN 0.432 nan 8.270 nan 0.000 0.480 443 L N 1.595 122.843 121.223 0.041 0.000 2.514 443 L HA -0.022 4.315 4.340 -0.005 0.000 0.280 443 L C 0.127 177.023 176.870 0.043 0.000 1.223 443 L CA 0.673 55.541 54.840 0.046 0.000 0.864 443 L CB 0.783 42.877 42.059 0.057 0.000 1.118 443 L HN 0.117 nan 8.230 nan 0.000 0.494 444 S N 2.703 118.430 115.700 0.046 0.000 2.651 444 S HA 0.758 5.225 4.470 -0.005 0.000 0.279 444 S C 0.729 175.367 174.600 0.064 0.000 1.148 444 S CA -0.396 57.830 58.200 0.043 0.000 0.837 444 S CB 0.999 64.216 63.200 0.029 0.000 1.138 444 S HN 0.929 nan 8.310 nan 0.000 0.478 445 A N 1.295 124.157 122.820 0.070 0.000 1.927 445 A HA -0.183 4.134 4.320 -0.005 0.000 0.220 445 A C 1.999 179.727 177.584 0.239 0.000 1.185 445 A CA 2.233 54.352 52.037 0.137 0.000 0.639 445 A CB -1.079 18.003 19.000 0.136 0.000 0.820 445 A HN 0.886 nan 8.150 nan 0.000 0.451 446 K N -0.012 120.439 120.400 0.085 0.000 2.209 446 K HA -0.172 4.145 4.320 -0.005 0.000 0.204 446 K C 1.435 178.049 176.600 0.022 0.000 1.048 446 K CA 1.582 57.842 56.287 -0.045 0.000 0.940 446 K CB -0.134 32.326 32.500 -0.066 0.000 0.729 446 K HN 0.757 nan 8.250 nan 0.000 0.451 447 E N -0.157 120.090 120.200 0.079 0.000 2.478 447 E HA 0.009 4.357 4.350 -0.005 0.000 0.194 447 E C -0.209 176.464 176.600 0.120 0.000 1.045 447 E CA 0.135 56.582 56.400 0.079 0.000 0.868 447 E CB 0.715 30.451 29.700 0.060 0.000 0.885 447 E HN -0.022 nan 8.360 nan 0.000 0.505 448 V N 2.096 122.120 119.914 0.184 0.000 2.315 448 V HA 0.173 4.290 4.120 -0.005 0.000 0.265 448 V C -1.225 174.976 176.094 0.178 0.000 1.019 448 V CA -0.591 61.803 62.300 0.156 0.000 0.824 448 V CB 0.241 32.124 31.823 0.100 0.000 1.072 448 V HN 0.181 nan 8.190 nan 0.000 0.448 449 H N 3.859 122.949 119.070 0.034 0.000 2.380 449 H HA 0.415 4.968 4.556 -0.005 0.000 0.231 449 H C -2.162 173.187 175.328 0.035 0.000 1.415 449 H CA -1.183 54.880 56.048 0.026 0.000 1.433 449 H CB 0.999 30.771 29.762 0.017 0.000 1.544 449 H HN 0.499 nan 8.280 nan 0.000 0.503 450 P HA 0.116 nan 4.420 nan 0.000 0.277 450 P C 0.808 178.131 177.300 0.039 0.000 1.240 450 P CA -0.357 62.778 63.100 0.058 0.000 0.798 450 P CB 1.937 33.678 31.700 0.069 0.000 0.979 451 S N 0.310 116.039 115.700 0.048 0.000 2.478 451 S HA 0.062 4.529 4.470 -0.005 0.000 0.222 451 S C 0.707 175.329 174.600 0.037 0.000 1.008 451 S CA 0.399 58.624 58.200 0.043 0.000 0.928 451 S CB -0.333 62.894 63.200 0.044 0.000 0.781 451 S HN 0.569 nan 8.310 nan 0.000 0.518 452 T N 1.788 116.367 114.554 0.043 0.000 2.906 452 T HA 0.699 5.046 4.350 -0.005 0.000 0.295 452 T C -1.778 172.960 174.700 0.063 0.000 1.075 452 T CA -0.580 61.549 62.100 0.049 0.000 1.005 452 T CB 1.869 70.763 68.868 0.043 0.000 1.136 452 T HN 0.209 nan 8.240 nan 0.000 0.498 453 L N 2.117 123.385 121.223 0.075 0.000 2.441 453 L HA 0.683 5.021 4.340 -0.005 0.000 0.270 453 L C 0.307 177.215 176.870 0.064 0.000 0.973 453 L CA -0.088 54.807 54.840 0.092 0.000 0.842 453 L CB 0.812 42.955 42.059 0.140 0.000 1.239 453 L HN 0.974 nan 8.230 nan 0.000 0.406 454 A N 3.993 126.802 122.820 -0.019 0.000 2.550 454 A HA 0.125 4.442 4.320 -0.005 0.000 0.298 454 A C 1.585 179.202 177.584 0.055 0.000 1.485 454 A CA 1.614 53.586 52.037 -0.108 0.000 0.780 454 A CB -2.113 16.593 19.000 -0.490 0.000 1.045 454 A HN 2.567 nan 8.150 nan 0.000 0.423 455 G N -2.083 106.752 108.800 0.059 0.000 2.179 455 G HA2 -0.235 3.723 3.960 -0.005 0.000 0.260 455 G HA3 -0.235 3.723 3.960 -0.005 0.000 0.260 455 G C -0.145 174.812 174.900 0.095 0.000 0.977 455 G CA 0.828 45.976 45.100 0.080 0.000 0.641 455 G HN 1.150 nan 8.290 nan 0.000 0.533 456 E N 0.414 120.681 120.200 0.111 0.000 2.227 456 E HA 0.427 4.774 4.350 -0.005 0.000 0.268 456 E C -2.778 173.866 176.600 0.074 0.000 0.907 456 E CA -2.279 54.179 56.400 0.098 0.000 0.786 456 E CB 2.067 31.844 29.700 0.128 0.000 1.191 456 E HN 0.017 nan 8.360 nan 0.000 0.411 457 P HA 0.000 nan 4.420 nan 0.000 0.271 457 P C -0.602 176.723 177.300 0.042 0.000 1.233 457 P CA -0.052 63.075 63.100 0.044 0.000 0.764 457 P CB 0.431 32.153 31.700 0.036 0.000 0.825 458 V N 5.878 125.811 119.914 0.032 0.000 2.493 458 V HA -0.075 4.042 4.120 -0.005 0.000 0.292 458 V C 1.768 177.863 176.094 0.003 0.000 1.016 458 V CA 0.861 63.168 62.300 0.011 0.000 1.097 458 V CB -0.102 31.705 31.823 -0.026 0.000 0.947 458 V HN 0.555 nan 8.190 nan 0.000 0.479 459 L N 3.992 125.219 121.223 0.006 0.000 2.416 459 L HA 0.235 4.572 4.340 -0.005 0.000 0.216 459 L C 0.817 177.676 176.870 -0.017 0.000 1.098 459 L CA 0.658 55.500 54.840 0.003 0.000 0.840 459 L CB 0.005 42.073 42.059 0.015 0.000 0.981 459 L HN 0.687 nan 8.230 nan 0.000 0.462 460 Q N -1.026 118.747 119.800 -0.046 0.000 2.527 460 Q HA 0.482 4.820 4.340 -0.005 0.000 0.280 460 Q C -1.627 174.288 176.000 -0.142 0.000 0.977 460 Q CA -0.440 55.319 55.803 -0.072 0.000 0.837 460 Q CB 3.444 32.149 28.738 -0.055 0.000 1.454 460 Q HN -0.231 nan 8.270 nan 0.000 0.387 461 V N 2.428 122.242 119.914 -0.167 0.000 2.569 461 V HA 0.579 4.696 4.120 -0.005 0.000 0.301 461 V C -0.983 175.053 176.094 -0.098 0.000 1.044 461 V CA -0.535 61.629 62.300 -0.227 0.000 0.874 461 V CB 1.533 33.050 31.823 -0.510 0.000 1.002 461 V HN 0.547 nan 8.190 nan 0.000 0.424 462 L N 3.813 124.978 121.223 -0.097 0.000 2.354 462 L HA 0.769 5.106 4.340 -0.005 0.000 0.264 462 L C -0.374 176.466 176.870 -0.051 0.000 1.008 462 L CA -0.647 54.155 54.840 -0.062 0.000 0.819 462 L CB 2.392 44.400 42.059 -0.086 0.000 1.339 462 L HN 0.748 nan 8.230 nan 0.000 0.420 463 D N -1.261 119.118 120.400 -0.035 0.000 2.594 463 D HA 0.204 4.842 4.640 -0.005 0.000 0.256 463 D C -0.070 176.204 176.300 -0.045 0.000 1.393 463 D CA -0.347 53.636 54.000 -0.029 0.000 0.797 463 D CB 0.486 41.284 40.800 -0.003 0.000 1.110 463 D HN 0.342 nan 8.370 nan 0.000 0.495 464 R N 0.234 120.696 120.500 -0.064 0.000 2.698 464 R HA 0.773 5.110 4.340 -0.005 0.000 0.275 464 R C -1.048 175.182 176.300 -0.117 0.000 1.001 464 R CA -1.106 54.944 56.100 -0.084 0.000 0.896 464 R CB 2.163 32.423 30.300 -0.066 0.000 1.218 464 R HN 0.053 nan 8.270 nan 0.000 0.462 465 A N 1.108 123.835 122.820 -0.155 0.000 2.409 465 A HA 0.192 4.509 4.320 -0.005 0.000 0.262 465 A C 0.925 178.395 177.584 -0.189 0.000 1.113 465 A CA -0.195 51.724 52.037 -0.197 0.000 0.790 465 A CB 0.396 19.233 19.000 -0.270 0.000 1.046 465 A HN 0.799 nan 8.150 nan 0.000 0.496 466 T N 2.723 117.171 114.554 -0.176 0.000 2.803 466 T HA -0.129 4.218 4.350 -0.005 0.000 0.269 466 T C 1.980 176.574 174.700 -0.176 0.000 1.052 466 T CA 2.131 64.144 62.100 -0.145 0.000 1.136 466 T CB -0.151 68.647 68.868 -0.117 0.000 0.864 466 T HN 0.868 nan 8.240 nan 0.000 0.467 467 G N 1.950 110.558 108.800 -0.320 0.000 2.404 467 G HA2 -0.136 3.821 3.960 -0.005 0.000 0.213 467 G HA3 -0.136 3.821 3.960 -0.005 0.000 0.213 467 G C 1.242 175.907 174.900 -0.391 0.000 1.189 467 G CA 0.684 45.473 45.100 -0.518 0.000 0.796 467 G HN 0.711 nan 8.290 nan 0.000 0.532 468 N N -0.808 117.659 118.700 -0.389 0.000 2.205 468 N HA 0.239 4.977 4.740 -0.005 0.000 0.201 468 N C 1.511 176.966 175.510 -0.091 0.000 1.128 468 N CA 0.625 53.602 53.050 -0.121 0.000 0.867 468 N CB 0.540 38.999 38.487 -0.047 0.000 0.996 468 N HN 0.378 nan 8.380 nan 0.000 0.503 469 G N 1.050 109.774 108.800 -0.127 0.000 2.175 469 G HA2 -0.344 3.614 3.960 -0.005 0.000 0.265 469 G HA3 -0.344 3.614 3.960 -0.005 0.000 0.265 469 G C -0.178 174.671 174.900 -0.084 0.000 0.979 469 G CA 0.440 45.486 45.100 -0.090 0.000 0.663 469 G HN 0.562 nan 8.290 nan 0.000 0.533 470 E N 1.516 121.651 120.200 -0.109 0.000 2.390 470 E HA 0.294 4.642 4.350 -0.005 0.000 0.261 470 E C -1.837 174.701 176.600 -0.104 0.000 1.076 470 E CA -1.415 54.927 56.400 -0.096 0.000 0.905 470 E CB 0.809 30.436 29.700 -0.123 0.000 0.984 470 E HN 0.232 nan 8.360 nan 0.000 0.427 471 P HA -0.046 nan 4.420 nan 0.000 0.269 471 P C -0.120 177.132 177.300 -0.081 0.000 1.215 471 P CA 0.221 63.286 63.100 -0.057 0.000 0.780 471 P CB 0.528 32.212 31.700 -0.026 0.000 0.898 472 L N -1.655 119.524 121.223 -0.073 0.000 2.808 472 L HA 0.536 4.873 4.340 -0.005 0.000 0.246 472 L C 0.869 177.719 176.870 -0.035 0.000 1.153 472 L CA -0.077 54.712 54.840 -0.084 0.000 0.956 472 L CB -1.025 40.967 42.059 -0.112 0.000 1.270 472 L HN 0.558 nan 8.230 nan 0.000 0.528 473 G N -0.378 108.416 108.800 -0.009 0.000 2.434 473 G HA2 0.355 4.313 3.960 -0.005 0.000 0.224 473 G HA3 0.355 4.313 3.960 -0.005 0.000 0.224 473 G C 0.452 175.372 174.900 0.034 0.000 0.807 473 G CA 0.340 45.453 45.100 0.020 0.000 1.113 473 G HN 1.695 nan 8.290 nan 0.000 0.327 474 G N 0.396 109.220 108.800 0.039 0.000 2.525 474 G HA2 0.476 4.433 3.960 -0.005 0.000 0.685 474 G HA3 0.476 4.433 3.960 -0.005 0.000 0.685 474 G C -0.226 174.696 174.900 0.038 0.000 1.290 474 G CA -0.093 45.043 45.100 0.061 0.000 0.915 474 G HN 2.361 nan 8.290 nan 0.000 0.548 475 I N -2.649 117.950 120.570 0.049 0.000 3.002 475 I HA 0.971 5.138 4.170 -0.005 0.000 0.310 475 I C -0.488 175.603 176.117 -0.043 0.000 1.087 475 I CA -1.340 59.958 61.300 -0.003 0.000 1.017 475 I CB 2.458 40.455 38.000 -0.005 0.000 1.226 475 I HN 0.787 nan 8.210 nan 0.000 0.443 476 K N 3.191 123.521 120.400 -0.116 0.000 2.397 476 K HA 0.741 5.058 4.320 -0.005 0.000 0.253 476 K C -1.921 174.510 176.600 -0.282 0.000 0.932 476 K CA -0.704 55.483 56.287 -0.166 0.000 0.795 476 K CB 2.112 34.541 32.500 -0.119 0.000 1.159 476 K HN 0.649 nan 8.250 nan 0.000 0.424 477 V N 4.441 124.052 119.914 -0.504 0.000 2.435 477 V HA 0.432 4.549 4.120 -0.005 0.000 0.290 477 V C -0.645 175.351 176.094 -0.164 0.000 1.030 477 V CA -0.779 61.250 62.300 -0.451 0.000 0.881 477 V CB 1.615 32.971 31.823 -0.778 0.000 0.983 477 V HN 0.529 nan 8.190 nan 0.000 0.445 478 V N 3.772 123.650 119.914 -0.060 0.000 2.588 478 V HA 0.918 5.035 4.120 -0.005 0.000 0.304 478 V C 0.174 176.316 176.094 0.080 0.000 1.042 478 V CA -0.384 61.958 62.300 0.070 0.000 0.877 478 V CB 1.587 33.422 31.823 0.020 0.000 0.996 478 V HN 1.027 nan 8.190 nan 0.000 0.425 479 A N 2.904 125.818 122.820 0.157 0.000 2.437 479 A HA 0.929 5.246 4.320 -0.005 0.000 0.292 479 A C 1.146 178.819 177.584 0.148 0.000 1.173 479 A CA 0.032 52.149 52.037 0.134 0.000 0.785 479 A CB 1.391 20.486 19.000 0.157 0.000 1.351 479 A HN 1.264 nan 8.150 nan 0.000 0.431 480 A N 0.193 123.077 122.820 0.106 0.000 1.892 480 A HA -0.156 4.161 4.320 -0.005 0.000 0.218 480 A C 1.308 178.956 177.584 0.107 0.000 1.188 480 A CA 2.202 54.286 52.037 0.079 0.000 0.631 480 A CB -0.466 18.561 19.000 0.044 0.000 0.822 480 A HN 0.730 nan 8.150 nan 0.000 0.447 481 N N -1.442 117.353 118.700 0.159 0.000 2.171 481 N HA 0.421 5.158 4.740 -0.005 0.000 0.212 481 N C -0.159 175.600 175.510 0.414 0.000 1.184 481 N CA 0.872 54.070 53.050 0.246 0.000 0.888 481 N CB 1.024 39.582 38.487 0.118 0.000 1.038 481 N HN 0.506 nan 8.380 nan 0.000 0.517 482 A N 0.686 123.723 122.820 0.362 0.000 2.606 482 A HA 0.729 5.046 4.320 -0.005 0.000 0.293 482 A C -1.844 175.950 177.584 0.351 0.000 1.082 482 A CA -0.775 51.454 52.037 0.320 0.000 0.685 482 A CB 1.699 20.894 19.000 0.325 0.000 1.284 482 A HN 0.218 nan 8.150 nan 0.000 0.408 483 W N -0.460 120.948 121.300 0.180 0.000 3.005 483 W HA 0.747 5.404 4.660 -0.005 0.000 0.343 483 W C -2.326 174.298 176.519 0.175 0.000 1.243 483 W CA -1.104 56.309 57.345 0.114 0.000 1.186 483 W CB 0.799 30.304 29.460 0.075 0.000 1.453 483 W HN 1.260 nan 8.180 nan 0.000 0.575 484 F N 0.408 120.556 119.950 0.330 0.000 2.654 484 F HA 0.877 5.402 4.527 -0.005 0.000 0.308 484 F C -1.491 174.546 175.800 0.395 0.000 1.108 484 F CA -1.305 56.764 58.000 0.116 0.000 0.957 484 F CB 1.013 39.978 39.000 -0.059 0.000 1.309 484 F HN 0.785 nan 8.300 nan 0.000 0.446 485 A N 1.721 124.951 122.820 0.684 0.000 2.515 485 A HA 0.902 5.219 4.320 -0.005 0.000 0.296 485 A C -1.973 175.944 177.584 0.554 0.000 1.094 485 A CA -0.579 51.740 52.037 0.470 0.000 0.718 485 A CB 1.877 21.110 19.000 0.389 0.000 1.307 485 A HN 2.081 nan 8.150 nan 0.000 0.408 486 V N 2.006 122.152 119.914 0.387 0.000 2.697 486 V HA 0.754 4.871 4.120 -0.005 0.000 0.300 486 V C -1.150 175.086 176.094 0.237 0.000 1.115 486 V CA -0.524 61.977 62.300 0.335 0.000 0.912 486 V CB 1.574 33.567 31.823 0.284 0.000 1.024 486 V HN 1.207 nan 8.190 nan 0.000 0.431 487 R N 6.161 126.814 120.500 0.255 0.000 2.795 487 R HA 0.729 5.066 4.340 -0.005 0.000 0.275 487 R C -3.072 173.321 176.300 0.156 0.000 0.981 487 R CA -2.057 54.151 56.100 0.180 0.000 0.917 487 R CB 2.211 32.611 30.300 0.168 0.000 1.202 487 R HN 0.458 nan 8.270 nan 0.000 0.469 488 P HA -0.021 nan 4.420 nan 0.000 0.275 488 P C -0.497 176.857 177.300 0.091 0.000 1.227 488 P CA -0.190 62.964 63.100 0.090 0.000 0.781 488 P CB 1.460 33.203 31.700 0.072 0.000 0.906 489 S N 2.144 117.889 115.700 0.076 0.000 2.430 489 S HA 0.256 4.723 4.470 -0.005 0.000 0.282 489 S C 1.769 176.402 174.600 0.056 0.000 1.186 489 S CA -0.197 58.044 58.200 0.068 0.000 1.060 489 S CB -0.917 62.313 63.200 0.050 0.000 0.966 489 S HN 0.576 nan 8.310 nan 0.000 0.501 490 G N 3.457 112.292 108.800 0.058 0.000 2.740 490 G HA2 -0.043 3.914 3.960 -0.005 0.000 0.208 490 G HA3 -0.043 3.914 3.960 -0.005 0.000 0.208 490 G C 1.109 176.031 174.900 0.037 0.000 1.148 490 G CA 0.970 46.098 45.100 0.048 0.000 0.795 490 G HN 0.835 nan 8.290 nan 0.000 0.526 491 T N -2.341 112.232 114.554 0.032 0.000 3.221 491 T HA 0.202 4.549 4.350 -0.005 0.000 0.250 491 T C 0.754 175.468 174.700 0.023 0.000 0.988 491 T CA 0.300 62.413 62.100 0.023 0.000 1.163 491 T CB 0.301 69.177 68.868 0.012 0.000 1.098 491 T HN 0.430 nan 8.240 nan 0.000 0.422 492 E N 1.238 121.452 120.200 0.024 0.000 2.235 492 E HA 0.477 4.825 4.350 -0.005 0.000 0.265 492 E C -1.580 175.036 176.600 0.027 0.000 0.940 492 E CA -0.883 55.530 56.400 0.022 0.000 0.819 492 E CB 1.046 30.756 29.700 0.016 0.000 1.206 492 E HN 0.026 nan 8.360 nan 0.000 0.409 493 D N 1.155 121.570 120.400 0.025 0.000 2.541 493 D HA 0.201 4.839 4.640 -0.005 0.000 0.231 493 D C -0.952 175.366 176.300 0.031 0.000 1.163 493 D CA 0.425 54.442 54.000 0.029 0.000 1.077 493 D CB 0.567 41.382 40.800 0.026 0.000 1.110 493 D HN 0.257 nan 8.370 nan 0.000 0.499 494 V N 0.408 120.343 119.914 0.035 0.000 3.178 494 V HA 0.755 4.872 4.120 -0.005 0.000 0.302 494 V C -1.496 174.623 176.094 0.041 0.000 1.262 494 V CA -0.982 61.339 62.300 0.034 0.000 1.030 494 V CB 2.172 34.008 31.823 0.021 0.000 1.074 494 V HN 0.290 nan 8.190 nan 0.000 0.438 495 A N 4.384 127.228 122.820 0.039 0.000 2.276 495 A HA 0.706 5.023 4.320 -0.005 0.000 0.316 495 A C -0.303 177.294 177.584 0.021 0.000 1.229 495 A CA -0.583 51.480 52.037 0.044 0.000 0.851 495 A CB 0.468 19.491 19.000 0.038 0.000 1.165 495 A HN 0.771 nan 8.150 nan 0.000 0.513 496 K N 2.058 122.489 120.400 0.052 0.000 2.263 496 K HA 0.365 4.683 4.320 -0.005 0.000 0.282 496 K C -0.660 175.942 176.600 0.004 0.000 1.089 496 K CA -0.205 56.074 56.287 -0.013 0.000 0.907 496 K CB 1.464 34.006 32.500 0.069 0.000 1.148 496 K HN 0.460 nan 8.250 nan 0.000 0.470 497 V N 5.206 125.044 119.914 -0.127 0.000 2.435 497 V HA 0.428 4.545 4.120 -0.005 0.000 0.290 497 V C -1.429 174.544 176.094 -0.201 0.000 1.030 497 V CA -0.479 61.801 62.300 -0.033 0.000 0.881 497 V CB 0.405 32.175 31.823 -0.089 0.000 0.983 497 V HN 0.577 nan 8.190 nan 0.000 0.445 498 Y N 4.667 124.996 120.300 0.047 0.000 2.468 498 Y HA 0.868 5.415 4.550 -0.005 0.000 0.342 498 Y C 0.334 176.061 175.900 -0.290 0.000 1.021 498 Y CA -0.285 57.771 58.100 -0.073 0.000 1.079 498 Y CB 2.342 40.902 38.460 0.166 0.000 1.226 498 Y HN 0.931 nan 8.280 nan 0.000 0.460 499 A N 2.084 124.569 122.820 -0.558 0.000 2.574 499 A HA 0.710 5.027 4.320 -0.005 0.000 0.297 499 A C -1.517 175.446 177.584 -1.035 0.000 1.062 499 A CA -0.661 50.939 52.037 -0.729 0.000 0.686 499 A CB 2.198 20.961 19.000 -0.395 0.000 1.285 499 A HN 0.762 nan 8.150 nan 0.000 0.403 500 E N 0.164 119.689 120.200 -1.125 0.000 2.413 500 E HA 0.733 5.080 4.350 -0.005 0.000 0.277 500 E C -1.305 175.042 176.600 -0.421 0.000 0.958 500 E CA -0.400 55.556 56.400 -0.740 0.000 0.779 500 E CB 2.112 31.422 29.700 -0.649 0.000 1.278 500 E HN 0.998 nan 8.360 nan 0.000 0.456 501 S N 1.886 117.466 115.700 -0.200 0.000 2.543 501 S HA 0.415 4.883 4.470 -0.005 0.000 0.274 501 S C -1.412 173.151 174.600 -0.063 0.000 1.149 501 S CA -0.558 57.639 58.200 -0.005 0.000 0.866 501 S CB 0.596 63.898 63.200 0.171 0.000 1.111 501 S HN 0.474 nan 8.310 nan 0.000 0.457 502 F N 2.877 122.918 119.950 0.152 0.000 2.647 502 F HA 0.466 4.990 4.527 -0.005 0.000 0.300 502 F C 1.017 176.854 175.800 0.062 0.000 1.106 502 F CA -0.031 58.071 58.000 0.170 0.000 1.313 502 F CB 0.497 39.566 39.000 0.115 0.000 1.007 502 F HN 0.441 nan 8.300 nan 0.000 0.536 503 L N -0.621 120.616 121.223 0.022 0.000 2.766 503 L HA 0.523 4.860 4.340 -0.005 0.000 0.242 503 L C 0.811 177.546 176.870 -0.224 0.000 1.136 503 L CA 0.093 54.843 54.840 -0.149 0.000 0.933 503 L CB 0.270 42.028 42.059 -0.501 0.000 1.241 503 L HN 0.207 nan 8.230 nan 0.000 0.522 504 G N 0.140 108.633 108.800 -0.512 0.000 2.381 504 G HA2 -0.144 3.813 3.960 -0.005 0.000 0.672 504 G HA3 -0.144 3.813 3.960 -0.005 0.000 0.672 504 G C -0.089 174.339 174.900 -0.786 0.000 1.324 504 G CA -0.527 43.964 45.100 -1.015 0.000 0.975 504 G HN 0.049 nan 8.290 nan 0.000 0.593 505 E N -0.247 119.562 120.200 -0.652 0.000 2.110 505 E HA -0.030 4.318 4.350 -0.005 0.000 0.193 505 E C 2.905 179.423 176.600 -0.138 0.000 0.988 505 E CA 1.742 57.995 56.400 -0.244 0.000 0.804 505 E CB -0.111 29.538 29.700 -0.086 0.000 0.745 505 E HN 0.766 nan 8.360 nan 0.000 0.458 506 A N 0.630 123.378 122.820 -0.120 0.000 1.877 506 A HA -0.254 4.064 4.320 -0.005 0.000 0.216 506 A C 1.930 179.480 177.584 -0.056 0.000 1.186 506 A CA 2.008 54.004 52.037 -0.068 0.000 0.620 506 A CB -0.799 18.174 19.000 -0.046 0.000 0.822 506 A HN 0.332 nan 8.150 nan 0.000 0.443 507 H N -0.818 118.171 119.070 -0.135 0.000 2.353 507 H HA -0.098 4.455 4.556 -0.005 0.000 0.300 507 H C 1.803 177.066 175.328 -0.108 0.000 1.090 507 H CA 1.748 57.733 56.048 -0.104 0.000 1.327 507 H CB -0.201 29.502 29.762 -0.098 0.000 1.383 507 H HN 0.316 nan 8.280 nan 0.000 0.508 508 L N 0.789 121.979 121.223 -0.056 0.000 2.079 508 L HA -0.156 4.181 4.340 -0.005 0.000 0.210 508 L C 1.902 178.680 176.870 -0.154 0.000 1.081 508 L CA 1.830 56.609 54.840 -0.101 0.000 0.752 508 L CB -0.534 41.489 42.059 -0.061 0.000 0.896 508 L HN 0.339 nan 8.230 nan 0.000 0.433 509 E N -0.426 119.693 120.200 -0.134 0.000 2.106 509 E HA -0.237 4.110 4.350 -0.005 0.000 0.192 509 E C 2.340 178.842 176.600 -0.164 0.000 0.984 509 E CA 0.954 57.276 56.400 -0.131 0.000 0.806 509 E CB -0.238 29.405 29.700 -0.096 0.000 0.750 509 E HN 0.524 nan 8.360 nan 0.000 0.458 510 R N 0.746 121.129 120.500 -0.196 0.000 2.096 510 R HA -0.105 4.232 4.340 -0.005 0.000 0.235 510 R C 2.274 178.425 176.300 -0.247 0.000 1.127 510 R CA 0.958 56.928 56.100 -0.218 0.000 0.968 510 R CB 0.038 30.176 30.300 -0.270 0.000 0.861 510 R HN -0.012 nan 8.270 nan 0.000 0.440 511 V N 0.876 120.615 119.914 -0.292 0.000 2.379 511 V HA -0.202 3.916 4.120 -0.005 0.000 0.245 511 V C 2.262 178.181 176.094 -0.291 0.000 1.044 511 V CA 1.408 63.560 62.300 -0.248 0.000 1.036 511 V CB -0.290 31.411 31.823 -0.203 0.000 0.664 511 V HN 0.319 nan 8.190 nan 0.000 0.453 512 L N -0.295 120.767 121.223 -0.269 0.000 2.046 512 L HA -0.181 4.156 4.340 -0.005 0.000 0.208 512 L C 2.604 179.308 176.870 -0.278 0.000 1.077 512 L CA 1.639 56.306 54.840 -0.289 0.000 0.747 512 L CB -0.507 41.423 42.059 -0.214 0.000 0.896 512 L HN 0.406 nan 8.230 nan 0.000 0.432 513 E N -0.033 120.040 120.200 -0.212 0.000 2.023 513 E HA -0.267 4.081 4.350 -0.005 0.000 0.196 513 E C 2.061 178.546 176.600 -0.192 0.000 1.003 513 E CA 1.505 57.804 56.400 -0.168 0.000 0.809 513 E CB -0.177 29.448 29.700 -0.125 0.000 0.755 513 E HN 0.505 nan 8.360 nan 0.000 0.449 514 E N 0.649 120.731 120.200 -0.197 0.000 2.118 514 E HA -0.225 4.122 4.350 -0.005 0.000 0.195 514 E C 2.053 178.477 176.600 -0.295 0.000 0.992 514 E CA 0.944 57.239 56.400 -0.176 0.000 0.804 514 E CB -0.153 29.478 29.700 -0.115 0.000 0.741 514 E HN 0.255 nan 8.360 nan 0.000 0.458 515 A N 0.807 123.290 122.820 -0.561 0.000 1.858 515 A HA -0.203 4.114 4.320 -0.005 0.000 0.216 515 A C 2.412 179.666 177.584 -0.550 0.000 1.190 515 A CA 2.034 53.459 52.037 -1.019 0.000 0.617 515 A CB -1.012 17.130 19.000 -1.429 0.000 0.827 515 A HN 0.195 nan 8.150 nan 0.000 0.443 516 T N 0.492 114.796 114.554 -0.417 0.000 2.652 516 T HA -0.082 4.265 4.350 -0.005 0.000 0.267 516 T C 2.223 176.727 174.700 -0.328 0.000 1.039 516 T CA 1.969 63.850 62.100 -0.365 0.000 1.153 516 T CB -0.705 68.025 68.868 -0.230 0.000 0.863 516 T HN 0.646 nan 8.240 nan 0.000 0.428 517 A N 1.623 124.337 122.820 -0.177 0.000 1.848 517 A HA -0.127 4.190 4.320 -0.005 0.000 0.217 517 A C 2.336 179.881 177.584 -0.064 0.000 1.220 517 A CA 1.839 53.835 52.037 -0.069 0.000 0.645 517 A CB -1.281 17.688 19.000 -0.052 0.000 0.842 517 A HN 0.474 nan 8.150 nan 0.000 0.451 518 L N -0.769 120.414 121.223 -0.066 0.000 2.064 518 L HA -0.248 4.089 4.340 -0.005 0.000 0.216 518 L C 2.647 179.513 176.870 -0.006 0.000 1.077 518 L CA 1.368 56.208 54.840 -0.001 0.000 0.766 518 L CB -0.587 41.510 42.059 0.063 0.000 0.890 518 L HN 0.489 nan 8.230 nan 0.000 0.435 519 L N -0.632 120.529 121.223 -0.103 0.000 2.042 519 L HA -0.260 4.077 4.340 -0.005 0.000 0.210 519 L C 2.701 179.522 176.870 -0.082 0.000 1.076 519 L CA 2.042 56.809 54.840 -0.122 0.000 0.749 519 L CB -1.067 40.828 42.059 -0.273 0.000 0.893 519 L HN 0.412 nan 8.230 nan 0.000 0.432 520 H N -0.372 118.699 119.070 0.001 0.000 2.428 520 H HA -0.048 4.505 4.556 -0.005 0.000 0.296 520 H C 2.222 177.557 175.328 0.012 0.000 1.062 520 H CA 0.600 56.650 56.048 0.003 0.000 1.350 520 H CB 0.140 29.896 29.762 -0.010 0.000 1.403 520 H HN 0.175 nan 8.280 nan 0.000 0.533 521 K N 0.971 121.444 120.400 0.121 0.000 2.057 521 K HA -0.008 4.310 4.320 -0.005 0.000 0.207 521 K C 2.138 178.781 176.600 0.072 0.000 1.049 521 K CA 1.044 57.379 56.287 0.081 0.000 0.931 521 K CB -0.227 32.309 32.500 0.060 0.000 0.714 521 K HN 0.251 nan 8.250 nan 0.000 0.440 522 A N 0.513 123.376 122.820 0.072 0.000 2.014 522 A HA -0.012 4.305 4.320 -0.005 0.000 0.218 522 A C 1.818 179.442 177.584 0.067 0.000 1.163 522 A CA 0.787 52.864 52.037 0.067 0.000 0.652 522 A CB -0.179 18.864 19.000 0.072 0.000 0.808 522 A HN 0.224 nan 8.150 nan 0.000 0.449 523 L N -0.473 120.799 121.223 0.082 0.000 2.685 523 L HA 0.312 4.649 4.340 -0.005 0.000 0.233 523 L C 1.071 177.984 176.870 0.072 0.000 1.173 523 L CA -0.206 54.683 54.840 0.082 0.000 0.961 523 L CB -0.415 41.708 42.059 0.107 0.000 1.217 523 L HN 0.382 nan 8.230 nan 0.000 0.478 524 A N 0.000 122.858 122.820 0.063 0.000 2.254 524 A HA 0.000 4.317 4.320 -0.005 0.000 0.244 524 A CA 0.000 52.063 52.037 0.043 0.000 0.836 524 A CB 0.000 19.025 19.000 0.041 0.000 0.831 524 A HN 0.000 nan 8.150 nan 0.000 0.486