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 3d68_1_A DATA FIRST_RESID 1 DATA SEQUENCE AQSGQVLAAL PRTSRQVQVL QNLTTTYEIV LWQPVTADLI VKKKQVHFFV DATA SEQUENCE NASDVDNVKA HLNVSGIPCS VLLADVEDLI QQQISNDTVS PRASASYYEQ DATA SEQUENCE YHSLNEIYSW IEFITERHPD MLTKIHIGSS FEKYPLYVLK VSGKEQTAKN DATA SEQUENCE AIWIDcGIHA REWISPAFcL WFIGHITQFY GIIGQYTNLL RLVDFYVMPV DATA SEQUENCE VNVDGYDYSW KKNRMWRKNR SFYANNHcIG TDLNRNFASK HWcEEGASSS DATA SEQUENCE ScSETYcGLY PESEPEVKAV ASFLRRNINQ IKAYISMHSY SQHIVFPYSY DATA SEQUENCE TRSKSKDHEE LSLVASEAVR AIEKISKNIR YTYGQGSETL YLAPGGGDDW DATA SEQUENCE IYDLGIKYSF TIELRDTGTY GFLLPERYIK PTCREAFAAV SKIAWHVIRN DATA SEQUENCE V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.557 177.584 -0.046 0.000 1.274 1 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 1 A CB 0.000 19.113 19.000 0.188 0.000 0.831 2 Q N -0.982 118.848 119.800 0.049 0.000 2.631 2 Q HA 0.315 4.655 4.340 0.000 0.000 0.220 2 Q C 0.451 176.493 176.000 0.070 0.000 0.819 2 Q CA 0.856 56.673 55.803 0.024 0.000 0.914 2 Q CB 0.985 29.736 28.738 0.022 0.000 1.248 2 Q HN 0.851 nan 8.270 nan 0.000 0.629 3 S N -1.160 114.623 115.700 0.138 0.000 2.599 3 S HA 0.867 5.337 4.470 0.000 0.000 0.287 3 S C -0.217 174.503 174.600 0.199 0.000 1.105 3 S CA -0.059 58.227 58.200 0.144 0.000 0.899 3 S CB 2.505 65.744 63.200 0.066 0.000 1.100 3 S HN 0.452 nan 8.310 nan 0.000 0.482 4 G N 0.956 109.841 108.800 0.142 0.000 2.359 4 G HA2 0.339 4.299 3.960 0.000 0.000 0.293 4 G HA3 0.339 4.299 3.960 0.000 0.000 0.293 4 G C -2.158 172.729 174.900 -0.022 0.000 1.300 4 G CA -0.865 44.223 45.100 -0.019 0.000 0.888 4 G HN 0.824 nan 8.290 nan 0.000 0.541 5 Q N -1.415 118.261 119.800 -0.207 0.000 2.297 5 Q HA 0.723 5.063 4.340 0.000 0.000 0.269 5 Q C -0.815 175.011 176.000 -0.290 0.000 1.051 5 Q CA -1.045 54.639 55.803 -0.198 0.000 0.869 5 Q CB 2.932 31.531 28.738 -0.231 0.000 1.346 5 Q HN 0.419 nan 8.270 nan 0.000 0.457 6 V N 2.231 121.942 119.914 -0.339 0.000 2.417 6 V HA 0.452 4.572 4.120 0.000 0.000 0.291 6 V C -0.532 175.212 176.094 -0.584 0.000 1.024 6 V CA -0.580 61.382 62.300 -0.563 0.000 0.861 6 V CB 1.207 32.585 31.823 -0.741 0.000 0.985 6 V HN 0.508 nan 8.190 nan 0.000 0.436 7 L N 3.845 124.578 121.223 -0.815 0.000 2.346 7 L HA 0.872 5.212 4.340 0.000 0.000 0.274 7 L C 0.072 176.562 176.870 -0.633 0.000 1.007 7 L CA -0.706 53.690 54.840 -0.740 0.000 0.818 7 L CB 2.052 43.569 42.059 -0.904 0.000 1.284 7 L HN 0.699 nan 8.230 nan 0.000 0.424 8 A N 2.094 124.729 122.820 -0.308 0.000 2.317 8 A HA 0.907 5.227 4.320 0.000 0.000 0.327 8 A C -0.569 177.044 177.584 0.048 0.000 1.178 8 A CA -0.398 51.620 52.037 -0.032 0.000 0.817 8 A CB 1.535 20.503 19.000 -0.054 0.000 1.189 8 A HN 0.807 nan 8.150 nan 0.000 0.489 9 A N 1.827 124.756 122.820 0.182 0.000 2.422 9 A HA 0.684 5.004 4.320 0.000 0.000 0.302 9 A C -1.250 176.404 177.584 0.117 0.000 1.041 9 A CA -0.305 51.830 52.037 0.163 0.000 0.708 9 A CB 1.111 20.282 19.000 0.285 0.000 1.257 9 A HN 1.002 nan 8.150 nan 0.000 0.414 10 L N 4.414 125.680 121.223 0.071 0.000 2.337 10 L HA 0.420 4.760 4.340 0.000 0.000 0.269 10 L C -2.287 174.602 176.870 0.031 0.000 1.018 10 L CA -2.238 52.630 54.840 0.047 0.000 0.876 10 L CB 2.140 44.220 42.059 0.035 0.000 1.236 10 L HN 0.486 nan 8.230 nan 0.000 0.436 11 P HA 0.223 nan 4.420 nan 0.000 0.276 11 P C -0.538 176.765 177.300 0.004 0.000 1.230 11 P CA -0.217 62.889 63.100 0.010 0.000 0.776 11 P CB 1.526 33.225 31.700 -0.002 0.000 0.888 12 R N 0.514 121.016 120.500 0.002 0.000 2.243 12 R HA 0.150 4.490 4.340 0.000 0.000 0.193 12 R C 0.626 176.924 176.300 -0.004 0.000 0.933 12 R CA 0.490 56.590 56.100 -0.000 0.000 1.105 12 R CB -0.245 30.055 30.300 0.001 0.000 1.169 12 R HN 0.466 nan 8.270 nan 0.000 0.599 13 T N 0.212 114.764 114.554 -0.005 0.000 2.874 13 T HA 0.078 4.428 4.350 0.000 0.000 0.281 13 T C 1.288 175.981 174.700 -0.010 0.000 0.994 13 T CA -0.339 61.757 62.100 -0.007 0.000 1.015 13 T CB 1.674 70.538 68.868 -0.007 0.000 1.028 13 T HN 0.129 nan 8.240 nan 0.000 0.523 14 S N 0.391 116.084 115.700 -0.012 0.000 2.447 14 S HA -0.112 4.358 4.470 0.000 0.000 0.233 14 S C 1.845 176.435 174.600 -0.016 0.000 1.006 14 S CA 0.350 58.541 58.200 -0.016 0.000 0.957 14 S CB -0.349 62.841 63.200 -0.017 0.000 0.773 14 S HN 0.604 nan 8.310 nan 0.000 0.507 15 R N 1.023 121.516 120.500 -0.012 0.000 2.115 15 R HA 0.065 4.405 4.340 0.000 0.000 0.226 15 R C 2.727 179.023 176.300 -0.008 0.000 1.100 15 R CA 1.318 57.412 56.100 -0.010 0.000 0.980 15 R CB -0.226 30.070 30.300 -0.007 0.000 0.875 15 R HN 0.568 nan 8.270 nan 0.000 0.445 16 Q N -0.088 119.708 119.800 -0.007 0.000 2.046 16 Q HA -0.121 4.219 4.340 0.000 0.000 0.200 16 Q C 2.192 178.185 176.000 -0.012 0.000 0.975 16 Q CA 1.448 57.249 55.803 -0.003 0.000 0.836 16 Q CB -0.041 28.698 28.738 0.001 0.000 0.896 16 Q HN 0.137 nan 8.270 nan 0.000 0.428 17 V N 1.390 121.292 119.914 -0.019 0.000 2.250 17 V HA -0.368 3.752 4.120 0.000 0.000 0.250 17 V C 2.207 178.277 176.094 -0.040 0.000 1.060 17 V CA 2.231 64.512 62.300 -0.032 0.000 1.030 17 V CB -0.607 31.196 31.823 -0.033 0.000 0.643 17 V HN 0.427 nan 8.190 nan 0.000 0.445 18 Q N -1.052 118.729 119.800 -0.032 0.000 2.124 18 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 18 Q C 2.289 178.270 176.000 -0.032 0.000 0.977 18 Q CA 1.643 57.426 55.803 -0.035 0.000 0.850 18 Q CB -0.231 28.491 28.738 -0.026 0.000 0.901 18 Q HN 0.581 nan 8.270 nan 0.000 0.429 19 V N 1.112 121.017 119.914 -0.016 0.000 2.233 19 V HA -0.301 3.820 4.120 0.000 0.000 0.247 19 V C 2.222 178.302 176.094 -0.023 0.000 1.050 19 V CA 1.704 64.006 62.300 0.004 0.000 1.010 19 V CB -0.586 31.255 31.823 0.029 0.000 0.637 19 V HN 0.374 nan 8.190 nan 0.000 0.444 20 L N -0.562 120.633 121.223 -0.048 0.000 2.013 20 L HA -0.320 4.020 4.340 0.000 0.000 0.212 20 L C 2.740 179.524 176.870 -0.144 0.000 1.073 20 L CA 2.000 56.770 54.840 -0.116 0.000 0.753 20 L CB -0.753 41.230 42.059 -0.126 0.000 0.890 20 L HN 0.409 nan 8.230 nan 0.000 0.432 21 Q N -0.246 119.489 119.800 -0.109 0.000 2.112 21 Q HA -0.237 4.103 4.340 0.000 0.000 0.206 21 Q C 1.955 177.894 176.000 -0.102 0.000 0.987 21 Q CA 1.942 57.681 55.803 -0.107 0.000 0.858 21 Q CB -0.236 28.452 28.738 -0.083 0.000 0.905 21 Q HN 0.513 nan 8.270 nan 0.000 0.420 22 N N 0.203 118.852 118.700 -0.086 0.000 2.244 22 N HA -0.069 4.672 4.740 0.000 0.000 0.183 22 N C 1.583 177.019 175.510 -0.123 0.000 1.016 22 N CA 0.737 53.730 53.050 -0.094 0.000 0.866 22 N CB -0.081 38.365 38.487 -0.068 0.000 0.980 22 N HN 0.157 nan 8.380 nan 0.000 0.430 23 L N 0.242 121.405 121.223 -0.101 0.000 2.046 23 L HA -0.186 4.154 4.340 0.000 0.000 0.208 23 L C 2.470 179.294 176.870 -0.077 0.000 1.077 23 L CA 1.652 56.456 54.840 -0.060 0.000 0.747 23 L CB -1.146 40.889 42.059 -0.040 0.000 0.896 23 L HN 0.420 nan 8.230 nan 0.000 0.432 24 T N -4.468 110.004 114.554 -0.137 0.000 2.746 24 T HA -0.206 4.144 4.350 0.000 0.000 0.267 24 T C 1.840 176.490 174.700 -0.084 0.000 1.039 24 T CA 1.841 63.872 62.100 -0.115 0.000 1.142 24 T CB -0.689 68.096 68.868 -0.138 0.000 0.866 24 T HN 0.142 nan 8.240 nan 0.000 0.444 25 T N 1.420 115.911 114.554 -0.105 0.000 2.803 25 T HA -0.082 4.268 4.350 0.000 0.000 0.269 25 T C 1.988 176.598 174.700 -0.150 0.000 1.052 25 T CA 1.935 63.970 62.100 -0.108 0.000 1.136 25 T CB -0.685 68.116 68.868 -0.111 0.000 0.864 25 T HN 0.600 nan 8.240 nan 0.000 0.467 26 T N -0.249 114.163 114.554 -0.237 0.000 2.925 26 T HA 0.201 4.551 4.350 0.000 0.000 0.245 26 T C 0.289 174.728 174.700 -0.435 0.000 1.025 26 T CA 0.578 62.408 62.100 -0.450 0.000 1.149 26 T CB -0.011 68.376 68.868 -0.803 0.000 0.866 26 T HN 0.257 nan 8.240 nan 0.000 0.437 27 Y N 1.044 121.289 120.300 -0.091 0.000 2.618 27 Y HA 0.441 4.991 4.550 0.000 0.000 0.326 27 Y C 0.566 176.442 175.900 -0.040 0.000 1.168 27 Y CA -1.472 56.585 58.100 -0.071 0.000 1.269 27 Y CB 0.573 38.977 38.460 -0.093 0.000 1.388 27 Y HN -0.109 nan 8.280 nan 0.000 0.528 28 E N 2.063 122.361 120.200 0.162 0.000 1.814 28 E HA 0.226 4.576 4.350 0.000 0.000 0.264 28 E C -0.876 175.771 176.600 0.079 0.000 1.179 28 E CA 0.253 56.717 56.400 0.106 0.000 0.972 28 E CB -0.282 29.471 29.700 0.089 0.000 1.077 28 E HN 0.427 nan 8.360 nan 0.000 0.417 29 I N 1.191 121.828 120.570 0.110 0.000 2.603 29 I HA 0.315 4.485 4.170 0.000 0.000 0.300 29 I C -0.296 175.954 176.117 0.222 0.000 1.017 29 I CA -1.175 60.206 61.300 0.134 0.000 1.098 29 I CB 2.256 40.298 38.000 0.070 0.000 1.279 29 I HN -0.021 nan 8.210 nan 0.000 0.437 30 V N 6.276 126.402 119.914 0.352 0.000 2.409 30 V HA 0.316 4.436 4.120 0.000 0.000 0.290 30 V C -0.002 176.342 176.094 0.416 0.000 1.017 30 V CA -0.571 61.958 62.300 0.380 0.000 0.841 30 V CB 1.679 33.793 31.823 0.486 0.000 1.003 30 V HN 0.483 nan 8.190 nan 0.000 0.426 31 L N 4.065 125.468 121.223 0.300 0.000 2.455 31 L HA 0.071 4.411 4.340 0.000 0.000 0.272 31 L C 0.498 177.683 176.870 0.525 0.000 1.174 31 L CA 0.447 55.478 54.840 0.318 0.000 0.869 31 L CB 0.730 42.873 42.059 0.139 0.000 1.130 31 L HN 0.740 nan 8.230 nan 0.000 0.474 32 W N 1.072 122.550 121.300 0.296 0.000 2.644 32 W HA 0.134 4.794 4.660 0.001 0.000 0.279 32 W C 0.677 177.282 176.519 0.144 0.000 1.164 32 W CA 0.014 57.551 57.345 0.321 0.000 1.457 32 W CB 0.243 29.905 29.460 0.336 0.000 1.087 32 W HN 0.409 nan 8.180 nan 0.000 0.573 33 Q N 1.128 121.150 119.800 0.371 0.000 2.263 33 Q HA 0.224 4.564 4.340 0.000 0.000 0.262 33 Q C -2.785 173.226 176.000 0.020 0.000 0.984 33 Q CA -1.816 54.040 55.803 0.089 0.000 0.813 33 Q CB 3.034 31.754 28.738 -0.030 0.000 1.299 33 Q HN -0.247 nan 8.270 nan 0.000 0.428 34 P HA -0.011 nan 4.420 nan 0.000 0.275 34 P C 0.591 177.868 177.300 -0.038 0.000 1.266 34 P CA -0.388 62.668 63.100 -0.073 0.000 0.793 34 P CB 1.105 32.704 31.700 -0.168 0.000 1.074 35 V N -0.212 119.654 119.914 -0.079 0.000 2.295 35 V HA -0.077 4.044 4.120 0.000 0.000 0.246 35 V C 1.194 177.263 176.094 -0.042 0.000 1.049 35 V CA 2.797 65.079 62.300 -0.031 0.000 1.024 35 V CB -0.797 31.002 31.823 -0.040 0.000 0.648 35 V HN 0.919 nan 8.190 nan 0.000 0.447 36 T N -4.289 110.198 114.554 -0.111 0.000 2.916 36 T HA 0.725 5.075 4.350 0.000 0.000 0.292 36 T C 0.737 175.368 174.700 -0.115 0.000 1.064 36 T CA -0.110 61.933 62.100 -0.095 0.000 1.011 36 T CB 1.748 70.557 68.868 -0.098 0.000 1.152 36 T HN 0.271 nan 8.240 nan 0.000 0.510 37 A N 1.217 123.979 122.820 -0.097 0.000 1.855 37 A HA 0.011 4.331 4.320 0.000 0.000 0.215 37 A C 1.915 179.435 177.584 -0.107 0.000 1.191 37 A CA 2.253 54.228 52.037 -0.104 0.000 0.613 37 A CB -1.582 17.359 19.000 -0.098 0.000 0.829 37 A HN 1.167 nan 8.150 nan 0.000 0.442 38 D N -0.096 120.244 120.400 -0.101 0.000 5.512 38 D HA -0.271 4.369 4.640 0.000 0.000 0.218 38 D C 1.256 177.479 176.300 -0.129 0.000 1.637 38 D CA 2.504 56.440 54.000 -0.106 0.000 0.824 38 D CB -0.649 40.086 40.800 -0.108 0.000 0.855 38 D HN 0.421 nan 8.370 nan 0.000 0.741 39 L N -0.326 120.795 121.223 -0.170 0.000 2.591 39 L HA 0.202 4.543 4.340 0.000 0.000 0.228 39 L C 0.469 177.251 176.870 -0.147 0.000 1.133 39 L CA -0.301 54.416 54.840 -0.205 0.000 0.880 39 L CB -0.107 41.735 42.059 -0.362 0.000 1.033 39 L HN 0.129 nan 8.230 nan 0.000 0.450 40 I N 1.437 121.939 120.570 -0.114 0.000 2.471 40 I HA 0.002 4.172 4.170 0.000 0.000 0.294 40 I C 0.601 176.677 176.117 -0.067 0.000 1.123 40 I CA -0.137 61.111 61.300 -0.087 0.000 1.336 40 I CB 0.098 38.048 38.000 -0.082 0.000 1.430 40 I HN -0.075 nan 8.210 nan 0.000 0.533 41 V N 3.705 123.584 119.914 -0.058 0.000 3.513 41 V HA 0.400 4.521 4.120 0.000 0.000 0.297 41 V C 1.125 177.201 176.094 -0.031 0.000 1.058 41 V CA -0.445 61.829 62.300 -0.043 0.000 1.003 41 V CB 1.267 33.068 31.823 -0.037 0.000 1.236 41 V HN 0.682 nan 8.190 nan 0.000 0.436 42 K N 0.224 120.610 120.400 -0.023 0.000 1.997 42 K HA 0.087 4.407 4.320 0.000 0.000 0.219 42 K C 1.417 178.011 176.600 -0.010 0.000 1.023 42 K CA 1.392 57.670 56.287 -0.016 0.000 1.003 42 K CB -0.335 32.157 32.500 -0.014 0.000 0.842 42 K HN 0.708 nan 8.250 nan 0.000 0.445 43 K N 1.427 121.823 120.400 -0.007 0.000 3.277 43 K HA 0.023 4.343 4.320 0.000 0.000 0.291 43 K C -0.511 176.090 176.600 0.001 0.000 0.994 43 K CA 0.435 56.721 56.287 -0.001 0.000 1.147 43 K CB 0.032 32.532 32.500 -0.000 0.000 1.185 43 K HN 0.097 nan 8.250 nan 0.000 0.422 44 K N 0.731 121.130 120.400 -0.002 0.000 2.375 44 K HA 0.200 4.520 4.320 0.000 0.000 0.249 44 K C -0.660 175.939 176.600 -0.002 0.000 0.942 44 K CA -0.772 55.512 56.287 -0.004 0.000 0.806 44 K CB 2.214 34.704 32.500 -0.016 0.000 1.227 44 K HN 0.034 nan 8.250 nan 0.000 0.430 45 Q N 1.496 121.293 119.800 -0.004 0.000 2.327 45 Q HA 0.279 4.620 4.340 0.000 0.000 0.254 45 Q C -1.164 174.797 176.000 -0.066 0.000 0.952 45 Q CA -0.329 55.480 55.803 0.010 0.000 0.884 45 Q CB 1.141 29.911 28.738 0.054 0.000 1.224 45 Q HN 0.240 nan 8.270 nan 0.000 0.422 46 V N 4.204 124.140 119.914 0.035 0.000 2.483 46 V HA 0.312 4.432 4.120 0.000 0.000 0.297 46 V C -1.084 175.199 176.094 0.316 0.000 1.027 46 V CA -0.706 61.637 62.300 0.072 0.000 0.855 46 V CB 1.458 33.344 31.823 0.105 0.000 0.995 46 V HN 0.825 nan 8.190 nan 0.000 0.424 47 H N 5.461 124.695 119.070 0.273 0.000 2.472 47 H HA 0.811 5.367 4.556 0.000 0.000 0.338 47 H C -0.786 174.749 175.328 0.344 0.000 1.133 47 H CA -0.681 55.505 56.048 0.230 0.000 1.216 47 H CB 1.889 31.814 29.762 0.270 0.000 1.497 47 H HN 0.660 nan 8.280 nan 0.000 0.500 48 F N 0.198 120.122 119.950 -0.043 0.000 2.744 48 F HA 0.338 4.865 4.527 0.000 0.000 0.311 48 F C -2.183 173.401 175.800 -0.359 0.000 1.144 48 F CA -1.614 56.282 58.000 -0.173 0.000 0.938 48 F CB 0.847 39.830 39.000 -0.029 0.000 1.292 48 F HN 0.374 nan 8.300 nan 0.000 0.444 49 F N 3.146 122.935 119.950 -0.268 0.000 2.405 49 F HA 0.761 5.288 4.527 0.000 0.000 0.355 49 F C -1.275 174.520 175.800 -0.009 0.000 1.121 49 F CA -1.099 56.721 58.000 -0.301 0.000 1.112 49 F CB 1.286 40.182 39.000 -0.174 0.000 1.126 49 F HN 0.440 nan 8.300 nan 0.000 0.481 50 V N 6.058 125.480 119.914 -0.821 0.000 2.398 50 V HA 0.237 4.357 4.120 0.000 0.000 0.286 50 V C -0.100 175.324 176.094 -1.117 0.000 1.026 50 V CA -1.025 60.868 62.300 -0.680 0.000 0.868 50 V CB 1.224 32.838 31.823 -0.348 0.000 0.982 50 V HN 0.812 nan 8.190 nan 0.000 0.443 51 N N 3.426 121.625 118.700 -0.834 0.000 2.518 51 N HA 0.324 5.064 4.740 0.000 0.000 0.266 51 N C 1.258 176.626 175.510 -0.237 0.000 1.196 51 N CA 0.556 53.328 53.050 -0.462 0.000 0.947 51 N CB 1.551 40.000 38.487 -0.064 0.000 1.098 51 N HN 0.780 nan 8.380 nan 0.000 0.450 52 A N 2.612 125.361 122.820 -0.119 0.000 1.881 52 A HA -0.306 4.014 4.320 0.000 0.000 0.219 52 A C 2.199 179.732 177.584 -0.085 0.000 1.215 52 A CA 2.767 54.751 52.037 -0.088 0.000 0.648 52 A CB -1.704 17.279 19.000 -0.027 0.000 0.832 52 A HN 0.908 nan 8.150 nan 0.000 0.455 53 S N -0.414 115.257 115.700 -0.048 0.000 2.421 53 S HA -0.255 4.216 4.470 0.000 0.000 0.239 53 S C 1.038 175.600 174.600 -0.064 0.000 1.054 53 S CA 1.880 60.059 58.200 -0.035 0.000 1.035 53 S CB -0.498 62.703 63.200 0.001 0.000 0.840 53 S HN 0.634 nan 8.310 nan 0.000 0.475 54 D N -0.142 120.193 120.400 -0.107 0.000 2.433 54 D HA 0.327 4.967 4.640 0.000 0.000 0.211 54 D C 1.595 177.740 176.300 -0.258 0.000 1.114 54 D CA 0.002 53.885 54.000 -0.194 0.000 0.837 54 D CB 0.541 41.245 40.800 -0.160 0.000 0.984 54 D HN 0.277 nan 8.370 nan 0.000 0.505 55 V N 1.217 121.010 119.914 -0.201 0.000 2.252 55 V HA -0.287 3.833 4.120 0.000 0.000 0.249 55 V C 1.859 177.849 176.094 -0.174 0.000 1.056 55 V CA 2.029 64.211 62.300 -0.196 0.000 1.022 55 V CB -0.266 31.453 31.823 -0.173 0.000 0.641 55 V HN 0.064 nan 8.190 nan 0.000 0.445 56 D N -0.361 119.952 120.400 -0.146 0.000 2.144 56 D HA -0.124 4.517 4.640 0.000 0.000 0.199 56 D C 2.105 178.326 176.300 -0.131 0.000 0.984 56 D CA 1.108 55.039 54.000 -0.115 0.000 0.834 56 D CB -0.230 40.519 40.800 -0.084 0.000 0.955 56 D HN 0.477 nan 8.370 nan 0.000 0.465 57 N N -0.100 118.477 118.700 -0.205 0.000 2.188 57 N HA -0.092 4.648 4.740 0.000 0.000 0.184 57 N C 1.821 177.152 175.510 -0.297 0.000 1.018 57 N CA 0.611 53.510 53.050 -0.253 0.000 0.858 57 N CB 0.122 38.363 38.487 -0.409 0.000 0.989 57 N HN 0.107 nan 8.380 nan 0.000 0.426 58 V N 2.152 121.830 119.914 -0.393 0.000 2.270 58 V HA -0.190 3.930 4.120 0.000 0.000 0.245 58 V C 2.222 178.283 176.094 -0.056 0.000 1.043 58 V CA 1.517 63.656 62.300 -0.269 0.000 1.014 58 V CB -0.441 31.261 31.823 -0.201 0.000 0.645 58 V HN 0.220 nan 8.190 nan 0.000 0.447 59 K N 0.377 120.736 120.400 -0.069 0.000 2.127 59 K HA -0.232 4.088 4.320 0.000 0.000 0.208 59 K C 2.247 178.840 176.600 -0.012 0.000 1.047 59 K CA 1.634 57.898 56.287 -0.037 0.000 0.927 59 K CB -0.467 31.993 32.500 -0.068 0.000 0.716 59 K HN 0.500 nan 8.250 nan 0.000 0.450 60 A N 1.052 123.863 122.820 -0.014 0.000 1.877 60 A HA -0.196 4.124 4.320 0.000 0.000 0.216 60 A C 1.896 179.492 177.584 0.019 0.000 1.186 60 A CA 1.330 53.364 52.037 -0.004 0.000 0.620 60 A CB -0.717 18.280 19.000 -0.005 0.000 0.822 60 A HN 0.322 nan 8.150 nan 0.000 0.443 61 H N -0.469 118.582 119.070 -0.033 0.000 2.387 61 H HA -0.051 4.506 4.556 0.000 0.000 0.299 61 H C 2.042 177.375 175.328 0.008 0.000 1.090 61 H CA 1.722 57.775 56.048 0.007 0.000 1.332 61 H CB -0.039 29.754 29.762 0.051 0.000 1.386 61 H HN 0.409 nan 8.280 nan 0.000 0.516 62 L N 0.380 121.672 121.223 0.116 0.000 2.027 62 L HA -0.180 4.161 4.340 0.000 0.000 0.206 62 L C 2.575 179.462 176.870 0.028 0.000 1.074 62 L CA 0.781 55.663 54.840 0.070 0.000 0.745 62 L CB -0.548 41.554 42.059 0.072 0.000 0.898 62 L HN 0.234 nan 8.230 nan 0.000 0.433 63 N N 0.640 119.346 118.700 0.010 0.000 2.069 63 N HA -0.207 4.533 4.740 0.000 0.000 0.196 63 N C 1.708 177.207 175.510 -0.018 0.000 1.024 63 N CA 1.857 54.901 53.050 -0.010 0.000 0.869 63 N CB -0.286 38.188 38.487 -0.021 0.000 1.035 63 N HN 0.092 nan 8.380 nan 0.000 0.434 64 V N 0.284 120.179 119.914 -0.032 0.000 2.548 64 V HA -0.075 4.045 4.120 0.000 0.000 0.249 64 V C 1.494 177.566 176.094 -0.037 0.000 1.055 64 V CA 1.810 64.078 62.300 -0.054 0.000 1.065 64 V CB -0.355 31.400 31.823 -0.113 0.000 0.681 64 V HN 0.551 nan 8.190 nan 0.000 0.462 65 S N -0.250 115.440 115.700 -0.016 0.000 2.573 65 S HA 0.356 4.826 4.470 0.000 0.000 0.244 65 S C 1.356 175.957 174.600 0.002 0.000 0.984 65 S CA 0.247 58.445 58.200 -0.004 0.000 1.001 65 S CB 0.254 63.462 63.200 0.013 0.000 0.788 65 S HN 0.897 nan 8.310 nan 0.000 0.456 66 G N 1.766 110.565 108.800 -0.002 0.000 2.379 66 G HA2 -0.279 3.682 3.960 0.000 0.000 0.297 66 G HA3 -0.279 3.682 3.960 0.000 0.000 0.297 66 G C -0.063 174.841 174.900 0.006 0.000 1.004 66 G CA 0.270 45.370 45.100 -0.001 0.000 0.921 66 G HN 0.684 nan 8.290 nan 0.000 0.511 67 I N 2.187 122.766 120.570 0.015 0.000 2.337 67 I HA 0.226 4.397 4.170 0.000 0.000 0.291 67 I C -1.307 174.823 176.117 0.022 0.000 1.046 67 I CA -2.128 59.186 61.300 0.024 0.000 1.324 67 I CB 0.987 39.011 38.000 0.039 0.000 1.409 67 I HN -0.018 nan 8.210 nan 0.000 0.494 68 P HA 0.046 nan 4.420 nan 0.000 0.268 68 P C -0.786 176.524 177.300 0.016 0.000 1.205 68 P CA -0.268 62.838 63.100 0.010 0.000 0.771 68 P CB 1.089 32.794 31.700 0.007 0.000 0.858 69 C N 1.718 121.018 119.300 -0.001 0.000 3.006 69 C HA 0.643 5.104 4.460 0.000 0.000 0.359 69 C C -1.060 173.901 174.990 -0.049 0.000 1.103 69 C CA -0.137 58.875 59.018 -0.011 0.000 1.286 69 C CB 1.062 28.801 27.740 -0.001 0.000 1.694 69 C HN 0.611 nan 8.230 nan 0.000 0.511 70 S N 2.758 118.410 115.700 -0.081 0.000 2.536 70 S HA 0.738 5.208 4.470 0.000 0.000 0.287 70 S C -0.953 173.543 174.600 -0.174 0.000 1.101 70 S CA -0.367 57.765 58.200 -0.114 0.000 0.950 70 S CB 1.719 64.854 63.200 -0.110 0.000 1.056 70 S HN 0.937 nan 8.310 nan 0.000 0.481 71 V N 6.204 126.017 119.914 -0.170 0.000 2.405 71 V HA 0.171 4.292 4.120 0.000 0.000 0.264 71 V C 0.780 176.737 176.094 -0.228 0.000 1.048 71 V CA -0.151 62.024 62.300 -0.209 0.000 0.966 71 V CB 0.844 32.563 31.823 -0.173 0.000 1.015 71 V HN 0.802 nan 8.190 nan 0.000 0.477 72 L N 5.810 126.857 121.223 -0.293 0.000 2.102 72 L HA 0.262 4.602 4.340 0.000 0.000 0.202 72 L C 0.526 177.209 176.870 -0.312 0.000 1.076 72 L CA 1.668 56.312 54.840 -0.327 0.000 0.761 72 L CB -0.206 41.609 42.059 -0.407 0.000 0.921 72 L HN 0.460 nan 8.230 nan 0.000 0.444 73 L N -2.046 119.010 121.223 -0.278 0.000 2.406 73 L HA 0.478 4.818 4.340 0.000 0.000 0.272 73 L C 0.593 177.370 176.870 -0.155 0.000 0.980 73 L CA -0.222 54.498 54.840 -0.199 0.000 0.831 73 L CB 1.664 43.637 42.059 -0.144 0.000 1.253 73 L HN -0.132 nan 8.230 nan 0.000 0.406 74 A N 1.127 123.879 122.820 -0.113 0.000 2.030 74 A HA 0.071 4.391 4.320 0.000 0.000 0.215 74 A C 0.412 177.959 177.584 -0.062 0.000 1.164 74 A CA 0.830 52.809 52.037 -0.097 0.000 0.697 74 A CB 0.033 18.984 19.000 -0.082 0.000 0.827 74 A HN 0.695 nan 8.150 nan 0.000 0.457 75 D N -0.867 119.513 120.400 -0.034 0.000 2.402 75 D HA 0.385 5.025 4.640 0.000 0.000 0.252 75 D C 0.524 176.831 176.300 0.011 0.000 1.294 75 D CA -0.256 53.739 54.000 -0.009 0.000 0.948 75 D CB 1.480 42.277 40.800 -0.006 0.000 1.202 75 D HN -0.132 nan 8.370 nan 0.000 0.561 76 V N 3.533 123.468 119.914 0.035 0.000 2.346 76 V HA -0.109 4.011 4.120 0.000 0.000 0.244 76 V C 2.347 178.455 176.094 0.023 0.000 1.037 76 V CA 1.831 64.163 62.300 0.052 0.000 1.029 76 V CB -0.292 31.617 31.823 0.143 0.000 0.663 76 V HN 0.664 nan 8.190 nan 0.000 0.454 77 E N 0.520 120.739 120.200 0.031 0.000 2.086 77 E HA -0.367 3.983 4.350 0.000 0.000 0.200 77 E C 1.885 178.483 176.600 -0.004 0.000 1.012 77 E CA 2.246 58.652 56.400 0.009 0.000 0.812 77 E CB -0.278 29.433 29.700 0.019 0.000 0.743 77 E HN 0.687 nan 8.360 nan 0.000 0.453 78 D N -0.156 120.248 120.400 0.006 0.000 2.117 78 D HA -0.149 4.492 4.640 0.000 0.000 0.197 78 D C 2.159 178.461 176.300 0.004 0.000 0.987 78 D CA 1.169 55.173 54.000 0.007 0.000 0.829 78 D CB -0.135 40.673 40.800 0.014 0.000 0.961 78 D HN 0.282 nan 8.370 nan 0.000 0.460 79 L N 0.097 121.326 121.223 0.009 0.000 2.046 79 L HA -0.134 4.206 4.340 0.000 0.000 0.208 79 L C 2.564 179.403 176.870 -0.053 0.000 1.077 79 L CA 0.685 55.528 54.840 0.005 0.000 0.747 79 L CB -0.352 41.730 42.059 0.038 0.000 0.896 79 L HN 0.200 nan 8.230 nan 0.000 0.432 80 I N -0.718 119.800 120.570 -0.088 0.000 2.118 80 I HA -0.356 3.814 4.170 0.000 0.000 0.241 80 I C 2.749 178.802 176.117 -0.108 0.000 1.070 80 I CA 1.247 62.454 61.300 -0.156 0.000 1.327 80 I CB -0.426 37.480 38.000 -0.156 0.000 1.034 80 I HN 0.390 nan 8.210 nan 0.000 0.405 81 Q N 0.507 120.273 119.800 -0.056 0.000 2.096 81 Q HA -0.295 4.045 4.340 0.000 0.000 0.208 81 Q C 2.137 178.132 176.000 -0.008 0.000 0.993 81 Q CA 1.938 57.726 55.803 -0.025 0.000 0.862 81 Q CB -0.548 28.188 28.738 -0.003 0.000 0.915 81 Q HN 0.642 nan 8.270 nan 0.000 0.416 82 Q N 0.257 120.057 119.800 -0.001 0.000 1.993 82 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 82 Q C 2.244 178.270 176.000 0.044 0.000 0.984 82 Q CA 1.172 56.990 55.803 0.025 0.000 0.837 82 Q CB -0.119 28.636 28.738 0.029 0.000 0.902 82 Q HN 0.440 nan 8.270 nan 0.000 0.423 83 Q N 0.113 119.931 119.800 0.029 0.000 2.197 83 Q HA -0.186 4.154 4.340 0.000 0.000 0.207 83 Q C 1.980 178.020 176.000 0.066 0.000 0.984 83 Q CA 1.087 56.943 55.803 0.088 0.000 0.869 83 Q CB -0.088 28.619 28.738 -0.050 0.000 0.906 83 Q HN 0.455 nan 8.270 nan 0.000 0.426 84 I N 0.199 120.734 120.570 -0.059 0.000 2.617 84 I HA -0.192 3.978 4.170 0.000 0.000 0.256 84 I C 2.458 178.651 176.117 0.126 0.000 1.167 84 I CA 0.816 62.040 61.300 -0.127 0.000 1.469 84 I CB -0.057 37.849 38.000 -0.156 0.000 1.098 84 I HN 0.204 nan 8.210 nan 0.000 0.436 85 S N 0.523 116.282 115.700 0.099 0.000 2.395 85 S HA -0.065 4.405 4.470 0.000 0.000 0.225 85 S C 1.592 176.267 174.600 0.126 0.000 1.027 85 S CA 0.798 59.062 58.200 0.107 0.000 0.965 85 S CB -0.373 62.870 63.200 0.070 0.000 0.812 85 S HN 0.329 nan 8.310 nan 0.000 0.482 86 N N 2.161 120.934 118.700 0.122 0.000 2.461 86 N HA 0.069 4.810 4.740 0.000 0.000 0.188 86 N C 1.017 176.609 175.510 0.137 0.000 1.134 86 N CA 0.674 53.787 53.050 0.106 0.000 0.878 86 N CB -0.508 38.020 38.487 0.069 0.000 0.972 86 N HN 0.544 nan 8.380 nan 0.000 0.456 87 D N 0.126 120.652 120.400 0.210 0.000 2.157 87 D HA -0.195 4.445 4.640 0.000 0.000 0.191 87 D C 1.438 177.910 176.300 0.286 0.000 1.004 87 D CA 1.550 55.720 54.000 0.283 0.000 0.854 87 D CB -0.126 40.865 40.800 0.320 0.000 0.936 87 D HN 0.208 nan 8.370 nan 0.000 0.446 88 T N -1.284 113.380 114.554 0.184 0.000 3.040 88 T HA 0.199 4.549 4.350 0.000 0.000 0.266 88 T C 1.638 176.405 174.700 0.112 0.000 1.005 88 T CA 0.484 62.666 62.100 0.136 0.000 0.906 88 T CB -0.232 68.689 68.868 0.088 0.000 1.082 88 T HN -0.048 nan 8.240 nan 0.000 0.531 89 V N 2.720 122.702 119.914 0.114 0.000 2.294 89 V HA -0.166 3.954 4.120 0.000 0.000 0.232 89 V C 1.678 177.829 176.094 0.095 0.000 0.982 89 V CA 1.960 64.314 62.300 0.091 0.000 1.014 89 V CB -1.220 30.656 31.823 0.087 0.000 0.667 89 V HN 0.768 nan 8.190 nan 0.000 0.497 90 S N 2.730 118.506 115.700 0.128 0.000 2.593 90 S HA 0.273 4.744 4.470 0.000 0.000 0.269 90 S C -2.246 172.408 174.600 0.090 0.000 1.334 90 S CA -1.002 57.263 58.200 0.109 0.000 1.015 90 S CB 0.197 63.470 63.200 0.122 0.000 0.912 90 S HN 0.549 nan 8.310 nan 0.000 0.541 91 P HA 0.126 nan 4.420 nan 0.000 0.269 91 P C -0.125 177.004 177.300 -0.285 0.000 1.209 91 P CA -0.371 62.655 63.100 -0.123 0.000 0.776 91 P CB 0.386 32.016 31.700 -0.117 0.000 0.876 92 R N 2.527 122.701 120.500 -0.542 0.000 2.566 92 R HA 0.120 4.460 4.340 0.000 0.000 0.273 92 R C 1.149 176.971 176.300 -0.797 0.000 0.981 92 R CA 1.161 56.635 56.100 -1.043 0.000 1.091 92 R CB -0.607 29.031 30.300 -1.104 0.000 0.924 92 R HN 0.676 nan 8.270 nan 0.000 0.411 93 A N 1.853 124.104 122.820 -0.949 0.000 3.100 93 A HA -0.251 4.069 4.320 0.000 0.000 0.268 93 A C 0.527 178.134 177.584 0.037 0.000 1.227 93 A CA 1.444 53.373 52.037 -0.181 0.000 0.967 93 A CB -2.389 16.805 19.000 0.323 0.000 1.066 93 A HN 0.915 nan 8.150 nan 0.000 0.787 94 S N -1.301 114.350 115.700 -0.081 0.000 2.589 94 S HA 0.659 5.129 4.470 0.000 0.000 0.265 94 S C 1.601 176.321 174.600 0.200 0.000 1.342 94 S CA 0.384 58.619 58.200 0.057 0.000 1.005 94 S CB 1.232 64.450 63.200 0.030 0.000 0.909 94 S HN 1.891 nan 8.310 nan 0.000 0.555 95 A N 1.760 124.677 122.820 0.162 0.000 1.884 95 A HA -0.145 4.176 4.320 0.000 0.000 0.219 95 A C 2.526 180.277 177.584 0.278 0.000 1.197 95 A CA 2.552 54.707 52.037 0.197 0.000 0.637 95 A CB -1.756 17.313 19.000 0.116 0.000 0.827 95 A HN 1.451 nan 8.150 nan 0.000 0.450 96 S N -2.218 113.603 115.700 0.201 0.000 2.461 96 S HA -0.135 4.335 4.470 0.000 0.000 0.228 96 S C 1.828 176.545 174.600 0.197 0.000 1.005 96 S CA 1.064 59.371 58.200 0.179 0.000 0.942 96 S CB -0.694 62.578 63.200 0.120 0.000 0.776 96 S HN 0.662 nan 8.310 nan 0.000 0.514 97 Y N 1.505 121.828 120.300 0.039 0.000 2.274 97 Y HA -0.083 4.467 4.550 0.000 0.000 0.290 97 Y C 1.416 177.325 175.900 0.014 0.000 1.145 97 Y CA 1.423 59.513 58.100 -0.016 0.000 1.203 97 Y CB -0.408 37.930 38.460 -0.204 0.000 0.984 97 Y HN 0.311 nan 8.280 nan 0.000 0.533 98 Y N 0.703 121.183 120.300 0.299 0.000 2.578 98 Y HA 0.012 4.562 4.550 0.000 0.000 0.297 98 Y C 1.005 177.017 175.900 0.186 0.000 1.176 98 Y CA 0.719 58.940 58.100 0.202 0.000 1.315 98 Y CB -0.214 38.348 38.460 0.170 0.000 1.031 98 Y HN 0.242 nan 8.280 nan 0.000 0.524 99 E N 0.499 120.832 120.200 0.221 0.000 2.411 99 E HA 0.158 4.508 4.350 0.000 0.000 0.204 99 E C -0.404 176.133 176.600 -0.104 0.000 1.059 99 E CA -0.039 56.417 56.400 0.092 0.000 1.112 99 E CB 0.128 29.904 29.700 0.125 0.000 1.168 99 E HN 0.489 nan 8.360 nan 0.000 0.445 100 Q N -0.220 119.433 119.800 -0.245 0.000 2.418 100 Q HA 0.353 4.694 4.340 0.000 0.000 0.282 100 Q C -1.268 174.297 176.000 -0.726 0.000 1.044 100 Q CA -0.924 54.627 55.803 -0.420 0.000 0.813 100 Q CB 1.560 30.121 28.738 -0.295 0.000 1.428 100 Q HN 0.129 nan 8.270 nan 0.000 0.402 101 Y N 0.858 120.951 120.300 -0.344 0.000 2.304 101 Y HA 0.337 4.888 4.550 0.000 0.000 0.327 101 Y C 0.282 175.903 175.900 -0.465 0.000 1.209 101 Y CA 0.055 58.005 58.100 -0.251 0.000 1.299 101 Y CB 0.795 39.349 38.460 0.156 0.000 1.249 101 Y HN 0.405 nan 8.280 nan 0.000 0.519 102 H N -0.566 118.622 119.070 0.197 0.000 2.821 102 H HA 0.379 4.935 4.556 0.000 0.000 0.373 102 H C -0.686 174.362 175.328 -0.466 0.000 1.165 102 H CA -1.106 54.875 56.048 -0.112 0.000 1.154 102 H CB 1.866 31.460 29.762 -0.279 0.000 1.765 102 H HN 0.632 nan 8.280 nan 0.000 0.549 103 S N 0.787 115.969 115.700 -0.863 0.000 2.601 103 S HA 0.076 4.546 4.470 0.000 0.000 0.271 103 S C 1.445 175.677 174.600 -0.613 0.000 1.305 103 S CA -0.774 56.548 58.200 -1.464 0.000 1.022 103 S CB 1.378 63.820 63.200 -1.265 0.000 0.940 103 S HN 0.560 nan 8.310 nan 0.000 0.525 104 L N 2.204 123.131 121.223 -0.494 0.000 2.034 104 L HA -0.229 4.111 4.340 0.000 0.000 0.217 104 L C 1.851 178.537 176.870 -0.306 0.000 1.077 104 L CA 2.204 56.842 54.840 -0.336 0.000 0.769 104 L CB -1.355 40.531 42.059 -0.289 0.000 0.890 104 L HN 0.843 nan 8.230 nan 0.000 0.435 105 N N -0.958 117.619 118.700 -0.205 0.000 2.120 105 N HA -0.229 4.512 4.740 0.000 0.000 0.188 105 N C 1.776 177.284 175.510 -0.002 0.000 1.024 105 N CA 1.206 54.245 53.050 -0.019 0.000 0.852 105 N CB -0.164 38.315 38.487 -0.014 0.000 1.003 105 N HN 0.478 nan 8.380 nan 0.000 0.424 106 E N 1.037 121.182 120.200 -0.091 0.000 2.110 106 E HA -0.093 4.257 4.350 0.000 0.000 0.193 106 E C 1.645 178.267 176.600 0.036 0.000 0.988 106 E CA 1.026 57.406 56.400 -0.033 0.000 0.804 106 E CB -0.233 29.421 29.700 -0.077 0.000 0.745 106 E HN 0.382 nan 8.360 nan 0.000 0.458 107 I N -0.356 120.187 120.570 -0.045 0.000 2.179 107 I HA -0.309 3.861 4.170 0.000 0.000 0.242 107 I C 1.948 178.178 176.117 0.189 0.000 1.088 107 I CA 1.397 62.704 61.300 0.011 0.000 1.357 107 I CB -0.406 37.478 38.000 -0.194 0.000 1.051 107 I HN 0.207 nan 8.210 nan 0.000 0.409 108 Y N 0.620 120.997 120.300 0.130 0.000 2.165 108 Y HA -0.324 4.227 4.550 0.000 0.000 0.286 108 Y C 3.014 178.992 175.900 0.131 0.000 1.155 108 Y CA 1.382 59.576 58.100 0.158 0.000 1.164 108 Y CB -0.241 38.297 38.460 0.130 0.000 0.978 108 Y HN 0.292 nan 8.280 nan 0.000 0.513 109 S N -0.937 114.928 115.700 0.276 0.000 2.428 109 S HA -0.225 4.245 4.470 0.000 0.000 0.230 109 S C 1.619 176.333 174.600 0.190 0.000 1.014 109 S CA 0.731 59.034 58.200 0.173 0.000 0.957 109 S CB -0.812 62.450 63.200 0.104 0.000 0.784 109 S HN 0.655 nan 8.310 nan 0.000 0.499 110 W N 1.781 123.111 121.300 0.050 0.000 2.409 110 W HA 0.175 4.835 4.660 0.001 0.000 0.299 110 W C 1.661 178.241 176.519 0.103 0.000 1.203 110 W CA 0.829 58.215 57.345 0.067 0.000 1.298 110 W CB -0.265 29.231 29.460 0.061 0.000 1.127 110 W HN 0.239 nan 8.180 nan 0.000 0.528 111 I N 1.095 121.842 120.570 0.295 0.000 2.194 111 I HA -0.342 3.828 4.170 0.000 0.000 0.246 111 I C 2.495 178.508 176.117 -0.173 0.000 1.093 111 I CA 1.553 62.856 61.300 0.004 0.000 1.355 111 I CB -0.495 37.595 38.000 0.150 0.000 1.046 111 I HN -0.012 nan 8.210 nan 0.000 0.413 112 E N 0.386 120.550 120.200 -0.060 0.000 2.007 112 E HA -0.262 4.089 4.350 0.000 0.000 0.194 112 E C 2.048 178.577 176.600 -0.119 0.000 0.999 112 E CA 1.527 57.876 56.400 -0.084 0.000 0.811 112 E CB -0.780 28.914 29.700 -0.010 0.000 0.762 112 E HN 0.467 nan 8.360 nan 0.000 0.450 113 F N 0.970 120.776 119.950 -0.241 0.000 2.043 113 F HA -0.286 4.242 4.527 0.001 0.000 0.297 113 F C 2.393 177.982 175.800 -0.352 0.000 1.118 113 F CA 1.496 59.330 58.000 -0.276 0.000 1.202 113 F CB -0.222 38.610 39.000 -0.281 0.000 0.965 113 F HN 0.015 nan 8.300 nan 0.000 0.482 114 I N -0.034 120.185 120.570 -0.585 0.000 2.394 114 I HA -0.234 3.936 4.170 0.000 0.000 0.251 114 I C 2.357 178.207 176.117 -0.445 0.000 1.136 114 I CA 1.753 62.664 61.300 -0.649 0.000 1.425 114 I CB -0.780 36.622 38.000 -0.996 0.000 1.079 114 I HN 0.194 nan 8.210 nan 0.000 0.425 115 T N -0.386 113.932 114.554 -0.394 0.000 2.995 115 T HA -0.083 4.267 4.350 0.000 0.000 0.269 115 T C 1.610 176.165 174.700 -0.241 0.000 1.091 115 T CA 1.139 63.081 62.100 -0.265 0.000 1.128 115 T CB -0.092 68.642 68.868 -0.223 0.000 0.891 115 T HN 0.431 nan 8.240 nan 0.000 0.492 116 E N -0.095 119.926 120.200 -0.299 0.000 2.400 116 E HA 0.141 4.492 4.350 0.000 0.000 0.195 116 E C 2.219 178.595 176.600 -0.375 0.000 1.012 116 E CA 0.127 56.359 56.400 -0.281 0.000 0.875 116 E CB 0.241 29.796 29.700 -0.242 0.000 0.859 116 E HN 0.184 nan 8.360 nan 0.000 0.498 117 R N 0.087 120.270 120.500 -0.529 0.000 2.237 117 R HA 0.044 4.384 4.340 0.000 0.000 0.195 117 R C 0.213 176.033 176.300 -0.801 0.000 0.956 117 R CA 0.606 56.269 56.100 -0.727 0.000 1.029 117 R CB 0.567 30.255 30.300 -1.020 0.000 0.972 117 R HN 0.170 nan 8.270 nan 0.000 0.493 118 H N -0.293 118.584 119.070 -0.322 0.000 2.712 118 H HA 0.184 4.740 4.556 0.000 0.000 0.226 118 H C -2.121 173.079 175.328 -0.214 0.000 1.422 118 H CA -1.288 54.605 56.048 -0.258 0.000 1.270 118 H CB 1.668 31.270 29.762 -0.268 0.000 1.891 118 H HN 0.188 nan 8.280 nan 0.000 0.518 119 P HA -0.127 nan 4.420 nan 0.000 0.223 119 P C 0.989 178.242 177.300 -0.079 0.000 1.151 119 P CA 1.031 64.071 63.100 -0.101 0.000 0.787 119 P CB 0.279 31.914 31.700 -0.110 0.000 0.788 120 D N -1.834 118.515 120.400 -0.084 0.000 2.392 120 D HA -0.083 4.557 4.640 0.000 0.000 0.228 120 D C 1.624 177.857 176.300 -0.111 0.000 1.003 120 D CA 0.840 54.790 54.000 -0.084 0.000 0.917 120 D CB -0.447 40.302 40.800 -0.085 0.000 0.890 120 D HN 0.247 nan 8.370 nan 0.000 0.532 121 M N -0.953 118.579 119.600 -0.114 0.000 2.069 121 M HA 0.199 4.679 4.480 0.000 0.000 0.208 121 M C 0.230 176.468 176.300 -0.104 0.000 1.459 121 M CA -0.019 55.186 55.300 -0.158 0.000 0.992 121 M CB 1.288 33.749 32.600 -0.231 0.000 1.566 121 M HN -0.146 nan 8.290 nan 0.000 0.571 122 L N 0.590 121.761 121.223 -0.086 0.000 2.387 122 L HA 0.555 4.895 4.340 0.000 0.000 0.266 122 L C -0.508 176.343 176.870 -0.032 0.000 1.059 122 L CA -0.223 54.582 54.840 -0.059 0.000 0.801 122 L CB 1.614 43.616 42.059 -0.095 0.000 1.223 122 L HN 0.062 nan 8.230 nan 0.000 0.456 123 T N 0.585 115.142 114.554 0.005 0.000 3.295 123 T HA 0.164 4.515 4.350 0.000 0.000 0.331 123 T C -0.800 173.935 174.700 0.058 0.000 1.142 123 T CA -0.744 61.375 62.100 0.031 0.000 1.078 123 T CB 1.988 70.901 68.868 0.076 0.000 1.150 123 T HN 0.453 nan 8.240 nan 0.000 0.465 124 K N 3.163 123.578 120.400 0.024 0.000 2.218 124 K HA 0.647 4.967 4.320 0.000 0.000 0.276 124 K C -0.899 175.787 176.600 0.142 0.000 1.022 124 K CA -0.456 55.851 56.287 0.032 0.000 0.946 124 K CB 0.453 32.886 32.500 -0.111 0.000 1.000 124 K HN 0.547 nan 8.250 nan 0.000 0.468 125 I N 4.555 125.265 120.570 0.232 0.000 2.560 125 I HA 0.047 4.218 4.170 0.000 0.000 0.278 125 I C -0.388 175.932 176.117 0.337 0.000 1.089 125 I CA -0.773 60.687 61.300 0.267 0.000 1.086 125 I CB 1.163 39.290 38.000 0.211 0.000 1.202 125 I HN 0.687 nan 8.210 nan 0.000 0.471 126 H N 7.308 126.565 119.070 0.312 0.000 3.145 126 H HA 0.102 4.658 4.556 0.000 0.000 0.288 126 H C 0.619 176.021 175.328 0.125 0.000 0.969 126 H CA 0.876 57.037 56.048 0.188 0.000 1.444 126 H CB 1.153 31.002 29.762 0.144 0.000 1.500 126 H HN 0.784 nan 8.280 nan 0.000 0.552 127 I N 2.201 122.631 120.570 -0.233 0.000 4.018 127 I HA 0.464 4.634 4.170 0.000 0.000 0.337 127 I C 0.712 176.693 176.117 -0.227 0.000 1.327 127 I CA 0.251 61.484 61.300 -0.110 0.000 1.100 127 I CB 0.852 38.836 38.000 -0.026 0.000 1.025 127 I HN 0.626 nan 8.210 nan 0.000 0.396 128 G N 0.343 108.753 108.800 -0.651 0.000 2.345 128 G HA2 0.323 4.283 3.960 0.000 0.000 0.285 128 G HA3 0.323 4.283 3.960 0.000 0.000 0.285 128 G C -1.566 173.144 174.900 -0.318 0.000 1.297 128 G CA -0.399 44.474 45.100 -0.378 0.000 0.875 128 G HN 0.076 nan 8.290 nan 0.000 0.506 129 S N -0.479 115.189 115.700 -0.053 0.000 2.536 129 S HA 0.788 5.258 4.470 0.000 0.000 0.298 129 S C 0.625 175.258 174.600 0.055 0.000 1.083 129 S CA 0.066 58.282 58.200 0.026 0.000 0.995 129 S CB 1.574 64.808 63.200 0.056 0.000 1.058 129 S HN 1.611 nan 8.310 nan 0.000 0.488 130 S N 1.397 117.161 115.700 0.108 0.000 2.634 130 S HA 0.252 4.722 4.470 0.000 0.000 0.254 130 S C 0.924 175.615 174.600 0.151 0.000 1.299 130 S CA -0.315 57.985 58.200 0.166 0.000 0.974 130 S CB -0.224 63.132 63.200 0.259 0.000 1.001 130 S HN 0.633 nan 8.310 nan 0.000 0.584 131 F N 1.217 121.197 119.950 0.051 0.000 2.146 131 F HA 0.041 4.569 4.527 0.000 0.000 0.298 131 F C 2.258 178.045 175.800 -0.022 0.000 1.096 131 F CA 1.715 59.725 58.000 0.016 0.000 1.275 131 F CB -0.332 38.678 39.000 0.017 0.000 1.008 131 F HN 0.712 nan 8.300 nan 0.000 0.480 132 E N 0.312 120.594 120.200 0.137 0.000 2.494 132 E HA -0.046 4.305 4.350 0.000 0.000 0.193 132 E C 0.119 176.555 176.600 -0.274 0.000 1.074 132 E CA 0.193 56.546 56.400 -0.079 0.000 0.867 132 E CB -0.053 29.633 29.700 -0.024 0.000 0.924 132 E HN 0.335 nan 8.360 nan 0.000 0.502 133 K N -0.276 120.037 120.400 -0.144 0.000 3.192 133 K HA -0.195 4.125 4.320 0.000 0.000 0.278 133 K C -0.874 175.641 176.600 -0.141 0.000 1.164 133 K CA 0.351 56.561 56.287 -0.128 0.000 0.816 133 K CB -1.964 30.442 32.500 -0.157 0.000 1.256 133 K HN 0.173 nan 8.250 nan 0.000 0.497 134 Y N 1.237 121.580 120.300 0.072 0.000 2.326 134 Y HA 0.182 4.732 4.550 0.000 0.000 0.333 134 Y C -1.612 174.314 175.900 0.043 0.000 1.240 134 Y CA -2.115 56.034 58.100 0.082 0.000 1.365 134 Y CB 0.035 38.630 38.460 0.225 0.000 1.289 134 Y HN -0.002 nan 8.280 nan 0.000 0.548 135 P HA 0.174 nan 4.420 nan 0.000 0.281 135 P C -1.142 176.062 177.300 -0.161 0.000 1.252 135 P CA -0.058 62.973 63.100 -0.116 0.000 0.778 135 P CB 0.741 32.193 31.700 -0.412 0.000 0.895 136 L N 4.892 125.982 121.223 -0.222 0.000 2.257 136 L HA 0.376 4.716 4.340 0.000 0.000 0.290 136 L C -0.023 176.733 176.870 -0.190 0.000 1.044 136 L CA -0.696 54.077 54.840 -0.112 0.000 0.810 136 L CB -0.055 41.966 42.059 -0.064 0.000 1.193 136 L HN 0.326 nan 8.230 nan 0.000 0.425 137 Y N 2.299 122.689 120.300 0.150 0.000 2.409 137 Y HA 0.574 5.124 4.550 0.000 0.000 0.339 137 Y C 0.078 176.019 175.900 0.068 0.000 1.033 137 Y CA -0.913 57.263 58.100 0.127 0.000 1.094 137 Y CB 2.092 40.671 38.460 0.199 0.000 1.210 137 Y HN 0.159 nan 8.280 nan 0.000 0.456 138 V N 4.690 124.725 119.914 0.201 0.000 2.555 138 V HA 0.402 4.522 4.120 0.000 0.000 0.302 138 V C -0.482 175.693 176.094 0.134 0.000 1.038 138 V CA -0.999 61.345 62.300 0.073 0.000 0.887 138 V CB 1.764 33.512 31.823 -0.124 0.000 0.991 138 V HN 0.548 nan 8.190 nan 0.000 0.434 139 L N 4.614 125.915 121.223 0.130 0.000 2.265 139 L HA 0.511 4.851 4.340 0.000 0.000 0.289 139 L C 0.239 177.219 176.870 0.184 0.000 1.033 139 L CA -0.447 54.478 54.840 0.141 0.000 0.814 139 L CB 1.168 43.303 42.059 0.127 0.000 1.203 139 L HN 0.593 nan 8.230 nan 0.000 0.423 140 K N 3.010 123.532 120.400 0.203 0.000 2.322 140 K HA 0.418 4.739 4.320 0.000 0.000 0.283 140 K C -0.993 175.642 176.600 0.058 0.000 1.042 140 K CA -0.399 55.970 56.287 0.137 0.000 0.958 140 K CB 1.043 33.653 32.500 0.184 0.000 0.984 140 K HN 0.367 nan 8.250 nan 0.000 0.473 141 V N 3.937 123.881 119.914 0.051 0.000 2.448 141 V HA 0.414 4.535 4.120 0.000 0.000 0.295 141 V C -0.111 176.014 176.094 0.052 0.000 1.025 141 V CA -0.429 61.910 62.300 0.066 0.000 0.859 141 V CB 1.131 33.036 31.823 0.138 0.000 0.988 141 V HN 1.077 nan 8.190 nan 0.000 0.431 142 S N 2.931 118.624 115.700 -0.011 0.000 3.127 142 S HA 0.943 5.413 4.470 0.000 0.000 0.314 142 S C 0.110 174.661 174.600 -0.082 0.000 1.238 142 S CA 0.188 58.375 58.200 -0.021 0.000 1.074 142 S CB 1.037 64.216 63.200 -0.035 0.000 1.417 142 S HN 2.397 nan 8.310 nan 0.000 0.597 143 G N 0.935 109.703 108.800 -0.053 0.000 2.782 143 G HA2 -0.130 3.831 3.960 0.000 0.000 0.228 143 G HA3 -0.130 3.831 3.960 0.000 0.000 0.228 143 G C -0.231 174.630 174.900 -0.066 0.000 1.372 143 G CA 0.138 45.194 45.100 -0.075 0.000 0.862 143 G HN 0.879 nan 8.290 nan 0.000 0.547 144 K N 0.146 120.535 120.400 -0.018 0.000 2.404 144 K HA 0.150 4.470 4.320 0.000 0.000 0.194 144 K C 2.030 178.646 176.600 0.027 0.000 1.023 144 K CA 0.777 57.047 56.287 -0.027 0.000 1.094 144 K CB 0.233 32.728 32.500 -0.008 0.000 0.841 144 K HN 0.592 nan 8.250 nan 0.000 0.523 145 E N 1.035 121.270 120.200 0.058 0.000 2.106 145 E HA -0.116 4.235 4.350 0.000 0.000 0.192 145 E C -0.149 176.467 176.600 0.027 0.000 0.984 145 E CA 0.375 56.803 56.400 0.048 0.000 0.806 145 E CB 0.073 29.809 29.700 0.061 0.000 0.750 145 E HN 0.146 nan 8.360 nan 0.000 0.458 146 Q N 0.489 120.300 119.800 0.018 0.000 2.383 146 Q HA -0.172 4.168 4.340 0.000 0.000 0.359 146 Q C -0.686 175.325 176.000 0.018 0.000 1.291 146 Q CA 1.159 56.970 55.803 0.013 0.000 1.076 146 Q CB -1.472 27.271 28.738 0.009 0.000 1.193 146 Q HN 0.255 nan 8.270 nan 0.000 0.302 147 T N -1.287 113.277 114.554 0.018 0.000 3.305 147 T HA 0.491 4.841 4.350 0.000 0.000 0.309 147 T C -0.390 174.319 174.700 0.016 0.000 0.889 147 T CA 0.829 62.940 62.100 0.018 0.000 1.386 147 T CB -0.068 68.812 68.868 0.019 0.000 0.929 147 T HN 1.092 nan 8.240 nan 0.000 0.538 148 A N 2.874 125.706 122.820 0.019 0.000 2.303 148 A HA -0.113 4.207 4.320 0.000 0.000 0.286 148 A C 0.010 177.600 177.584 0.011 0.000 1.429 148 A CA 1.282 53.330 52.037 0.018 0.000 0.738 148 A CB -1.704 17.305 19.000 0.015 0.000 1.149 148 A HN 0.750 nan 8.150 nan 0.000 0.364 149 K N 0.927 121.332 120.400 0.008 0.000 2.316 149 K HA 0.451 4.771 4.320 0.000 0.000 0.251 149 K C 0.184 176.779 176.600 -0.008 0.000 0.934 149 K CA -1.142 55.138 56.287 -0.011 0.000 0.802 149 K CB 1.006 33.488 32.500 -0.030 0.000 1.171 149 K HN 0.566 nan 8.250 nan 0.000 0.426 150 N N 0.814 119.501 118.700 -0.022 0.000 2.267 150 N HA 0.123 4.863 4.740 0.000 0.000 0.226 150 N C -0.561 174.923 175.510 -0.042 0.000 1.314 150 N CA 0.305 53.347 53.050 -0.012 0.000 0.887 150 N CB 0.544 39.015 38.487 -0.028 0.000 1.120 150 N HN 0.659 nan 8.380 nan 0.000 0.440 151 A N 0.209 123.035 122.820 0.010 0.000 2.527 151 A HA 0.766 5.087 4.320 0.000 0.000 0.293 151 A C -0.670 176.928 177.584 0.024 0.000 1.117 151 A CA -0.621 51.398 52.037 -0.030 0.000 0.723 151 A CB 1.201 20.273 19.000 0.121 0.000 1.313 151 A HN 0.536 nan 8.150 nan 0.000 0.411 152 I N 0.926 121.454 120.570 -0.071 0.000 2.530 152 I HA 0.373 4.543 4.170 0.000 0.000 0.297 152 I C -0.805 175.546 176.117 0.390 0.000 1.011 152 I CA -0.474 60.889 61.300 0.105 0.000 1.107 152 I CB 1.812 39.748 38.000 -0.105 0.000 1.285 152 I HN 0.790 nan 8.210 nan 0.000 0.436 153 W N 7.639 129.116 121.300 0.296 0.000 2.520 153 W HA 0.699 5.359 4.660 0.000 0.000 0.323 153 W C -1.919 174.698 176.519 0.163 0.000 1.062 153 W CA -0.672 56.872 57.345 0.333 0.000 1.215 153 W CB 1.383 31.079 29.460 0.395 0.000 1.340 153 W HN 0.306 nan 8.180 nan 0.000 0.516 154 I N 5.318 125.597 120.570 -0.485 0.000 2.534 154 I HA 0.129 4.300 4.170 0.000 0.000 0.288 154 I C -1.013 174.669 176.117 -0.724 0.000 1.077 154 I CA -0.622 60.410 61.300 -0.446 0.000 1.051 154 I CB 2.324 40.156 38.000 -0.280 0.000 1.234 154 I HN 0.351 nan 8.210 nan 0.000 0.425 155 D N 4.795 124.961 120.400 -0.389 0.000 2.342 155 D HA 0.682 5.323 4.640 0.000 0.000 0.243 155 D C -0.956 175.284 176.300 -0.100 0.000 1.019 155 D CA -0.378 53.509 54.000 -0.189 0.000 0.864 155 D CB 1.921 42.837 40.800 0.194 0.000 1.315 155 D HN 0.340 nan 8.370 nan 0.000 0.468 156 c N 0.351 118.907 118.600 -0.073 0.000 2.848 156 c HA 0.895 5.465 4.570 0.000 0.000 0.317 156 c C 1.174 175.230 174.090 -0.058 0.000 1.260 156 c CA -0.010 56.285 56.329 -0.056 0.000 1.656 156 c CB 0.882 43.386 42.510 -0.008 0.000 2.174 156 c HN 1.123 nan 8.230 nan 0.000 0.479 157 G N 1.001 109.770 108.800 -0.051 0.000 2.198 157 G HA2 -0.236 3.724 3.960 0.000 0.000 0.260 157 G HA3 -0.236 3.724 3.960 0.000 0.000 0.260 157 G C 0.477 175.388 174.900 0.018 0.000 1.025 157 G CA 0.518 45.608 45.100 -0.018 0.000 0.769 157 G HN 0.803 nan 8.290 nan 0.000 0.507 158 I N -0.622 119.922 120.570 -0.043 0.000 2.208 158 I HA -0.069 4.101 4.170 0.000 0.000 0.245 158 I C 1.378 177.421 176.117 -0.123 0.000 1.097 158 I CA 1.227 62.482 61.300 -0.074 0.000 1.363 158 I CB -0.073 37.861 38.000 -0.109 0.000 1.051 158 I HN 0.408 nan 8.210 nan 0.000 0.413 159 H N -0.985 118.209 119.070 0.208 0.000 2.504 159 H HA 0.374 4.930 4.556 0.000 0.000 0.322 159 H C 0.944 176.398 175.328 0.211 0.000 1.055 159 H CA -0.080 56.079 56.048 0.184 0.000 1.231 159 H CB 1.615 31.474 29.762 0.162 0.000 1.417 159 H HN 0.069 nan 8.280 nan 0.000 0.472 160 A N 3.994 127.035 122.820 0.369 0.000 1.892 160 A HA -0.227 4.093 4.320 0.000 0.000 0.218 160 A C 2.169 180.040 177.584 0.478 0.000 1.188 160 A CA 1.814 54.137 52.037 0.475 0.000 0.631 160 A CB -0.344 18.985 19.000 0.549 0.000 0.822 160 A HN 0.858 nan 8.150 nan 0.000 0.447 161 R N 0.160 120.751 120.500 0.152 0.000 2.313 161 R HA 0.079 4.419 4.340 0.000 0.000 0.199 161 R C -0.380 175.787 176.300 -0.222 0.000 0.958 161 R CA 0.750 56.762 56.100 -0.147 0.000 1.047 161 R CB -0.274 29.676 30.300 -0.584 0.000 0.955 161 R HN 0.495 nan 8.270 nan 0.000 0.481 162 E N 1.032 121.298 120.200 0.110 0.000 2.232 162 E HA 0.019 4.369 4.350 0.000 0.000 0.296 162 E C -0.292 176.585 176.600 0.462 0.000 1.372 162 E CA -0.495 56.042 56.400 0.229 0.000 1.527 162 E CB 0.020 29.886 29.700 0.277 0.000 1.424 162 E HN 0.331 nan 8.360 nan 0.000 0.485 163 W N 0.356 121.750 121.300 0.156 0.000 2.392 163 W HA -0.136 4.524 4.660 0.001 0.000 0.279 163 W C 1.726 178.477 176.519 0.387 0.000 1.225 163 W CA 0.071 57.560 57.345 0.241 0.000 1.233 163 W CB -0.452 28.945 29.460 -0.105 0.000 1.122 163 W HN 0.424 nan 8.180 nan 0.000 0.561 164 I N -0.061 120.874 120.570 0.608 0.000 2.756 164 I HA -0.224 3.946 4.170 0.000 0.000 0.262 164 I C 2.538 178.879 176.117 0.374 0.000 1.225 164 I CA 1.489 63.114 61.300 0.543 0.000 1.472 164 I CB -0.687 37.554 38.000 0.400 0.000 1.094 164 I HN -0.133 nan 8.210 nan 0.000 0.454 165 S N 0.912 116.805 115.700 0.320 0.000 2.335 165 S HA -0.010 4.460 4.470 0.000 0.000 0.216 165 S C -0.149 174.567 174.600 0.194 0.000 1.032 165 S CA 1.493 59.825 58.200 0.220 0.000 1.000 165 S CB -1.179 62.100 63.200 0.132 0.000 0.928 165 S HN 0.265 nan 8.310 nan 0.000 0.434 166 P HA -0.062 nan 4.420 nan 0.000 0.216 166 P C 1.547 178.886 177.300 0.065 0.000 1.153 166 P CA 1.749 64.844 63.100 -0.008 0.000 0.858 166 P CB -0.315 31.258 31.700 -0.210 0.000 0.789 167 A N -0.900 122.026 122.820 0.177 0.000 1.903 167 A HA -0.270 4.050 4.320 0.000 0.000 0.219 167 A C 2.154 179.863 177.584 0.209 0.000 1.191 167 A CA 2.022 54.157 52.037 0.165 0.000 0.638 167 A CB -1.938 17.161 19.000 0.165 0.000 0.823 167 A HN 0.199 nan 8.150 nan 0.000 0.451 168 F N 0.161 120.185 119.950 0.123 0.000 2.102 168 F HA -0.213 4.314 4.527 0.000 0.000 0.298 168 F C 2.521 178.459 175.800 0.230 0.000 1.105 168 F CA 1.521 59.608 58.000 0.145 0.000 1.239 168 F CB -0.795 38.243 39.000 0.063 0.000 0.991 168 F HN 0.309 nan 8.300 nan 0.000 0.474 169 c N 0.796 119.415 118.600 0.031 0.000 2.413 169 c HA -0.177 4.394 4.570 0.000 0.000 0.277 169 c C 2.868 176.960 174.090 0.003 0.000 1.228 169 c CA 1.169 57.473 56.329 -0.042 0.000 1.731 169 c CB -1.339 41.170 42.510 -0.002 0.000 2.042 169 c HN 0.515 nan 8.230 nan 0.000 0.468 170 L N -1.033 120.160 121.223 -0.050 0.000 1.971 170 L HA -0.252 4.088 4.340 0.000 0.000 0.215 170 L C 2.497 179.452 176.870 0.141 0.000 1.072 170 L CA 2.319 57.097 54.840 -0.103 0.000 0.758 170 L CB -1.073 40.816 42.059 -0.284 0.000 0.889 170 L HN 0.558 nan 8.230 nan 0.000 0.433 171 W N 0.488 121.773 121.300 -0.024 0.000 2.304 171 W HA -0.343 4.318 4.660 0.001 0.000 0.315 171 W C 2.632 178.993 176.519 -0.263 0.000 1.233 171 W CA 2.118 59.377 57.345 -0.143 0.000 1.261 171 W CB -0.471 28.927 29.460 -0.103 0.000 1.150 171 W HN 0.078 nan 8.180 nan 0.000 0.494 172 F N 0.378 120.254 119.950 -0.123 0.000 2.075 172 F HA -0.224 4.303 4.527 0.000 0.000 0.297 172 F C 2.135 177.847 175.800 -0.147 0.000 1.113 172 F CA 2.520 60.413 58.000 -0.179 0.000 1.218 172 F CB -0.741 37.950 39.000 -0.515 0.000 0.984 172 F HN -0.200 nan 8.300 nan 0.000 0.472 173 I N 0.466 121.006 120.570 -0.050 0.000 2.226 173 I HA -0.242 3.928 4.170 0.000 0.000 0.245 173 I C 2.797 178.776 176.117 -0.230 0.000 1.100 173 I CA 1.530 62.781 61.300 -0.081 0.000 1.374 173 I CB -1.312 36.856 38.000 0.281 0.000 1.057 173 I HN 0.333 nan 8.210 nan 0.000 0.413 174 G N -0.392 108.232 108.800 -0.294 0.000 2.446 174 G HA2 -0.307 3.653 3.960 0.000 0.000 0.217 174 G HA3 -0.307 3.653 3.960 0.000 0.000 0.217 174 G C 1.445 175.881 174.900 -0.773 0.000 1.168 174 G CA 1.077 45.773 45.100 -0.673 0.000 0.771 174 G HN 0.360 nan 8.290 nan 0.000 0.551 175 H N 0.079 118.592 119.070 -0.929 0.000 2.353 175 H HA 0.013 4.570 4.556 0.000 0.000 0.300 175 H C 2.674 177.619 175.328 -0.638 0.000 1.090 175 H CA 1.234 56.782 56.048 -0.833 0.000 1.327 175 H CB -0.001 29.083 29.762 -1.129 0.000 1.383 175 H HN 0.200 nan 8.280 nan 0.000 0.508 176 I N -0.093 120.200 120.570 -0.462 0.000 2.142 176 I HA -0.265 3.905 4.170 0.000 0.000 0.240 176 I C 2.176 178.128 176.117 -0.275 0.000 1.078 176 I CA 1.477 62.613 61.300 -0.273 0.000 1.343 176 I CB -1.189 36.622 38.000 -0.316 0.000 1.046 176 I HN 0.284 nan 8.210 nan 0.000 0.405 177 T N 0.631 114.929 114.554 -0.426 0.000 2.699 177 T HA -0.254 4.096 4.350 0.000 0.000 0.268 177 T C 1.938 176.312 174.700 -0.544 0.000 1.036 177 T CA 1.648 63.389 62.100 -0.598 0.000 1.147 177 T CB -0.183 68.213 68.868 -0.786 0.000 0.862 177 T HN 0.394 nan 8.240 nan 0.000 0.446 178 Q N -0.801 118.644 119.800 -0.592 0.000 2.137 178 Q HA 0.085 4.425 4.340 0.000 0.000 0.198 178 Q C 1.602 177.099 176.000 -0.838 0.000 0.960 178 Q CA 1.159 56.517 55.803 -0.740 0.000 0.847 178 Q CB -0.014 28.081 28.738 -1.073 0.000 0.915 178 Q HN 0.491 nan 8.270 nan 0.000 0.448 179 F N -1.685 118.001 119.950 -0.441 0.000 2.731 179 F HA 0.117 4.644 4.527 0.000 0.000 0.298 179 F C 0.228 175.944 175.800 -0.141 0.000 1.106 179 F CA -0.781 56.987 58.000 -0.387 0.000 1.329 179 F CB 0.058 38.594 39.000 -0.775 0.000 1.100 179 F HN -0.016 nan 8.300 nan 0.000 0.592 180 Y N 1.535 121.804 120.300 -0.052 0.000 2.916 180 Y HA 0.210 4.760 4.550 -0.000 0.000 0.344 180 Y C 1.368 177.274 175.900 0.009 0.000 1.282 180 Y CA 0.902 59.013 58.100 0.017 0.000 1.604 180 Y CB 0.063 38.499 38.460 -0.039 0.000 1.207 180 Y HN 0.378 nan 8.280 nan 0.000 0.561 181 G N 4.072 112.669 108.800 -0.338 0.000 2.217 181 G HA2 -0.324 3.637 3.960 0.000 0.000 0.246 181 G HA3 -0.324 3.637 3.960 0.000 0.000 0.246 181 G C 0.739 175.611 174.900 -0.048 0.000 0.990 181 G CA 0.547 45.548 45.100 -0.166 0.000 0.627 181 G HN 0.673 nan 8.290 nan 0.000 0.522 182 I N -0.202 120.378 120.570 0.016 0.000 2.947 182 I HA 0.405 4.575 4.170 0.000 0.000 0.263 182 I C 0.957 177.141 176.117 0.111 0.000 1.130 182 I CA 0.443 61.792 61.300 0.081 0.000 1.448 182 I CB 0.244 38.333 38.000 0.149 0.000 1.222 182 I HN 0.069 nan 8.210 nan 0.000 0.453 183 I N 0.975 121.650 120.570 0.174 0.000 2.389 183 I HA 0.268 4.439 4.170 0.000 0.000 0.288 183 I C 1.284 177.505 176.117 0.173 0.000 0.999 183 I CA -0.292 61.117 61.300 0.181 0.000 1.129 183 I CB 1.894 40.052 38.000 0.264 0.000 1.288 183 I HN 0.062 nan 8.210 nan 0.000 0.444 184 G N 3.970 112.818 108.800 0.080 0.000 2.513 184 G HA2 -0.322 3.638 3.960 0.000 0.000 0.219 184 G HA3 -0.322 3.638 3.960 0.000 0.000 0.219 184 G C 1.297 176.247 174.900 0.083 0.000 1.160 184 G CA 1.220 46.349 45.100 0.050 0.000 0.767 184 G HN 0.774 nan 8.290 nan 0.000 0.571 185 Q N -0.783 119.042 119.800 0.042 0.000 2.173 185 Q HA -0.235 4.106 4.340 0.000 0.000 0.208 185 Q C 2.168 178.194 176.000 0.044 0.000 0.989 185 Q CA 1.954 57.753 55.803 -0.007 0.000 0.872 185 Q CB -0.360 28.279 28.738 -0.164 0.000 0.909 185 Q HN 0.657 nan 8.270 nan 0.000 0.420 186 Y N 0.191 120.606 120.300 0.191 0.000 2.343 186 Y HA 0.048 4.598 4.550 0.000 0.000 0.294 186 Y C 2.681 178.669 175.900 0.147 0.000 1.122 186 Y CA 1.168 59.394 58.100 0.210 0.000 1.173 186 Y CB -0.376 38.168 38.460 0.140 0.000 1.077 186 Y HN 0.082 nan 8.280 nan 0.000 0.542 187 T N 0.655 115.273 114.554 0.107 0.000 2.607 187 T HA -0.204 4.147 4.350 0.000 0.000 0.267 187 T C 1.543 176.272 174.700 0.049 0.000 1.049 187 T CA 1.852 63.820 62.100 -0.220 0.000 1.162 187 T CB -0.432 68.238 68.868 -0.330 0.000 0.863 187 T HN 0.329 nan 8.240 nan 0.000 0.424 188 N N 1.212 120.002 118.700 0.149 0.000 2.331 188 N HA 0.020 4.761 4.740 0.000 0.000 0.180 188 N C 1.780 177.457 175.510 0.278 0.000 1.019 188 N CA 0.365 53.563 53.050 0.247 0.000 0.881 188 N CB -0.500 38.184 38.487 0.328 0.000 0.972 188 N HN 0.203 nan 8.380 nan 0.000 0.435 189 L N 0.922 122.344 121.223 0.332 0.000 2.042 189 L HA -0.024 4.316 4.340 0.000 0.000 0.210 189 L C 1.853 178.759 176.870 0.060 0.000 1.076 189 L CA 1.486 56.382 54.840 0.095 0.000 0.749 189 L CB -0.468 41.770 42.059 0.298 0.000 0.893 189 L HN 0.136 nan 8.230 nan 0.000 0.432 190 L N -1.360 120.002 121.223 0.232 0.000 2.298 190 L HA 0.018 4.358 4.340 0.000 0.000 0.209 190 L C 2.585 179.577 176.870 0.203 0.000 1.084 190 L CA 0.350 55.360 54.840 0.282 0.000 0.816 190 L CB -0.342 41.973 42.059 0.427 0.000 0.967 190 L HN 0.272 nan 8.230 nan 0.000 0.460 191 R N 0.492 121.127 120.500 0.225 0.000 2.211 191 R HA -0.175 4.165 4.340 0.000 0.000 0.240 191 R C 1.514 177.849 176.300 0.058 0.000 1.144 191 R CA 1.293 57.487 56.100 0.157 0.000 0.992 191 R CB 0.038 30.420 30.300 0.137 0.000 0.869 191 R HN 0.397 nan 8.270 nan 0.000 0.462 192 L N -0.958 120.258 121.223 -0.011 0.000 2.781 192 L HA 0.267 4.607 4.340 0.000 0.000 0.245 192 L C 0.013 176.796 176.870 -0.145 0.000 1.118 192 L CA -0.196 54.594 54.840 -0.083 0.000 0.918 192 L CB 1.467 43.438 42.059 -0.147 0.000 1.246 192 L HN -0.149 nan 8.230 nan 0.000 0.526 193 V N -0.732 119.079 119.914 -0.172 0.000 3.120 193 V HA 0.457 4.578 4.120 0.000 0.000 0.303 193 V C -1.685 174.246 176.094 -0.271 0.000 1.238 193 V CA -0.658 61.481 62.300 -0.269 0.000 1.008 193 V CB 2.957 34.525 31.823 -0.425 0.000 1.064 193 V HN -0.076 nan 8.190 nan 0.000 0.434 194 D N 2.630 122.847 120.400 -0.306 0.000 2.326 194 D HA 0.610 5.250 4.640 0.000 0.000 0.251 194 D C -1.152 174.887 176.300 -0.436 0.000 1.023 194 D CA 0.273 54.123 54.000 -0.250 0.000 0.966 194 D CB 1.667 42.316 40.800 -0.252 0.000 1.156 194 D HN 0.333 nan 8.370 nan 0.000 0.494 195 F N 0.360 120.236 119.950 -0.124 0.000 2.532 195 F HA 0.360 4.887 4.527 0.000 0.000 0.321 195 F C -0.497 175.190 175.800 -0.189 0.000 1.089 195 F CA -0.885 57.089 58.000 -0.043 0.000 0.926 195 F CB 1.296 40.387 39.000 0.152 0.000 1.168 195 F HN 0.119 nan 8.300 nan 0.000 0.459 196 Y N 2.338 122.840 120.300 0.337 0.000 2.417 196 Y HA 0.556 5.106 4.550 0.000 0.000 0.336 196 Y C -0.358 175.459 175.900 -0.139 0.000 0.961 196 Y CA -1.028 57.188 58.100 0.194 0.000 1.215 196 Y CB 1.169 39.894 38.460 0.441 0.000 1.120 196 Y HN 0.177 nan 8.280 nan 0.000 0.499 197 V N 5.551 125.462 119.914 -0.004 0.000 2.398 197 V HA 0.354 4.475 4.120 0.000 0.000 0.286 197 V C -0.170 175.786 176.094 -0.230 0.000 1.026 197 V CA -0.870 61.330 62.300 -0.167 0.000 0.868 197 V CB 1.689 33.535 31.823 0.039 0.000 0.982 197 V HN 0.787 nan 8.190 nan 0.000 0.443 198 M N 7.926 127.292 119.600 -0.390 0.000 2.027 198 M HA 0.387 4.867 4.480 0.000 0.000 0.329 198 M C -1.917 174.324 176.300 -0.098 0.000 0.971 198 M CA -1.937 53.238 55.300 -0.209 0.000 0.933 198 M CB 2.029 34.505 32.600 -0.207 0.000 1.392 198 M HN 0.350 nan 8.290 nan 0.000 0.394 199 P HA -0.079 nan 4.420 nan 0.000 0.216 199 P C -0.307 176.932 177.300 -0.101 0.000 1.150 199 P CA 0.987 64.060 63.100 -0.046 0.000 0.837 199 P CB 0.111 31.806 31.700 -0.009 0.000 0.786 200 V N -0.559 119.306 119.914 -0.082 0.000 2.516 200 V HA 0.081 4.201 4.120 0.000 0.000 0.271 200 V C 1.316 177.401 176.094 -0.015 0.000 0.992 200 V CA -0.307 61.919 62.300 -0.124 0.000 0.857 200 V CB 1.440 33.096 31.823 -0.279 0.000 1.047 200 V HN -0.237 nan 8.190 nan 0.000 0.455 201 V N 2.109 122.044 119.914 0.035 0.000 2.261 201 V HA -0.132 3.988 4.120 0.000 0.000 0.246 201 V C 1.602 177.762 176.094 0.110 0.000 1.047 201 V CA 2.139 64.502 62.300 0.106 0.000 1.015 201 V CB -0.240 31.674 31.823 0.152 0.000 0.642 201 V HN 0.879 nan 8.190 nan 0.000 0.446 202 N N 0.403 119.169 118.700 0.109 0.000 3.209 202 N HA 0.106 4.846 4.740 0.000 0.000 0.309 202 N C 0.833 176.462 175.510 0.198 0.000 1.384 202 N CA 0.048 53.197 53.050 0.167 0.000 1.173 202 N CB 0.432 39.034 38.487 0.191 0.000 1.460 202 N HN 0.116 nan 8.380 nan 0.000 0.534 203 V N 0.670 120.680 119.914 0.160 0.000 2.233 203 V HA -0.326 3.794 4.120 0.000 0.000 0.252 203 V C 1.602 177.841 176.094 0.241 0.000 1.063 203 V CA 2.085 64.477 62.300 0.152 0.000 1.032 203 V CB -0.363 31.554 31.823 0.157 0.000 0.645 203 V HN 0.463 nan 8.190 nan 0.000 0.446 204 D N 0.224 120.812 120.400 0.312 0.000 2.116 204 D HA -0.137 4.503 4.640 0.000 0.000 0.193 204 D C 2.125 178.610 176.300 0.308 0.000 0.998 204 D CA 1.754 55.960 54.000 0.344 0.000 0.836 204 D CB -0.807 40.178 40.800 0.308 0.000 0.951 204 D HN 0.489 nan 8.370 nan 0.000 0.449 205 G N -0.354 108.651 108.800 0.342 0.000 2.453 205 G HA2 -0.332 3.629 3.960 0.000 0.000 0.215 205 G HA3 -0.332 3.629 3.960 0.000 0.000 0.215 205 G C 1.574 176.758 174.900 0.474 0.000 1.201 205 G CA 0.858 46.235 45.100 0.462 0.000 0.784 205 G HN 0.256 nan 8.290 nan 0.000 0.545 206 Y N 1.728 122.205 120.300 0.295 0.000 2.062 206 Y HA -0.302 4.248 4.550 0.001 0.000 0.273 206 Y C 2.488 178.531 175.900 0.239 0.000 1.206 206 Y CA 2.471 60.718 58.100 0.243 0.000 1.125 206 Y CB -0.528 37.976 38.460 0.072 0.000 0.951 206 Y HN 0.353 nan 8.280 nan 0.000 0.501 207 D N -1.620 118.869 120.400 0.147 0.000 2.097 207 D HA -0.267 4.373 4.640 0.000 0.000 0.195 207 D C 2.124 178.507 176.300 0.139 0.000 0.989 207 D CA 1.608 55.632 54.000 0.038 0.000 0.827 207 D CB -0.712 40.112 40.800 0.040 0.000 0.966 207 D HN 0.476 nan 8.370 nan 0.000 0.456 208 Y N 0.835 121.180 120.300 0.074 0.000 2.193 208 Y HA -0.251 4.299 4.550 0.000 0.000 0.285 208 Y C 2.487 178.432 175.900 0.075 0.000 1.166 208 Y CA 2.187 60.297 58.100 0.016 0.000 1.181 208 Y CB -0.539 37.840 38.460 -0.136 0.000 0.976 208 Y HN 0.112 nan 8.280 nan 0.000 0.520 209 S N -1.818 114.030 115.700 0.246 0.000 2.453 209 S HA -0.172 4.299 4.470 0.000 0.000 0.231 209 S C 1.697 176.445 174.600 0.247 0.000 1.005 209 S CA 0.727 59.086 58.200 0.265 0.000 0.949 209 S CB -0.865 62.605 63.200 0.451 0.000 0.774 209 S HN 0.577 nan 8.310 nan 0.000 0.510 210 W N 2.025 123.311 121.300 -0.023 0.000 2.443 210 W HA 0.335 4.996 4.660 0.001 0.000 0.296 210 W C 2.591 179.081 176.519 -0.049 0.000 1.202 210 W CA 0.606 57.927 57.345 -0.041 0.000 1.312 210 W CB 0.089 29.381 29.460 -0.280 0.000 1.120 210 W HN 0.273 nan 8.180 nan 0.000 0.536 211 K N -0.568 119.902 120.400 0.118 0.000 2.121 211 K HA 0.036 4.356 4.320 0.000 0.000 0.203 211 K C 1.943 178.466 176.600 -0.129 0.000 1.041 211 K CA 0.806 57.101 56.287 0.013 0.000 0.969 211 K CB -0.059 32.448 32.500 0.011 0.000 0.799 211 K HN -0.065 nan 8.250 nan 0.000 0.456 212 K N 0.183 120.370 120.400 -0.355 0.000 2.157 212 K HA 0.055 4.375 4.320 0.000 0.000 0.207 212 K C 0.613 177.004 176.600 -0.347 0.000 1.030 212 K CA 0.340 56.348 56.287 -0.464 0.000 0.965 212 K CB 0.118 32.095 32.500 -0.872 0.000 0.877 212 K HN -0.039 nan 8.250 nan 0.000 0.460 213 N N 1.178 119.633 118.700 -0.409 0.000 2.569 213 N HA 0.072 4.812 4.740 0.000 0.000 0.254 213 N C 0.275 175.784 175.510 -0.001 0.000 1.004 213 N CA -0.026 52.959 53.050 -0.109 0.000 0.904 213 N CB 1.484 40.020 38.487 0.082 0.000 1.165 213 N HN -0.097 nan 8.380 nan 0.000 0.513 214 R N 3.320 123.769 120.500 -0.085 0.000 2.127 214 R HA 0.051 4.391 4.340 0.000 0.000 0.238 214 R C 0.977 177.207 176.300 -0.117 0.000 1.134 214 R CA 1.675 57.684 56.100 -0.152 0.000 0.975 214 R CB -0.042 30.077 30.300 -0.302 0.000 0.865 214 R HN 0.558 nan 8.270 nan 0.000 0.447 215 M N -0.441 119.132 119.600 -0.044 0.000 2.581 215 M HA 0.080 4.560 4.480 0.000 0.000 0.224 215 M C -0.222 176.152 176.300 0.122 0.000 1.171 215 M CA -0.538 54.770 55.300 0.013 0.000 0.993 215 M CB -1.033 31.604 32.600 0.061 0.000 1.685 215 M HN 0.164 nan 8.290 nan 0.000 0.479 216 W N 1.413 122.736 121.300 0.038 0.000 2.218 216 W HA 0.107 4.767 4.660 0.000 0.000 0.326 216 W C 0.973 177.544 176.519 0.086 0.000 1.276 216 W CA 0.105 57.530 57.345 0.134 0.000 1.210 216 W CB 0.966 30.610 29.460 0.306 0.000 1.143 216 W HN 0.288 nan 8.180 nan 0.000 0.563 217 R N 2.443 122.607 120.500 -0.561 0.000 2.164 217 R HA 0.095 4.435 4.340 0.000 0.000 0.198 217 R C 0.427 176.664 176.300 -0.105 0.000 1.028 217 R CA 0.522 56.455 56.100 -0.278 0.000 1.083 217 R CB 0.285 30.404 30.300 -0.303 0.000 1.026 217 R HN 0.312 nan 8.270 nan 0.000 0.514 218 K N 0.598 120.751 120.400 -0.412 0.000 2.419 218 K HA 0.196 4.517 4.320 0.000 0.000 0.246 218 K C -0.044 176.786 176.600 0.384 0.000 1.037 218 K CA -1.009 55.298 56.287 0.034 0.000 0.982 218 K CB 0.161 32.652 32.500 -0.016 0.000 1.283 218 K HN -0.103 nan 8.250 nan 0.000 0.500 219 N N 1.130 120.013 118.700 0.306 0.000 2.081 219 N HA -0.145 4.595 4.740 0.000 0.000 0.206 219 N C -0.039 175.665 175.510 0.322 0.000 1.364 219 N CA 0.763 53.979 53.050 0.278 0.000 0.867 219 N CB 0.333 38.918 38.487 0.164 0.000 1.019 219 N HN 0.378 nan 8.380 nan 0.000 0.430 220 R N -0.218 120.331 120.500 0.083 0.000 2.668 220 R HA 0.198 4.538 4.340 0.000 0.000 0.435 220 R C -0.326 175.684 176.300 -0.483 0.000 1.059 220 R CA -0.312 55.714 56.100 -0.123 0.000 1.073 220 R CB 0.041 30.252 30.300 -0.149 0.000 1.401 220 R HN 0.285 nan 8.270 nan 0.000 0.590 221 S N 1.225 116.591 115.700 -0.556 0.000 2.563 221 S HA 0.222 4.692 4.470 0.000 0.000 0.284 221 S C -0.670 173.530 174.600 -0.667 0.000 1.331 221 S CA 0.425 57.988 58.200 -1.061 0.000 1.047 221 S CB 0.237 63.249 63.200 -0.313 0.000 0.859 221 S HN 0.278 nan 8.310 nan 0.000 0.514 222 F N 3.009 122.281 119.950 -1.130 0.000 2.608 222 F HA 0.632 5.160 4.527 0.000 0.000 0.309 222 F C -1.741 173.672 175.800 -0.644 0.000 1.103 222 F CA -1.003 56.676 58.000 -0.535 0.000 0.954 222 F CB 1.075 39.917 39.000 -0.264 0.000 1.267 222 F HN 0.583 nan 8.300 nan 0.000 0.444 223 Y N 2.593 122.478 120.300 -0.692 0.000 2.615 223 Y HA 0.590 5.141 4.550 0.000 0.000 0.341 223 Y C 0.904 176.405 175.900 -0.666 0.000 1.089 223 Y CA -0.599 57.229 58.100 -0.453 0.000 1.049 223 Y CB 1.082 39.445 38.460 -0.161 0.000 1.296 223 Y HN 0.782 nan 8.280 nan 0.000 0.470 224 A N 1.551 124.278 122.820 -0.155 0.000 1.900 224 A HA -0.375 3.946 4.320 0.000 0.000 0.250 224 A C 0.672 178.131 177.584 -0.208 0.000 2.132 224 A CA 3.028 54.980 52.037 -0.141 0.000 0.861 224 A CB -1.055 17.928 19.000 -0.028 0.000 0.830 224 A HN 0.896 nan 8.150 nan 0.000 0.499 225 N N -0.026 118.590 118.700 -0.141 0.000 2.553 225 N HA 0.240 4.981 4.740 0.000 0.000 0.298 225 N C -1.308 174.147 175.510 -0.091 0.000 1.596 225 N CA -0.115 52.861 53.050 -0.123 0.000 0.910 225 N CB 0.459 38.913 38.487 -0.054 0.000 1.336 225 N HN 0.639 nan 8.380 nan 0.000 0.497 226 N N -0.512 118.118 118.700 -0.116 0.000 2.361 226 N HA 0.210 4.950 4.740 0.000 0.000 0.302 226 N C 0.021 175.560 175.510 0.048 0.000 1.074 226 N CA -0.566 52.483 53.050 -0.001 0.000 0.850 226 N CB 0.694 39.152 38.487 -0.047 0.000 1.228 226 N HN 0.077 nan 8.380 nan 0.000 0.491 227 H N -0.942 118.155 119.070 0.045 0.000 2.563 227 H HA 0.254 4.810 4.556 0.000 0.000 0.272 227 H C -0.218 175.225 175.328 0.192 0.000 1.005 227 H CA 0.074 56.196 56.048 0.123 0.000 1.171 227 H CB 0.054 29.853 29.762 0.061 0.000 1.351 227 H HN 0.452 nan 8.280 nan 0.000 0.602 228 c N -0.235 118.546 118.600 0.302 0.000 3.171 228 c HA 0.486 5.056 4.570 0.000 0.000 0.308 228 c C -0.042 174.248 174.090 0.334 0.000 1.334 228 c CA -1.176 55.305 56.329 0.254 0.000 1.473 228 c CB 1.698 44.288 42.510 0.134 0.000 1.866 228 c HN 0.209 nan 8.230 nan 0.000 0.465 229 I N 2.387 123.125 120.570 0.281 0.000 2.359 229 I HA 0.639 4.810 4.170 0.000 0.000 0.294 229 I C 0.580 176.924 176.117 0.379 0.000 0.987 229 I CA 0.800 62.261 61.300 0.268 0.000 1.225 229 I CB 1.078 39.093 38.000 0.024 0.000 1.366 229 I HN 1.016 nan 8.210 nan 0.000 0.466 230 G N 3.552 112.537 108.800 0.308 0.000 2.617 230 G HA2 -0.036 3.925 3.960 0.000 0.000 0.686 230 G HA3 -0.036 3.925 3.960 0.000 0.000 0.686 230 G C -0.815 174.307 174.900 0.369 0.000 1.214 230 G CA -1.030 44.272 45.100 0.336 0.000 0.796 230 G HN 0.560 nan 8.290 nan 0.000 0.654 231 T N 1.294 116.007 114.554 0.266 0.000 2.928 231 T HA 0.447 4.797 4.350 0.000 0.000 0.296 231 T C -0.626 174.146 174.700 0.119 0.000 1.000 231 T CA -0.442 61.770 62.100 0.186 0.000 0.989 231 T CB 1.759 70.665 68.868 0.064 0.000 1.005 231 T HN 0.781 nan 8.240 nan 0.000 0.442 232 D N 3.509 123.973 120.400 0.107 0.000 2.346 232 D HA 0.052 4.692 4.640 0.000 0.000 0.267 232 D C 1.238 177.631 176.300 0.154 0.000 1.320 232 D CA -0.143 53.952 54.000 0.159 0.000 0.951 232 D CB 0.471 41.369 40.800 0.163 0.000 1.079 232 D HN 0.480 nan 8.370 nan 0.000 0.509 233 L N 3.368 124.675 121.223 0.141 0.000 2.191 233 L HA -0.139 4.201 4.340 0.000 0.000 0.212 233 L C 1.647 178.666 176.870 0.249 0.000 1.103 233 L CA 0.525 55.433 54.840 0.114 0.000 0.769 233 L CB -0.374 41.737 42.059 0.086 0.000 0.908 233 L HN 0.307 nan 8.230 nan 0.000 0.438 234 N N 0.280 119.145 118.700 0.275 0.000 2.485 234 N HA -0.053 4.688 4.740 0.000 0.000 0.199 234 N C 0.848 176.552 175.510 0.323 0.000 1.236 234 N CA 0.349 53.619 53.050 0.367 0.000 0.852 234 N CB 0.168 38.872 38.487 0.362 0.000 1.018 234 N HN 0.114 nan 8.380 nan 0.000 0.457 235 R N -1.138 119.523 120.500 0.267 0.000 2.566 235 R HA 0.215 4.555 4.340 0.000 0.000 0.388 235 R C 0.445 176.897 176.300 0.253 0.000 0.989 235 R CA -0.098 56.117 56.100 0.192 0.000 1.164 235 R CB -0.290 30.047 30.300 0.063 0.000 1.459 235 R HN 0.265 nan 8.270 nan 0.000 0.553 236 N N -0.052 118.811 118.700 0.271 0.000 2.273 236 N HA 0.098 4.838 4.740 0.000 0.000 0.192 236 N C -0.133 175.392 175.510 0.025 0.000 1.132 236 N CA -0.064 53.101 53.050 0.191 0.000 0.887 236 N CB 0.478 38.930 38.487 -0.057 0.000 1.048 236 N HN -0.107 nan 8.380 nan 0.000 0.490 237 F N 1.508 121.457 119.950 -0.003 0.000 2.539 237 F HA 0.112 4.639 4.527 0.000 0.000 0.340 237 F C 1.346 177.071 175.800 -0.124 0.000 1.185 237 F CA -0.231 57.639 58.000 -0.217 0.000 1.333 237 F CB 0.506 39.399 39.000 -0.179 0.000 1.152 237 F HN -0.049 nan 8.300 nan 0.000 0.602 238 A N 2.010 124.753 122.820 -0.128 0.000 3.168 238 A HA 0.378 4.698 4.320 0.000 0.000 0.260 238 A C 0.334 178.083 177.584 0.276 0.000 1.598 238 A CA -0.179 51.863 52.037 0.009 0.000 1.285 238 A CB -1.191 17.782 19.000 -0.044 0.000 1.149 238 A HN 0.644 nan 8.150 nan 0.000 0.630 239 S N 0.179 116.064 115.700 0.308 0.000 2.632 239 S HA 0.278 4.748 4.470 0.000 0.000 0.267 239 S C 1.122 175.654 174.600 -0.112 0.000 1.276 239 S CA -0.502 57.822 58.200 0.207 0.000 0.998 239 S CB 0.848 64.260 63.200 0.353 0.000 0.953 239 S HN 0.447 nan 8.310 nan 0.000 0.547 240 K N 1.006 121.015 120.400 -0.653 0.000 2.020 240 K HA -0.173 4.147 4.320 0.000 0.000 0.212 240 K C 0.679 176.958 176.600 -0.534 0.000 1.050 240 K CA 1.944 57.766 56.287 -0.776 0.000 0.929 240 K CB -0.696 30.999 32.500 -1.341 0.000 0.714 240 K HN 0.800 nan 8.250 nan 0.000 0.443 241 H N -1.268 117.628 119.070 -0.290 0.000 2.579 241 H HA 0.067 4.623 4.556 0.000 0.000 0.289 241 H C -0.548 174.812 175.328 0.053 0.000 1.270 241 H CA -1.015 54.995 56.048 -0.064 0.000 1.060 241 H CB -0.497 29.239 29.762 -0.044 0.000 1.554 241 H HN 0.196 nan 8.280 nan 0.000 0.515 242 W N 0.486 121.789 121.300 0.006 0.000 2.377 242 W HA -0.103 4.558 4.660 0.000 0.000 0.341 242 W C 0.758 177.302 176.519 0.042 0.000 1.240 242 W CA 0.215 57.577 57.345 0.028 0.000 1.311 242 W CB 0.356 29.820 29.460 0.006 0.000 1.175 242 W HN 0.512 nan 8.180 nan 0.000 0.571 243 c N 4.128 122.199 118.600 -0.882 0.000 4.185 243 c HA -0.275 4.296 4.570 0.000 0.000 0.297 243 c C 1.078 174.965 174.090 -0.338 0.000 1.463 243 c CA 1.171 56.971 56.329 -0.881 0.000 2.032 243 c CB -2.484 39.034 42.510 -1.654 0.000 1.282 243 c HN 0.831 nan 8.230 nan 0.000 0.770 244 E N -0.314 119.794 120.200 -0.153 0.000 3.388 244 E HA 0.256 4.606 4.350 0.000 0.000 0.271 244 E C 0.177 176.737 176.600 -0.067 0.000 0.808 244 E CA -0.738 55.619 56.400 -0.072 0.000 1.710 244 E CB 0.150 29.841 29.700 -0.014 0.000 1.831 244 E HN 0.592 nan 8.360 nan 0.000 0.541 245 E N -0.266 119.908 120.200 -0.044 0.000 2.558 245 E HA 0.000 4.350 4.350 0.000 0.000 0.255 245 E C 0.281 176.880 176.600 -0.002 0.000 0.968 245 E CA 1.034 57.415 56.400 -0.031 0.000 0.939 245 E CB -0.169 29.514 29.700 -0.029 0.000 0.921 245 E HN 0.673 nan 8.360 nan 0.000 0.477 246 G N 2.267 111.062 108.800 -0.007 0.000 2.253 246 G HA2 -0.144 3.817 3.960 0.000 0.000 0.209 246 G HA3 -0.144 3.817 3.960 0.000 0.000 0.209 246 G C -0.024 174.886 174.900 0.018 0.000 0.997 246 G CA -0.121 45.001 45.100 0.037 0.000 0.640 246 G HN 0.981 nan 8.290 nan 0.000 0.496 247 A N -0.497 122.297 122.820 -0.044 0.000 2.454 247 A HA 0.917 5.237 4.320 0.000 0.000 0.302 247 A C -0.153 177.369 177.584 -0.103 0.000 1.079 247 A CA 0.532 52.518 52.037 -0.085 0.000 0.731 247 A CB 1.819 20.709 19.000 -0.183 0.000 1.299 247 A HN 1.532 nan 8.150 nan 0.000 0.413 248 S N -0.244 115.417 115.700 -0.064 0.000 2.501 248 S HA 0.479 4.949 4.470 0.000 0.000 0.301 248 S C 1.066 175.685 174.600 0.032 0.000 1.096 248 S CA 0.154 58.341 58.200 -0.022 0.000 1.063 248 S CB 1.149 64.356 63.200 0.012 0.000 1.042 248 S HN 1.491 nan 8.310 nan 0.000 0.494 249 S N 2.600 118.317 115.700 0.028 0.000 2.558 249 S HA 0.116 4.586 4.470 0.000 0.000 0.217 249 S C 0.792 175.504 174.600 0.186 0.000 0.975 249 S CA -0.084 58.191 58.200 0.126 0.000 0.912 249 S CB -0.134 63.089 63.200 0.039 0.000 0.776 249 S HN 0.590 nan 8.310 nan 0.000 0.526 250 S N 2.418 118.159 115.700 0.068 0.000 2.481 250 S HA 0.271 4.741 4.470 0.000 0.000 0.276 250 S C 1.288 175.729 174.600 -0.264 0.000 1.247 250 S CA -0.031 58.128 58.200 -0.068 0.000 1.053 250 S CB 0.739 63.906 63.200 -0.054 0.000 0.925 250 S HN 0.541 nan 8.310 nan 0.000 0.491 251 S N 3.592 118.944 115.700 -0.581 0.000 2.507 251 S HA -0.075 4.395 4.470 0.000 0.000 0.235 251 S C 1.434 175.826 174.600 -0.345 0.000 0.988 251 S CA 0.728 58.315 58.200 -1.021 0.000 0.944 251 S CB -0.711 62.021 63.200 -0.780 0.000 0.762 251 S HN 0.783 nan 8.310 nan 0.000 0.526 252 c N 1.894 120.403 118.600 -0.153 0.000 2.697 252 c HA 0.398 4.968 4.570 0.000 0.000 0.267 252 c C 1.603 175.679 174.090 -0.023 0.000 1.278 252 c CA -0.333 55.974 56.329 -0.036 0.000 1.708 252 c CB -1.606 40.896 42.510 -0.013 0.000 1.860 252 c HN 0.700 nan 8.230 nan 0.000 0.589 253 S N 1.105 116.789 115.700 -0.026 0.000 2.576 253 S HA 0.075 4.545 4.470 0.000 0.000 0.276 253 S C 1.149 175.754 174.600 0.008 0.000 1.339 253 S CA 0.026 58.227 58.200 0.001 0.000 1.039 253 S CB 0.576 63.790 63.200 0.023 0.000 0.902 253 S HN 0.417 nan 8.310 nan 0.000 0.516 254 E N 2.070 122.252 120.200 -0.031 0.000 2.347 254 E HA -0.048 4.302 4.350 0.000 0.000 0.196 254 E C 1.430 178.016 176.600 -0.022 0.000 1.008 254 E CA 1.228 57.584 56.400 -0.074 0.000 0.852 254 E CB -0.267 29.381 29.700 -0.087 0.000 0.783 254 E HN 0.863 nan 8.360 nan 0.000 0.505 255 T N -2.186 112.378 114.554 0.017 0.000 3.215 255 T HA 0.045 4.396 4.350 0.000 0.000 0.271 255 T C 0.357 175.101 174.700 0.073 0.000 1.012 255 T CA -0.693 61.429 62.100 0.038 0.000 0.899 255 T CB -0.636 68.239 68.868 0.012 0.000 1.089 255 T HN -0.063 nan 8.240 nan 0.000 0.552 256 Y N 2.557 122.840 120.300 -0.028 0.000 2.881 256 Y HA 0.112 4.663 4.550 0.000 0.000 0.335 256 Y C 1.510 177.405 175.900 -0.009 0.000 1.263 256 Y CA -1.305 56.782 58.100 -0.023 0.000 1.572 256 Y CB 0.206 38.673 38.460 0.011 0.000 1.237 256 Y HN 0.540 nan 8.280 nan 0.000 0.568 257 c N 4.295 122.649 118.600 -0.410 0.000 2.697 257 c HA 0.674 5.245 4.570 0.000 0.000 0.267 257 c C 1.079 174.932 174.090 -0.396 0.000 1.278 257 c CA -0.044 56.044 56.329 -0.401 0.000 1.708 257 c CB -1.510 40.603 42.510 -0.661 0.000 1.860 257 c HN 1.443 nan 8.230 nan 0.000 0.589 258 G N 0.641 108.745 108.800 -1.159 0.000 2.756 258 G HA2 -0.144 3.816 3.960 0.000 0.000 0.678 258 G HA3 -0.144 3.816 3.960 0.000 0.000 0.678 258 G C 0.076 174.760 174.900 -0.360 0.000 1.349 258 G CA -0.208 44.400 45.100 -0.820 0.000 0.847 258 G HN 0.419 nan 8.290 nan 0.000 0.548 259 L N -0.276 120.751 121.223 -0.326 0.000 1.990 259 L HA 0.085 4.425 4.340 0.000 0.000 0.213 259 L C 1.474 178.337 176.870 -0.011 0.000 1.072 259 L CA 2.427 57.139 54.840 -0.213 0.000 0.755 259 L CB -0.622 41.128 42.059 -0.514 0.000 0.889 259 L HN 0.908 nan 8.230 nan 0.000 0.432 260 Y N -5.446 114.775 120.300 -0.132 0.000 2.656 260 Y HA 0.526 5.076 4.550 0.000 0.000 0.334 260 Y C -2.951 172.543 175.900 -0.677 0.000 1.179 260 Y CA -3.208 54.589 58.100 -0.505 0.000 1.050 260 Y CB 0.006 38.241 38.460 -0.375 0.000 1.308 260 Y HN -0.289 nan 8.280 nan 0.000 0.456 261 P HA 0.042 nan 4.420 nan 0.000 0.261 261 P C -0.552 176.555 177.300 -0.322 0.000 1.183 261 P CA 1.307 63.969 63.100 -0.730 0.000 0.761 261 P CB 0.266 31.513 31.700 -0.754 0.000 0.785 262 E N 0.271 120.253 120.200 -0.363 0.000 3.413 262 E HA -0.213 4.137 4.350 0.000 0.000 0.300 262 E C 0.832 177.282 176.600 -0.249 0.000 0.891 262 E CA 0.836 57.047 56.400 -0.316 0.000 1.050 262 E CB -1.947 27.598 29.700 -0.259 0.000 1.534 262 E HN 0.644 nan 8.360 nan 0.000 0.436 263 S N -0.360 115.042 115.700 -0.495 0.000 2.481 263 S HA -0.088 4.382 4.470 0.000 0.000 0.231 263 S C 0.728 175.181 174.600 -0.245 0.000 0.996 263 S CA 0.530 58.299 58.200 -0.718 0.000 0.942 263 S CB 0.182 62.498 63.200 -1.473 0.000 0.768 263 S HN 0.178 nan 8.310 nan 0.000 0.520 264 E N 2.528 122.625 120.200 -0.172 0.000 2.200 264 E HA 0.271 4.621 4.350 0.000 0.000 0.283 264 E C -1.850 174.744 176.600 -0.009 0.000 1.015 264 E CA -2.930 53.458 56.400 -0.020 0.000 0.819 264 E CB 0.836 30.515 29.700 -0.036 0.000 1.081 264 E HN 0.131 nan 8.360 nan 0.000 0.397 265 P HA -0.209 nan 4.420 nan 0.000 0.216 265 P C 0.753 178.063 177.300 0.017 0.000 1.154 265 P CA 1.427 64.564 63.100 0.061 0.000 0.865 265 P CB 0.491 32.257 31.700 0.111 0.000 0.789 266 E N -0.726 119.491 120.200 0.030 0.000 2.106 266 E HA -0.086 4.264 4.350 0.000 0.000 0.192 266 E C 2.101 178.679 176.600 -0.038 0.000 0.984 266 E CA 0.806 57.223 56.400 0.029 0.000 0.806 266 E CB -0.866 28.878 29.700 0.073 0.000 0.750 266 E HN 0.032 nan 8.360 nan 0.000 0.458 267 V N 0.765 120.586 119.914 -0.155 0.000 2.379 267 V HA -0.209 3.911 4.120 0.000 0.000 0.245 267 V C 2.167 178.059 176.094 -0.336 0.000 1.044 267 V CA 1.514 63.572 62.300 -0.403 0.000 1.036 267 V CB -0.320 31.095 31.823 -0.680 0.000 0.664 267 V HN 0.123 nan 8.190 nan 0.000 0.453 268 K N 1.140 121.412 120.400 -0.214 0.000 2.001 268 K HA -0.223 4.097 4.320 0.000 0.000 0.214 268 K C 2.157 178.720 176.600 -0.062 0.000 1.050 268 K CA 2.035 58.243 56.287 -0.132 0.000 0.934 268 K CB -0.895 31.570 32.500 -0.059 0.000 0.718 268 K HN 0.369 nan 8.250 nan 0.000 0.443 269 A N -0.063 122.743 122.820 -0.022 0.000 1.915 269 A HA -0.221 4.100 4.320 0.000 0.000 0.220 269 A C 2.376 180.007 177.584 0.078 0.000 1.198 269 A CA 2.397 54.449 52.037 0.025 0.000 0.647 269 A CB -1.006 17.999 19.000 0.008 0.000 0.825 269 A HN 0.186 nan 8.150 nan 0.000 0.456 270 V N -0.777 119.176 119.914 0.064 0.000 2.346 270 V HA -0.120 4.000 4.120 0.000 0.000 0.244 270 V C 3.037 179.191 176.094 0.100 0.000 1.037 270 V CA 1.807 64.190 62.300 0.139 0.000 1.029 270 V CB -1.136 30.835 31.823 0.247 0.000 0.663 270 V HN 0.641 nan 8.190 nan 0.000 0.454 271 A N -0.382 122.422 122.820 -0.027 0.000 1.898 271 A HA -0.184 4.136 4.320 0.000 0.000 0.216 271 A C 2.480 180.150 177.584 0.144 0.000 1.181 271 A CA 2.145 54.151 52.037 -0.052 0.000 0.620 271 A CB -0.674 18.024 19.000 -0.502 0.000 0.819 271 A HN 0.493 nan 8.150 nan 0.000 0.442 272 S N -0.965 114.780 115.700 0.075 0.000 2.353 272 S HA -0.172 4.298 4.470 0.000 0.000 0.222 272 S C 1.680 176.346 174.600 0.111 0.000 1.035 272 S CA 1.570 59.825 58.200 0.092 0.000 1.025 272 S CB -0.580 62.662 63.200 0.070 0.000 0.902 272 S HN 0.642 nan 8.310 nan 0.000 0.440 273 F N 2.122 122.079 119.950 0.011 0.000 2.120 273 F HA -0.128 4.399 4.527 0.000 0.000 0.300 273 F C 1.786 177.557 175.800 -0.048 0.000 1.095 273 F CA 1.349 59.343 58.000 -0.010 0.000 1.249 273 F CB -0.315 38.693 39.000 0.014 0.000 0.995 273 F HN 0.096 nan 8.300 nan 0.000 0.480 274 L N -0.295 120.940 121.223 0.020 0.000 2.109 274 L HA -0.114 4.226 4.340 0.000 0.000 0.207 274 L C 2.607 179.420 176.870 -0.096 0.000 1.086 274 L CA 1.014 55.801 54.840 -0.087 0.000 0.760 274 L CB -0.617 41.446 42.059 0.006 0.000 0.910 274 L HN -0.012 nan 8.230 nan 0.000 0.437 275 R N -0.162 120.349 120.500 0.019 0.000 2.096 275 R HA -0.184 4.156 4.340 0.000 0.000 0.235 275 R C 2.414 178.661 176.300 -0.089 0.000 1.127 275 R CA 1.362 57.454 56.100 -0.014 0.000 0.968 275 R CB -0.271 30.072 30.300 0.073 0.000 0.861 275 R HN 0.277 nan 8.270 nan 0.000 0.440 276 R N 0.514 120.929 120.500 -0.141 0.000 2.115 276 R HA -0.037 4.303 4.340 0.000 0.000 0.230 276 R C 0.799 176.951 176.300 -0.246 0.000 1.111 276 R CA 1.337 57.327 56.100 -0.185 0.000 0.976 276 R CB 0.137 30.306 30.300 -0.218 0.000 0.870 276 R HN 0.216 nan 8.270 nan 0.000 0.445 277 N N 0.420 118.906 118.700 -0.358 0.000 2.234 277 N HA -0.014 4.726 4.740 0.000 0.000 0.227 277 N C 0.987 176.413 175.510 -0.141 0.000 1.151 277 N CA -0.013 52.857 53.050 -0.300 0.000 0.865 277 N CB 0.619 38.771 38.487 -0.558 0.000 1.066 277 N HN 0.155 nan 8.380 nan 0.000 0.515 278 I N 2.101 122.592 120.570 -0.133 0.000 2.248 278 I HA -0.289 3.881 4.170 0.000 0.000 0.248 278 I C 1.685 177.766 176.117 -0.060 0.000 1.107 278 I CA 1.594 62.834 61.300 -0.099 0.000 1.373 278 I CB -0.131 37.793 38.000 -0.127 0.000 1.055 278 I HN 0.158 nan 8.210 nan 0.000 0.418 279 N N -0.251 118.418 118.700 -0.050 0.000 2.142 279 N HA -0.199 4.541 4.740 0.000 0.000 0.186 279 N C 1.739 177.250 175.510 0.001 0.000 1.023 279 N CA 1.216 54.248 53.050 -0.030 0.000 0.852 279 N CB -0.143 38.328 38.487 -0.026 0.000 0.998 279 N HN 0.426 nan 8.380 nan 0.000 0.424 280 Q N 0.781 120.596 119.800 0.025 0.000 2.137 280 Q HA 0.126 4.466 4.340 0.000 0.000 0.198 280 Q C 0.263 176.330 176.000 0.111 0.000 0.960 280 Q CA 0.394 56.241 55.803 0.073 0.000 0.847 280 Q CB -0.095 28.717 28.738 0.122 0.000 0.915 280 Q HN 0.230 nan 8.270 nan 0.000 0.448 281 I N 1.446 122.095 120.570 0.132 0.000 2.598 281 I HA -0.071 4.099 4.170 0.000 0.000 0.284 281 I C 0.916 177.115 176.117 0.138 0.000 1.140 281 I CA 0.671 62.087 61.300 0.193 0.000 1.420 281 I CB 0.724 38.847 38.000 0.205 0.000 1.387 281 I HN -0.015 nan 8.210 nan 0.000 0.553 282 K N 5.045 125.546 120.400 0.168 0.000 2.450 282 K HA 0.520 4.840 4.320 0.000 0.000 0.206 282 K C -0.259 176.509 176.600 0.281 0.000 1.148 282 K CA 0.097 56.487 56.287 0.172 0.000 1.014 282 K CB 0.979 33.565 32.500 0.143 0.000 0.966 282 K HN 0.578 nan 8.250 nan 0.000 0.566 283 A N 0.637 123.639 122.820 0.303 0.000 2.549 283 A HA 0.620 4.941 4.320 0.000 0.000 0.297 283 A C -2.092 175.766 177.584 0.456 0.000 1.061 283 A CA -0.631 51.645 52.037 0.398 0.000 0.690 283 A CB 1.253 20.479 19.000 0.377 0.000 1.287 283 A HN 0.151 nan 8.150 nan 0.000 0.402 284 Y N 1.585 122.094 120.300 0.348 0.000 2.361 284 Y HA 0.760 5.310 4.550 0.000 0.000 0.337 284 Y C -1.262 174.886 175.900 0.414 0.000 0.965 284 Y CA -0.822 57.519 58.100 0.403 0.000 1.091 284 Y CB 1.340 39.956 38.460 0.261 0.000 1.182 284 Y HN 0.575 nan 8.280 nan 0.000 0.450 285 I N 5.568 126.098 120.570 -0.067 0.000 2.478 285 I HA 0.305 4.475 4.170 0.000 0.000 0.287 285 I C -0.856 175.128 176.117 -0.222 0.000 1.042 285 I CA -0.773 60.521 61.300 -0.010 0.000 1.067 285 I CB 2.041 40.081 38.000 0.066 0.000 1.233 285 I HN 0.595 nan 8.210 nan 0.000 0.431 286 S N 7.953 123.606 115.700 -0.079 0.000 2.530 286 S HA 0.591 5.061 4.470 0.000 0.000 0.322 286 S C -0.347 174.287 174.600 0.056 0.000 1.085 286 S CA -0.814 57.375 58.200 -0.017 0.000 1.096 286 S CB 0.708 64.041 63.200 0.223 0.000 0.988 286 S HN 0.415 nan 8.310 nan 0.000 0.466 287 M N 5.152 124.699 119.600 -0.090 0.000 2.249 287 M HA 0.491 4.971 4.480 0.000 0.000 0.351 287 M C 0.134 176.310 176.300 -0.206 0.000 1.180 287 M CA 0.093 55.350 55.300 -0.072 0.000 1.127 287 M CB 0.477 33.049 32.600 -0.047 0.000 1.546 287 M HN 0.742 nan 8.290 nan 0.000 0.461 288 H N -0.282 118.871 119.070 0.138 0.000 2.928 288 H HA 0.667 5.224 4.556 0.000 0.000 0.285 288 H C -0.871 174.575 175.328 0.197 0.000 1.438 288 H CA -0.521 55.644 56.048 0.195 0.000 1.176 288 H CB 1.969 31.852 29.762 0.203 0.000 1.864 288 H HN 0.735 nan 8.280 nan 0.000 0.567 289 S N -0.348 115.591 115.700 0.398 0.000 2.611 289 S HA 0.555 5.025 4.470 0.000 0.000 0.268 289 S C -1.519 173.259 174.600 0.296 0.000 1.156 289 S CA -0.896 57.499 58.200 0.326 0.000 0.817 289 S CB 1.825 65.238 63.200 0.356 0.000 1.122 289 S HN 0.638 nan 8.310 nan 0.000 0.466 290 Y N -1.274 119.102 120.300 0.127 0.000 2.730 290 Y HA 0.903 5.453 4.550 0.000 0.000 0.325 290 Y C 1.172 177.073 175.900 0.002 0.000 1.132 290 Y CA -0.463 57.638 58.100 0.003 0.000 1.206 290 Y CB 1.114 39.485 38.460 -0.149 0.000 1.390 290 Y HN 1.407 nan 8.280 nan 0.000 0.555 291 S N -1.340 114.501 115.700 0.235 0.000 1.626 291 S HA -0.225 4.246 4.470 0.000 0.000 0.244 291 S C -0.460 173.968 174.600 -0.286 0.000 1.133 291 S CA 0.471 58.721 58.200 0.084 0.000 1.078 291 S CB -1.943 61.318 63.200 0.103 0.000 1.308 291 S HN 0.996 nan 8.310 nan 0.000 0.557 292 Q N 1.610 121.183 119.800 -0.379 0.000 2.451 292 Q HA -0.144 4.197 4.340 0.000 0.000 0.334 292 Q C -0.788 174.804 176.000 -0.681 0.000 1.462 292 Q CA 1.311 56.567 55.803 -0.913 0.000 0.876 292 Q CB -1.719 26.321 28.738 -1.164 0.000 1.125 292 Q HN 0.793 nan 8.270 nan 0.000 0.358 293 H N 0.123 119.219 119.070 0.044 0.000 2.768 293 H HA 0.543 5.099 4.556 0.000 0.000 0.371 293 H C -0.120 175.376 175.328 0.280 0.000 1.151 293 H CA -0.910 55.246 56.048 0.180 0.000 1.165 293 H CB 1.395 31.200 29.762 0.071 0.000 1.722 293 H HN 0.208 nan 8.280 nan 0.000 0.543 294 I N 3.223 124.046 120.570 0.422 0.000 2.354 294 I HA 0.200 4.371 4.170 0.000 0.000 0.286 294 I C 0.443 176.788 176.117 0.381 0.000 1.007 294 I CA -0.819 60.690 61.300 0.349 0.000 1.167 294 I CB 1.222 39.366 38.000 0.241 0.000 1.320 294 I HN 0.210 nan 8.210 nan 0.000 0.458 295 V N 4.171 124.256 119.914 0.286 0.000 3.096 295 V HA 0.784 4.905 4.120 0.000 0.000 0.319 295 V C -0.640 175.588 176.094 0.223 0.000 1.103 295 V CA -0.714 61.637 62.300 0.084 0.000 1.016 295 V CB 1.910 33.660 31.823 -0.122 0.000 1.090 295 V HN 0.672 nan 8.190 nan 0.000 0.449 296 F N -2.337 117.618 119.950 0.009 0.000 2.741 296 F HA 0.932 5.459 4.527 0.001 0.000 0.313 296 F C -3.187 172.449 175.800 -0.273 0.000 1.153 296 F CA -2.681 55.211 58.000 -0.180 0.000 0.931 296 F CB 0.720 39.531 39.000 -0.316 0.000 1.335 296 F HN 0.359 nan 8.300 nan 0.000 0.460 297 P HA 0.013 nan 4.420 nan 0.000 0.270 297 P C -1.565 175.419 177.300 -0.527 0.000 1.216 297 P CA 0.865 63.678 63.100 -0.477 0.000 0.788 297 P CB -0.075 31.036 31.700 -0.983 0.000 0.883 298 Y N -1.094 118.936 120.300 -0.450 0.000 2.846 298 Y HA -0.167 4.384 4.550 0.000 0.000 0.116 298 Y C 1.140 176.831 175.900 -0.348 0.000 1.850 298 Y CA 0.353 58.147 58.100 -0.510 0.000 1.087 298 Y CB -2.956 35.199 38.460 -0.509 0.000 1.717 298 Y HN 0.250 nan 8.280 nan 0.000 0.317 299 S N -0.131 115.494 115.700 -0.126 0.000 2.492 299 S HA -0.023 4.447 4.470 0.000 0.000 0.218 299 S C 1.440 176.058 174.600 0.029 0.000 1.016 299 S CA 0.402 58.553 58.200 -0.082 0.000 0.916 299 S CB -0.100 63.048 63.200 -0.087 0.000 0.791 299 S HN 0.785 nan 8.310 nan 0.000 0.513 300 Y N 2.853 123.218 120.300 0.107 0.000 2.561 300 Y HA 0.249 4.799 4.550 0.000 0.000 0.291 300 Y C 0.890 176.860 175.900 0.116 0.000 1.141 300 Y CA 0.548 58.715 58.100 0.113 0.000 1.303 300 Y CB -0.479 38.050 38.460 0.115 0.000 1.015 300 Y HN 0.223 nan 8.280 nan 0.000 0.547 301 T N -2.868 111.734 114.554 0.080 0.000 2.816 301 T HA 0.425 4.775 4.350 0.000 0.000 0.299 301 T C 0.396 175.098 174.700 0.003 0.000 1.230 301 T CA -1.125 61.024 62.100 0.083 0.000 1.007 301 T CB 1.991 70.912 68.868 0.089 0.000 1.289 301 T HN 0.109 nan 8.240 nan 0.000 0.508 302 R N 0.704 121.206 120.500 0.002 0.000 2.153 302 R HA 0.142 4.483 4.340 0.000 0.000 0.218 302 R C 1.063 177.347 176.300 -0.026 0.000 1.072 302 R CA 0.563 56.651 56.100 -0.020 0.000 0.990 302 R CB -0.671 29.617 30.300 -0.019 0.000 0.889 302 R HN 0.806 nan 8.270 nan 0.000 0.452 303 S N 1.702 117.393 115.700 -0.015 0.000 2.585 303 S HA 0.197 4.667 4.470 0.000 0.000 0.273 303 S C 0.094 174.705 174.600 0.018 0.000 1.339 303 S CA -0.594 57.598 58.200 -0.014 0.000 1.028 303 S CB 1.267 64.466 63.200 -0.001 0.000 0.906 303 S HN 0.022 nan 8.310 nan 0.000 0.528 304 K N 1.646 122.031 120.400 -0.025 0.000 2.295 304 K HA 0.219 4.539 4.320 0.000 0.000 0.270 304 K C 0.627 177.329 176.600 0.171 0.000 1.011 304 K CA -0.267 56.006 56.287 -0.024 0.000 0.953 304 K CB 0.347 32.704 32.500 -0.238 0.000 0.956 304 K HN 0.790 nan 8.250 nan 0.000 0.477 305 S N 1.206 116.993 115.700 0.144 0.000 2.580 305 S HA 0.004 4.475 4.470 0.000 0.000 0.266 305 S C 0.986 175.662 174.600 0.128 0.000 1.354 305 S CA -0.562 57.638 58.200 -0.000 0.000 1.008 305 S CB 0.994 63.864 63.200 -0.551 0.000 0.898 305 S HN 0.668 nan 8.310 nan 0.000 0.555 306 K N 0.183 120.696 120.400 0.188 0.000 2.365 306 K HA -0.037 4.283 4.320 0.000 0.000 0.199 306 K C 0.364 177.038 176.600 0.123 0.000 1.045 306 K CA 1.259 57.635 56.287 0.148 0.000 0.962 306 K CB -0.115 32.459 32.500 0.123 0.000 0.759 306 K HN 0.637 nan 8.250 nan 0.000 0.469 307 D N -1.004 119.472 120.400 0.128 0.000 2.388 307 D HA -0.037 4.603 4.640 0.000 0.000 0.221 307 D C 0.799 177.093 176.300 -0.009 0.000 1.133 307 D CA 0.083 54.117 54.000 0.058 0.000 0.831 307 D CB 0.169 41.003 40.800 0.057 0.000 0.962 307 D HN 0.381 nan 8.370 nan 0.000 0.502 308 H N 1.826 120.873 119.070 -0.037 0.000 2.353 308 H HA -0.140 4.417 4.556 0.000 0.000 0.298 308 H C 1.812 177.131 175.328 -0.014 0.000 1.103 308 H CA 1.915 57.965 56.048 0.004 0.000 1.293 308 H CB 0.446 30.265 29.762 0.095 0.000 1.372 308 H HN 0.107 nan 8.280 nan 0.000 0.501 309 E N -0.012 120.228 120.200 0.067 0.000 2.015 309 E HA -0.200 4.150 4.350 0.000 0.000 0.191 309 E C 2.306 178.861 176.600 -0.074 0.000 0.991 309 E CA 1.051 57.463 56.400 0.019 0.000 0.802 309 E CB -0.105 29.649 29.700 0.091 0.000 0.759 309 E HN 0.606 nan 8.360 nan 0.000 0.447 310 E N 0.682 120.860 120.200 -0.037 0.000 2.070 310 E HA -0.233 4.117 4.350 0.000 0.000 0.197 310 E C 2.281 178.815 176.600 -0.110 0.000 1.004 310 E CA 1.030 57.424 56.400 -0.010 0.000 0.805 310 E CB -0.069 29.684 29.700 0.089 0.000 0.744 310 E HN 0.197 nan 8.360 nan 0.000 0.451 311 L N 0.169 121.234 121.223 -0.264 0.000 2.046 311 L HA -0.187 4.153 4.340 0.000 0.000 0.208 311 L C 2.742 179.206 176.870 -0.677 0.000 1.077 311 L CA 0.990 55.523 54.840 -0.511 0.000 0.747 311 L CB -0.432 41.020 42.059 -1.013 0.000 0.896 311 L HN 0.100 nan 8.230 nan 0.000 0.432 312 S N 0.052 115.334 115.700 -0.697 0.000 2.383 312 S HA -0.211 4.260 4.470 0.000 0.000 0.229 312 S C 1.875 176.444 174.600 -0.053 0.000 1.030 312 S CA 1.528 59.651 58.200 -0.129 0.000 1.002 312 S CB -0.281 62.922 63.200 0.005 0.000 0.829 312 S HN 0.323 nan 8.310 nan 0.000 0.467 313 L N 1.048 122.202 121.223 -0.114 0.000 2.005 313 L HA -0.051 4.290 4.340 0.000 0.000 0.207 313 L C 2.185 178.928 176.870 -0.212 0.000 1.072 313 L CA 1.332 56.105 54.840 -0.111 0.000 0.744 313 L CB -0.496 41.527 42.059 -0.061 0.000 0.895 313 L HN 0.094 nan 8.230 nan 0.000 0.433 314 V N 0.539 120.289 119.914 -0.272 0.000 2.282 314 V HA -0.385 3.735 4.120 0.000 0.000 0.249 314 V C 2.837 178.710 176.094 -0.369 0.000 1.057 314 V CA 1.990 64.050 62.300 -0.400 0.000 1.032 314 V CB -1.235 30.337 31.823 -0.417 0.000 0.645 314 V HN 0.663 nan 8.190 nan 0.000 0.447 315 A N 0.360 123.025 122.820 -0.259 0.000 1.858 315 A HA -0.242 4.078 4.320 0.000 0.000 0.216 315 A C 2.591 179.852 177.584 -0.538 0.000 1.190 315 A CA 2.602 54.487 52.037 -0.252 0.000 0.617 315 A CB -0.999 18.134 19.000 0.222 0.000 0.827 315 A HN 0.711 nan 8.150 nan 0.000 0.443 316 S N -0.267 114.961 115.700 -0.787 0.000 2.370 316 S HA -0.251 4.219 4.470 0.000 0.000 0.226 316 S C 1.792 176.119 174.600 -0.455 0.000 1.033 316 S CA 1.892 59.502 58.200 -0.983 0.000 1.011 316 S CB -0.451 62.400 63.200 -0.582 0.000 0.852 316 S HN 0.496 nan 8.310 nan 0.000 0.457 317 E N 1.673 121.677 120.200 -0.325 0.000 2.150 317 E HA 0.132 4.482 4.350 0.000 0.000 0.193 317 E C 2.189 178.649 176.600 -0.233 0.000 0.985 317 E CA 1.165 57.429 56.400 -0.226 0.000 0.814 317 E CB -0.765 28.825 29.700 -0.184 0.000 0.752 317 E HN 0.671 nan 8.360 nan 0.000 0.466 318 A N -0.158 122.486 122.820 -0.294 0.000 1.877 318 A HA -0.146 4.174 4.320 0.000 0.000 0.216 318 A C 2.441 179.869 177.584 -0.261 0.000 1.186 318 A CA 1.539 53.404 52.037 -0.286 0.000 0.620 318 A CB -0.760 18.028 19.000 -0.353 0.000 0.822 318 A HN 0.166 nan 8.150 nan 0.000 0.443 319 V N 0.207 119.966 119.914 -0.258 0.000 2.287 319 V HA -0.294 3.826 4.120 0.000 0.000 0.248 319 V C 2.639 178.651 176.094 -0.137 0.000 1.053 319 V CA 2.332 64.524 62.300 -0.181 0.000 1.027 319 V CB -0.852 30.912 31.823 -0.099 0.000 0.646 319 V HN 0.639 nan 8.190 nan 0.000 0.447 320 R N -0.004 120.413 120.500 -0.138 0.000 2.117 320 R HA -0.238 4.103 4.340 0.000 0.000 0.243 320 R C 2.265 178.510 176.300 -0.091 0.000 1.143 320 R CA 1.776 57.821 56.100 -0.093 0.000 0.968 320 R CB -0.412 29.831 30.300 -0.094 0.000 0.863 320 R HN 0.537 nan 8.270 nan 0.000 0.444 321 A N 0.880 123.627 122.820 -0.122 0.000 1.877 321 A HA -0.133 4.188 4.320 0.000 0.000 0.216 321 A C 2.134 179.657 177.584 -0.101 0.000 1.186 321 A CA 1.319 53.291 52.037 -0.108 0.000 0.620 321 A CB -0.417 18.507 19.000 -0.128 0.000 0.822 321 A HN 0.332 nan 8.150 nan 0.000 0.443 322 I N -0.834 119.646 120.570 -0.150 0.000 2.286 322 I HA -0.230 3.940 4.170 0.000 0.000 0.248 322 I C 2.440 178.514 176.117 -0.071 0.000 1.115 322 I CA 1.601 62.803 61.300 -0.165 0.000 1.392 322 I CB -0.322 37.467 38.000 -0.352 0.000 1.065 322 I HN 0.305 nan 8.210 nan 0.000 0.418 323 E N 0.787 120.960 120.200 -0.045 0.000 2.204 323 E HA -0.193 4.158 4.350 0.000 0.000 0.194 323 E C 2.072 178.671 176.600 -0.003 0.000 0.989 323 E CA 1.084 57.484 56.400 -0.000 0.000 0.824 323 E CB 0.097 29.802 29.700 0.008 0.000 0.756 323 E HN 0.300 nan 8.360 nan 0.000 0.477 324 K N -0.332 120.056 120.400 -0.020 0.000 2.076 324 K HA 0.057 4.378 4.320 0.000 0.000 0.204 324 K C 1.962 178.559 176.600 -0.006 0.000 1.051 324 K CA 0.686 56.965 56.287 -0.014 0.000 0.949 324 K CB 0.041 32.526 32.500 -0.025 0.000 0.726 324 K HN 0.078 nan 8.250 nan 0.000 0.443 325 I N 0.744 121.308 120.570 -0.010 0.000 2.202 325 I HA -0.180 3.991 4.170 0.000 0.000 0.242 325 I C 0.382 176.505 176.117 0.011 0.000 1.091 325 I CA 0.838 62.139 61.300 0.003 0.000 1.368 325 I CB 0.163 38.165 38.000 0.003 0.000 1.058 325 I HN 0.071 nan 8.210 nan 0.000 0.410 326 S N 0.673 116.381 115.700 0.013 0.000 2.718 326 S HA 0.529 4.999 4.470 0.000 0.000 0.294 326 S C -0.334 174.290 174.600 0.040 0.000 1.157 326 S CA -0.933 57.286 58.200 0.031 0.000 1.121 326 S CB 1.761 64.987 63.200 0.043 0.000 1.015 326 S HN 0.331 nan 8.310 nan 0.000 0.479 327 K N 2.044 122.465 120.400 0.035 0.000 2.768 327 K HA -0.189 4.132 4.320 0.000 0.000 0.347 327 K C -0.754 175.870 176.600 0.040 0.000 1.714 327 K CA 0.826 57.137 56.287 0.040 0.000 0.617 327 K CB -1.169 31.363 32.500 0.053 0.000 0.986 327 K HN 0.612 nan 8.250 nan 0.000 0.668 328 N N 0.804 119.531 118.700 0.045 0.000 2.610 328 N HA 0.236 4.976 4.740 0.000 0.000 0.309 328 N C -1.016 174.525 175.510 0.051 0.000 1.536 328 N CA -0.125 52.951 53.050 0.043 0.000 0.954 328 N CB 0.252 38.759 38.487 0.035 0.000 1.310 328 N HN 0.205 nan 8.380 nan 0.000 0.502 329 I N 1.172 121.784 120.570 0.070 0.000 2.371 329 I HA 0.192 4.362 4.170 0.000 0.000 0.290 329 I C 0.639 176.827 176.117 0.118 0.000 1.028 329 I CA -0.560 60.795 61.300 0.093 0.000 1.345 329 I CB 0.614 38.699 38.000 0.142 0.000 1.407 329 I HN -0.117 nan 8.210 nan 0.000 0.501 330 R N 5.540 126.090 120.500 0.083 0.000 2.343 330 R HA 0.450 4.790 4.340 0.000 0.000 0.320 330 R C -1.251 175.111 176.300 0.104 0.000 0.956 330 R CA -0.391 55.770 56.100 0.101 0.000 0.836 330 R CB 0.933 31.260 30.300 0.045 0.000 1.151 330 R HN 0.383 nan 8.270 nan 0.000 0.450 331 Y N 0.862 121.157 120.300 -0.008 0.000 2.453 331 Y HA 0.475 5.025 4.550 0.001 0.000 0.326 331 Y C 0.744 176.678 175.900 0.057 0.000 1.186 331 Y CA -0.437 57.652 58.100 -0.018 0.000 1.200 331 Y CB 2.206 40.663 38.460 -0.005 0.000 1.247 331 Y HN 0.558 nan 8.280 nan 0.000 0.482 332 T N -0.818 113.854 114.554 0.196 0.000 2.916 332 T HA 0.688 5.038 4.350 0.000 0.000 0.292 332 T C -1.404 173.578 174.700 0.470 0.000 1.064 332 T CA -0.851 61.432 62.100 0.305 0.000 1.011 332 T CB 1.836 70.813 68.868 0.182 0.000 1.152 332 T HN 0.564 nan 8.240 nan 0.000 0.510 333 Y N -1.783 118.647 120.300 0.217 0.000 2.625 333 Y HA 0.905 5.455 4.550 0.001 0.000 0.338 333 Y C -0.197 175.770 175.900 0.112 0.000 1.123 333 Y CA -0.879 57.340 58.100 0.199 0.000 1.046 333 Y CB 1.282 39.876 38.460 0.224 0.000 1.299 333 Y HN 1.299 nan 8.280 nan 0.000 0.464 334 G N 0.491 109.302 108.800 0.019 0.000 2.359 334 G HA2 0.193 4.153 3.960 0.000 0.000 0.293 334 G HA3 0.193 4.153 3.960 0.000 0.000 0.293 334 G C -1.971 172.372 174.900 -0.928 0.000 1.300 334 G CA -0.995 43.918 45.100 -0.312 0.000 0.888 334 G HN 0.942 nan 8.290 nan 0.000 0.541 335 Q N 0.252 119.504 119.800 -0.914 0.000 2.286 335 Q HA 0.376 4.716 4.340 0.000 0.000 0.290 335 Q C 1.736 177.438 176.000 -0.496 0.000 1.049 335 Q CA 0.992 56.310 55.803 -0.808 0.000 0.923 335 Q CB 0.650 29.231 28.738 -0.262 0.000 1.183 335 Q HN 1.135 nan 8.270 nan 0.000 0.383 336 G N 2.544 111.078 108.800 -0.444 0.000 2.599 336 G HA2 -0.418 3.543 3.960 0.000 0.000 0.219 336 G HA3 -0.418 3.543 3.960 0.000 0.000 0.219 336 G C 1.373 176.096 174.900 -0.294 0.000 1.193 336 G CA 1.261 46.161 45.100 -0.333 0.000 0.778 336 G HN 0.822 nan 8.290 nan 0.000 0.589 337 S N 0.147 115.722 115.700 -0.207 0.000 2.383 337 S HA -0.087 4.383 4.470 0.000 0.000 0.229 337 S C 2.027 176.552 174.600 -0.124 0.000 1.030 337 S CA 1.830 59.951 58.200 -0.133 0.000 1.002 337 S CB -0.284 62.873 63.200 -0.071 0.000 0.829 337 S HN 0.611 nan 8.310 nan 0.000 0.467 338 E N 0.466 120.575 120.200 -0.152 0.000 2.051 338 E HA -0.022 4.328 4.350 0.000 0.000 0.189 338 E C 1.978 178.489 176.600 -0.148 0.000 0.979 338 E CA 1.442 57.766 56.400 -0.125 0.000 0.803 338 E CB -0.026 29.602 29.700 -0.119 0.000 0.761 338 E HN 0.578 nan 8.360 nan 0.000 0.451 339 T N 0.518 114.937 114.554 -0.225 0.000 2.953 339 T HA 0.089 4.439 4.350 0.000 0.000 0.247 339 T C 1.740 176.237 174.700 -0.338 0.000 1.029 339 T CA 0.333 62.271 62.100 -0.270 0.000 1.144 339 T CB 0.093 68.767 68.868 -0.324 0.000 0.870 339 T HN -0.043 nan 8.240 nan 0.000 0.446 340 L N -0.666 120.315 121.223 -0.403 0.000 2.157 340 L HA 0.311 4.651 4.340 0.000 0.000 0.201 340 L C 0.187 176.890 176.870 -0.279 0.000 1.221 340 L CA 0.404 54.964 54.840 -0.465 0.000 0.915 340 L CB 0.044 41.672 42.059 -0.717 0.000 1.013 340 L HN 0.456 nan 8.230 nan 0.000 0.522 341 Y N -4.717 115.508 120.300 -0.125 0.000 2.932 341 Y HA 0.297 4.847 4.550 0.001 0.000 0.384 341 Y C -1.154 174.708 175.900 -0.063 0.000 1.193 341 Y CA -1.485 56.562 58.100 -0.088 0.000 1.161 341 Y CB 0.052 38.464 38.460 -0.080 0.000 1.500 341 Y HN -0.137 nan 8.280 nan 0.000 0.463 342 L N 2.435 123.791 121.223 0.222 0.000 2.597 342 L HA 0.449 4.789 4.340 0.000 0.000 0.271 342 L C -0.059 176.945 176.870 0.223 0.000 1.157 342 L CA 0.408 55.338 54.840 0.151 0.000 0.928 342 L CB 0.266 42.388 42.059 0.105 0.000 1.216 342 L HN 0.763 nan 8.230 nan 0.000 0.481 343 A N 7.360 130.258 122.820 0.131 0.000 2.569 343 A HA 0.657 4.977 4.320 0.000 0.000 0.282 343 A C -2.552 175.120 177.584 0.147 0.000 1.165 343 A CA -1.157 50.966 52.037 0.143 0.000 0.747 343 A CB 1.058 20.130 19.000 0.120 0.000 1.215 343 A HN 0.369 nan 8.150 nan 0.000 0.431 344 P HA 0.502 nan 4.420 nan 0.000 0.278 344 P C 0.795 178.207 177.300 0.188 0.000 1.266 344 P CA 1.037 64.264 63.100 0.212 0.000 0.807 344 P CB 1.155 32.953 31.700 0.163 0.000 1.094 345 G N -0.952 108.021 108.800 0.289 0.000 2.132 345 G HA2 -0.103 3.857 3.960 0.000 0.000 0.234 345 G HA3 -0.103 3.857 3.960 0.000 0.000 0.234 345 G C 0.422 175.546 174.900 0.374 0.000 0.989 345 G CA -0.193 45.135 45.100 0.381 0.000 0.676 345 G HN 0.877 nan 8.290 nan 0.000 0.522 346 G N -0.719 108.253 108.800 0.286 0.000 2.348 346 G HA2 0.621 4.581 3.960 0.000 0.000 0.312 346 G HA3 0.621 4.581 3.960 0.000 0.000 0.312 346 G C 1.241 176.103 174.900 -0.064 0.000 1.126 346 G CA 0.301 45.499 45.100 0.164 0.000 0.865 346 G HN 1.089 nan 8.290 nan 0.000 0.474 347 G N 2.108 110.447 108.800 -0.768 0.000 2.513 347 G HA2 -0.338 3.622 3.960 0.000 0.000 0.219 347 G HA3 -0.338 3.622 3.960 0.000 0.000 0.219 347 G C 1.497 176.116 174.900 -0.469 0.000 1.160 347 G CA 1.721 46.103 45.100 -1.197 0.000 0.767 347 G HN 0.737 nan 8.290 nan 0.000 0.571 348 D N 1.184 121.457 120.400 -0.212 0.000 2.116 348 D HA -0.151 4.489 4.640 0.000 0.000 0.193 348 D C 1.584 177.859 176.300 -0.042 0.000 0.998 348 D CA 1.741 55.704 54.000 -0.062 0.000 0.836 348 D CB -0.759 40.163 40.800 0.203 0.000 0.951 348 D HN 0.259 nan 8.370 nan 0.000 0.449 349 D N -0.392 120.044 120.400 0.061 0.000 2.103 349 D HA -0.082 4.558 4.640 0.000 0.000 0.199 349 D C 1.738 178.219 176.300 0.302 0.000 0.978 349 D CA 0.664 54.770 54.000 0.177 0.000 0.829 349 D CB -0.847 40.157 40.800 0.340 0.000 0.981 349 D HN 0.393 nan 8.370 nan 0.000 0.464 350 W N 1.950 123.304 121.300 0.089 0.000 2.298 350 W HA -0.209 4.451 4.660 0.000 0.000 0.328 350 W C 2.144 178.668 176.519 0.008 0.000 1.259 350 W CA 1.468 58.856 57.345 0.072 0.000 1.251 350 W CB -0.825 28.662 29.460 0.045 0.000 1.161 350 W HN -0.062 nan 8.180 nan 0.000 0.466 351 I N -0.352 120.020 120.570 -0.330 0.000 2.493 351 I HA -0.291 3.879 4.170 0.000 0.000 0.254 351 I C 2.424 178.301 176.117 -0.400 0.000 1.160 351 I CA 1.577 62.452 61.300 -0.708 0.000 1.445 351 I CB -0.529 37.139 38.000 -0.553 0.000 1.086 351 I HN 0.214 nan 8.210 nan 0.000 0.433 352 Y N 1.664 121.786 120.300 -0.298 0.000 2.145 352 Y HA -0.334 4.216 4.550 0.001 0.000 0.286 352 Y C 2.108 177.893 175.900 -0.193 0.000 1.145 352 Y CA 2.002 59.962 58.100 -0.233 0.000 1.148 352 Y CB -0.292 38.026 38.460 -0.237 0.000 0.981 352 Y HN 0.191 nan 8.280 nan 0.000 0.507 353 D N 0.248 120.705 120.400 0.095 0.000 2.221 353 D HA -0.154 4.487 4.640 0.000 0.000 0.204 353 D C 1.573 177.770 176.300 -0.171 0.000 0.982 353 D CA 1.088 55.128 54.000 0.068 0.000 0.857 353 D CB -0.197 40.723 40.800 0.200 0.000 0.934 353 D HN 0.354 nan 8.370 nan 0.000 0.475 354 L N -1.347 119.673 121.223 -0.339 0.000 2.611 354 L HA 0.308 4.649 4.340 0.000 0.000 0.229 354 L C 1.438 178.101 176.870 -0.345 0.000 1.137 354 L CA 0.698 55.301 54.840 -0.394 0.000 0.901 354 L CB 0.396 42.041 42.059 -0.689 0.000 1.098 354 L HN 0.153 nan 8.230 nan 0.000 0.456 355 G N -1.049 107.534 108.800 -0.361 0.000 2.617 355 G HA2 -0.152 3.808 3.960 0.000 0.000 0.197 355 G HA3 -0.152 3.808 3.960 0.000 0.000 0.197 355 G C 0.149 174.827 174.900 -0.371 0.000 1.017 355 G CA -0.140 44.758 45.100 -0.337 0.000 0.713 355 G HN 0.026 nan 8.290 nan 0.000 0.481 356 I N 2.770 123.142 120.570 -0.330 0.000 2.483 356 I HA 0.200 4.370 4.170 0.000 0.000 0.291 356 I C 1.482 177.416 176.117 -0.305 0.000 1.112 356 I CA 0.331 61.499 61.300 -0.219 0.000 1.350 356 I CB 0.742 38.688 38.000 -0.090 0.000 1.419 356 I HN 0.313 nan 8.210 nan 0.000 0.523 357 K N 5.427 125.588 120.400 -0.398 0.000 2.057 357 K HA -0.117 4.203 4.320 0.000 0.000 0.207 357 K C -0.059 176.319 176.600 -0.370 0.000 1.049 357 K CA 1.371 57.321 56.287 -0.561 0.000 0.931 357 K CB 0.106 32.117 32.500 -0.816 0.000 0.714 357 K HN 0.426 nan 8.250 nan 0.000 0.440 358 Y N 0.580 120.923 120.300 0.072 0.000 2.751 358 Y HA 0.246 4.796 4.550 0.000 0.000 0.333 358 Y C -0.377 175.596 175.900 0.121 0.000 1.122 358 Y CA -0.646 57.527 58.100 0.122 0.000 1.367 358 Y CB 0.936 39.572 38.460 0.294 0.000 1.242 358 Y HN -0.154 nan 8.280 nan 0.000 0.505 359 S N 3.956 119.626 115.700 -0.050 0.000 2.530 359 S HA 0.765 5.235 4.470 0.000 0.000 0.322 359 S C -1.177 173.273 174.600 -0.249 0.000 1.085 359 S CA -0.375 57.868 58.200 0.072 0.000 1.096 359 S CB 0.032 63.294 63.200 0.103 0.000 0.988 359 S HN 0.319 nan 8.310 nan 0.000 0.466 360 F N 1.852 121.995 119.950 0.321 0.000 2.576 360 F HA 0.497 5.024 4.527 0.000 0.000 0.313 360 F C 0.417 176.359 175.800 0.237 0.000 1.078 360 F CA -0.605 57.545 58.000 0.250 0.000 0.921 360 F CB 2.601 41.709 39.000 0.181 0.000 1.232 360 F HN 0.312 nan 8.300 nan 0.000 0.459 361 T N 4.136 118.928 114.554 0.397 0.000 2.786 361 T HA 0.593 4.944 4.350 0.000 0.000 0.283 361 T C -0.403 174.471 174.700 0.289 0.000 0.992 361 T CA -0.379 61.914 62.100 0.322 0.000 0.954 361 T CB 0.550 69.560 68.868 0.236 0.000 0.934 361 T HN 0.282 nan 8.240 nan 0.000 0.440 362 I N 3.027 123.742 120.570 0.243 0.000 2.339 362 I HA 0.301 4.471 4.170 0.000 0.000 0.290 362 I C 0.485 176.743 176.117 0.235 0.000 0.994 362 I CA -0.649 60.769 61.300 0.197 0.000 1.191 362 I CB 1.378 39.410 38.000 0.053 0.000 1.343 362 I HN 0.484 nan 8.210 nan 0.000 0.458 363 E N 6.673 127.029 120.200 0.259 0.000 2.089 363 E HA 0.361 4.711 4.350 0.000 0.000 0.284 363 E C -0.273 176.456 176.600 0.215 0.000 1.023 363 E CA -0.348 56.196 56.400 0.239 0.000 0.819 363 E CB 1.428 31.253 29.700 0.209 0.000 1.076 363 E HN 0.491 nan 8.360 nan 0.000 0.396 364 L N 2.188 123.534 121.223 0.206 0.000 2.859 364 L HA 0.343 4.683 4.340 0.000 0.000 0.181 364 L C 0.912 177.845 176.870 0.105 0.000 1.196 364 L CA -0.566 54.389 54.840 0.193 0.000 1.062 364 L CB 0.202 42.353 42.059 0.154 0.000 1.961 364 L HN 0.343 nan 8.230 nan 0.000 0.507 365 R N 0.429 120.991 120.500 0.104 0.000 2.390 365 R HA 0.242 4.582 4.340 0.000 0.000 0.291 365 R C -1.009 175.298 176.300 0.012 0.000 1.070 365 R CA 0.278 56.385 56.100 0.012 0.000 1.014 365 R CB 0.458 30.777 30.300 0.031 0.000 1.007 365 R HN 0.553 nan 8.270 nan 0.000 0.466 366 D N 0.333 120.693 120.400 -0.067 0.000 3.072 366 D HA -0.092 4.548 4.640 0.000 0.000 0.282 366 D C -0.369 175.849 176.300 -0.137 0.000 1.110 366 D CA -0.151 53.734 54.000 -0.192 0.000 0.723 366 D CB 0.792 41.409 40.800 -0.304 0.000 1.350 366 D HN 0.557 nan 8.370 nan 0.000 0.451 367 T N -0.895 113.573 114.554 -0.143 0.000 3.144 367 T HA 0.488 4.838 4.350 0.000 0.000 0.249 367 T C 1.286 175.985 174.700 -0.001 0.000 1.089 367 T CA 1.219 63.305 62.100 -0.023 0.000 0.989 367 T CB 0.451 69.296 68.868 -0.038 0.000 0.992 367 T HN 0.871 nan 8.240 nan 0.000 0.540 368 G N 0.631 109.223 108.800 -0.346 0.000 2.480 368 G HA2 -0.262 3.698 3.960 0.000 0.000 0.193 368 G HA3 -0.262 3.698 3.960 0.000 0.000 0.193 368 G C 1.041 175.651 174.900 -0.483 0.000 1.004 368 G CA 0.241 45.053 45.100 -0.479 0.000 0.696 368 G HN 0.405 nan 8.290 nan 0.000 0.478 369 T N 0.223 114.555 114.554 -0.370 0.000 2.624 369 T HA -0.198 4.152 4.350 0.000 0.000 0.268 369 T C 1.854 176.233 174.700 -0.535 0.000 1.041 369 T CA 2.269 64.115 62.100 -0.423 0.000 1.159 369 T CB -0.261 68.402 68.868 -0.341 0.000 0.863 369 T HN 0.523 nan 8.240 nan 0.000 0.434 370 Y N 0.176 120.296 120.300 -0.300 0.000 2.607 370 Y HA 0.405 4.955 4.550 0.000 0.000 0.276 370 Y C 2.038 177.793 175.900 -0.241 0.000 1.117 370 Y CA 0.166 58.144 58.100 -0.202 0.000 1.273 370 Y CB -0.066 38.289 38.460 -0.175 0.000 1.282 370 Y HN 0.475 nan 8.280 nan 0.000 0.514 371 G N 0.957 109.483 108.800 -0.458 0.000 2.536 371 G HA2 -0.363 3.597 3.960 0.000 0.000 0.280 371 G HA3 -0.363 3.597 3.960 0.000 0.000 0.280 371 G C 0.553 175.038 174.900 -0.692 0.000 1.152 371 G CA 0.478 44.894 45.100 -1.141 0.000 0.970 371 G HN 0.156 nan 8.290 nan 0.000 0.549 372 F N 1.001 120.537 119.950 -0.691 0.000 2.502 372 F HA 0.316 4.843 4.527 0.000 0.000 0.298 372 F C 2.176 177.726 175.800 -0.417 0.000 1.111 372 F CA 0.816 58.505 58.000 -0.519 0.000 1.445 372 F CB -0.180 38.368 39.000 -0.752 0.000 1.081 372 F HN 0.144 nan 8.300 nan 0.000 0.558 373 L N 1.336 122.484 121.223 -0.125 0.000 3.035 373 L HA 0.178 4.518 4.340 0.000 0.000 0.232 373 L C -0.154 176.702 176.870 -0.023 0.000 1.341 373 L CA -0.576 54.210 54.840 -0.091 0.000 1.177 373 L CB -0.251 41.848 42.059 0.067 0.000 1.555 373 L HN -0.002 nan 8.230 nan 0.000 0.473 374 L N 2.644 123.850 121.223 -0.028 0.000 2.500 374 L HA 0.269 4.609 4.340 0.000 0.000 0.272 374 L C -2.023 174.911 176.870 0.106 0.000 1.149 374 L CA -1.166 53.681 54.840 0.011 0.000 0.897 374 L CB 0.121 42.251 42.059 0.119 0.000 1.178 374 L HN -0.027 nan 8.230 nan 0.000 0.473 375 P HA -0.041 nan 4.420 nan 0.000 0.267 375 P C 0.145 177.549 177.300 0.174 0.000 1.201 375 P CA 0.011 63.129 63.100 0.030 0.000 0.775 375 P CB 0.393 32.006 31.700 -0.145 0.000 0.854 376 E N 3.864 124.148 120.200 0.140 0.000 2.265 376 E HA -0.249 4.101 4.350 0.000 0.000 0.196 376 E C 1.478 178.033 176.600 -0.075 0.000 0.996 376 E CA 0.700 57.092 56.400 -0.013 0.000 0.832 376 E CB -0.374 29.299 29.700 -0.045 0.000 0.756 376 E HN 0.417 nan 8.360 nan 0.000 0.491 377 R N 0.154 120.585 120.500 -0.115 0.000 2.241 377 R HA -0.145 4.195 4.340 0.000 0.000 0.224 377 R C 1.082 177.161 176.300 -0.368 0.000 1.101 377 R CA 1.290 57.245 56.100 -0.242 0.000 0.995 377 R CB -0.597 29.509 30.300 -0.324 0.000 0.870 377 R HN 0.275 nan 8.270 nan 0.000 0.463 378 Y N 1.116 121.382 120.300 -0.056 0.000 2.519 378 Y HA 0.124 4.675 4.550 0.000 0.000 0.287 378 Y C 2.180 178.057 175.900 -0.039 0.000 1.128 378 Y CA 0.317 58.394 58.100 -0.039 0.000 1.282 378 Y CB 0.051 38.486 38.460 -0.041 0.000 1.027 378 Y HN -0.060 nan 8.280 nan 0.000 0.551 379 I N 0.409 120.994 120.570 0.024 0.000 2.151 379 I HA -0.389 3.781 4.170 0.000 0.000 0.243 379 I C 2.557 178.627 176.117 -0.077 0.000 1.080 379 I CA 1.728 63.004 61.300 -0.041 0.000 1.339 379 I CB -0.385 37.526 38.000 -0.148 0.000 1.039 379 I HN 0.202 nan 8.210 nan 0.000 0.409 380 K N 1.230 121.608 120.400 -0.037 0.000 1.985 380 K HA -0.154 4.166 4.320 0.000 0.000 0.210 380 K C -0.520 176.004 176.600 -0.127 0.000 1.047 380 K CA 1.744 58.016 56.287 -0.025 0.000 0.932 380 K CB -0.916 31.639 32.500 0.092 0.000 0.716 380 K HN 0.190 nan 8.250 nan 0.000 0.439 381 P HA -0.066 nan 4.420 nan 0.000 0.219 381 P C 0.983 178.256 177.300 -0.044 0.000 1.150 381 P CA 1.327 64.408 63.100 -0.031 0.000 0.814 381 P CB -0.095 31.625 31.700 0.033 0.000 0.787 382 T N -0.300 114.247 114.554 -0.013 0.000 2.684 382 T HA -0.143 4.207 4.350 0.000 0.000 0.267 382 T C 2.025 176.652 174.700 -0.121 0.000 1.036 382 T CA 1.641 63.742 62.100 0.001 0.000 1.148 382 T CB -1.149 67.758 68.868 0.065 0.000 0.863 382 T HN 0.152 nan 8.240 nan 0.000 0.436 383 C N 0.947 120.062 119.300 -0.308 0.000 2.475 383 C HA 0.109 4.569 4.460 0.000 0.000 0.279 383 C C 2.880 177.443 174.990 -0.712 0.000 1.322 383 C CA 0.010 58.718 59.018 -0.516 0.000 1.734 383 C CB -0.925 26.032 27.740 -1.305 0.000 2.005 383 C HN 0.519 nan 8.230 nan 0.000 0.495 384 R N 1.238 121.296 120.500 -0.737 0.000 2.105 384 R HA -0.173 4.167 4.340 0.000 0.000 0.239 384 R C 2.259 178.519 176.300 -0.065 0.000 1.135 384 R CA 1.888 57.783 56.100 -0.341 0.000 0.967 384 R CB -0.347 29.884 30.300 -0.115 0.000 0.861 384 R HN 0.772 nan 8.270 nan 0.000 0.442 385 E N 0.193 120.333 120.200 -0.100 0.000 2.122 385 E HA -0.038 4.313 4.350 0.000 0.000 0.190 385 E C 1.957 178.467 176.600 -0.150 0.000 0.977 385 E CA 0.815 57.159 56.400 -0.094 0.000 0.820 385 E CB -0.144 29.496 29.700 -0.100 0.000 0.770 385 E HN 0.222 nan 8.360 nan 0.000 0.462 386 A N 1.278 123.987 122.820 -0.185 0.000 1.948 386 A HA -0.182 4.138 4.320 0.000 0.000 0.220 386 A C 2.008 179.544 177.584 -0.080 0.000 1.177 386 A CA 1.500 53.339 52.037 -0.330 0.000 0.636 386 A CB -1.025 17.540 19.000 -0.726 0.000 0.815 386 A HN 0.451 nan 8.150 nan 0.000 0.449 387 F N 0.771 120.811 119.950 0.150 0.000 2.186 387 F HA -0.020 4.508 4.527 0.000 0.000 0.299 387 F C 2.507 178.393 175.800 0.144 0.000 1.090 387 F CA 1.068 59.266 58.000 0.330 0.000 1.307 387 F CB -0.333 38.917 39.000 0.416 0.000 1.019 387 F HN 0.249 nan 8.300 nan 0.000 0.489 388 A N 0.139 123.032 122.820 0.121 0.000 1.978 388 A HA -0.082 4.238 4.320 0.000 0.000 0.220 388 A C 2.351 179.851 177.584 -0.140 0.000 1.170 388 A CA 1.795 53.825 52.037 -0.012 0.000 0.636 388 A CB -1.410 17.583 19.000 -0.012 0.000 0.810 388 A HN 0.479 nan 8.150 nan 0.000 0.448 389 A N -0.839 121.867 122.820 -0.191 0.000 1.874 389 A HA 0.118 4.438 4.320 0.000 0.000 0.214 389 A C 2.164 179.603 177.584 -0.241 0.000 1.189 389 A CA 1.400 53.288 52.037 -0.250 0.000 0.615 389 A CB -0.831 17.981 19.000 -0.313 0.000 0.830 389 A HN 0.350 nan 8.150 nan 0.000 0.443 390 V N 0.471 120.252 119.914 -0.222 0.000 2.490 390 V HA -0.217 3.904 4.120 0.000 0.000 0.250 390 V C 2.738 178.740 176.094 -0.153 0.000 1.061 390 V CA 2.299 64.497 62.300 -0.170 0.000 1.064 390 V CB -0.686 31.071 31.823 -0.109 0.000 0.670 390 V HN 0.560 nan 8.190 nan 0.000 0.461 391 S N -0.579 114.959 115.700 -0.269 0.000 2.383 391 S HA -0.194 4.276 4.470 0.000 0.000 0.227 391 S C 2.015 176.663 174.600 0.079 0.000 1.026 391 S CA 1.356 59.486 58.200 -0.116 0.000 0.981 391 S CB -0.251 62.817 63.200 -0.220 0.000 0.818 391 S HN 0.440 nan 8.310 nan 0.000 0.472 392 K N 1.490 121.866 120.400 -0.041 0.000 2.097 392 K HA 0.114 4.434 4.320 0.000 0.000 0.206 392 K C 1.747 178.322 176.600 -0.041 0.000 1.049 392 K CA 0.941 57.211 56.287 -0.028 0.000 0.933 392 K CB -0.425 31.997 32.500 -0.130 0.000 0.717 392 K HN 0.334 nan 8.250 nan 0.000 0.442 393 I N -0.035 120.448 120.570 -0.145 0.000 2.179 393 I HA -0.294 3.876 4.170 0.000 0.000 0.242 393 I C 2.226 178.306 176.117 -0.062 0.000 1.088 393 I CA 1.312 62.507 61.300 -0.176 0.000 1.357 393 I CB -0.384 37.471 38.000 -0.240 0.000 1.051 393 I HN 0.173 nan 8.210 nan 0.000 0.409 394 A N 0.154 122.954 122.820 -0.033 0.000 1.877 394 A HA -0.231 4.089 4.320 0.000 0.000 0.216 394 A C 1.984 179.458 177.584 -0.182 0.000 1.186 394 A CA 1.500 53.474 52.037 -0.105 0.000 0.620 394 A CB -1.207 17.754 19.000 -0.066 0.000 0.822 394 A HN 0.554 nan 8.150 nan 0.000 0.443 395 W N -1.304 119.975 121.300 -0.035 0.000 2.465 395 W HA -0.044 4.616 4.660 0.000 0.000 0.268 395 W C 2.194 178.676 176.519 -0.062 0.000 1.242 395 W CA 1.234 58.554 57.345 -0.042 0.000 1.248 395 W CB -0.338 29.099 29.460 -0.040 0.000 1.118 395 W HN 0.651 nan 8.180 nan 0.000 0.587 396 H N -0.453 118.628 119.070 0.017 0.000 2.299 396 H HA -0.162 4.394 4.556 0.001 0.000 0.302 396 H C 2.125 177.338 175.328 -0.193 0.000 1.078 396 H CA 2.572 58.558 56.048 -0.104 0.000 1.323 396 H CB -0.389 29.242 29.762 -0.218 0.000 1.381 396 H HN -0.138 nan 8.280 nan 0.000 0.498 397 V N 0.560 120.339 119.914 -0.224 0.000 2.282 397 V HA -0.285 3.835 4.120 0.000 0.000 0.249 397 V C 2.533 178.542 176.094 -0.141 0.000 1.057 397 V CA 2.160 64.322 62.300 -0.231 0.000 1.032 397 V CB -0.581 31.150 31.823 -0.153 0.000 0.645 397 V HN 0.434 nan 8.190 nan 0.000 0.447 398 I N -0.473 120.011 120.570 -0.144 0.000 2.286 398 I HA -0.254 3.916 4.170 0.000 0.000 0.248 398 I C 2.684 178.777 176.117 -0.041 0.000 1.115 398 I CA 1.792 63.021 61.300 -0.119 0.000 1.392 398 I CB -0.372 37.498 38.000 -0.217 0.000 1.065 398 I HN 0.211 nan 8.210 nan 0.000 0.418 399 R N 0.619 121.099 120.500 -0.033 0.000 2.090 399 R HA -0.076 4.264 4.340 0.000 0.000 0.228 399 R C 1.811 178.059 176.300 -0.086 0.000 1.110 399 R CA 1.397 57.475 56.100 -0.035 0.000 0.973 399 R CB 0.079 30.347 30.300 -0.054 0.000 0.869 399 R HN 0.371 nan 8.270 nan 0.000 0.440 400 N N -0.633 117.976 118.700 -0.152 0.000 2.460 400 N HA 0.048 4.788 4.740 0.000 0.000 0.193 400 N C 0.295 175.796 175.510 -0.014 0.000 1.080 400 N CA 0.150 53.126 53.050 -0.123 0.000 0.869 400 N CB 0.674 38.996 38.487 -0.275 0.000 1.201 400 N HN -0.074 nan 8.380 nan 0.000 0.457 401 V N 0.000 119.923 119.914 0.016 0.000 2.409 401 V HA 0.000 4.120 4.120 0.000 0.000 0.244 401 V CA 0.000 62.335 62.300 0.059 0.000 1.235 401 V CB 0.000 31.874 31.823 0.085 0.000 1.184 401 V HN 0.000 nan 8.190 nan 0.000 0.556