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 1gjq_1_B DATA FIRST_RESID 5 DATA SEQUENCE KAAEQYQGAA SAVDPAHVVR TNGAPDMSES EFNEAKQIYF QRCAGCHGVL DATA SEQUENCE RKGATGKPLT PDITQQRGQQ YLEALITYGT PLGMPNWGSS GELSKEQITL DATA SEQUENCE MAKYIQHTPP QPPEWGMPEM RESWKVLVKP EDRPKKQLND LDLPNLFSVT DATA SEQUENCE LRDAGQIALV DGDSKKIVKV IDTGYAVHIS RMSASGRYLL VIGRDARIDM DATA SEQUENCE IDLWAKEPTK VAEIKIGIEA RSVESSKFKG YEDRYTIAGA YWPPQFAIMD DATA SEQUENCE GETLEPKQIV STRGMTVDTQ TYHPEPRVAA IIASHEHPEF IVNVKETGKV DATA SEQUENCE LLVNYKDIDN LTVTSIGAAP FLHDGGWDSS HRYFMTAANN SNKVAVIDSK DATA SEQUENCE DRRLSALVDV GKTPHPGRGA NFVHPKYGPV WSTSHLGDGS ISLIGTDPKN DATA SEQUENCE HPQYAWKKVA ELQGQGGGSL FIKTHPKSSH LYVDTTFNPD ARISQSVAVF DATA SEQUENCE DLKNLDAKYQ VLPIAEWADL GEGAKRVVQP EYNKRGDEVW FSVWNGKNDS DATA SEQUENCE SALVVVDDKT LKLKAVVKDP RLITPTGKFN VYNTQHDVY 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.613 176.600 0.022 0.000 0.988 5 K CA 0.000 56.296 56.287 0.015 0.000 0.838 5 K CB 0.000 32.506 32.500 0.010 0.000 1.064 6 A N 1.414 124.241 122.820 0.012 0.000 1.897 6 A HA 0.102 4.423 4.320 0.000 0.000 0.215 6 A C 2.170 179.777 177.584 0.039 0.000 1.181 6 A CA 1.822 53.864 52.037 0.008 0.000 0.620 6 A CB -0.391 18.592 19.000 -0.028 0.000 0.821 6 A HN 0.263 nan 8.150 nan 0.000 0.443 7 A N -0.461 122.379 122.820 0.035 0.000 2.168 7 A HA -0.001 4.319 4.320 0.000 0.000 0.215 7 A C 1.761 179.442 177.584 0.162 0.000 1.152 7 A CA 1.227 53.328 52.037 0.106 0.000 0.716 7 A CB -0.330 18.704 19.000 0.056 0.000 0.794 7 A HN 0.640 nan 8.150 nan 0.000 0.465 8 E N -1.067 119.190 120.200 0.094 0.000 2.190 8 E HA -0.104 4.246 4.350 0.000 0.000 0.191 8 E C 2.001 178.641 176.600 0.067 0.000 0.978 8 E CA 0.676 57.117 56.400 0.068 0.000 0.839 8 E CB -0.031 29.693 29.700 0.039 0.000 0.787 8 E HN 0.737 nan 8.360 nan 0.000 0.473 9 Q N -0.220 119.629 119.800 0.082 0.000 2.331 9 Q HA -0.112 4.228 4.340 0.000 0.000 0.203 9 Q C 1.735 177.798 176.000 0.106 0.000 0.944 9 Q CA 0.454 56.299 55.803 0.070 0.000 0.892 9 Q CB 0.147 28.920 28.738 0.059 0.000 0.983 9 Q HN 0.293 nan 8.270 nan 0.000 0.482 10 Y N 0.942 121.239 120.300 -0.005 0.000 2.242 10 Y HA -0.113 4.437 4.550 0.001 0.000 0.291 10 Y C 0.987 176.883 175.900 -0.006 0.000 1.137 10 Y CA 1.536 59.633 58.100 -0.006 0.000 1.181 10 Y CB 0.292 38.748 38.460 -0.006 0.000 0.989 10 Y HN 0.053 nan 8.280 nan 0.000 0.527 11 Q N -0.541 119.208 119.800 -0.085 0.000 2.201 11 Q HA 0.238 4.578 4.340 0.000 0.000 0.236 11 Q C 1.629 177.582 176.000 -0.079 0.000 0.857 11 Q CA 0.244 55.940 55.803 -0.178 0.000 1.025 11 Q CB 0.622 29.293 28.738 -0.112 0.000 1.124 11 Q HN 0.552 nan 8.270 nan 0.000 0.473 12 G N 0.427 109.199 108.800 -0.046 0.000 2.551 12 G HA2 0.120 4.080 3.960 0.000 0.000 0.216 12 G HA3 0.120 4.080 3.960 0.000 0.000 0.216 12 G C 0.678 175.558 174.900 -0.033 0.000 1.137 12 G CA 0.356 45.442 45.100 -0.024 0.000 0.798 12 G HN 0.422 nan 8.290 nan 0.000 0.536 13 A N 0.299 123.089 122.820 -0.049 0.000 2.406 13 A HA 0.667 4.987 4.320 0.000 0.000 0.243 13 A C 0.843 178.401 177.584 -0.043 0.000 1.082 13 A CA 0.294 52.305 52.037 -0.043 0.000 0.786 13 A CB 0.191 19.160 19.000 -0.051 0.000 1.029 13 A HN 0.968 nan 8.150 nan 0.000 0.495 14 A N 1.068 123.869 122.820 -0.032 0.000 2.407 14 A HA 0.494 4.815 4.320 0.000 0.000 0.248 14 A C 0.877 178.442 177.584 -0.031 0.000 1.082 14 A CA 0.475 52.495 52.037 -0.028 0.000 0.785 14 A CB -0.096 18.892 19.000 -0.020 0.000 1.020 14 A HN 1.432 nan 8.150 nan 0.000 0.489 15 S N 0.795 116.478 115.700 -0.028 0.000 2.572 15 S HA 0.340 4.810 4.470 0.000 0.000 0.279 15 S C 1.282 175.870 174.600 -0.020 0.000 1.341 15 S CA 0.002 58.185 58.200 -0.028 0.000 1.043 15 S CB 0.673 63.859 63.200 -0.024 0.000 0.887 15 S HN 1.453 nan 8.310 nan 0.000 0.516 16 A N 4.204 127.012 122.820 -0.021 0.000 2.206 16 A HA 0.235 4.555 4.320 0.000 0.000 0.211 16 A C 0.615 178.198 177.584 -0.002 0.000 1.158 16 A CA 0.110 52.139 52.037 -0.013 0.000 0.761 16 A CB -0.322 18.667 19.000 -0.019 0.000 0.801 16 A HN 0.674 nan 8.150 nan 0.000 0.473 17 V N 1.940 121.853 119.914 -0.002 0.000 2.521 17 V HA 0.059 4.179 4.120 0.000 0.000 0.286 17 V C 0.043 176.157 176.094 0.032 0.000 1.034 17 V CA -0.537 61.771 62.300 0.013 0.000 1.045 17 V CB 0.833 32.658 31.823 0.004 0.000 0.974 17 V HN 0.379 nan 8.190 nan 0.000 0.480 18 D N 8.288 128.735 120.400 0.077 0.000 2.339 18 D HA 0.144 4.784 4.640 0.000 0.000 0.256 18 D C -0.968 175.364 176.300 0.053 0.000 1.214 18 D CA -1.917 52.138 54.000 0.092 0.000 0.877 18 D CB 1.765 42.709 40.800 0.241 0.000 1.111 18 D HN 0.289 nan 8.370 nan 0.000 0.478 19 P HA -0.154 nan 4.420 nan 0.000 0.219 19 P C 0.936 178.207 177.300 -0.047 0.000 1.146 19 P CA 0.733 63.824 63.100 -0.016 0.000 0.808 19 P CB 0.240 31.926 31.700 -0.023 0.000 0.779 20 A N -0.275 122.479 122.820 -0.110 0.000 2.015 20 A HA -0.174 4.146 4.320 0.000 0.000 0.219 20 A C 1.759 179.189 177.584 -0.256 0.000 1.163 20 A CA 1.301 53.212 52.037 -0.210 0.000 0.646 20 A CB -1.634 17.178 19.000 -0.314 0.000 0.806 20 A HN 0.300 nan 8.150 nan 0.000 0.448 21 H N -1.577 117.485 119.070 -0.014 0.000 2.548 21 H HA 0.250 4.806 4.556 0.000 0.000 0.265 21 H C -0.306 175.013 175.328 -0.015 0.000 0.969 21 H CA 0.129 56.168 56.048 -0.014 0.000 1.155 21 H CB 0.381 30.134 29.762 -0.014 0.000 1.394 21 H HN 0.222 nan 8.280 nan 0.000 0.570 22 V N 3.200 123.151 119.914 0.062 0.000 2.353 22 V HA 0.117 4.237 4.120 0.000 0.000 0.264 22 V C 0.202 176.302 176.094 0.010 0.000 1.049 22 V CA -0.818 61.502 62.300 0.032 0.000 0.896 22 V CB 0.668 32.501 31.823 0.017 0.000 1.025 22 V HN 0.092 nan 8.190 nan 0.000 0.475 23 V N 2.695 122.616 119.914 0.011 0.000 2.481 23 V HA 0.583 4.703 4.120 0.000 0.000 0.286 23 V C 0.242 176.331 176.094 -0.009 0.000 1.042 23 V CA -1.041 61.258 62.300 -0.002 0.000 0.928 23 V CB 1.293 33.117 31.823 0.001 0.000 0.986 23 V HN 0.862 nan 8.190 nan 0.000 0.462 24 R N 2.728 123.219 120.500 -0.016 0.000 2.347 24 R HA 0.350 4.690 4.340 0.000 0.000 0.304 24 R C -0.357 175.928 176.300 -0.025 0.000 1.072 24 R CA -0.134 55.955 56.100 -0.019 0.000 0.980 24 R CB 0.627 30.913 30.300 -0.023 0.000 0.986 24 R HN 0.939 nan 8.270 nan 0.000 0.448 25 T N 4.803 119.342 114.554 -0.025 0.000 2.727 25 T HA 0.320 4.671 4.350 0.000 0.000 0.298 25 T C -0.412 174.261 174.700 -0.046 0.000 0.942 25 T CA -0.552 61.527 62.100 -0.034 0.000 0.997 25 T CB 0.324 69.174 68.868 -0.029 0.000 0.917 25 T HN 0.585 nan 8.240 nan 0.000 0.487 26 N N 0.648 119.312 118.700 -0.061 0.000 3.465 26 N HA 0.481 5.221 4.740 0.000 0.000 0.244 26 N C 0.123 175.579 175.510 -0.090 0.000 1.454 26 N CA 0.369 53.368 53.050 -0.083 0.000 0.865 26 N CB 1.292 39.740 38.487 -0.064 0.000 1.439 26 N HN 0.756 nan 8.380 nan 0.000 0.480 27 G N -0.827 107.909 108.800 -0.105 0.000 2.145 27 G HA2 0.226 4.186 3.960 0.000 0.000 0.145 27 G HA3 0.226 4.186 3.960 0.000 0.000 0.145 27 G C -0.191 174.633 174.900 -0.126 0.000 1.017 27 G CA 0.250 45.295 45.100 -0.091 0.000 0.682 27 G HN 0.806 nan 8.290 nan 0.000 0.504 28 A N 0.674 123.366 122.820 -0.213 0.000 2.304 28 A HA 0.848 5.168 4.320 0.000 0.000 0.301 28 A C -1.576 175.876 177.584 -0.219 0.000 1.132 28 A CA -1.284 50.551 52.037 -0.337 0.000 0.819 28 A CB 0.565 19.070 19.000 -0.826 0.000 1.094 28 A HN 0.231 nan 8.150 nan 0.000 0.492 29 P HA 0.080 nan 4.420 nan 0.000 0.267 29 P C -0.862 176.532 177.300 0.157 0.000 1.209 29 P CA -0.121 63.000 63.100 0.035 0.000 0.763 29 P CB 0.398 32.136 31.700 0.063 0.000 0.816 30 D N 4.458 124.927 120.400 0.115 0.000 2.531 30 D HA 0.062 4.702 4.640 0.000 0.000 0.239 30 D C 0.678 177.074 176.300 0.159 0.000 1.144 30 D CA 1.069 55.154 54.000 0.141 0.000 0.869 30 D CB 0.309 41.154 40.800 0.076 0.000 1.160 30 D HN 0.400 nan 8.370 nan 0.000 0.484 31 M N -0.566 119.137 119.600 0.172 0.000 2.322 31 M HA 0.330 4.811 4.480 0.000 0.000 0.286 31 M C -0.273 176.081 176.300 0.090 0.000 1.111 31 M CA -0.970 54.410 55.300 0.133 0.000 0.941 31 M CB 2.093 34.792 32.600 0.166 0.000 1.671 31 M HN 0.173 nan 8.290 nan 0.000 0.470 32 S N 0.805 116.548 115.700 0.071 0.000 2.606 32 S HA 0.128 4.599 4.470 0.000 0.000 0.257 32 S C 0.754 175.392 174.600 0.062 0.000 1.327 32 S CA 0.328 58.556 58.200 0.047 0.000 0.984 32 S CB 1.130 64.353 63.200 0.037 0.000 0.941 32 S HN 0.958 nan 8.310 nan 0.000 0.576 33 E N 0.173 120.394 120.200 0.034 0.000 2.110 33 E HA -0.152 4.198 4.350 0.000 0.000 0.193 33 E C 2.077 178.729 176.600 0.087 0.000 0.988 33 E CA 1.201 57.629 56.400 0.046 0.000 0.804 33 E CB -0.302 29.405 29.700 0.012 0.000 0.745 33 E HN 0.687 nan 8.360 nan 0.000 0.458 34 S N -0.077 115.658 115.700 0.059 0.000 2.368 34 S HA -0.157 4.313 4.470 0.000 0.000 0.224 34 S C 1.695 176.325 174.600 0.050 0.000 1.029 34 S CA 1.290 59.517 58.200 0.046 0.000 0.988 34 S CB -0.126 63.091 63.200 0.028 0.000 0.838 34 S HN 0.304 nan 8.310 nan 0.000 0.462 35 E N -0.547 119.692 120.200 0.064 0.000 2.072 35 E HA -0.078 4.272 4.350 0.000 0.000 0.190 35 E C 1.736 178.374 176.600 0.064 0.000 0.982 35 E CA 1.088 57.520 56.400 0.053 0.000 0.803 35 E CB -0.242 29.497 29.700 0.064 0.000 0.755 35 E HN 0.632 nan 8.360 nan 0.000 0.453 36 F N 2.262 122.192 119.950 -0.033 0.000 2.146 36 F HA -0.125 4.402 4.527 0.000 0.000 0.298 36 F C 1.885 177.662 175.800 -0.037 0.000 1.096 36 F CA 1.153 59.139 58.000 -0.024 0.000 1.275 36 F CB 0.064 39.038 39.000 -0.044 0.000 1.008 36 F HN -0.079 nan 8.300 nan 0.000 0.480 37 N N 0.414 119.216 118.700 0.170 0.000 2.244 37 N HA -0.185 4.555 4.740 0.000 0.000 0.183 37 N C 1.868 177.341 175.510 -0.062 0.000 1.016 37 N CA 1.266 54.359 53.050 0.071 0.000 0.866 37 N CB -0.512 38.032 38.487 0.094 0.000 0.980 37 N HN 0.510 nan 8.380 nan 0.000 0.430 38 E N 0.679 120.834 120.200 -0.075 0.000 2.072 38 E HA -0.063 4.287 4.350 0.000 0.000 0.191 38 E C 1.741 178.217 176.600 -0.207 0.000 0.985 38 E CA 0.872 57.208 56.400 -0.106 0.000 0.801 38 E CB 0.063 29.719 29.700 -0.074 0.000 0.750 38 E HN 0.297 nan 8.360 nan 0.000 0.452 39 A N 1.481 124.113 122.820 -0.314 0.000 1.898 39 A HA -0.182 4.138 4.320 0.000 0.000 0.216 39 A C 2.099 179.172 177.584 -0.851 0.000 1.181 39 A CA 1.583 53.299 52.037 -0.535 0.000 0.620 39 A CB -0.415 18.248 19.000 -0.562 0.000 0.819 39 A HN 0.156 nan 8.150 nan 0.000 0.442 40 K N -0.581 119.288 120.400 -0.886 0.000 2.147 40 K HA -0.196 4.125 4.320 0.000 0.000 0.205 40 K C 2.239 178.772 176.600 -0.112 0.000 1.049 40 K CA 1.580 57.487 56.287 -0.632 0.000 0.936 40 K CB -0.144 32.214 32.500 -0.237 0.000 0.722 40 K HN 0.645 nan 8.250 nan 0.000 0.446 41 Q N 0.451 120.175 119.800 -0.128 0.000 2.079 41 Q HA -0.105 4.235 4.340 0.000 0.000 0.200 41 Q C 2.030 177.989 176.000 -0.068 0.000 0.974 41 Q CA 1.368 57.152 55.803 -0.032 0.000 0.840 41 Q CB 0.014 28.719 28.738 -0.055 0.000 0.898 41 Q HN 0.365 nan 8.270 nan 0.000 0.430 42 I N -0.092 120.370 120.570 -0.179 0.000 2.286 42 I HA -0.278 3.892 4.170 0.000 0.000 0.248 42 I C 2.094 178.038 176.117 -0.289 0.000 1.115 42 I CA 0.987 62.147 61.300 -0.234 0.000 1.392 42 I CB -0.326 37.504 38.000 -0.282 0.000 1.065 42 I HN 0.306 nan 8.210 nan 0.000 0.418 43 Y N 1.276 121.332 120.300 -0.405 0.000 2.097 43 Y HA -0.295 4.255 4.550 0.000 0.000 0.282 43 Y C 2.142 177.777 175.900 -0.443 0.000 1.152 43 Y CA 1.816 59.636 58.100 -0.468 0.000 1.136 43 Y CB -0.460 37.640 38.460 -0.600 0.000 0.975 43 Y HN 0.001 nan 8.280 nan 0.000 0.498 44 F N -0.144 119.717 119.950 -0.149 0.000 2.456 44 F HA -0.093 4.434 4.527 0.000 0.000 0.298 44 F C 2.374 178.095 175.800 -0.132 0.000 1.104 44 F CA 1.153 59.079 58.000 -0.124 0.000 1.435 44 F CB -0.369 38.630 39.000 -0.001 0.000 1.078 44 F HN 0.120 nan 8.300 nan 0.000 0.546 45 Q N -0.555 119.231 119.800 -0.024 0.000 2.163 45 Q HA -0.006 4.334 4.340 0.000 0.000 0.198 45 Q C 1.775 177.718 176.000 -0.095 0.000 0.954 45 Q CA 0.779 56.561 55.803 -0.034 0.000 0.851 45 Q CB 0.239 28.949 28.738 -0.046 0.000 0.928 45 Q HN 0.181 nan 8.270 nan 0.000 0.459 46 R N -1.691 118.663 120.500 -0.242 0.000 2.369 46 R HA 0.192 4.532 4.340 0.000 0.000 0.210 46 R C 1.472 177.602 176.300 -0.284 0.000 0.881 46 R CA 0.439 56.365 56.100 -0.289 0.000 1.031 46 R CB 0.273 30.180 30.300 -0.655 0.000 1.184 46 R HN 0.240 nan 8.270 nan 0.000 0.581 47 C N -0.392 118.619 119.300 -0.481 0.000 3.123 47 C HA 0.441 4.902 4.460 0.000 0.000 0.399 47 C C 2.446 177.122 174.990 -0.523 0.000 1.320 47 C CA 0.061 58.796 59.018 -0.473 0.000 1.949 47 C CB 0.043 27.391 27.740 -0.652 0.000 2.692 47 C HN 0.383 nan 8.230 nan 0.000 0.623 48 A N 1.835 124.192 122.820 -0.773 0.000 2.019 48 A HA 0.120 4.440 4.320 0.000 0.000 0.219 48 A C 2.275 179.817 177.584 -0.069 0.000 1.164 48 A CA 2.046 53.823 52.037 -0.434 0.000 0.644 48 A CB -1.116 17.682 19.000 -0.338 0.000 0.805 48 A HN 0.566 nan 8.150 nan 0.000 0.449 49 G N -0.955 107.823 108.800 -0.038 0.000 2.446 49 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 49 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 49 G C 1.503 176.414 174.900 0.018 0.000 1.168 49 G CA 1.490 46.620 45.100 0.050 0.000 0.771 49 G HN 0.543 nan 8.290 nan 0.000 0.551 50 C N -0.999 118.271 119.300 -0.049 0.000 2.527 50 C HA 0.284 4.744 4.460 0.000 0.000 0.280 50 C C 2.207 177.077 174.990 -0.201 0.000 1.353 50 C CA 0.046 58.974 59.018 -0.150 0.000 1.749 50 C CB -0.652 26.939 27.740 -0.249 0.000 2.088 50 C HN 0.482 nan 8.230 nan 0.000 0.508 51 H N 0.513 119.599 119.070 0.026 0.000 2.563 51 H HA 0.274 4.831 4.556 0.000 0.000 0.264 51 H C 1.406 176.812 175.328 0.130 0.000 0.957 51 H CA 1.261 57.362 56.048 0.088 0.000 1.173 51 H CB 0.096 29.934 29.762 0.127 0.000 1.420 51 H HN 0.544 nan 8.280 nan 0.000 0.551 52 G N 0.199 109.118 108.800 0.198 0.000 2.705 52 G HA2 -0.239 3.722 3.960 0.000 0.000 0.686 52 G HA3 -0.239 3.722 3.960 0.000 0.000 0.686 52 G C 0.869 175.904 174.900 0.225 0.000 1.285 52 G CA -0.155 45.066 45.100 0.201 0.000 0.800 52 G HN 0.099 nan 8.290 nan 0.000 0.611 53 V N 1.152 121.184 119.914 0.197 0.000 2.407 53 V HA -0.097 4.023 4.120 0.000 0.000 0.248 53 V C 2.653 178.776 176.094 0.049 0.000 1.055 53 V CA 2.380 64.783 62.300 0.171 0.000 1.049 53 V CB -0.499 31.282 31.823 -0.069 0.000 0.662 53 V HN 0.542 nan 8.190 nan 0.000 0.455 54 L N -0.918 120.312 121.223 0.013 0.000 2.607 54 L HA 0.270 4.611 4.340 0.000 0.000 0.228 54 L C 1.291 178.160 176.870 -0.001 0.000 1.123 54 L CA 0.088 54.920 54.840 -0.013 0.000 0.890 54 L CB -0.122 41.957 42.059 0.033 0.000 1.103 54 L HN 0.271 nan 8.230 nan 0.000 0.468 55 R N -0.802 119.729 120.500 0.052 0.000 4.000 55 R HA -0.187 4.154 4.340 0.000 0.000 0.362 55 R C 0.931 177.269 176.300 0.064 0.000 1.183 55 R CA 0.531 56.667 56.100 0.061 0.000 1.011 55 R CB -1.284 28.960 30.300 -0.094 0.000 1.501 55 R HN 0.264 nan 8.270 nan 0.000 0.553 56 K N 0.974 121.408 120.400 0.057 0.000 2.486 56 K HA 0.045 4.366 4.320 0.000 0.000 0.194 56 K C 0.985 177.620 176.600 0.058 0.000 1.033 56 K CA 1.134 57.422 56.287 0.001 0.000 1.004 56 K CB 0.339 32.768 32.500 -0.118 0.000 0.798 56 K HN 0.532 nan 8.250 nan 0.000 0.495 57 G N 0.273 109.170 108.800 0.161 0.000 3.039 57 G HA2 0.001 3.961 3.960 0.000 0.000 0.686 57 G HA3 0.001 3.961 3.960 0.000 0.000 0.686 57 G C -0.116 174.947 174.900 0.271 0.000 1.066 57 G CA -0.280 44.949 45.100 0.214 0.000 0.774 57 G HN 0.336 nan 8.290 nan 0.000 0.591 58 A N 1.521 124.474 122.820 0.221 0.000 2.522 58 A HA 0.836 5.156 4.320 0.000 0.000 0.204 58 A C 2.109 179.765 177.584 0.120 0.000 1.826 58 A CA 1.391 53.608 52.037 0.301 0.000 1.652 58 A CB -0.533 18.573 19.000 0.177 0.000 1.452 58 A HN 1.422 nan 8.150 nan 0.000 0.477 59 T N 1.013 115.481 114.554 -0.143 0.000 2.867 59 T HA 0.168 4.518 4.350 0.000 0.000 0.268 59 T C 1.054 175.608 174.700 -0.244 0.000 1.057 59 T CA 1.176 63.066 62.100 -0.350 0.000 1.136 59 T CB -0.489 68.193 68.868 -0.310 0.000 0.874 59 T HN 0.739 nan 8.240 nan 0.000 0.466 60 G N 0.804 109.445 108.800 -0.265 0.000 2.451 60 G HA2 0.495 4.455 3.960 0.000 0.000 0.303 60 G HA3 0.495 4.455 3.960 0.000 0.000 0.303 60 G C -0.474 174.447 174.900 0.037 0.000 1.166 60 G CA -0.742 44.183 45.100 -0.292 0.000 0.884 60 G HN 0.199 nan 8.290 nan 0.000 0.514 61 K N 0.793 121.297 120.400 0.174 0.000 2.336 61 K HA 0.123 4.443 4.320 0.000 0.000 0.262 61 K C -2.251 174.491 176.600 0.236 0.000 0.992 61 K CA -0.862 55.539 56.287 0.189 0.000 0.927 61 K CB 0.519 33.118 32.500 0.166 0.000 0.956 61 K HN 0.201 nan 8.250 nan 0.000 0.495 62 P HA 0.013 nan 4.420 nan 0.000 0.267 62 P C -0.362 176.975 177.300 0.062 0.000 1.205 62 P CA 0.337 63.500 63.100 0.106 0.000 0.765 62 P CB 0.378 32.107 31.700 0.049 0.000 0.828 63 L N 2.145 123.387 121.223 0.031 0.000 2.984 63 L HA 0.155 4.496 4.340 0.000 0.000 0.246 63 L C 0.735 177.554 176.870 -0.085 0.000 1.268 63 L CA -0.155 54.653 54.840 -0.054 0.000 1.054 63 L CB -0.527 41.448 42.059 -0.140 0.000 1.393 63 L HN 0.386 nan 8.230 nan 0.000 0.532 64 T N -3.220 111.298 114.554 -0.059 0.000 2.899 64 T HA 0.174 4.525 4.350 0.000 0.000 0.295 64 T C -1.399 173.256 174.700 -0.076 0.000 1.033 64 T CA -1.575 60.481 62.100 -0.074 0.000 1.084 64 T CB 0.981 69.821 68.868 -0.047 0.000 0.979 64 T HN -0.056 nan 8.240 nan 0.000 0.532 65 P HA -0.212 nan 4.420 nan 0.000 0.217 65 P C 1.229 178.489 177.300 -0.068 0.000 1.148 65 P CA 1.468 64.518 63.100 -0.082 0.000 0.834 65 P CB -0.007 31.642 31.700 -0.085 0.000 0.783 66 D N -0.382 119.986 120.400 -0.054 0.000 2.144 66 D HA -0.157 4.484 4.640 0.000 0.000 0.199 66 D C 1.821 178.090 176.300 -0.051 0.000 0.984 66 D CA 1.114 55.086 54.000 -0.046 0.000 0.834 66 D CB -0.806 39.975 40.800 -0.032 0.000 0.955 66 D HN 0.137 nan 8.370 nan 0.000 0.465 67 I N 1.299 121.836 120.570 -0.054 0.000 2.429 67 I HA -0.112 4.058 4.170 0.000 0.000 0.247 67 I C 2.622 178.688 176.117 -0.086 0.000 1.099 67 I CA 1.448 62.709 61.300 -0.064 0.000 1.422 67 I CB -1.441 36.532 38.000 -0.045 0.000 1.112 67 I HN 0.221 nan 8.210 nan 0.000 0.430 68 T N -1.160 113.349 114.554 -0.075 0.000 2.821 68 T HA -0.172 4.178 4.350 0.000 0.000 0.267 68 T C 1.746 176.405 174.700 -0.069 0.000 1.046 68 T CA 1.030 63.087 62.100 -0.071 0.000 1.139 68 T CB -0.393 68.439 68.868 -0.060 0.000 0.871 68 T HN 0.328 nan 8.240 nan 0.000 0.454 69 Q N 0.468 120.226 119.800 -0.070 0.000 2.230 69 Q HA -0.056 4.284 4.340 0.000 0.000 0.202 69 Q C 2.506 178.467 176.000 -0.064 0.000 0.963 69 Q CA 1.065 56.830 55.803 -0.063 0.000 0.866 69 Q CB -0.161 28.537 28.738 -0.067 0.000 0.931 69 Q HN 0.712 nan 8.270 nan 0.000 0.452 70 Q N 0.343 120.095 119.800 -0.080 0.000 2.079 70 Q HA -0.153 4.187 4.340 0.000 0.000 0.200 70 Q C 1.875 177.801 176.000 -0.125 0.000 0.974 70 Q CA 0.834 56.583 55.803 -0.089 0.000 0.840 70 Q CB 0.269 28.952 28.738 -0.092 0.000 0.898 70 Q HN 0.150 nan 8.270 nan 0.000 0.430 71 R N -0.041 120.349 120.500 -0.184 0.000 2.066 71 R HA 0.066 4.407 4.340 0.000 0.000 0.232 71 R C 0.922 177.166 176.300 -0.092 0.000 1.131 71 R CA 1.123 57.041 56.100 -0.304 0.000 0.955 71 R CB -0.961 29.060 30.300 -0.466 0.000 0.851 71 R HN 0.415 nan 8.270 nan 0.000 0.432 72 G N 0.268 109.050 108.800 -0.030 0.000 2.690 72 G HA2 -0.208 3.752 3.960 0.000 0.000 0.686 72 G HA3 -0.208 3.752 3.960 0.000 0.000 0.686 72 G C 0.318 175.263 174.900 0.076 0.000 1.277 72 G CA -0.100 45.015 45.100 0.025 0.000 0.799 72 G HN 0.089 nan 8.290 nan 0.000 0.613 73 Q N 0.032 119.869 119.800 0.061 0.000 2.096 73 Q HA -0.222 4.118 4.340 0.000 0.000 0.208 73 Q C 2.811 178.867 176.000 0.093 0.000 0.993 73 Q CA 2.832 58.677 55.803 0.070 0.000 0.862 73 Q CB -0.221 28.548 28.738 0.051 0.000 0.915 73 Q HN 0.819 nan 8.270 nan 0.000 0.416 74 Q N -1.164 118.694 119.800 0.098 0.000 2.050 74 Q HA -0.200 4.140 4.340 0.000 0.000 0.202 74 Q C 1.929 178.006 176.000 0.129 0.000 0.980 74 Q CA 1.641 57.504 55.803 0.099 0.000 0.840 74 Q CB -0.386 28.404 28.738 0.087 0.000 0.898 74 Q HN 0.394 nan 8.270 nan 0.000 0.424 75 Y N 1.470 121.795 120.300 0.042 0.000 2.097 75 Y HA -0.249 4.301 4.550 0.000 0.000 0.282 75 Y C 1.849 177.783 175.900 0.056 0.000 1.152 75 Y CA 1.542 59.671 58.100 0.049 0.000 1.136 75 Y CB -0.327 38.155 38.460 0.036 0.000 0.975 75 Y HN 0.002 nan 8.280 nan 0.000 0.498 76 L N -0.007 121.425 121.223 0.348 0.000 2.042 76 L HA -0.249 4.091 4.340 0.000 0.000 0.210 76 L C 2.479 179.420 176.870 0.118 0.000 1.076 76 L CA 1.899 56.882 54.840 0.238 0.000 0.749 76 L CB -0.662 41.495 42.059 0.162 0.000 0.893 76 L HN 0.296 nan 8.230 nan 0.000 0.432 77 E N 0.041 120.293 120.200 0.087 0.000 2.077 77 E HA -0.226 4.124 4.350 0.000 0.000 0.193 77 E C 2.305 178.917 176.600 0.021 0.000 0.989 77 E CA 1.205 57.633 56.400 0.045 0.000 0.800 77 E CB -0.130 29.595 29.700 0.042 0.000 0.746 77 E HN 0.517 nan 8.360 nan 0.000 0.452 78 A N 1.079 123.922 122.820 0.037 0.000 1.930 78 A HA -0.135 4.185 4.320 0.000 0.000 0.217 78 A C 2.146 179.768 177.584 0.065 0.000 1.175 78 A CA 0.854 52.939 52.037 0.081 0.000 0.627 78 A CB -0.490 18.548 19.000 0.063 0.000 0.815 78 A HN 0.213 nan 8.150 nan 0.000 0.443 79 L N -0.517 120.692 121.223 -0.024 0.000 2.072 79 L HA -0.055 4.285 4.340 0.000 0.000 0.205 79 L C 2.271 179.186 176.870 0.075 0.000 1.079 79 L CA 1.197 56.038 54.840 0.002 0.000 0.752 79 L CB -0.197 41.859 42.059 -0.006 0.000 0.906 79 L HN 0.409 nan 8.230 nan 0.000 0.436 80 I N -1.056 119.568 120.570 0.091 0.000 2.394 80 I HA -0.258 3.912 4.170 0.000 0.000 0.251 80 I C 2.218 178.404 176.117 0.114 0.000 1.136 80 I CA 1.314 62.715 61.300 0.170 0.000 1.425 80 I CB -0.523 37.550 38.000 0.121 0.000 1.079 80 I HN 0.246 nan 8.210 nan 0.000 0.425 81 T N -0.184 114.324 114.554 -0.077 0.000 2.732 81 T HA -0.145 4.205 4.350 0.000 0.000 0.261 81 T C 1.553 175.973 174.700 -0.467 0.000 1.040 81 T CA 1.619 63.518 62.100 -0.335 0.000 1.145 81 T CB -0.304 68.191 68.868 -0.623 0.000 0.866 81 T HN 0.257 nan 8.240 nan 0.000 0.427 82 Y N 1.036 121.333 120.300 -0.005 0.000 2.510 82 Y HA 0.408 4.958 4.550 0.000 0.000 0.273 82 Y C 1.825 177.692 175.900 -0.054 0.000 1.119 82 Y CA -0.145 57.933 58.100 -0.037 0.000 1.286 82 Y CB -0.554 37.878 38.460 -0.047 0.000 1.061 82 Y HN 0.423 nan 8.280 nan 0.000 0.542 83 G N 0.664 109.500 108.800 0.059 0.000 2.645 83 G HA2 -0.117 3.844 3.960 0.000 0.000 0.246 83 G HA3 -0.117 3.844 3.960 0.000 0.000 0.246 83 G C -0.114 174.808 174.900 0.037 0.000 1.322 83 G CA -0.083 45.030 45.100 0.021 0.000 0.898 83 G HN 0.605 nan 8.290 nan 0.000 0.573 84 T N -2.864 111.698 114.554 0.012 0.000 2.883 84 T HA 0.791 5.141 4.350 0.000 0.000 0.296 84 T C -1.691 173.002 174.700 -0.012 0.000 1.117 84 T CA -0.223 61.884 62.100 0.012 0.000 1.006 84 T CB 2.716 71.603 68.868 0.031 0.000 1.191 84 T HN 0.673 nan 8.240 nan 0.000 0.508 85 P HA 0.230 nan 4.420 nan 0.000 0.245 85 P C 0.835 178.119 177.300 -0.027 0.000 1.206 85 P CA 0.198 63.284 63.100 -0.023 0.000 0.781 85 P CB 0.086 31.775 31.700 -0.018 0.000 0.994 86 L N -0.418 120.794 121.223 -0.019 0.000 2.737 86 L HA 0.359 4.699 4.340 0.000 0.000 0.236 86 L C 1.220 178.064 176.870 -0.043 0.000 1.219 86 L CA 0.415 55.240 54.840 -0.025 0.000 1.021 86 L CB -0.878 41.175 42.059 -0.011 0.000 1.291 86 L HN 0.095 nan 8.230 nan 0.000 0.470 87 G N 0.208 108.975 108.800 -0.054 0.000 2.163 87 G HA2 -0.269 3.692 3.960 0.000 0.000 0.213 87 G HA3 -0.269 3.692 3.960 0.000 0.000 0.213 87 G C -0.099 174.759 174.900 -0.070 0.000 0.991 87 G CA -0.201 44.854 45.100 -0.076 0.000 0.653 87 G HN 0.236 nan 8.290 nan 0.000 0.518 88 M N 2.847 122.422 119.600 -0.042 0.000 2.061 88 M HA 0.556 5.037 4.480 0.000 0.000 0.346 88 M C -2.170 174.069 176.300 -0.101 0.000 1.112 88 M CA -3.340 51.954 55.300 -0.010 0.000 1.021 88 M CB 0.958 33.598 32.600 0.067 0.000 1.530 88 M HN 0.014 nan 8.290 nan 0.000 0.437 89 P HA 0.091 nan 4.420 nan 0.000 0.269 89 P C -1.141 175.779 177.300 -0.633 0.000 1.209 89 P CA 0.009 62.798 63.100 -0.517 0.000 0.776 89 P CB 0.129 31.320 31.700 -0.849 0.000 0.876 90 N N 2.193 120.597 118.700 -0.494 0.000 2.402 90 N HA 0.011 4.751 4.740 0.000 0.000 0.252 90 N C -0.036 175.239 175.510 -0.392 0.000 1.118 90 N CA -0.397 52.457 53.050 -0.326 0.000 0.945 90 N CB 0.263 38.652 38.487 -0.164 0.000 1.147 90 N HN 0.489 nan 8.380 nan 0.000 0.495 91 W N 1.915 123.167 121.300 -0.078 0.000 2.658 91 W HA 0.242 4.903 4.660 0.000 0.000 0.263 91 W C 1.992 178.450 176.519 -0.102 0.000 1.274 91 W CA 0.146 57.444 57.345 -0.078 0.000 1.343 91 W CB 0.305 29.725 29.460 -0.067 0.000 1.106 91 W HN 0.676 nan 8.180 nan 0.000 0.615 92 G N -0.909 107.896 108.800 0.009 0.000 2.556 92 G HA2 -0.106 3.854 3.960 0.000 0.000 0.209 92 G HA3 -0.106 3.854 3.960 0.000 0.000 0.209 92 G C 1.515 176.354 174.900 -0.101 0.000 1.159 92 G CA 0.674 45.726 45.100 -0.079 0.000 0.828 92 G HN 0.060 nan 8.290 nan 0.000 0.553 93 S N 1.300 116.916 115.700 -0.141 0.000 2.399 93 S HA -0.125 4.345 4.470 0.000 0.000 0.231 93 S C 2.556 177.132 174.600 -0.041 0.000 1.022 93 S CA 1.612 59.773 58.200 -0.064 0.000 0.983 93 S CB -0.169 63.028 63.200 -0.006 0.000 0.803 93 S HN 0.569 nan 8.310 nan 0.000 0.480 94 S N 0.360 116.025 115.700 -0.059 0.000 2.558 94 S HA 0.324 4.794 4.470 0.000 0.000 0.217 94 S C 1.508 176.098 174.600 -0.017 0.000 0.975 94 S CA 0.596 58.764 58.200 -0.053 0.000 0.912 94 S CB -0.198 62.941 63.200 -0.102 0.000 0.776 94 S HN 0.718 nan 8.310 nan 0.000 0.526 95 G N 1.345 110.144 108.800 -0.002 0.000 2.153 95 G HA2 -0.273 3.687 3.960 0.000 0.000 0.252 95 G HA3 -0.273 3.687 3.960 0.000 0.000 0.252 95 G C 0.695 175.621 174.900 0.044 0.000 0.994 95 G CA 0.503 45.611 45.100 0.015 0.000 0.698 95 G HN 0.469 nan 8.290 nan 0.000 0.521 96 E N -0.660 119.593 120.200 0.089 0.000 2.072 96 E HA 0.087 4.437 4.350 0.000 0.000 0.190 96 E C 1.541 178.221 176.600 0.133 0.000 0.982 96 E CA 0.871 57.366 56.400 0.158 0.000 0.803 96 E CB 0.058 29.965 29.700 0.345 0.000 0.755 96 E HN 0.662 nan 8.360 nan 0.000 0.453 97 L N 0.589 121.890 121.223 0.131 0.000 2.341 97 L HA 0.263 4.603 4.340 0.000 0.000 0.267 97 L C 0.375 177.259 176.870 0.024 0.000 1.009 97 L CA -0.816 54.055 54.840 0.051 0.000 0.819 97 L CB 1.979 44.050 42.059 0.018 0.000 1.323 97 L HN -0.085 nan 8.230 nan 0.000 0.425 98 S N 0.418 116.116 115.700 -0.002 0.000 2.645 98 S HA 0.302 4.772 4.470 0.000 0.000 0.266 98 S C 0.801 175.392 174.600 -0.014 0.000 1.258 98 S CA -0.841 57.354 58.200 -0.008 0.000 0.990 98 S CB 1.300 64.494 63.200 -0.010 0.000 0.967 98 S HN 0.533 nan 8.310 nan 0.000 0.556 99 K N 1.102 121.494 120.400 -0.014 0.000 2.103 99 K HA -0.128 4.192 4.320 0.000 0.000 0.207 99 K C 1.768 178.361 176.600 -0.011 0.000 1.048 99 K CA 1.629 57.907 56.287 -0.014 0.000 0.930 99 K CB -0.606 31.890 32.500 -0.007 0.000 0.716 99 K HN 0.679 nan 8.250 nan 0.000 0.444 100 E N 1.250 121.443 120.200 -0.011 0.000 2.072 100 E HA -0.117 4.233 4.350 0.000 0.000 0.191 100 E C 2.192 178.779 176.600 -0.022 0.000 0.985 100 E CA 1.037 57.430 56.400 -0.011 0.000 0.801 100 E CB -0.082 29.612 29.700 -0.009 0.000 0.750 100 E HN 0.345 nan 8.360 nan 0.000 0.452 101 Q N -0.123 119.656 119.800 -0.034 0.000 2.123 101 Q HA -0.033 4.308 4.340 0.000 0.000 0.199 101 Q C 2.203 178.164 176.000 -0.065 0.000 0.966 101 Q CA 0.896 56.663 55.803 -0.060 0.000 0.845 101 Q CB -0.033 28.662 28.738 -0.072 0.000 0.907 101 Q HN 0.328 nan 8.270 nan 0.000 0.439 102 I N 0.228 120.771 120.570 -0.045 0.000 2.394 102 I HA -0.233 3.937 4.170 0.000 0.000 0.251 102 I C 2.011 178.120 176.117 -0.014 0.000 1.136 102 I CA 1.018 62.297 61.300 -0.035 0.000 1.425 102 I CB -0.189 37.799 38.000 -0.021 0.000 1.079 102 I HN 0.189 nan 8.210 nan 0.000 0.425 103 T N 1.102 115.653 114.554 -0.006 0.000 2.821 103 T HA -0.064 4.287 4.350 0.000 0.000 0.267 103 T C 1.941 176.652 174.700 0.018 0.000 1.046 103 T CA 1.061 63.168 62.100 0.013 0.000 1.139 103 T CB -0.150 68.726 68.868 0.014 0.000 0.871 103 T HN 0.250 nan 8.240 nan 0.000 0.454 104 L N 0.161 121.382 121.223 -0.003 0.000 2.156 104 L HA -0.021 4.319 4.340 0.000 0.000 0.208 104 L C 2.565 179.432 176.870 -0.005 0.000 1.095 104 L CA 0.696 55.531 54.840 -0.007 0.000 0.770 104 L CB -0.383 41.647 42.059 -0.047 0.000 0.914 104 L HN 0.258 nan 8.230 nan 0.000 0.439 105 M N -0.618 118.964 119.600 -0.030 0.000 2.200 105 M HA -0.072 4.408 4.480 0.000 0.000 0.265 105 M C 2.540 178.876 176.300 0.059 0.000 1.066 105 M CA 1.653 56.944 55.300 -0.015 0.000 1.127 105 M CB -1.296 31.257 32.600 -0.079 0.000 1.379 105 M HN 0.219 nan 8.290 nan 0.000 0.420 106 A N 0.070 122.918 122.820 0.046 0.000 1.969 106 A HA -0.154 4.166 4.320 0.000 0.000 0.218 106 A C 2.304 179.933 177.584 0.076 0.000 1.169 106 A CA 1.457 53.530 52.037 0.060 0.000 0.635 106 A CB -0.440 18.595 19.000 0.057 0.000 0.810 106 A HN 0.461 nan 8.150 nan 0.000 0.445 107 K N -1.876 118.583 120.400 0.098 0.000 2.062 107 K HA -0.094 4.227 4.320 0.000 0.000 0.205 107 K C 1.970 178.715 176.600 0.242 0.000 1.051 107 K CA 1.419 57.795 56.287 0.149 0.000 0.941 107 K CB -0.335 32.255 32.500 0.150 0.000 0.719 107 K HN 0.587 nan 8.250 nan 0.000 0.440 108 Y N 2.546 122.856 120.300 0.017 0.000 2.114 108 Y HA -0.190 4.361 4.550 0.000 0.000 0.284 108 Y C 1.881 177.757 175.900 -0.041 0.000 1.143 108 Y CA 1.613 59.658 58.100 -0.092 0.000 1.135 108 Y CB -0.321 37.963 38.460 -0.294 0.000 0.980 108 Y HN 0.031 nan 8.280 nan 0.000 0.499 109 I N -0.980 119.530 120.570 -0.100 0.000 3.164 109 I HA -0.184 3.986 4.170 0.000 0.000 0.278 109 I C 1.379 177.405 176.117 -0.152 0.000 1.320 109 I CA 1.287 62.459 61.300 -0.214 0.000 1.422 109 I CB -0.543 37.399 38.000 -0.096 0.000 1.066 109 I HN 0.372 nan 8.210 nan 0.000 0.503 110 Q N -0.109 119.650 119.800 -0.069 0.000 2.408 110 Q HA 0.183 4.524 4.340 0.000 0.000 0.205 110 Q C 0.309 176.229 176.000 -0.133 0.000 0.919 110 Q CA 0.114 55.867 55.803 -0.082 0.000 0.932 110 Q CB 0.275 28.976 28.738 -0.062 0.000 1.058 110 Q HN 0.664 nan 8.270 nan 0.000 0.517 111 H N 0.147 119.132 119.070 -0.141 0.000 2.495 111 H HA 0.194 4.750 4.556 0.000 0.000 0.350 111 H C -0.081 175.156 175.328 -0.151 0.000 1.202 111 H CA -0.252 55.742 56.048 -0.091 0.000 1.322 111 H CB 1.235 31.023 29.762 0.044 0.000 1.544 111 H HN -0.075 nan 8.280 nan 0.000 0.565 112 T N 3.893 118.472 114.554 0.041 0.000 2.902 112 T HA 0.054 4.404 4.350 0.000 0.000 0.301 112 T C -2.149 172.524 174.700 -0.046 0.000 1.012 112 T CA -0.828 61.261 62.100 -0.018 0.000 1.151 112 T CB 0.142 69.012 68.868 0.004 0.000 0.946 112 T HN 0.290 nan 8.240 nan 0.000 0.542 113 P HA 0.167 nan 4.420 nan 0.000 0.263 113 P C -2.313 174.982 177.300 -0.008 0.000 1.195 113 P CA -0.976 62.041 63.100 -0.138 0.000 0.762 113 P CB -0.265 31.357 31.700 -0.131 0.000 0.799 114 P HA 0.041 nan 4.420 nan 0.000 0.268 114 P C -0.389 176.964 177.300 0.088 0.000 1.205 114 P CA 0.093 63.288 63.100 0.159 0.000 0.771 114 P CB 0.368 32.261 31.700 0.322 0.000 0.858 115 Q N 3.445 123.282 119.800 0.063 0.000 2.295 115 Q HA 0.262 4.602 4.340 0.000 0.000 0.259 115 Q C -1.865 174.150 176.000 0.025 0.000 0.976 115 Q CA -1.333 54.495 55.803 0.043 0.000 0.923 115 Q CB 0.078 28.857 28.738 0.067 0.000 1.185 115 Q HN 0.395 nan 8.270 nan 0.000 0.410 116 P HA 0.376 nan 4.420 nan 0.000 0.279 116 P C -2.434 174.990 177.300 0.206 0.000 1.252 116 P CA -1.348 61.714 63.100 -0.063 0.000 0.811 116 P CB -0.081 31.311 31.700 -0.514 0.000 1.035 117 P HA 0.201 nan 4.420 nan 0.000 0.274 117 P C -0.313 177.275 177.300 0.481 0.000 1.237 117 P CA -0.120 63.174 63.100 0.323 0.000 0.793 117 P CB 1.082 32.945 31.700 0.272 0.000 0.977 118 E N 0.155 120.556 120.200 0.334 0.000 2.330 118 E HA 0.295 4.645 4.350 0.000 0.000 0.256 118 E C -0.810 175.982 176.600 0.320 0.000 1.146 118 E CA -0.138 56.417 56.400 0.258 0.000 0.945 118 E CB 1.070 30.858 29.700 0.146 0.000 1.182 118 E HN 0.578 nan 8.360 nan 0.000 0.480 119 W N 0.769 122.057 121.300 -0.019 0.000 2.527 119 W HA 0.369 5.029 4.660 0.001 0.000 0.293 119 W C -0.827 175.664 176.519 -0.047 0.000 1.036 119 W CA -0.303 57.032 57.345 -0.018 0.000 1.233 119 W CB 0.854 30.305 29.460 -0.015 0.000 1.116 119 W HN 0.577 nan 8.180 nan 0.000 0.335 120 G N 1.969 110.668 108.800 -0.169 0.000 2.736 120 G HA2 0.304 4.264 3.960 0.000 0.000 0.229 120 G HA3 0.304 4.264 3.960 0.000 0.000 0.229 120 G C 0.372 175.136 174.900 -0.227 0.000 1.380 120 G CA -0.385 44.627 45.100 -0.146 0.000 1.040 120 G HN 0.321 nan 8.290 nan 0.000 0.568 121 M N 0.367 119.874 119.600 -0.155 0.000 2.108 121 M HA 0.048 4.528 4.480 0.000 0.000 0.261 121 M C -0.394 175.807 176.300 -0.164 0.000 1.066 121 M CA 1.662 56.878 55.300 -0.140 0.000 1.107 121 M CB -0.995 31.544 32.600 -0.101 0.000 1.356 121 M HN 0.255 nan 8.290 nan 0.000 0.406 122 P HA -0.129 nan 4.420 nan 0.000 0.215 122 P C 0.921 178.068 177.300 -0.255 0.000 1.157 122 P CA 1.414 64.413 63.100 -0.168 0.000 0.868 122 P CB -0.015 31.595 31.700 -0.151 0.000 0.788 123 E N -1.468 118.447 120.200 -0.475 0.000 2.106 123 E HA -0.103 4.247 4.350 0.000 0.000 0.192 123 E C 2.051 178.254 176.600 -0.662 0.000 0.984 123 E CA 1.061 56.959 56.400 -0.837 0.000 0.806 123 E CB -0.712 27.971 29.700 -1.696 0.000 0.750 123 E HN 0.189 nan 8.360 nan 0.000 0.458 124 M N -0.085 119.241 119.600 -0.457 0.000 2.132 124 M HA -0.116 4.364 4.480 0.000 0.000 0.263 124 M C 1.967 178.312 176.300 0.076 0.000 1.065 124 M CA 1.420 56.705 55.300 -0.026 0.000 1.122 124 M CB 0.119 32.722 32.600 0.005 0.000 1.365 124 M HN -0.031 nan 8.290 nan 0.000 0.411 125 R N -0.652 119.862 120.500 0.022 0.000 2.115 125 R HA -0.154 4.186 4.340 0.000 0.000 0.226 125 R C 2.003 178.416 176.300 0.189 0.000 1.100 125 R CA 1.272 57.468 56.100 0.161 0.000 0.980 125 R CB -0.299 30.061 30.300 0.100 0.000 0.875 125 R HN 0.285 nan 8.270 nan 0.000 0.445 126 E N 0.983 121.218 120.200 0.058 0.000 2.110 126 E HA -0.137 4.213 4.350 0.000 0.000 0.193 126 E C 1.763 178.422 176.600 0.100 0.000 0.988 126 E CA 1.902 58.327 56.400 0.043 0.000 0.804 126 E CB -0.015 29.662 29.700 -0.038 0.000 0.745 126 E HN 0.259 nan 8.360 nan 0.000 0.458 127 S N -1.060 114.737 115.700 0.162 0.000 2.496 127 S HA -0.054 4.416 4.470 0.000 0.000 0.224 127 S C 0.575 175.319 174.600 0.240 0.000 0.996 127 S CA -0.088 58.248 58.200 0.227 0.000 0.927 127 S CB -0.552 62.869 63.200 0.368 0.000 0.774 127 S HN 0.393 nan 8.310 nan 0.000 0.524 128 W N 3.554 124.889 121.300 0.059 0.000 2.308 128 W HA 0.479 5.139 4.660 0.000 0.000 0.324 128 W C -0.493 176.041 176.519 0.025 0.000 1.387 128 W CA -0.821 56.547 57.345 0.039 0.000 1.250 128 W CB 0.142 29.616 29.460 0.024 0.000 1.257 128 W HN 0.028 nan 8.180 nan 0.000 0.554 129 K N 4.852 125.057 120.400 -0.324 0.000 2.482 129 K HA 0.473 4.793 4.320 0.000 0.000 0.251 129 K C -1.583 174.755 176.600 -0.436 0.000 0.936 129 K CA -1.088 54.942 56.287 -0.428 0.000 0.791 129 K CB 2.352 34.759 32.500 -0.156 0.000 1.213 129 K HN 0.109 nan 8.250 nan 0.000 0.428 130 V N 5.242 124.867 119.914 -0.481 0.000 2.313 130 V HA 0.165 4.285 4.120 0.000 0.000 0.278 130 V C 0.988 176.990 176.094 -0.153 0.000 1.017 130 V CA -0.412 61.737 62.300 -0.252 0.000 0.823 130 V CB 0.756 32.430 31.823 -0.250 0.000 1.010 130 V HN 0.757 nan 8.190 nan 0.000 0.443 131 L N 4.432 125.609 121.223 -0.078 0.000 2.095 131 L HA 0.123 4.464 4.340 0.000 0.000 0.204 131 L C 0.401 177.258 176.870 -0.023 0.000 1.080 131 L CA 1.091 55.904 54.840 -0.045 0.000 0.759 131 L CB 0.026 42.076 42.059 -0.015 0.000 0.914 131 L HN 0.419 nan 8.230 nan 0.000 0.439 132 V N 0.508 120.420 119.914 -0.002 0.000 2.443 132 V HA 0.221 4.341 4.120 0.000 0.000 0.293 132 V C -0.126 175.981 176.094 0.021 0.000 1.021 132 V CA -1.111 61.200 62.300 0.018 0.000 0.848 132 V CB 1.438 33.289 31.823 0.047 0.000 0.998 132 V HN 0.109 nan 8.190 nan 0.000 0.424 133 K N 5.040 125.448 120.400 0.012 0.000 2.436 133 K HA 0.115 4.435 4.320 0.000 0.000 0.275 133 K C -1.576 175.049 176.600 0.041 0.000 0.999 133 K CA -1.049 55.249 56.287 0.018 0.000 0.980 133 K CB 0.898 33.405 32.500 0.011 0.000 0.919 133 K HN 0.337 nan 8.250 nan 0.000 0.484 134 P HA -0.202 nan 4.420 nan 0.000 0.217 134 P C 0.166 177.505 177.300 0.064 0.000 1.148 134 P CA 1.381 64.516 63.100 0.058 0.000 0.828 134 P CB 0.234 31.958 31.700 0.041 0.000 0.783 135 E N -0.740 119.489 120.200 0.049 0.000 2.150 135 E HA -0.131 4.220 4.350 0.000 0.000 0.193 135 E C 1.076 177.706 176.600 0.049 0.000 0.985 135 E CA 0.950 57.377 56.400 0.046 0.000 0.814 135 E CB -0.472 29.249 29.700 0.034 0.000 0.752 135 E HN 0.313 nan 8.360 nan 0.000 0.466 136 D N 0.285 120.714 120.400 0.048 0.000 2.340 136 D HA 0.074 4.714 4.640 0.000 0.000 0.217 136 D C 0.209 176.547 176.300 0.064 0.000 1.081 136 D CA 0.125 54.153 54.000 0.048 0.000 0.842 136 D CB 0.292 41.112 40.800 0.035 0.000 0.934 136 D HN 0.052 nan 8.370 nan 0.000 0.511 137 R N 1.067 121.618 120.500 0.085 0.000 2.543 137 R HA 0.357 4.697 4.340 0.000 0.000 0.268 137 R C -2.175 174.201 176.300 0.126 0.000 1.067 137 R CA -1.374 54.794 56.100 0.113 0.000 1.142 137 R CB 0.223 30.610 30.300 0.146 0.000 1.110 137 R HN -0.135 nan 8.270 nan 0.000 0.549 138 P HA -0.009 nan 4.420 nan 0.000 0.270 138 P C -0.022 177.412 177.300 0.225 0.000 1.227 138 P CA 0.008 63.209 63.100 0.168 0.000 0.788 138 P CB 0.636 32.456 31.700 0.201 0.000 0.926 139 K N 0.582 121.076 120.400 0.157 0.000 2.354 139 K HA 0.108 4.428 4.320 0.000 0.000 0.194 139 K C 0.592 177.251 176.600 0.097 0.000 1.038 139 K CA 0.781 57.165 56.287 0.161 0.000 1.052 139 K CB 0.290 32.837 32.500 0.078 0.000 0.861 139 K HN 0.568 nan 8.250 nan 0.000 0.535 140 K N -0.652 119.689 120.400 -0.099 0.000 2.533 140 K HA 0.237 4.557 4.320 0.000 0.000 0.284 140 K C -0.872 175.281 176.600 -0.744 0.000 1.025 140 K CA -0.869 55.056 56.287 -0.603 0.000 0.900 140 K CB 1.063 33.338 32.500 -0.375 0.000 1.519 140 K HN -0.256 nan 8.250 nan 0.000 0.432 141 Q N 1.584 120.710 119.800 -1.122 0.000 2.300 141 Q HA 0.108 4.448 4.340 0.000 0.000 0.262 141 Q C -0.020 175.791 176.000 -0.315 0.000 1.109 141 Q CA -0.132 55.205 55.803 -0.778 0.000 0.905 141 Q CB 0.290 28.586 28.738 -0.737 0.000 1.280 141 Q HN 0.619 nan 8.270 nan 0.000 0.426 142 L N 3.299 124.434 121.223 -0.147 0.000 2.591 142 L HA 0.056 4.396 4.340 0.000 0.000 0.228 142 L C 0.137 176.981 176.870 -0.043 0.000 1.133 142 L CA -0.025 54.772 54.840 -0.072 0.000 0.880 142 L CB -0.675 41.373 42.059 -0.018 0.000 1.033 142 L HN 0.588 nan 8.230 nan 0.000 0.450 143 N N -2.977 115.696 118.700 -0.045 0.000 2.545 143 N HA 0.235 4.976 4.740 0.000 0.000 0.289 143 N C -0.492 175.000 175.510 -0.030 0.000 1.279 143 N CA -0.796 52.244 53.050 -0.017 0.000 0.824 143 N CB 0.841 39.339 38.487 0.017 0.000 1.395 143 N HN -0.197 nan 8.380 nan 0.000 0.526 144 D N -0.140 120.254 120.400 -0.011 0.000 2.559 144 D HA 0.234 4.874 4.640 0.000 0.000 0.234 144 D C -0.272 176.032 176.300 0.007 0.000 1.226 144 D CA -0.089 53.904 54.000 -0.011 0.000 0.830 144 D CB 0.065 40.859 40.800 -0.010 0.000 1.028 144 D HN 0.389 nan 8.370 nan 0.000 0.492 145 L N 0.588 121.823 121.223 0.020 0.000 2.436 145 L HA 0.152 4.492 4.340 0.000 0.000 0.265 145 L C 0.830 177.725 176.870 0.041 0.000 1.168 145 L CA -0.317 54.547 54.840 0.039 0.000 0.815 145 L CB 0.719 42.811 42.059 0.055 0.000 1.109 145 L HN -0.207 nan 8.230 nan 0.000 0.462 146 D N 2.046 122.475 120.400 0.048 0.000 2.522 146 D HA 0.168 4.808 4.640 0.000 0.000 0.218 146 D C 1.081 177.418 176.300 0.061 0.000 1.149 146 D CA -0.067 53.962 54.000 0.047 0.000 0.981 146 D CB 0.392 41.218 40.800 0.043 0.000 1.041 146 D HN 0.373 nan 8.370 nan 0.000 0.518 147 L N 2.952 124.220 121.223 0.075 0.000 2.043 147 L HA -0.107 4.233 4.340 0.000 0.000 0.212 147 L C -0.504 176.415 176.870 0.082 0.000 1.075 147 L CA 1.109 56.002 54.840 0.089 0.000 0.752 147 L CB -1.484 40.653 42.059 0.129 0.000 0.891 147 L HN 0.313 nan 8.230 nan 0.000 0.432 148 P HA -0.124 nan 4.420 nan 0.000 0.222 148 P C 0.893 178.224 177.300 0.051 0.000 1.147 148 P CA 1.232 64.417 63.100 0.141 0.000 0.790 148 P CB -0.005 31.798 31.700 0.171 0.000 0.780 149 N N -1.472 117.234 118.700 0.009 0.000 2.235 149 N HA 0.067 4.807 4.740 0.000 0.000 0.209 149 N C -0.052 175.435 175.510 -0.039 0.000 1.122 149 N CA -0.121 52.908 53.050 -0.035 0.000 0.845 149 N CB -0.400 38.107 38.487 0.034 0.000 1.004 149 N HN -0.065 nan 8.380 nan 0.000 0.499 150 L N 0.286 121.485 121.223 -0.041 0.000 2.453 150 L HA 0.414 4.754 4.340 0.000 0.000 0.261 150 L C -0.677 176.118 176.870 -0.124 0.000 1.179 150 L CA 0.141 54.994 54.840 0.023 0.000 0.813 150 L CB 0.271 42.357 42.059 0.044 0.000 1.110 150 L HN -0.042 nan 8.230 nan 0.000 0.466 151 F N 0.785 120.663 119.950 -0.120 0.000 2.529 151 F HA 0.365 4.892 4.527 0.001 0.000 0.320 151 F C 0.202 175.981 175.800 -0.035 0.000 1.118 151 F CA -0.476 57.431 58.000 -0.156 0.000 0.915 151 F CB 2.008 40.791 39.000 -0.360 0.000 1.161 151 F HN 0.287 nan 8.300 nan 0.000 0.445 152 S N 3.291 119.102 115.700 0.184 0.000 2.434 152 S HA 0.613 5.083 4.470 0.000 0.000 0.318 152 S C -0.947 173.780 174.600 0.212 0.000 1.062 152 S CA -0.480 57.824 58.200 0.172 0.000 1.116 152 S CB -0.025 63.260 63.200 0.141 0.000 0.977 152 S HN 0.354 nan 8.310 nan 0.000 0.480 153 V N 5.177 125.183 119.914 0.153 0.000 2.427 153 V HA 0.394 4.514 4.120 0.000 0.000 0.286 153 V C 0.572 176.706 176.094 0.066 0.000 1.034 153 V CA -0.721 61.642 62.300 0.104 0.000 0.893 153 V CB 1.681 33.559 31.823 0.092 0.000 0.982 153 V HN 0.761 nan 8.190 nan 0.000 0.452 154 T N 6.586 121.156 114.554 0.028 0.000 2.780 154 T HA 0.442 4.793 4.350 0.000 0.000 0.294 154 T C 0.152 174.819 174.700 -0.054 0.000 0.949 154 T CA -0.097 61.990 62.100 -0.021 0.000 1.074 154 T CB 0.232 69.062 68.868 -0.064 0.000 0.910 154 T HN 0.424 nan 8.240 nan 0.000 0.501 155 L N 4.523 125.724 121.223 -0.037 0.000 2.475 155 L HA 0.379 4.719 4.340 0.000 0.000 0.253 155 L C 1.932 178.766 176.870 -0.061 0.000 1.137 155 L CA -0.653 54.172 54.840 -0.026 0.000 1.058 155 L CB -0.048 42.017 42.059 0.011 0.000 1.382 155 L HN 0.661 nan 8.230 nan 0.000 0.416 156 R N 1.174 121.603 120.500 -0.119 0.000 2.292 156 R HA -0.260 4.080 4.340 0.000 0.000 0.223 156 R C 1.038 177.193 176.300 -0.243 0.000 1.088 156 R CA 2.786 58.769 56.100 -0.195 0.000 0.849 156 R CB 0.023 30.201 30.300 -0.204 0.000 0.852 156 R HN 0.571 nan 8.270 nan 0.000 0.424 157 D N -0.673 119.683 120.400 -0.072 0.000 2.309 157 D HA -0.085 4.555 4.640 0.000 0.000 0.212 157 D C 1.309 177.709 176.300 0.166 0.000 0.968 157 D CA 1.231 55.269 54.000 0.063 0.000 0.882 157 D CB -0.034 40.879 40.800 0.189 0.000 0.918 157 D HN 0.459 nan 8.370 nan 0.000 0.503 158 A N -0.161 122.707 122.820 0.078 0.000 2.178 158 A HA 0.406 4.727 4.320 0.000 0.000 0.211 158 A C 1.798 179.446 177.584 0.105 0.000 1.157 158 A CA 0.779 52.877 52.037 0.101 0.000 0.780 158 A CB -0.355 18.685 19.000 0.067 0.000 0.828 158 A HN 0.216 nan 8.150 nan 0.000 0.476 159 G N -0.758 108.074 108.800 0.053 0.000 2.246 159 G HA2 -0.227 3.733 3.960 0.000 0.000 0.273 159 G HA3 -0.227 3.733 3.960 0.000 0.000 0.273 159 G C -0.124 174.803 174.900 0.045 0.000 1.055 159 G CA 0.685 45.826 45.100 0.068 0.000 0.851 159 G HN 0.681 nan 8.290 nan 0.000 0.500 160 Q N -1.562 118.248 119.800 0.017 0.000 2.615 160 Q HA 0.780 5.120 4.340 0.000 0.000 0.298 160 Q C -0.178 175.829 176.000 0.013 0.000 1.023 160 Q CA -0.931 54.887 55.803 0.025 0.000 0.768 160 Q CB 2.130 30.890 28.738 0.037 0.000 1.500 160 Q HN 0.806 nan 8.270 nan 0.000 0.441 161 I N -2.456 118.130 120.570 0.026 0.000 2.828 161 I HA 0.942 5.112 4.170 0.000 0.000 0.302 161 I C -1.396 174.750 176.117 0.048 0.000 1.101 161 I CA -0.849 60.471 61.300 0.034 0.000 1.031 161 I CB 2.313 40.336 38.000 0.037 0.000 1.231 161 I HN 0.541 nan 8.210 nan 0.000 0.427 162 A N 5.847 128.703 122.820 0.060 0.000 2.355 162 A HA 0.823 5.144 4.320 0.000 0.000 0.317 162 A C -0.928 176.711 177.584 0.091 0.000 1.094 162 A CA -0.647 51.432 52.037 0.070 0.000 0.764 162 A CB 1.140 20.181 19.000 0.068 0.000 1.230 162 A HN 0.795 nan 8.150 nan 0.000 0.448 163 L N 3.063 124.340 121.223 0.090 0.000 2.255 163 L HA 0.408 4.748 4.340 0.000 0.000 0.289 163 L C -0.778 176.165 176.870 0.122 0.000 1.046 163 L CA -0.629 54.274 54.840 0.106 0.000 0.816 163 L CB 1.243 43.355 42.059 0.088 0.000 1.197 163 L HN 0.437 nan 8.230 nan 0.000 0.427 164 V N 2.611 122.622 119.914 0.161 0.000 2.398 164 V HA 0.150 4.271 4.120 0.000 0.000 0.286 164 V C 0.214 176.436 176.094 0.214 0.000 1.026 164 V CA -0.755 61.655 62.300 0.183 0.000 0.868 164 V CB 1.815 33.770 31.823 0.220 0.000 0.982 164 V HN 0.651 nan 8.190 nan 0.000 0.443 165 D N 3.810 124.324 120.400 0.190 0.000 2.401 165 D HA 0.052 4.692 4.640 0.000 0.000 0.254 165 D C 1.307 177.768 176.300 0.268 0.000 1.192 165 D CA 0.706 54.819 54.000 0.188 0.000 0.885 165 D CB 1.969 42.851 40.800 0.136 0.000 1.147 165 D HN 0.675 nan 8.370 nan 0.000 0.478 166 G N 4.123 113.095 108.800 0.287 0.000 2.440 166 G HA2 -0.278 3.682 3.960 0.000 0.000 0.218 166 G HA3 -0.278 3.682 3.960 0.000 0.000 0.218 166 G C 1.140 176.263 174.900 0.372 0.000 1.154 166 G CA 0.538 45.866 45.100 0.379 0.000 0.767 166 G HN 0.524 nan 8.290 nan 0.000 0.552 167 D N 0.097 120.633 120.400 0.226 0.000 2.183 167 D HA -0.046 4.594 4.640 0.000 0.000 0.205 167 D C 2.947 179.319 176.300 0.120 0.000 0.962 167 D CA 1.403 55.499 54.000 0.160 0.000 0.849 167 D CB -0.184 40.680 40.800 0.107 0.000 0.978 167 D HN 0.463 nan 8.370 nan 0.000 0.488 168 S N -0.045 115.723 115.700 0.113 0.000 2.470 168 S HA -0.032 4.439 4.470 0.000 0.000 0.225 168 S C 0.899 175.535 174.600 0.061 0.000 1.006 168 S CA 0.309 58.553 58.200 0.073 0.000 0.934 168 S CB 0.227 63.466 63.200 0.064 0.000 0.778 168 S HN -0.052 nan 8.310 nan 0.000 0.517 169 K N 0.191 120.655 120.400 0.107 0.000 3.192 169 K HA -0.096 4.224 4.320 0.000 0.000 0.278 169 K C -0.709 175.918 176.600 0.045 0.000 1.164 169 K CA 0.884 57.206 56.287 0.059 0.000 0.816 169 K CB -1.881 30.566 32.500 -0.089 0.000 1.256 169 K HN 0.599 nan 8.250 nan 0.000 0.497 170 K N -0.109 120.340 120.400 0.082 0.000 2.267 170 K HA 0.523 4.843 4.320 0.000 0.000 0.246 170 K C 0.000 176.651 176.600 0.084 0.000 0.954 170 K CA -0.964 55.361 56.287 0.062 0.000 0.824 170 K CB 1.583 34.111 32.500 0.048 0.000 1.167 170 K HN -0.014 nan 8.250 nan 0.000 0.431 171 I N 2.732 123.342 120.570 0.068 0.000 2.416 171 I HA -0.036 4.134 4.170 0.000 0.000 0.288 171 I C 1.019 177.175 176.117 0.066 0.000 1.051 171 I CA -0.106 61.237 61.300 0.073 0.000 1.375 171 I CB 1.076 39.112 38.000 0.060 0.000 1.407 171 I HN 0.461 nan 8.210 nan 0.000 0.516 172 V N 5.090 125.048 119.914 0.073 0.000 2.575 172 V HA 0.065 4.185 4.120 0.000 0.000 0.242 172 V C 0.460 176.589 176.094 0.058 0.000 1.045 172 V CA 1.068 63.407 62.300 0.065 0.000 1.065 172 V CB -0.267 31.599 31.823 0.073 0.000 0.717 172 V HN 0.706 nan 8.190 nan 0.000 0.467 173 K N -0.422 120.015 120.400 0.061 0.000 2.542 173 K HA 0.572 4.892 4.320 0.000 0.000 0.259 173 K C -1.795 174.838 176.600 0.056 0.000 0.932 173 K CA -0.308 56.013 56.287 0.055 0.000 0.820 173 K CB 2.338 34.871 32.500 0.056 0.000 1.345 173 K HN -0.137 nan 8.250 nan 0.000 0.432 174 V N 5.281 125.224 119.914 0.050 0.000 2.409 174 V HA 0.575 4.695 4.120 0.000 0.000 0.291 174 V C -0.347 175.774 176.094 0.045 0.000 1.020 174 V CA -0.661 61.668 62.300 0.048 0.000 0.848 174 V CB 1.241 33.091 31.823 0.045 0.000 0.990 174 V HN 0.653 nan 8.190 nan 0.000 0.430 175 I N 3.182 123.779 120.570 0.045 0.000 2.474 175 I HA 0.419 4.589 4.170 0.000 0.000 0.294 175 I C -0.469 175.672 176.117 0.041 0.000 1.005 175 I CA -0.722 60.604 61.300 0.043 0.000 1.113 175 I CB 2.058 40.084 38.000 0.044 0.000 1.289 175 I HN 0.472 nan 8.210 nan 0.000 0.436 176 D N 4.769 125.194 120.400 0.042 0.000 2.371 176 D HA 0.244 4.884 4.640 0.000 0.000 0.256 176 D C 0.344 176.670 176.300 0.043 0.000 1.193 176 D CA 0.378 54.404 54.000 0.044 0.000 0.881 176 D CB 1.280 42.107 40.800 0.045 0.000 1.143 176 D HN 0.680 nan 8.370 nan 0.000 0.473 177 T N -1.153 113.428 114.554 0.045 0.000 2.573 177 T HA 0.669 5.020 4.350 0.000 0.000 0.259 177 T C 0.608 175.341 174.700 0.054 0.000 0.886 177 T CA -0.917 61.207 62.100 0.040 0.000 1.110 177 T CB 0.801 69.683 68.868 0.025 0.000 1.421 177 T HN 0.193 nan 8.240 nan 0.000 0.523 178 G N -0.756 108.072 108.800 0.047 0.000 2.562 178 G HA2 0.448 4.408 3.960 0.000 0.000 0.275 178 G HA3 0.448 4.408 3.960 0.000 0.000 0.275 178 G C -1.242 173.716 174.900 0.097 0.000 1.196 178 G CA -0.669 44.473 45.100 0.070 0.000 0.908 178 G HN 0.682 nan 8.290 nan 0.000 0.524 179 Y N 1.077 121.387 120.300 0.016 0.000 2.465 179 Y HA 0.328 4.878 4.550 0.000 0.000 0.331 179 Y C 0.790 176.710 175.900 0.033 0.000 1.102 179 Y CA 0.277 58.393 58.100 0.027 0.000 1.358 179 Y CB 0.320 38.798 38.460 0.029 0.000 1.213 179 Y HN 1.287 nan 8.280 nan 0.000 0.525 180 A N 4.142 126.589 122.820 -0.622 0.000 2.183 180 A HA -0.153 4.167 4.320 0.000 0.000 0.278 180 A C -0.212 177.269 177.584 -0.173 0.000 1.404 180 A CA 0.526 52.279 52.037 -0.473 0.000 0.737 180 A CB -2.415 16.253 19.000 -0.555 0.000 1.172 180 A HN 0.677 nan 8.150 nan 0.000 0.338 181 V N 3.083 122.920 119.914 -0.129 0.000 2.557 181 V HA 0.001 4.122 4.120 0.000 0.000 0.301 181 V C 1.693 177.750 176.094 -0.061 0.000 1.026 181 V CA 1.358 63.623 62.300 -0.059 0.000 1.137 181 V CB 0.636 32.431 31.823 -0.046 0.000 0.917 181 V HN 0.871 nan 8.190 nan 0.000 0.484 182 H N 4.570 123.601 119.070 -0.066 0.000 2.344 182 H HA 0.316 4.872 4.556 0.000 0.000 0.307 182 H C 0.643 175.978 175.328 0.011 0.000 1.057 182 H CA 1.544 57.573 56.048 -0.031 0.000 1.373 182 H CB 0.425 30.158 29.762 -0.049 0.000 1.421 182 H HN 0.703 nan 8.280 nan 0.000 0.532 183 I N -3.052 117.524 120.570 0.011 0.000 3.174 183 I HA 0.576 4.746 4.170 0.000 0.000 0.313 183 I C -1.011 174.831 176.117 -0.458 0.000 1.155 183 I CA -1.040 60.109 61.300 -0.251 0.000 0.977 183 I CB 2.800 40.645 38.000 -0.258 0.000 1.248 183 I HN -0.227 nan 8.210 nan 0.000 0.453 184 S N 2.000 117.076 115.700 -1.040 0.000 2.532 184 S HA 0.689 5.160 4.470 0.000 0.000 0.299 184 S C -0.801 173.395 174.600 -0.674 0.000 1.105 184 S CA -0.783 57.021 58.200 -0.660 0.000 1.018 184 S CB 1.486 64.445 63.200 -0.401 0.000 1.021 184 S HN 0.453 nan 8.310 nan 0.000 0.483 185 R N 1.803 122.101 120.500 -0.336 0.000 2.744 185 R HA 0.549 4.889 4.340 0.000 0.000 0.279 185 R C -0.974 175.250 176.300 -0.126 0.000 0.977 185 R CA -0.787 55.179 56.100 -0.223 0.000 0.906 185 R CB 1.457 31.648 30.300 -0.180 0.000 1.197 185 R HN 0.488 nan 8.270 nan 0.000 0.463 186 M N 0.725 120.271 119.600 -0.089 0.000 2.528 186 M HA 0.323 4.803 4.480 0.000 0.000 0.318 186 M C 0.646 176.915 176.300 -0.052 0.000 1.195 186 M CA -0.626 54.636 55.300 -0.063 0.000 1.000 186 M CB 1.680 34.237 32.600 -0.072 0.000 1.615 186 M HN 0.674 nan 8.290 nan 0.000 0.469 187 S N 0.732 116.416 115.700 -0.027 0.000 2.617 187 S HA 0.501 4.971 4.470 0.000 0.000 0.269 187 S C 1.034 175.607 174.600 -0.044 0.000 1.292 187 S CA -0.180 58.014 58.200 -0.011 0.000 1.010 187 S CB 0.850 64.084 63.200 0.057 0.000 0.944 187 S HN 0.725 nan 8.310 nan 0.000 0.536 188 A N 1.346 124.147 122.820 -0.031 0.000 2.125 188 A HA 0.003 4.323 4.320 0.000 0.000 0.219 188 A C 2.208 179.766 177.584 -0.043 0.000 1.156 188 A CA 1.422 53.433 52.037 -0.043 0.000 0.671 188 A CB -1.251 17.748 19.000 -0.002 0.000 0.794 188 A HN 1.206 nan 8.150 nan 0.000 0.459 189 S N -2.301 113.375 115.700 -0.041 0.000 2.501 189 S HA 0.359 4.829 4.470 0.000 0.000 0.220 189 S C 1.520 176.087 174.600 -0.055 0.000 0.997 189 S CA 1.033 59.204 58.200 -0.047 0.000 0.919 189 S CB -0.260 62.882 63.200 -0.097 0.000 0.778 189 S HN 1.825 nan 8.310 nan 0.000 0.523 190 G N 1.792 110.544 108.800 -0.081 0.000 2.143 190 G HA2 -0.327 3.633 3.960 0.000 0.000 0.249 190 G HA3 -0.327 3.633 3.960 0.000 0.000 0.249 190 G C 0.767 175.593 174.900 -0.122 0.000 0.981 190 G CA 0.484 45.551 45.100 -0.055 0.000 0.665 190 G HN 0.597 nan 8.290 nan 0.000 0.528 191 R N -1.086 119.211 120.500 -0.337 0.000 2.123 191 R HA 0.275 4.615 4.340 0.000 0.000 0.209 191 R C 0.161 176.069 176.300 -0.653 0.000 1.078 191 R CA 0.320 55.965 56.100 -0.759 0.000 1.028 191 R CB 0.191 29.605 30.300 -1.477 0.000 0.939 191 R HN 0.337 nan 8.270 nan 0.000 0.463 192 Y N 1.075 121.231 120.300 -0.240 0.000 2.328 192 Y HA 0.303 4.853 4.550 0.000 0.000 0.337 192 Y C -0.362 175.473 175.900 -0.107 0.000 1.008 192 Y CA -1.064 56.941 58.100 -0.158 0.000 1.129 192 Y CB 1.486 39.857 38.460 -0.147 0.000 1.185 192 Y HN 0.015 nan 8.280 nan 0.000 0.476 193 L N 5.209 126.481 121.223 0.081 0.000 2.289 193 L HA 0.581 4.922 4.340 0.000 0.000 0.285 193 L C -1.362 175.520 176.870 0.020 0.000 1.049 193 L CA -0.413 54.442 54.840 0.024 0.000 0.804 193 L CB 0.549 42.618 42.059 0.016 0.000 1.195 193 L HN 0.561 nan 8.230 nan 0.000 0.428 194 L N 6.489 127.694 121.223 -0.029 0.000 2.325 194 L HA 0.677 5.017 4.340 0.000 0.000 0.281 194 L C -0.721 176.098 176.870 -0.085 0.000 1.004 194 L CA -0.895 53.914 54.840 -0.050 0.000 0.823 194 L CB 1.826 43.844 42.059 -0.069 0.000 1.236 194 L HN 0.532 nan 8.230 nan 0.000 0.415 195 V N 1.683 121.559 119.914 -0.062 0.000 2.769 195 V HA 0.683 4.803 4.120 0.000 0.000 0.312 195 V C -0.682 175.378 176.094 -0.057 0.000 1.061 195 V CA -0.718 61.538 62.300 -0.073 0.000 0.931 195 V CB 2.381 34.178 31.823 -0.043 0.000 1.010 195 V HN 0.690 nan 8.190 nan 0.000 0.433 196 I N 2.567 123.098 120.570 -0.064 0.000 2.533 196 I HA 0.822 4.992 4.170 0.000 0.000 0.290 196 I C 0.554 176.655 176.117 -0.027 0.000 1.056 196 I CA -0.315 60.956 61.300 -0.048 0.000 1.057 196 I CB 1.706 39.664 38.000 -0.070 0.000 1.240 196 I HN 1.004 nan 8.210 nan 0.000 0.423 197 G N 5.015 113.806 108.800 -0.016 0.000 2.528 197 G HA2 0.277 4.237 3.960 0.000 0.000 0.289 197 G HA3 0.277 4.237 3.960 0.000 0.000 0.289 197 G C 0.601 175.500 174.900 -0.002 0.000 1.192 197 G CA -0.703 44.397 45.100 0.001 0.000 0.921 197 G HN 0.848 nan 8.290 nan 0.000 0.512 198 R N -0.900 119.617 120.500 0.028 0.000 2.235 198 R HA -0.015 4.325 4.340 0.000 0.000 0.213 198 R C 0.821 177.124 176.300 0.005 0.000 1.059 198 R CA 1.456 57.560 56.100 0.006 0.000 0.997 198 R CB -0.088 30.255 30.300 0.072 0.000 0.884 198 R HN 0.458 nan 8.270 nan 0.000 0.462 199 D N 0.691 121.113 120.400 0.037 0.000 2.336 199 D HA 0.101 4.741 4.640 0.000 0.000 0.229 199 D C 0.737 176.987 176.300 -0.084 0.000 1.061 199 D CA 0.466 54.467 54.000 0.002 0.000 0.875 199 D CB 0.433 41.262 40.800 0.048 0.000 0.904 199 D HN 0.320 nan 8.370 nan 0.000 0.525 200 A N -0.164 122.606 122.820 -0.083 0.000 2.887 200 A HA -0.289 4.031 4.320 0.000 0.000 0.257 200 A C 0.634 178.167 177.584 -0.085 0.000 1.372 200 A CA 0.836 52.805 52.037 -0.115 0.000 0.879 200 A CB -2.478 16.408 19.000 -0.191 0.000 1.082 200 A HN 0.483 nan 8.150 nan 0.000 0.703 201 R N 0.174 120.648 120.500 -0.043 0.000 2.254 201 R HA 0.652 4.992 4.340 0.000 0.000 0.318 201 R C -0.345 175.957 176.300 0.002 0.000 1.031 201 R CA -0.490 55.608 56.100 -0.003 0.000 0.905 201 R CB 0.299 30.611 30.300 0.020 0.000 1.050 201 R HN 0.511 nan 8.270 nan 0.000 0.456 202 I N 3.644 124.224 120.570 0.016 0.000 2.412 202 I HA 0.283 4.453 4.170 0.000 0.000 0.296 202 I C -0.337 175.795 176.117 0.024 0.000 0.987 202 I CA -0.625 60.679 61.300 0.006 0.000 1.180 202 I CB 1.922 39.921 38.000 -0.001 0.000 1.340 202 I HN 0.491 nan 8.210 nan 0.000 0.455 203 D N 7.021 127.428 120.400 0.012 0.000 2.649 203 D HA 0.365 5.005 4.640 0.000 0.000 0.249 203 D C -0.945 175.363 176.300 0.013 0.000 1.112 203 D CA -0.406 53.607 54.000 0.022 0.000 0.850 203 D CB 3.027 43.842 40.800 0.025 0.000 1.399 203 D HN 0.386 nan 8.370 nan 0.000 0.503 204 M N 3.460 123.072 119.600 0.020 0.000 2.149 204 M HA 0.423 4.904 4.480 0.000 0.000 0.342 204 M C -1.500 174.841 176.300 0.069 0.000 1.068 204 M CA -0.485 54.825 55.300 0.016 0.000 0.991 204 M CB 0.839 33.412 32.600 -0.044 0.000 1.596 204 M HN 0.299 nan 8.290 nan 0.000 0.439 205 I N 3.881 124.514 120.570 0.106 0.000 2.378 205 I HA 0.258 4.428 4.170 0.000 0.000 0.291 205 I C -0.568 175.651 176.117 0.169 0.000 0.992 205 I CA -0.695 60.676 61.300 0.119 0.000 1.154 205 I CB 1.638 39.681 38.000 0.071 0.000 1.315 205 I HN 0.546 nan 8.210 nan 0.000 0.448 206 D N 6.552 127.046 120.400 0.155 0.000 2.339 206 D HA 0.216 4.856 4.640 0.000 0.000 0.241 206 D C 0.694 176.990 176.300 -0.005 0.000 1.183 206 D CA 0.002 54.015 54.000 0.021 0.000 0.859 206 D CB 1.093 41.951 40.800 0.097 0.000 1.067 206 D HN 0.443 nan 8.370 nan 0.000 0.484 207 L N 2.917 124.094 121.223 -0.077 0.000 2.610 207 L HA 0.042 4.382 4.340 0.000 0.000 0.232 207 L C 1.059 178.072 176.870 0.238 0.000 1.149 207 L CA -0.004 54.871 54.840 0.058 0.000 0.872 207 L CB 0.020 42.105 42.059 0.043 0.000 0.992 207 L HN 0.489 nan 8.230 nan 0.000 0.447 208 W N 0.488 121.727 121.300 -0.102 0.000 2.942 208 W HA 0.290 4.950 4.660 0.000 0.000 0.263 208 W C 1.395 177.891 176.519 -0.038 0.000 1.296 208 W CA -0.960 56.338 57.345 -0.078 0.000 1.504 208 W CB -0.439 28.952 29.460 -0.115 0.000 1.096 208 W HN -0.067 nan 8.180 nan 0.000 0.639 209 A N 0.843 123.774 122.820 0.184 0.000 2.406 209 A HA 0.079 4.399 4.320 0.000 0.000 0.243 209 A C 1.582 179.215 177.584 0.082 0.000 1.082 209 A CA 0.013 52.119 52.037 0.115 0.000 0.786 209 A CB 0.472 19.529 19.000 0.095 0.000 1.029 209 A HN 0.243 nan 8.150 nan 0.000 0.495 210 K N -0.172 120.262 120.400 0.056 0.000 2.144 210 K HA -0.184 4.137 4.320 0.000 0.000 0.209 210 K C 0.511 177.137 176.600 0.042 0.000 1.047 210 K CA 1.979 58.289 56.287 0.038 0.000 0.927 210 K CB 0.053 32.571 32.500 0.030 0.000 0.716 210 K HN 0.775 nan 8.250 nan 0.000 0.454 211 E N 0.189 120.419 120.200 0.050 0.000 2.263 211 E HA 0.221 4.571 4.350 0.000 0.000 0.268 211 E C -2.780 173.856 176.600 0.060 0.000 0.884 211 E CA -2.649 53.781 56.400 0.051 0.000 0.766 211 E CB 2.061 31.787 29.700 0.043 0.000 1.196 211 E HN -0.230 nan 8.360 nan 0.000 0.416 212 P HA -0.047 nan 4.420 nan 0.000 0.258 212 P C -0.963 176.375 177.300 0.063 0.000 1.187 212 P CA 0.570 63.711 63.100 0.068 0.000 0.767 212 P CB 0.363 32.103 31.700 0.066 0.000 0.770 213 T N 0.588 115.183 114.554 0.069 0.000 2.930 213 T HA 0.486 4.836 4.350 0.000 0.000 0.290 213 T C -0.328 174.415 174.700 0.072 0.000 1.052 213 T CA -1.275 60.863 62.100 0.064 0.000 1.017 213 T CB 1.488 70.392 68.868 0.059 0.000 1.137 213 T HN 0.047 nan 8.240 nan 0.000 0.511 214 K N 1.287 121.723 120.400 0.060 0.000 2.322 214 K HA 0.377 4.697 4.320 0.000 0.000 0.283 214 K C 1.079 177.713 176.600 0.057 0.000 1.042 214 K CA -0.449 55.873 56.287 0.058 0.000 0.958 214 K CB 1.237 33.764 32.500 0.044 0.000 0.984 214 K HN 0.553 nan 8.250 nan 0.000 0.473 215 V N -0.812 119.140 119.914 0.064 0.000 3.621 215 V HA 0.429 4.549 4.120 0.000 0.000 0.263 215 V C 0.301 176.408 176.094 0.020 0.000 1.272 215 V CA 0.208 62.540 62.300 0.052 0.000 1.080 215 V CB 0.063 31.940 31.823 0.089 0.000 0.816 215 V HN 0.690 nan 8.190 nan 0.000 0.451 216 A N 0.795 123.630 122.820 0.025 0.000 2.597 216 A HA 0.757 5.078 4.320 0.000 0.000 0.292 216 A C -1.107 176.514 177.584 0.061 0.000 1.057 216 A CA -0.089 51.972 52.037 0.038 0.000 0.674 216 A CB 1.381 20.431 19.000 0.084 0.000 1.278 216 A HN 0.738 nan 8.150 nan 0.000 0.416 217 E N 0.394 120.651 120.200 0.094 0.000 2.392 217 E HA 0.842 5.192 4.350 0.000 0.000 0.279 217 E C -1.366 175.350 176.600 0.194 0.000 0.964 217 E CA -0.708 55.758 56.400 0.110 0.000 0.777 217 E CB 2.049 31.791 29.700 0.071 0.000 1.249 217 E HN 1.189 nan 8.360 nan 0.000 0.449 218 I N 0.298 120.974 120.570 0.176 0.000 2.947 218 I HA 0.405 4.575 4.170 0.000 0.000 0.301 218 I C -2.042 174.173 176.117 0.163 0.000 1.453 218 I CA -0.819 60.614 61.300 0.222 0.000 0.984 218 I CB 2.239 40.380 38.000 0.235 0.000 1.333 218 I HN 0.662 nan 8.210 nan 0.000 0.475 219 K N 5.755 126.291 120.400 0.227 0.000 2.425 219 K HA 0.416 4.736 4.320 0.000 0.000 0.259 219 K C 0.243 176.985 176.600 0.236 0.000 0.978 219 K CA -0.534 55.840 56.287 0.145 0.000 0.883 219 K CB 1.088 33.665 32.500 0.129 0.000 1.110 219 K HN 0.603 nan 8.250 nan 0.000 0.436 220 I N 0.289 120.888 120.570 0.048 0.000 3.684 220 I HA 0.369 4.539 4.170 0.000 0.000 0.304 220 I C 0.526 176.595 176.117 -0.080 0.000 1.278 220 I CA -0.028 61.323 61.300 0.085 0.000 1.272 220 I CB 0.606 38.625 38.000 0.032 0.000 1.029 220 I HN 0.594 nan 8.210 nan 0.000 0.458 221 G N 0.186 108.647 108.800 -0.565 0.000 2.348 221 G HA2 0.283 4.243 3.960 0.000 0.000 0.296 221 G HA3 0.283 4.243 3.960 0.000 0.000 0.296 221 G C -0.233 174.202 174.900 -0.774 0.000 1.258 221 G CA -0.243 44.462 45.100 -0.657 0.000 0.868 221 G HN -0.098 nan 8.290 nan 0.000 0.488 222 I N -0.154 120.207 120.570 -0.348 0.000 2.867 222 I HA 0.282 4.452 4.170 0.000 0.000 0.265 222 I C 0.856 176.934 176.117 -0.065 0.000 1.162 222 I CA 1.120 62.307 61.300 -0.188 0.000 1.471 222 I CB -0.010 38.057 38.000 0.112 0.000 1.123 222 I HN 0.593 nan 8.210 nan 0.000 0.440 223 E N 0.472 120.680 120.200 0.014 0.000 2.290 223 E HA 0.671 5.021 4.350 0.000 0.000 0.274 223 E C -1.479 175.107 176.600 -0.023 0.000 0.889 223 E CA -0.431 55.991 56.400 0.037 0.000 0.760 223 E CB 2.743 32.551 29.700 0.180 0.000 1.206 223 E HN 0.148 nan 8.360 nan 0.000 0.419 224 A N 3.181 125.913 122.820 -0.147 0.000 2.583 224 A HA 0.711 5.031 4.320 0.000 0.000 0.289 224 A C -0.467 176.896 177.584 -0.369 0.000 1.151 224 A CA -0.571 51.336 52.037 -0.216 0.000 0.695 224 A CB 1.645 20.569 19.000 -0.127 0.000 1.290 224 A HN 0.586 nan 8.150 nan 0.000 0.419 225 R N -0.562 119.723 120.500 -0.358 0.000 2.663 225 R HA 0.286 4.626 4.340 0.000 0.000 0.199 225 R C 0.429 176.613 176.300 -0.193 0.000 0.870 225 R CA 0.747 56.611 56.100 -0.393 0.000 1.040 225 R CB 0.142 30.091 30.300 -0.585 0.000 1.524 225 R HN 0.632 nan 8.270 nan 0.000 0.643 226 S N 0.495 116.102 115.700 -0.154 0.000 2.537 226 S HA 0.677 5.147 4.470 0.000 0.000 0.301 226 S C -1.155 173.358 174.600 -0.146 0.000 1.092 226 S CA -0.494 57.627 58.200 -0.132 0.000 1.048 226 S CB 1.630 64.753 63.200 -0.129 0.000 1.053 226 S HN -0.044 nan 8.310 nan 0.000 0.501 227 V N 2.735 122.552 119.914 -0.162 0.000 2.888 227 V HA 0.852 4.972 4.120 0.000 0.000 0.309 227 V C -1.433 174.542 176.094 -0.199 0.000 1.114 227 V CA -0.379 61.813 62.300 -0.179 0.000 0.940 227 V CB 2.217 33.953 31.823 -0.144 0.000 1.021 227 V HN 1.011 nan 8.190 nan 0.000 0.426 228 E N 2.946 123.003 120.200 -0.238 0.000 2.392 228 E HA 0.692 5.043 4.350 0.000 0.000 0.279 228 E C -1.672 174.847 176.600 -0.135 0.000 0.964 228 E CA -0.247 56.039 56.400 -0.190 0.000 0.777 228 E CB 2.475 32.049 29.700 -0.210 0.000 1.249 228 E HN 0.723 nan 8.360 nan 0.000 0.449 229 S N 0.852 116.573 115.700 0.034 0.000 2.568 229 S HA 0.602 5.072 4.470 0.000 0.000 0.302 229 S C -0.969 173.792 174.600 0.267 0.000 1.082 229 S CA -0.357 57.918 58.200 0.124 0.000 1.009 229 S CB 0.748 63.964 63.200 0.025 0.000 1.069 229 S HN 0.621 nan 8.310 nan 0.000 0.500 230 S N 2.771 118.572 115.700 0.169 0.000 2.516 230 S HA 0.294 4.764 4.470 0.000 0.000 0.282 230 S C 0.181 174.788 174.600 0.012 0.000 1.286 230 S CA -0.259 57.877 58.200 -0.108 0.000 1.066 230 S CB 0.477 63.413 63.200 -0.441 0.000 0.884 230 S HN 0.752 nan 8.310 nan 0.000 0.491 231 K N 1.077 121.489 120.400 0.020 0.000 2.402 231 K HA 0.229 4.549 4.320 0.000 0.000 0.204 231 K C -0.378 176.267 176.600 0.076 0.000 1.056 231 K CA -0.311 55.979 56.287 0.004 0.000 1.069 231 K CB 0.320 32.743 32.500 -0.128 0.000 0.888 231 K HN 0.654 nan 8.250 nan 0.000 0.546 232 F N 3.179 123.140 119.950 0.017 0.000 2.471 232 F HA 0.097 4.624 4.527 -0.000 0.000 0.353 232 F C 0.415 176.338 175.800 0.206 0.000 1.113 232 F CA -0.659 57.381 58.000 0.066 0.000 1.262 232 F CB 0.568 39.557 39.000 -0.018 0.000 1.146 232 F HN -0.279 nan 8.300 nan 0.000 0.578 233 K N 4.307 124.380 120.400 -0.546 0.000 2.504 233 K HA 0.142 4.462 4.320 0.000 0.000 0.278 233 K C 0.950 177.458 176.600 -0.153 0.000 1.025 233 K CA 1.002 57.069 56.287 -0.366 0.000 1.093 233 K CB -0.477 31.722 32.500 -0.502 0.000 0.873 233 K HN 1.022 nan 8.250 nan 0.000 0.483 234 G N 2.875 111.639 108.800 -0.061 0.000 2.175 234 G HA2 -0.282 3.678 3.960 0.000 0.000 0.244 234 G HA3 -0.282 3.678 3.960 0.000 0.000 0.244 234 G C 0.042 174.792 174.900 -0.251 0.000 0.982 234 G CA -0.098 44.918 45.100 -0.140 0.000 0.641 234 G HN 0.579 nan 8.290 nan 0.000 0.527 235 Y N 1.279 121.619 120.300 0.067 0.000 2.716 235 Y HA 0.388 4.938 4.550 -0.000 0.000 0.260 235 Y C 0.893 176.774 175.900 -0.033 0.000 1.141 235 Y CA -0.785 57.350 58.100 0.059 0.000 1.168 235 Y CB 0.468 39.064 38.460 0.226 0.000 1.189 235 Y HN 0.298 nan 8.280 nan 0.000 0.549 236 E N 1.600 121.834 120.200 0.057 0.000 2.417 236 E HA -0.072 4.278 4.350 0.000 0.000 0.261 236 E C -0.170 176.413 176.600 -0.028 0.000 1.000 236 E CA 0.501 56.909 56.400 0.013 0.000 0.919 236 E CB 0.235 29.935 29.700 -0.000 0.000 0.955 236 E HN 0.348 nan 8.360 nan 0.000 0.455 237 D N 2.111 122.491 120.400 -0.035 0.000 2.983 237 D HA -0.236 4.404 4.640 0.000 0.000 0.225 237 D C 0.894 177.098 176.300 -0.160 0.000 1.174 237 D CA 0.644 54.601 54.000 -0.072 0.000 0.831 237 D CB -0.337 40.443 40.800 -0.034 0.000 1.104 237 D HN 0.457 nan 8.370 nan 0.000 0.421 238 R N -0.883 119.490 120.500 -0.211 0.000 2.055 238 R HA 0.022 4.362 4.340 0.000 0.000 0.226 238 R C 0.609 176.469 176.300 -0.734 0.000 1.135 238 R CA 1.275 57.084 56.100 -0.485 0.000 0.959 238 R CB 0.058 30.076 30.300 -0.470 0.000 0.854 238 R HN 0.286 nan 8.270 nan 0.000 0.431 239 Y N -1.081 119.151 120.300 -0.114 0.000 2.545 239 Y HA 0.365 4.915 4.550 -0.001 0.000 0.348 239 Y C -0.264 175.633 175.900 -0.005 0.000 1.002 239 Y CA -0.830 57.222 58.100 -0.080 0.000 1.039 239 Y CB 2.119 40.511 38.460 -0.114 0.000 1.271 239 Y HN -0.256 nan 8.280 nan 0.000 0.467 240 T N 3.887 118.516 114.554 0.124 0.000 2.848 240 T HA 0.585 4.935 4.350 0.000 0.000 0.285 240 T C -1.099 173.501 174.700 -0.167 0.000 0.995 240 T CA -0.490 61.588 62.100 -0.037 0.000 0.970 240 T CB 1.050 69.878 68.868 -0.067 0.000 0.976 240 T HN 0.559 nan 8.240 nan 0.000 0.441 241 I N 2.355 122.665 120.570 -0.433 0.000 2.603 241 I HA 0.826 4.996 4.170 0.000 0.000 0.300 241 I C -1.028 174.878 176.117 -0.352 0.000 1.017 241 I CA -0.867 60.122 61.300 -0.518 0.000 1.098 241 I CB 1.332 38.642 38.000 -1.151 0.000 1.279 241 I HN 0.759 nan 8.210 nan 0.000 0.437 242 A N 4.443 127.138 122.820 -0.208 0.000 2.486 242 A HA 0.797 5.118 4.320 0.000 0.000 0.300 242 A C -0.741 176.805 177.584 -0.064 0.000 1.048 242 A CA -0.447 51.506 52.037 -0.139 0.000 0.696 242 A CB 1.578 20.523 19.000 -0.091 0.000 1.278 242 A HN 0.823 nan 8.150 nan 0.000 0.405 243 G N 0.200 108.960 108.800 -0.067 0.000 2.415 243 G HA2 0.726 4.686 3.960 0.000 0.000 0.327 243 G HA3 0.726 4.686 3.960 0.000 0.000 0.327 243 G C -0.266 174.647 174.900 0.023 0.000 1.182 243 G CA 0.207 45.312 45.100 0.009 0.000 0.924 243 G HN 1.518 nan 8.290 nan 0.000 0.470 244 A N 1.561 124.422 122.820 0.069 0.000 2.337 244 A HA 0.701 5.022 4.320 0.000 0.000 0.331 244 A C -0.054 177.664 177.584 0.224 0.000 1.137 244 A CA -0.640 51.443 52.037 0.076 0.000 0.807 244 A CB 1.185 20.183 19.000 -0.003 0.000 1.250 244 A HN 0.656 nan 8.150 nan 0.000 0.468 245 Y N -0.042 120.270 120.300 0.020 0.000 2.230 245 Y HA 0.140 4.690 4.550 0.000 0.000 0.294 245 Y C 0.669 176.665 175.900 0.161 0.000 1.120 245 Y CA 0.311 58.468 58.100 0.096 0.000 1.129 245 Y CB 0.213 38.752 38.460 0.132 0.000 1.040 245 Y HN 0.686 nan 8.280 nan 0.000 0.519 246 W N 2.348 123.772 121.300 0.206 0.000 2.715 246 W HA 0.333 4.993 4.660 0.001 0.000 0.331 246 W C -3.082 173.482 176.519 0.074 0.000 1.031 246 W CA -2.381 55.044 57.345 0.134 0.000 1.237 246 W CB 1.898 31.445 29.460 0.146 0.000 1.378 246 W HN -0.098 nan 8.180 nan 0.000 0.454 247 P HA 0.140 nan 4.420 nan 0.000 0.272 247 P C -2.514 174.445 177.300 -0.568 0.000 1.230 247 P CA -0.934 61.440 63.100 -1.209 0.000 0.788 247 P CB 0.336 31.591 31.700 -0.742 0.000 0.949 248 P HA 0.050 nan 4.420 nan 0.000 0.266 248 P C -0.705 176.501 177.300 -0.157 0.000 1.419 248 P CA 0.538 63.521 63.100 -0.196 0.000 1.112 248 P CB -0.347 31.273 31.700 -0.133 0.000 1.438 249 Q N 2.581 122.320 119.800 -0.100 0.000 2.738 249 Q HA 0.632 4.972 4.340 0.000 0.000 0.301 249 Q C -1.517 174.495 176.000 0.021 0.000 0.901 249 Q CA -1.014 54.722 55.803 -0.111 0.000 0.756 249 Q CB 1.164 29.798 28.738 -0.174 0.000 1.463 249 Q HN 0.201 nan 8.270 nan 0.000 0.432 250 F N -1.250 118.656 119.950 -0.073 0.000 2.603 250 F HA 0.984 5.511 4.527 -0.000 0.000 0.317 250 F C -1.508 174.240 175.800 -0.086 0.000 1.066 250 F CA -0.902 57.045 58.000 -0.088 0.000 0.941 250 F CB 1.925 40.861 39.000 -0.107 0.000 1.291 250 F HN 0.814 nan 8.300 nan 0.000 0.472 251 A N 2.720 125.651 122.820 0.185 0.000 2.374 251 A HA 0.787 5.107 4.320 0.000 0.000 0.305 251 A C -1.334 176.288 177.584 0.062 0.000 1.053 251 A CA -0.713 51.363 52.037 0.065 0.000 0.726 251 A CB 0.935 19.942 19.000 0.012 0.000 1.229 251 A HN 0.792 nan 8.150 nan 0.000 0.431 252 I N 2.491 123.089 120.570 0.046 0.000 2.336 252 I HA 0.464 4.635 4.170 0.000 0.000 0.292 252 I C -0.070 176.038 176.117 -0.016 0.000 0.991 252 I CA 0.012 61.318 61.300 0.011 0.000 1.227 252 I CB 1.576 39.592 38.000 0.026 0.000 1.366 252 I HN 0.672 nan 8.210 nan 0.000 0.466 253 M N 4.091 123.691 119.600 0.001 0.000 2.727 253 M HA 0.336 4.817 4.480 0.000 0.000 0.300 253 M C -0.436 175.908 176.300 0.074 0.000 1.246 253 M CA -0.763 54.522 55.300 -0.025 0.000 0.835 253 M CB 1.808 34.357 32.600 -0.084 0.000 1.755 253 M HN 0.437 nan 8.290 nan 0.000 0.473 254 D N 0.606 121.000 120.400 -0.009 0.000 2.383 254 D HA 0.077 4.717 4.640 0.000 0.000 0.252 254 D C 0.713 176.967 176.300 -0.076 0.000 1.166 254 D CA 0.276 54.265 54.000 -0.018 0.000 0.879 254 D CB 1.476 42.236 40.800 -0.066 0.000 1.164 254 D HN 0.836 nan 8.370 nan 0.000 0.462 255 G N 3.424 112.143 108.800 -0.136 0.000 2.776 255 G HA2 -0.146 3.814 3.960 0.000 0.000 0.209 255 G HA3 -0.146 3.814 3.960 0.000 0.000 0.209 255 G C 1.147 175.906 174.900 -0.235 0.000 1.145 255 G CA 0.212 45.213 45.100 -0.164 0.000 0.791 255 G HN 0.506 nan 8.290 nan 0.000 0.530 256 E N -0.291 119.787 120.200 -0.203 0.000 2.256 256 E HA -0.026 4.324 4.350 0.000 0.000 0.198 256 E C 2.562 179.057 176.600 -0.176 0.000 0.908 256 E CA 1.420 57.677 56.400 -0.239 0.000 0.915 256 E CB 0.201 29.824 29.700 -0.129 0.000 0.890 256 E HN 0.502 nan 8.360 nan 0.000 0.484 257 T N -2.185 112.343 114.554 -0.043 0.000 2.971 257 T HA 0.237 4.587 4.350 0.000 0.000 0.252 257 T C 1.163 176.013 174.700 0.250 0.000 1.022 257 T CA -0.145 62.029 62.100 0.122 0.000 0.980 257 T CB 0.468 69.496 68.868 0.266 0.000 1.044 257 T HN 0.116 nan 8.240 nan 0.000 0.501 258 L N 0.428 121.684 121.223 0.054 0.000 4.406 258 L HA -0.132 4.208 4.340 0.000 0.000 0.406 258 L C 0.194 176.865 176.870 -0.331 0.000 1.133 258 L CA 0.261 55.093 54.840 -0.014 0.000 0.974 258 L CB -1.823 40.300 42.059 0.106 0.000 2.152 258 L HN 0.557 nan 8.230 nan 0.000 0.736 259 E N 3.782 123.677 120.200 -0.508 0.000 2.351 259 E HA 0.117 4.467 4.350 0.000 0.000 0.266 259 E C -1.865 174.351 176.600 -0.640 0.000 1.031 259 E CA -1.421 54.317 56.400 -1.104 0.000 0.911 259 E CB 0.748 29.965 29.700 -0.805 0.000 0.986 259 E HN 0.077 nan 8.360 nan 0.000 0.446 260 P HA -0.030 nan 4.420 nan 0.000 0.270 260 P C -0.582 176.578 177.300 -0.233 0.000 1.242 260 P CA 0.000 62.912 63.100 -0.313 0.000 0.768 260 P CB 1.123 32.680 31.700 -0.239 0.000 0.820 261 K N 1.841 122.153 120.400 -0.146 0.000 2.225 261 K HA 0.161 4.481 4.320 0.000 0.000 0.204 261 K C 0.793 177.343 176.600 -0.083 0.000 1.047 261 K CA 0.957 57.186 56.287 -0.097 0.000 0.970 261 K CB 0.239 32.712 32.500 -0.046 0.000 0.939 261 K HN 0.487 nan 8.250 nan 0.000 0.472 262 Q N 0.155 119.909 119.800 -0.077 0.000 2.359 262 Q HA 0.495 4.835 4.340 0.000 0.000 0.274 262 Q C -0.923 175.014 176.000 -0.105 0.000 1.074 262 Q CA -0.369 55.383 55.803 -0.084 0.000 0.810 262 Q CB 2.700 31.396 28.738 -0.069 0.000 1.342 262 Q HN 0.087 nan 8.270 nan 0.000 0.427 263 I N 1.080 121.561 120.570 -0.149 0.000 2.498 263 I HA 0.554 4.724 4.170 0.000 0.000 0.290 263 I C -0.592 175.335 176.117 -0.316 0.000 1.032 263 I CA -1.016 60.161 61.300 -0.205 0.000 1.073 263 I CB 2.197 40.116 38.000 -0.135 0.000 1.251 263 I HN 0.123 nan 8.210 nan 0.000 0.426 264 V N 4.142 123.710 119.914 -0.577 0.000 2.531 264 V HA 0.351 4.471 4.120 0.000 0.000 0.301 264 V C 0.073 175.823 176.094 -0.574 0.000 1.034 264 V CA -0.650 61.258 62.300 -0.655 0.000 0.865 264 V CB 1.925 33.122 31.823 -1.042 0.000 0.995 264 V HN 0.806 nan 8.190 nan 0.000 0.424 265 S N 2.627 118.139 115.700 -0.313 0.000 2.565 265 S HA 0.224 4.694 4.470 0.000 0.000 0.276 265 S C 1.108 175.625 174.600 -0.139 0.000 1.326 265 S CA 0.337 58.419 58.200 -0.197 0.000 1.045 265 S CB 1.034 64.165 63.200 -0.114 0.000 0.918 265 S HN 1.056 nan 8.310 nan 0.000 0.505 266 T N 1.900 116.405 114.554 -0.082 0.000 3.092 266 T HA 0.330 4.680 4.350 0.000 0.000 0.258 266 T C 0.390 175.081 174.700 -0.014 0.000 1.031 266 T CA -0.395 61.696 62.100 -0.015 0.000 0.925 266 T CB -0.156 68.731 68.868 0.031 0.000 1.036 266 T HN 0.563 nan 8.240 nan 0.000 0.544 267 R N 1.264 121.765 120.500 0.001 0.000 2.421 267 R HA 0.568 4.908 4.340 0.000 0.000 0.305 267 R C 0.795 177.169 176.300 0.124 0.000 1.039 267 R CA 0.576 56.706 56.100 0.050 0.000 1.003 267 R CB 0.497 30.886 30.300 0.147 0.000 0.959 267 R HN 0.560 nan 8.270 nan 0.000 0.427 268 G N 1.708 110.540 108.800 0.052 0.000 2.500 268 G HA2 0.259 4.220 3.960 0.000 0.000 0.299 268 G HA3 0.259 4.220 3.960 0.000 0.000 0.299 268 G C -1.394 173.554 174.900 0.080 0.000 1.242 268 G CA -0.849 44.336 45.100 0.143 0.000 0.859 268 G HN 0.213 nan 8.290 nan 0.000 0.481 269 M N 2.002 121.661 119.600 0.098 0.000 2.249 269 M HA 0.377 4.857 4.480 0.000 0.000 0.351 269 M C 0.936 177.239 176.300 0.005 0.000 1.180 269 M CA -0.676 54.666 55.300 0.069 0.000 1.127 269 M CB 0.513 33.158 32.600 0.075 0.000 1.546 269 M HN 0.759 nan 8.290 nan 0.000 0.461 270 T N -1.151 113.399 114.554 -0.006 0.000 2.860 270 T HA 0.290 4.641 4.350 0.000 0.000 0.299 270 T C 1.111 175.788 174.700 -0.038 0.000 1.045 270 T CA -0.784 61.289 62.100 -0.044 0.000 1.071 270 T CB 1.297 70.142 68.868 -0.039 0.000 0.985 270 T HN 0.477 nan 8.240 nan 0.000 0.537 271 V N 1.377 121.255 119.914 -0.060 0.000 2.407 271 V HA -0.067 4.054 4.120 0.000 0.000 0.245 271 V C 2.208 178.283 176.094 -0.031 0.000 1.041 271 V CA 2.370 64.644 62.300 -0.044 0.000 1.040 271 V CB -0.782 31.009 31.823 -0.054 0.000 0.671 271 V HN 1.067 nan 8.190 nan 0.000 0.455 272 D N 0.131 120.510 120.400 -0.036 0.000 2.087 272 D HA -0.173 4.467 4.640 0.000 0.000 0.201 272 D C 2.016 178.313 176.300 -0.005 0.000 0.980 272 D CA 2.501 56.490 54.000 -0.018 0.000 0.849 272 D CB -1.349 39.442 40.800 -0.015 0.000 1.001 272 D HN 0.533 nan 8.370 nan 0.000 0.452 273 T N -3.657 110.896 114.554 -0.002 0.000 3.067 273 T HA 0.014 4.364 4.350 0.000 0.000 0.261 273 T C 0.768 175.475 174.700 0.011 0.000 1.110 273 T CA 0.410 62.515 62.100 0.008 0.000 1.113 273 T CB -0.538 68.338 68.868 0.015 0.000 0.917 273 T HN 0.335 nan 8.240 nan 0.000 0.499 274 Q N 1.847 121.652 119.800 0.009 0.000 2.463 274 Q HA -0.144 4.197 4.340 0.000 0.000 0.299 274 Q C -0.392 175.629 176.000 0.035 0.000 1.353 274 Q CA 0.724 56.537 55.803 0.017 0.000 0.828 274 Q CB -2.311 26.435 28.738 0.013 0.000 1.157 274 Q HN 0.895 nan 8.270 nan 0.000 0.436 275 T N -3.715 110.865 114.554 0.043 0.000 2.942 275 T HA 0.535 4.885 4.350 0.000 0.000 0.289 275 T C -0.548 174.213 174.700 0.102 0.000 1.044 275 T CA -0.916 61.225 62.100 0.069 0.000 1.023 275 T CB 1.438 70.335 68.868 0.048 0.000 1.123 275 T HN 0.237 nan 8.240 nan 0.000 0.512 276 Y N 1.860 122.170 120.300 0.017 0.000 2.425 276 Y HA 0.344 4.895 4.550 0.000 0.000 0.331 276 Y C 0.198 176.126 175.900 0.047 0.000 1.157 276 Y CA -0.131 57.989 58.100 0.032 0.000 1.372 276 Y CB 0.282 38.751 38.460 0.015 0.000 1.253 276 Y HN 0.800 nan 8.280 nan 0.000 0.536 277 H N 8.329 126.889 119.070 -0.851 0.000 2.658 277 H HA 0.296 4.852 4.556 0.000 0.000 0.337 277 H C -2.284 172.518 175.328 -0.877 0.000 1.009 277 H CA -2.445 53.230 56.048 -0.622 0.000 1.231 277 H CB 2.443 32.013 29.762 -0.319 0.000 1.508 277 H HN 0.492 nan 8.280 nan 0.000 0.517 278 P HA 0.052 nan 4.420 nan 0.000 0.249 278 P C 0.100 177.522 177.300 0.203 0.000 1.229 278 P CA 0.514 63.566 63.100 -0.081 0.000 0.788 278 P CB 0.768 32.523 31.700 0.092 0.000 1.072 279 E N 0.618 121.050 120.200 0.387 0.000 3.909 279 E HA 0.278 4.628 4.350 0.000 0.000 0.236 279 E C -2.698 173.948 176.600 0.077 0.000 1.222 279 E CA -1.871 54.731 56.400 0.336 0.000 1.205 279 E CB 0.938 30.892 29.700 0.423 0.000 1.249 279 E HN 0.064 nan 8.360 nan 0.000 0.411 280 P HA 0.210 nan 4.420 nan 0.000 0.283 280 P C -0.939 176.283 177.300 -0.129 0.000 1.412 280 P CA -0.320 62.642 63.100 -0.230 0.000 0.912 280 P CB 0.343 31.918 31.700 -0.209 0.000 1.132 281 R N 1.800 122.199 120.500 -0.168 0.000 2.491 281 R HA 0.262 4.603 4.340 0.000 0.000 0.283 281 R C -0.086 176.171 176.300 -0.072 0.000 1.072 281 R CA -0.544 55.446 56.100 -0.183 0.000 1.048 281 R CB 0.400 30.342 30.300 -0.596 0.000 0.983 281 R HN 0.208 nan 8.270 nan 0.000 0.450 282 V N 3.368 123.330 119.914 0.079 0.000 2.488 282 V HA 0.242 4.362 4.120 0.000 0.000 0.277 282 V C 0.738 176.943 176.094 0.186 0.000 1.046 282 V CA 0.167 62.531 62.300 0.106 0.000 0.986 282 V CB 0.863 32.755 31.823 0.114 0.000 0.989 282 V HN 1.011 nan 8.190 nan 0.000 0.475 283 A N 4.906 127.784 122.820 0.096 0.000 3.637 283 A HA 0.890 5.210 4.320 0.000 0.000 0.192 283 A C 0.926 178.497 177.584 -0.022 0.000 1.783 283 A CA 0.230 52.313 52.037 0.076 0.000 1.891 283 A CB -0.460 18.561 19.000 0.035 0.000 1.430 283 A HN 1.070 nan 8.150 nan 0.000 0.460 284 A N -0.569 122.220 122.820 -0.050 0.000 2.445 284 A HA 0.536 4.856 4.320 0.000 0.000 0.242 284 A C -0.353 177.185 177.584 -0.077 0.000 1.075 284 A CA 0.306 52.319 52.037 -0.040 0.000 0.777 284 A CB -0.471 18.562 19.000 0.055 0.000 1.013 284 A HN 0.513 nan 8.150 nan 0.000 0.493 285 I N 1.625 122.099 120.570 -0.160 0.000 2.533 285 I HA 0.508 4.678 4.170 0.000 0.000 0.290 285 I C -0.678 175.246 176.117 -0.321 0.000 1.056 285 I CA -0.219 60.922 61.300 -0.265 0.000 1.057 285 I CB 1.921 39.741 38.000 -0.299 0.000 1.240 285 I HN 0.639 nan 8.210 nan 0.000 0.423 286 I N 4.428 124.726 120.570 -0.454 0.000 2.569 286 I HA 0.641 4.811 4.170 0.000 0.000 0.290 286 I C -0.374 175.607 176.117 -0.226 0.000 1.088 286 I CA -0.476 60.532 61.300 -0.487 0.000 1.047 286 I CB 1.789 39.155 38.000 -1.056 0.000 1.237 286 I HN 0.701 nan 8.210 nan 0.000 0.421 287 A N 5.107 127.924 122.820 -0.004 0.000 2.366 287 A HA 0.484 4.804 4.320 0.000 0.000 0.272 287 A C 0.024 177.665 177.584 0.096 0.000 1.135 287 A CA -0.078 52.018 52.037 0.098 0.000 0.804 287 A CB 0.696 19.756 19.000 0.101 0.000 1.064 287 A HN 0.698 nan 8.150 nan 0.000 0.499 288 S N 0.852 116.583 115.700 0.052 0.000 2.580 288 S HA 0.266 4.736 4.470 0.000 0.000 0.274 288 S C 0.607 175.180 174.600 -0.045 0.000 1.329 288 S CA -0.177 58.105 58.200 0.137 0.000 1.036 288 S CB 0.139 63.356 63.200 0.029 0.000 0.919 288 S HN 0.734 nan 8.310 nan 0.000 0.515 289 H N 1.563 120.681 119.070 0.078 0.000 2.654 289 H HA 0.306 4.862 4.556 0.000 0.000 0.264 289 H C 1.512 176.927 175.328 0.144 0.000 0.954 289 H CA 0.053 56.147 56.048 0.078 0.000 1.199 289 H CB 0.460 30.153 29.762 -0.116 0.000 1.446 289 H HN 0.551 nan 8.280 nan 0.000 0.516 290 E N 0.076 120.326 120.200 0.083 0.000 2.190 290 E HA 0.052 4.402 4.350 0.000 0.000 0.191 290 E C 0.035 176.364 176.600 -0.451 0.000 0.978 290 E CA 0.772 57.095 56.400 -0.128 0.000 0.839 290 E CB 0.536 30.093 29.700 -0.238 0.000 0.787 290 E HN 0.515 nan 8.360 nan 0.000 0.473 291 H N -0.772 118.123 119.070 -0.291 0.000 2.961 291 H HA 0.221 4.777 4.556 0.000 0.000 0.371 291 H C -2.372 172.254 175.328 -1.170 0.000 1.190 291 H CA -2.036 53.553 56.048 -0.766 0.000 1.138 291 H CB 2.127 31.612 29.762 -0.462 0.000 1.816 291 H HN -0.174 nan 8.280 nan 0.000 0.551 292 P HA 0.131 nan 4.420 nan 0.000 0.241 292 P C -0.532 175.725 177.300 -1.739 0.000 1.760 292 P CA 0.344 62.449 63.100 -1.658 0.000 1.081 292 P CB 0.083 30.852 31.700 -1.551 0.000 1.975 293 E N 0.770 120.290 120.200 -1.133 0.000 2.416 293 E HA 0.582 4.932 4.350 0.000 0.000 0.273 293 E C -1.144 175.201 176.600 -0.425 0.000 0.935 293 E CA -0.752 55.226 56.400 -0.704 0.000 0.784 293 E CB 1.458 30.928 29.700 -0.382 0.000 1.301 293 E HN 0.051 nan 8.360 nan 0.000 0.454 294 F N 1.321 121.203 119.950 -0.113 0.000 2.467 294 F HA 0.447 4.974 4.527 0.000 0.000 0.336 294 F C -0.157 175.499 175.800 -0.239 0.000 1.123 294 F CA -0.725 57.192 58.000 -0.139 0.000 0.964 294 F CB 1.057 39.961 39.000 -0.160 0.000 1.136 294 F HN 0.236 nan 8.300 nan 0.000 0.447 295 I N 4.984 125.503 120.570 -0.085 0.000 2.287 295 I HA 0.277 4.447 4.170 0.000 0.000 0.290 295 I C -0.787 175.166 176.117 -0.275 0.000 1.069 295 I CA -0.603 60.563 61.300 -0.225 0.000 1.237 295 I CB 0.565 38.332 38.000 -0.388 0.000 1.418 295 I HN 0.143 nan 8.210 nan 0.000 0.481 296 V N 5.805 125.586 119.914 -0.222 0.000 2.394 296 V HA 0.279 4.399 4.120 0.000 0.000 0.282 296 V C 0.178 176.211 176.094 -0.101 0.000 1.031 296 V CA -0.745 61.413 62.300 -0.237 0.000 0.881 296 V CB 1.332 32.894 31.823 -0.435 0.000 0.982 296 V HN 0.577 nan 8.190 nan 0.000 0.451 297 N N 3.174 121.848 118.700 -0.044 0.000 2.434 297 N HA 0.428 5.168 4.740 0.000 0.000 0.272 297 N C -0.712 174.794 175.510 -0.007 0.000 1.040 297 N CA -0.165 52.894 53.050 0.016 0.000 0.956 297 N CB 1.817 40.342 38.487 0.063 0.000 1.108 297 N HN 0.450 nan 8.380 nan 0.000 0.481 298 V N 3.697 123.600 119.914 -0.018 0.000 2.313 298 V HA 0.187 4.308 4.120 0.000 0.000 0.278 298 V C 1.494 177.538 176.094 -0.084 0.000 1.017 298 V CA -0.735 61.542 62.300 -0.038 0.000 0.823 298 V CB 1.329 33.133 31.823 -0.031 0.000 1.010 298 V HN 0.666 nan 8.190 nan 0.000 0.443 299 K N 3.481 123.828 120.400 -0.089 0.000 1.972 299 K HA -0.224 4.096 4.320 0.000 0.000 0.227 299 K C 1.686 178.109 176.600 -0.296 0.000 1.046 299 K CA 2.422 58.640 56.287 -0.114 0.000 1.013 299 K CB 0.067 32.535 32.500 -0.053 0.000 0.741 299 K HN 0.702 nan 8.250 nan 0.000 0.446 300 E N -0.314 119.631 120.200 -0.424 0.000 2.219 300 E HA -0.159 4.191 4.350 0.000 0.000 0.198 300 E C 1.785 178.025 176.600 -0.599 0.000 0.998 300 E CA 1.995 57.966 56.400 -0.715 0.000 0.818 300 E CB -0.171 28.990 29.700 -0.899 0.000 0.741 300 E HN 0.659 nan 8.360 nan 0.000 0.477 301 T N -3.868 110.444 114.554 -0.404 0.000 3.067 301 T HA 0.210 4.560 4.350 0.000 0.000 0.257 301 T C 1.557 176.139 174.700 -0.196 0.000 1.105 301 T CA 0.232 62.178 62.100 -0.257 0.000 1.104 301 T CB 0.161 68.925 68.868 -0.174 0.000 0.925 301 T HN 0.238 nan 8.240 nan 0.000 0.498 302 G N 1.186 109.862 108.800 -0.206 0.000 2.272 302 G HA2 -0.221 3.739 3.960 0.000 0.000 0.280 302 G HA3 -0.221 3.739 3.960 0.000 0.000 0.280 302 G C -0.260 174.588 174.900 -0.087 0.000 1.067 302 G CA -0.004 45.011 45.100 -0.141 0.000 0.902 302 G HN 0.635 nan 8.290 nan 0.000 0.500 303 K N -0.669 119.687 120.400 -0.074 0.000 2.221 303 K HA 0.696 5.016 4.320 0.000 0.000 0.258 303 K C -0.053 176.532 176.600 -0.024 0.000 0.944 303 K CA -0.624 55.637 56.287 -0.043 0.000 0.823 303 K CB 2.249 34.727 32.500 -0.036 0.000 1.113 303 K HN 0.117 nan 8.250 nan 0.000 0.431 304 V N 5.270 125.176 119.914 -0.014 0.000 2.357 304 V HA 0.411 4.531 4.120 0.000 0.000 0.284 304 V C -0.564 175.522 176.094 -0.013 0.000 1.018 304 V CA -0.846 61.456 62.300 0.004 0.000 0.841 304 V CB 0.839 32.684 31.823 0.036 0.000 0.991 304 V HN 0.549 nan 8.190 nan 0.000 0.437 305 L N 6.073 127.276 121.223 -0.033 0.000 2.282 305 L HA 0.561 4.901 4.340 0.000 0.000 0.288 305 L C -0.470 176.353 176.870 -0.078 0.000 1.033 305 L CA -0.497 54.318 54.840 -0.042 0.000 0.807 305 L CB 1.425 43.473 42.059 -0.019 0.000 1.209 305 L HN 0.426 nan 8.230 nan 0.000 0.423 306 L N 4.859 126.041 121.223 -0.068 0.000 2.287 306 L HA 0.344 4.684 4.340 0.000 0.000 0.280 306 L C -0.429 176.384 176.870 -0.095 0.000 1.055 306 L CA -0.636 54.147 54.840 -0.094 0.000 0.863 306 L CB 1.197 43.193 42.059 -0.106 0.000 1.245 306 L HN 0.339 nan 8.230 nan 0.000 0.432 307 V N 2.588 122.453 119.914 -0.083 0.000 2.353 307 V HA 0.133 4.253 4.120 0.000 0.000 0.264 307 V C 0.559 176.595 176.094 -0.097 0.000 1.049 307 V CA -0.511 61.770 62.300 -0.031 0.000 0.896 307 V CB 0.913 32.737 31.823 0.001 0.000 1.025 307 V HN 0.661 nan 8.190 nan 0.000 0.475 308 N N 4.011 122.615 118.700 -0.160 0.000 2.488 308 N HA 0.108 4.848 4.740 0.000 0.000 0.274 308 N C 0.063 175.432 175.510 -0.235 0.000 1.111 308 N CA -0.257 52.603 53.050 -0.316 0.000 0.974 308 N CB 1.242 39.561 38.487 -0.280 0.000 1.089 308 N HN 0.749 nan 8.380 nan 0.000 0.465 309 Y N 2.218 122.331 120.300 -0.312 0.000 2.555 309 Y HA 0.367 4.917 4.550 -0.000 0.000 0.259 309 Y C 1.747 177.519 175.900 -0.214 0.000 1.179 309 Y CA -0.489 57.409 58.100 -0.337 0.000 1.230 309 Y CB -0.124 38.066 38.460 -0.451 0.000 1.146 309 Y HN 0.431 nan 8.280 nan 0.000 0.526 310 K N 0.862 121.179 120.400 -0.139 0.000 2.147 310 K HA -0.170 4.150 4.320 0.000 0.000 0.205 310 K C -0.408 176.268 176.600 0.127 0.000 1.049 310 K CA 1.654 57.970 56.287 0.049 0.000 0.936 310 K CB 0.051 32.521 32.500 -0.051 0.000 0.722 310 K HN 0.344 nan 8.250 nan 0.000 0.446 311 D N -0.187 120.234 120.400 0.035 0.000 2.386 311 D HA 0.074 4.714 4.640 0.000 0.000 0.247 311 D C 0.416 176.707 176.300 -0.016 0.000 1.336 311 D CA -0.454 53.566 54.000 0.034 0.000 0.976 311 D CB 0.909 41.718 40.800 0.014 0.000 1.257 311 D HN 0.193 nan 8.370 nan 0.000 0.570 312 I N -0.326 120.223 120.570 -0.036 0.000 3.684 312 I HA 0.207 4.377 4.170 0.000 0.000 0.304 312 I C 0.735 176.824 176.117 -0.048 0.000 1.278 312 I CA 0.155 61.397 61.300 -0.097 0.000 1.272 312 I CB 0.314 38.167 38.000 -0.246 0.000 1.029 312 I HN 0.020 nan 8.210 nan 0.000 0.458 313 D N 1.931 122.321 120.400 -0.017 0.000 2.183 313 D HA -0.018 4.622 4.640 0.000 0.000 0.205 313 D C 0.153 176.442 176.300 -0.019 0.000 0.962 313 D CA 0.994 54.986 54.000 -0.013 0.000 0.849 313 D CB -0.049 40.752 40.800 0.003 0.000 0.978 313 D HN 0.566 nan 8.370 nan 0.000 0.488 314 N N 0.648 119.337 118.700 -0.018 0.000 2.746 314 N HA 0.204 4.945 4.740 0.000 0.000 0.250 314 N C -1.080 174.414 175.510 -0.027 0.000 1.146 314 N CA -0.442 52.596 53.050 -0.021 0.000 0.828 314 N CB 1.558 40.035 38.487 -0.016 0.000 1.158 314 N HN -0.105 nan 8.380 nan 0.000 0.519 315 L N 1.572 122.779 121.223 -0.027 0.000 2.455 315 L HA 0.211 4.551 4.340 0.000 0.000 0.272 315 L C 0.091 176.947 176.870 -0.023 0.000 1.174 315 L CA 0.833 55.660 54.840 -0.022 0.000 0.869 315 L CB 0.639 42.697 42.059 -0.002 0.000 1.130 315 L HN 0.374 nan 8.230 nan 0.000 0.474 316 T N 4.433 118.965 114.554 -0.038 0.000 2.779 316 T HA 0.614 4.964 4.350 0.000 0.000 0.280 316 T C -0.669 174.006 174.700 -0.042 0.000 0.987 316 T CA -0.401 61.670 62.100 -0.048 0.000 0.966 316 T CB 1.098 69.921 68.868 -0.075 0.000 0.933 316 T HN 0.283 nan 8.240 nan 0.000 0.442 317 V N 3.483 123.384 119.914 -0.022 0.000 2.588 317 V HA 0.518 4.638 4.120 0.000 0.000 0.304 317 V C 0.080 176.158 176.094 -0.027 0.000 1.042 317 V CA -0.825 61.471 62.300 -0.006 0.000 0.877 317 V CB 2.207 34.062 31.823 0.053 0.000 0.996 317 V HN 0.895 nan 8.190 nan 0.000 0.425 318 T N 2.794 117.321 114.554 -0.044 0.000 2.772 318 T HA 0.268 4.618 4.350 0.000 0.000 0.288 318 T C 0.023 174.704 174.700 -0.031 0.000 0.994 318 T CA -0.145 61.926 62.100 -0.048 0.000 0.951 318 T CB 1.287 70.110 68.868 -0.075 0.000 0.933 318 T HN 0.618 nan 8.240 nan 0.000 0.447 319 S N 4.352 120.040 115.700 -0.020 0.000 2.415 319 S HA 0.460 4.930 4.470 0.000 0.000 0.313 319 S C 0.059 174.648 174.600 -0.018 0.000 1.067 319 S CA -0.729 57.463 58.200 -0.012 0.000 1.099 319 S CB -0.518 62.681 63.200 -0.003 0.000 0.991 319 S HN 0.545 nan 8.310 nan 0.000 0.491 320 I N 4.260 124.818 120.570 -0.020 0.000 2.365 320 I HA 0.367 4.537 4.170 0.000 0.000 0.291 320 I C 1.141 177.244 176.117 -0.024 0.000 1.004 320 I CA -0.605 60.682 61.300 -0.022 0.000 1.311 320 I CB 1.317 39.306 38.000 -0.019 0.000 1.401 320 I HN 0.618 nan 8.210 nan 0.000 0.491 321 G N 3.887 112.671 108.800 -0.026 0.000 2.372 321 G HA2 0.557 4.517 3.960 0.000 0.000 0.283 321 G HA3 0.557 4.517 3.960 0.000 0.000 0.283 321 G C 0.010 174.888 174.900 -0.038 0.000 1.177 321 G CA 0.104 45.185 45.100 -0.031 0.000 0.842 321 G HN 0.798 nan 8.290 nan 0.000 0.503 322 A N 2.014 124.807 122.820 -0.045 0.000 2.385 322 A HA 0.971 5.292 4.320 0.000 0.000 0.209 322 A C 0.550 178.106 177.584 -0.048 0.000 2.123 322 A CA 0.611 52.616 52.037 -0.053 0.000 1.674 322 A CB 0.159 19.123 19.000 -0.061 0.000 1.212 322 A HN 2.008 nan 8.150 nan 0.000 0.422 323 A N -0.657 122.133 122.820 -0.050 0.000 2.549 323 A HA 0.720 5.040 4.320 0.000 0.000 0.297 323 A C -3.153 174.401 177.584 -0.051 0.000 1.061 323 A CA -1.441 50.575 52.037 -0.035 0.000 0.690 323 A CB 0.612 19.604 19.000 -0.012 0.000 1.287 323 A HN 0.225 nan 8.150 nan 0.000 0.402 324 P HA 0.372 nan 4.420 nan 0.000 0.268 324 P C -0.543 176.725 177.300 -0.054 0.000 1.208 324 P CA 0.676 63.658 63.100 -0.197 0.000 0.777 324 P CB -0.141 31.425 31.700 -0.222 0.000 0.875 325 F N -1.991 117.938 119.950 -0.036 0.000 3.030 325 F HA -0.192 4.335 4.527 0.001 0.000 0.309 325 F C 0.170 175.973 175.800 0.005 0.000 0.941 325 F CA 0.056 58.041 58.000 -0.024 0.000 1.082 325 F CB -2.366 36.619 39.000 -0.024 0.000 1.113 325 F HN 0.181 nan 8.300 nan 0.000 0.716 326 L N 1.194 122.466 121.223 0.082 0.000 2.499 326 L HA 0.124 4.464 4.340 0.000 0.000 0.273 326 L C 1.461 178.421 176.870 0.150 0.000 1.195 326 L CA 0.462 55.344 54.840 0.069 0.000 0.882 326 L CB 0.603 42.663 42.059 0.002 0.000 1.133 326 L HN 0.464 nan 8.230 nan 0.000 0.483 327 H N 1.684 120.764 119.070 0.016 0.000 5.214 327 H HA 0.177 4.734 4.556 0.000 0.000 0.090 327 H C -0.699 174.639 175.328 0.016 0.000 1.307 327 H CA -0.186 55.883 56.048 0.034 0.000 0.450 327 H CB 0.928 30.709 29.762 0.031 0.000 1.651 327 H HN 0.755 nan 8.280 nan 0.000 0.136 328 D N 0.130 120.463 120.400 -0.111 0.000 2.385 328 D HA 0.509 5.149 4.640 0.000 0.000 0.254 328 D C 0.308 176.568 176.300 -0.066 0.000 1.053 328 D CA -0.409 53.517 54.000 -0.123 0.000 0.992 328 D CB 2.360 43.082 40.800 -0.130 0.000 1.145 328 D HN 0.707 nan 8.370 nan 0.000 0.523 329 G N -2.432 106.370 108.800 0.005 0.000 2.349 329 G HA2 0.611 4.571 3.960 0.000 0.000 0.294 329 G HA3 0.611 4.571 3.960 0.000 0.000 0.294 329 G C -1.139 173.865 174.900 0.174 0.000 1.380 329 G CA -0.324 44.756 45.100 -0.034 0.000 0.811 329 G HN 0.884 nan 8.290 nan 0.000 0.519 330 G N -2.008 106.899 108.800 0.179 0.000 2.559 330 G HA2 0.535 4.495 3.960 0.000 0.000 0.291 330 G HA3 0.535 4.495 3.960 0.000 0.000 0.291 330 G C -1.342 173.821 174.900 0.439 0.000 1.424 330 G CA -0.892 44.390 45.100 0.304 0.000 0.786 330 G HN 0.656 nan 8.290 nan 0.000 0.485 331 W N 1.115 122.805 121.300 0.650 0.000 2.126 331 W HA 0.336 4.996 4.660 -0.000 0.000 0.346 331 W C 1.129 177.929 176.519 0.467 0.000 1.279 331 W CA -0.395 57.213 57.345 0.438 0.000 1.259 331 W CB 0.764 30.347 29.460 0.204 0.000 1.133 331 W HN 0.632 nan 8.180 nan 0.000 0.592 332 D N -0.313 120.493 120.400 0.677 0.000 2.447 332 D HA -0.022 4.618 4.640 0.000 0.000 0.265 332 D C 1.379 177.956 176.300 0.462 0.000 1.250 332 D CA 0.305 54.623 54.000 0.529 0.000 1.046 332 D CB 0.512 41.609 40.800 0.496 0.000 1.095 332 D HN 0.403 nan 8.370 nan 0.000 0.555 333 S N -0.556 115.336 115.700 0.320 0.000 2.399 333 S HA -0.217 4.253 4.470 0.000 0.000 0.231 333 S C 1.905 176.510 174.600 0.007 0.000 1.022 333 S CA 1.538 59.835 58.200 0.161 0.000 0.983 333 S CB -0.826 62.437 63.200 0.105 0.000 0.803 333 S HN 0.604 nan 8.310 nan 0.000 0.480 334 S N 0.268 116.001 115.700 0.055 0.000 2.562 334 S HA 0.089 4.559 4.470 0.000 0.000 0.221 334 S C 0.418 174.910 174.600 -0.180 0.000 0.975 334 S CA 0.235 58.388 58.200 -0.078 0.000 0.918 334 S CB -1.097 62.115 63.200 0.021 0.000 0.772 334 S HN 0.768 nan 8.310 nan 0.000 0.531 335 H N 0.125 119.048 119.070 -0.245 0.000 2.826 335 H HA -0.127 4.429 4.556 0.000 0.000 0.306 335 H C 1.129 175.869 175.328 -0.980 0.000 1.235 335 H CA 0.715 56.317 56.048 -0.743 0.000 1.150 335 H CB -1.019 28.177 29.762 -0.945 0.000 1.409 335 H HN 0.500 nan 8.280 nan 0.000 0.420 336 R N -0.022 120.230 120.500 -0.413 0.000 2.444 336 R HA 0.091 4.431 4.340 0.000 0.000 0.201 336 R C -0.481 175.679 176.300 -0.233 0.000 0.861 336 R CA 0.189 55.997 56.100 -0.486 0.000 1.034 336 R CB 0.830 30.791 30.300 -0.566 0.000 1.347 336 R HN 0.127 nan 8.270 nan 0.000 0.659 337 Y N 0.549 121.052 120.300 0.339 0.000 2.353 337 Y HA 0.277 4.827 4.550 0.001 0.000 0.340 337 Y C -0.644 175.553 175.900 0.495 0.000 0.972 337 Y CA -1.181 57.127 58.100 0.347 0.000 1.157 337 Y CB 0.908 39.490 38.460 0.203 0.000 1.157 337 Y HN -0.049 nan 8.280 nan 0.000 0.495 338 F N 5.762 125.910 119.950 0.330 0.000 2.438 338 F HA 0.348 4.875 4.527 0.001 0.000 0.360 338 F C -0.550 175.137 175.800 -0.188 0.000 1.118 338 F CA -1.561 56.416 58.000 -0.038 0.000 1.164 338 F CB 0.397 39.258 39.000 -0.232 0.000 1.131 338 F HN 0.324 nan 8.300 nan 0.000 0.527 339 M N 6.469 125.737 119.600 -0.553 0.000 2.206 339 M HA 0.162 4.642 4.480 0.000 0.000 0.353 339 M C 0.112 175.781 176.300 -1.051 0.000 1.242 339 M CA 0.007 54.719 55.300 -0.978 0.000 1.179 339 M CB 0.059 31.621 32.600 -1.731 0.000 1.374 339 M HN 0.564 nan 8.290 nan 0.000 0.427 340 T N 1.979 115.951 114.554 -0.970 0.000 2.918 340 T HA 0.798 5.148 4.350 0.000 0.000 0.286 340 T C -0.701 173.799 174.700 -0.334 0.000 1.026 340 T CA -0.526 61.123 62.100 -0.751 0.000 1.031 340 T CB 1.403 69.672 68.868 -0.999 0.000 1.046 340 T HN 0.702 nan 8.240 nan 0.000 0.479 341 A N 2.439 125.170 122.820 -0.147 0.000 2.276 341 A HA 0.745 5.065 4.320 0.000 0.000 0.316 341 A C 0.303 177.894 177.584 0.011 0.000 1.229 341 A CA -0.601 51.422 52.037 -0.022 0.000 0.851 341 A CB 0.532 19.556 19.000 0.040 0.000 1.165 341 A HN 1.093 nan 8.150 nan 0.000 0.513 342 A N 3.434 126.270 122.820 0.026 0.000 3.000 342 A HA 0.383 4.703 4.320 0.000 0.000 0.315 342 A C 1.100 178.745 177.584 0.102 0.000 1.434 342 A CA -0.293 51.788 52.037 0.073 0.000 1.108 342 A CB -0.832 18.196 19.000 0.047 0.000 1.171 342 A HN 1.030 nan 8.150 nan 0.000 0.524 343 N N 2.192 120.950 118.700 0.097 0.000 2.049 343 N HA -0.318 4.422 4.740 0.000 0.000 0.198 343 N C 0.750 176.275 175.510 0.026 0.000 1.030 343 N CA 2.646 55.726 53.050 0.051 0.000 0.870 343 N CB -0.802 37.681 38.487 -0.006 0.000 1.045 343 N HN 0.709 nan 8.380 nan 0.000 0.434 344 N N -1.171 117.530 118.700 0.002 0.000 2.515 344 N HA 0.103 4.843 4.740 0.000 0.000 0.185 344 N C 0.534 176.072 175.510 0.046 0.000 1.109 344 N CA 0.455 53.452 53.050 -0.088 0.000 0.903 344 N CB 0.094 38.301 38.487 -0.468 0.000 0.969 344 N HN 0.195 nan 8.380 nan 0.000 0.450 345 S N 0.452 116.227 115.700 0.125 0.000 2.548 345 S HA 0.069 4.540 4.470 0.000 0.000 0.215 345 S C 0.097 174.744 174.600 0.078 0.000 0.976 345 S CA -0.236 58.033 58.200 0.115 0.000 0.908 345 S CB 0.143 63.418 63.200 0.124 0.000 0.781 345 S HN 0.309 nan 8.310 nan 0.000 0.519 346 N N 1.595 120.340 118.700 0.076 0.000 2.740 346 N HA -0.143 4.597 4.740 0.000 0.000 0.248 346 N C -0.616 174.949 175.510 0.091 0.000 1.062 346 N CA 1.105 54.207 53.050 0.087 0.000 0.704 346 N CB -1.067 37.460 38.487 0.068 0.000 0.968 346 N HN 0.514 nan 8.380 nan 0.000 0.547 347 K N -0.798 119.652 120.400 0.082 0.000 2.480 347 K HA 0.706 5.026 4.320 0.000 0.000 0.258 347 K C -0.671 175.961 176.600 0.053 0.000 0.990 347 K CA -0.766 55.561 56.287 0.067 0.000 0.857 347 K CB 2.543 35.067 32.500 0.040 0.000 1.384 347 K HN -0.132 nan 8.250 nan 0.000 0.446 348 V N 1.563 121.499 119.914 0.037 0.000 2.444 348 V HA 0.465 4.585 4.120 0.000 0.000 0.294 348 V C -0.687 175.343 176.094 -0.107 0.000 1.022 348 V CA -0.828 61.463 62.300 -0.016 0.000 0.850 348 V CB 1.421 33.291 31.823 0.078 0.000 0.992 348 V HN 0.903 nan 8.190 nan 0.000 0.426 349 A N 4.961 127.670 122.820 -0.185 0.000 2.310 349 A HA 0.789 5.109 4.320 0.000 0.000 0.299 349 A C -0.494 176.886 177.584 -0.340 0.000 1.147 349 A CA -0.404 51.499 52.037 -0.223 0.000 0.818 349 A CB 1.047 19.934 19.000 -0.189 0.000 1.096 349 A HN 0.709 nan 8.150 nan 0.000 0.495 350 V N 4.398 124.096 119.914 -0.362 0.000 2.357 350 V HA 0.295 4.415 4.120 0.000 0.000 0.284 350 V C -0.524 175.391 176.094 -0.299 0.000 1.018 350 V CA -0.442 61.576 62.300 -0.471 0.000 0.841 350 V CB 1.077 32.347 31.823 -0.922 0.000 0.991 350 V HN 0.678 nan 8.190 nan 0.000 0.437 351 I N 3.676 124.179 120.570 -0.110 0.000 2.330 351 I HA 0.327 4.497 4.170 0.000 0.000 0.289 351 I C 0.067 176.286 176.117 0.171 0.000 1.001 351 I CA -0.304 61.024 61.300 0.047 0.000 1.193 351 I CB 1.509 39.607 38.000 0.163 0.000 1.345 351 I HN 0.579 nan 8.210 nan 0.000 0.461 352 D N 4.561 125.046 120.400 0.142 0.000 2.352 352 D HA 0.052 4.692 4.640 0.000 0.000 0.245 352 D C 1.245 177.592 176.300 0.079 0.000 1.224 352 D CA 0.084 54.166 54.000 0.137 0.000 0.879 352 D CB 1.127 42.033 40.800 0.176 0.000 1.057 352 D HN 0.569 nan 8.370 nan 0.000 0.491 353 S N 3.350 119.095 115.700 0.074 0.000 2.481 353 S HA -0.103 4.367 4.470 0.000 0.000 0.231 353 S C 1.597 176.262 174.600 0.108 0.000 0.996 353 S CA 0.482 58.759 58.200 0.127 0.000 0.942 353 S CB 0.239 63.579 63.200 0.233 0.000 0.768 353 S HN 0.490 nan 8.310 nan 0.000 0.520 354 K N 1.118 121.526 120.400 0.014 0.000 2.063 354 K HA 0.022 4.342 4.320 0.000 0.000 0.204 354 K C 0.834 177.528 176.600 0.156 0.000 1.039 354 K CA 1.300 57.619 56.287 0.054 0.000 0.957 354 K CB -0.089 32.375 32.500 -0.060 0.000 0.764 354 K HN 0.164 nan 8.250 nan 0.000 0.447 355 D N 0.827 121.275 120.400 0.081 0.000 2.349 355 D HA 0.010 4.650 4.640 0.000 0.000 0.224 355 D C -0.455 175.866 176.300 0.034 0.000 1.029 355 D CA 0.302 54.344 54.000 0.070 0.000 0.879 355 D CB 0.124 40.971 40.800 0.077 0.000 0.906 355 D HN 0.179 nan 8.370 nan 0.000 0.528 356 R N 0.495 121.014 120.500 0.031 0.000 3.146 356 R HA -0.225 4.115 4.340 0.000 0.000 0.250 356 R C -0.134 176.161 176.300 -0.009 0.000 0.912 356 R CA 0.549 56.641 56.100 -0.012 0.000 0.633 356 R CB -1.810 28.430 30.300 -0.101 0.000 1.180 356 R HN 0.404 nan 8.270 nan 0.000 0.464 357 R N -1.106 119.403 120.500 0.014 0.000 2.733 357 R HA 0.502 4.842 4.340 0.000 0.000 0.272 357 R C -1.310 174.986 176.300 -0.006 0.000 1.029 357 R CA -1.303 54.799 56.100 0.003 0.000 0.888 357 R CB 0.778 31.084 30.300 0.010 0.000 1.251 357 R HN 0.001 nan 8.270 nan 0.000 0.464 358 L N 1.727 122.931 121.223 -0.031 0.000 2.315 358 L HA 0.294 4.634 4.340 0.000 0.000 0.283 358 L C 0.352 177.161 176.870 -0.102 0.000 1.089 358 L CA 0.473 55.269 54.840 -0.074 0.000 0.833 358 L CB 1.456 43.475 42.059 -0.068 0.000 1.170 358 L HN 0.814 nan 8.230 nan 0.000 0.442 359 S N 3.577 119.157 115.700 -0.200 0.000 2.395 359 S HA 0.494 4.964 4.470 0.000 0.000 0.225 359 S C 0.522 174.914 174.600 -0.346 0.000 1.027 359 S CA 0.596 58.620 58.200 -0.295 0.000 0.965 359 S CB -0.092 62.753 63.200 -0.591 0.000 0.812 359 S HN 0.896 nan 8.310 nan 0.000 0.482 360 A N -0.138 122.454 122.820 -0.379 0.000 2.490 360 A HA 0.657 4.977 4.320 0.000 0.000 0.292 360 A C -2.213 175.265 177.584 -0.176 0.000 1.047 360 A CA -0.776 51.128 52.037 -0.222 0.000 0.632 360 A CB 0.400 19.304 19.000 -0.159 0.000 1.323 360 A HN 0.159 nan 8.150 nan 0.000 0.448 361 L N 1.177 122.353 121.223 -0.077 0.000 2.415 361 L HA 0.517 4.857 4.340 0.000 0.000 0.268 361 L C -1.067 175.804 176.870 0.002 0.000 0.984 361 L CA -0.832 53.978 54.840 -0.050 0.000 0.853 361 L CB 1.813 43.853 42.059 -0.032 0.000 1.215 361 L HN 0.513 nan 8.230 nan 0.000 0.419 362 V N 1.263 121.188 119.914 0.017 0.000 2.370 362 V HA 0.271 4.391 4.120 0.000 0.000 0.279 362 V C -0.187 175.950 176.094 0.072 0.000 1.029 362 V CA -0.847 61.493 62.300 0.067 0.000 0.870 362 V CB 1.447 33.336 31.823 0.110 0.000 0.984 362 V HN 0.521 nan 8.190 nan 0.000 0.451 363 D N 3.640 124.081 120.400 0.067 0.000 2.390 363 D HA 0.401 5.041 4.640 0.000 0.000 0.249 363 D C 0.373 176.725 176.300 0.086 0.000 1.144 363 D CA 0.242 54.282 54.000 0.067 0.000 0.880 363 D CB 1.830 42.659 40.800 0.049 0.000 1.182 363 D HN 0.508 nan 8.370 nan 0.000 0.451 364 V N -0.013 119.968 119.914 0.111 0.000 3.998 364 V HA 0.891 5.011 4.120 0.000 0.000 0.297 364 V C 0.782 176.925 176.094 0.081 0.000 1.378 364 V CA -0.588 61.806 62.300 0.156 0.000 0.949 364 V CB 0.539 32.547 31.823 0.307 0.000 1.258 364 V HN 0.455 nan 8.190 nan 0.000 0.471 365 G N -0.478 108.319 108.800 -0.005 0.000 2.509 365 G HA2 0.494 4.454 3.960 0.000 0.000 0.269 365 G HA3 0.494 4.454 3.960 0.000 0.000 0.269 365 G C -0.764 174.120 174.900 -0.027 0.000 1.416 365 G CA -0.901 44.031 45.100 -0.280 0.000 1.052 365 G HN 0.775 nan 8.290 nan 0.000 0.542 366 K N 0.872 121.240 120.400 -0.053 0.000 2.349 366 K HA 0.439 4.759 4.320 0.000 0.000 0.288 366 K C -0.037 176.659 176.600 0.159 0.000 1.058 366 K CA 0.231 56.551 56.287 0.054 0.000 0.953 366 K CB 0.639 33.143 32.500 0.007 0.000 0.997 366 K HN 0.452 nan 8.250 nan 0.000 0.477 367 T N 3.302 117.933 114.554 0.130 0.000 3.247 367 T HA -0.098 4.252 4.350 0.000 0.000 0.434 367 T C -2.344 172.437 174.700 0.135 0.000 0.770 367 T CA -0.400 61.758 62.100 0.098 0.000 2.236 367 T CB -1.512 67.375 68.868 0.031 0.000 1.678 367 T HN 0.516 nan 8.240 nan 0.000 0.645 368 P HA 0.126 nan 4.420 nan 0.000 0.271 368 P C -0.323 176.949 177.300 -0.047 0.000 1.220 368 P CA 0.181 63.212 63.100 -0.115 0.000 0.768 368 P CB 0.582 32.247 31.700 -0.058 0.000 0.848 369 H N 6.175 125.133 119.070 -0.186 0.000 2.716 369 H HA 0.223 4.779 4.556 0.000 0.000 0.260 369 H C -2.055 173.190 175.328 -0.138 0.000 1.280 369 H CA -1.962 54.018 56.048 -0.113 0.000 1.506 369 H CB 1.678 31.359 29.762 -0.135 0.000 1.514 369 H HN 0.254 nan 8.280 nan 0.000 0.502 370 P HA 0.083 nan 4.420 nan 0.000 0.226 370 P C 1.011 178.344 177.300 0.056 0.000 1.161 370 P CA 1.540 64.607 63.100 -0.056 0.000 0.804 370 P CB 1.472 33.226 31.700 0.089 0.000 0.829 371 G N 1.491 110.302 108.800 0.017 0.000 2.559 371 G HA2 -0.334 3.626 3.960 0.000 0.000 0.282 371 G HA3 -0.334 3.626 3.960 0.000 0.000 0.282 371 G C 1.045 176.035 174.900 0.151 0.000 1.177 371 G CA 0.388 45.651 45.100 0.273 0.000 0.960 371 G HN 0.294 nan 8.290 nan 0.000 0.540 372 R N 1.500 122.039 120.500 0.064 0.000 2.334 372 R HA 0.465 4.805 4.340 0.000 0.000 0.212 372 R C 1.263 177.543 176.300 -0.035 0.000 0.897 372 R CA 1.213 57.198 56.100 -0.191 0.000 1.056 372 R CB 0.305 30.153 30.300 -0.752 0.000 1.046 372 R HN 2.071 nan 8.270 nan 0.000 0.513 373 G N 0.323 109.157 108.800 0.057 0.000 2.728 373 G HA2 -0.019 3.941 3.960 0.000 0.000 0.294 373 G HA3 -0.019 3.941 3.960 0.000 0.000 0.294 373 G C -1.149 173.761 174.900 0.017 0.000 1.342 373 G CA -0.530 44.522 45.100 -0.079 0.000 0.866 373 G HN 0.329 nan 8.290 nan 0.000 0.534 374 A N 0.455 123.195 122.820 -0.133 0.000 2.385 374 A HA 0.743 5.063 4.320 0.000 0.000 0.290 374 A C -0.324 177.401 177.584 0.235 0.000 1.094 374 A CA -0.574 51.562 52.037 0.166 0.000 0.729 374 A CB 1.011 20.122 19.000 0.186 0.000 1.194 374 A HN 0.805 nan 8.150 nan 0.000 0.442 375 N N 1.974 120.900 118.700 0.376 0.000 2.421 375 N HA 0.793 5.533 4.740 0.000 0.000 0.285 375 N C -0.980 174.757 175.510 0.377 0.000 1.027 375 N CA 0.180 53.428 53.050 0.331 0.000 0.918 375 N CB 1.682 40.381 38.487 0.353 0.000 1.152 375 N HN 0.670 nan 8.380 nan 0.000 0.485 376 F N -2.087 117.938 119.950 0.124 0.000 2.713 376 F HA 0.489 5.016 4.527 0.000 0.000 0.311 376 F C -1.308 174.540 175.800 0.080 0.000 1.141 376 F CA -1.239 56.811 58.000 0.083 0.000 0.939 376 F CB 0.663 39.702 39.000 0.065 0.000 1.325 376 F HN -0.014 nan 8.300 nan 0.000 0.453 377 V N 2.610 122.653 119.914 0.215 0.000 2.385 377 V HA 0.209 4.330 4.120 0.000 0.000 0.269 377 V C -0.018 176.195 176.094 0.198 0.000 1.043 377 V CA -0.350 62.011 62.300 0.100 0.000 0.906 377 V CB 0.365 32.239 31.823 0.086 0.000 0.995 377 V HN 0.815 nan 8.190 nan 0.000 0.467 378 H N 8.935 128.018 119.070 0.022 0.000 2.683 378 H HA 0.218 4.774 4.556 0.000 0.000 0.339 378 H C -1.497 173.856 175.328 0.041 0.000 1.081 378 H CA -1.808 54.306 56.048 0.110 0.000 1.432 378 H CB 2.174 31.981 29.762 0.075 0.000 1.462 378 H HN 0.369 nan 8.280 nan 0.000 0.557 379 P HA -0.137 nan 4.420 nan 0.000 0.218 379 P C 1.084 178.452 177.300 0.115 0.000 1.149 379 P CA 1.398 64.560 63.100 0.102 0.000 0.817 379 P CB 0.598 32.306 31.700 0.014 0.000 0.785 380 K N -1.345 119.153 120.400 0.164 0.000 2.287 380 K HA 0.003 4.324 4.320 0.000 0.000 0.199 380 K C 1.440 177.780 176.600 -0.434 0.000 1.061 380 K CA 0.408 56.538 56.287 -0.262 0.000 0.976 380 K CB 0.132 32.252 32.500 -0.634 0.000 0.898 380 K HN -0.007 nan 8.250 nan 0.000 0.492 381 Y N 0.264 120.400 120.300 -0.274 0.000 2.458 381 Y HA 0.318 4.868 4.550 0.000 0.000 0.256 381 Y C 1.022 176.728 175.900 -0.323 0.000 1.159 381 Y CA 0.097 57.883 58.100 -0.524 0.000 1.261 381 Y CB 0.642 38.564 38.460 -0.896 0.000 1.119 381 Y HN 0.283 nan 8.280 nan 0.000 0.524 382 G N 0.689 109.398 108.800 -0.151 0.000 2.593 382 G HA2 -0.246 3.714 3.960 0.000 0.000 0.237 382 G HA3 -0.246 3.714 3.960 0.000 0.000 0.237 382 G C -2.749 171.994 174.900 -0.262 0.000 1.312 382 G CA -1.195 43.624 45.100 -0.467 0.000 0.896 382 G HN 0.029 nan 8.290 nan 0.000 0.574 383 P HA 0.401 nan 4.420 nan 0.000 0.266 383 P C 0.212 177.423 177.300 -0.148 0.000 1.215 383 P CA 0.478 63.495 63.100 -0.138 0.000 0.763 383 P CB 0.917 32.576 31.700 -0.068 0.000 0.806 384 V N 1.311 121.099 119.914 -0.210 0.000 3.074 384 V HA 0.732 4.852 4.120 0.000 0.000 0.314 384 V C -1.402 174.647 176.094 -0.076 0.000 1.117 384 V CA -1.237 60.940 62.300 -0.204 0.000 1.014 384 V CB 2.398 33.995 31.823 -0.377 0.000 1.057 384 V HN 0.516 nan 8.190 nan 0.000 0.438 385 W N 2.390 123.626 121.300 -0.106 0.000 2.702 385 W HA 0.804 5.465 4.660 0.001 0.000 0.331 385 W C -0.203 176.337 176.519 0.034 0.000 1.049 385 W CA 0.046 57.412 57.345 0.034 0.000 1.230 385 W CB 2.132 31.675 29.460 0.139 0.000 1.408 385 W HN 1.032 nan 8.180 nan 0.000 0.492 386 S N 3.386 118.752 115.700 -0.556 0.000 2.600 386 S HA 0.861 5.331 4.470 0.000 0.000 0.300 386 S C -0.849 173.215 174.600 -0.894 0.000 1.087 386 S CA -0.764 57.139 58.200 -0.496 0.000 0.965 386 S CB 2.039 65.204 63.200 -0.058 0.000 1.089 386 S HN 0.576 nan 8.310 nan 0.000 0.496 387 T N 0.579 114.823 114.554 -0.516 0.000 2.923 387 T HA 0.668 5.019 4.350 0.000 0.000 0.311 387 T C -0.537 174.021 174.700 -0.236 0.000 1.183 387 T CA -0.379 61.454 62.100 -0.445 0.000 1.020 387 T CB 1.339 69.935 68.868 -0.453 0.000 1.165 387 T HN 1.121 nan 8.240 nan 0.000 0.482 388 S N 2.789 118.371 115.700 -0.197 0.000 2.758 388 S HA 0.842 5.312 4.470 0.000 0.000 0.292 388 S C -0.854 173.578 174.600 -0.280 0.000 1.131 388 S CA -0.628 57.534 58.200 -0.063 0.000 0.997 388 S CB 0.860 64.079 63.200 0.031 0.000 1.111 388 S HN 0.844 nan 8.310 nan 0.000 0.552 389 H N -1.288 117.801 119.070 0.032 0.000 2.894 389 H HA 0.544 5.101 4.556 0.000 0.000 0.368 389 H C 0.175 175.520 175.328 0.028 0.000 1.181 389 H CA -0.840 55.233 56.048 0.040 0.000 1.146 389 H CB 1.191 30.971 29.762 0.030 0.000 1.839 389 H HN 0.401 nan 8.280 nan 0.000 0.557 390 L N 0.110 121.415 121.223 0.137 0.000 2.298 390 L HA 0.177 4.518 4.340 0.000 0.000 0.209 390 L C 2.182 179.089 176.870 0.061 0.000 1.084 390 L CA 1.033 55.912 54.840 0.065 0.000 0.816 390 L CB 0.093 42.160 42.059 0.015 0.000 0.967 390 L HN 0.874 nan 8.230 nan 0.000 0.460 391 G N -0.390 108.458 108.800 0.080 0.000 2.623 391 G HA2 -0.036 3.924 3.960 0.000 0.000 0.214 391 G HA3 -0.036 3.924 3.960 0.000 0.000 0.214 391 G C -0.123 174.793 174.900 0.026 0.000 1.138 391 G CA 0.601 45.724 45.100 0.039 0.000 0.794 391 G HN 0.503 nan 8.290 nan 0.000 0.535 392 D N -3.728 116.698 120.400 0.044 0.000 2.692 392 D HA 0.409 5.049 4.640 0.000 0.000 0.303 392 D C 0.794 177.117 176.300 0.040 0.000 1.278 392 D CA -0.131 53.875 54.000 0.009 0.000 0.852 392 D CB 0.566 41.335 40.800 -0.052 0.000 1.375 392 D HN -0.101 nan 8.370 nan 0.000 0.453 393 G N -0.947 107.869 108.800 0.027 0.000 3.141 393 G HA2 0.251 4.211 3.960 0.000 0.000 0.218 393 G HA3 0.251 4.211 3.960 0.000 0.000 0.218 393 G C 0.389 175.333 174.900 0.073 0.000 1.170 393 G CA 0.332 45.465 45.100 0.055 0.000 0.769 393 G HN 0.651 nan 8.290 nan 0.000 0.546 394 S N -0.226 115.489 115.700 0.025 0.000 2.603 394 S HA 0.620 5.091 4.470 0.000 0.000 0.268 394 S C -0.511 174.188 174.600 0.165 0.000 1.317 394 S CA -0.462 57.752 58.200 0.023 0.000 1.012 394 S CB 1.751 64.877 63.200 -0.123 0.000 0.926 394 S HN -0.033 nan 8.310 nan 0.000 0.539 395 I N 1.989 122.625 120.570 0.111 0.000 2.439 395 I HA 0.303 4.473 4.170 0.000 0.000 0.285 395 I C -0.230 175.941 176.117 0.090 0.000 1.021 395 I CA -0.016 61.343 61.300 0.099 0.000 1.091 395 I CB 1.983 39.944 38.000 -0.066 0.000 1.242 395 I HN 0.640 nan 8.210 nan 0.000 0.439 396 S N 6.703 122.500 115.700 0.162 0.000 2.513 396 S HA 0.617 5.087 4.470 0.000 0.000 0.276 396 S C -0.274 174.355 174.600 0.047 0.000 1.254 396 S CA -0.556 57.715 58.200 0.118 0.000 1.053 396 S CB 0.617 63.940 63.200 0.205 0.000 0.958 396 S HN 0.338 nan 8.310 nan 0.000 0.491 397 L N 4.347 125.583 121.223 0.021 0.000 2.305 397 L HA 0.577 4.917 4.340 0.000 0.000 0.284 397 L C -0.771 176.084 176.870 -0.026 0.000 1.013 397 L CA -0.405 54.427 54.840 -0.013 0.000 0.819 397 L CB 0.914 42.961 42.059 -0.020 0.000 1.227 397 L HN 0.507 nan 8.230 nan 0.000 0.417 398 I N 2.248 122.857 120.570 0.066 0.000 2.406 398 I HA 0.358 4.528 4.170 0.000 0.000 0.290 398 I C 0.795 176.943 176.117 0.051 0.000 0.999 398 I CA -0.537 60.829 61.300 0.110 0.000 1.124 398 I CB 1.988 40.173 38.000 0.309 0.000 1.289 398 I HN 0.605 nan 8.210 nan 0.000 0.441 399 G N 2.777 111.539 108.800 -0.063 0.000 2.343 399 G HA2 0.309 4.269 3.960 0.000 0.000 0.254 399 G HA3 0.309 4.269 3.960 0.000 0.000 0.254 399 G C 0.562 175.290 174.900 -0.286 0.000 1.277 399 G CA -0.128 44.882 45.100 -0.151 0.000 0.909 399 G HN 0.739 nan 8.290 nan 0.000 0.502 400 T N -0.792 113.621 114.554 -0.236 0.000 3.293 400 T HA 0.261 4.611 4.350 0.000 0.000 0.276 400 T C -0.193 174.325 174.700 -0.303 0.000 1.003 400 T CA -0.526 61.400 62.100 -0.290 0.000 0.916 400 T CB 0.541 69.495 68.868 0.142 0.000 1.134 400 T HN 0.356 nan 8.240 nan 0.000 0.530 401 D N 2.103 122.278 120.400 -0.375 0.000 2.378 401 D HA 0.318 4.958 4.640 0.000 0.000 0.265 401 D C -1.751 174.431 176.300 -0.196 0.000 1.229 401 D CA -2.299 51.608 54.000 -0.155 0.000 0.914 401 D CB 1.987 42.781 40.800 -0.011 0.000 1.140 401 D HN 0.021 nan 8.370 nan 0.000 0.516 402 P HA -0.065 nan 4.420 nan 0.000 0.225 402 P C 1.158 178.435 177.300 -0.038 0.000 1.156 402 P CA 0.363 63.356 63.100 -0.179 0.000 0.787 402 P CB 0.759 32.410 31.700 -0.082 0.000 0.802 403 K N -0.060 120.354 120.400 0.022 0.000 2.044 403 K HA 0.020 4.340 4.320 0.000 0.000 0.204 403 K C 1.199 177.802 176.600 0.006 0.000 1.049 403 K CA 1.020 57.327 56.287 0.034 0.000 0.945 403 K CB -0.106 32.433 32.500 0.065 0.000 0.724 403 K HN 0.130 nan 8.250 nan 0.000 0.440 404 N N -0.159 118.559 118.700 0.030 0.000 2.184 404 N HA 0.024 4.764 4.740 0.000 0.000 0.206 404 N C -0.482 174.905 175.510 -0.204 0.000 1.151 404 N CA 0.270 53.300 53.050 -0.033 0.000 0.878 404 N CB 0.670 39.179 38.487 0.037 0.000 1.014 404 N HN 0.174 nan 8.380 nan 0.000 0.512 405 H N -1.444 117.587 119.070 -0.066 0.000 2.823 405 H HA 0.262 4.818 4.556 0.000 0.000 0.222 405 H C -1.927 173.292 175.328 -0.182 0.000 1.414 405 H CA -0.927 55.071 56.048 -0.084 0.000 1.289 405 H CB 1.219 30.997 29.762 0.027 0.000 1.970 405 H HN -0.018 nan 8.280 nan 0.000 0.517 406 P HA -0.188 nan 4.420 nan 0.000 0.219 406 P C 1.140 178.311 177.300 -0.215 0.000 1.146 406 P CA 1.265 64.266 63.100 -0.166 0.000 0.808 406 P CB 0.414 32.038 31.700 -0.126 0.000 0.779 407 Q N -2.051 117.550 119.800 -0.331 0.000 2.226 407 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 407 Q C 1.056 176.808 176.000 -0.412 0.000 0.975 407 Q CA 1.504 57.029 55.803 -0.464 0.000 0.866 407 Q CB -0.944 27.298 28.738 -0.827 0.000 0.915 407 Q HN 0.427 nan 8.270 nan 0.000 0.440 408 Y N -0.511 119.755 120.300 -0.057 0.000 2.444 408 Y HA 0.521 5.071 4.550 0.000 0.000 0.249 408 Y C 0.419 176.171 175.900 -0.247 0.000 1.134 408 Y CA -1.036 56.997 58.100 -0.112 0.000 1.261 408 Y CB -0.270 38.160 38.460 -0.051 0.000 1.143 408 Y HN -0.032 nan 8.280 nan 0.000 0.523 409 A N 0.123 122.784 122.820 -0.265 0.000 2.537 409 A HA 0.141 4.461 4.320 0.000 0.000 0.260 409 A C -0.060 177.148 177.584 -0.627 0.000 1.082 409 A CA -0.047 51.538 52.037 -0.753 0.000 0.765 409 A CB -1.251 17.225 19.000 -0.873 0.000 1.019 409 A HN 0.722 nan 8.150 nan 0.000 0.507 410 W N 0.374 121.647 121.300 -0.045 0.000 4.141 410 W HA -0.211 4.449 4.660 0.000 0.000 0.336 410 W C 0.259 176.768 176.519 -0.017 0.000 1.258 410 W CA 0.661 57.978 57.345 -0.047 0.000 0.747 410 W CB -1.709 27.710 29.460 -0.069 0.000 2.338 410 W HN 0.658 nan 8.180 nan 0.000 1.410 411 K N 1.214 121.665 120.400 0.085 0.000 2.207 411 K HA 0.329 4.649 4.320 0.000 0.000 0.255 411 K C 0.282 176.885 176.600 0.006 0.000 0.941 411 K CA -1.215 55.103 56.287 0.052 0.000 0.825 411 K CB 1.625 34.145 32.500 0.034 0.000 1.119 411 K HN -0.157 nan 8.250 nan 0.000 0.430 412 K N 3.687 124.091 120.400 0.007 0.000 2.083 412 K HA 0.036 4.356 4.320 0.000 0.000 0.246 412 K C 0.711 177.236 176.600 -0.126 0.000 1.160 412 K CA 0.005 56.279 56.287 -0.021 0.000 1.060 412 K CB 0.253 32.765 32.500 0.020 0.000 1.417 412 K HN 0.429 nan 8.250 nan 0.000 0.329 413 V N 2.605 122.361 119.914 -0.264 0.000 2.407 413 V HA -0.150 3.970 4.120 0.000 0.000 0.248 413 V C 0.734 176.436 176.094 -0.653 0.000 1.055 413 V CA 2.038 63.973 62.300 -0.607 0.000 1.049 413 V CB -0.126 31.157 31.823 -0.899 0.000 0.662 413 V HN 0.843 nan 8.190 nan 0.000 0.455 414 A N -1.526 121.072 122.820 -0.371 0.000 2.586 414 A HA 0.712 5.032 4.320 0.000 0.000 0.290 414 A C -1.092 176.463 177.584 -0.048 0.000 1.086 414 A CA -0.683 51.255 52.037 -0.167 0.000 0.665 414 A CB 1.280 20.235 19.000 -0.076 0.000 1.279 414 A HN 0.245 nan 8.150 nan 0.000 0.423 415 E N -0.200 120.006 120.200 0.009 0.000 2.343 415 E HA 0.710 5.060 4.350 0.000 0.000 0.270 415 E C -1.500 175.124 176.600 0.040 0.000 0.895 415 E CA -0.607 55.806 56.400 0.022 0.000 0.767 415 E CB 2.428 32.138 29.700 0.017 0.000 1.248 415 E HN 0.530 nan 8.360 nan 0.000 0.440 416 L N 1.553 122.783 121.223 0.011 0.000 2.333 416 L HA 0.441 4.781 4.340 0.000 0.000 0.263 416 L C -0.734 176.191 176.870 0.091 0.000 1.014 416 L CA -1.110 53.731 54.840 0.002 0.000 0.820 416 L CB 1.943 43.820 42.059 -0.304 0.000 1.352 416 L HN 0.281 nan 8.230 nan 0.000 0.421 417 Q N 1.063 121.020 119.800 0.261 0.000 2.331 417 Q HA 0.521 4.861 4.340 0.000 0.000 0.267 417 Q C -0.069 176.208 176.000 0.461 0.000 1.006 417 Q CA -0.352 55.627 55.803 0.293 0.000 0.818 417 Q CB 2.323 31.206 28.738 0.242 0.000 1.276 417 Q HN 0.825 nan 8.270 nan 0.000 0.450 418 G N 0.686 109.632 108.800 0.244 0.000 2.702 418 G HA2 0.156 4.116 3.960 0.000 0.000 0.254 418 G HA3 0.156 4.116 3.960 0.000 0.000 0.254 418 G C 0.510 175.324 174.900 -0.143 0.000 1.380 418 G CA -0.214 44.860 45.100 -0.044 0.000 1.042 418 G HN 0.541 nan 8.290 nan 0.000 0.557 419 Q N -0.734 118.864 119.800 -0.336 0.000 2.167 419 Q HA 0.197 4.537 4.340 0.000 0.000 0.202 419 Q C 1.139 177.137 176.000 -0.004 0.000 0.970 419 Q CA 1.116 56.850 55.803 -0.115 0.000 0.855 419 Q CB 0.051 28.695 28.738 -0.156 0.000 0.911 419 Q HN 0.702 nan 8.270 nan 0.000 0.438 420 G N -1.076 107.719 108.800 -0.009 0.000 2.344 420 G HA2 0.303 4.263 3.960 0.000 0.000 0.282 420 G HA3 0.303 4.263 3.960 0.000 0.000 0.282 420 G C -0.843 174.071 174.900 0.024 0.000 1.281 420 G CA -0.672 44.438 45.100 0.017 0.000 0.877 420 G HN 0.230 nan 8.290 nan 0.000 0.494 421 G N -1.708 107.108 108.800 0.027 0.000 2.621 421 G HA2 0.572 4.532 3.960 0.000 0.000 0.271 421 G HA3 0.572 4.532 3.960 0.000 0.000 0.271 421 G C 1.299 176.224 174.900 0.042 0.000 1.236 421 G CA 1.197 46.321 45.100 0.039 0.000 0.958 421 G HN 2.407 nan 8.290 nan 0.000 0.512 422 G N -1.720 107.114 108.800 0.056 0.000 2.136 422 G HA2 -0.158 3.802 3.960 0.000 0.000 0.242 422 G HA3 -0.158 3.802 3.960 0.000 0.000 0.242 422 G C 0.553 175.490 174.900 0.061 0.000 0.989 422 G CA 0.724 45.877 45.100 0.088 0.000 0.682 422 G HN 1.310 nan 8.290 nan 0.000 0.522 423 S N -1.035 114.684 115.700 0.032 0.000 2.565 423 S HA 0.652 5.122 4.470 0.000 0.000 0.274 423 S C 1.118 175.664 174.600 -0.090 0.000 1.309 423 S CA -0.093 58.109 58.200 0.004 0.000 1.043 423 S CB 1.242 64.464 63.200 0.038 0.000 0.939 423 S HN 0.498 nan 8.310 nan 0.000 0.504 424 L N 3.716 124.842 121.223 -0.161 0.000 2.600 424 L HA 0.607 4.947 4.340 0.000 0.000 0.213 424 L C -0.951 175.556 176.870 -0.605 0.000 1.045 424 L CA 0.940 55.456 54.840 -0.541 0.000 0.863 424 L CB 0.130 41.843 42.059 -0.575 0.000 1.189 424 L HN 0.674 nan 8.230 nan 0.000 0.484 425 F N -0.564 119.468 119.950 0.137 0.000 2.569 425 F HA 0.493 5.020 4.527 0.000 0.000 0.312 425 F C -0.287 175.592 175.800 0.131 0.000 1.109 425 F CA -0.841 57.244 58.000 0.142 0.000 0.919 425 F CB 1.813 40.882 39.000 0.115 0.000 1.211 425 F HN -0.310 nan 8.300 nan 0.000 0.446 426 I N 2.944 123.694 120.570 0.300 0.000 2.493 426 I HA 0.660 4.830 4.170 0.000 0.000 0.298 426 I C -1.233 175.046 176.117 0.270 0.000 0.998 426 I CA -0.644 60.796 61.300 0.233 0.000 1.137 426 I CB 1.621 39.678 38.000 0.095 0.000 1.310 426 I HN 0.617 nan 8.210 nan 0.000 0.445 427 K N 3.613 124.218 120.400 0.342 0.000 2.546 427 K HA 0.665 4.985 4.320 0.000 0.000 0.264 427 K C -1.184 175.737 176.600 0.534 0.000 0.937 427 K CA -0.438 56.094 56.287 0.409 0.000 0.833 427 K CB 2.190 34.928 32.500 0.397 0.000 1.378 427 K HN 0.654 nan 8.250 nan 0.000 0.432 428 T N 0.344 115.178 114.554 0.467 0.000 2.711 428 T HA 0.438 4.789 4.350 0.000 0.000 0.302 428 T C -2.205 172.486 174.700 -0.015 0.000 1.373 428 T CA -0.500 61.805 62.100 0.342 0.000 1.000 428 T CB 0.762 69.772 68.868 0.238 0.000 1.483 428 T HN 0.567 nan 8.240 nan 0.000 0.499 429 H N 0.328 119.212 119.070 -0.310 0.000 2.996 429 H HA 0.373 4.929 4.556 0.000 0.000 0.368 429 H C -2.374 172.884 175.328 -0.116 0.000 1.185 429 H CA -1.524 54.297 56.048 -0.379 0.000 1.160 429 H CB 2.504 31.717 29.762 -0.915 0.000 1.820 429 H HN 0.323 nan 8.280 nan 0.000 0.547 430 P HA -0.085 nan 4.420 nan 0.000 0.216 430 P C 0.533 177.898 177.300 0.108 0.000 1.150 430 P CA 1.618 64.687 63.100 -0.052 0.000 0.843 430 P CB 0.308 31.915 31.700 -0.155 0.000 0.787 431 K N -1.313 119.277 120.400 0.317 0.000 2.417 431 K HA 0.160 4.480 4.320 0.000 0.000 0.196 431 K C 0.645 177.349 176.600 0.173 0.000 1.023 431 K CA 0.023 56.447 56.287 0.227 0.000 1.122 431 K CB 0.207 32.841 32.500 0.224 0.000 0.850 431 K HN 0.020 nan 8.250 nan 0.000 0.521 432 S N 0.142 115.951 115.700 0.181 0.000 2.532 432 S HA 0.205 4.675 4.470 0.000 0.000 0.301 432 S C 0.405 175.056 174.600 0.085 0.000 1.083 432 S CA -0.846 57.461 58.200 0.178 0.000 1.025 432 S CB 1.424 64.809 63.200 0.309 0.000 1.056 432 S HN 0.173 nan 8.310 nan 0.000 0.494 433 S N 2.334 118.014 115.700 -0.033 0.000 2.574 433 S HA 0.384 4.854 4.470 0.000 0.000 0.242 433 S C -0.262 174.131 174.600 -0.345 0.000 0.982 433 S CA -0.383 57.705 58.200 -0.185 0.000 0.977 433 S CB -0.509 62.555 63.200 -0.226 0.000 0.814 433 S HN 0.777 nan 8.310 nan 0.000 0.464 434 H N 0.045 119.174 119.070 0.098 0.000 2.679 434 H HA 0.718 5.274 4.556 0.000 0.000 0.367 434 H C -1.339 174.009 175.328 0.034 0.000 1.162 434 H CA -0.910 55.150 56.048 0.019 0.000 1.181 434 H CB 1.803 31.566 29.762 0.001 0.000 1.693 434 H HN 0.197 nan 8.280 nan 0.000 0.538 435 L N 3.110 124.366 121.223 0.055 0.000 2.372 435 L HA 0.361 4.701 4.340 0.000 0.000 0.274 435 L C -1.765 175.169 176.870 0.107 0.000 0.988 435 L CA -0.425 54.480 54.840 0.109 0.000 0.833 435 L CB 0.313 42.352 42.059 -0.033 0.000 1.236 435 L HN 0.541 nan 8.230 nan 0.000 0.410 436 Y N 3.880 124.375 120.300 0.327 0.000 2.334 436 Y HA 0.709 5.259 4.550 0.000 0.000 0.328 436 Y C -0.146 175.924 175.900 0.283 0.000 1.130 436 Y CA -0.724 57.560 58.100 0.307 0.000 1.163 436 Y CB 1.855 40.510 38.460 0.325 0.000 1.207 436 Y HN 0.256 nan 8.280 nan 0.000 0.471 437 V N 3.320 123.459 119.914 0.375 0.000 2.569 437 V HA 0.247 4.367 4.120 0.000 0.000 0.301 437 V C -0.779 175.428 176.094 0.188 0.000 1.044 437 V CA -1.084 61.376 62.300 0.267 0.000 0.874 437 V CB 1.540 33.505 31.823 0.236 0.000 1.002 437 V HN 0.830 nan 8.190 nan 0.000 0.424 438 D N 2.595 123.116 120.400 0.202 0.000 2.451 438 D HA 0.569 5.209 4.640 0.000 0.000 0.259 438 D C 0.394 176.727 176.300 0.056 0.000 1.201 438 D CA -0.299 53.783 54.000 0.138 0.000 1.028 438 D CB 1.370 42.295 40.800 0.209 0.000 1.095 438 D HN 0.567 nan 8.370 nan 0.000 0.539 439 T N -4.292 110.269 114.554 0.012 0.000 4.047 439 T HA 0.182 4.532 4.350 0.000 0.000 0.286 439 T C 0.879 175.553 174.700 -0.043 0.000 0.945 439 T CA -0.411 61.681 62.100 -0.014 0.000 1.079 439 T CB -0.661 68.188 68.868 -0.032 0.000 1.094 439 T HN 0.341 nan 8.240 nan 0.000 0.492 440 T N 1.540 116.046 114.554 -0.080 0.000 2.624 440 T HA -0.168 4.182 4.350 0.000 0.000 0.266 440 T C 0.712 175.199 174.700 -0.356 0.000 1.050 440 T CA 1.811 63.767 62.100 -0.240 0.000 1.163 440 T CB -0.465 68.196 68.868 -0.344 0.000 0.861 440 T HN 0.490 nan 8.240 nan 0.000 0.443 441 F N 1.398 121.347 119.950 -0.003 0.000 2.645 441 F HA 0.346 4.873 4.527 0.000 0.000 0.300 441 F C 1.044 176.821 175.800 -0.039 0.000 1.115 441 F CA -1.282 56.702 58.000 -0.026 0.000 1.355 441 F CB -0.436 38.547 39.000 -0.029 0.000 1.026 441 F HN 0.061 nan 8.300 nan 0.000 0.536 442 N N 3.095 121.844 118.700 0.083 0.000 2.497 442 N HA 0.028 4.768 4.740 0.000 0.000 0.268 442 N C -1.437 174.087 175.510 0.023 0.000 1.171 442 N CA -1.016 52.057 53.050 0.040 0.000 0.948 442 N CB 1.362 39.852 38.487 0.005 0.000 1.069 442 N HN -0.018 nan 8.380 nan 0.000 0.460 443 P HA -0.099 nan 4.420 nan 0.000 0.223 443 P C -0.118 177.172 177.300 -0.017 0.000 1.144 443 P CA 0.848 63.947 63.100 -0.002 0.000 0.783 443 P CB 0.224 31.918 31.700 -0.010 0.000 0.771 444 D N -0.717 119.672 120.400 -0.019 0.000 2.264 444 D HA 0.359 4.999 4.640 0.000 0.000 0.250 444 D C 1.336 177.612 176.300 -0.039 0.000 1.113 444 D CA -0.276 53.708 54.000 -0.028 0.000 0.871 444 D CB 1.260 42.045 40.800 -0.025 0.000 1.167 444 D HN -0.132 nan 8.370 nan 0.000 0.447 445 A N 4.806 127.599 122.820 -0.045 0.000 1.858 445 A HA -0.180 4.141 4.320 0.000 0.000 0.216 445 A C 2.110 179.654 177.584 -0.066 0.000 1.190 445 A CA 1.422 53.425 52.037 -0.057 0.000 0.617 445 A CB -0.460 18.508 19.000 -0.054 0.000 0.827 445 A HN 0.723 nan 8.150 nan 0.000 0.443 446 R N -0.350 120.112 120.500 -0.063 0.000 2.091 446 R HA -0.108 4.232 4.340 0.000 0.000 0.238 446 R C 1.970 178.220 176.300 -0.083 0.000 1.136 446 R CA 1.839 57.894 56.100 -0.075 0.000 0.959 446 R CB -0.391 29.870 30.300 -0.065 0.000 0.856 446 R HN 0.586 nan 8.270 nan 0.000 0.437 447 I N 0.528 121.059 120.570 -0.065 0.000 2.252 447 I HA -0.241 3.929 4.170 0.000 0.000 0.245 447 I C 2.384 178.456 176.117 -0.076 0.000 1.102 447 I CA 1.509 62.770 61.300 -0.065 0.000 1.385 447 I CB -0.288 37.687 38.000 -0.042 0.000 1.064 447 I HN 0.301 nan 8.210 nan 0.000 0.414 448 S N 0.008 115.665 115.700 -0.071 0.000 2.453 448 S HA -0.159 4.311 4.470 0.000 0.000 0.231 448 S C 1.705 176.248 174.600 -0.095 0.000 1.005 448 S CA 0.681 58.833 58.200 -0.081 0.000 0.949 448 S CB -0.294 62.856 63.200 -0.083 0.000 0.774 448 S HN 0.516 nan 8.310 nan 0.000 0.510 449 Q N 1.318 121.056 119.800 -0.104 0.000 2.280 449 Q HA 0.252 4.592 4.340 0.000 0.000 0.201 449 Q C 0.182 176.083 176.000 -0.165 0.000 0.890 449 Q CA 0.061 55.793 55.803 -0.119 0.000 0.947 449 Q CB 0.507 29.178 28.738 -0.112 0.000 1.081 449 Q HN 0.761 nan 8.270 nan 0.000 0.502 450 S N -1.103 114.497 115.700 -0.167 0.000 2.661 450 S HA 0.754 5.224 4.470 0.000 0.000 0.285 450 S C -0.494 173.991 174.600 -0.191 0.000 1.138 450 S CA -0.893 57.171 58.200 -0.225 0.000 0.855 450 S CB 1.900 64.970 63.200 -0.217 0.000 1.136 450 S HN 0.045 nan 8.310 nan 0.000 0.484 451 V N -1.972 117.801 119.914 -0.234 0.000 2.914 451 V HA 0.997 5.117 4.120 0.000 0.000 0.314 451 V C -0.146 175.866 176.094 -0.137 0.000 1.084 451 V CA -0.923 61.295 62.300 -0.136 0.000 0.963 451 V CB 1.046 32.821 31.823 -0.079 0.000 1.025 451 V HN 1.511 nan 8.190 nan 0.000 0.432 452 A N 2.911 125.651 122.820 -0.133 0.000 2.305 452 A HA 0.856 5.176 4.320 0.000 0.000 0.322 452 A C -0.473 177.003 177.584 -0.181 0.000 1.187 452 A CA -0.609 51.258 52.037 -0.283 0.000 0.825 452 A CB 1.218 19.810 19.000 -0.679 0.000 1.164 452 A HN 1.524 nan 8.150 nan 0.000 0.498 453 V N 2.463 122.219 119.914 -0.262 0.000 2.444 453 V HA 0.502 4.622 4.120 0.000 0.000 0.294 453 V C -0.905 175.004 176.094 -0.307 0.000 1.022 453 V CA -0.362 61.756 62.300 -0.303 0.000 0.850 453 V CB 0.794 32.388 31.823 -0.382 0.000 0.992 453 V HN 0.725 nan 8.190 nan 0.000 0.426 454 F N 1.663 121.574 119.950 -0.065 0.000 2.440 454 F HA 0.546 5.074 4.527 0.000 0.000 0.328 454 F C 0.413 176.216 175.800 0.004 0.000 1.070 454 F CA -0.655 57.344 58.000 -0.001 0.000 1.011 454 F CB 1.169 40.158 39.000 -0.018 0.000 1.226 454 F HN 0.424 nan 8.300 nan 0.000 0.491 455 D N 1.849 122.365 120.400 0.194 0.000 2.329 455 D HA 0.252 4.892 4.640 0.000 0.000 0.232 455 D C 0.659 176.954 176.300 -0.009 0.000 1.088 455 D CA -0.058 53.990 54.000 0.080 0.000 0.835 455 D CB 1.058 41.896 40.800 0.063 0.000 1.078 455 D HN 0.478 nan 8.370 nan 0.000 0.495 456 L N 3.068 124.221 121.223 -0.117 0.000 2.376 456 L HA -0.027 4.313 4.340 0.000 0.000 0.219 456 L C 1.850 178.648 176.870 -0.120 0.000 1.133 456 L CA 0.758 55.481 54.840 -0.195 0.000 0.816 456 L CB -0.012 41.877 42.059 -0.284 0.000 0.933 456 L HN 0.276 nan 8.230 nan 0.000 0.449 457 K N -0.304 120.044 120.400 -0.086 0.000 2.444 457 K HA 0.040 4.360 4.320 0.000 0.000 0.193 457 K C 0.146 176.726 176.600 -0.033 0.000 1.024 457 K CA 0.082 56.336 56.287 -0.055 0.000 1.077 457 K CB 0.167 32.638 32.500 -0.049 0.000 0.833 457 K HN 0.037 nan 8.250 nan 0.000 0.517 458 N N 0.649 119.335 118.700 -0.023 0.000 2.884 458 N HA 0.111 4.851 4.740 0.000 0.000 0.211 458 N C -0.195 175.337 175.510 0.036 0.000 1.442 458 N CA -0.060 52.993 53.050 0.005 0.000 0.757 458 N CB 0.246 38.741 38.487 0.013 0.000 1.461 458 N HN -0.070 nan 8.380 nan 0.000 0.557 459 L N -0.296 120.943 121.223 0.026 0.000 2.551 459 L HA 0.079 4.419 4.340 0.000 0.000 0.228 459 L C 0.905 177.850 176.870 0.124 0.000 1.153 459 L CA 0.557 55.444 54.840 0.079 0.000 0.851 459 L CB 0.107 42.187 42.059 0.035 0.000 0.959 459 L HN 0.316 nan 8.230 nan 0.000 0.451 460 D N 0.674 121.129 120.400 0.092 0.000 2.249 460 D HA 0.047 4.687 4.640 0.000 0.000 0.205 460 D C 1.134 177.484 176.300 0.084 0.000 0.962 460 D CA 0.430 54.484 54.000 0.090 0.000 0.860 460 D CB 0.287 41.124 40.800 0.063 0.000 0.955 460 D HN 0.245 nan 8.370 nan 0.000 0.505 461 A N 1.108 123.972 122.820 0.074 0.000 2.371 461 A HA 0.180 4.500 4.320 0.000 0.000 0.257 461 A C 0.626 178.242 177.584 0.053 0.000 1.089 461 A CA -0.313 51.748 52.037 0.041 0.000 0.794 461 A CB 0.728 19.740 19.000 0.020 0.000 1.029 461 A HN -0.052 nan 8.150 nan 0.000 0.488 462 K N 0.840 121.215 120.400 -0.043 0.000 2.276 462 K HA 0.234 4.554 4.320 0.000 0.000 0.259 462 K C -0.226 176.202 176.600 -0.286 0.000 1.001 462 K CA -0.165 56.021 56.287 -0.169 0.000 0.927 462 K CB 0.162 32.466 32.500 -0.326 0.000 0.969 462 K HN 0.685 nan 8.250 nan 0.000 0.490 463 Y N -0.105 119.969 120.300 -0.377 0.000 2.279 463 Y HA 0.131 4.681 4.550 0.000 0.000 0.350 463 Y C -0.229 175.467 175.900 -0.340 0.000 1.288 463 Y CA -0.602 57.126 58.100 -0.621 0.000 1.547 463 Y CB 0.241 38.029 38.460 -1.120 0.000 1.381 463 Y HN 0.398 nan 8.280 nan 0.000 0.630 464 Q N 0.825 120.561 119.800 -0.108 0.000 2.331 464 Q HA 0.520 4.860 4.340 0.000 0.000 0.267 464 Q C -1.381 174.609 176.000 -0.016 0.000 1.006 464 Q CA -1.104 54.647 55.803 -0.086 0.000 0.818 464 Q CB 2.637 31.320 28.738 -0.092 0.000 1.276 464 Q HN 0.615 nan 8.270 nan 0.000 0.450 465 V N 3.798 123.703 119.914 -0.016 0.000 2.488 465 V HA 0.130 4.250 4.120 0.000 0.000 0.277 465 V C -0.370 175.612 176.094 -0.188 0.000 1.046 465 V CA -0.283 61.981 62.300 -0.060 0.000 0.986 465 V CB 0.665 32.463 31.823 -0.041 0.000 0.989 465 V HN 0.540 nan 8.190 nan 0.000 0.475 466 L N 8.907 129.963 121.223 -0.278 0.000 2.280 466 L HA 0.475 4.815 4.340 0.000 0.000 0.287 466 L C -1.932 174.520 176.870 -0.696 0.000 1.023 466 L CA -1.758 52.781 54.840 -0.501 0.000 0.819 466 L CB 1.919 43.746 42.059 -0.386 0.000 1.212 466 L HN 0.436 nan 8.230 nan 0.000 0.420 467 P HA 0.076 nan 4.420 nan 0.000 0.230 467 P C 1.015 177.746 177.300 -0.949 0.000 1.791 467 P CA -0.209 62.387 63.100 -0.840 0.000 1.020 467 P CB 0.134 31.393 31.700 -0.734 0.000 1.977 468 I N 1.690 121.858 120.570 -0.670 0.000 2.118 468 I HA -0.253 3.917 4.170 0.000 0.000 0.241 468 I C 2.362 178.379 176.117 -0.166 0.000 1.070 468 I CA 1.784 62.848 61.300 -0.392 0.000 1.327 468 I CB -2.034 35.691 38.000 -0.458 0.000 1.034 468 I HN 0.163 nan 8.210 nan 0.000 0.405 469 A N 0.085 122.803 122.820 -0.170 0.000 1.930 469 A HA -0.224 4.096 4.320 0.000 0.000 0.217 469 A C 2.384 179.935 177.584 -0.055 0.000 1.175 469 A CA 1.655 53.641 52.037 -0.085 0.000 0.627 469 A CB -0.672 18.275 19.000 -0.088 0.000 0.815 469 A HN 0.545 nan 8.150 nan 0.000 0.443 470 E N -1.276 118.860 120.200 -0.108 0.000 2.106 470 E HA -0.208 4.142 4.350 0.000 0.000 0.192 470 E C 1.655 178.306 176.600 0.085 0.000 0.984 470 E CA 1.132 57.498 56.400 -0.057 0.000 0.806 470 E CB -0.182 29.436 29.700 -0.136 0.000 0.750 470 E HN 0.772 nan 8.360 nan 0.000 0.458 471 W N 0.416 121.667 121.300 -0.083 0.000 2.425 471 W HA 0.050 4.710 4.660 0.000 0.000 0.277 471 W C 2.311 178.783 176.519 -0.079 0.000 1.231 471 W CA 0.941 58.235 57.345 -0.084 0.000 1.248 471 W CB -0.839 28.559 29.460 -0.103 0.000 1.117 471 W HN 0.187 nan 8.180 nan 0.000 0.568 472 A N -0.144 122.769 122.820 0.155 0.000 2.015 472 A HA -0.143 4.177 4.320 0.000 0.000 0.219 472 A C 0.697 178.301 177.584 0.034 0.000 1.163 472 A CA 1.403 53.477 52.037 0.061 0.000 0.646 472 A CB -0.690 18.331 19.000 0.035 0.000 0.806 472 A HN 0.172 nan 8.150 nan 0.000 0.448 473 D N -1.895 118.530 120.400 0.040 0.000 2.927 473 D HA -0.137 4.503 4.640 0.000 0.000 0.236 473 D C 0.249 176.554 176.300 0.007 0.000 1.163 473 D CA 0.725 54.738 54.000 0.021 0.000 0.801 473 D CB -1.405 39.405 40.800 0.017 0.000 0.975 473 D HN 0.420 nan 8.370 nan 0.000 0.413 474 L N 0.115 121.340 121.223 0.004 0.000 2.575 474 L HA 0.433 4.773 4.340 0.000 0.000 0.228 474 L C 2.091 178.959 176.870 -0.004 0.000 1.075 474 L CA 0.346 55.186 54.840 0.000 0.000 0.867 474 L CB -0.060 42.000 42.059 0.001 0.000 1.097 474 L HN 0.599 nan 8.230 nan 0.000 0.485 475 G N 1.392 110.188 108.800 -0.007 0.000 2.578 475 G HA2 -0.233 3.727 3.960 0.000 0.000 0.232 475 G HA3 -0.233 3.727 3.960 0.000 0.000 0.232 475 G C -0.235 174.656 174.900 -0.016 0.000 1.176 475 G CA 0.019 45.113 45.100 -0.010 0.000 0.968 475 G HN 0.396 nan 8.290 nan 0.000 0.583 476 E N 0.801 120.993 120.200 -0.015 0.000 2.349 476 E HA 0.565 4.915 4.350 0.000 0.000 0.262 476 E C 0.385 176.970 176.600 -0.025 0.000 1.088 476 E CA -0.201 56.188 56.400 -0.020 0.000 0.899 476 E CB 1.510 31.201 29.700 -0.016 0.000 1.044 476 E HN 2.446 nan 8.360 nan 0.000 0.420 477 G N -0.082 108.698 108.800 -0.034 0.000 2.406 477 G HA2 0.147 4.107 3.960 0.000 0.000 0.680 477 G HA3 0.147 4.107 3.960 0.000 0.000 0.680 477 G C 0.282 175.143 174.900 -0.066 0.000 1.338 477 G CA -0.257 44.814 45.100 -0.048 0.000 0.941 477 G HN 0.744 nan 8.290 nan 0.000 0.633 478 A N 0.295 123.059 122.820 -0.093 0.000 1.978 478 A HA 0.175 4.496 4.320 0.000 0.000 0.220 478 A C 1.684 179.199 177.584 -0.115 0.000 1.170 478 A CA 2.349 54.317 52.037 -0.115 0.000 0.636 478 A CB -0.667 18.236 19.000 -0.162 0.000 0.810 478 A HN 1.767 nan 8.150 nan 0.000 0.448 479 K N -0.772 119.563 120.400 -0.108 0.000 3.071 479 K HA -0.198 4.122 4.320 0.000 0.000 0.262 479 K C -0.611 175.941 176.600 -0.080 0.000 0.977 479 K CA 0.688 56.929 56.287 -0.076 0.000 0.721 479 K CB -1.269 31.198 32.500 -0.055 0.000 1.293 479 K HN 0.647 nan 8.250 nan 0.000 0.475 480 R N 0.493 120.918 120.500 -0.126 0.000 2.522 480 R HA 0.122 4.462 4.340 0.000 0.000 0.284 480 R C 0.334 176.633 176.300 -0.001 0.000 1.032 480 R CA -0.189 55.840 56.100 -0.118 0.000 1.049 480 R CB 0.629 30.776 30.300 -0.254 0.000 0.956 480 R HN -0.050 nan 8.270 nan 0.000 0.422 481 V N 4.524 124.431 119.914 -0.010 0.000 2.439 481 V HA 0.353 4.473 4.120 0.000 0.000 0.282 481 V C -0.070 176.084 176.094 0.099 0.000 1.039 481 V CA -0.392 61.938 62.300 0.049 0.000 0.913 481 V CB 1.614 33.428 31.823 -0.015 0.000 0.983 481 V HN 0.479 nan 8.190 nan 0.000 0.460 482 V N 5.072 125.084 119.914 0.164 0.000 2.971 482 V HA 0.549 4.669 4.120 0.000 0.000 0.309 482 V C -0.473 175.705 176.094 0.140 0.000 1.130 482 V CA -0.369 62.044 62.300 0.188 0.000 0.964 482 V CB 1.815 33.747 31.823 0.182 0.000 1.029 482 V HN 1.053 nan 8.190 nan 0.000 0.427 483 Q N 4.057 123.958 119.800 0.167 0.000 2.630 483 Q HA -0.120 4.220 4.340 0.000 0.000 0.210 483 Q C -2.603 173.294 176.000 -0.173 0.000 1.400 483 Q CA 0.210 55.917 55.803 -0.161 0.000 0.668 483 Q CB -0.128 28.213 28.738 -0.661 0.000 0.781 483 Q HN 0.571 nan 8.270 nan 0.000 0.311 484 P HA 0.218 nan 4.420 nan 0.000 0.286 484 P C -1.105 175.997 177.300 -0.330 0.000 1.269 484 P CA 0.077 62.917 63.100 -0.434 0.000 0.787 484 P CB 1.186 32.800 31.700 -0.142 0.000 0.920 485 E N 2.732 122.691 120.200 -0.401 0.000 2.290 485 E HA 0.358 4.708 4.350 0.000 0.000 0.274 485 E C -1.491 175.088 176.600 -0.035 0.000 0.889 485 E CA -0.643 55.686 56.400 -0.118 0.000 0.760 485 E CB 0.571 30.201 29.700 -0.117 0.000 1.206 485 E HN 0.199 nan 8.360 nan 0.000 0.419 486 Y N 2.275 122.578 120.300 0.006 0.000 2.340 486 Y HA 0.318 4.868 4.550 0.000 0.000 0.327 486 Y C 1.225 177.153 175.900 0.047 0.000 1.321 486 Y CA -0.189 57.943 58.100 0.054 0.000 1.433 486 Y CB 0.632 39.145 38.460 0.087 0.000 1.373 486 Y HN 0.652 nan 8.280 nan 0.000 0.538 487 N N 0.248 119.105 118.700 0.261 0.000 2.491 487 N HA 0.114 4.854 4.740 0.000 0.000 0.279 487 N C 0.753 176.299 175.510 0.059 0.000 1.236 487 N CA -0.595 52.526 53.050 0.119 0.000 0.982 487 N CB 0.577 39.209 38.487 0.241 0.000 1.194 487 N HN 0.613 nan 8.380 nan 0.000 0.582 488 K N 0.222 120.622 120.400 -0.001 0.000 2.059 488 K HA -0.179 4.141 4.320 0.000 0.000 0.212 488 K C 1.396 177.968 176.600 -0.048 0.000 1.050 488 K CA 1.638 57.909 56.287 -0.027 0.000 0.927 488 K CB -0.072 32.367 32.500 -0.101 0.000 0.714 488 K HN 0.757 nan 8.250 nan 0.000 0.447 489 R N -1.004 119.469 120.500 -0.044 0.000 2.334 489 R HA 0.132 4.472 4.340 0.000 0.000 0.216 489 R C 0.965 177.181 176.300 -0.139 0.000 0.905 489 R CA 0.630 56.696 56.100 -0.055 0.000 1.064 489 R CB 0.003 30.285 30.300 -0.029 0.000 1.046 489 R HN 0.253 nan 8.270 nan 0.000 0.508 490 G N 2.720 111.349 108.800 -0.285 0.000 2.225 490 G HA2 -0.311 3.649 3.960 0.000 0.000 0.267 490 G HA3 -0.311 3.649 3.960 0.000 0.000 0.267 490 G C 0.074 174.973 174.900 -0.002 0.000 1.024 490 G CA 0.716 45.493 45.100 -0.538 0.000 0.784 490 G HN 0.711 nan 8.290 nan 0.000 0.507 491 D N -0.326 120.127 120.400 0.088 0.000 2.369 491 D HA 0.190 4.830 4.640 0.000 0.000 0.211 491 D C 0.769 177.162 176.300 0.154 0.000 1.077 491 D CA 0.711 54.794 54.000 0.137 0.000 0.842 491 D CB 0.126 40.981 40.800 0.092 0.000 0.947 491 D HN 0.818 nan 8.370 nan 0.000 0.509 492 E N -0.430 119.869 120.200 0.165 0.000 2.331 492 E HA 0.533 4.883 4.350 0.000 0.000 0.275 492 E C -1.391 175.216 176.600 0.012 0.000 0.895 492 E CA -1.204 55.263 56.400 0.111 0.000 0.753 492 E CB 2.300 32.102 29.700 0.170 0.000 1.216 492 E HN -0.139 nan 8.360 nan 0.000 0.434 493 V N 1.569 121.352 119.914 -0.217 0.000 2.495 493 V HA 0.426 4.546 4.120 0.000 0.000 0.298 493 V C -1.013 174.849 176.094 -0.387 0.000 1.031 493 V CA -0.788 61.157 62.300 -0.590 0.000 0.871 493 V CB 0.494 31.561 31.823 -1.259 0.000 0.988 493 V HN 0.642 nan 8.190 nan 0.000 0.432 494 W N 3.685 124.543 121.300 -0.737 0.000 2.496 494 W HA 0.818 5.479 4.660 0.001 0.000 0.327 494 W C -0.675 175.333 176.519 -0.851 0.000 1.086 494 W CA -1.060 55.934 57.345 -0.586 0.000 1.222 494 W CB 1.035 30.206 29.460 -0.482 0.000 1.304 494 W HN 0.367 nan 8.180 nan 0.000 0.547 495 F N 0.780 120.719 119.950 -0.017 0.000 2.576 495 F HA 0.506 5.033 4.527 0.000 0.000 0.313 495 F C 0.203 175.987 175.800 -0.027 0.000 1.078 495 F CA -1.196 56.783 58.000 -0.035 0.000 0.921 495 F CB 1.725 40.697 39.000 -0.046 0.000 1.232 495 F HN -0.051 nan 8.300 nan 0.000 0.459 496 S N 1.313 117.110 115.700 0.162 0.000 2.437 496 S HA 0.539 5.010 4.470 0.000 0.000 0.305 496 S C -0.637 174.044 174.600 0.135 0.000 1.109 496 S CA -0.710 57.551 58.200 0.102 0.000 1.099 496 S CB 1.426 64.645 63.200 0.032 0.000 1.004 496 S HN 0.342 nan 8.310 nan 0.000 0.475 497 V N 4.469 124.452 119.914 0.115 0.000 2.284 497 V HA 0.168 4.288 4.120 0.000 0.000 0.260 497 V C -0.524 175.672 176.094 0.170 0.000 1.084 497 V CA -0.706 61.658 62.300 0.106 0.000 0.894 497 V CB -0.322 31.534 31.823 0.054 0.000 1.119 497 V HN 0.911 nan 8.190 nan 0.000 0.484 498 W N 6.292 127.577 121.300 -0.026 0.000 2.510 498 W HA 0.365 5.026 4.660 0.001 0.000 0.388 498 W C 0.035 176.540 176.519 -0.024 0.000 1.092 498 W CA -0.702 56.628 57.345 -0.026 0.000 1.562 498 W CB -0.144 29.291 29.460 -0.041 0.000 1.603 498 W HN 0.469 nan 8.180 nan 0.000 0.396 499 N N 2.509 121.278 118.700 0.114 0.000 2.483 499 N HA 0.582 5.322 4.740 0.000 0.000 0.285 499 N C 0.302 175.805 175.510 -0.012 0.000 1.210 499 N CA -0.236 52.798 53.050 -0.027 0.000 0.931 499 N CB 1.325 39.819 38.487 0.010 0.000 1.220 499 N HN 0.413 nan 8.380 nan 0.000 0.542 500 G N 0.282 109.050 108.800 -0.053 0.000 2.664 500 G HA2 -0.005 3.955 3.960 0.000 0.000 0.242 500 G HA3 -0.005 3.955 3.960 0.000 0.000 0.242 500 G C 0.923 175.858 174.900 0.058 0.000 1.225 500 G CA -0.109 44.985 45.100 -0.009 0.000 0.849 500 G HN 0.749 nan 8.290 nan 0.000 0.581 501 K N 0.108 120.559 120.400 0.084 0.000 2.063 501 K HA -0.148 4.172 4.320 0.000 0.000 0.208 501 K C 1.860 178.500 176.600 0.067 0.000 1.048 501 K CA 1.974 58.318 56.287 0.095 0.000 0.928 501 K CB -0.186 32.380 32.500 0.110 0.000 0.713 501 K HN 0.610 nan 8.250 nan 0.000 0.442 502 N N 0.409 119.139 118.700 0.049 0.000 2.398 502 N HA -0.008 4.733 4.740 0.000 0.000 0.188 502 N C -0.513 175.013 175.510 0.027 0.000 1.122 502 N CA -0.094 52.978 53.050 0.037 0.000 0.866 502 N CB 0.339 38.844 38.487 0.030 0.000 0.970 502 N HN 0.213 nan 8.380 nan 0.000 0.462 503 D N -0.380 120.036 120.400 0.027 0.000 2.549 503 D HA 0.267 4.907 4.640 0.000 0.000 0.270 503 D C -0.274 176.042 176.300 0.026 0.000 1.181 503 D CA -0.172 53.839 54.000 0.018 0.000 1.070 503 D CB 1.177 41.980 40.800 0.005 0.000 1.154 503 D HN -0.183 nan 8.370 nan 0.000 0.602 504 S N -0.216 115.496 115.700 0.020 0.000 2.489 504 S HA 0.524 4.994 4.470 0.000 0.000 0.291 504 S C -0.217 174.401 174.600 0.029 0.000 1.151 504 S CA -0.584 57.630 58.200 0.024 0.000 1.082 504 S CB 1.295 64.504 63.200 0.015 0.000 1.019 504 S HN 0.262 nan 8.310 nan 0.000 0.492 505 S N 1.229 116.954 115.700 0.041 0.000 2.677 505 S HA 0.974 5.444 4.470 0.000 0.000 0.304 505 S C -0.496 174.126 174.600 0.036 0.000 1.108 505 S CA -0.689 57.543 58.200 0.053 0.000 0.944 505 S CB 1.787 65.039 63.200 0.088 0.000 1.127 505 S HN 0.978 nan 8.310 nan 0.000 0.511 506 A N 0.774 123.617 122.820 0.037 0.000 2.610 506 A HA 0.746 5.066 4.320 0.000 0.000 0.291 506 A C -2.133 175.457 177.584 0.010 0.000 1.086 506 A CA -0.688 51.356 52.037 0.012 0.000 0.677 506 A CB 0.810 19.808 19.000 -0.003 0.000 1.278 506 A HN 0.641 nan 8.150 nan 0.000 0.414 507 L N 1.110 122.311 121.223 -0.036 0.000 2.313 507 L HA 0.603 4.943 4.340 0.000 0.000 0.283 507 L C -0.897 175.883 176.870 -0.151 0.000 1.013 507 L CA -0.993 53.809 54.840 -0.063 0.000 0.816 507 L CB 1.725 43.735 42.059 -0.082 0.000 1.236 507 L HN 0.437 nan 8.230 nan 0.000 0.419 508 V N 4.265 124.136 119.914 -0.072 0.000 2.398 508 V HA 0.383 4.503 4.120 0.000 0.000 0.286 508 V C 0.031 176.048 176.094 -0.128 0.000 1.026 508 V CA -0.609 61.653 62.300 -0.064 0.000 0.868 508 V CB 2.136 34.011 31.823 0.086 0.000 0.982 508 V HN 0.421 nan 8.190 nan 0.000 0.443 509 V N 5.899 125.608 119.914 -0.341 0.000 2.398 509 V HA 0.510 4.630 4.120 0.000 0.000 0.286 509 V C -0.104 175.886 176.094 -0.174 0.000 1.026 509 V CA -0.567 61.446 62.300 -0.478 0.000 0.868 509 V CB 1.717 33.038 31.823 -0.837 0.000 0.982 509 V HN 0.580 nan 8.190 nan 0.000 0.443 510 V N 3.156 123.059 119.914 -0.019 0.000 2.513 510 V HA 0.369 4.489 4.120 0.000 0.000 0.299 510 V C -0.122 175.986 176.094 0.022 0.000 1.035 510 V CA -0.640 61.698 62.300 0.063 0.000 0.889 510 V CB 2.074 34.077 31.823 0.300 0.000 0.988 510 V HN 0.902 nan 8.190 nan 0.000 0.440 511 D N 2.934 123.342 120.400 0.012 0.000 2.344 511 D HA 0.017 4.657 4.640 0.000 0.000 0.253 511 D C 0.861 177.224 176.300 0.106 0.000 1.255 511 D CA 0.132 54.156 54.000 0.040 0.000 0.894 511 D CB 1.286 42.091 40.800 0.007 0.000 1.067 511 D HN 0.733 nan 8.370 nan 0.000 0.492 512 D N 3.602 124.094 120.400 0.153 0.000 2.149 512 D HA -0.205 4.436 4.640 0.000 0.000 0.198 512 D C 1.725 178.218 176.300 0.321 0.000 0.990 512 D CA 1.290 55.459 54.000 0.281 0.000 0.839 512 D CB 0.234 41.255 40.800 0.369 0.000 0.948 512 D HN 0.388 nan 8.370 nan 0.000 0.460 513 K N -1.130 119.409 120.400 0.231 0.000 2.097 513 K HA -0.087 4.233 4.320 0.000 0.000 0.205 513 K C 1.631 178.342 176.600 0.186 0.000 1.050 513 K CA 1.663 58.077 56.287 0.213 0.000 0.938 513 K CB -0.012 32.569 32.500 0.135 0.000 0.718 513 K HN 0.326 nan 8.250 nan 0.000 0.442 514 T N -2.420 112.208 114.554 0.124 0.000 3.001 514 T HA 0.198 4.548 4.350 0.000 0.000 0.251 514 T C 0.895 175.634 174.700 0.065 0.000 1.040 514 T CA -0.048 62.102 62.100 0.083 0.000 0.985 514 T CB 0.010 68.903 68.868 0.042 0.000 1.011 514 T HN 0.286 nan 8.240 nan 0.000 0.509 515 L N -0.322 120.940 121.223 0.065 0.000 4.232 515 L HA -0.183 4.157 4.340 0.000 0.000 0.415 515 L C 0.035 176.986 176.870 0.135 0.000 1.168 515 L CA 0.587 55.474 54.840 0.078 0.000 0.966 515 L CB -1.737 40.323 42.059 0.003 0.000 2.052 515 L HN 0.365 nan 8.230 nan 0.000 0.887 516 K N 0.377 120.795 120.400 0.030 0.000 2.123 516 K HA 0.567 4.887 4.320 0.000 0.000 0.248 516 K C -0.150 176.259 176.600 -0.319 0.000 0.969 516 K CA -1.118 55.093 56.287 -0.127 0.000 0.882 516 K CB 1.996 34.423 32.500 -0.121 0.000 1.080 516 K HN -0.006 nan 8.250 nan 0.000 0.441 517 L N 2.865 123.630 121.223 -0.764 0.000 2.500 517 L HA 0.026 4.366 4.340 0.000 0.000 0.272 517 L C 0.957 177.573 176.870 -0.423 0.000 1.149 517 L CA 0.953 55.304 54.840 -0.814 0.000 0.897 517 L CB 0.277 41.548 42.059 -1.313 0.000 1.178 517 L HN 0.647 nan 8.230 nan 0.000 0.473 518 K N 4.024 124.250 120.400 -0.289 0.000 2.190 518 K HA 0.458 4.778 4.320 0.000 0.000 0.202 518 K C 0.065 176.534 176.600 -0.219 0.000 1.045 518 K CA 0.670 56.831 56.287 -0.211 0.000 0.976 518 K CB 0.349 32.758 32.500 -0.153 0.000 0.849 518 K HN 0.768 nan 8.250 nan 0.000 0.468 519 A N 0.050 122.715 122.820 -0.258 0.000 2.610 519 A HA 0.566 4.886 4.320 0.000 0.000 0.291 519 A C -1.727 175.695 177.584 -0.269 0.000 1.086 519 A CA -0.712 51.173 52.037 -0.254 0.000 0.677 519 A CB 2.025 20.863 19.000 -0.269 0.000 1.278 519 A HN -0.068 nan 8.150 nan 0.000 0.414 520 V N 0.994 120.777 119.914 -0.217 0.000 2.525 520 V HA 0.464 4.585 4.120 0.000 0.000 0.299 520 V C -0.647 175.347 176.094 -0.167 0.000 1.034 520 V CA -0.584 61.610 62.300 -0.178 0.000 0.863 520 V CB 1.612 33.370 31.823 -0.108 0.000 0.999 520 V HN 0.738 nan 8.190 nan 0.000 0.423 521 V N 5.528 125.331 119.914 -0.185 0.000 2.364 521 V HA 0.473 4.593 4.120 0.000 0.000 0.272 521 V C 0.085 176.139 176.094 -0.067 0.000 1.036 521 V CA -0.530 61.690 62.300 -0.133 0.000 0.880 521 V CB 1.014 32.744 31.823 -0.155 0.000 0.991 521 V HN 0.816 nan 8.190 nan 0.000 0.460 522 K N 3.648 124.023 120.400 -0.043 0.000 2.371 522 K HA 0.680 5.000 4.320 0.000 0.000 0.251 522 K C -1.278 175.319 176.600 -0.006 0.000 0.934 522 K CA -0.813 55.463 56.287 -0.018 0.000 0.798 522 K CB 2.525 35.014 32.500 -0.019 0.000 1.204 522 K HN 0.688 nan 8.250 nan 0.000 0.427 523 D N 2.065 122.470 120.400 0.007 0.000 2.745 523 D HA 0.090 4.730 4.640 0.000 0.000 0.221 523 D C -2.159 174.154 176.300 0.021 0.000 1.237 523 D CA -1.266 52.742 54.000 0.015 0.000 0.781 523 D CB 2.160 42.973 40.800 0.021 0.000 1.575 523 D HN 0.213 nan 8.370 nan 0.000 0.482 524 P HA -0.021 nan 4.420 nan 0.000 0.225 524 P C 0.842 178.161 177.300 0.032 0.000 1.148 524 P CA 0.542 63.657 63.100 0.025 0.000 0.779 524 P CB 0.496 32.209 31.700 0.022 0.000 0.780 525 R N -0.868 119.652 120.500 0.033 0.000 2.276 525 R HA 0.136 4.476 4.340 0.000 0.000 0.196 525 R C 0.995 177.320 176.300 0.041 0.000 0.961 525 R CA -0.192 55.930 56.100 0.038 0.000 1.024 525 R CB -0.398 29.924 30.300 0.037 0.000 0.940 525 R HN 0.102 nan 8.270 nan 0.000 0.480 526 L N 2.377 123.624 121.223 0.040 0.000 2.376 526 L HA 0.188 4.528 4.340 0.000 0.000 0.250 526 L C -0.570 176.331 176.870 0.053 0.000 1.335 526 L CA 0.409 55.275 54.840 0.043 0.000 1.214 526 L CB -0.148 41.934 42.059 0.037 0.000 1.395 526 L HN 0.030 nan 8.230 nan 0.000 0.424 527 I N 2.936 123.540 120.570 0.057 0.000 2.342 527 I HA 0.157 4.327 4.170 0.000 0.000 0.291 527 I C 0.729 176.898 176.117 0.086 0.000 1.010 527 I CA -0.486 60.858 61.300 0.074 0.000 1.308 527 I CB 0.928 38.971 38.000 0.072 0.000 1.400 527 I HN 0.633 nan 8.210 nan 0.000 0.488 528 T N 3.954 118.594 114.554 0.144 0.000 3.433 528 T HA -0.097 4.253 4.350 0.000 0.000 0.412 528 T C -2.245 172.489 174.700 0.057 0.000 0.768 528 T CA -0.769 61.470 62.100 0.231 0.000 2.077 528 T CB -1.890 67.148 68.868 0.284 0.000 1.700 528 T HN 0.439 nan 8.240 nan 0.000 0.666 529 P HA 0.247 nan 4.420 nan 0.000 0.276 529 P C 0.958 178.133 177.300 -0.208 0.000 1.243 529 P CA -0.089 62.979 63.100 -0.053 0.000 0.768 529 P CB 1.546 33.257 31.700 0.018 0.000 0.856 530 T N 1.146 115.506 114.554 -0.324 0.000 2.709 530 T HA 0.363 4.713 4.350 0.000 0.000 0.174 530 T C 1.032 175.558 174.700 -0.290 0.000 0.774 530 T CA 0.045 61.863 62.100 -0.470 0.000 1.309 530 T CB -0.870 67.580 68.868 -0.697 0.000 2.586 530 T HN 0.325 nan 8.240 nan 0.000 0.401 531 G N 1.819 110.468 108.800 -0.252 0.000 2.406 531 G HA2 0.509 4.469 3.960 0.000 0.000 0.251 531 G HA3 0.509 4.469 3.960 0.000 0.000 0.251 531 G C -1.002 173.754 174.900 -0.240 0.000 1.271 531 G CA -0.527 44.411 45.100 -0.270 0.000 0.859 531 G HN 0.589 nan 8.290 nan 0.000 0.540 532 K N 1.070 121.163 120.400 -0.511 0.000 2.426 532 K HA 0.432 4.752 4.320 0.000 0.000 0.254 532 K C -1.523 174.720 176.600 -0.594 0.000 0.936 532 K CA -0.417 55.713 56.287 -0.262 0.000 0.801 532 K CB 2.171 34.623 32.500 -0.080 0.000 1.139 532 K HN 0.380 nan 8.250 nan 0.000 0.424 533 F N 1.795 121.753 119.950 0.014 0.000 2.496 533 F HA 0.238 4.766 4.527 0.001 0.000 0.341 533 F C 0.396 176.043 175.800 -0.256 0.000 1.134 533 F CA -0.966 56.983 58.000 -0.085 0.000 0.968 533 F CB 1.292 40.250 39.000 -0.070 0.000 1.205 533 F HN 0.451 nan 8.300 nan 0.000 0.436 534 N N 2.773 121.237 118.700 -0.393 0.000 2.452 534 N HA 0.049 4.789 4.740 0.000 0.000 0.266 534 N C 1.092 176.431 175.510 -0.284 0.000 1.175 534 N CA 0.052 52.604 53.050 -0.830 0.000 0.945 534 N CB 1.387 39.320 38.487 -0.923 0.000 1.063 534 N HN 0.484 nan 8.380 nan 0.000 0.472 535 V N 4.942 124.721 119.914 -0.225 0.000 2.250 535 V HA -0.304 3.817 4.120 0.000 0.000 0.250 535 V C 1.779 177.889 176.094 0.025 0.000 1.060 535 V CA 1.874 64.142 62.300 -0.054 0.000 1.030 535 V CB -1.057 30.755 31.823 -0.020 0.000 0.643 535 V HN 0.743 nan 8.190 nan 0.000 0.445 536 Y N 1.691 121.977 120.300 -0.023 0.000 2.114 536 Y HA -0.234 4.316 4.550 0.000 0.000 0.284 536 Y C 2.534 178.530 175.900 0.159 0.000 1.143 536 Y CA 2.197 60.367 58.100 0.116 0.000 1.135 536 Y CB -0.376 38.131 38.460 0.079 0.000 0.980 536 Y HN 0.314 nan 8.280 nan 0.000 0.499 537 N N -0.859 117.963 118.700 0.203 0.000 2.364 537 N HA -0.135 4.605 4.740 0.000 0.000 0.183 537 N C 1.611 177.210 175.510 0.148 0.000 1.022 537 N CA 1.752 54.911 53.050 0.182 0.000 0.883 537 N CB -0.560 38.047 38.487 0.199 0.000 0.965 537 N HN 0.402 nan 8.380 nan 0.000 0.438 538 T N 0.171 114.786 114.554 0.102 0.000 2.852 538 T HA -0.057 4.293 4.350 0.000 0.000 0.256 538 T C 1.801 176.521 174.700 0.032 0.000 1.038 538 T CA 0.544 62.722 62.100 0.130 0.000 1.141 538 T CB -0.007 68.936 68.868 0.125 0.000 0.869 538 T HN 0.254 nan 8.240 nan 0.000 0.439 539 Q N 0.326 120.071 119.800 -0.090 0.000 2.084 539 Q HA -0.156 4.185 4.340 0.000 0.000 0.202 539 Q C 1.245 177.001 176.000 -0.406 0.000 0.978 539 Q CA 1.322 56.962 55.803 -0.270 0.000 0.844 539 Q CB 0.007 28.501 28.738 -0.407 0.000 0.898 539 Q HN 0.615 nan 8.270 nan 0.000 0.426 540 H N -0.040 118.930 119.070 -0.166 0.000 2.520 540 H HA 0.116 4.673 4.556 0.000 0.000 0.284 540 H C -0.587 174.729 175.328 -0.020 0.000 1.037 540 H CA 0.327 56.288 56.048 -0.145 0.000 1.168 540 H CB 0.347 29.867 29.762 -0.403 0.000 1.497 540 H HN 0.364 nan 8.280 nan 0.000 0.547 541 D N 0.673 121.111 120.400 0.063 0.000 2.697 541 D HA -0.150 4.490 4.640 0.000 0.000 0.235 541 D C -0.468 175.672 176.300 -0.267 0.000 1.167 541 D CA 0.256 54.223 54.000 -0.054 0.000 0.656 541 D CB -1.094 39.597 40.800 -0.181 0.000 1.025 541 D HN 0.114 nan 8.370 nan 0.000 0.419 542 V N 1.558 121.447 119.914 -0.041 0.000 2.313 542 V HA 0.380 4.500 4.120 0.000 0.000 0.252 542 V C 0.082 176.205 176.094 0.050 0.000 1.112 542 V CA -0.016 62.254 62.300 -0.049 0.000 0.984 542 V CB -0.978 30.861 31.823 0.025 0.000 1.157 542 V HN 0.338 nan 8.190 nan 0.000 0.493 543 Y N 0.000 120.397 120.300 0.161 0.000 2.660 543 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 543 Y CA 0.000 58.207 58.100 0.179 0.000 1.940 543 Y CB 0.000 38.599 38.460 0.231 0.000 1.050 543 Y HN 0.000 nan 8.280 nan 0.000 0.758