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 2vqo_1_B DATA FIRST_RESID 7 DATA SEQUENCE RFTTGLVYDT LMLKHXXXXX XXXXXXXXAG RIQSIWSRLQ ETGLRGKCEA DATA SEQUENCE IRGRKATLEE LQTVHSEAHT LLYGTNPLXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXDSDT IWNEVHSAGA ARLAVGCVVE LVFKVATGEL KNGFAVVRPP DATA SEQUENCE GHHAEESTPM GFCYFNSVAV AAKLLQQRLS VSKILIVDWD VHHGNGTQQA DATA SEQUENCE FYSDPSVLYM SLHRYDDGNF FPGSGAPDEV GTGPGVGFNV NMAFTGGLDP DATA SEQUENCE PMGDAEYLAA FRTVVMPIAS EFAPDVVLVS SGFDAVEGHP TPLGGYNLSA DATA SEQUENCE RCFGYLTKQL MGLAGGRIVL ALEGGYDLTA ICDASEACVS ALLGNELDPL DATA SEQUENCE PEKVLQQRPN ANAVRSMEKV MEIHSKYWRC LQRTTSTAGR SLIEAQTCE 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.403 176.300 0.171 0.000 0.893 7 R CA 0.000 56.172 56.100 0.119 0.000 0.921 7 R CB 0.000 30.350 30.300 0.084 0.000 0.687 8 F N 3.533 123.501 119.950 0.030 0.000 2.652 8 F HA 0.482 5.011 4.527 0.004 0.000 0.352 8 F C 0.129 175.949 175.800 0.032 0.000 1.259 8 F CA 0.386 58.404 58.000 0.032 0.000 1.249 8 F CB 0.081 39.097 39.000 0.027 0.000 1.628 8 F HN 0.789 nan 8.300 nan 0.000 0.654 9 T N -0.286 114.181 114.554 -0.144 0.000 2.676 9 T HA 0.358 4.711 4.350 0.004 0.000 0.269 9 T C -0.077 174.518 174.700 -0.175 0.000 0.952 9 T CA -0.954 61.050 62.100 -0.161 0.000 1.040 9 T CB 0.899 69.740 68.868 -0.046 0.000 1.352 9 T HN 0.065 nan 8.240 nan 0.000 0.554 10 T N 1.651 116.146 114.554 -0.098 0.000 2.888 10 T HA 0.482 4.834 4.350 0.004 0.000 0.301 10 T C 0.735 175.443 174.700 0.014 0.000 1.001 10 T CA -0.281 61.795 62.100 -0.040 0.000 1.147 10 T CB 0.195 69.055 68.868 -0.013 0.000 0.931 10 T HN 0.817 nan 8.240 nan 0.000 0.541 11 G N 2.369 111.198 108.800 0.048 0.000 2.425 11 G HA2 0.649 4.612 3.960 0.004 0.000 0.302 11 G HA3 0.649 4.612 3.960 0.004 0.000 0.302 11 G C -0.962 174.038 174.900 0.165 0.000 1.159 11 G CA -0.662 44.498 45.100 0.100 0.000 0.865 11 G HN 0.659 nan 8.290 nan 0.000 0.515 12 L N 0.468 121.821 121.223 0.215 0.000 2.388 12 L HA 0.672 5.014 4.340 0.004 0.000 0.264 12 L C -0.779 176.289 176.870 0.329 0.000 0.998 12 L CA -1.151 53.889 54.840 0.333 0.000 0.817 12 L CB 2.479 44.781 42.059 0.404 0.000 1.338 12 L HN 0.394 nan 8.230 nan 0.000 0.414 13 V N 2.545 122.655 119.914 0.327 0.000 2.709 13 V HA 0.667 4.789 4.120 0.004 0.000 0.308 13 V C -1.952 174.256 176.094 0.191 0.000 1.062 13 V CA -0.291 62.133 62.300 0.206 0.000 0.901 13 V CB 2.178 34.076 31.823 0.125 0.000 1.003 13 V HN 0.644 nan 8.190 nan 0.000 0.425 14 Y N 4.638 124.821 120.300 -0.196 0.000 2.558 14 Y HA 0.670 5.222 4.550 0.004 0.000 0.333 14 Y C -1.663 174.018 175.900 -0.365 0.000 1.125 14 Y CA -0.834 57.013 58.100 -0.421 0.000 1.039 14 Y CB 2.094 39.830 38.460 -1.207 0.000 1.331 14 Y HN 0.672 nan 8.280 nan 0.000 0.456 15 D N 2.345 122.183 120.400 -0.937 0.000 2.891 15 D HA 0.152 4.795 4.640 0.004 0.000 0.224 15 D C 0.419 176.247 176.300 -0.786 0.000 1.321 15 D CA 0.304 53.898 54.000 -0.677 0.000 0.929 15 D CB 2.162 42.766 40.800 -0.326 0.000 1.551 15 D HN 0.758 nan 8.370 nan 0.000 0.574 16 T N 0.887 115.075 114.554 -0.610 0.000 2.929 16 T HA -0.085 4.268 4.350 0.004 0.000 0.271 16 T C 2.068 176.657 174.700 -0.185 0.000 1.085 16 T CA 0.531 62.414 62.100 -0.363 0.000 1.125 16 T CB -0.084 68.685 68.868 -0.166 0.000 0.874 16 T HN 0.433 nan 8.240 nan 0.000 0.494 17 L N -0.393 120.735 121.223 -0.160 0.000 2.549 17 L HA 0.151 4.493 4.340 0.004 0.000 0.229 17 L C 2.559 179.400 176.870 -0.048 0.000 1.158 17 L CA 0.779 55.584 54.840 -0.058 0.000 0.842 17 L CB -0.493 41.532 42.059 -0.055 0.000 0.952 17 L HN 0.352 nan 8.230 nan 0.000 0.452 18 M N -0.963 118.560 119.600 -0.128 0.000 2.506 18 M HA 0.028 4.510 4.480 0.004 0.000 0.260 18 M C 0.548 176.841 176.300 -0.012 0.000 1.104 18 M CA 0.408 55.641 55.300 -0.111 0.000 1.112 18 M CB 0.211 32.730 32.600 -0.134 0.000 1.401 18 M HN 0.104 nan 8.290 nan 0.000 0.473 19 L N 0.901 122.140 121.223 0.025 0.000 2.453 19 L HA -0.018 4.325 4.340 0.004 0.000 0.272 19 L C 1.449 178.448 176.870 0.214 0.000 1.182 19 L CA -0.046 54.848 54.840 0.091 0.000 0.858 19 L CB 0.337 42.430 42.059 0.056 0.000 1.120 19 L HN 0.177 nan 8.230 nan 0.000 0.474 20 K N 1.416 121.920 120.400 0.172 0.000 2.032 20 K HA -0.158 4.164 4.320 0.004 0.000 0.209 20 K C 1.153 177.791 176.600 0.063 0.000 1.048 20 K CA 1.532 57.936 56.287 0.195 0.000 0.927 20 K CB -0.329 32.248 32.500 0.129 0.000 0.712 20 K HN 0.788 nan 8.250 nan 0.000 0.441 36 G N 0.569 109.425 108.800 0.093 0.000 2.531 36 G HA2 0.461 4.423 3.960 0.004 0.000 0.253 36 G HA3 0.461 4.423 3.960 0.004 0.000 0.253 36 G C 0.769 175.739 174.900 0.118 0.000 1.439 36 G CA -0.190 44.968 45.100 0.097 0.000 1.056 36 G HN 0.838 nan 8.290 nan 0.000 0.555 37 R N -0.676 119.901 120.500 0.128 0.000 2.064 37 R HA -0.067 4.275 4.340 0.004 0.000 0.228 37 R C 2.619 179.029 176.300 0.183 0.000 1.144 37 R CA 1.819 58.009 56.100 0.150 0.000 0.932 37 R CB -0.700 29.693 30.300 0.156 0.000 0.833 37 R HN 0.647 nan 8.270 nan 0.000 0.429 38 I N -1.135 119.566 120.570 0.218 0.000 2.394 38 I HA -0.186 3.986 4.170 0.004 0.000 0.251 38 I C 2.457 178.774 176.117 0.332 0.000 1.136 38 I CA 1.412 62.895 61.300 0.306 0.000 1.425 38 I CB -0.396 37.818 38.000 0.356 0.000 1.079 38 I HN 0.179 nan 8.210 nan 0.000 0.425 39 Q N 1.507 121.482 119.800 0.293 0.000 2.079 39 Q HA -0.141 4.202 4.340 0.004 0.000 0.200 39 Q C 2.286 178.387 176.000 0.168 0.000 0.974 39 Q CA 2.126 58.084 55.803 0.258 0.000 0.840 39 Q CB 0.080 28.951 28.738 0.222 0.000 0.898 39 Q HN 0.633 nan 8.270 nan 0.000 0.430 40 S N 0.581 116.362 115.700 0.134 0.000 2.368 40 S HA -0.106 4.367 4.470 0.004 0.000 0.224 40 S C 1.856 176.492 174.600 0.059 0.000 1.029 40 S CA 1.062 59.312 58.200 0.083 0.000 0.988 40 S CB -0.196 63.047 63.200 0.071 0.000 0.838 40 S HN 0.367 nan 8.310 nan 0.000 0.462 41 I N 0.404 121.031 120.570 0.094 0.000 2.179 41 I HA -0.211 3.961 4.170 0.004 0.000 0.242 41 I C 2.350 178.481 176.117 0.025 0.000 1.088 41 I CA 1.220 62.561 61.300 0.068 0.000 1.357 41 I CB -0.252 37.847 38.000 0.164 0.000 1.051 41 I HN 0.490 nan 8.210 nan 0.000 0.409 42 W N 1.557 122.740 121.300 -0.195 0.000 2.363 42 W HA -0.211 4.452 4.660 0.004 0.000 0.296 42 W C 2.594 178.981 176.519 -0.220 0.000 1.212 42 W CA 1.652 58.784 57.345 -0.356 0.000 1.260 42 W CB -0.048 28.884 29.460 -0.880 0.000 1.131 42 W HN 0.116 nan 8.180 nan 0.000 0.530 43 S N 0.476 116.150 115.700 -0.043 0.000 2.370 43 S HA -0.260 4.212 4.470 0.004 0.000 0.226 43 S C 1.676 176.184 174.600 -0.153 0.000 1.033 43 S CA 1.850 60.002 58.200 -0.081 0.000 1.011 43 S CB -0.491 62.708 63.200 -0.002 0.000 0.852 43 S HN 0.168 nan 8.310 nan 0.000 0.457 44 R N 1.592 122.009 120.500 -0.139 0.000 2.096 44 R HA 0.097 4.439 4.340 0.004 0.000 0.235 44 R C 1.959 178.127 176.300 -0.220 0.000 1.127 44 R CA 1.238 57.246 56.100 -0.152 0.000 0.968 44 R CB -0.818 29.405 30.300 -0.128 0.000 0.861 44 R HN 0.411 nan 8.270 nan 0.000 0.440 45 L N 0.166 121.202 121.223 -0.312 0.000 2.093 45 L HA -0.159 4.184 4.340 0.004 0.000 0.208 45 L C 2.510 179.141 176.870 -0.398 0.000 1.085 45 L CA 1.374 55.981 54.840 -0.389 0.000 0.755 45 L CB -0.494 41.246 42.059 -0.531 0.000 0.904 45 L HN 0.334 nan 8.230 nan 0.000 0.435 46 Q N 0.041 119.576 119.800 -0.442 0.000 2.016 46 Q HA -0.211 4.131 4.340 0.004 0.000 0.200 46 Q C 2.065 177.946 176.000 -0.199 0.000 0.978 46 Q CA 1.419 57.027 55.803 -0.325 0.000 0.833 46 Q CB -0.150 28.412 28.738 -0.294 0.000 0.895 46 Q HN 0.555 nan 8.270 nan 0.000 0.427 47 E N 0.256 120.356 120.200 -0.167 0.000 2.118 47 E HA -0.157 4.196 4.350 0.004 0.000 0.195 47 E C 1.927 178.461 176.600 -0.109 0.000 0.992 47 E CA 1.681 58.013 56.400 -0.114 0.000 0.804 47 E CB -0.044 29.599 29.700 -0.095 0.000 0.741 47 E HN 0.456 nan 8.360 nan 0.000 0.458 48 T N -3.388 111.087 114.554 -0.132 0.000 3.113 48 T HA 0.211 4.564 4.350 0.004 0.000 0.256 48 T C 1.545 176.177 174.700 -0.114 0.000 1.131 48 T CA 0.473 62.502 62.100 -0.118 0.000 1.074 48 T CB 0.561 69.350 68.868 -0.130 0.000 0.944 48 T HN 0.298 nan 8.240 nan 0.000 0.516 49 G N 1.220 109.944 108.800 -0.127 0.000 2.199 49 G HA2 -0.275 3.687 3.960 0.004 0.000 0.254 49 G HA3 -0.275 3.687 3.960 0.004 0.000 0.254 49 G C 0.760 175.584 174.900 -0.126 0.000 0.982 49 G CA 0.318 45.350 45.100 -0.112 0.000 0.632 49 G HN 0.536 nan 8.290 nan 0.000 0.529 50 L N -0.282 120.848 121.223 -0.155 0.000 2.141 50 L HA 0.032 4.374 4.340 0.004 0.000 0.209 50 L C 2.972 179.735 176.870 -0.178 0.000 1.094 50 L CA 1.508 56.253 54.840 -0.159 0.000 0.763 50 L CB -0.419 41.530 42.059 -0.184 0.000 0.908 50 L HN 0.258 nan 8.230 nan 0.000 0.437 51 R N 0.653 121.005 120.500 -0.247 0.000 2.081 51 R HA -0.125 4.217 4.340 0.004 0.000 0.235 51 R C 2.158 178.368 176.300 -0.151 0.000 1.131 51 R CA 1.545 57.473 56.100 -0.286 0.000 0.960 51 R CB -0.553 29.467 30.300 -0.466 0.000 0.856 51 R HN 0.406 nan 8.270 nan 0.000 0.436 52 G N 0.938 109.667 108.800 -0.119 0.000 2.470 52 G HA2 -0.188 3.774 3.960 0.004 0.000 0.220 52 G HA3 -0.188 3.774 3.960 0.004 0.000 0.220 52 G C 1.322 176.195 174.900 -0.044 0.000 1.121 52 G CA 0.304 45.365 45.100 -0.064 0.000 0.766 52 G HN 0.223 nan 8.290 nan 0.000 0.553 53 K N -0.423 119.942 120.400 -0.058 0.000 2.361 53 K HA 0.136 4.459 4.320 0.004 0.000 0.196 53 K C 0.731 177.314 176.600 -0.029 0.000 1.039 53 K CA -0.017 56.245 56.287 -0.041 0.000 1.001 53 K CB -0.020 32.449 32.500 -0.052 0.000 0.795 53 K HN 0.291 nan 8.250 nan 0.000 0.495 54 C N 1.602 120.884 119.300 -0.030 0.000 2.345 54 C HA 0.341 4.803 4.460 0.004 0.000 0.370 54 C C 0.378 175.387 174.990 0.033 0.000 1.209 54 C CA -0.924 58.093 59.018 -0.001 0.000 2.133 54 C CB 1.330 29.070 27.740 0.001 0.000 2.293 54 C HN 0.265 nan 8.230 nan 0.000 0.544 55 E N 1.345 121.580 120.200 0.058 0.000 2.035 55 E HA 0.385 4.737 4.350 0.004 0.000 0.271 55 E C -0.406 176.272 176.600 0.130 0.000 0.953 55 E CA 0.116 56.566 56.400 0.084 0.000 0.777 55 E CB 1.268 31.012 29.700 0.074 0.000 1.104 55 E HN 0.707 nan 8.360 nan 0.000 0.408 56 A N 5.063 127.984 122.820 0.169 0.000 2.396 56 A HA 0.377 4.700 4.320 0.004 0.000 0.279 56 A C 0.579 178.272 177.584 0.180 0.000 1.165 56 A CA -0.387 51.802 52.037 0.253 0.000 0.824 56 A CB -0.458 18.766 19.000 0.373 0.000 1.100 56 A HN 0.680 nan 8.150 nan 0.000 0.516 57 I N 0.658 121.324 120.570 0.159 0.000 2.918 57 I HA 0.710 4.882 4.170 0.004 0.000 0.316 57 I C 0.412 176.578 176.117 0.081 0.000 1.001 57 I CA -1.279 60.086 61.300 0.109 0.000 1.142 57 I CB 1.344 39.403 38.000 0.099 0.000 1.356 57 I HN 0.729 nan 8.210 nan 0.000 0.524 58 R N 2.490 123.022 120.500 0.054 0.000 2.312 58 R HA 0.672 5.015 4.340 0.004 0.000 0.311 58 R C -0.146 176.160 176.300 0.010 0.000 1.004 58 R CA -0.538 55.576 56.100 0.024 0.000 0.902 58 R CB 1.164 31.475 30.300 0.018 0.000 1.073 58 R HN 0.919 nan 8.270 nan 0.000 0.457 59 G N 2.314 111.107 108.800 -0.013 0.000 2.537 59 G HA2 0.580 4.543 3.960 0.004 0.000 0.297 59 G HA3 0.580 4.543 3.960 0.004 0.000 0.297 59 G C -0.754 174.126 174.900 -0.032 0.000 1.310 59 G CA -1.092 43.995 45.100 -0.021 0.000 1.027 59 G HN 0.825 nan 8.290 nan 0.000 0.505 60 R N -1.726 118.751 120.500 -0.038 0.000 2.728 60 R HA 0.434 4.777 4.340 0.004 0.000 0.274 60 R C -1.126 175.144 176.300 -0.050 0.000 1.030 60 R CA -1.077 54.996 56.100 -0.044 0.000 0.876 60 R CB 1.072 31.346 30.300 -0.043 0.000 1.259 60 R HN 0.356 nan 8.270 nan 0.000 0.468 61 K N 0.855 121.223 120.400 -0.054 0.000 2.401 61 K HA 0.308 4.630 4.320 0.004 0.000 0.278 61 K C 0.072 176.627 176.600 -0.075 0.000 1.018 61 K CA 0.130 56.379 56.287 -0.064 0.000 0.981 61 K CB 1.082 33.545 32.500 -0.061 0.000 0.933 61 K HN 0.619 nan 8.250 nan 0.000 0.477 62 A N 2.489 125.254 122.820 -0.093 0.000 2.483 62 A HA 0.084 4.406 4.320 0.004 0.000 0.238 62 A C 0.611 178.125 177.584 -0.116 0.000 1.070 62 A CA -0.259 51.714 52.037 -0.108 0.000 0.770 62 A CB -0.047 18.874 19.000 -0.132 0.000 1.008 62 A HN 0.794 nan 8.150 nan 0.000 0.497 63 T N 0.164 114.658 114.554 -0.099 0.000 2.828 63 T HA 0.324 4.677 4.350 0.004 0.000 0.290 63 T C 0.997 175.637 174.700 -0.099 0.000 1.019 63 T CA -0.524 61.523 62.100 -0.087 0.000 1.031 63 T CB 0.314 69.141 68.868 -0.068 0.000 1.001 63 T HN 0.275 nan 8.240 nan 0.000 0.531 64 L N 0.654 121.829 121.223 -0.080 0.000 2.093 64 L HA 0.061 4.403 4.340 0.004 0.000 0.208 64 L C 2.782 179.626 176.870 -0.043 0.000 1.085 64 L CA 1.667 56.465 54.840 -0.071 0.000 0.755 64 L CB -1.485 40.550 42.059 -0.040 0.000 0.904 64 L HN 0.959 nan 8.230 nan 0.000 0.435 65 E N -0.122 120.057 120.200 -0.035 0.000 2.077 65 E HA -0.237 4.115 4.350 0.004 0.000 0.193 65 E C 1.921 178.508 176.600 -0.022 0.000 0.989 65 E CA 1.300 57.688 56.400 -0.021 0.000 0.800 65 E CB 0.098 29.785 29.700 -0.023 0.000 0.746 65 E HN 0.566 nan 8.360 nan 0.000 0.452 66 E N 0.393 120.569 120.200 -0.040 0.000 2.077 66 E HA -0.183 4.169 4.350 0.004 0.000 0.193 66 E C 2.282 178.870 176.600 -0.019 0.000 0.989 66 E CA 1.072 57.452 56.400 -0.035 0.000 0.800 66 E CB -0.077 29.588 29.700 -0.058 0.000 0.746 66 E HN 0.329 nan 8.360 nan 0.000 0.452 67 L N 0.721 121.917 121.223 -0.044 0.000 2.131 67 L HA -0.221 4.122 4.340 0.004 0.000 0.210 67 L C 2.202 179.140 176.870 0.113 0.000 1.092 67 L CA 1.141 55.984 54.840 0.006 0.000 0.759 67 L CB -0.277 41.673 42.059 -0.181 0.000 0.903 67 L HN 0.137 nan 8.230 nan 0.000 0.435 68 Q N -0.747 119.089 119.800 0.059 0.000 2.482 68 Q HA -0.087 4.255 4.340 0.004 0.000 0.209 68 Q C 2.032 178.036 176.000 0.007 0.000 0.961 68 Q CA 1.189 57.029 55.803 0.062 0.000 0.945 68 Q CB 0.027 28.795 28.738 0.049 0.000 1.012 68 Q HN 0.613 nan 8.270 nan 0.000 0.515 69 T N -3.459 111.087 114.554 -0.012 0.000 2.915 69 T HA -0.060 4.292 4.350 0.004 0.000 0.269 69 T C 1.663 176.288 174.700 -0.124 0.000 1.071 69 T CA 1.012 63.085 62.100 -0.044 0.000 1.132 69 T CB 0.023 68.882 68.868 -0.016 0.000 0.878 69 T HN 0.056 nan 8.240 nan 0.000 0.479 70 V N -0.175 119.631 119.914 -0.180 0.000 3.013 70 V HA 0.242 4.365 4.120 0.004 0.000 0.238 70 V C 0.833 176.662 176.094 -0.441 0.000 1.161 70 V CA 0.104 62.166 62.300 -0.398 0.000 1.170 70 V CB -0.055 31.418 31.823 -0.584 0.000 0.917 70 V HN 0.541 nan 8.190 nan 0.000 0.478 71 H N 0.684 119.757 119.070 0.005 0.000 2.502 71 H HA 0.518 5.076 4.556 0.004 0.000 0.338 71 H C 0.250 175.610 175.328 0.055 0.000 1.155 71 H CA 0.128 56.183 56.048 0.013 0.000 1.237 71 H CB 1.604 31.456 29.762 0.150 0.000 1.534 71 H HN 0.370 nan 8.280 nan 0.000 0.523 72 S N 0.166 115.973 115.700 0.178 0.000 2.589 72 S HA -0.046 4.426 4.470 0.004 0.000 0.265 72 S C 1.306 176.018 174.600 0.187 0.000 1.342 72 S CA -0.364 57.920 58.200 0.140 0.000 1.005 72 S CB 1.324 64.591 63.200 0.112 0.000 0.909 72 S HN 0.836 nan 8.310 nan 0.000 0.555 73 E N 1.203 121.475 120.200 0.121 0.000 2.051 73 E HA -0.159 4.193 4.350 0.004 0.000 0.192 73 E C 2.195 178.867 176.600 0.119 0.000 0.991 73 E CA 1.200 57.663 56.400 0.105 0.000 0.799 73 E CB -0.616 29.120 29.700 0.061 0.000 0.748 73 E HN 0.838 nan 8.360 nan 0.000 0.449 74 A N 0.382 123.270 122.820 0.114 0.000 1.883 74 A HA -0.259 4.063 4.320 0.004 0.000 0.217 74 A C 1.977 179.643 177.584 0.136 0.000 1.186 74 A CA 2.045 54.139 52.037 0.095 0.000 0.624 74 A CB -1.040 18.007 19.000 0.078 0.000 0.822 74 A HN 0.547 nan 8.150 nan 0.000 0.444 75 H N 0.339 119.490 119.070 0.134 0.000 2.319 75 H HA -0.144 4.415 4.556 0.005 0.000 0.299 75 H C 2.395 177.909 175.328 0.309 0.000 1.092 75 H CA 3.104 59.290 56.048 0.230 0.000 1.302 75 H CB -0.245 29.656 29.762 0.232 0.000 1.373 75 H HN 0.544 nan 8.280 nan 0.000 0.497 76 T N -1.461 113.315 114.554 0.371 0.000 2.821 76 T HA -0.105 4.248 4.350 0.004 0.000 0.267 76 T C 2.220 177.015 174.700 0.157 0.000 1.046 76 T CA 1.319 63.612 62.100 0.322 0.000 1.139 76 T CB -0.543 68.457 68.868 0.221 0.000 0.871 76 T HN 0.314 nan 8.240 nan 0.000 0.454 77 L N 0.224 121.501 121.223 0.089 0.000 2.056 77 L HA 0.058 4.400 4.340 0.004 0.000 0.207 77 L C 2.827 179.680 176.870 -0.029 0.000 1.078 77 L CA 0.877 55.732 54.840 0.025 0.000 0.749 77 L CB -0.607 41.459 42.059 0.012 0.000 0.901 77 L HN 0.255 nan 8.230 nan 0.000 0.433 78 L N -0.579 120.583 121.223 -0.102 0.000 1.976 78 L HA -0.264 4.078 4.340 0.004 0.000 0.209 78 L C 2.369 179.029 176.870 -0.351 0.000 1.071 78 L CA 2.291 56.951 54.840 -0.300 0.000 0.746 78 L CB -0.633 41.121 42.059 -0.509 0.000 0.890 78 L HN 0.246 nan 8.230 nan 0.000 0.432 79 Y N -0.878 119.372 120.300 -0.084 0.000 2.510 79 Y HA 0.116 4.668 4.550 0.003 0.000 0.273 79 Y C 2.393 178.359 175.900 0.109 0.000 1.119 79 Y CA 0.522 58.572 58.100 -0.084 0.000 1.286 79 Y CB -0.251 38.029 38.460 -0.299 0.000 1.061 79 Y HN 0.224 nan 8.280 nan 0.000 0.542 80 G N -0.377 108.605 108.800 0.304 0.000 2.603 80 G HA2 -0.032 3.930 3.960 0.004 0.000 0.214 80 G HA3 -0.032 3.930 3.960 0.004 0.000 0.214 80 G C 0.550 175.486 174.900 0.060 0.000 1.140 80 G CA 0.632 45.846 45.100 0.190 0.000 0.800 80 G HN 0.278 nan 8.290 nan 0.000 0.533 81 T N -1.418 113.159 114.554 0.038 0.000 2.855 81 T HA 0.440 4.793 4.350 0.004 0.000 0.281 81 T C -0.442 174.270 174.700 0.019 0.000 1.007 81 T CA -1.003 61.106 62.100 0.014 0.000 1.009 81 T CB 2.270 71.138 68.868 0.001 0.000 0.983 81 T HN -0.052 nan 8.240 nan 0.000 0.455 82 N N 2.639 121.352 118.700 0.022 0.000 2.475 82 N HA 0.178 4.920 4.740 0.004 0.000 0.267 82 N C -1.271 174.265 175.510 0.043 0.000 1.169 82 N CA -1.545 51.528 53.050 0.039 0.000 0.947 82 N CB 1.088 39.592 38.487 0.028 0.000 1.061 82 N HN 0.471 nan 8.380 nan 0.000 0.466 83 P HA 0.037 nan 4.420 nan 0.000 0.218 83 P C 0.163 177.499 177.300 0.061 0.000 1.148 83 P CA 1.142 64.293 63.100 0.086 0.000 0.822 83 P CB 0.133 31.943 31.700 0.183 0.000 0.784 114 S N 2.226 117.958 115.700 0.054 0.000 2.447 114 S HA -0.107 4.366 4.470 0.004 0.000 0.233 114 S C 0.908 175.547 174.600 0.065 0.000 1.006 114 S CA 1.202 59.439 58.200 0.062 0.000 0.957 114 S CB 0.126 63.355 63.200 0.049 0.000 0.773 114 S HN 0.433 nan 8.310 nan 0.000 0.507 115 D N 1.308 121.743 120.400 0.057 0.000 2.340 115 D HA 0.118 4.761 4.640 0.004 0.000 0.220 115 D C 1.019 177.349 176.300 0.050 0.000 1.039 115 D CA 0.456 54.485 54.000 0.048 0.000 0.866 115 D CB 0.280 41.102 40.800 0.037 0.000 0.913 115 D HN 0.623 nan 8.370 nan 0.000 0.523 116 T N -2.806 111.794 114.554 0.075 0.000 2.923 116 T HA 0.305 4.658 4.350 0.004 0.000 0.281 116 T C 1.399 176.109 174.700 0.016 0.000 0.995 116 T CA -0.797 61.344 62.100 0.069 0.000 0.985 116 T CB 1.367 70.338 68.868 0.172 0.000 1.114 116 T HN -0.083 nan 8.240 nan 0.000 0.548 117 I N -0.457 120.039 120.570 -0.124 0.000 2.567 117 I HA -0.000 4.172 4.170 0.004 0.000 0.257 117 I C 1.247 177.209 176.117 -0.258 0.000 1.184 117 I CA 0.971 62.120 61.300 -0.251 0.000 1.451 117 I CB -0.041 37.698 38.000 -0.434 0.000 1.089 117 I HN 0.739 nan 8.210 nan 0.000 0.441 118 W N 0.576 121.892 121.300 0.027 0.000 2.519 118 W HA -0.090 4.573 4.660 0.005 0.000 0.266 118 W C 2.319 178.868 176.519 0.050 0.000 1.253 118 W CA 0.581 57.943 57.345 0.028 0.000 1.274 118 W CB -0.698 28.768 29.460 0.010 0.000 1.114 118 W HN 0.202 nan 8.180 nan 0.000 0.596 119 N N 1.188 120.020 118.700 0.220 0.000 2.149 119 N HA -0.212 4.530 4.740 0.004 0.000 0.188 119 N C 1.332 176.942 175.510 0.166 0.000 1.019 119 N CA 1.505 54.663 53.050 0.180 0.000 0.857 119 N CB 0.054 38.619 38.487 0.130 0.000 0.997 119 N HN 0.104 nan 8.380 nan 0.000 0.426 120 E N 0.083 120.349 120.200 0.111 0.000 2.152 120 E HA -0.020 4.333 4.350 0.004 0.000 0.192 120 E C 1.989 178.602 176.600 0.022 0.000 0.983 120 E CA 0.230 56.684 56.400 0.091 0.000 0.818 120 E CB 0.017 29.771 29.700 0.090 0.000 0.758 120 E HN 0.142 nan 8.360 nan 0.000 0.467 121 V N 0.166 120.120 119.914 0.068 0.000 2.307 121 V HA -0.260 3.863 4.120 0.004 0.000 0.245 121 V C 2.155 178.304 176.094 0.092 0.000 1.045 121 V CA 2.106 64.459 62.300 0.088 0.000 1.024 121 V CB -0.532 31.443 31.823 0.252 0.000 0.651 121 V HN 0.365 nan 8.190 nan 0.000 0.449 122 H N 0.486 119.592 119.070 0.061 0.000 2.353 122 H HA -0.130 4.428 4.556 0.004 0.000 0.300 122 H C 2.417 177.735 175.328 -0.017 0.000 1.090 122 H CA 1.988 58.054 56.048 0.031 0.000 1.327 122 H CB -0.169 29.625 29.762 0.053 0.000 1.383 122 H HN 0.359 nan 8.280 nan 0.000 0.508 123 S N -0.126 115.518 115.700 -0.094 0.000 2.368 123 S HA -0.158 4.315 4.470 0.004 0.000 0.225 123 S C 2.407 176.811 174.600 -0.326 0.000 1.030 123 S CA 0.971 59.080 58.200 -0.153 0.000 0.999 123 S CB -0.606 62.618 63.200 0.040 0.000 0.844 123 S HN 0.676 nan 8.310 nan 0.000 0.459 124 A N 1.307 123.764 122.820 -0.605 0.000 1.972 124 A HA 0.091 4.414 4.320 0.004 0.000 0.219 124 A C 2.280 179.744 177.584 -0.200 0.000 1.169 124 A CA 1.669 53.236 52.037 -0.783 0.000 0.635 124 A CB -1.246 17.264 19.000 -0.816 0.000 0.810 124 A HN 0.521 nan 8.150 nan 0.000 0.446 125 G N -0.548 108.160 108.800 -0.153 0.000 2.402 125 G HA2 0.060 4.023 3.960 0.004 0.000 0.216 125 G HA3 0.060 4.023 3.960 0.004 0.000 0.216 125 G C 1.722 176.556 174.900 -0.110 0.000 1.162 125 G CA 1.199 46.253 45.100 -0.076 0.000 0.777 125 G HN 0.764 nan 8.290 nan 0.000 0.539 126 A N 1.119 123.800 122.820 -0.233 0.000 1.972 126 A HA 0.257 4.579 4.320 0.004 0.000 0.219 126 A C 2.756 180.312 177.584 -0.046 0.000 1.169 126 A CA 2.157 54.076 52.037 -0.196 0.000 0.635 126 A CB -0.617 18.209 19.000 -0.290 0.000 0.810 126 A HN 0.720 nan 8.150 nan 0.000 0.446 127 A N -0.205 122.630 122.820 0.025 0.000 1.898 127 A HA -0.140 4.183 4.320 0.004 0.000 0.216 127 A C 2.224 179.960 177.584 0.254 0.000 1.181 127 A CA 1.652 53.807 52.037 0.197 0.000 0.620 127 A CB -0.481 18.689 19.000 0.284 0.000 0.819 127 A HN 0.565 nan 8.150 nan 0.000 0.442 128 R N -0.779 119.836 120.500 0.192 0.000 2.091 128 R HA -0.141 4.202 4.340 0.004 0.000 0.238 128 R C 1.989 178.265 176.300 -0.041 0.000 1.136 128 R CA 1.765 57.847 56.100 -0.030 0.000 0.959 128 R CB -0.380 29.876 30.300 -0.073 0.000 0.856 128 R HN 0.434 nan 8.270 nan 0.000 0.437 129 L N 0.473 121.681 121.223 -0.026 0.000 2.156 129 L HA 0.064 4.407 4.340 0.004 0.000 0.208 129 L C 2.153 179.008 176.870 -0.026 0.000 1.095 129 L CA 1.933 56.747 54.840 -0.042 0.000 0.770 129 L CB -0.533 41.488 42.059 -0.063 0.000 0.914 129 L HN 0.232 nan 8.230 nan 0.000 0.439 130 A N -1.060 121.762 122.820 0.003 0.000 1.933 130 A HA -0.116 4.206 4.320 0.004 0.000 0.218 130 A C 2.225 179.830 177.584 0.036 0.000 1.175 130 A CA 1.837 53.887 52.037 0.023 0.000 0.628 130 A CB -0.992 18.040 19.000 0.055 0.000 0.814 130 A HN 0.292 nan 8.150 nan 0.000 0.444 131 V N -0.179 119.764 119.914 0.047 0.000 2.358 131 V HA -0.161 3.962 4.120 0.004 0.000 0.246 131 V C 2.766 178.867 176.094 0.013 0.000 1.047 131 V CA 1.940 64.266 62.300 0.044 0.000 1.035 131 V CB -1.342 30.499 31.823 0.029 0.000 0.658 131 V HN 0.602 nan 8.190 nan 0.000 0.452 132 G N -1.426 107.364 108.800 -0.016 0.000 2.403 132 G HA2 -0.215 3.748 3.960 0.004 0.000 0.216 132 G HA3 -0.215 3.748 3.960 0.004 0.000 0.216 132 G C 1.711 176.605 174.900 -0.011 0.000 1.154 132 G CA 1.116 46.198 45.100 -0.029 0.000 0.784 132 G HN 0.523 nan 8.290 nan 0.000 0.538 133 C N 0.000 119.297 119.300 -0.005 0.000 2.413 133 C HA -0.020 4.443 4.460 0.004 0.000 0.276 133 C C 3.049 178.060 174.990 0.034 0.000 1.248 133 C CA 0.790 59.813 59.018 0.008 0.000 1.742 133 C CB -0.870 26.868 27.740 -0.003 0.000 2.017 133 C HN 0.289 nan 8.230 nan 0.000 0.481 134 V N 0.377 120.313 119.914 0.035 0.000 2.307 134 V HA -0.174 3.948 4.120 0.004 0.000 0.245 134 V C 2.437 178.582 176.094 0.085 0.000 1.045 134 V CA 1.938 64.266 62.300 0.047 0.000 1.024 134 V CB -0.764 31.081 31.823 0.038 0.000 0.651 134 V HN 0.434 nan 8.190 nan 0.000 0.449 135 V N -0.125 119.841 119.914 0.087 0.000 2.282 135 V HA -0.281 3.842 4.120 0.004 0.000 0.249 135 V C 2.660 178.853 176.094 0.164 0.000 1.057 135 V CA 2.108 64.489 62.300 0.136 0.000 1.032 135 V CB -0.651 31.187 31.823 0.024 0.000 0.645 135 V HN 0.559 nan 8.190 nan 0.000 0.447 136 E N -0.486 119.758 120.200 0.073 0.000 2.085 136 E HA -0.224 4.128 4.350 0.004 0.000 0.194 136 E C 2.104 178.786 176.600 0.137 0.000 0.994 136 E CA 1.289 57.736 56.400 0.079 0.000 0.801 136 E CB -0.369 29.353 29.700 0.037 0.000 0.743 136 E HN 0.453 nan 8.360 nan 0.000 0.453 137 L N 0.462 121.758 121.223 0.120 0.000 2.044 137 L HA -0.111 4.231 4.340 0.004 0.000 0.205 137 L C 2.353 179.298 176.870 0.125 0.000 1.075 137 L CA 1.161 56.069 54.840 0.115 0.000 0.747 137 L CB -0.541 41.574 42.059 0.093 0.000 0.903 137 L HN -0.110 nan 8.230 nan 0.000 0.435 138 V N -0.668 119.332 119.914 0.143 0.000 2.332 138 V HA -0.304 3.819 4.120 0.004 0.000 0.248 138 V C 2.338 178.485 176.094 0.088 0.000 1.055 138 V CA 1.998 64.363 62.300 0.108 0.000 1.038 138 V CB -0.750 31.145 31.823 0.120 0.000 0.651 138 V HN 0.324 nan 8.190 nan 0.000 0.450 139 F N 0.386 120.357 119.950 0.034 0.000 2.206 139 F HA -0.057 4.472 4.527 0.004 0.000 0.298 139 F C 2.357 178.185 175.800 0.047 0.000 1.090 139 F CA 1.327 59.350 58.000 0.037 0.000 1.323 139 F CB -0.377 38.642 39.000 0.032 0.000 1.028 139 F HN 0.034 nan 8.300 nan 0.000 0.492 140 K N -0.268 120.258 120.400 0.210 0.000 2.147 140 K HA -0.100 4.222 4.320 0.004 0.000 0.205 140 K C 2.008 178.677 176.600 0.114 0.000 1.049 140 K CA 1.257 57.632 56.287 0.147 0.000 0.936 140 K CB -0.398 32.179 32.500 0.129 0.000 0.722 140 K HN 0.159 nan 8.250 nan 0.000 0.446 141 V N 0.990 120.955 119.914 0.084 0.000 2.407 141 V HA -0.127 3.995 4.120 0.004 0.000 0.245 141 V C 2.276 178.395 176.094 0.042 0.000 1.041 141 V CA 1.764 64.100 62.300 0.060 0.000 1.040 141 V CB -0.365 31.479 31.823 0.035 0.000 0.671 141 V HN 0.282 nan 8.190 nan 0.000 0.455 142 A N 0.733 123.539 122.820 -0.023 0.000 2.015 142 A HA -0.179 4.143 4.320 0.004 0.000 0.219 142 A C 2.332 179.892 177.584 -0.041 0.000 1.163 142 A CA 2.200 54.187 52.037 -0.084 0.000 0.646 142 A CB -0.697 18.147 19.000 -0.259 0.000 0.806 142 A HN 0.631 nan 8.150 nan 0.000 0.448 143 T N -5.161 109.399 114.554 0.009 0.000 3.081 143 T HA 0.408 4.760 4.350 0.004 0.000 0.250 143 T C 1.390 176.135 174.700 0.074 0.000 1.100 143 T CA 1.094 63.220 62.100 0.043 0.000 1.038 143 T CB 0.253 69.170 68.868 0.080 0.000 0.962 143 T HN 1.626 nan 8.240 nan 0.000 0.516 144 G N 1.316 110.189 108.800 0.122 0.000 2.175 144 G HA2 -0.297 3.666 3.960 0.004 0.000 0.244 144 G HA3 -0.297 3.666 3.960 0.004 0.000 0.244 144 G C 0.561 175.626 174.900 0.274 0.000 0.982 144 G CA 0.520 45.744 45.100 0.207 0.000 0.641 144 G HN 0.573 nan 8.290 nan 0.000 0.527 145 E N -0.581 119.739 120.200 0.200 0.000 2.077 145 E HA 0.080 4.433 4.350 0.004 0.000 0.193 145 E C 1.108 177.871 176.600 0.272 0.000 0.989 145 E CA 0.804 57.324 56.400 0.199 0.000 0.800 145 E CB -0.018 29.766 29.700 0.139 0.000 0.746 145 E HN 0.622 nan 8.360 nan 0.000 0.452 146 L N -0.346 121.001 121.223 0.207 0.000 2.301 146 L HA 0.295 4.637 4.340 0.004 0.000 0.264 146 L C 0.959 177.760 176.870 -0.116 0.000 1.016 146 L CA -0.743 54.132 54.840 0.059 0.000 0.821 146 L CB 1.556 43.633 42.059 0.029 0.000 1.346 146 L HN -0.174 nan 8.230 nan 0.000 0.429 147 K N 0.646 120.707 120.400 -0.565 0.000 2.005 147 K HA -0.012 4.311 4.320 0.004 0.000 0.206 147 K C 0.099 176.565 176.600 -0.223 0.000 1.044 147 K CA 1.241 57.098 56.287 -0.717 0.000 0.942 147 K CB 0.284 32.206 32.500 -0.964 0.000 0.727 147 K HN 0.838 nan 8.250 nan 0.000 0.439 148 N N -2.065 116.545 118.700 -0.150 0.000 3.204 148 N HA 0.471 5.213 4.740 0.004 0.000 0.285 148 N C -0.985 174.536 175.510 0.018 0.000 1.536 148 N CA -0.651 52.379 53.050 -0.033 0.000 0.832 148 N CB 1.420 39.901 38.487 -0.010 0.000 1.645 148 N HN 0.081 nan 8.380 nan 0.000 0.586 149 G N -1.903 106.941 108.800 0.075 0.000 2.632 149 G HA2 0.550 4.513 3.960 0.004 0.000 0.292 149 G HA3 0.550 4.513 3.960 0.004 0.000 0.292 149 G C -2.332 172.692 174.900 0.208 0.000 1.465 149 G CA -0.799 44.379 45.100 0.129 0.000 0.824 149 G HN 0.519 nan 8.290 nan 0.000 0.509 150 F N 1.286 121.292 119.950 0.094 0.000 2.562 150 F HA 0.688 5.218 4.527 0.005 0.000 0.319 150 F C 0.033 175.923 175.800 0.150 0.000 1.154 150 F CA -0.720 57.353 58.000 0.121 0.000 0.931 150 F CB 2.081 41.161 39.000 0.135 0.000 1.198 150 F HN 0.745 nan 8.300 nan 0.000 0.444 151 A N 5.742 128.441 122.820 -0.203 0.000 2.253 151 A HA 0.596 4.918 4.320 0.004 0.000 0.316 151 A C -1.083 176.503 177.584 0.004 0.000 1.327 151 A CA -0.566 51.458 52.037 -0.022 0.000 0.917 151 A CB 0.417 19.382 19.000 -0.058 0.000 1.162 151 A HN 0.556 nan 8.150 nan 0.000 0.535 152 V N 4.867 124.961 119.914 0.300 0.000 2.276 152 V HA 0.328 4.450 4.120 0.004 0.000 0.249 152 V C 0.246 176.503 176.094 0.272 0.000 1.160 152 V CA -0.006 62.531 62.300 0.395 0.000 1.042 152 V CB -0.484 31.689 31.823 0.585 0.000 1.224 152 V HN 0.775 nan 8.190 nan 0.000 0.496 153 V N 2.990 122.995 119.914 0.152 0.000 2.962 153 V HA 1.046 5.168 4.120 0.004 0.000 0.313 153 V C -0.650 175.494 176.094 0.083 0.000 1.099 153 V CA -1.130 61.222 62.300 0.086 0.000 0.971 153 V CB 2.403 34.249 31.823 0.040 0.000 1.028 153 V HN 0.878 nan 8.190 nan 0.000 0.430 154 R N 2.589 123.126 120.500 0.062 0.000 2.710 154 R HA 0.834 5.176 4.340 0.004 0.000 0.270 154 R C -3.259 173.073 176.300 0.053 0.000 1.021 154 R CA -1.375 54.765 56.100 0.067 0.000 0.889 154 R CB 1.382 31.729 30.300 0.077 0.000 1.243 154 R HN 0.537 nan 8.270 nan 0.000 0.464 155 P HA 0.235 nan 4.420 nan 0.000 0.274 155 P C -2.323 175.049 177.300 0.120 0.000 1.260 155 P CA -1.093 62.077 63.100 0.117 0.000 0.793 155 P CB -0.269 31.542 31.700 0.185 0.000 1.048 156 P HA 0.096 nan 4.420 nan 0.000 0.273 156 P C 0.569 177.958 177.300 0.149 0.000 1.250 156 P CA 0.197 63.371 63.100 0.124 0.000 0.793 156 P CB 0.204 32.001 31.700 0.162 0.000 1.011 157 G N -1.169 107.717 108.800 0.143 0.000 2.695 157 G HA2 -0.033 3.929 3.960 0.004 0.000 0.205 157 G HA3 -0.033 3.929 3.960 0.004 0.000 0.205 157 G C 1.006 175.991 174.900 0.143 0.000 1.068 157 G CA 0.260 45.450 45.100 0.150 0.000 0.842 157 G HN 0.733 nan 8.290 nan 0.000 0.628 158 H N -1.659 117.355 119.070 -0.093 0.000 2.546 158 H HA 0.165 4.724 4.556 0.005 0.000 0.277 158 H C 1.791 176.997 175.328 -0.203 0.000 1.004 158 H CA 0.826 56.778 56.048 -0.160 0.000 1.231 158 H CB -0.044 29.608 29.762 -0.183 0.000 1.382 158 H HN 0.284 nan 8.280 nan 0.000 0.580 159 H N 0.865 119.824 119.070 -0.185 0.000 2.562 159 H HA 0.359 4.917 4.556 0.004 0.000 0.267 159 H C 0.861 176.099 175.328 -0.151 0.000 0.959 159 H CA 0.442 56.350 56.048 -0.234 0.000 1.204 159 H CB 0.015 29.675 29.762 -0.171 0.000 1.430 159 H HN 0.499 nan 8.280 nan 0.000 0.545 160 A N 2.116 124.944 122.820 0.015 0.000 2.484 160 A HA 0.115 4.437 4.320 0.004 0.000 0.268 160 A C 0.445 178.042 177.584 0.022 0.000 1.114 160 A CA -0.019 52.012 52.037 -0.011 0.000 0.780 160 A CB 0.154 19.166 19.000 0.020 0.000 1.061 160 A HN 0.332 nan 8.150 nan 0.000 0.505 161 E N 1.055 121.222 120.200 -0.055 0.000 2.302 161 E HA 0.140 4.493 4.350 0.004 0.000 0.255 161 E C 0.818 177.375 176.600 -0.071 0.000 1.099 161 E CA -0.553 55.797 56.400 -0.083 0.000 0.929 161 E CB 0.744 30.378 29.700 -0.110 0.000 1.203 161 E HN 0.846 nan 8.360 nan 0.000 0.459 162 E N 0.376 120.508 120.200 -0.114 0.000 2.070 162 E HA -0.237 4.115 4.350 0.004 0.000 0.197 162 E C 1.210 177.741 176.600 -0.114 0.000 1.004 162 E CA 1.648 57.983 56.400 -0.108 0.000 0.805 162 E CB 0.074 29.708 29.700 -0.111 0.000 0.744 162 E HN 0.281 nan 8.360 nan 0.000 0.451 163 S N -0.865 114.756 115.700 -0.131 0.000 2.937 163 S HA 0.161 4.634 4.470 0.004 0.000 0.252 163 S C -1.025 173.577 174.600 0.002 0.000 1.022 163 S CA -0.402 57.758 58.200 -0.067 0.000 1.079 163 S CB 0.859 64.079 63.200 0.033 0.000 1.035 163 S HN 0.118 nan 8.310 nan 0.000 0.594 164 T N 4.529 119.016 114.554 -0.112 0.000 2.965 164 T HA 0.448 4.800 4.350 0.004 0.000 0.306 164 T C -3.099 171.533 174.700 -0.113 0.000 0.991 164 T CA -1.030 61.042 62.100 -0.046 0.000 1.001 164 T CB 2.015 70.844 68.868 -0.065 0.000 0.984 164 T HN 0.132 nan 8.240 nan 0.000 0.446 165 P HA 0.570 nan 4.420 nan 0.000 0.278 165 P C -0.764 176.343 177.300 -0.321 0.000 1.238 165 P CA -0.630 62.271 63.100 -0.331 0.000 0.794 165 P CB 0.849 32.137 31.700 -0.686 0.000 0.955 166 M N -2.308 117.098 119.600 -0.323 0.000 2.790 166 M HA 0.569 5.051 4.480 0.004 0.000 0.272 166 M C 0.042 176.219 176.300 -0.204 0.000 1.168 166 M CA -0.462 54.684 55.300 -0.257 0.000 0.829 166 M CB 0.988 33.487 32.600 -0.168 0.000 1.675 166 M HN 0.422 nan 8.290 nan 0.000 0.505 167 G N 0.972 109.622 108.800 -0.250 0.000 2.366 167 G HA2 -0.217 3.745 3.960 0.004 0.000 0.299 167 G HA3 -0.217 3.745 3.960 0.004 0.000 0.299 167 G C 0.009 174.848 174.900 -0.102 0.000 1.020 167 G CA 0.828 45.775 45.100 -0.256 0.000 1.026 167 G HN 1.492 nan 8.290 nan 0.000 0.512 168 F N -4.355 115.507 119.950 -0.146 0.000 2.871 168 F HA -0.292 4.238 4.527 0.005 0.000 0.326 168 F C 1.381 177.082 175.800 -0.165 0.000 0.675 168 F CA 0.565 58.485 58.000 -0.133 0.000 1.188 168 F CB -2.071 36.910 39.000 -0.031 0.000 1.567 168 F HN 0.528 nan 8.300 nan 0.000 0.325 169 C N 0.168 119.394 119.300 -0.123 0.000 2.329 169 C HA 0.530 4.992 4.460 0.004 0.000 0.329 169 C C 1.388 176.113 174.990 -0.441 0.000 1.275 169 C CA -0.436 58.512 59.018 -0.116 0.000 1.726 169 C CB 0.357 28.114 27.740 0.028 0.000 2.291 169 C HN 0.361 nan 8.230 nan 0.000 0.514 170 Y N 0.048 120.182 120.300 -0.277 0.000 2.382 170 Y HA 0.377 4.930 4.550 0.005 0.000 0.292 170 Y C 0.493 175.880 175.900 -0.856 0.000 1.151 170 Y CA 0.543 58.231 58.100 -0.687 0.000 1.198 170 Y CB 0.244 38.191 38.460 -0.855 0.000 1.195 170 Y HN 0.530 nan 8.280 nan 0.000 0.530 171 F N -0.051 119.948 119.950 0.082 0.000 2.540 171 F HA 0.286 4.816 4.527 0.004 0.000 0.317 171 F C -0.183 175.736 175.800 0.199 0.000 1.104 171 F CA -1.166 56.858 58.000 0.040 0.000 0.913 171 F CB 1.152 40.192 39.000 0.067 0.000 1.170 171 F HN -0.206 nan 8.300 nan 0.000 0.450 172 N N 1.506 120.534 118.700 0.547 0.000 2.605 172 N HA 0.061 4.804 4.740 0.004 0.000 0.258 172 N C 0.565 176.218 175.510 0.239 0.000 1.156 172 N CA -0.146 53.080 53.050 0.293 0.000 1.008 172 N CB 0.526 39.119 38.487 0.177 0.000 1.354 172 N HN 0.634 nan 8.380 nan 0.000 0.509 173 S N 1.310 117.130 115.700 0.200 0.000 2.359 173 S HA -0.177 4.295 4.470 0.004 0.000 0.223 173 S C 1.929 176.596 174.600 0.112 0.000 1.039 173 S CA 1.085 59.371 58.200 0.143 0.000 1.042 173 S CB -0.103 63.159 63.200 0.103 0.000 0.915 173 S HN 0.408 nan 8.310 nan 0.000 0.439 174 V N 2.084 122.050 119.914 0.087 0.000 2.343 174 V HA -0.201 3.921 4.120 0.004 0.000 0.247 174 V C 2.678 178.851 176.094 0.131 0.000 1.051 174 V CA 1.673 64.016 62.300 0.071 0.000 1.036 174 V CB -1.306 30.533 31.823 0.027 0.000 0.654 174 V HN 0.568 nan 8.190 nan 0.000 0.451 175 A N -0.370 122.554 122.820 0.174 0.000 1.933 175 A HA -0.142 4.180 4.320 0.004 0.000 0.218 175 A C 2.393 180.115 177.584 0.230 0.000 1.175 175 A CA 1.963 54.177 52.037 0.294 0.000 0.628 175 A CB -0.593 18.494 19.000 0.146 0.000 0.814 175 A HN 0.338 nan 8.150 nan 0.000 0.444 176 V N -0.200 119.796 119.914 0.137 0.000 2.307 176 V HA -0.229 3.893 4.120 0.004 0.000 0.245 176 V C 3.070 179.256 176.094 0.152 0.000 1.045 176 V CA 1.858 64.224 62.300 0.110 0.000 1.024 176 V CB -1.196 30.687 31.823 0.100 0.000 0.651 176 V HN 0.611 nan 8.190 nan 0.000 0.449 177 A N 0.034 122.949 122.820 0.159 0.000 1.908 177 A HA -0.189 4.133 4.320 0.004 0.000 0.218 177 A C 2.421 180.118 177.584 0.188 0.000 1.181 177 A CA 2.332 54.484 52.037 0.193 0.000 0.627 177 A CB -0.814 18.275 19.000 0.147 0.000 0.818 177 A HN 0.584 nan 8.150 nan 0.000 0.445 178 A N -0.413 122.511 122.820 0.172 0.000 1.877 178 A HA -0.144 4.179 4.320 0.004 0.000 0.216 178 A C 2.105 179.822 177.584 0.223 0.000 1.186 178 A CA 1.762 53.883 52.037 0.140 0.000 0.620 178 A CB -0.387 18.640 19.000 0.046 0.000 0.822 178 A HN 0.365 nan 8.150 nan 0.000 0.443 179 K N -0.151 120.436 120.400 0.312 0.000 2.103 179 K HA -0.072 4.251 4.320 0.004 0.000 0.207 179 K C 1.901 178.605 176.600 0.172 0.000 1.048 179 K CA 1.180 57.602 56.287 0.225 0.000 0.930 179 K CB -0.626 31.940 32.500 0.110 0.000 0.716 179 K HN 0.561 nan 8.250 nan 0.000 0.444 180 L N 0.538 121.884 121.223 0.204 0.000 2.109 180 L HA -0.110 4.233 4.340 0.004 0.000 0.207 180 L C 2.455 179.538 176.870 0.354 0.000 1.086 180 L CA 0.641 55.646 54.840 0.276 0.000 0.760 180 L CB -0.420 41.829 42.059 0.318 0.000 0.910 180 L HN 0.098 nan 8.230 nan 0.000 0.437 181 L N -0.569 120.776 121.223 0.203 0.000 2.079 181 L HA -0.270 4.072 4.340 0.004 0.000 0.210 181 L C 2.718 179.599 176.870 0.019 0.000 1.081 181 L CA 1.435 56.246 54.840 -0.049 0.000 0.752 181 L CB -0.446 41.526 42.059 -0.145 0.000 0.896 181 L HN 0.383 nan 8.230 nan 0.000 0.433 182 Q N -0.612 119.230 119.800 0.070 0.000 2.016 182 Q HA -0.239 4.104 4.340 0.004 0.000 0.200 182 Q C 2.241 178.284 176.000 0.071 0.000 0.978 182 Q CA 1.513 57.354 55.803 0.065 0.000 0.833 182 Q CB -0.099 28.693 28.738 0.091 0.000 0.895 182 Q HN 0.572 nan 8.270 nan 0.000 0.427 183 Q N -0.203 119.656 119.800 0.097 0.000 2.187 183 Q HA -0.038 4.305 4.340 0.004 0.000 0.199 183 Q C 1.911 177.969 176.000 0.095 0.000 0.957 183 Q CA 0.834 56.687 55.803 0.084 0.000 0.857 183 Q CB 0.233 29.017 28.738 0.078 0.000 0.929 183 Q HN 0.234 nan 8.270 nan 0.000 0.453 184 R N -0.551 120.040 120.500 0.151 0.000 2.167 184 R HA 0.180 4.522 4.340 0.004 0.000 0.201 184 R C 1.609 178.002 176.300 0.156 0.000 1.024 184 R CA 0.420 56.627 56.100 0.178 0.000 1.053 184 R CB 0.405 30.877 30.300 0.288 0.000 0.987 184 R HN 0.143 nan 8.270 nan 0.000 0.493 185 L N 0.621 121.913 121.223 0.115 0.000 2.693 185 L HA 0.216 4.558 4.340 0.004 0.000 0.235 185 L C -0.095 176.779 176.870 0.007 0.000 1.127 185 L CA -0.088 54.772 54.840 0.033 0.000 0.914 185 L CB 0.572 42.584 42.059 -0.078 0.000 1.193 185 L HN 0.055 nan 8.230 nan 0.000 0.502 186 S N 0.364 116.076 115.700 0.020 0.000 3.631 186 S HA -0.125 4.347 4.470 0.004 0.000 0.366 186 S C 0.302 174.896 174.600 -0.010 0.000 0.993 186 S CA -0.012 58.194 58.200 0.010 0.000 1.167 186 S CB -1.764 61.442 63.200 0.010 0.000 0.909 186 S HN 0.152 nan 8.310 nan 0.000 0.478 187 V N 1.839 121.739 119.914 -0.022 0.000 2.521 187 V HA 0.099 4.222 4.120 0.004 0.000 0.286 187 V C 1.504 177.583 176.094 -0.024 0.000 1.034 187 V CA 0.465 62.743 62.300 -0.036 0.000 1.045 187 V CB 1.442 33.229 31.823 -0.060 0.000 0.974 187 V HN 0.640 nan 8.190 nan 0.000 0.480 188 S N 3.581 119.260 115.700 -0.035 0.000 2.362 188 S HA 0.069 4.542 4.470 0.004 0.000 0.221 188 S C 0.643 175.216 174.600 -0.045 0.000 1.032 188 S CA 0.842 59.017 58.200 -0.042 0.000 0.973 188 S CB 0.044 63.209 63.200 -0.059 0.000 0.849 188 S HN 0.717 nan 8.310 nan 0.000 0.465 189 K N 0.784 121.149 120.400 -0.058 0.000 2.426 189 K HA 0.566 4.889 4.320 0.004 0.000 0.254 189 K C -1.490 175.166 176.600 0.094 0.000 0.936 189 K CA -0.153 56.117 56.287 -0.028 0.000 0.801 189 K CB 1.969 34.237 32.500 -0.387 0.000 1.139 189 K HN 0.098 nan 8.250 nan 0.000 0.424 190 I N 3.771 124.469 120.570 0.214 0.000 2.436 190 I HA 0.263 4.436 4.170 0.004 0.000 0.289 190 I C -1.002 175.205 176.117 0.150 0.000 1.010 190 I CA -1.174 60.193 61.300 0.112 0.000 1.098 190 I CB 1.624 39.593 38.000 -0.052 0.000 1.266 190 I HN 0.310 nan 8.210 nan 0.000 0.434 191 L N 8.161 129.453 121.223 0.114 0.000 2.275 191 L HA 0.573 4.916 4.340 0.004 0.000 0.288 191 L C -0.772 176.055 176.870 -0.071 0.000 1.046 191 L CA 0.046 54.880 54.840 -0.010 0.000 0.805 191 L CB 0.886 42.966 42.059 0.034 0.000 1.193 191 L HN 0.402 nan 8.230 nan 0.000 0.426 192 I N 6.110 126.620 120.570 -0.101 0.000 2.355 192 I HA 0.361 4.533 4.170 0.004 0.000 0.288 192 I C -0.712 175.343 176.117 -0.104 0.000 0.999 192 I CA -0.742 60.524 61.300 -0.058 0.000 1.163 192 I CB 1.660 39.687 38.000 0.046 0.000 1.316 192 I HN 0.268 nan 8.210 nan 0.000 0.454 193 V N 5.113 124.941 119.914 -0.144 0.000 2.472 193 V HA 0.349 4.471 4.120 0.004 0.000 0.290 193 V C -0.346 175.630 176.094 -0.197 0.000 1.037 193 V CA -0.402 61.791 62.300 -0.179 0.000 0.908 193 V CB 1.909 33.667 31.823 -0.110 0.000 0.985 193 V HN 0.627 nan 8.190 nan 0.000 0.454 194 D N 4.139 124.464 120.400 -0.125 0.000 2.440 194 D HA 0.245 4.887 4.640 0.004 0.000 0.252 194 D C -0.193 176.215 176.300 0.180 0.000 1.180 194 D CA -0.589 53.390 54.000 -0.035 0.000 0.894 194 D CB 1.281 42.158 40.800 0.127 0.000 1.111 194 D HN 0.606 nan 8.370 nan 0.000 0.544 195 W N 3.290 124.703 121.300 0.189 0.000 2.991 195 W HA 0.388 5.050 4.660 0.004 0.000 0.391 195 W C 0.107 176.815 176.519 0.314 0.000 1.054 195 W CA -0.964 56.584 57.345 0.338 0.000 1.856 195 W CB -0.757 28.977 29.460 0.457 0.000 1.132 195 W HN 0.114 nan 8.180 nan 0.000 0.601 196 D N 1.490 122.147 120.400 0.427 0.000 2.506 196 D HA -0.130 4.512 4.640 0.004 0.000 0.234 196 D C 1.306 177.889 176.300 0.471 0.000 1.143 196 D CA 0.434 54.635 54.000 0.334 0.000 0.871 196 D CB 2.268 43.135 40.800 0.112 0.000 1.190 196 D HN 0.039 nan 8.370 nan 0.000 0.459 197 V N 4.032 124.178 119.914 0.386 0.000 2.913 197 V HA -0.169 3.954 4.120 0.004 0.000 0.260 197 V C 0.250 176.548 176.094 0.340 0.000 1.098 197 V CA 1.500 63.983 62.300 0.305 0.000 1.121 197 V CB -0.543 31.296 31.823 0.026 0.000 0.714 197 V HN 0.481 nan 8.190 nan 0.000 0.487 198 H N -0.613 118.827 119.070 0.616 0.000 2.472 198 H HA 0.364 4.922 4.556 0.003 0.000 0.335 198 H C 0.243 175.891 175.328 0.533 0.000 1.136 198 H CA -0.553 55.884 56.048 0.647 0.000 1.264 198 H CB 0.478 30.651 29.762 0.686 0.000 1.486 198 H HN 0.331 nan 8.280 nan 0.000 0.517 199 H N 1.731 120.992 119.070 0.318 0.000 2.964 199 H HA 0.018 4.577 4.556 0.004 0.000 0.328 199 H C 0.348 175.723 175.328 0.078 0.000 1.030 199 H CA -0.106 55.898 56.048 -0.075 0.000 1.445 199 H CB 0.543 30.045 29.762 -0.432 0.000 1.449 199 H HN 0.951 nan 8.280 nan 0.000 0.581 200 G N 5.433 114.009 108.800 -0.375 0.000 3.101 200 G HA2 -0.118 3.845 3.960 0.004 0.000 0.272 200 G HA3 -0.118 3.845 3.960 0.004 0.000 0.272 200 G C 1.223 175.760 174.900 -0.604 0.000 0.801 200 G CA -0.362 44.537 45.100 -0.335 0.000 1.978 200 G HN 0.857 nan 8.290 nan 0.000 0.591 201 N N 1.526 119.916 118.700 -0.518 0.000 2.205 201 N HA -0.140 4.602 4.740 0.004 0.000 0.186 201 N C 2.029 177.399 175.510 -0.233 0.000 1.015 201 N CA 1.508 54.381 53.050 -0.295 0.000 0.862 201 N CB -0.413 38.017 38.487 -0.095 0.000 0.986 201 N HN 0.330 nan 8.380 nan 0.000 0.429 202 G N 0.322 108.995 108.800 -0.212 0.000 2.403 202 G HA2 -0.163 3.800 3.960 0.004 0.000 0.216 202 G HA3 -0.163 3.800 3.960 0.004 0.000 0.216 202 G C 1.485 176.260 174.900 -0.209 0.000 1.154 202 G CA 1.285 46.283 45.100 -0.170 0.000 0.784 202 G HN 0.425 nan 8.290 nan 0.000 0.538 203 T N 0.290 114.687 114.554 -0.263 0.000 2.857 203 T HA -0.093 4.259 4.350 0.004 0.000 0.266 203 T C 2.243 176.670 174.700 -0.454 0.000 1.048 203 T CA 1.399 63.321 62.100 -0.298 0.000 1.139 203 T CB -0.144 68.519 68.868 -0.342 0.000 0.874 203 T HN 0.442 nan 8.240 nan 0.000 0.455 204 Q N 1.000 120.420 119.800 -0.634 0.000 2.050 204 Q HA -0.199 4.144 4.340 0.004 0.000 0.202 204 Q C 2.455 178.420 176.000 -0.059 0.000 0.980 204 Q CA 1.458 57.084 55.803 -0.295 0.000 0.840 204 Q CB -0.165 28.561 28.738 -0.020 0.000 0.898 204 Q HN 0.582 nan 8.270 nan 0.000 0.424 205 Q N -0.371 119.330 119.800 -0.166 0.000 2.061 205 Q HA -0.212 4.130 4.340 0.004 0.000 0.204 205 Q C 1.962 177.877 176.000 -0.142 0.000 0.984 205 Q CA 1.634 57.341 55.803 -0.161 0.000 0.846 205 Q CB -0.283 28.345 28.738 -0.183 0.000 0.902 205 Q HN 0.524 nan 8.270 nan 0.000 0.421 206 A N -0.429 122.240 122.820 -0.251 0.000 1.978 206 A HA -0.129 4.193 4.320 0.004 0.000 0.220 206 A C 0.921 178.113 177.584 -0.653 0.000 1.170 206 A CA 1.180 52.909 52.037 -0.515 0.000 0.636 206 A CB -0.263 18.295 19.000 -0.737 0.000 0.810 206 A HN 0.474 nan 8.150 nan 0.000 0.448 207 F N -3.517 116.414 119.950 -0.031 0.000 2.791 207 F HA 0.278 4.807 4.527 0.004 0.000 0.316 207 F C 1.027 176.870 175.800 0.073 0.000 1.134 207 F CA -0.911 57.092 58.000 0.005 0.000 1.222 207 F CB -0.264 38.729 39.000 -0.011 0.000 1.034 207 F HN 0.281 nan 8.300 nan 0.000 0.516 208 Y N 0.878 121.215 120.300 0.063 0.000 2.352 208 Y HA -0.205 4.346 4.550 0.002 0.000 0.292 208 Y C 2.287 178.229 175.900 0.069 0.000 1.136 208 Y CA 1.549 59.690 58.100 0.069 0.000 1.227 208 Y CB 0.347 38.821 38.460 0.024 0.000 0.991 208 Y HN 0.154 nan 8.280 nan 0.000 0.545 209 S N -1.785 113.960 115.700 0.075 0.000 2.554 209 S HA 0.092 4.564 4.470 0.004 0.000 0.226 209 S C -0.311 174.287 174.600 -0.003 0.000 0.980 209 S CA -0.365 57.837 58.200 0.003 0.000 0.939 209 S CB 0.146 63.365 63.200 0.032 0.000 0.832 209 S HN 0.249 nan 8.310 nan 0.000 0.486 210 D N 2.838 123.257 120.400 0.030 0.000 2.392 210 D HA 0.383 5.025 4.640 0.004 0.000 0.228 210 D C -1.753 174.485 176.300 -0.104 0.000 1.074 210 D CA -2.327 51.680 54.000 0.011 0.000 0.838 210 D CB 2.037 42.917 40.800 0.133 0.000 1.067 210 D HN 0.018 nan 8.370 nan 0.000 0.511 211 P HA -0.048 nan 4.420 nan 0.000 0.236 211 P C 0.758 177.658 177.300 -0.666 0.000 1.177 211 P CA 0.386 62.972 63.100 -0.857 0.000 0.773 211 P CB 0.184 31.389 31.700 -0.826 0.000 0.878 212 S N -1.595 113.970 115.700 -0.226 0.000 2.593 212 S HA 0.126 4.598 4.470 0.004 0.000 0.217 212 S C 0.662 175.323 174.600 0.101 0.000 0.966 212 S CA -0.179 58.005 58.200 -0.028 0.000 0.914 212 S CB -0.540 62.647 63.200 -0.022 0.000 0.776 212 S HN -0.095 nan 8.310 nan 0.000 0.523 213 V N 2.526 122.437 119.914 -0.005 0.000 2.443 213 V HA 0.490 4.613 4.120 0.004 0.000 0.293 213 V C -0.825 175.185 176.094 -0.141 0.000 1.021 213 V CA -0.851 61.387 62.300 -0.103 0.000 0.848 213 V CB 1.507 33.106 31.823 -0.374 0.000 0.998 213 V HN 0.440 nan 8.190 nan 0.000 0.424 214 L N 6.253 127.280 121.223 -0.326 0.000 2.260 214 L HA 0.495 4.838 4.340 0.004 0.000 0.289 214 L C -0.904 175.864 176.870 -0.171 0.000 1.057 214 L CA -0.060 54.548 54.840 -0.388 0.000 0.811 214 L CB 0.591 42.009 42.059 -1.068 0.000 1.184 214 L HN 0.660 nan 8.230 nan 0.000 0.429 215 Y N 6.441 126.655 120.300 -0.144 0.000 2.331 215 Y HA 0.641 5.193 4.550 0.004 0.000 0.338 215 Y C -0.822 175.037 175.900 -0.069 0.000 0.976 215 Y CA -0.860 57.188 58.100 -0.086 0.000 1.137 215 Y CB 1.074 39.548 38.460 0.023 0.000 1.172 215 Y HN 0.590 nan 8.280 nan 0.000 0.478 216 M N 5.950 125.156 119.600 -0.656 0.000 2.190 216 M HA 0.305 4.788 4.480 0.004 0.000 0.312 216 M C -0.825 175.094 176.300 -0.635 0.000 0.990 216 M CA -0.616 54.346 55.300 -0.563 0.000 0.927 216 M CB 1.959 34.315 32.600 -0.407 0.000 1.571 216 M HN 0.549 nan 8.290 nan 0.000 0.427 217 S N 3.605 119.039 115.700 -0.443 0.000 2.478 217 S HA 0.739 5.211 4.470 0.004 0.000 0.312 217 S C -1.162 173.523 174.600 0.143 0.000 1.094 217 S CA -0.665 57.488 58.200 -0.079 0.000 1.081 217 S CB 0.749 64.049 63.200 0.167 0.000 1.007 217 S HN 0.583 nan 8.310 nan 0.000 0.475 218 L N 7.593 128.958 121.223 0.238 0.000 2.272 218 L HA 0.603 4.946 4.340 0.004 0.000 0.289 218 L C 0.276 177.436 176.870 0.483 0.000 1.032 218 L CA -0.188 54.781 54.840 0.215 0.000 0.810 218 L CB 1.006 43.211 42.059 0.244 0.000 1.205 218 L HN 0.730 nan 8.230 nan 0.000 0.422 219 H N 1.873 121.167 119.070 0.374 0.000 3.037 219 H HA 0.403 4.961 4.556 0.004 0.000 0.355 219 H C -0.997 174.649 175.328 0.530 0.000 1.263 219 H CA -1.190 55.148 56.048 0.483 0.000 1.129 219 H CB 1.225 31.266 29.762 0.465 0.000 1.861 219 H HN 0.503 nan 8.280 nan 0.000 0.546 220 R N 1.471 122.263 120.500 0.487 0.000 2.421 220 R HA 0.062 4.404 4.340 0.004 0.000 0.305 220 R C -0.583 175.966 176.300 0.415 0.000 1.039 220 R CA 0.199 56.432 56.100 0.222 0.000 1.003 220 R CB 0.102 30.038 30.300 -0.608 0.000 0.959 220 R HN 0.740 nan 8.270 nan 0.000 0.427 221 Y N 2.886 123.321 120.300 0.224 0.000 2.678 221 Y HA 0.080 4.631 4.550 0.001 0.000 0.274 221 Y C -0.100 175.923 175.900 0.205 0.000 1.114 221 Y CA 0.049 58.317 58.100 0.280 0.000 1.274 221 Y CB 0.891 39.458 38.460 0.178 0.000 1.438 221 Y HN 0.714 nan 8.280 nan 0.000 0.493 222 D N 2.809 123.224 120.400 0.025 0.000 2.697 222 D HA -0.212 4.431 4.640 0.004 0.000 0.238 222 D C -0.940 175.209 176.300 -0.251 0.000 1.152 222 D CA 1.552 55.515 54.000 -0.062 0.000 0.666 222 D CB -1.561 39.232 40.800 -0.011 0.000 1.037 222 D HN 0.565 nan 8.370 nan 0.000 0.423 223 D N -0.829 119.350 120.400 -0.368 0.000 2.704 223 D HA -0.164 4.479 4.640 0.004 0.000 0.232 223 D C 1.341 177.331 176.300 -0.517 0.000 1.183 223 D CA 1.960 55.741 54.000 -0.365 0.000 0.647 223 D CB -1.303 39.457 40.800 -0.067 0.000 1.013 223 D HN 0.899 nan 8.370 nan 0.000 0.415 224 G N 0.209 108.331 108.800 -1.131 0.000 2.143 224 G HA2 -0.345 3.618 3.960 0.004 0.000 0.249 224 G HA3 -0.345 3.618 3.960 0.004 0.000 0.249 224 G C 0.534 175.324 174.900 -0.183 0.000 0.981 224 G CA 0.201 44.999 45.100 -0.503 0.000 0.665 224 G HN 0.453 nan 8.290 nan 0.000 0.528 225 N N -0.317 118.297 118.700 -0.142 0.000 2.376 225 N HA 0.397 5.140 4.740 0.004 0.000 0.249 225 N C -0.784 174.848 175.510 0.205 0.000 1.140 225 N CA 0.182 53.248 53.050 0.028 0.000 0.870 225 N CB 0.248 38.750 38.487 0.025 0.000 1.124 225 N HN 0.392 nan 8.380 nan 0.000 0.505 226 F N 0.199 120.161 119.950 0.021 0.000 2.608 226 F HA 0.336 4.864 4.527 0.003 0.000 0.309 226 F C -0.779 175.149 175.800 0.213 0.000 1.103 226 F CA -1.524 56.560 58.000 0.140 0.000 0.954 226 F CB 1.086 40.180 39.000 0.156 0.000 1.267 226 F HN -0.131 nan 8.300 nan 0.000 0.444 227 F N 7.796 127.483 119.950 -0.438 0.000 2.607 227 F HA 0.277 4.807 4.527 0.006 0.000 0.374 227 F C -1.467 174.343 175.800 0.016 0.000 1.104 227 F CA -1.136 56.714 58.000 -0.250 0.000 1.296 227 F CB 0.880 39.646 39.000 -0.391 0.000 1.085 227 F HN 0.317 nan 8.300 nan 0.000 0.584 228 P HA 0.185 nan 4.420 nan 0.000 0.255 228 P C 0.684 177.733 177.300 -0.417 0.000 1.248 228 P CA 1.216 63.576 63.100 -1.234 0.000 0.807 228 P CB 0.530 31.506 31.700 -1.207 0.000 1.150 229 G N -0.165 108.573 108.800 -0.103 0.000 2.195 229 G HA2 -0.203 3.759 3.960 0.004 0.000 0.224 229 G HA3 -0.203 3.759 3.960 0.004 0.000 0.224 229 G C 0.332 175.312 174.900 0.132 0.000 0.990 229 G CA 0.227 45.341 45.100 0.024 0.000 0.639 229 G HN 0.604 nan 8.290 nan 0.000 0.514 230 S N -0.818 114.934 115.700 0.087 0.000 2.758 230 S HA 0.751 5.223 4.470 0.004 0.000 0.292 230 S C 1.175 175.589 174.600 -0.310 0.000 1.131 230 S CA 0.286 58.489 58.200 0.005 0.000 0.997 230 S CB 1.813 65.034 63.200 0.035 0.000 1.111 230 S HN 2.196 nan 8.310 nan 0.000 0.552 231 G N -0.639 107.724 108.800 -0.727 0.000 2.203 231 G HA2 0.214 4.176 3.960 0.004 0.000 0.231 231 G HA3 0.214 4.176 3.960 0.004 0.000 0.231 231 G C 0.179 174.694 174.900 -0.642 0.000 1.058 231 G CA -0.286 44.163 45.100 -1.084 0.000 0.781 231 G HN 1.395 nan 8.290 nan 0.000 0.496 232 A N 0.146 122.584 122.820 -0.636 0.000 2.462 232 A HA 0.673 4.995 4.320 0.004 0.000 0.243 232 A C -0.033 177.376 177.584 -0.293 0.000 1.076 232 A CA -0.224 51.416 52.037 -0.662 0.000 0.773 232 A CB 0.476 19.346 19.000 -0.218 0.000 1.010 232 A HN 0.135 nan 8.150 nan 0.000 0.493 233 P HA -0.176 nan 4.420 nan 0.000 0.218 233 P C 0.614 177.930 177.300 0.027 0.000 1.146 233 P CA 1.712 64.772 63.100 -0.066 0.000 0.813 233 P CB 0.040 31.707 31.700 -0.055 0.000 0.778 234 D N -0.845 119.562 120.400 0.012 0.000 2.349 234 D HA -0.089 4.553 4.640 0.004 0.000 0.224 234 D C 0.158 176.499 176.300 0.069 0.000 1.029 234 D CA 0.259 54.283 54.000 0.040 0.000 0.879 234 D CB -0.943 39.879 40.800 0.038 0.000 0.906 234 D HN 0.172 nan 8.370 nan 0.000 0.528 235 E N 0.435 120.689 120.200 0.091 0.000 1.865 235 E HA 0.147 4.500 4.350 0.004 0.000 0.269 235 E C 1.018 177.754 176.600 0.227 0.000 1.177 235 E CA -0.309 56.210 56.400 0.198 0.000 0.932 235 E CB 1.197 31.008 29.700 0.185 0.000 1.066 235 E HN 0.216 nan 8.360 nan 0.000 0.405 236 V N 0.461 120.436 119.914 0.103 0.000 3.660 236 V HA 0.504 4.626 4.120 0.004 0.000 0.276 236 V C 0.798 176.768 176.094 -0.207 0.000 1.317 236 V CA 0.456 62.734 62.300 -0.037 0.000 1.097 236 V CB -0.166 31.509 31.823 -0.247 0.000 0.863 236 V HN 0.607 nan 8.190 nan 0.000 0.438 237 G N -0.743 107.808 108.800 -0.415 0.000 2.343 237 G HA2 0.318 4.280 3.960 0.004 0.000 0.465 237 G HA3 0.318 4.280 3.960 0.004 0.000 0.465 237 G C -0.660 173.852 174.900 -0.646 0.000 1.282 237 G CA -0.032 44.495 45.100 -0.955 0.000 0.996 237 G HN 0.725 nan 8.290 nan 0.000 0.521 238 T N -1.114 113.143 114.554 -0.494 0.000 2.883 238 T HA 0.761 5.113 4.350 0.004 0.000 0.301 238 T C 1.153 175.801 174.700 -0.087 0.000 1.158 238 T CA 1.707 63.718 62.100 -0.148 0.000 1.007 238 T CB 0.966 69.859 68.868 0.042 0.000 1.186 238 T HN 2.761 nan 8.240 nan 0.000 0.499 239 G N 4.167 112.947 108.800 -0.033 0.000 2.634 239 G HA2 -0.223 3.739 3.960 0.004 0.000 0.309 239 G HA3 -0.223 3.739 3.960 0.004 0.000 0.309 239 G C -1.619 173.269 174.900 -0.020 0.000 1.265 239 G CA 0.448 45.538 45.100 -0.017 0.000 0.998 239 G HN 0.711 nan 8.290 nan 0.000 0.551 240 P HA 0.101 nan 4.420 nan 0.000 0.222 240 P C 1.715 179.022 177.300 0.012 0.000 1.147 240 P CA 1.957 65.053 63.100 -0.006 0.000 0.790 240 P CB -0.441 31.243 31.700 -0.027 0.000 0.780 241 G N -0.407 108.382 108.800 -0.017 0.000 2.848 241 G HA2 -0.017 3.946 3.960 0.004 0.000 0.208 241 G HA3 -0.017 3.946 3.960 0.004 0.000 0.208 241 G C 0.384 175.305 174.900 0.034 0.000 1.152 241 G CA -0.116 44.996 45.100 0.020 0.000 0.789 241 G HN 0.150 nan 8.290 nan 0.000 0.531 242 V N 1.025 120.891 119.914 -0.079 0.000 2.539 242 V HA 0.361 4.484 4.120 0.004 0.000 0.300 242 V C 1.655 177.465 176.094 -0.473 0.000 1.019 242 V CA 1.747 63.884 62.300 -0.271 0.000 1.160 242 V CB 0.327 32.018 31.823 -0.219 0.000 0.901 242 V HN 0.756 nan 8.190 nan 0.000 0.481 243 G N 4.722 113.056 108.800 -0.776 0.000 2.195 243 G HA2 -0.284 3.678 3.960 0.004 0.000 0.246 243 G HA3 -0.284 3.678 3.960 0.004 0.000 0.246 243 G C 0.248 174.939 174.900 -0.348 0.000 0.984 243 G CA 0.294 44.820 45.100 -0.957 0.000 0.633 243 G HN 0.655 nan 8.290 nan 0.000 0.525 244 F N 1.497 121.428 119.950 -0.033 0.000 2.639 244 F HA 0.401 4.930 4.527 0.002 0.000 0.300 244 F C 1.010 176.843 175.800 0.055 0.000 1.109 244 F CA -0.231 57.824 58.000 0.092 0.000 1.335 244 F CB 0.615 39.624 39.000 0.016 0.000 1.014 244 F HN 0.140 nan 8.300 nan 0.000 0.537 245 N N 1.019 119.835 118.700 0.193 0.000 2.448 245 N HA 0.354 5.096 4.740 0.004 0.000 0.279 245 N C -1.718 173.920 175.510 0.213 0.000 1.025 245 N CA -0.003 53.181 53.050 0.224 0.000 0.898 245 N CB 2.002 40.632 38.487 0.238 0.000 1.303 245 N HN -0.193 nan 8.380 nan 0.000 0.495 246 V N 3.739 123.670 119.914 0.029 0.000 2.325 246 V HA 0.308 4.430 4.120 0.004 0.000 0.280 246 V C -0.240 175.787 176.094 -0.111 0.000 1.016 246 V CA -0.842 61.346 62.300 -0.188 0.000 0.818 246 V CB 0.769 32.273 31.823 -0.531 0.000 1.019 246 V HN 0.592 nan 8.190 nan 0.000 0.434 247 N N 4.373 123.079 118.700 0.010 0.000 2.645 247 N HA 0.292 5.035 4.740 0.004 0.000 0.233 247 N C 0.092 175.507 175.510 -0.159 0.000 1.058 247 N CA -0.593 52.477 53.050 0.032 0.000 0.942 247 N CB 0.786 39.326 38.487 0.088 0.000 1.210 247 N HN 0.622 nan 8.380 nan 0.000 0.512 248 M N 3.480 122.927 119.600 -0.255 0.000 3.268 248 M HA 0.206 4.689 4.480 0.004 0.000 0.249 248 M C -0.472 175.433 176.300 -0.657 0.000 1.527 248 M CA -0.579 54.461 55.300 -0.434 0.000 1.645 248 M CB -0.799 31.543 32.600 -0.430 0.000 1.193 248 M HN 0.352 nan 8.290 nan 0.000 0.534 249 A N 4.076 126.536 122.820 -0.600 0.000 2.309 249 A HA 0.522 4.845 4.320 0.004 0.000 0.290 249 A C -0.828 176.522 177.584 -0.390 0.000 1.206 249 A CA -0.454 51.212 52.037 -0.618 0.000 0.850 249 A CB -0.216 18.522 19.000 -0.437 0.000 1.118 249 A HN 0.684 nan 8.150 nan 0.000 0.523 250 F N 1.887 121.789 119.950 -0.079 0.000 2.410 250 F HA 0.424 4.954 4.527 0.005 0.000 0.348 250 F C 1.041 176.902 175.800 0.103 0.000 1.106 250 F CA 0.629 58.643 58.000 0.023 0.000 1.163 250 F CB 1.770 40.818 39.000 0.080 0.000 1.129 250 F HN 0.488 nan 8.300 nan 0.000 0.516 251 T N 1.103 115.813 114.554 0.261 0.000 2.916 251 T HA 0.609 4.962 4.350 0.004 0.000 0.292 251 T C 0.474 175.258 174.700 0.139 0.000 1.055 251 T CA -0.093 62.117 62.100 0.182 0.000 1.009 251 T CB 1.740 70.701 68.868 0.155 0.000 1.118 251 T HN 0.844 nan 8.240 nan 0.000 0.497 252 G N 0.198 109.056 108.800 0.096 0.000 2.229 252 G HA2 0.287 4.249 3.960 0.004 0.000 0.189 252 G HA3 0.287 4.249 3.960 0.004 0.000 0.189 252 G C 0.754 175.690 174.900 0.061 0.000 1.000 252 G CA 0.356 45.498 45.100 0.070 0.000 0.663 252 G HN 1.768 nan 8.290 nan 0.000 0.493 253 G N -0.284 108.559 108.800 0.072 0.000 2.512 253 G HA2 -0.087 3.876 3.960 0.004 0.000 0.254 253 G HA3 -0.087 3.876 3.960 0.004 0.000 0.254 253 G C 0.302 175.251 174.900 0.083 0.000 1.199 253 G CA 0.062 45.199 45.100 0.062 0.000 0.941 253 G HN 1.247 nan 8.290 nan 0.000 0.569 254 L N 0.912 122.176 121.223 0.069 0.000 3.096 254 L HA 0.439 4.781 4.340 0.004 0.000 0.247 254 L C -0.079 176.815 176.870 0.039 0.000 1.321 254 L CA 0.008 54.891 54.840 0.071 0.000 1.044 254 L CB 0.558 42.665 42.059 0.080 0.000 1.434 254 L HN 0.451 nan 8.230 nan 0.000 0.533 255 D N 1.730 122.145 120.400 0.026 0.000 2.607 255 D HA 0.268 4.910 4.640 0.004 0.000 0.318 255 D C -2.238 174.063 176.300 0.000 0.000 1.212 255 D CA -1.367 52.641 54.000 0.015 0.000 0.861 255 D CB 1.245 42.057 40.800 0.020 0.000 1.064 255 D HN 0.070 nan 8.370 nan 0.000 0.500 256 P HA 0.502 nan 4.420 nan 0.000 0.287 256 P C -2.822 174.454 177.300 -0.040 0.000 1.296 256 P CA -1.777 61.311 63.100 -0.021 0.000 0.811 256 P CB 0.206 31.885 31.700 -0.034 0.000 1.211 257 P HA 0.101 nan 4.420 nan 0.000 0.267 257 P C 0.062 177.208 177.300 -0.256 0.000 1.200 257 P CA 0.281 63.357 63.100 -0.041 0.000 0.772 257 P CB 0.051 31.779 31.700 0.046 0.000 0.855 258 M N 1.749 120.947 119.600 -0.671 0.000 2.245 258 M HA 0.351 4.833 4.480 0.004 0.000 0.344 258 M C 1.048 177.026 176.300 -0.536 0.000 1.170 258 M CA 0.504 55.303 55.300 -0.834 0.000 1.135 258 M CB -0.389 31.263 32.600 -1.580 0.000 1.574 258 M HN 0.516 nan 8.290 nan 0.000 0.452 259 G N 1.459 110.048 108.800 -0.352 0.000 3.166 259 G HA2 0.415 4.378 3.960 0.004 0.000 0.267 259 G HA3 0.415 4.378 3.960 0.004 0.000 0.267 259 G C -0.006 174.750 174.900 -0.241 0.000 1.256 259 G CA -0.409 44.533 45.100 -0.263 0.000 0.859 259 G HN 0.517 nan 8.290 nan 0.000 0.590 260 D N 0.218 120.489 120.400 -0.215 0.000 2.092 260 D HA -0.117 4.525 4.640 0.004 0.000 0.193 260 D C 2.729 178.949 176.300 -0.132 0.000 0.994 260 D CA 1.861 55.735 54.000 -0.211 0.000 0.828 260 D CB -0.588 40.090 40.800 -0.203 0.000 0.963 260 D HN 0.387 nan 8.370 nan 0.000 0.450 261 A N 0.739 123.491 122.820 -0.112 0.000 1.948 261 A HA -0.251 4.071 4.320 0.004 0.000 0.220 261 A C 2.090 179.654 177.584 -0.032 0.000 1.177 261 A CA 1.958 53.949 52.037 -0.076 0.000 0.636 261 A CB -0.552 18.404 19.000 -0.074 0.000 0.815 261 A HN 0.140 nan 8.150 nan 0.000 0.449 262 E N -1.459 118.723 120.200 -0.030 0.000 2.107 262 E HA -0.078 4.274 4.350 0.004 0.000 0.191 262 E C 1.699 178.378 176.600 0.131 0.000 0.982 262 E CA 1.200 57.610 56.400 0.017 0.000 0.809 262 E CB -0.381 29.252 29.700 -0.112 0.000 0.756 262 E HN 0.814 nan 8.360 nan 0.000 0.459 263 Y N 0.095 120.347 120.300 -0.080 0.000 2.263 263 Y HA -0.064 4.489 4.550 0.004 0.000 0.292 263 Y C 1.924 177.829 175.900 0.009 0.000 1.130 263 Y CA 0.528 58.635 58.100 0.012 0.000 1.179 263 Y CB 0.051 38.413 38.460 -0.163 0.000 0.998 263 Y HN -0.019 nan 8.280 nan 0.000 0.532 264 L N -0.882 120.375 121.223 0.057 0.000 2.083 264 L HA -0.242 4.100 4.340 0.004 0.000 0.209 264 L C 2.626 179.542 176.870 0.077 0.000 1.083 264 L CA 1.081 55.924 54.840 0.006 0.000 0.752 264 L CB -0.643 41.374 42.059 -0.070 0.000 0.899 264 L HN 0.212 nan 8.230 nan 0.000 0.433 265 A N -0.176 122.682 122.820 0.064 0.000 1.929 265 A HA -0.070 4.252 4.320 0.004 0.000 0.216 265 A C 2.520 180.144 177.584 0.066 0.000 1.176 265 A CA 1.428 53.497 52.037 0.054 0.000 0.628 265 A CB -0.591 18.430 19.000 0.036 0.000 0.816 265 A HN 0.370 nan 8.150 nan 0.000 0.444 266 A N -1.372 121.507 122.820 0.098 0.000 1.930 266 A HA 0.033 4.355 4.320 0.004 0.000 0.217 266 A C 1.910 179.531 177.584 0.062 0.000 1.175 266 A CA 1.376 53.436 52.037 0.039 0.000 0.627 266 A CB -0.643 18.363 19.000 0.010 0.000 0.815 266 A HN 0.429 nan 8.150 nan 0.000 0.443 267 F N -0.151 119.774 119.950 -0.042 0.000 2.146 267 F HA -0.037 4.492 4.527 0.004 0.000 0.298 267 F C 2.422 178.201 175.800 -0.035 0.000 1.096 267 F CA 1.547 59.532 58.000 -0.026 0.000 1.275 267 F CB -0.252 38.756 39.000 0.015 0.000 1.008 267 F HN 0.224 nan 8.300 nan 0.000 0.480 268 R N -0.103 120.480 120.500 0.139 0.000 2.092 268 R HA -0.135 4.208 4.340 0.004 0.000 0.231 268 R C 2.047 178.346 176.300 -0.002 0.000 1.119 268 R CA 2.049 58.185 56.100 0.060 0.000 0.970 268 R CB -0.415 29.914 30.300 0.050 0.000 0.864 268 R HN 0.393 nan 8.270 nan 0.000 0.440 269 T N -3.394 111.146 114.554 -0.023 0.000 3.039 269 T HA 0.129 4.481 4.350 0.004 0.000 0.250 269 T C 1.631 176.267 174.700 -0.107 0.000 1.052 269 T CA 0.556 62.624 62.100 -0.053 0.000 1.125 269 T CB 0.417 69.259 68.868 -0.044 0.000 0.908 269 T HN 0.053 nan 8.240 nan 0.000 0.473 270 V N 0.283 120.102 119.914 -0.158 0.000 2.950 270 V HA 0.181 4.303 4.120 0.004 0.000 0.231 270 V C 2.654 178.542 176.094 -0.343 0.000 1.205 270 V CA 0.339 62.492 62.300 -0.246 0.000 1.239 270 V CB 0.194 31.858 31.823 -0.266 0.000 1.050 270 V HN 0.261 nan 8.190 nan 0.000 0.498 271 V N 0.180 119.853 119.914 -0.401 0.000 2.229 271 V HA -0.240 3.883 4.120 0.004 0.000 0.243 271 V C 2.559 178.383 176.094 -0.449 0.000 1.042 271 V CA 2.058 64.024 62.300 -0.557 0.000 1.000 271 V CB -0.578 30.628 31.823 -1.029 0.000 0.637 271 V HN 0.370 nan 8.190 nan 0.000 0.446 272 M N -0.705 118.686 119.600 -0.349 0.000 2.132 272 M HA -0.045 4.437 4.480 0.004 0.000 0.263 272 M C 0.139 176.353 176.300 -0.143 0.000 1.065 272 M CA 1.870 57.060 55.300 -0.183 0.000 1.122 272 M CB -2.544 30.032 32.600 -0.041 0.000 1.365 272 M HN 0.265 nan 8.290 nan 0.000 0.411 273 P HA -0.102 nan 4.420 nan 0.000 0.214 273 P C 1.859 179.049 177.300 -0.182 0.000 1.163 273 P CA 1.343 64.371 63.100 -0.120 0.000 0.883 273 P CB -0.132 31.503 31.700 -0.108 0.000 0.788 274 I N -0.805 119.554 120.570 -0.351 0.000 2.226 274 I HA -0.235 3.937 4.170 0.004 0.000 0.245 274 I C 2.330 178.154 176.117 -0.488 0.000 1.100 274 I CA 1.474 62.386 61.300 -0.646 0.000 1.374 274 I CB -0.773 36.610 38.000 -1.028 0.000 1.057 274 I HN -0.095 nan 8.210 nan 0.000 0.413 275 A N 0.039 122.661 122.820 -0.330 0.000 1.933 275 A HA -0.172 4.151 4.320 0.004 0.000 0.218 275 A C 2.476 180.068 177.584 0.014 0.000 1.175 275 A CA 2.058 54.009 52.037 -0.143 0.000 0.628 275 A CB -0.601 18.306 19.000 -0.155 0.000 0.814 275 A HN 0.384 nan 8.150 nan 0.000 0.444 276 S N -0.735 114.953 115.700 -0.020 0.000 2.368 276 S HA -0.151 4.322 4.470 0.004 0.000 0.224 276 S C 1.935 176.579 174.600 0.074 0.000 1.029 276 S CA 1.309 59.527 58.200 0.029 0.000 0.988 276 S CB -0.241 62.965 63.200 0.011 0.000 0.838 276 S HN 0.751 nan 8.310 nan 0.000 0.462 277 E N 0.421 120.675 120.200 0.090 0.000 2.031 277 E HA -0.190 4.163 4.350 0.004 0.000 0.193 277 E C 1.845 178.620 176.600 0.290 0.000 0.994 277 E CA 1.126 57.641 56.400 0.192 0.000 0.800 277 E CB -0.236 29.634 29.700 0.283 0.000 0.752 277 E HN 0.460 nan 8.360 nan 0.000 0.447 278 F N 1.121 121.186 119.950 0.191 0.000 2.120 278 F HA -0.135 4.394 4.527 0.005 0.000 0.300 278 F C 0.942 176.832 175.800 0.150 0.000 1.095 278 F CA 1.588 59.746 58.000 0.263 0.000 1.249 278 F CB -0.338 38.784 39.000 0.204 0.000 0.995 278 F HN 0.127 nan 8.300 nan 0.000 0.480 279 A N 0.089 122.955 122.820 0.077 0.000 2.360 279 A HA -0.164 4.158 4.320 0.004 0.000 0.289 279 A C -2.265 175.227 177.584 -0.153 0.000 1.437 279 A CA 0.348 52.363 52.037 -0.037 0.000 0.734 279 A CB -2.717 16.252 19.000 -0.051 0.000 1.145 279 A HN 0.371 nan 8.150 nan 0.000 0.374 280 P HA 0.275 nan 4.420 nan 0.000 0.274 280 P C 0.188 177.481 177.300 -0.011 0.000 1.237 280 P CA -0.105 63.001 63.100 0.011 0.000 0.793 280 P CB 0.714 32.563 31.700 0.247 0.000 0.977 281 D N -0.495 119.893 120.400 -0.020 0.000 2.301 281 D HA 0.084 4.726 4.640 0.004 0.000 0.206 281 D C 0.301 176.599 176.300 -0.003 0.000 0.979 281 D CA 1.010 54.998 54.000 -0.020 0.000 0.874 281 D CB 0.559 41.336 40.800 -0.038 0.000 0.968 281 D HN 0.114 nan 8.370 nan 0.000 0.510 282 V N 1.022 120.940 119.914 0.007 0.000 2.888 282 V HA 0.300 4.423 4.120 0.004 0.000 0.309 282 V C -0.405 175.698 176.094 0.015 0.000 1.114 282 V CA -0.892 61.408 62.300 -0.000 0.000 0.940 282 V CB 3.048 34.850 31.823 -0.035 0.000 1.021 282 V HN -0.279 nan 8.190 nan 0.000 0.426 283 V N 5.013 124.933 119.914 0.010 0.000 2.409 283 V HA 0.536 4.659 4.120 0.004 0.000 0.291 283 V C -0.424 175.654 176.094 -0.028 0.000 1.020 283 V CA -0.432 61.869 62.300 0.002 0.000 0.848 283 V CB 1.567 33.403 31.823 0.023 0.000 0.990 283 V HN 0.627 nan 8.190 nan 0.000 0.430 284 L N 5.270 126.461 121.223 -0.055 0.000 2.329 284 L HA 0.701 5.043 4.340 0.004 0.000 0.279 284 L C -0.718 176.070 176.870 -0.137 0.000 1.014 284 L CA -0.842 53.950 54.840 -0.080 0.000 0.814 284 L CB 2.091 44.111 42.059 -0.066 0.000 1.257 284 L HN 0.341 nan 8.230 nan 0.000 0.424 285 V N 1.485 121.276 119.914 -0.206 0.000 2.409 285 V HA 0.232 4.354 4.120 0.004 0.000 0.291 285 V C 0.215 176.073 176.094 -0.392 0.000 1.020 285 V CA -0.474 61.598 62.300 -0.380 0.000 0.848 285 V CB 1.732 33.201 31.823 -0.591 0.000 0.990 285 V HN 0.759 nan 8.190 nan 0.000 0.430 286 S N 3.078 118.554 115.700 -0.373 0.000 2.701 286 S HA 0.091 4.563 4.470 0.004 0.000 0.317 286 S C 0.626 174.895 174.600 -0.552 0.000 1.149 286 S CA 0.121 58.099 58.200 -0.370 0.000 1.052 286 S CB 0.281 63.331 63.200 -0.249 0.000 1.257 286 S HN 0.759 nan 8.310 nan 0.000 0.532 287 S N 3.985 119.350 115.700 -0.559 0.000 3.489 287 S HA 0.432 4.905 4.470 0.004 0.000 0.227 287 S C 0.606 174.855 174.600 -0.585 0.000 1.360 287 S CA -0.810 57.042 58.200 -0.579 0.000 0.934 287 S CB -0.456 62.534 63.200 -0.350 0.000 1.410 287 S HN 0.746 nan 8.310 nan 0.000 0.483 288 G N 1.897 110.475 108.800 -0.369 0.000 2.395 288 G HA2 0.519 4.482 3.960 0.004 0.000 0.283 288 G HA3 0.519 4.482 3.960 0.004 0.000 0.283 288 G C -0.250 174.404 174.900 -0.411 0.000 1.178 288 G CA -0.611 44.296 45.100 -0.322 0.000 0.837 288 G HN 0.702 nan 8.290 nan 0.000 0.518 289 F N 0.314 120.228 119.950 -0.061 0.000 2.772 289 F HA 0.150 4.679 4.527 0.005 0.000 0.302 289 F C 1.130 176.721 175.800 -0.348 0.000 1.136 289 F CA -0.673 57.151 58.000 -0.294 0.000 1.322 289 F CB 0.935 39.750 39.000 -0.309 0.000 0.967 289 F HN 0.474 nan 8.300 nan 0.000 0.513 290 D N -0.018 120.269 120.400 -0.188 0.000 2.363 290 D HA -0.029 4.614 4.640 0.004 0.000 0.226 290 D C 1.706 177.844 176.300 -0.270 0.000 1.020 290 D CA 0.466 54.157 54.000 -0.514 0.000 0.892 290 D CB -0.135 40.600 40.800 -0.108 0.000 0.900 290 D HN 0.242 nan 8.370 nan 0.000 0.531 291 A N 0.280 123.095 122.820 -0.009 0.000 2.132 291 A HA 0.206 4.528 4.320 0.004 0.000 0.213 291 A C 1.034 178.701 177.584 0.139 0.000 1.154 291 A CA -0.184 51.922 52.037 0.114 0.000 0.753 291 A CB -0.041 19.071 19.000 0.185 0.000 0.826 291 A HN 0.141 nan 8.150 nan 0.000 0.469 292 V N 1.481 121.491 119.914 0.159 0.000 2.740 292 V HA 0.023 4.146 4.120 0.004 0.000 0.303 292 V C 0.688 176.930 176.094 0.248 0.000 1.054 292 V CA -0.367 62.059 62.300 0.211 0.000 1.106 292 V CB 0.606 32.543 31.823 0.190 0.000 0.957 292 V HN 0.683 nan 8.190 nan 0.000 0.486 293 E N 2.912 123.189 120.200 0.127 0.000 2.568 293 E HA 0.205 4.558 4.350 0.004 0.000 0.262 293 E C 1.114 177.734 176.600 0.033 0.000 0.961 293 E CA 1.052 57.500 56.400 0.079 0.000 0.945 293 E CB 0.029 29.743 29.700 0.023 0.000 0.924 293 E HN 1.049 nan 8.360 nan 0.000 0.467 294 G N 3.636 112.426 108.800 -0.017 0.000 2.184 294 G HA2 -0.211 3.752 3.960 0.004 0.000 0.206 294 G HA3 -0.211 3.752 3.960 0.004 0.000 0.206 294 G C -0.576 174.131 174.900 -0.322 0.000 0.995 294 G CA 0.097 45.098 45.100 -0.166 0.000 0.651 294 G HN 0.699 nan 8.290 nan 0.000 0.511 295 H N 2.001 121.048 119.070 -0.038 0.000 2.673 295 H HA 0.479 5.038 4.556 0.004 0.000 0.293 295 H C -2.121 173.271 175.328 0.106 0.000 1.065 295 H CA -1.417 54.612 56.048 -0.032 0.000 1.236 295 H CB 1.595 31.274 29.762 -0.139 0.000 1.389 295 H HN 0.181 nan 8.280 nan 0.000 0.481 296 P HA 0.011 nan 4.420 nan 0.000 0.271 296 P C 1.102 178.531 177.300 0.214 0.000 1.233 296 P CA -0.111 63.104 63.100 0.191 0.000 0.789 296 P CB 0.696 32.496 31.700 0.166 0.000 0.951 297 T N -0.121 114.532 114.554 0.166 0.000 3.098 297 T HA -0.030 4.323 4.350 0.004 0.000 0.266 297 T C -0.514 174.320 174.700 0.222 0.000 1.145 297 T CA 1.177 63.375 62.100 0.162 0.000 1.092 297 T CB -1.536 nan 68.868 nan 0.000 0.908 297 T HN 0.401 nan 8.240 nan 0.000 0.526 298 P HA 0.193 nan 4.420 nan 0.000 0.216 298 P C 0.485 177.999 177.300 0.358 0.000 1.151 298 P CA 0.188 63.465 63.100 0.293 0.000 0.863 298 P CB 0.179 31.979 31.700 0.167 0.000 0.790 299 L N -0.028 121.389 121.223 0.323 0.000 2.719 299 L HA 0.527 4.869 4.340 0.004 0.000 0.236 299 L C 1.025 178.206 176.870 0.518 0.000 1.285 299 L CA -0.103 54.989 54.840 0.420 0.000 1.222 299 L CB -0.302 41.951 42.059 0.322 0.000 1.493 299 L HN 0.228 nan 8.230 nan 0.000 0.415 300 G N -0.613 108.444 108.800 0.427 0.000 2.181 300 G HA2 0.247 4.210 3.960 0.004 0.000 0.098 300 G HA3 0.247 4.210 3.960 0.004 0.000 0.098 300 G C 0.354 175.289 174.900 0.059 0.000 1.237 300 G CA 0.014 45.247 45.100 0.222 0.000 1.238 300 G HN 0.470 nan 8.290 nan 0.000 0.468 301 G N -1.478 107.367 108.800 0.075 0.000 2.231 301 G HA2 -0.125 3.837 3.960 0.004 0.000 0.206 301 G HA3 -0.125 3.837 3.960 0.004 0.000 0.206 301 G C 0.398 175.402 174.900 0.174 0.000 0.996 301 G CA 0.613 45.746 45.100 0.056 0.000 0.645 301 G HN 1.139 nan 8.290 nan 0.000 0.498 302 Y N 0.025 120.330 120.300 0.008 0.000 2.488 302 Y HA 0.493 5.046 4.550 0.004 0.000 0.325 302 Y C 1.145 177.024 175.900 -0.036 0.000 1.204 302 Y CA -0.711 57.359 58.100 -0.050 0.000 1.229 302 Y CB 1.250 39.649 38.460 -0.101 0.000 1.274 302 Y HN 0.066 nan 8.280 nan 0.000 0.493 303 N N 1.165 119.908 118.700 0.072 0.000 2.401 303 N HA 0.186 4.929 4.740 0.004 0.000 0.264 303 N C -1.226 174.254 175.510 -0.051 0.000 1.238 303 N CA -0.298 52.756 53.050 0.008 0.000 0.889 303 N CB 0.429 38.903 38.487 -0.022 0.000 1.196 303 N HN 0.219 nan 8.380 nan 0.000 0.511 304 L N 1.393 122.571 121.223 -0.074 0.000 2.483 304 L HA 0.061 4.404 4.340 0.004 0.000 0.275 304 L C 1.014 177.864 176.870 -0.034 0.000 1.220 304 L CA 0.347 55.106 54.840 -0.136 0.000 0.833 304 L CB 0.493 42.417 42.059 -0.226 0.000 1.102 304 L HN 0.187 nan 8.230 nan 0.000 0.490 305 S N 1.182 116.844 115.700 -0.064 0.000 2.610 305 S HA 0.559 5.032 4.470 0.004 0.000 0.273 305 S C 0.956 175.596 174.600 0.068 0.000 1.274 305 S CA -0.277 57.914 58.200 -0.016 0.000 1.023 305 S CB 1.417 64.587 63.200 -0.050 0.000 0.962 305 S HN 0.707 nan 8.310 nan 0.000 0.523 306 A N 1.904 124.760 122.820 0.060 0.000 1.930 306 A HA -0.056 4.266 4.320 0.004 0.000 0.217 306 A C 2.232 179.869 177.584 0.089 0.000 1.175 306 A CA 1.381 53.459 52.037 0.069 0.000 0.627 306 A CB -0.809 18.141 19.000 -0.084 0.000 0.815 306 A HN 0.958 nan 8.150 nan 0.000 0.443 307 R N -0.609 119.915 120.500 0.040 0.000 2.117 307 R HA -0.219 4.124 4.340 0.004 0.000 0.243 307 R C 2.256 178.632 176.300 0.127 0.000 1.143 307 R CA 1.840 57.983 56.100 0.073 0.000 0.968 307 R CB -0.877 29.459 30.300 0.059 0.000 0.863 307 R HN 0.595 nan 8.270 nan 0.000 0.444 308 C N 0.206 119.504 119.300 -0.003 0.000 2.403 308 C HA -0.129 4.334 4.460 0.004 0.000 0.277 308 C C 2.341 177.190 174.990 -0.235 0.000 1.248 308 C CA 0.747 59.670 59.018 -0.158 0.000 1.762 308 C CB -1.341 26.173 27.740 -0.377 0.000 2.014 308 C HN 0.598 nan 8.230 nan 0.000 0.486 309 F N 1.145 120.987 119.950 -0.180 0.000 2.293 309 F HA 0.098 4.627 4.527 0.004 0.000 0.300 309 F C 2.521 178.242 175.800 -0.132 0.000 1.086 309 F CA 1.452 59.287 58.000 -0.275 0.000 1.375 309 F CB -0.860 38.036 39.000 -0.173 0.000 1.045 309 F HN 0.342 nan 8.300 nan 0.000 0.516 310 G N -1.136 107.714 108.800 0.083 0.000 2.422 310 G HA2 -0.277 3.685 3.960 0.004 0.000 0.218 310 G HA3 -0.277 3.685 3.960 0.004 0.000 0.218 310 G C 1.326 176.134 174.900 -0.153 0.000 1.146 310 G CA 0.755 45.834 45.100 -0.036 0.000 0.769 310 G HN 0.334 nan 8.290 nan 0.000 0.547 311 Y N 0.341 120.589 120.300 -0.086 0.000 2.286 311 Y HA 0.161 4.714 4.550 0.004 0.000 0.293 311 Y C 2.741 178.563 175.900 -0.131 0.000 1.124 311 Y CA 0.519 58.558 58.100 -0.101 0.000 1.178 311 Y CB -0.134 38.245 38.460 -0.135 0.000 1.010 311 Y HN 0.057 nan 8.280 nan 0.000 0.536 312 L N -1.110 120.032 121.223 -0.136 0.000 2.093 312 L HA -0.198 4.144 4.340 0.004 0.000 0.208 312 L C 2.251 179.196 176.870 0.126 0.000 1.085 312 L CA 1.530 56.188 54.840 -0.304 0.000 0.755 312 L CB -0.979 40.593 42.059 -0.811 0.000 0.904 312 L HN 0.188 nan 8.230 nan 0.000 0.435 313 T N -0.367 114.317 114.554 0.217 0.000 2.652 313 T HA -0.265 4.087 4.350 0.004 0.000 0.267 313 T C 1.943 176.772 174.700 0.215 0.000 1.039 313 T CA 1.584 63.901 62.100 0.361 0.000 1.153 313 T CB -0.151 68.914 68.868 0.329 0.000 0.863 313 T HN 0.223 nan 8.240 nan 0.000 0.428 314 K N 0.623 121.084 120.400 0.102 0.000 2.103 314 K HA -0.145 4.177 4.320 0.004 0.000 0.207 314 K C 2.538 179.204 176.600 0.109 0.000 1.048 314 K CA 1.212 57.534 56.287 0.058 0.000 0.930 314 K CB -0.046 32.428 32.500 -0.044 0.000 0.716 314 K HN 0.394 nan 8.250 nan 0.000 0.444 315 Q N 0.267 120.159 119.800 0.153 0.000 2.050 315 Q HA -0.160 4.182 4.340 0.004 0.000 0.202 315 Q C 2.236 178.369 176.000 0.220 0.000 0.980 315 Q CA 1.384 57.307 55.803 0.200 0.000 0.840 315 Q CB -0.091 28.818 28.738 0.286 0.000 0.898 315 Q HN 0.386 nan 8.270 nan 0.000 0.424 316 L N 0.031 121.424 121.223 0.284 0.000 2.141 316 L HA -0.137 4.205 4.340 0.004 0.000 0.209 316 L C 2.398 179.362 176.870 0.156 0.000 1.094 316 L CA 0.656 55.640 54.840 0.241 0.000 0.763 316 L CB -0.288 41.955 42.059 0.307 0.000 0.908 316 L HN 0.307 nan 8.230 nan 0.000 0.437 317 M N -0.540 119.146 119.600 0.144 0.000 2.435 317 M HA -0.125 4.357 4.480 0.004 0.000 0.262 317 M C 1.992 178.342 176.300 0.083 0.000 1.065 317 M CA 1.479 56.839 55.300 0.100 0.000 1.076 317 M CB -0.631 32.019 32.600 0.084 0.000 1.403 317 M HN 0.312 nan 8.290 nan 0.000 0.454 318 G N 0.045 108.899 108.800 0.090 0.000 2.679 318 G HA2 0.180 4.142 3.960 0.004 0.000 0.212 318 G HA3 0.180 4.142 3.960 0.004 0.000 0.212 318 G C 0.312 175.252 174.900 0.067 0.000 1.137 318 G CA 0.229 45.374 45.100 0.074 0.000 0.787 318 G HN 0.174 nan 8.290 nan 0.000 0.534 319 L N -1.820 119.446 121.223 0.072 0.000 2.313 319 L HA 0.692 5.034 4.340 0.004 0.000 0.268 319 L C 1.196 178.099 176.870 0.056 0.000 1.010 319 L CA 0.140 55.017 54.840 0.062 0.000 0.814 319 L CB 1.644 43.743 42.059 0.067 0.000 1.304 319 L HN 0.171 nan 8.230 nan 0.000 0.441 320 A N 1.187 124.034 122.820 0.046 0.000 2.798 320 A HA -0.024 4.299 4.320 0.004 0.000 0.282 320 A C 1.441 179.050 177.584 0.041 0.000 1.464 320 A CA 1.441 53.501 52.037 0.037 0.000 0.844 320 A CB -2.271 16.752 19.000 0.038 0.000 1.006 320 A HN 2.022 nan 8.150 nan 0.000 0.577 321 G N -2.592 106.236 108.800 0.046 0.000 2.166 321 G HA2 0.205 4.168 3.960 0.004 0.000 0.260 321 G HA3 0.205 4.168 3.960 0.004 0.000 0.260 321 G C 1.199 176.140 174.900 0.068 0.000 0.986 321 G CA 1.035 46.169 45.100 0.056 0.000 0.683 321 G HN 2.922 nan 8.290 nan 0.000 0.527 322 G N -1.425 107.411 108.800 0.060 0.000 2.157 322 G HA2 -0.248 3.715 3.960 0.004 0.000 0.239 322 G HA3 -0.248 3.715 3.960 0.004 0.000 0.239 322 G C 0.341 175.268 174.900 0.045 0.000 0.982 322 G CA 0.670 45.803 45.100 0.054 0.000 0.650 322 G HN 0.988 nan 8.290 nan 0.000 0.527 323 R N 0.221 120.750 120.500 0.048 0.000 2.609 323 R HA 0.513 4.856 4.340 0.004 0.000 0.271 323 R C -0.095 176.221 176.300 0.027 0.000 1.403 323 R CA 0.113 56.235 56.100 0.036 0.000 1.138 323 R CB 0.051 30.370 30.300 0.031 0.000 1.142 323 R HN 0.472 nan 8.270 nan 0.000 0.559 324 I N 1.849 122.436 120.570 0.029 0.000 2.533 324 I HA 0.329 4.502 4.170 0.004 0.000 0.290 324 I C -1.186 174.950 176.117 0.032 0.000 1.056 324 I CA -1.003 60.316 61.300 0.033 0.000 1.057 324 I CB 2.055 40.092 38.000 0.061 0.000 1.240 324 I HN 0.063 nan 8.210 nan 0.000 0.423 325 V N 7.697 127.617 119.914 0.009 0.000 2.531 325 V HA 0.439 4.562 4.120 0.004 0.000 0.301 325 V C -0.547 175.515 176.094 -0.053 0.000 1.034 325 V CA -0.609 61.692 62.300 0.002 0.000 0.865 325 V CB 1.700 33.521 31.823 -0.003 0.000 0.995 325 V HN 0.451 nan 8.190 nan 0.000 0.424 326 L N 4.059 125.244 121.223 -0.063 0.000 2.307 326 L HA 0.833 5.176 4.340 0.004 0.000 0.282 326 L C 0.387 176.992 176.870 -0.442 0.000 1.051 326 L CA 0.057 54.765 54.840 -0.220 0.000 0.804 326 L CB 1.574 43.603 42.059 -0.051 0.000 1.197 326 L HN 0.803 nan 8.230 nan 0.000 0.431 327 A N 3.237 125.804 122.820 -0.422 0.000 2.335 327 A HA 0.620 4.943 4.320 0.004 0.000 0.304 327 A C -0.950 176.406 177.584 -0.380 0.000 1.118 327 A CA -0.674 51.137 52.037 -0.377 0.000 0.757 327 A CB 0.929 19.809 19.000 -0.200 0.000 1.188 327 A HN 0.583 nan 8.150 nan 0.000 0.460 328 L N 2.365 123.383 121.223 -0.341 0.000 2.540 328 L HA 0.171 4.513 4.340 0.004 0.000 0.276 328 L C 0.699 177.486 176.870 -0.138 0.000 1.212 328 L CA 1.171 55.908 54.840 -0.172 0.000 0.893 328 L CB -0.027 42.059 42.059 0.045 0.000 1.138 328 L HN 0.848 nan 8.230 nan 0.000 0.491 329 E N 3.141 123.231 120.200 -0.184 0.000 3.880 329 E HA 0.401 4.754 4.350 0.004 0.000 0.303 329 E C 0.232 176.810 176.600 -0.037 0.000 0.829 329 E CA 0.170 56.473 56.400 -0.162 0.000 1.350 329 E CB -0.515 28.942 29.700 -0.405 0.000 2.520 329 E HN 0.688 nan 8.360 nan 0.000 0.506 330 G N -0.754 108.041 108.800 -0.009 0.000 2.531 330 G HA2 0.476 4.438 3.960 0.004 0.000 0.281 330 G HA3 0.476 4.438 3.960 0.004 0.000 0.281 330 G C -0.020 174.938 174.900 0.098 0.000 1.382 330 G CA 0.131 45.303 45.100 0.120 0.000 1.045 330 G HN 0.550 nan 8.290 nan 0.000 0.533 331 G N -2.659 106.218 108.800 0.129 0.000 2.907 331 G HA2 0.203 4.166 3.960 0.004 0.000 0.686 331 G HA3 0.203 4.166 3.960 0.004 0.000 0.686 331 G C -0.271 174.772 174.900 0.239 0.000 1.115 331 G CA 0.508 45.630 45.100 0.037 0.000 0.760 331 G HN 1.956 nan 8.290 nan 0.000 0.620 332 Y N -0.438 120.075 120.300 0.356 0.000 2.438 332 Y HA 0.471 5.023 4.550 0.004 0.000 0.274 332 Y C 0.631 176.632 175.900 0.169 0.000 1.085 332 Y CA -0.042 58.188 58.100 0.216 0.000 1.199 332 Y CB 0.204 38.742 38.460 0.129 0.000 1.317 332 Y HN 0.628 nan 8.280 nan 0.000 0.545 333 D N 2.434 122.775 120.400 -0.099 0.000 2.363 333 D HA 0.096 4.739 4.640 0.004 0.000 0.263 333 D C 1.097 177.378 176.300 -0.032 0.000 1.258 333 D CA 0.184 54.072 54.000 -0.186 0.000 0.907 333 D CB 0.808 41.201 40.800 -0.677 0.000 1.107 333 D HN 0.349 nan 8.370 nan 0.000 0.495 334 L N 2.801 124.033 121.223 0.016 0.000 2.012 334 L HA -0.210 4.132 4.340 0.004 0.000 0.210 334 L C 2.328 179.191 176.870 -0.011 0.000 1.073 334 L CA 1.214 56.071 54.840 0.028 0.000 0.748 334 L CB -0.714 41.367 42.059 0.036 0.000 0.891 334 L HN 0.536 nan 8.230 nan 0.000 0.431 335 T N -0.051 114.480 114.554 -0.037 0.000 2.684 335 T HA -0.215 4.138 4.350 0.004 0.000 0.267 335 T C 2.007 176.662 174.700 -0.075 0.000 1.036 335 T CA 1.458 63.525 62.100 -0.056 0.000 1.148 335 T CB -0.315 68.518 68.868 -0.057 0.000 0.863 335 T HN 0.469 nan 8.240 nan 0.000 0.436 336 A N 1.935 124.709 122.820 -0.077 0.000 1.883 336 A HA -0.083 4.240 4.320 0.004 0.000 0.217 336 A C 2.358 179.873 177.584 -0.116 0.000 1.186 336 A CA 1.845 53.846 52.037 -0.061 0.000 0.624 336 A CB -0.869 18.142 19.000 0.020 0.000 0.822 336 A HN 0.736 nan 8.150 nan 0.000 0.444 337 I N -2.827 117.710 120.570 -0.055 0.000 2.439 337 I HA -0.175 3.997 4.170 0.004 0.000 0.251 337 I C 2.238 178.232 176.117 -0.205 0.000 1.139 337 I CA 1.488 62.727 61.300 -0.101 0.000 1.438 337 I CB -0.865 37.218 38.000 0.138 0.000 1.085 337 I HN 0.253 nan 8.210 nan 0.000 0.427 338 C N 1.718 120.942 119.300 -0.127 0.000 2.466 338 C HA -0.085 4.378 4.460 0.004 0.000 0.278 338 C C 2.412 177.279 174.990 -0.205 0.000 1.288 338 C CA 0.948 59.883 59.018 -0.138 0.000 1.722 338 C CB -1.050 26.640 27.740 -0.084 0.000 2.017 338 C HN 0.560 nan 8.230 nan 0.000 0.488 339 D N 1.226 121.508 120.400 -0.197 0.000 2.097 339 D HA -0.085 4.557 4.640 0.004 0.000 0.195 339 D C 2.296 178.423 176.300 -0.287 0.000 0.989 339 D CA 1.810 55.692 54.000 -0.196 0.000 0.827 339 D CB -0.529 40.186 40.800 -0.142 0.000 0.966 339 D HN 0.481 nan 8.370 nan 0.000 0.456 340 A N 0.367 122.903 122.820 -0.474 0.000 1.898 340 A HA -0.128 4.195 4.320 0.004 0.000 0.216 340 A C 2.402 179.525 177.584 -0.769 0.000 1.181 340 A CA 1.810 53.383 52.037 -0.774 0.000 0.620 340 A CB -0.559 17.494 19.000 -1.579 0.000 0.819 340 A HN 0.167 nan 8.150 nan 0.000 0.442 341 S N -0.579 114.678 115.700 -0.738 0.000 2.368 341 S HA -0.182 4.290 4.470 0.004 0.000 0.225 341 S C 1.938 176.277 174.600 -0.434 0.000 1.030 341 S CA 1.357 59.261 58.200 -0.494 0.000 0.999 341 S CB -0.302 62.706 63.200 -0.319 0.000 0.844 341 S HN 0.734 nan 8.310 nan 0.000 0.459 342 E N 1.309 121.313 120.200 -0.326 0.000 2.058 342 E HA -0.186 4.166 4.350 0.004 0.000 0.194 342 E C 2.163 178.641 176.600 -0.203 0.000 0.997 342 E CA 1.114 57.365 56.400 -0.250 0.000 0.801 342 E CB -0.254 29.329 29.700 -0.195 0.000 0.746 342 E HN 0.485 nan 8.360 nan 0.000 0.450 343 A N 0.406 123.119 122.820 -0.179 0.000 1.902 343 A HA -0.188 4.134 4.320 0.004 0.000 0.217 343 A C 2.490 180.027 177.584 -0.078 0.000 1.181 343 A CA 1.420 53.389 52.037 -0.114 0.000 0.623 343 A CB -0.880 18.078 19.000 -0.071 0.000 0.818 343 A HN 0.515 nan 8.150 nan 0.000 0.443 344 C N -1.317 117.952 119.300 -0.050 0.000 2.462 344 C HA -0.053 4.409 4.460 0.004 0.000 0.278 344 C C 2.751 177.739 174.990 -0.003 0.000 1.253 344 C CA 1.094 60.159 59.018 0.078 0.000 1.713 344 C CB -1.165 26.747 27.740 0.287 0.000 2.049 344 C HN 0.460 nan 8.230 nan 0.000 0.477 345 V N 0.857 120.672 119.914 -0.164 0.000 2.515 345 V HA -0.181 3.941 4.120 0.004 0.000 0.250 345 V C 2.429 178.464 176.094 -0.098 0.000 1.058 345 V CA 2.229 64.440 62.300 -0.149 0.000 1.064 345 V CB -0.829 30.834 31.823 -0.266 0.000 0.675 345 V HN 0.557 nan 8.190 nan 0.000 0.461 346 S N 0.495 116.128 115.700 -0.113 0.000 2.368 346 S HA -0.178 4.294 4.470 0.004 0.000 0.225 346 S C 2.259 176.811 174.600 -0.080 0.000 1.030 346 S CA 1.471 59.612 58.200 -0.098 0.000 0.999 346 S CB -0.490 62.645 63.200 -0.109 0.000 0.844 346 S HN 0.662 nan 8.310 nan 0.000 0.459 347 A N 1.392 124.169 122.820 -0.072 0.000 1.902 347 A HA 0.004 4.326 4.320 0.004 0.000 0.217 347 A C 2.115 179.689 177.584 -0.017 0.000 1.181 347 A CA 1.115 53.116 52.037 -0.060 0.000 0.623 347 A CB -0.726 18.247 19.000 -0.045 0.000 0.818 347 A HN 0.449 nan 8.150 nan 0.000 0.443 348 L N -0.841 120.389 121.223 0.012 0.000 2.083 348 L HA -0.142 4.200 4.340 0.004 0.000 0.209 348 L C 2.266 179.128 176.870 -0.014 0.000 1.083 348 L CA 0.928 55.782 54.840 0.024 0.000 0.752 348 L CB -0.410 41.686 42.059 0.062 0.000 0.899 348 L HN 0.350 nan 8.230 nan 0.000 0.433 349 L N -0.388 120.816 121.223 -0.031 0.000 2.551 349 L HA 0.015 4.358 4.340 0.004 0.000 0.228 349 L C 1.442 178.289 176.870 -0.038 0.000 1.153 349 L CA 0.649 55.464 54.840 -0.041 0.000 0.851 349 L CB -0.500 41.528 42.059 -0.051 0.000 0.959 349 L HN 0.512 nan 8.230 nan 0.000 0.451 350 G N -0.287 108.491 108.800 -0.036 0.000 2.147 350 G HA2 -0.260 3.702 3.960 0.004 0.000 0.244 350 G HA3 -0.260 3.702 3.960 0.004 0.000 0.244 350 G C 0.044 174.919 174.900 -0.041 0.000 1.005 350 G CA -0.116 44.965 45.100 -0.032 0.000 0.713 350 G HN 0.345 nan 8.290 nan 0.000 0.515 351 N N 0.609 119.276 118.700 -0.054 0.000 2.482 351 N HA 0.312 5.054 4.740 0.004 0.000 0.260 351 N C 0.359 175.827 175.510 -0.071 0.000 1.236 351 N CA -0.148 52.867 53.050 -0.058 0.000 0.938 351 N CB 0.669 39.116 38.487 -0.066 0.000 1.128 351 N HN 0.548 nan 8.380 nan 0.000 0.448 352 E N 1.447 121.612 120.200 -0.058 0.000 2.299 352 E HA 0.070 4.423 4.350 0.004 0.000 0.272 352 E C -0.421 176.133 176.600 -0.075 0.000 1.043 352 E CA -0.292 56.074 56.400 -0.056 0.000 0.895 352 E CB 0.345 30.027 29.700 -0.031 0.000 1.011 352 E HN 0.337 nan 8.360 nan 0.000 0.432 353 L N 4.119 125.270 121.223 -0.121 0.000 2.397 353 L HA 0.131 4.473 4.340 0.004 0.000 0.271 353 L C 0.530 177.392 176.870 -0.014 0.000 1.148 353 L CA -0.474 54.269 54.840 -0.161 0.000 0.825 353 L CB 0.627 42.382 42.059 -0.506 0.000 1.117 353 L HN 0.477 nan 8.230 nan 0.000 0.456 354 D N 3.642 124.055 120.400 0.022 0.000 2.434 354 D HA 0.085 4.727 4.640 0.004 0.000 0.252 354 D C -2.114 174.292 176.300 0.177 0.000 1.185 354 D CA -0.626 53.415 54.000 0.070 0.000 0.886 354 D CB 0.784 41.607 40.800 0.038 0.000 1.148 354 D HN 0.214 nan 8.370 nan 0.000 0.483 355 P HA 0.003 nan 4.420 nan 0.000 0.265 355 P C 0.146 177.446 177.300 0.000 0.000 1.193 355 P CA -0.087 63.077 63.100 0.106 0.000 0.765 355 P CB 0.600 32.323 31.700 0.037 0.000 0.823 356 L N 5.419 126.538 121.223 -0.173 0.000 2.483 356 L HA 0.136 4.478 4.340 0.004 0.000 0.276 356 L C -1.637 175.148 176.870 -0.141 0.000 1.213 356 L CA -1.532 53.163 54.840 -0.242 0.000 0.843 356 L CB -0.581 41.214 42.059 -0.441 0.000 1.107 356 L HN 0.297 nan 8.230 nan 0.000 0.487 357 P HA -0.045 nan 4.420 nan 0.000 0.265 357 P C 0.316 177.563 177.300 -0.088 0.000 1.193 357 P CA -0.048 63.002 63.100 -0.084 0.000 0.765 357 P CB 0.641 32.296 31.700 -0.076 0.000 0.823 358 E N 4.354 124.514 120.200 -0.067 0.000 2.114 358 E HA -0.301 4.052 4.350 0.004 0.000 0.199 358 E C 1.728 178.292 176.600 -0.061 0.000 1.008 358 E CA 2.069 58.434 56.400 -0.059 0.000 0.810 358 E CB -0.367 29.307 29.700 -0.043 0.000 0.739 358 E HN 0.444 nan 8.360 nan 0.000 0.456 359 K N -0.358 120.007 120.400 -0.058 0.000 2.034 359 K HA -0.206 4.116 4.320 0.004 0.000 0.214 359 K C 2.010 178.569 176.600 -0.068 0.000 1.051 359 K CA 2.039 58.292 56.287 -0.056 0.000 0.931 359 K CB -0.309 32.159 32.500 -0.053 0.000 0.715 359 K HN 0.137 nan 8.250 nan 0.000 0.446 360 V N 1.644 121.507 119.914 -0.086 0.000 2.295 360 V HA -0.237 3.885 4.120 0.004 0.000 0.246 360 V C 2.329 178.362 176.094 -0.102 0.000 1.049 360 V CA 1.728 63.966 62.300 -0.103 0.000 1.024 360 V CB -0.381 31.361 31.823 -0.136 0.000 0.648 360 V HN 0.344 nan 8.190 nan 0.000 0.447 361 L N -0.379 120.781 121.223 -0.105 0.000 2.191 361 L HA -0.178 4.165 4.340 0.004 0.000 0.212 361 L C 2.380 179.210 176.870 -0.066 0.000 1.103 361 L CA 1.380 56.163 54.840 -0.094 0.000 0.769 361 L CB -0.498 41.505 42.059 -0.092 0.000 0.908 361 L HN 0.412 nan 8.230 nan 0.000 0.438 362 Q N -0.569 119.196 119.800 -0.058 0.000 2.319 362 Q HA 0.034 4.377 4.340 0.004 0.000 0.202 362 Q C 0.560 176.534 176.000 -0.043 0.000 0.896 362 Q CA -0.050 55.726 55.803 -0.045 0.000 0.942 362 Q CB 0.575 29.290 28.738 -0.039 0.000 1.083 362 Q HN 0.480 nan 8.270 nan 0.000 0.510 363 Q N 1.595 121.364 119.800 -0.051 0.000 2.296 363 Q HA 0.132 4.475 4.340 0.004 0.000 0.262 363 Q C -0.641 175.334 176.000 -0.041 0.000 0.981 363 Q CA -0.118 55.657 55.803 -0.047 0.000 0.905 363 Q CB 0.684 29.388 28.738 -0.058 0.000 1.186 363 Q HN 0.083 nan 8.270 nan 0.000 0.399 364 R N 4.562 125.042 120.500 -0.033 0.000 2.438 364 R HA 0.262 4.604 4.340 0.004 0.000 0.287 364 R C -2.191 174.092 176.300 -0.029 0.000 1.077 364 R CA -1.637 54.447 56.100 -0.027 0.000 1.034 364 R CB 0.206 30.494 30.300 -0.021 0.000 0.993 364 R HN 0.522 nan 8.270 nan 0.000 0.459 365 P HA -0.031 nan 4.420 nan 0.000 0.269 365 P C -0.884 176.404 177.300 -0.020 0.000 1.209 365 P CA -0.367 62.719 63.100 -0.022 0.000 0.776 365 P CB 0.413 32.112 31.700 -0.001 0.000 0.876 366 N N 1.064 119.745 118.700 -0.032 0.000 2.340 366 N HA 0.106 4.849 4.740 0.004 0.000 0.236 366 N C 1.057 176.564 175.510 -0.005 0.000 1.296 366 N CA 0.075 53.109 53.050 -0.025 0.000 0.896 366 N CB -0.101 38.361 38.487 -0.042 0.000 1.127 366 N HN 0.327 nan 8.380 nan 0.000 0.442 367 A N 1.347 124.166 122.820 -0.001 0.000 1.933 367 A HA -0.222 4.101 4.320 0.004 0.000 0.218 367 A C 1.803 179.401 177.584 0.022 0.000 1.175 367 A CA 1.626 53.668 52.037 0.009 0.000 0.628 367 A CB -1.216 17.789 19.000 0.007 0.000 0.814 367 A HN 0.879 nan 8.150 nan 0.000 0.444 368 N N 0.060 118.775 118.700 0.026 0.000 2.120 368 N HA -0.062 4.681 4.740 0.004 0.000 0.188 368 N C 1.953 177.515 175.510 0.088 0.000 1.024 368 N CA 1.097 54.178 53.050 0.050 0.000 0.852 368 N CB -0.255 38.260 38.487 0.047 0.000 1.003 368 N HN 0.502 nan 8.380 nan 0.000 0.424 369 A N 0.748 123.621 122.820 0.088 0.000 1.877 369 A HA -0.097 4.226 4.320 0.004 0.000 0.216 369 A C 2.391 180.038 177.584 0.104 0.000 1.186 369 A CA 1.172 53.313 52.037 0.173 0.000 0.620 369 A CB -0.859 18.212 19.000 0.120 0.000 0.822 369 A HN 0.097 nan 8.150 nan 0.000 0.443 370 V N -0.083 119.862 119.914 0.052 0.000 2.332 370 V HA -0.283 3.840 4.120 0.004 0.000 0.248 370 V C 2.645 178.748 176.094 0.014 0.000 1.055 370 V CA 2.347 64.661 62.300 0.024 0.000 1.038 370 V CB -0.810 31.021 31.823 0.013 0.000 0.651 370 V HN 0.560 nan 8.190 nan 0.000 0.450 371 R N -0.223 120.290 120.500 0.023 0.000 2.091 371 R HA -0.155 4.187 4.340 0.004 0.000 0.238 371 R C 2.587 178.890 176.300 0.006 0.000 1.136 371 R CA 1.857 57.968 56.100 0.018 0.000 0.959 371 R CB -0.298 30.019 30.300 0.028 0.000 0.856 371 R HN 0.516 nan 8.270 nan 0.000 0.437 372 S N 0.419 116.126 115.700 0.011 0.000 2.368 372 S HA -0.125 4.348 4.470 0.004 0.000 0.224 372 S C 1.887 176.414 174.600 -0.122 0.000 1.029 372 S CA 1.305 59.477 58.200 -0.047 0.000 0.988 372 S CB -0.072 63.102 63.200 -0.044 0.000 0.838 372 S HN 0.284 nan 8.310 nan 0.000 0.462 373 M N 1.040 120.575 119.600 -0.108 0.000 2.132 373 M HA -0.110 4.373 4.480 0.004 0.000 0.263 373 M C 2.199 178.453 176.300 -0.076 0.000 1.065 373 M CA 1.352 56.578 55.300 -0.123 0.000 1.122 373 M CB -0.452 32.101 32.600 -0.079 0.000 1.365 373 M HN 0.303 nan 8.290 nan 0.000 0.411 374 E N 0.225 120.400 120.200 -0.042 0.000 2.106 374 E HA -0.209 4.143 4.350 0.004 0.000 0.192 374 E C 1.993 178.582 176.600 -0.018 0.000 0.984 374 E CA 1.029 57.414 56.400 -0.024 0.000 0.806 374 E CB -0.075 29.617 29.700 -0.012 0.000 0.750 374 E HN 0.377 nan 8.360 nan 0.000 0.458 375 K N 0.825 121.213 120.400 -0.020 0.000 2.057 375 K HA -0.153 4.169 4.320 0.004 0.000 0.207 375 K C 2.053 178.652 176.600 -0.002 0.000 1.049 375 K CA 1.195 57.477 56.287 -0.009 0.000 0.931 375 K CB 0.052 32.549 32.500 -0.006 0.000 0.714 375 K HN -0.038 nan 8.250 nan 0.000 0.440 376 V N 1.422 121.319 119.914 -0.028 0.000 2.358 376 V HA -0.267 3.855 4.120 0.004 0.000 0.246 376 V C 2.394 178.522 176.094 0.057 0.000 1.047 376 V CA 1.872 64.173 62.300 0.002 0.000 1.035 376 V CB -0.367 31.393 31.823 -0.105 0.000 0.658 376 V HN 0.393 nan 8.190 nan 0.000 0.452 377 M N -0.387 119.215 119.600 0.003 0.000 2.080 377 M HA -0.243 4.240 4.480 0.004 0.000 0.260 377 M C 2.288 178.617 176.300 0.049 0.000 1.068 377 M CA 2.228 57.541 55.300 0.022 0.000 1.109 377 M CB -0.521 32.072 32.600 -0.012 0.000 1.342 377 M HN 0.417 nan 8.290 nan 0.000 0.405 378 E N 1.076 121.289 120.200 0.023 0.000 2.049 378 E HA -0.238 4.114 4.350 0.004 0.000 0.198 378 E C 1.805 178.407 176.600 0.003 0.000 1.007 378 E CA 1.752 58.157 56.400 0.007 0.000 0.809 378 E CB -0.162 29.537 29.700 -0.002 0.000 0.749 378 E HN 0.471 nan 8.360 nan 0.000 0.450 379 I N 0.378 120.963 120.570 0.026 0.000 2.163 379 I HA -0.294 3.879 4.170 0.004 0.000 0.243 379 I C 2.281 178.377 176.117 -0.036 0.000 1.085 379 I CA 1.324 62.622 61.300 -0.003 0.000 1.347 379 I CB -0.335 37.688 38.000 0.038 0.000 1.044 379 I HN 0.289 nan 8.210 nan 0.000 0.408 380 H N -0.168 118.970 119.070 0.113 0.000 2.539 380 H HA 0.072 4.631 4.556 0.005 0.000 0.267 380 H C 2.304 177.752 175.328 0.200 0.000 0.982 380 H CA 0.957 57.172 56.048 0.277 0.000 1.146 380 H CB 0.281 30.222 29.762 0.297 0.000 1.382 380 H HN 0.380 nan 8.280 nan 0.000 0.577 381 S N 0.444 116.211 115.700 0.113 0.000 2.474 381 S HA -0.127 4.345 4.470 0.004 0.000 0.235 381 S C 1.934 176.465 174.600 -0.114 0.000 0.997 381 S CA 0.721 58.941 58.200 0.034 0.000 0.949 381 S CB 0.021 63.221 63.200 0.000 0.000 0.766 381 S HN 0.288 nan 8.310 nan 0.000 0.517 382 K N 0.220 120.424 120.400 -0.325 0.000 2.283 382 K HA -0.043 4.280 4.320 0.004 0.000 0.202 382 K C 0.561 176.707 176.600 -0.757 0.000 1.048 382 K CA 1.186 57.088 56.287 -0.642 0.000 0.948 382 K CB -0.093 31.792 32.500 -1.025 0.000 0.742 382 K HN 0.680 nan 8.250 nan 0.000 0.458 383 Y N -2.753 117.441 120.300 -0.178 0.000 2.471 383 Y HA 0.229 4.781 4.550 0.003 0.000 0.249 383 Y C -0.622 174.841 175.900 -0.729 0.000 1.116 383 Y CA -1.088 56.725 58.100 -0.478 0.000 1.240 383 Y CB 0.581 38.654 38.460 -0.645 0.000 1.251 383 Y HN -0.039 nan 8.280 nan 0.000 0.527 384 W N 0.689 122.015 121.300 0.044 0.000 2.715 384 W HA 0.502 5.164 4.660 0.003 0.000 0.331 384 W C 0.758 177.277 176.519 0.001 0.000 1.031 384 W CA -0.942 56.417 57.345 0.023 0.000 1.237 384 W CB 1.099 30.575 29.460 0.027 0.000 1.378 384 W HN -0.253 nan 8.180 nan 0.000 0.454 385 R N 1.048 121.669 120.500 0.203 0.000 2.105 385 R HA -0.173 4.169 4.340 0.004 0.000 0.239 385 R C 1.961 178.329 176.300 0.112 0.000 1.135 385 R CA 2.069 58.238 56.100 0.115 0.000 0.967 385 R CB -0.591 29.763 30.300 0.090 0.000 0.861 385 R HN 0.729 nan 8.270 nan 0.000 0.442 386 C N -0.567 118.820 119.300 0.145 0.000 2.422 386 C HA 0.051 4.514 4.460 0.004 0.000 0.286 386 C C 2.021 177.049 174.990 0.063 0.000 1.412 386 C CA 0.198 59.267 59.018 0.085 0.000 1.786 386 C CB -1.004 26.772 27.740 0.061 0.000 1.835 386 C HN 0.348 nan 8.230 nan 0.000 0.533 387 L N -0.165 121.114 121.223 0.093 0.000 2.616 387 L HA 0.133 4.476 4.340 0.004 0.000 0.229 387 L C 2.620 179.516 176.870 0.044 0.000 1.110 387 L CA 0.400 55.278 54.840 0.064 0.000 0.884 387 L CB -0.446 41.669 42.059 0.094 0.000 1.115 387 L HN 0.341 nan 8.230 nan 0.000 0.481 388 Q N 0.105 119.931 119.800 0.043 0.000 2.354 388 Q HA -0.014 4.328 4.340 0.004 0.000 0.203 388 Q C 2.520 178.526 176.000 0.010 0.000 0.933 388 Q CA 0.889 56.701 55.803 0.015 0.000 0.901 388 Q CB 0.106 28.848 28.738 0.007 0.000 1.007 388 Q HN 0.505 nan 8.270 nan 0.000 0.495 389 R N 1.067 121.578 120.500 0.017 0.000 2.275 389 R HA 0.047 4.389 4.340 0.004 0.000 0.199 389 R C 1.178 177.482 176.300 0.007 0.000 0.989 389 R CA 1.412 57.519 56.100 0.012 0.000 1.016 389 R CB -0.541 29.769 30.300 0.017 0.000 0.918 389 R HN 0.402 nan 8.270 nan 0.000 0.473 390 T N -4.509 110.049 114.554 0.006 0.000 2.754 390 T HA 0.544 4.897 4.350 0.004 0.000 0.296 390 T C -0.158 174.542 174.700 0.000 0.000 1.205 390 T CA 0.035 62.137 62.100 0.003 0.000 1.009 390 T CB 1.512 70.382 68.868 0.003 0.000 1.368 390 T HN 0.328 nan 8.240 nan 0.000 0.509 391 T N -1.427 113.126 114.554 -0.002 0.000 2.948 391 T HA 0.667 5.020 4.350 0.004 0.000 0.285 391 T C 0.365 175.062 174.700 -0.004 0.000 1.019 391 T CA -0.759 61.339 62.100 -0.003 0.000 1.013 391 T CB 1.326 70.191 68.868 -0.004 0.000 1.117 391 T HN 0.870 nan 8.240 nan 0.000 0.533 392 S N 0.584 116.281 115.700 -0.006 0.000 2.537 392 S HA 0.240 4.712 4.470 0.004 0.000 0.286 392 S C 1.049 175.645 174.600 -0.006 0.000 1.299 392 S CA 0.072 58.268 58.200 -0.007 0.000 1.067 392 S CB -0.374 62.822 63.200 -0.008 0.000 0.864 392 S HN 1.000 nan 8.310 nan 0.000 0.494 393 T N 2.105 116.655 114.554 -0.007 0.000 3.252 393 T HA 0.446 4.798 4.350 0.004 0.000 0.286 393 T C 1.323 176.019 174.700 -0.006 0.000 1.013 393 T CA 0.093 62.190 62.100 -0.006 0.000 0.914 393 T CB 0.192 69.057 68.868 -0.005 0.000 1.131 393 T HN 0.619 nan 8.240 nan 0.000 0.529 394 A N 1.381 124.196 122.820 -0.007 0.000 2.070 394 A HA 0.305 4.628 4.320 0.004 0.000 0.220 394 A C 2.330 179.913 177.584 -0.002 0.000 1.159 394 A CA 1.243 53.277 52.037 -0.006 0.000 0.656 394 A CB -1.126 17.868 19.000 -0.010 0.000 0.800 394 A HN 0.634 nan 8.150 nan 0.000 0.453 395 G N -0.945 107.853 108.800 -0.003 0.000 2.813 395 G HA2 0.084 4.047 3.960 0.004 0.000 0.209 395 G HA3 0.084 4.047 3.960 0.004 0.000 0.209 395 G C 0.870 175.766 174.900 -0.007 0.000 1.150 395 G CA -0.392 44.706 45.100 -0.003 0.000 0.785 395 G HN 0.472 nan 8.290 nan 0.000 0.535 396 R N 0.998 121.494 120.500 -0.007 0.000 2.582 396 R HA 0.361 4.703 4.340 0.004 0.000 0.271 396 R C 0.820 177.112 176.300 -0.013 0.000 1.078 396 R CA -0.047 56.048 56.100 -0.009 0.000 1.127 396 R CB 0.957 31.252 30.300 -0.008 0.000 1.038 396 R HN 0.295 nan 8.270 nan 0.000 0.500 397 S N 1.475 117.165 115.700 -0.017 0.000 2.606 397 S HA 0.054 4.527 4.470 0.004 0.000 0.257 397 S C 1.461 176.048 174.600 -0.023 0.000 1.327 397 S CA -0.611 57.574 58.200 -0.024 0.000 0.984 397 S CB 0.501 63.683 63.200 -0.029 0.000 0.941 397 S HN 0.587 nan 8.310 nan 0.000 0.576 398 L N 0.330 121.534 121.223 -0.031 0.000 2.056 398 L HA -0.047 4.295 4.340 0.004 0.000 0.207 398 L C 2.489 179.345 176.870 -0.024 0.000 1.078 398 L CA 1.232 56.055 54.840 -0.028 0.000 0.749 398 L CB -0.517 41.514 42.059 -0.045 0.000 0.901 398 L HN 0.714 nan 8.230 nan 0.000 0.433 399 I N -0.350 120.202 120.570 -0.029 0.000 2.179 399 I HA -0.303 3.869 4.170 0.004 0.000 0.242 399 I C 2.414 178.522 176.117 -0.016 0.000 1.088 399 I CA 1.431 62.717 61.300 -0.023 0.000 1.357 399 I CB -0.305 37.679 38.000 -0.027 0.000 1.051 399 I HN 0.304 nan 8.210 nan 0.000 0.409 400 E N 0.929 121.119 120.200 -0.016 0.000 2.077 400 E HA -0.227 4.125 4.350 0.004 0.000 0.193 400 E C 2.335 178.930 176.600 -0.009 0.000 0.989 400 E CA 1.321 57.714 56.400 -0.012 0.000 0.800 400 E CB -0.213 29.480 29.700 -0.013 0.000 0.746 400 E HN 0.522 nan 8.360 nan 0.000 0.452 401 A N 1.299 124.114 122.820 -0.009 0.000 1.908 401 A HA -0.296 4.026 4.320 0.004 0.000 0.218 401 A C 2.144 179.727 177.584 -0.002 0.000 1.181 401 A CA 1.782 53.816 52.037 -0.005 0.000 0.627 401 A CB -0.543 18.455 19.000 -0.003 0.000 0.818 401 A HN 0.250 nan 8.150 nan 0.000 0.445 402 Q N -0.860 118.938 119.800 -0.003 0.000 2.046 402 Q HA -0.154 4.188 4.340 0.004 0.000 0.200 402 Q C 2.069 178.068 176.000 -0.001 0.000 0.975 402 Q CA 2.103 57.906 55.803 -0.001 0.000 0.836 402 Q CB -0.326 28.411 28.738 -0.003 0.000 0.896 402 Q HN 0.590 nan 8.270 nan 0.000 0.428 403 T N 0.228 114.779 114.554 -0.004 0.000 2.699 403 T HA -0.152 4.201 4.350 0.004 0.000 0.268 403 T C 1.089 175.787 174.700 -0.002 0.000 1.036 403 T CA 1.157 63.255 62.100 -0.004 0.000 1.147 403 T CB -0.284 68.581 68.868 -0.006 0.000 0.862 403 T HN 0.340 nan 8.240 nan 0.000 0.446 404 C N 2.694 121.992 119.300 -0.002 0.000 3.025 404 C HA 0.695 5.157 4.460 0.004 0.000 0.547 404 C C 0.881 175.872 174.990 0.001 0.000 1.058 404 C CA -0.365 58.652 59.018 -0.001 0.000 1.164 404 C CB -2.413 25.326 27.740 -0.002 0.000 1.405 404 C HN 0.734 nan 8.230 nan 0.000 0.610 405 E N 0.000 120.201 120.200 0.002 0.000 2.725 405 E HA 0.000 4.352 4.350 0.004 0.000 0.291 405 E CA 0.000 56.402 56.400 0.004 0.000 0.976 405 E CB 0.000 nan 29.700 nan 0.000 0.812 405 E HN 0.000 nan 8.360 nan 0.000 0.440