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 2nvv_1_A DATA FIRST_RESID 2 DATA SEQUENCE ALRFITAEEA AEFVHHNDNV GFSGFTPAGN PKVVPAAIAK RAIAAHEKGN DATA SEQUENCE PFKIGXFTGA STGARLDGVL AQADAVKFRT PYQSNKDLRN LINNGSTSYF DATA SEQUENCE DLHLSTLAQD LRYGFYGKVD VAIIEVADVT EDGKILPTTG VGILPTICRL DATA SEQUENCE ADRIIVELND KHPKEIXGXH DLCEPLDPPA RRELPVYTPS DRIGKPYVQV DATA SEQUENCE DPAKIVGVVR TSEPNDESDF APLDPVTQAI GDNVAAFLVS EXKAGRIPKD DATA SEQUENCE FLPLQSGVGN VANAVLGALG DNPDIPAFNX YTEVIQDAVI ALXKKGRIKF DATA SEQUENCE ASGCSLSVSR SVIQDIYANL DFFKDKILLR PQEYSNNPEI VRRLGVITIN DATA SEQUENCE TALEADIFGN INSTHVSGTR XXNGIGGSGD FTRNSYVSIF TTPSVXKDGK DATA SEQUENCE ISSFVPXVAH HDHSEHSVKV IISEWGVADL RGKNPRERAH EIIDKCVHPD DATA SEQUENCE YRPLLRQYLE LGVKGQTPQN LDCCFAFHQE LAKSGDXRNV RWEDY 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.044 52.037 0.013 0.000 0.836 2 A CB 0.000 19.023 19.000 0.037 0.000 0.831 3 L N 1.593 122.807 121.223 -0.014 0.000 2.513 3 L HA 0.315 4.656 4.340 0.001 0.000 0.272 3 L C 1.091 177.902 176.870 -0.098 0.000 1.187 3 L CA 0.993 55.767 54.840 -0.109 0.000 0.895 3 L CB -0.033 41.930 42.059 -0.160 0.000 1.147 3 L HN 0.672 nan 8.230 nan 0.000 0.483 4 R N 3.622 124.020 120.500 -0.169 0.000 2.265 4 R HA 0.376 4.716 4.340 0.001 0.000 0.319 4 R C -1.190 174.973 176.300 -0.228 0.000 1.006 4 R CA -0.526 55.531 56.100 -0.072 0.000 0.880 4 R CB 0.520 30.802 30.300 -0.029 0.000 1.077 4 R HN 0.326 nan 8.270 nan 0.000 0.454 5 F N 6.248 126.199 119.950 0.002 0.000 2.410 5 F HA 0.386 4.914 4.527 0.001 0.000 0.349 5 F C 0.678 176.489 175.800 0.018 0.000 1.117 5 F CA -0.466 57.536 58.000 0.004 0.000 1.104 5 F CB 1.069 40.071 39.000 0.004 0.000 1.122 5 F HN 0.392 nan 8.300 nan 0.000 0.483 6 I N -1.230 119.414 120.570 0.123 0.000 3.466 6 I HA 0.719 4.889 4.170 0.001 0.000 0.311 6 I C -0.330 175.847 176.117 0.100 0.000 1.155 6 I CA -1.068 60.298 61.300 0.109 0.000 0.959 6 I CB 2.024 40.081 38.000 0.096 0.000 1.332 6 I HN 0.463 nan 8.210 nan 0.000 0.483 7 T N -1.210 113.398 114.554 0.090 0.000 2.881 7 T HA 0.596 4.946 4.350 0.001 0.000 0.278 7 T C 0.933 175.675 174.700 0.069 0.000 0.982 7 T CA -0.127 62.017 62.100 0.073 0.000 0.989 7 T CB 1.612 70.517 68.868 0.060 0.000 1.058 7 T HN 0.837 nan 8.240 nan 0.000 0.529 8 A N 0.077 122.931 122.820 0.056 0.000 2.121 8 A HA 0.053 4.374 4.320 0.001 0.000 0.218 8 A C 1.998 179.613 177.584 0.051 0.000 1.154 8 A CA 1.089 53.157 52.037 0.051 0.000 0.679 8 A CB -0.857 18.167 19.000 0.040 0.000 0.795 8 A HN 0.876 nan 8.150 nan 0.000 0.458 9 E N 0.134 120.362 120.200 0.046 0.000 2.086 9 E HA -0.051 4.300 4.350 0.001 0.000 0.190 9 E C 1.864 178.495 176.600 0.052 0.000 0.975 9 E CA 1.202 57.623 56.400 0.034 0.000 0.813 9 E CB -0.194 29.518 29.700 0.021 0.000 0.768 9 E HN 0.735 nan 8.360 nan 0.000 0.457 10 E N 0.672 120.919 120.200 0.079 0.000 2.106 10 E HA -0.113 4.237 4.350 0.001 0.000 0.192 10 E C 2.044 178.781 176.600 0.229 0.000 0.984 10 E CA 0.920 57.389 56.400 0.115 0.000 0.806 10 E CB -0.151 29.632 29.700 0.138 0.000 0.750 10 E HN 0.242 nan 8.360 nan 0.000 0.458 11 A N 1.706 124.661 122.820 0.226 0.000 1.902 11 A HA -0.091 4.229 4.320 0.001 0.000 0.217 11 A C 2.417 180.170 177.584 0.282 0.000 1.181 11 A CA 1.564 53.770 52.037 0.282 0.000 0.623 11 A CB -0.612 18.448 19.000 0.100 0.000 0.818 11 A HN 0.281 nan 8.150 nan 0.000 0.443 12 A N -0.171 122.734 122.820 0.141 0.000 2.125 12 A HA -0.142 4.178 4.320 0.001 0.000 0.219 12 A C 1.759 179.371 177.584 0.047 0.000 1.156 12 A CA 1.464 53.551 52.037 0.084 0.000 0.671 12 A CB -0.492 18.527 19.000 0.032 0.000 0.794 12 A HN 0.675 nan 8.150 nan 0.000 0.459 13 E N -1.257 118.955 120.200 0.019 0.000 2.347 13 E HA -0.092 4.259 4.350 0.001 0.000 0.196 13 E C 0.700 177.125 176.600 -0.291 0.000 1.008 13 E CA 0.609 56.934 56.400 -0.125 0.000 0.852 13 E CB -0.189 29.395 29.700 -0.194 0.000 0.783 13 E HN 0.782 nan 8.360 nan 0.000 0.505 14 F N 0.371 120.240 119.950 -0.135 0.000 2.811 14 F HA 0.026 4.553 4.527 0.001 0.000 0.301 14 F C 0.636 176.197 175.800 -0.397 0.000 1.151 14 F CA 0.126 58.017 58.000 -0.181 0.000 1.412 14 F CB 0.529 39.491 39.000 -0.063 0.000 1.113 14 F HN -0.245 nan 8.300 nan 0.000 0.579 15 V N 1.278 121.031 119.914 -0.269 0.000 2.398 15 V HA 0.291 4.412 4.120 0.001 0.000 0.286 15 V C -0.198 175.687 176.094 -0.349 0.000 1.026 15 V CA -0.847 61.325 62.300 -0.213 0.000 0.868 15 V CB 0.869 32.717 31.823 0.042 0.000 0.982 15 V HN 0.094 nan 8.190 nan 0.000 0.443 16 H N 2.207 121.293 119.070 0.026 0.000 2.771 16 H HA 0.411 4.968 4.556 0.001 0.000 0.367 16 H C -0.206 174.826 175.328 -0.493 0.000 1.172 16 H CA -0.665 55.301 56.048 -0.136 0.000 1.186 16 H CB 1.513 31.231 29.762 -0.074 0.000 1.790 16 H HN 0.762 nan 8.280 nan 0.000 0.556 17 H N 1.339 119.944 119.070 -0.775 0.000 2.972 17 H HA -0.139 4.417 4.556 0.001 0.000 0.343 17 H C 0.234 175.370 175.328 -0.319 0.000 1.054 17 H CA 1.204 56.749 56.048 -0.839 0.000 1.412 17 H CB 0.437 29.838 29.762 -0.602 0.000 1.385 17 H HN 0.816 nan 8.280 nan 0.000 0.600 18 N N 2.010 120.197 118.700 -0.854 0.000 2.936 18 N HA -0.199 4.541 4.740 0.001 0.000 0.236 18 N C -1.204 174.162 175.510 -0.241 0.000 0.930 18 N CA 1.263 53.963 53.050 -0.583 0.000 0.966 18 N CB -0.751 37.360 38.487 -0.628 0.000 1.090 18 N HN 0.630 nan 8.380 nan 0.000 0.592 19 D N 0.269 120.556 120.400 -0.188 0.000 2.341 19 D HA 0.204 4.844 4.640 0.001 0.000 0.245 19 D C 0.045 176.302 176.300 -0.072 0.000 1.106 19 D CA 0.136 54.095 54.000 -0.068 0.000 0.905 19 D CB 0.345 41.128 40.800 -0.027 0.000 1.202 19 D HN 0.172 nan 8.370 nan 0.000 0.426 20 N N 0.519 119.222 118.700 0.004 0.000 2.425 20 N HA 0.305 5.045 4.740 0.001 0.000 0.268 20 N C -0.950 174.566 175.510 0.009 0.000 0.991 20 N CA -0.363 52.691 53.050 0.007 0.000 0.931 20 N CB 1.577 40.231 38.487 0.279 0.000 1.130 20 N HN 0.019 nan 8.380 nan 0.000 0.493 21 V N 0.434 120.279 119.914 -0.116 0.000 2.555 21 V HA 0.731 4.852 4.120 0.001 0.000 0.302 21 V C 0.726 176.625 176.094 -0.326 0.000 1.038 21 V CA -0.992 61.147 62.300 -0.268 0.000 0.887 21 V CB 1.782 33.328 31.823 -0.462 0.000 0.991 21 V HN 0.664 nan 8.190 nan 0.000 0.434 22 G N 2.902 111.521 108.800 -0.301 0.000 2.379 22 G HA2 0.717 4.677 3.960 0.001 0.000 0.327 22 G HA3 0.717 4.677 3.960 0.001 0.000 0.327 22 G C -1.283 173.394 174.900 -0.372 0.000 1.145 22 G CA -0.309 44.724 45.100 -0.112 0.000 0.905 22 G HN 0.381 nan 8.290 nan 0.000 0.466 23 F N 1.015 121.021 119.950 0.093 0.000 2.492 23 F HA 0.557 5.084 4.527 0.001 0.000 0.327 23 F C 1.028 176.865 175.800 0.062 0.000 1.079 23 F CA -0.875 57.160 58.000 0.058 0.000 0.967 23 F CB 2.150 41.175 39.000 0.042 0.000 1.169 23 F HN 0.550 nan 8.300 nan 0.000 0.472 24 S N 0.918 116.746 115.700 0.213 0.000 2.641 24 S HA 0.815 5.285 4.470 0.001 0.000 0.261 24 S C 0.263 174.953 174.600 0.150 0.000 1.257 24 S CA -0.037 58.246 58.200 0.139 0.000 0.983 24 S CB 1.050 64.294 63.200 0.075 0.000 0.990 24 S HN 1.766 nan 8.310 nan 0.000 0.572 25 G N -0.596 108.282 108.800 0.131 0.000 2.756 25 G HA2 0.111 4.071 3.960 0.001 0.000 0.678 25 G HA3 0.111 4.071 3.960 0.001 0.000 0.678 25 G C -1.098 173.952 174.900 0.249 0.000 1.349 25 G CA -0.279 44.911 45.100 0.150 0.000 0.847 25 G HN 1.509 nan 8.290 nan 0.000 0.548 26 F N 2.010 121.982 119.950 0.036 0.000 2.730 26 F HA 0.623 5.150 4.527 0.001 0.000 0.335 26 F C 0.569 176.381 175.800 0.020 0.000 1.212 26 F CA 1.450 59.468 58.000 0.030 0.000 1.016 26 F CB 1.566 40.578 39.000 0.021 0.000 1.290 26 F HN 2.335 nan 8.300 nan 0.000 0.495 27 T N 3.297 117.691 114.554 -0.267 0.000 0.541 27 T HA -0.149 4.201 4.350 0.001 0.000 0.774 27 T C -2.401 172.270 174.700 -0.050 0.000 0.992 27 T CA -0.241 61.755 62.100 -0.173 0.000 4.077 27 T CB -1.550 67.251 68.868 -0.112 0.000 2.303 27 T HN 0.346 nan 8.240 nan 0.000 0.398 28 P HA -0.012 nan 4.420 nan 0.000 0.219 28 P C 1.028 178.338 177.300 0.017 0.000 1.153 28 P CA 2.230 65.322 63.100 -0.012 0.000 0.865 28 P CB -0.544 31.150 31.700 -0.009 0.000 0.788 29 A N -0.569 122.271 122.820 0.033 0.000 2.566 29 A HA 0.369 4.689 4.320 0.001 0.000 0.245 29 A C 1.616 179.234 177.584 0.056 0.000 1.056 29 A CA 0.731 52.799 52.037 0.053 0.000 0.757 29 A CB -1.338 17.703 19.000 0.069 0.000 0.979 29 A HN 0.443 nan 8.150 nan 0.000 0.508 30 G N 2.248 111.057 108.800 0.015 0.000 2.159 30 G HA2 -0.229 3.731 3.960 0.001 0.000 0.256 30 G HA3 -0.229 3.731 3.960 0.001 0.000 0.256 30 G C 0.152 175.071 174.900 0.032 0.000 0.977 30 G CA 0.267 45.370 45.100 0.006 0.000 0.652 30 G HN 0.832 nan 8.290 nan 0.000 0.531 31 N N 1.460 120.183 118.700 0.038 0.000 2.487 31 N HA 0.435 5.176 4.740 0.001 0.000 0.292 31 N C -2.511 173.031 175.510 0.053 0.000 1.108 31 N CA -1.201 51.882 53.050 0.055 0.000 0.956 31 N CB 2.007 40.508 38.487 0.024 0.000 1.176 31 N HN 0.108 nan 8.380 nan 0.000 0.484 32 P HA 0.132 nan 4.420 nan 0.000 0.271 32 P C -0.461 176.871 177.300 0.053 0.000 1.216 32 P CA 0.088 63.238 63.100 0.083 0.000 0.776 32 P CB 1.206 32.991 31.700 0.143 0.000 0.881 33 K N 1.476 121.904 120.400 0.047 0.000 2.450 33 K HA 0.145 4.466 4.320 0.001 0.000 0.206 33 K C 1.237 177.854 176.600 0.028 0.000 1.148 33 K CA -0.031 56.274 56.287 0.030 0.000 1.014 33 K CB 0.678 33.199 32.500 0.036 0.000 0.966 33 K HN 0.148 nan 8.250 nan 0.000 0.566 34 V N 0.021 119.958 119.914 0.038 0.000 3.359 34 V HA 0.004 4.125 4.120 0.001 0.000 0.245 34 V C 1.500 177.617 176.094 0.038 0.000 1.247 34 V CA 0.339 62.659 62.300 0.033 0.000 1.145 34 V CB 0.907 32.752 31.823 0.037 0.000 0.906 34 V HN -0.026 nan 8.190 nan 0.000 0.464 35 V N 2.465 122.411 119.914 0.053 0.000 2.323 35 V HA -0.032 4.089 4.120 0.001 0.000 0.244 35 V C -0.012 176.124 176.094 0.071 0.000 1.041 35 V CA 2.438 64.776 62.300 0.063 0.000 1.025 35 V CB -1.693 30.174 31.823 0.074 0.000 0.656 35 V HN 0.513 nan 8.190 nan 0.000 0.451 36 P HA -0.197 nan 4.420 nan 0.000 0.217 36 P C 1.514 178.830 177.300 0.027 0.000 1.148 36 P CA 2.200 65.353 63.100 0.088 0.000 0.828 36 P CB -0.030 31.698 31.700 0.046 0.000 0.783 37 A N 0.424 123.250 122.820 0.009 0.000 1.929 37 A HA 0.059 4.380 4.320 0.001 0.000 0.216 37 A C 2.456 180.029 177.584 -0.019 0.000 1.176 37 A CA 1.713 53.743 52.037 -0.011 0.000 0.628 37 A CB -1.346 17.648 19.000 -0.010 0.000 0.816 37 A HN 0.230 nan 8.150 nan 0.000 0.444 38 A N -0.167 122.650 122.820 -0.005 0.000 2.014 38 A HA 0.040 4.361 4.320 0.001 0.000 0.218 38 A C 1.907 179.464 177.584 -0.044 0.000 1.163 38 A CA 1.297 53.324 52.037 -0.017 0.000 0.652 38 A CB -0.374 18.631 19.000 0.008 0.000 0.808 38 A HN 0.406 nan 8.150 nan 0.000 0.449 39 I N -0.093 120.462 120.570 -0.025 0.000 2.286 39 I HA -0.169 4.001 4.170 0.001 0.000 0.245 39 I C 2.905 178.922 176.117 -0.166 0.000 1.104 39 I CA 1.309 62.576 61.300 -0.055 0.000 1.397 39 I CB -1.676 36.357 38.000 0.055 0.000 1.072 39 I HN 0.341 nan 8.210 nan 0.000 0.417 40 A N 1.498 124.259 122.820 -0.099 0.000 1.883 40 A HA -0.206 4.114 4.320 0.001 0.000 0.217 40 A C 2.328 179.816 177.584 -0.160 0.000 1.186 40 A CA 1.525 53.495 52.037 -0.112 0.000 0.624 40 A CB -0.419 18.549 19.000 -0.054 0.000 0.822 40 A HN 0.277 nan 8.150 nan 0.000 0.444 41 K N -0.435 119.887 120.400 -0.129 0.000 2.009 41 K HA -0.206 4.115 4.320 0.001 0.000 0.210 41 K C 2.199 178.677 176.600 -0.203 0.000 1.049 41 K CA 1.697 57.909 56.287 -0.125 0.000 0.929 41 K CB -0.553 31.895 32.500 -0.087 0.000 0.714 41 K HN 0.575 nan 8.250 nan 0.000 0.440 42 R N 0.841 121.188 120.500 -0.255 0.000 2.103 42 R HA -0.153 4.187 4.340 0.001 0.000 0.242 42 R C 2.258 178.159 176.300 -0.664 0.000 1.142 42 R CA 1.564 57.449 56.100 -0.358 0.000 0.960 42 R CB -0.216 29.894 30.300 -0.318 0.000 0.858 42 R HN 0.250 nan 8.270 nan 0.000 0.439 43 A N 0.865 123.157 122.820 -0.879 0.000 1.898 43 A HA -0.101 4.219 4.320 0.001 0.000 0.216 43 A C 2.152 179.248 177.584 -0.813 0.000 1.181 43 A CA 1.289 52.618 52.037 -1.181 0.000 0.620 43 A CB -0.407 18.159 19.000 -0.723 0.000 0.819 43 A HN 0.352 nan 8.150 nan 0.000 0.442 44 I N -0.187 120.155 120.570 -0.380 0.000 2.252 44 I HA -0.257 3.914 4.170 0.001 0.000 0.245 44 I C 2.909 178.943 176.117 -0.138 0.000 1.102 44 I CA 1.010 62.237 61.300 -0.122 0.000 1.385 44 I CB -0.330 37.651 38.000 -0.031 0.000 1.064 44 I HN 0.352 nan 8.210 nan 0.000 0.414 45 A N 0.669 123.380 122.820 -0.180 0.000 2.019 45 A HA -0.117 4.204 4.320 0.001 0.000 0.219 45 A C 2.471 179.989 177.584 -0.110 0.000 1.164 45 A CA 1.794 53.760 52.037 -0.117 0.000 0.644 45 A CB -0.570 18.361 19.000 -0.115 0.000 0.805 45 A HN 0.453 nan 8.150 nan 0.000 0.449 46 A N -1.189 121.511 122.820 -0.199 0.000 1.898 46 A HA -0.015 4.305 4.320 0.001 0.000 0.214 46 A C 2.007 179.564 177.584 -0.044 0.000 1.183 46 A CA 1.215 53.185 52.037 -0.112 0.000 0.622 46 A CB -0.728 18.226 19.000 -0.077 0.000 0.824 46 A HN 0.585 nan 8.150 nan 0.000 0.444 47 H N 0.859 119.929 119.070 0.001 0.000 2.267 47 H HA -0.146 4.410 4.556 0.001 0.000 0.297 47 H C 2.006 177.332 175.328 -0.004 0.000 1.080 47 H CA 1.757 57.808 56.048 0.004 0.000 1.278 47 H CB -0.726 29.036 29.762 -0.001 0.000 1.365 47 H HN 0.833 nan 8.280 nan 0.000 0.489 48 E N 1.256 121.529 120.200 0.123 0.000 2.510 48 E HA -0.146 4.205 4.350 0.001 0.000 0.202 48 E C 1.690 178.311 176.600 0.035 0.000 1.072 48 E CA 0.883 57.318 56.400 0.059 0.000 0.883 48 E CB -0.053 29.668 29.700 0.035 0.000 0.818 48 E HN 0.332 nan 8.360 nan 0.000 0.548 49 K N 0.088 120.508 120.400 0.033 0.000 2.358 49 K HA 0.089 4.409 4.320 0.001 0.000 0.197 49 K C 0.987 177.603 176.600 0.027 0.000 1.025 49 K CA 0.632 56.931 56.287 0.020 0.000 1.104 49 K CB 0.230 32.736 32.500 0.009 0.000 0.855 49 K HN 0.249 nan 8.250 nan 0.000 0.531 50 G N 0.757 109.583 108.800 0.042 0.000 2.176 50 G HA2 -0.272 3.688 3.960 0.001 0.000 0.253 50 G HA3 -0.272 3.688 3.960 0.001 0.000 0.253 50 G C -0.596 174.326 174.900 0.038 0.000 0.979 50 G CA 0.122 45.245 45.100 0.038 0.000 0.641 50 G HN 0.479 nan 8.290 nan 0.000 0.530 51 N N 2.305 121.031 118.700 0.044 0.000 2.473 51 N HA 0.521 5.261 4.740 0.001 0.000 0.291 51 N C -2.503 173.031 175.510 0.040 0.000 1.083 51 N CA -1.446 51.617 53.050 0.023 0.000 0.951 51 N CB 1.963 40.464 38.487 0.024 0.000 1.164 51 N HN 0.142 nan 8.380 nan 0.000 0.480 52 P HA 0.153 nan 4.420 nan 0.000 0.275 52 P C -1.268 175.861 177.300 -0.286 0.000 1.228 52 P CA 0.087 63.082 63.100 -0.174 0.000 0.786 52 P CB 0.635 32.089 31.700 -0.410 0.000 0.927 53 F N 2.311 122.203 119.950 -0.096 0.000 3.395 53 F HA 0.372 4.899 4.527 0.001 0.000 0.382 53 F C -1.068 174.923 175.800 0.318 0.000 1.264 53 F CA -0.405 57.640 58.000 0.076 0.000 1.277 53 F CB 1.222 40.113 39.000 -0.183 0.000 1.780 53 F HN 0.183 nan 8.300 nan 0.000 0.691 54 K N 6.995 127.727 120.400 0.553 0.000 2.525 54 K HA 0.696 5.016 4.320 0.001 0.000 0.254 54 K C -1.162 175.484 176.600 0.077 0.000 0.934 54 K CA -0.912 55.576 56.287 0.336 0.000 0.802 54 K CB 3.229 35.890 32.500 0.268 0.000 1.295 54 K HN 0.564 nan 8.250 nan 0.000 0.433 55 I N -1.737 118.856 120.570 0.039 0.000 2.797 55 I HA 0.684 4.854 4.170 0.001 0.000 0.307 55 I C 0.312 176.254 176.117 -0.292 0.000 1.033 55 I CA -0.841 60.397 61.300 -0.104 0.000 1.071 55 I CB 1.869 39.865 38.000 -0.006 0.000 1.255 55 I HN 0.577 nan 8.210 nan 0.000 0.445 59 T N -1.380 113.385 114.554 0.352 0.000 2.831 59 T HA 0.693 5.044 4.350 0.001 0.000 0.287 59 T C 0.716 175.560 174.700 0.240 0.000 1.070 59 T CA -0.161 62.117 62.100 0.296 0.000 1.010 59 T CB 1.657 70.635 68.868 0.184 0.000 1.264 59 T HN 0.616 nan 8.240 nan 0.000 0.532 60 G N 0.126 109.067 108.800 0.235 0.000 2.456 60 G HA2 0.457 4.418 3.960 0.001 0.000 0.213 60 G HA3 0.457 4.418 3.960 0.001 0.000 0.213 60 G C 0.645 175.692 174.900 0.244 0.000 1.215 60 G CA 0.761 46.057 45.100 0.326 0.000 0.805 60 G HN 1.252 nan 8.290 nan 0.000 0.537 61 A N -0.648 122.159 122.820 -0.021 0.000 3.972 61 A HA 0.675 4.995 4.320 0.001 0.000 0.166 61 A C 0.553 178.124 177.584 -0.021 0.000 0.722 61 A CA 0.717 52.634 52.037 -0.200 0.000 1.045 61 A CB -0.230 18.118 19.000 -1.086 0.000 1.949 61 A HN 0.969 nan 8.150 nan 0.000 0.853 62 S N 0.054 115.738 115.700 -0.026 0.000 2.593 62 S HA 0.530 5.000 4.470 0.001 0.000 0.269 62 S C 0.214 174.773 174.600 -0.069 0.000 1.334 62 S CA 0.575 58.786 58.200 0.020 0.000 1.015 62 S CB 0.616 63.858 63.200 0.070 0.000 0.912 62 S HN 1.784 nan 8.310 nan 0.000 0.541 63 T N -1.805 112.701 114.554 -0.081 0.000 2.887 63 T HA 0.750 5.100 4.350 0.001 0.000 0.292 63 T C 0.552 175.198 174.700 -0.089 0.000 1.087 63 T CA -0.456 61.585 62.100 -0.099 0.000 1.009 63 T CB 0.898 69.663 68.868 -0.171 0.000 1.203 63 T HN 0.962 nan 8.240 nan 0.000 0.518 64 G N -0.431 108.322 108.800 -0.077 0.000 2.583 64 G HA2 0.452 4.413 3.960 0.001 0.000 0.275 64 G HA3 0.452 4.413 3.960 0.001 0.000 0.275 64 G C 1.139 175.993 174.900 -0.077 0.000 1.342 64 G CA -0.289 44.774 45.100 -0.061 0.000 1.030 64 G HN 1.236 nan 8.290 nan 0.000 0.520 65 A N -0.972 121.812 122.820 -0.061 0.000 2.167 65 A HA 0.101 4.422 4.320 0.001 0.000 0.214 65 A C 2.092 179.637 177.584 -0.065 0.000 1.151 65 A CA 0.558 52.556 52.037 -0.065 0.000 0.735 65 A CB -0.067 18.904 19.000 -0.049 0.000 0.802 65 A HN 0.545 nan 8.150 nan 0.000 0.467 66 R N -0.792 119.673 120.500 -0.059 0.000 2.391 66 R HA 0.316 4.657 4.340 0.001 0.000 0.249 66 R C 0.715 176.969 176.300 -0.076 0.000 0.957 66 R CA -0.105 55.964 56.100 -0.052 0.000 1.093 66 R CB 0.142 30.425 30.300 -0.029 0.000 1.156 66 R HN 0.383 nan 8.270 nan 0.000 0.526 67 L N -0.618 120.533 121.223 -0.120 0.000 3.794 67 L HA 0.208 4.548 4.340 0.001 0.000 0.185 67 L C 0.760 177.500 176.870 -0.216 0.000 1.179 67 L CA 1.041 55.757 54.840 -0.207 0.000 0.903 67 L CB -0.461 41.435 42.059 -0.273 0.000 1.582 67 L HN -0.081 nan 8.230 nan 0.000 0.677 68 D N 0.298 120.567 120.400 -0.218 0.000 2.117 68 D HA -0.093 4.548 4.640 0.001 0.000 0.197 68 D C 1.794 178.014 176.300 -0.134 0.000 0.987 68 D CA 1.536 55.423 54.000 -0.188 0.000 0.829 68 D CB -0.025 40.664 40.800 -0.184 0.000 0.961 68 D HN 0.569 nan 8.370 nan 0.000 0.460 69 G N 1.054 109.784 108.800 -0.116 0.000 2.511 69 G HA2 -0.262 3.699 3.960 0.001 0.000 0.216 69 G HA3 -0.262 3.699 3.960 0.001 0.000 0.216 69 G C 1.786 176.642 174.900 -0.072 0.000 1.218 69 G CA 1.014 46.061 45.100 -0.089 0.000 0.788 69 G HN 0.291 nan 8.290 nan 0.000 0.560 70 V N 0.187 120.061 119.914 -0.067 0.000 2.332 70 V HA -0.096 4.024 4.120 0.001 0.000 0.248 70 V C 2.826 178.894 176.094 -0.043 0.000 1.055 70 V CA 1.694 63.964 62.300 -0.050 0.000 1.038 70 V CB -0.264 31.532 31.823 -0.046 0.000 0.651 70 V HN 0.234 nan 8.190 nan 0.000 0.450 71 L N 0.247 121.437 121.223 -0.055 0.000 2.093 71 L HA 0.034 4.375 4.340 0.001 0.000 0.208 71 L C 2.636 179.494 176.870 -0.019 0.000 1.085 71 L CA 2.279 57.100 54.840 -0.031 0.000 0.755 71 L CB -1.589 40.439 42.059 -0.053 0.000 0.904 71 L HN 0.401 nan 8.230 nan 0.000 0.435 72 A N -1.367 121.424 122.820 -0.048 0.000 1.897 72 A HA -0.196 4.125 4.320 0.001 0.000 0.215 72 A C 2.141 179.705 177.584 -0.032 0.000 1.181 72 A CA 1.096 53.105 52.037 -0.046 0.000 0.620 72 A CB -0.364 18.590 19.000 -0.077 0.000 0.821 72 A HN 0.514 nan 8.150 nan 0.000 0.443 73 Q N -0.596 119.183 119.800 -0.034 0.000 2.226 73 Q HA -0.054 4.287 4.340 0.001 0.000 0.204 73 Q C 2.082 178.077 176.000 -0.008 0.000 0.975 73 Q CA 1.162 56.949 55.803 -0.027 0.000 0.866 73 Q CB -0.320 28.400 28.738 -0.030 0.000 0.915 73 Q HN 0.669 nan 8.270 nan 0.000 0.440 74 A N 1.044 123.870 122.820 0.009 0.000 2.208 74 A HA -0.072 4.248 4.320 0.001 0.000 0.209 74 A C 0.399 178.045 177.584 0.102 0.000 1.161 74 A CA 0.634 52.705 52.037 0.056 0.000 0.782 74 A CB 0.014 19.039 19.000 0.042 0.000 0.816 74 A HN 0.395 nan 8.150 nan 0.000 0.477 75 D N -2.322 118.101 120.400 0.039 0.000 2.689 75 D HA -0.181 4.459 4.640 0.001 0.000 0.237 75 D C 0.337 176.706 176.300 0.114 0.000 1.148 75 D CA 0.979 54.985 54.000 0.010 0.000 0.656 75 D CB -1.307 39.432 40.800 -0.101 0.000 1.050 75 D HN 0.565 nan 8.370 nan 0.000 0.426 76 A N -0.015 122.906 122.820 0.168 0.000 2.631 76 A HA 0.486 4.806 4.320 0.001 0.000 0.294 76 A C 0.153 177.836 177.584 0.164 0.000 1.156 76 A CA -0.191 52.007 52.037 0.268 0.000 0.963 76 A CB 0.842 20.020 19.000 0.297 0.000 1.202 76 A HN 0.190 nan 8.150 nan 0.000 0.523 77 V N 1.860 121.826 119.914 0.087 0.000 2.294 77 V HA 0.115 4.236 4.120 0.001 0.000 0.272 77 V C 1.271 177.389 176.094 0.040 0.000 1.027 77 V CA -0.063 62.252 62.300 0.026 0.000 0.823 77 V CB 0.741 32.562 31.823 -0.004 0.000 1.030 77 V HN 0.747 nan 8.190 nan 0.000 0.457 78 K N 4.882 125.286 120.400 0.007 0.000 2.116 78 K HA 0.081 4.402 4.320 0.001 0.000 0.203 78 K C 0.328 177.041 176.600 0.188 0.000 1.052 78 K CA 0.948 57.283 56.287 0.081 0.000 0.952 78 K CB 0.290 32.830 32.500 0.067 0.000 0.729 78 K HN 0.541 nan 8.250 nan 0.000 0.446 79 F N -0.820 119.158 119.950 0.046 0.000 2.703 79 F HA 0.641 5.168 4.527 0.001 0.000 0.308 79 F C -1.614 174.168 175.800 -0.029 0.000 1.126 79 F CA -1.623 56.421 58.000 0.073 0.000 0.959 79 F CB 1.296 40.391 39.000 0.159 0.000 1.297 79 F HN -0.128 nan 8.300 nan 0.000 0.441 80 R N 1.265 121.927 120.500 0.271 0.000 2.673 80 R HA 0.891 5.231 4.340 0.001 0.000 0.281 80 R C -1.820 174.372 176.300 -0.179 0.000 0.991 80 R CA -0.157 55.977 56.100 0.055 0.000 0.896 80 R CB 2.233 32.598 30.300 0.108 0.000 1.201 80 R HN 1.032 nan 8.270 nan 0.000 0.457 81 T N 3.542 117.973 114.554 -0.205 0.000 2.885 81 T HA 0.417 4.767 4.350 0.001 0.000 0.322 81 T C -2.600 172.087 174.700 -0.021 0.000 1.387 81 T CA -1.016 60.866 62.100 -0.364 0.000 1.041 81 T CB 2.225 70.711 68.868 -0.637 0.000 1.287 81 T HN 0.527 nan 8.240 nan 0.000 0.491 82 P HA 0.259 nan 4.420 nan 0.000 0.286 82 P C -0.723 176.656 177.300 0.133 0.000 1.269 82 P CA 0.159 63.234 63.100 -0.041 0.000 0.908 82 P CB 0.744 32.471 31.700 0.046 0.000 1.395 83 Y N 1.367 121.725 120.300 0.097 0.000 2.513 83 Y HA 0.509 5.060 4.550 0.001 0.000 0.340 83 Y C -1.319 174.628 175.900 0.079 0.000 1.055 83 Y CA -0.620 57.567 58.100 0.144 0.000 1.020 83 Y CB 1.797 40.289 38.460 0.053 0.000 1.301 83 Y HN -0.222 nan 8.280 nan 0.000 0.453 84 Q N 1.803 121.387 119.800 -0.361 0.000 2.544 84 Q HA 0.683 5.023 4.340 0.001 0.000 0.291 84 Q C -1.341 174.357 176.000 -0.503 0.000 1.068 84 Q CA -0.863 54.738 55.803 -0.338 0.000 0.785 84 Q CB 1.992 30.492 28.738 -0.397 0.000 1.481 84 Q HN 0.445 nan 8.270 nan 0.000 0.430 85 S N 0.750 116.285 115.700 -0.275 0.000 2.745 85 S HA 0.271 4.741 4.470 0.001 0.000 0.232 85 S C -1.437 173.073 174.600 -0.150 0.000 0.804 85 S CA -0.503 57.574 58.200 -0.206 0.000 1.071 85 S CB -0.467 62.698 63.200 -0.059 0.000 1.480 85 S HN 0.660 nan 8.310 nan 0.000 0.467 86 N N 1.909 120.501 118.700 -0.179 0.000 2.314 86 N HA 0.272 5.013 4.740 0.001 0.000 0.294 86 N C 1.097 176.519 175.510 -0.147 0.000 1.029 86 N CA -0.472 52.493 53.050 -0.142 0.000 0.845 86 N CB 1.589 39.992 38.487 -0.139 0.000 1.321 86 N HN 0.416 nan 8.380 nan 0.000 0.481 87 K N 2.862 123.194 120.400 -0.113 0.000 2.063 87 K HA -0.165 4.155 4.320 0.001 0.000 0.208 87 K C 0.289 176.826 176.600 -0.105 0.000 1.048 87 K CA 1.285 57.510 56.287 -0.104 0.000 0.928 87 K CB -0.016 32.438 32.500 -0.076 0.000 0.713 87 K HN 0.463 nan 8.250 nan 0.000 0.442 88 D N 1.289 121.630 120.400 -0.097 0.000 2.097 88 D HA -0.128 4.512 4.640 0.001 0.000 0.197 88 D C 2.072 178.307 176.300 -0.108 0.000 0.984 88 D CA 0.965 54.912 54.000 -0.089 0.000 0.826 88 D CB -0.173 40.581 40.800 -0.076 0.000 0.973 88 D HN 0.157 nan 8.370 nan 0.000 0.460 89 L N 1.419 122.561 121.223 -0.136 0.000 2.056 89 L HA -0.093 4.248 4.340 0.001 0.000 0.207 89 L C 2.359 179.105 176.870 -0.207 0.000 1.078 89 L CA 1.519 56.259 54.840 -0.167 0.000 0.749 89 L CB -0.502 41.435 42.059 -0.203 0.000 0.901 89 L HN -0.158 nan 8.230 nan 0.000 0.433 90 R N -0.427 119.939 120.500 -0.223 0.000 2.091 90 R HA -0.184 4.156 4.340 0.001 0.000 0.238 90 R C 2.064 178.258 176.300 -0.175 0.000 1.136 90 R CA 2.176 58.130 56.100 -0.242 0.000 0.959 90 R CB -0.339 29.829 30.300 -0.221 0.000 0.856 90 R HN 0.604 nan 8.270 nan 0.000 0.437 91 N N -0.043 118.578 118.700 -0.131 0.000 2.171 91 N HA -0.154 4.586 4.740 0.001 0.000 0.184 91 N C 1.698 177.158 175.510 -0.084 0.000 1.021 91 N CA 0.855 53.847 53.050 -0.096 0.000 0.854 91 N CB -0.112 38.329 38.487 -0.077 0.000 0.994 91 N HN 0.081 nan 8.380 nan 0.000 0.426 92 L N 1.662 122.833 121.223 -0.087 0.000 2.043 92 L HA -0.143 4.197 4.340 0.001 0.000 0.212 92 L C 1.781 178.617 176.870 -0.057 0.000 1.075 92 L CA 1.478 56.279 54.840 -0.065 0.000 0.752 92 L CB -0.358 41.661 42.059 -0.067 0.000 0.891 92 L HN 0.205 nan 8.230 nan 0.000 0.432 93 I N -0.564 119.952 120.570 -0.090 0.000 2.133 93 I HA -0.318 3.853 4.170 0.001 0.000 0.238 93 I C 1.964 178.054 176.117 -0.045 0.000 1.074 93 I CA 1.904 63.162 61.300 -0.070 0.000 1.342 93 I CB -0.501 37.400 38.000 -0.165 0.000 1.053 93 I HN 0.330 nan 8.210 nan 0.000 0.404 94 N N 0.703 119.357 118.700 -0.077 0.000 2.443 94 N HA -0.142 4.598 4.740 0.001 0.000 0.184 94 N C 0.949 176.438 175.510 -0.035 0.000 1.037 94 N CA 0.774 53.788 53.050 -0.060 0.000 0.896 94 N CB -0.231 38.205 38.487 -0.084 0.000 0.959 94 N HN 0.404 nan 8.380 nan 0.000 0.442 95 N N -0.311 118.369 118.700 -0.033 0.000 2.322 95 N HA 0.090 4.830 4.740 0.001 0.000 0.194 95 N C 0.483 175.989 175.510 -0.007 0.000 1.126 95 N CA -0.004 53.033 53.050 -0.021 0.000 0.845 95 N CB 0.634 39.105 38.487 -0.027 0.000 0.976 95 N HN 0.126 nan 8.380 nan 0.000 0.475 96 G N 0.694 109.495 108.800 0.003 0.000 2.249 96 G HA2 -0.299 3.661 3.960 0.001 0.000 0.273 96 G HA3 -0.299 3.661 3.960 0.001 0.000 0.273 96 G C 0.681 175.594 174.900 0.023 0.000 1.036 96 G CA 0.658 45.771 45.100 0.021 0.000 0.824 96 G HN 0.364 nan 8.290 nan 0.000 0.504 97 S N -1.260 114.448 115.700 0.013 0.000 2.575 97 S HA 0.411 4.881 4.470 0.001 0.000 0.215 97 S C 0.808 175.427 174.600 0.031 0.000 0.966 97 S CA 0.975 59.182 58.200 0.012 0.000 0.911 97 S CB 0.811 64.007 63.200 -0.008 0.000 0.780 97 S HN 1.033 nan 8.310 nan 0.000 0.514 98 T N 0.417 115.002 114.554 0.051 0.000 2.769 98 T HA 0.377 4.727 4.350 0.001 0.000 0.306 98 T C -1.664 173.118 174.700 0.137 0.000 1.400 98 T CA -0.492 61.661 62.100 0.088 0.000 1.007 98 T CB 1.578 70.487 68.868 0.069 0.000 1.392 98 T HN -0.086 nan 8.240 nan 0.000 0.500 99 S N 2.144 117.964 115.700 0.201 0.000 2.438 99 S HA 0.595 5.066 4.470 0.001 0.000 0.293 99 S C -1.533 173.298 174.600 0.387 0.000 1.141 99 S CA -0.438 57.927 58.200 0.276 0.000 1.080 99 S CB 0.294 63.666 63.200 0.287 0.000 0.978 99 S HN 0.536 nan 8.310 nan 0.000 0.479 100 Y N 4.262 124.689 120.300 0.211 0.000 2.442 100 Y HA 0.665 5.215 4.550 0.001 0.000 0.344 100 Y C -1.706 174.343 175.900 0.247 0.000 0.976 100 Y CA -1.863 56.310 58.100 0.123 0.000 1.040 100 Y CB 0.962 39.424 38.460 0.002 0.000 1.228 100 Y HN 0.616 nan 8.280 nan 0.000 0.451 101 F N 4.078 123.643 119.950 -0.643 0.000 2.671 101 F HA 0.438 4.966 4.527 0.001 0.000 0.332 101 F C -1.362 174.021 175.800 -0.695 0.000 1.189 101 F CA -1.675 56.000 58.000 -0.541 0.000 0.988 101 F CB 0.675 39.549 39.000 -0.210 0.000 1.258 101 F HN 0.389 nan 8.300 nan 0.000 0.471 102 D N 4.299 124.323 120.400 -0.626 0.000 2.304 102 D HA 0.509 5.149 4.640 0.001 0.000 0.250 102 D C -0.415 175.830 176.300 -0.092 0.000 1.107 102 D CA -0.098 53.698 54.000 -0.341 0.000 0.885 102 D CB 2.074 42.820 40.800 -0.090 0.000 1.192 102 D HN 0.656 nan 8.370 nan 0.000 0.436 103 L N 0.632 121.839 121.223 -0.026 0.000 2.279 103 L HA 0.305 4.646 4.340 0.001 0.000 0.262 103 L C 0.355 177.251 176.870 0.043 0.000 1.019 103 L CA -1.342 53.504 54.840 0.009 0.000 0.823 103 L CB 1.532 43.657 42.059 0.109 0.000 1.358 103 L HN 0.324 nan 8.230 nan 0.000 0.432 104 H N 2.335 121.497 119.070 0.154 0.000 2.975 104 H HA 0.113 4.669 4.556 0.001 0.000 0.303 104 H C 0.946 176.352 175.328 0.129 0.000 1.023 104 H CA 0.115 56.248 56.048 0.142 0.000 1.473 104 H CB 1.124 30.954 29.762 0.114 0.000 1.498 104 H HN 0.506 nan 8.280 nan 0.000 0.549 105 L N 2.494 123.867 121.223 0.251 0.000 2.043 105 L HA -0.253 4.087 4.340 0.001 0.000 0.212 105 L C 2.422 179.371 176.870 0.131 0.000 1.075 105 L CA 1.854 56.816 54.840 0.203 0.000 0.752 105 L CB -0.558 41.650 42.059 0.250 0.000 0.891 105 L HN 0.557 nan 8.230 nan 0.000 0.432 106 S N -1.292 114.453 115.700 0.076 0.000 2.500 106 S HA -0.139 4.331 4.470 0.001 0.000 0.239 106 S C 1.803 176.402 174.600 -0.002 0.000 0.989 106 S CA 1.281 59.475 58.200 -0.010 0.000 0.951 106 S CB -0.662 62.487 63.200 -0.085 0.000 0.759 106 S HN 0.623 nan 8.310 nan 0.000 0.523 107 T N -1.295 113.303 114.554 0.074 0.000 3.037 107 T HA 0.253 4.604 4.350 0.001 0.000 0.251 107 T C 1.509 176.257 174.700 0.079 0.000 1.079 107 T CA 0.290 62.436 62.100 0.076 0.000 1.067 107 T CB -0.348 68.623 68.868 0.171 0.000 0.948 107 T HN 0.237 nan 8.240 nan 0.000 0.496 108 L N 2.127 123.415 121.223 0.107 0.000 2.042 108 L HA 0.208 4.549 4.340 0.001 0.000 0.210 108 L C 2.768 179.650 176.870 0.020 0.000 1.076 108 L CA 1.885 56.797 54.840 0.118 0.000 0.749 108 L CB -1.255 40.864 42.059 0.099 0.000 0.893 108 L HN 0.352 nan 8.230 nan 0.000 0.432 109 A N -0.289 122.507 122.820 -0.040 0.000 1.865 109 A HA -0.303 4.017 4.320 0.001 0.000 0.217 109 A C 2.170 179.619 177.584 -0.226 0.000 1.191 109 A CA 2.055 54.030 52.037 -0.104 0.000 0.623 109 A CB -0.849 18.103 19.000 -0.079 0.000 0.826 109 A HN 0.748 nan 8.150 nan 0.000 0.444 110 Q N -1.010 118.591 119.800 -0.332 0.000 2.119 110 Q HA -0.177 4.163 4.340 0.001 0.000 0.201 110 Q C 1.029 176.360 176.000 -1.116 0.000 0.972 110 Q CA 1.597 56.984 55.803 -0.694 0.000 0.847 110 Q CB -0.504 27.806 28.738 -0.713 0.000 0.903 110 Q HN 0.468 nan 8.270 nan 0.000 0.433 111 D N 0.835 120.839 120.400 -0.661 0.000 2.264 111 D HA -0.034 4.606 4.640 0.001 0.000 0.208 111 D C 1.787 177.849 176.300 -0.396 0.000 0.966 111 D CA 0.671 54.326 54.000 -0.576 0.000 0.864 111 D CB 0.038 40.880 40.800 0.071 0.000 0.933 111 D HN 0.246 nan 8.370 nan 0.000 0.499 112 L N 0.097 121.199 121.223 -0.202 0.000 2.072 112 L HA -0.038 4.302 4.340 0.001 0.000 0.205 112 L C 2.444 179.200 176.870 -0.190 0.000 1.079 112 L CA 0.881 55.648 54.840 -0.122 0.000 0.752 112 L CB -0.025 41.929 42.059 -0.174 0.000 0.906 112 L HN -0.066 nan 8.230 nan 0.000 0.436 113 R N -1.081 119.259 120.500 -0.266 0.000 2.092 113 R HA -0.161 4.179 4.340 0.001 0.000 0.231 113 R C 2.103 178.352 176.300 -0.085 0.000 1.119 113 R CA 1.118 57.114 56.100 -0.174 0.000 0.970 113 R CB -0.335 29.855 30.300 -0.183 0.000 0.864 113 R HN 0.295 nan 8.270 nan 0.000 0.440 114 Y N -0.051 120.016 120.300 -0.388 0.000 2.497 114 Y HA 0.042 4.592 4.550 0.001 0.000 0.292 114 Y C 1.876 177.554 175.900 -0.371 0.000 1.137 114 Y CA 0.781 58.556 58.100 -0.541 0.000 1.285 114 Y CB -0.566 37.137 38.460 -1.261 0.000 0.991 114 Y HN 0.365 nan 8.280 nan 0.000 0.556 115 G N -1.634 107.098 108.800 -0.113 0.000 2.141 115 G HA2 -0.290 3.670 3.960 0.001 0.000 0.242 115 G HA3 -0.290 3.670 3.960 0.001 0.000 0.242 115 G C 0.816 175.788 174.900 0.120 0.000 0.982 115 G CA 0.253 45.364 45.100 0.018 0.000 0.662 115 G HN 0.229 nan 8.290 nan 0.000 0.527 116 F N 0.048 119.895 119.950 -0.173 0.000 2.202 116 F HA 0.176 4.703 4.527 0.001 0.000 0.301 116 F C 1.429 176.918 175.800 -0.518 0.000 1.082 116 F CA 0.223 57.975 58.000 -0.413 0.000 1.313 116 F CB -0.654 37.955 39.000 -0.652 0.000 1.024 116 F HN 0.365 nan 8.300 nan 0.000 0.495 117 Y N -0.887 119.562 120.300 0.248 0.000 2.393 117 Y HA 0.550 5.100 4.550 0.001 0.000 0.341 117 Y C 1.209 177.233 175.900 0.206 0.000 0.988 117 Y CA -1.031 57.210 58.100 0.235 0.000 1.078 117 Y CB 0.543 39.228 38.460 0.376 0.000 1.203 117 Y HN -0.005 nan 8.280 nan 0.000 0.453 118 G N 2.539 111.551 108.800 0.352 0.000 1.940 118 G HA2 -0.208 3.752 3.960 0.001 0.000 0.544 118 G HA3 -0.208 3.752 3.960 0.001 0.000 0.544 118 G C -0.168 174.872 174.900 0.234 0.000 1.222 118 G CA 0.084 45.344 45.100 0.266 0.000 1.086 118 G HN 0.570 nan 8.290 nan 0.000 0.519 119 K N -1.168 119.374 120.400 0.236 0.000 2.123 119 K HA 0.504 4.824 4.320 0.001 0.000 0.248 119 K C -1.114 175.630 176.600 0.239 0.000 0.969 119 K CA -0.625 55.766 56.287 0.175 0.000 0.882 119 K CB 1.710 34.286 32.500 0.126 0.000 1.080 119 K HN 0.112 nan 8.250 nan 0.000 0.441 120 V N 4.326 124.327 119.914 0.145 0.000 2.311 120 V HA 0.083 4.204 4.120 0.001 0.000 0.275 120 V C 0.539 176.688 176.094 0.092 0.000 1.022 120 V CA -0.504 61.886 62.300 0.151 0.000 0.830 120 V CB 1.181 33.032 31.823 0.048 0.000 1.012 120 V HN 0.857 nan 8.190 nan 0.000 0.452 121 D N 2.550 123.005 120.400 0.092 0.000 2.120 121 D HA 0.002 4.642 4.640 0.001 0.000 0.202 121 D C 0.621 176.938 176.300 0.029 0.000 0.972 121 D CA 1.479 55.516 54.000 0.061 0.000 0.837 121 D CB 1.010 41.850 40.800 0.065 0.000 0.989 121 D HN 0.452 nan 8.370 nan 0.000 0.469 122 V N -1.126 118.783 119.914 -0.008 0.000 3.007 122 V HA 0.720 4.841 4.120 0.001 0.000 0.311 122 V C -1.902 174.123 176.094 -0.115 0.000 1.120 122 V CA -0.776 61.494 62.300 -0.051 0.000 0.980 122 V CB 2.173 33.969 31.823 -0.044 0.000 1.033 122 V HN 0.065 nan 8.190 nan 0.000 0.429 123 A N 6.268 129.016 122.820 -0.120 0.000 2.319 123 A HA 0.845 5.165 4.320 0.001 0.000 0.310 123 A C -0.918 176.580 177.584 -0.143 0.000 1.152 123 A CA -0.643 51.306 52.037 -0.146 0.000 0.783 123 A CB 0.917 19.867 19.000 -0.083 0.000 1.184 123 A HN 0.808 nan 8.150 nan 0.000 0.474 124 I N 4.346 124.808 120.570 -0.180 0.000 2.321 124 I HA 0.455 4.625 4.170 0.001 0.000 0.291 124 I C -0.048 176.078 176.117 0.015 0.000 0.998 124 I CA -0.246 61.017 61.300 -0.062 0.000 1.227 124 I CB 0.538 38.551 38.000 0.023 0.000 1.368 124 I HN 0.686 nan 8.210 nan 0.000 0.466 125 I N 1.932 122.506 120.570 0.007 0.000 2.730 125 I HA 0.615 4.785 4.170 0.001 0.000 0.298 125 I C -0.506 175.620 176.117 0.015 0.000 1.089 125 I CA -0.817 60.496 61.300 0.021 0.000 1.041 125 I CB 2.762 40.757 38.000 -0.009 0.000 1.235 125 I HN 0.550 nan 8.210 nan 0.000 0.423 126 E N 3.996 124.206 120.200 0.017 0.000 2.197 126 E HA 0.646 4.996 4.350 0.001 0.000 0.281 126 E C -1.610 174.975 176.600 -0.026 0.000 0.995 126 E CA -0.654 55.748 56.400 0.003 0.000 0.808 126 E CB 2.016 31.717 29.700 0.001 0.000 1.093 126 E HN 0.595 nan 8.360 nan 0.000 0.394 127 V N 2.806 122.710 119.914 -0.017 0.000 3.040 127 V HA 0.460 4.581 4.120 0.001 0.000 0.312 127 V C 0.382 176.479 176.094 0.004 0.000 1.115 127 V CA -0.199 62.086 62.300 -0.025 0.000 0.998 127 V CB 1.708 33.516 31.823 -0.025 0.000 1.042 127 V HN 0.891 nan 8.190 nan 0.000 0.433 128 A N 1.412 124.234 122.820 0.003 0.000 2.169 128 A HA 0.439 4.759 4.320 0.001 0.000 0.210 128 A C 0.302 177.904 177.584 0.031 0.000 1.168 128 A CA 0.880 52.943 52.037 0.043 0.000 0.813 128 A CB -0.025 19.008 19.000 0.056 0.000 0.861 128 A HN 0.876 nan 8.150 nan 0.000 0.481 129 D N -2.375 118.033 120.400 0.013 0.000 2.746 129 D HA 0.304 4.944 4.640 0.001 0.000 0.211 129 D C -1.814 174.480 176.300 -0.010 0.000 1.242 129 D CA -0.066 53.940 54.000 0.010 0.000 0.790 129 D CB 1.710 42.513 40.800 0.006 0.000 1.744 129 D HN 0.164 nan 8.370 nan 0.000 0.520 130 V N 3.718 123.627 119.914 -0.008 0.000 2.443 130 V HA 0.640 4.761 4.120 0.001 0.000 0.293 130 V C -0.351 175.724 176.094 -0.032 0.000 1.021 130 V CA -0.065 62.215 62.300 -0.034 0.000 0.848 130 V CB 1.523 33.313 31.823 -0.054 0.000 0.998 130 V HN 0.696 nan 8.190 nan 0.000 0.424 131 T N 4.413 118.933 114.554 -0.057 0.000 2.828 131 T HA 0.168 4.518 4.350 0.001 0.000 0.290 131 T C 0.959 175.630 174.700 -0.048 0.000 1.019 131 T CA -0.011 62.054 62.100 -0.058 0.000 1.031 131 T CB 1.379 70.184 68.868 -0.105 0.000 1.001 131 T HN 0.880 nan 8.240 nan 0.000 0.531 132 E N 0.945 121.126 120.200 -0.032 0.000 2.208 132 E HA -0.106 4.245 4.350 0.001 0.000 0.193 132 E C 1.234 177.812 176.600 -0.036 0.000 0.988 132 E CA 0.828 57.214 56.400 -0.024 0.000 0.828 132 E CB -0.010 29.687 29.700 -0.006 0.000 0.763 132 E HN 0.659 nan 8.360 nan 0.000 0.478 133 D N -1.232 119.140 120.400 -0.047 0.000 2.370 133 D HA 0.113 4.754 4.640 0.001 0.000 0.230 133 D C 0.768 177.038 176.300 -0.050 0.000 1.143 133 D CA 0.450 54.423 54.000 -0.045 0.000 0.834 133 D CB -0.303 40.467 40.800 -0.049 0.000 0.944 133 D HN 0.179 nan 8.370 nan 0.000 0.504 134 G N 0.630 109.398 108.800 -0.054 0.000 2.198 134 G HA2 -0.301 3.659 3.960 0.001 0.000 0.257 134 G HA3 -0.301 3.659 3.960 0.001 0.000 0.257 134 G C -0.157 174.715 174.900 -0.047 0.000 1.042 134 G CA -0.159 44.912 45.100 -0.049 0.000 0.791 134 G HN 0.437 nan 8.290 nan 0.000 0.502 135 K N -0.311 120.036 120.400 -0.089 0.000 2.234 135 K HA 0.583 4.904 4.320 0.001 0.000 0.277 135 K C -0.166 176.397 176.600 -0.062 0.000 1.038 135 K CA -0.758 55.457 56.287 -0.121 0.000 0.888 135 K CB 1.213 33.490 32.500 -0.371 0.000 1.091 135 K HN 0.136 nan 8.250 nan 0.000 0.467 136 I N 3.531 124.110 120.570 0.016 0.000 2.377 136 I HA 0.206 4.377 4.170 0.001 0.000 0.293 136 I C -0.806 175.316 176.117 0.008 0.000 0.987 136 I CA -0.679 60.619 61.300 -0.003 0.000 1.185 136 I CB 1.334 39.326 38.000 -0.014 0.000 1.341 136 I HN 0.360 nan 8.210 nan 0.000 0.455 137 L N 9.847 131.050 121.223 -0.033 0.000 2.318 137 L HA 0.678 5.018 4.340 0.001 0.000 0.277 137 L C -2.496 174.280 176.870 -0.157 0.000 1.008 137 L CA -1.915 52.880 54.840 -0.074 0.000 0.846 137 L CB 0.951 43.008 42.059 -0.003 0.000 1.220 137 L HN 0.310 nan 8.230 nan 0.000 0.423 138 P HA 0.312 nan 4.420 nan 0.000 0.272 138 P C -0.111 177.089 177.300 -0.167 0.000 1.254 138 P CA -0.169 62.753 63.100 -0.296 0.000 0.795 138 P CB 0.487 31.937 31.700 -0.417 0.000 1.022 139 T N -3.567 110.946 114.554 -0.068 0.000 2.507 139 T HA 0.084 4.434 4.350 0.001 0.000 0.180 139 T C 1.278 176.049 174.700 0.119 0.000 0.681 139 T CA 0.919 62.978 62.100 -0.067 0.000 1.959 139 T CB -1.336 67.252 68.868 -0.466 0.000 2.896 139 T HN 0.429 nan 8.240 nan 0.000 0.391 140 T N -1.276 113.278 114.554 -0.001 0.000 3.086 140 T HA 0.508 4.859 4.350 0.001 0.000 0.250 140 T C 0.679 175.440 174.700 0.102 0.000 1.074 140 T CA -0.043 62.114 62.100 0.094 0.000 0.988 140 T CB -0.243 68.683 68.868 0.097 0.000 0.988 140 T HN 0.885 nan 8.240 nan 0.000 0.530 141 G N -0.308 108.556 108.800 0.107 0.000 2.701 141 G HA2 0.537 4.498 3.960 0.001 0.000 0.300 141 G HA3 0.537 4.498 3.960 0.001 0.000 0.300 141 G C -0.047 174.929 174.900 0.126 0.000 1.410 141 G CA -0.555 44.630 45.100 0.143 0.000 1.014 141 G HN 0.033 nan 8.290 nan 0.000 0.509 142 V N 1.876 121.854 119.914 0.107 0.000 2.627 142 V HA 0.408 4.529 4.120 0.001 0.000 0.239 142 V C 2.430 178.575 176.094 0.084 0.000 1.077 142 V CA 1.863 64.202 62.300 0.064 0.000 1.103 142 V CB -0.900 30.939 31.823 0.028 0.000 0.802 142 V HN 1.628 nan 8.190 nan 0.000 0.482 143 G N 1.901 110.747 108.800 0.076 0.000 2.596 143 G HA2 -0.361 3.600 3.960 0.001 0.000 0.304 143 G HA3 -0.361 3.600 3.960 0.001 0.000 0.304 143 G C 0.681 175.641 174.900 0.100 0.000 1.189 143 G CA 0.777 45.982 45.100 0.176 0.000 0.986 143 G HN 1.099 nan 8.290 nan 0.000 0.548 144 I N -0.455 120.189 120.570 0.122 0.000 3.816 144 I HA 0.604 4.774 4.170 0.001 0.000 0.334 144 I C 1.893 178.041 176.117 0.051 0.000 1.551 144 I CA 0.155 61.500 61.300 0.075 0.000 1.153 144 I CB 0.275 38.321 38.000 0.077 0.000 1.197 144 I HN 0.494 nan 8.210 nan 0.000 0.439 145 L N 3.613 124.867 121.223 0.051 0.000 1.976 145 L HA -0.089 4.251 4.340 0.001 0.000 0.223 145 L C -0.455 176.418 176.870 0.005 0.000 1.081 145 L CA 2.775 57.630 54.840 0.026 0.000 0.784 145 L CB -1.547 40.518 42.059 0.010 0.000 0.896 145 L HN 0.214 nan 8.230 nan 0.000 0.438 146 P HA -0.155 nan 4.420 nan 0.000 0.217 146 P C 1.423 178.717 177.300 -0.010 0.000 1.148 146 P CA 2.179 65.275 63.100 -0.006 0.000 0.828 146 P CB -0.296 31.402 31.700 -0.004 0.000 0.783 147 T N 1.208 115.755 114.554 -0.011 0.000 2.851 147 T HA -0.050 4.301 4.350 0.001 0.000 0.262 147 T C 1.975 176.651 174.700 -0.041 0.000 1.043 147 T CA 1.289 63.368 62.100 -0.034 0.000 1.140 147 T CB -0.764 68.073 68.868 -0.052 0.000 0.872 147 T HN 0.252 nan 8.240 nan 0.000 0.446 148 I N -0.473 120.079 120.570 -0.030 0.000 2.394 148 I HA -0.066 4.105 4.170 0.001 0.000 0.251 148 I C 2.257 178.356 176.117 -0.030 0.000 1.136 148 I CA 0.963 62.243 61.300 -0.032 0.000 1.425 148 I CB -1.014 36.979 38.000 -0.010 0.000 1.079 148 I HN 0.180 nan 8.210 nan 0.000 0.425 149 C N 0.990 120.275 119.300 -0.024 0.000 2.450 149 C HA -0.034 4.427 4.460 0.001 0.000 0.279 149 C C 3.019 177.995 174.990 -0.022 0.000 1.335 149 C CA 0.844 59.847 59.018 -0.025 0.000 1.749 149 C CB -1.219 26.509 27.740 -0.020 0.000 1.963 149 C HN 0.550 nan 8.230 nan 0.000 0.501 150 R N 0.358 120.845 120.500 -0.021 0.000 2.062 150 R HA -0.044 4.296 4.340 0.001 0.000 0.229 150 R C 1.774 178.063 176.300 -0.019 0.000 1.128 150 R CA 1.359 57.449 56.100 -0.017 0.000 0.960 150 R CB -0.282 30.008 30.300 -0.018 0.000 0.855 150 R HN 0.299 nan 8.270 nan 0.000 0.432 151 L N 1.125 122.332 121.223 -0.027 0.000 2.313 151 L HA 0.197 4.538 4.340 0.001 0.000 0.214 151 L C 0.963 177.827 176.870 -0.010 0.000 1.119 151 L CA 0.845 55.671 54.840 -0.023 0.000 0.809 151 L CB -0.863 41.169 42.059 -0.044 0.000 0.933 151 L HN 0.137 nan 8.230 nan 0.000 0.449 152 A N -0.513 122.298 122.820 -0.014 0.000 2.462 152 A HA 0.093 4.414 4.320 0.001 0.000 0.243 152 A C 1.052 178.635 177.584 -0.002 0.000 1.076 152 A CA -0.177 51.855 52.037 -0.008 0.000 0.773 152 A CB 0.095 19.079 19.000 -0.026 0.000 1.010 152 A HN 0.223 nan 8.150 nan 0.000 0.493 153 D N 0.377 120.784 120.400 0.011 0.000 2.149 153 D HA -0.005 4.636 4.640 0.001 0.000 0.201 153 D C 0.757 177.061 176.300 0.006 0.000 0.972 153 D CA 1.410 55.421 54.000 0.018 0.000 0.835 153 D CB 0.122 40.946 40.800 0.040 0.000 0.966 153 D HN 0.756 nan 8.370 nan 0.000 0.476 154 R N -0.350 120.146 120.500 -0.007 0.000 2.698 154 R HA 0.676 5.016 4.340 0.001 0.000 0.275 154 R C -1.040 175.212 176.300 -0.080 0.000 1.001 154 R CA -0.701 55.373 56.100 -0.043 0.000 0.896 154 R CB 1.513 31.798 30.300 -0.025 0.000 1.218 154 R HN -0.182 nan 8.270 nan 0.000 0.462 155 I N 2.716 123.214 120.570 -0.120 0.000 2.433 155 I HA 0.411 4.581 4.170 0.001 0.000 0.292 155 I C -0.333 175.676 176.117 -0.179 0.000 1.001 155 I CA -1.067 60.157 61.300 -0.127 0.000 1.119 155 I CB 2.178 40.117 38.000 -0.101 0.000 1.289 155 I HN 0.470 nan 8.210 nan 0.000 0.438 156 I N 6.610 127.086 120.570 -0.156 0.000 2.354 156 I HA 0.307 4.477 4.170 0.001 0.000 0.286 156 I C -0.351 175.700 176.117 -0.109 0.000 1.007 156 I CA -0.686 60.516 61.300 -0.163 0.000 1.167 156 I CB 1.477 39.404 38.000 -0.122 0.000 1.320 156 I HN 0.200 nan 8.210 nan 0.000 0.458 157 V N 5.770 125.608 119.914 -0.126 0.000 2.567 157 V HA 0.291 4.412 4.120 0.001 0.000 0.289 157 V C 0.094 176.152 176.094 -0.061 0.000 1.049 157 V CA -0.526 61.719 62.300 -0.091 0.000 0.969 157 V CB 1.708 33.461 31.823 -0.116 0.000 0.995 157 V HN 0.691 nan 8.190 nan 0.000 0.471 158 E N 3.204 123.391 120.200 -0.021 0.000 2.186 158 E HA 0.379 4.730 4.350 0.001 0.000 0.255 158 E C -1.156 175.461 176.600 0.029 0.000 0.881 158 E CA -0.482 55.926 56.400 0.013 0.000 0.752 158 E CB 1.382 31.100 29.700 0.030 0.000 1.176 158 E HN 0.630 nan 8.360 nan 0.000 0.421 159 L N 5.043 126.296 121.223 0.050 0.000 2.312 159 L HA 0.260 4.600 4.340 0.001 0.000 0.287 159 L C -0.284 176.641 176.870 0.092 0.000 1.091 159 L CA -0.292 54.592 54.840 0.074 0.000 0.846 159 L CB 0.237 42.366 42.059 0.117 0.000 1.219 159 L HN 0.481 nan 8.230 nan 0.000 0.439 160 N N 3.126 121.888 118.700 0.104 0.000 2.458 160 N HA -0.031 4.710 4.740 0.001 0.000 0.270 160 N C 0.666 176.256 175.510 0.134 0.000 1.102 160 N CA -0.002 53.135 53.050 0.145 0.000 0.967 160 N CB 1.183 39.818 38.487 0.247 0.000 1.078 160 N HN 0.548 nan 8.380 nan 0.000 0.471 161 D N 2.454 122.908 120.400 0.090 0.000 2.123 161 D HA -0.134 4.506 4.640 0.001 0.000 0.196 161 D C 0.898 177.211 176.300 0.022 0.000 0.992 161 D CA 1.184 55.213 54.000 0.049 0.000 0.833 161 D CB 0.499 41.318 40.800 0.032 0.000 0.954 161 D HN 0.460 nan 8.370 nan 0.000 0.455 162 K N 0.408 120.810 120.400 0.004 0.000 2.442 162 K HA -0.064 4.257 4.320 0.001 0.000 0.198 162 K C 0.100 176.544 176.600 -0.261 0.000 1.042 162 K CA 0.486 56.702 56.287 -0.119 0.000 0.958 162 K CB -0.478 31.915 32.500 -0.178 0.000 0.766 162 K HN 0.391 nan 8.250 nan 0.000 0.474 163 H N 0.878 119.963 119.070 0.026 0.000 2.595 163 H HA 0.207 4.763 4.556 0.001 0.000 0.313 163 H C -2.282 172.945 175.328 -0.168 0.000 1.023 163 H CA -2.009 53.992 56.048 -0.079 0.000 1.218 163 H CB 1.108 30.891 29.762 0.035 0.000 1.403 163 H HN -0.039 nan 8.280 nan 0.000 0.477 164 P HA 0.023 nan 4.420 nan 0.000 0.271 164 P C 0.102 177.336 177.300 -0.111 0.000 1.218 164 P CA -0.646 62.345 63.100 -0.182 0.000 0.780 164 P CB 1.513 33.057 31.700 -0.260 0.000 0.901 165 K N 1.310 121.682 120.400 -0.046 0.000 2.504 165 K HA -0.076 4.244 4.320 0.001 0.000 0.195 165 K C 0.741 177.338 176.600 -0.004 0.000 1.036 165 K CA 0.984 57.266 56.287 -0.008 0.000 0.984 165 K CB -0.230 32.270 32.500 0.001 0.000 0.788 165 K HN 0.217 nan 8.250 nan 0.000 0.488 166 E N 0.891 121.071 120.200 -0.034 0.000 2.418 166 E HA 0.021 4.371 4.350 0.001 0.000 0.197 166 E C 0.633 177.234 176.600 0.002 0.000 1.026 166 E CA 0.262 56.654 56.400 -0.013 0.000 0.862 166 E CB 0.028 29.715 29.700 -0.022 0.000 0.799 166 E HN 0.236 nan 8.360 nan 0.000 0.518 172 D N 1.879 122.313 120.400 0.056 0.000 2.375 172 D HA 0.270 4.911 4.640 0.001 0.000 0.259 172 D C -1.193 175.038 176.300 -0.115 0.000 1.235 172 D CA -0.466 53.505 54.000 -0.049 0.000 0.924 172 D CB 0.590 41.350 40.800 -0.065 0.000 1.143 172 D HN 0.295 nan 8.370 nan 0.000 0.529 173 L N 3.347 124.494 121.223 -0.125 0.000 2.309 173 L HA 0.695 5.035 4.340 0.001 0.000 0.282 173 L C 0.472 177.230 176.870 -0.187 0.000 1.036 173 L CA -0.747 54.007 54.840 -0.144 0.000 0.806 173 L CB 0.300 42.291 42.059 -0.113 0.000 1.220 173 L HN 0.752 nan 8.230 nan 0.000 0.429 174 C N 0.963 120.165 119.300 -0.164 0.000 3.056 174 C HA 0.639 5.100 4.460 0.001 0.000 0.336 174 C C -1.006 174.009 174.990 0.042 0.000 1.356 174 C CA -0.979 57.971 59.018 -0.113 0.000 1.216 174 C CB 1.764 29.396 27.740 -0.179 0.000 1.391 174 C HN 0.888 nan 8.230 nan 0.000 0.445 175 E N 0.970 121.228 120.200 0.097 0.000 2.356 175 E HA 0.755 5.106 4.350 0.001 0.000 0.275 175 E C -2.745 173.945 176.600 0.151 0.000 0.904 175 E CA -1.047 55.456 56.400 0.172 0.000 0.757 175 E CB 2.754 32.493 29.700 0.065 0.000 1.232 175 E HN 0.765 nan 8.360 nan 0.000 0.442 176 P HA 0.326 nan 4.420 nan 0.000 0.283 176 P C -0.739 176.589 177.300 0.048 0.000 1.278 176 P CA -0.743 62.414 63.100 0.095 0.000 0.834 176 P CB 0.915 32.653 31.700 0.063 0.000 1.150 177 L N 1.244 122.493 121.223 0.042 0.000 2.476 177 L HA 0.191 4.532 4.340 0.001 0.000 0.264 177 L C 0.808 177.705 176.870 0.045 0.000 1.224 177 L CA 0.829 55.690 54.840 0.035 0.000 0.821 177 L CB -0.676 41.400 42.059 0.028 0.000 1.101 177 L HN 0.353 nan 8.230 nan 0.000 0.488 178 D N 1.354 121.788 120.400 0.056 0.000 2.272 178 D HA 0.383 5.023 4.640 0.001 0.000 0.247 178 D C -2.309 174.015 176.300 0.039 0.000 0.990 178 D CA -1.276 52.785 54.000 0.101 0.000 0.931 178 D CB 1.109 42.020 40.800 0.184 0.000 1.195 178 D HN 0.275 nan 8.370 nan 0.000 0.477 179 P HA 0.050 nan 4.420 nan 0.000 0.266 179 P C -1.813 175.452 177.300 -0.059 0.000 1.193 179 P CA -0.683 62.393 63.100 -0.040 0.000 0.770 179 P CB -0.128 31.523 31.700 -0.081 0.000 0.836 180 P HA 0.156 nan 4.420 nan 0.000 0.253 180 P C 0.459 177.752 177.300 -0.012 0.000 1.459 180 P CA 0.123 63.206 63.100 -0.028 0.000 0.908 180 P CB -0.060 31.623 31.700 -0.028 0.000 1.470 181 A N -0.167 122.651 122.820 -0.004 0.000 2.348 181 A HA 0.139 4.459 4.320 0.001 0.000 0.224 181 A C 1.174 178.766 177.584 0.013 0.000 1.227 181 A CA -0.377 51.663 52.037 0.005 0.000 0.885 181 A CB -0.376 18.628 19.000 0.006 0.000 0.933 181 A HN 0.115 nan 8.150 nan 0.000 0.506 182 R N 1.081 121.590 120.500 0.015 0.000 2.537 182 R HA 0.211 4.551 4.340 0.001 0.000 0.280 182 R C -0.082 176.230 176.300 0.020 0.000 1.058 182 R CA -0.058 56.055 56.100 0.022 0.000 1.057 182 R CB 0.405 30.720 30.300 0.025 0.000 0.973 182 R HN 0.239 nan 8.270 nan 0.000 0.438 183 R N 1.822 122.338 120.500 0.026 0.000 2.719 183 R HA 0.165 4.505 4.340 0.001 0.000 0.233 183 R C -0.163 176.156 176.300 0.032 0.000 1.257 183 R CA -0.736 55.382 56.100 0.030 0.000 1.109 183 R CB 0.212 30.534 30.300 0.036 0.000 1.447 183 R HN 0.750 nan 8.270 nan 0.000 0.537 184 E N 1.368 121.592 120.200 0.041 0.000 2.374 184 E HA 0.077 4.427 4.350 0.001 0.000 0.260 184 E C -0.593 176.029 176.600 0.036 0.000 1.101 184 E CA -0.154 56.267 56.400 0.036 0.000 0.907 184 E CB 0.514 30.251 29.700 0.062 0.000 1.014 184 E HN 0.389 nan 8.360 nan 0.000 0.427 185 L N 2.836 124.063 121.223 0.007 0.000 2.288 185 L HA 0.235 4.575 4.340 0.001 0.000 0.283 185 L C -1.656 175.156 176.870 -0.096 0.000 1.072 185 L CA -1.974 52.890 54.840 0.040 0.000 0.862 185 L CB 0.756 42.852 42.059 0.062 0.000 1.245 185 L HN 0.336 nan 8.230 nan 0.000 0.432 186 P HA -0.089 nan 4.420 nan 0.000 0.272 186 P C -0.129 176.910 177.300 -0.435 0.000 1.542 186 P CA 0.496 63.475 63.100 -0.201 0.000 0.846 186 P CB 0.007 31.753 31.700 0.076 0.000 1.782 187 V N 0.974 120.515 119.914 -0.621 0.000 2.350 187 V HA 0.276 4.397 4.120 0.001 0.000 0.285 187 V C -0.241 175.443 176.094 -0.683 0.000 1.014 187 V CA -0.586 61.449 62.300 -0.441 0.000 0.831 187 V CB 0.719 32.451 31.823 -0.151 0.000 1.000 187 V HN 0.021 nan 8.190 nan 0.000 0.433 188 Y N 3.143 123.417 120.300 -0.043 0.000 2.481 188 Y HA 0.473 5.023 4.550 0.001 0.000 0.247 188 Y C 1.003 176.858 175.900 -0.075 0.000 1.151 188 Y CA -0.239 57.827 58.100 -0.056 0.000 1.238 188 Y CB 0.871 39.308 38.460 -0.039 0.000 1.179 188 Y HN 0.572 nan 8.280 nan 0.000 0.524 189 T N 1.801 116.354 114.554 -0.001 0.000 2.916 189 T HA 0.190 4.540 4.350 0.001 0.000 0.305 189 T C -2.135 172.529 174.700 -0.059 0.000 1.119 189 T CA -1.368 60.709 62.100 -0.038 0.000 1.008 189 T CB 2.345 71.187 68.868 -0.042 0.000 1.129 189 T HN -0.247 nan 8.240 nan 0.000 0.480 190 P HA -0.057 nan 4.420 nan 0.000 0.228 190 P C 0.907 178.303 177.300 0.160 0.000 1.151 190 P CA 0.768 63.989 63.100 0.202 0.000 0.770 190 P CB 0.094 32.014 31.700 0.367 0.000 0.786 191 S N -2.566 112.949 115.700 -0.308 0.000 2.568 191 S HA 0.137 4.608 4.470 0.001 0.000 0.232 191 S C 0.297 174.736 174.600 -0.268 0.000 0.975 191 S CA -0.621 57.136 58.200 -0.739 0.000 0.949 191 S CB -0.558 61.724 63.200 -1.531 0.000 0.829 191 S HN -0.116 nan 8.310 nan 0.000 0.479 192 D N 2.964 123.303 120.400 -0.101 0.000 2.351 192 D HA 0.257 4.898 4.640 0.001 0.000 0.251 192 D C 0.069 176.358 176.300 -0.019 0.000 1.137 192 D CA 0.145 54.116 54.000 -0.047 0.000 0.879 192 D CB 0.661 41.452 40.800 -0.015 0.000 1.181 192 D HN 0.277 nan 8.370 nan 0.000 0.448 193 R N 2.241 122.726 120.500 -0.025 0.000 2.312 193 R HA 0.407 4.747 4.340 0.001 0.000 0.311 193 R C 0.888 177.159 176.300 -0.049 0.000 1.004 193 R CA -0.320 55.760 56.100 -0.032 0.000 0.902 193 R CB 1.263 31.549 30.300 -0.024 0.000 1.073 193 R HN 0.547 nan 8.270 nan 0.000 0.457 194 I N -2.009 118.505 120.570 -0.092 0.000 4.338 194 I HA 0.387 4.558 4.170 0.001 0.000 0.329 194 I C 0.494 176.530 176.117 -0.135 0.000 1.378 194 I CA -0.290 60.950 61.300 -0.099 0.000 1.170 194 I CB 1.119 39.055 38.000 -0.107 0.000 1.206 194 I HN 0.564 nan 8.210 nan 0.000 0.432 195 G N 1.368 110.070 108.800 -0.164 0.000 3.264 195 G HA2 0.562 4.522 3.960 0.001 0.000 0.168 195 G HA3 0.562 4.522 3.960 0.001 0.000 0.168 195 G C -1.083 173.715 174.900 -0.170 0.000 1.145 195 G CA -0.642 44.350 45.100 -0.179 0.000 0.855 195 G HN 0.046 nan 8.290 nan 0.000 0.629 196 K N 0.602 120.863 120.400 -0.233 0.000 2.281 196 K HA 0.398 4.718 4.320 0.001 0.000 0.242 196 K C -2.037 174.404 176.600 -0.264 0.000 0.971 196 K CA -1.687 54.405 56.287 -0.326 0.000 0.834 196 K CB 3.010 35.123 32.500 -0.644 0.000 1.181 196 K HN 0.145 nan 8.250 nan 0.000 0.435 197 P HA -0.009 nan 4.420 nan 0.000 0.255 197 P C -1.296 176.064 177.300 0.100 0.000 1.357 197 P CA 0.484 63.603 63.100 0.032 0.000 0.839 197 P CB -0.112 31.663 31.700 0.125 0.000 1.356 198 Y N -3.589 116.706 120.300 -0.008 0.000 2.677 198 Y HA 0.557 5.107 4.550 0.001 0.000 0.334 198 Y C -1.855 174.016 175.900 -0.048 0.000 1.196 198 Y CA -1.997 56.076 58.100 -0.045 0.000 1.059 198 Y CB 0.612 39.055 38.460 -0.030 0.000 1.315 198 Y HN -0.230 nan 8.280 nan 0.000 0.455 199 V N 2.197 122.218 119.914 0.178 0.000 2.459 199 V HA 0.612 4.732 4.120 0.001 0.000 0.295 199 V C -1.063 175.163 176.094 0.220 0.000 1.029 199 V CA -0.372 61.985 62.300 0.096 0.000 0.874 199 V CB 1.450 33.282 31.823 0.015 0.000 0.985 199 V HN 0.969 nan 8.190 nan 0.000 0.438 200 Q N 5.004 124.918 119.800 0.191 0.000 2.278 200 Q HA 0.670 5.010 4.340 0.001 0.000 0.257 200 Q C -0.732 175.306 176.000 0.065 0.000 0.928 200 Q CA -0.137 55.765 55.803 0.164 0.000 0.932 200 Q CB 1.672 30.531 28.738 0.203 0.000 1.221 200 Q HN 1.113 nan 8.270 nan 0.000 0.434 201 V N 0.316 120.249 119.914 0.032 0.000 3.141 201 V HA 0.616 4.736 4.120 0.001 0.000 0.312 201 V C -0.789 175.302 176.094 -0.005 0.000 1.157 201 V CA -1.165 61.139 62.300 0.006 0.000 1.041 201 V CB 2.071 33.888 31.823 -0.011 0.000 1.071 201 V HN 0.759 nan 8.190 nan 0.000 0.441 202 D N 2.898 123.291 120.400 -0.011 0.000 2.325 202 D HA 0.348 4.989 4.640 0.001 0.000 0.251 202 D C -1.312 174.971 176.300 -0.028 0.000 1.196 202 D CA -1.931 52.060 54.000 -0.014 0.000 0.866 202 D CB 1.888 42.681 40.800 -0.011 0.000 1.101 202 D HN 0.501 nan 8.370 nan 0.000 0.476 203 P HA -0.183 nan 4.420 nan 0.000 0.220 203 P C 0.964 178.234 177.300 -0.051 0.000 1.144 203 P CA 0.797 63.869 63.100 -0.047 0.000 0.800 203 P CB 0.186 31.861 31.700 -0.042 0.000 0.772 204 A N 0.469 123.268 122.820 -0.035 0.000 2.067 204 A HA -0.141 4.179 4.320 0.001 0.000 0.219 204 A C 2.150 179.710 177.584 -0.040 0.000 1.158 204 A CA 1.276 53.295 52.037 -0.030 0.000 0.661 204 A CB -0.880 18.111 19.000 -0.014 0.000 0.801 204 A HN 0.215 nan 8.150 nan 0.000 0.452 205 K N -0.284 120.088 120.400 -0.047 0.000 2.366 205 K HA 0.096 4.416 4.320 0.001 0.000 0.198 205 K C -0.197 176.344 176.600 -0.099 0.000 1.044 205 K CA 0.152 56.405 56.287 -0.056 0.000 0.973 205 K CB 0.045 32.519 32.500 -0.044 0.000 0.767 205 K HN 0.348 nan 8.250 nan 0.000 0.475 206 I N 3.031 123.531 120.570 -0.115 0.000 2.389 206 I HA -0.061 4.110 4.170 0.001 0.000 0.295 206 I C 1.514 177.495 176.117 -0.227 0.000 1.117 206 I CA 0.266 61.465 61.300 -0.168 0.000 1.317 206 I CB 0.096 38.000 38.000 -0.161 0.000 1.431 206 I HN -0.097 nan 8.210 nan 0.000 0.521 207 V N 3.658 123.366 119.914 -0.343 0.000 3.141 207 V HA 0.386 4.506 4.120 0.001 0.000 0.265 207 V C 0.863 176.643 176.094 -0.523 0.000 1.126 207 V CA 0.876 62.850 62.300 -0.543 0.000 1.141 207 V CB -0.760 30.362 31.823 -1.168 0.000 0.743 207 V HN 0.862 nan 8.190 nan 0.000 0.492 208 G N -1.402 107.161 108.800 -0.394 0.000 2.377 208 G HA2 0.477 4.437 3.960 0.001 0.000 0.297 208 G HA3 0.477 4.437 3.960 0.001 0.000 0.297 208 G C -1.698 173.025 174.900 -0.295 0.000 1.547 208 G CA -0.104 44.811 45.100 -0.307 0.000 0.833 208 G HN 0.393 nan 8.290 nan 0.000 0.583 209 V N 0.846 120.543 119.914 -0.363 0.000 2.407 209 V HA 0.542 4.663 4.120 0.001 0.000 0.291 209 V C 0.027 176.027 176.094 -0.158 0.000 1.018 209 V CA -0.739 61.340 62.300 -0.367 0.000 0.842 209 V CB 1.437 32.806 31.823 -0.757 0.000 0.996 209 V HN 0.713 nan 8.190 nan 0.000 0.426 210 V N 5.858 125.750 119.914 -0.037 0.000 2.383 210 V HA 0.445 4.565 4.120 0.001 0.000 0.275 210 V C 0.500 176.654 176.094 0.100 0.000 1.036 210 V CA -0.739 61.595 62.300 0.057 0.000 0.889 210 V CB 1.279 33.125 31.823 0.039 0.000 0.985 210 V HN 0.767 nan 8.190 nan 0.000 0.459 211 R N 3.100 123.693 120.500 0.156 0.000 2.340 211 R HA 0.565 4.906 4.340 0.001 0.000 0.300 211 R C 0.271 176.625 176.300 0.090 0.000 1.069 211 R CA -0.125 56.058 56.100 0.139 0.000 0.984 211 R CB 1.292 31.676 30.300 0.140 0.000 1.003 211 R HN 0.925 nan 8.270 nan 0.000 0.459 212 T N -2.118 112.485 114.554 0.081 0.000 2.838 212 T HA 0.427 4.777 4.350 0.001 0.000 0.292 212 T C -0.485 174.255 174.700 0.067 0.000 1.113 212 T CA -0.830 61.310 62.100 0.068 0.000 1.008 212 T CB 2.048 70.957 68.868 0.069 0.000 1.259 212 T HN 0.321 nan 8.240 nan 0.000 0.520 213 S N 0.771 116.506 115.700 0.057 0.000 2.381 213 S HA 0.382 4.853 4.470 0.001 0.000 0.193 213 S C -1.553 173.076 174.600 0.049 0.000 1.287 213 S CA -0.578 57.652 58.200 0.050 0.000 1.199 213 S CB 0.064 63.283 63.200 0.031 0.000 1.214 213 S HN 0.621 nan 8.310 nan 0.000 0.444 214 E N 4.804 125.046 120.200 0.071 0.000 2.182 214 E HA 0.419 4.770 4.350 0.001 0.000 0.258 214 E C -2.646 173.994 176.600 0.067 0.000 0.879 214 E CA -2.061 54.380 56.400 0.069 0.000 0.754 214 E CB 1.923 31.675 29.700 0.085 0.000 1.162 214 E HN 0.424 nan 8.360 nan 0.000 0.419 215 P HA 0.201 nan 4.420 nan 0.000 0.278 215 P C -0.335 176.979 177.300 0.025 0.000 1.258 215 P CA -0.683 62.419 63.100 0.004 0.000 0.811 215 P CB 1.011 32.706 31.700 -0.008 0.000 1.063 216 N N 0.343 119.048 118.700 0.007 0.000 2.482 216 N HA 0.119 4.859 4.740 0.001 0.000 0.260 216 N C -0.267 175.244 175.510 0.002 0.000 1.236 216 N CA 0.257 53.318 53.050 0.018 0.000 0.938 216 N CB -0.209 38.272 38.487 -0.009 0.000 1.128 216 N HN 0.347 nan 8.380 nan 0.000 0.448 217 D N -0.026 120.378 120.400 0.006 0.000 2.360 217 D HA 0.144 4.784 4.640 0.001 0.000 0.242 217 D C 0.153 176.448 176.300 -0.008 0.000 1.184 217 D CA 0.053 54.053 54.000 0.000 0.000 0.930 217 D CB 0.614 41.416 40.800 0.003 0.000 1.161 217 D HN 0.410 nan 8.370 nan 0.000 0.447 218 E N -0.414 119.782 120.200 -0.006 0.000 2.254 218 E HA 0.357 4.707 4.350 0.001 0.000 0.261 218 E C -0.867 175.732 176.600 -0.002 0.000 1.051 218 E CA -0.854 55.541 56.400 -0.009 0.000 0.902 218 E CB 0.837 30.533 29.700 -0.007 0.000 1.168 218 E HN 0.331 nan 8.360 nan 0.000 0.423 219 S N 2.115 117.813 115.700 -0.003 0.000 2.525 219 S HA 0.200 4.670 4.470 0.001 0.000 0.285 219 S C -0.628 173.987 174.600 0.025 0.000 1.283 219 S CA -0.592 57.610 58.200 0.004 0.000 1.072 219 S CB 0.239 63.438 63.200 -0.003 0.000 0.867 219 S HN 0.367 nan 8.310 nan 0.000 0.492 220 D N 2.232 122.654 120.400 0.036 0.000 2.308 220 D HA 0.326 4.966 4.640 0.001 0.000 0.242 220 D C -0.025 176.353 176.300 0.129 0.000 1.059 220 D CA -0.679 53.369 54.000 0.079 0.000 0.830 220 D CB 0.586 41.426 40.800 0.067 0.000 1.161 220 D HN 0.543 nan 8.370 nan 0.000 0.494 221 F N 2.308 122.252 119.950 -0.010 0.000 1.891 221 F HA -0.218 4.309 4.527 0.001 0.000 0.205 221 F C -0.537 175.258 175.800 -0.007 0.000 0.957 221 F CA -0.299 57.696 58.000 -0.008 0.000 0.612 221 F CB -0.175 38.820 39.000 -0.008 0.000 0.630 221 F HN 0.371 nan 8.300 nan 0.000 0.712 222 A N 8.455 131.070 122.820 -0.341 0.000 3.159 222 A HA 0.521 4.842 4.320 0.001 0.000 0.330 222 A C -2.163 175.170 177.584 -0.418 0.000 1.032 222 A CA -0.787 51.006 52.037 -0.406 0.000 0.841 222 A CB -0.259 18.640 19.000 -0.169 0.000 1.093 222 A HN 0.558 nan 8.150 nan 0.000 0.478 223 P HA 0.313 nan 4.420 nan 0.000 0.272 223 P C -0.427 176.755 177.300 -0.197 0.000 1.223 223 P CA -0.248 62.643 63.100 -0.349 0.000 0.784 223 P CB 0.968 32.447 31.700 -0.368 0.000 0.923 224 L N 1.982 123.153 121.223 -0.088 0.000 2.439 224 L HA 0.367 4.708 4.340 0.001 0.000 0.261 224 L C 0.252 177.093 176.870 -0.050 0.000 1.153 224 L CA 0.518 55.321 54.840 -0.061 0.000 0.808 224 L CB 0.353 42.394 42.059 -0.031 0.000 1.126 224 L HN 0.530 nan 8.230 nan 0.000 0.460 225 D N 2.592 122.965 120.400 -0.046 0.000 2.936 225 D HA 0.376 5.016 4.640 0.001 0.000 0.238 225 D C -2.068 174.208 176.300 -0.040 0.000 1.248 225 D CA -1.402 52.575 54.000 -0.038 0.000 0.903 225 D CB 2.159 42.932 40.800 -0.044 0.000 1.544 225 D HN 0.181 nan 8.370 nan 0.000 0.543 226 P HA -0.190 nan 4.420 nan 0.000 0.216 226 P C 1.458 178.711 177.300 -0.079 0.000 1.150 226 P CA 0.680 63.749 63.100 -0.051 0.000 0.843 226 P CB 0.347 32.020 31.700 -0.046 0.000 0.787 227 V N 0.847 120.711 119.914 -0.083 0.000 2.343 227 V HA -0.203 3.917 4.120 0.001 0.000 0.247 227 V C 2.968 179.010 176.094 -0.087 0.000 1.051 227 V CA 2.726 64.958 62.300 -0.113 0.000 1.036 227 V CB -1.996 29.775 31.823 -0.087 0.000 0.654 227 V HN 0.328 nan 8.190 nan 0.000 0.451 228 T N -2.950 111.569 114.554 -0.058 0.000 2.951 228 T HA -0.173 4.177 4.350 0.001 0.000 0.268 228 T C 1.816 176.492 174.700 -0.040 0.000 1.073 228 T CA 0.843 62.917 62.100 -0.044 0.000 1.134 228 T CB -0.186 68.659 68.868 -0.039 0.000 0.884 228 T HN 0.361 nan 8.240 nan 0.000 0.479 229 Q N 1.239 121.012 119.800 -0.044 0.000 2.050 229 Q HA 0.082 4.422 4.340 0.001 0.000 0.202 229 Q C 2.800 178.777 176.000 -0.038 0.000 0.980 229 Q CA 1.817 57.599 55.803 -0.035 0.000 0.840 229 Q CB -0.956 27.761 28.738 -0.034 0.000 0.898 229 Q HN 0.723 nan 8.270 nan 0.000 0.424 230 A N 1.107 123.890 122.820 -0.062 0.000 1.858 230 A HA -0.174 4.147 4.320 0.001 0.000 0.216 230 A C 2.222 179.776 177.584 -0.050 0.000 1.190 230 A CA 1.326 53.319 52.037 -0.073 0.000 0.617 230 A CB -0.838 18.077 19.000 -0.143 0.000 0.827 230 A HN 0.308 nan 8.150 nan 0.000 0.443 231 I N -0.262 120.277 120.570 -0.052 0.000 2.118 231 I HA -0.277 3.893 4.170 0.001 0.000 0.241 231 I C 2.728 178.843 176.117 -0.004 0.000 1.070 231 I CA 1.370 62.657 61.300 -0.023 0.000 1.327 231 I CB -0.755 37.236 38.000 -0.016 0.000 1.034 231 I HN 0.428 nan 8.210 nan 0.000 0.405 232 G N 0.016 108.813 108.800 -0.006 0.000 2.442 232 G HA2 -0.348 3.612 3.960 0.001 0.000 0.219 232 G HA3 -0.348 3.612 3.960 0.001 0.000 0.219 232 G C 1.259 176.168 174.900 0.014 0.000 1.141 232 G CA 1.399 46.502 45.100 0.005 0.000 0.763 232 G HN 0.412 nan 8.290 nan 0.000 0.554 233 D N 0.284 120.689 120.400 0.008 0.000 2.117 233 D HA -0.087 4.554 4.640 0.001 0.000 0.198 233 D C 2.328 178.648 176.300 0.033 0.000 0.982 233 D CA 0.970 54.979 54.000 0.015 0.000 0.828 233 D CB -0.048 40.756 40.800 0.006 0.000 0.967 233 D HN 0.115 nan 8.370 nan 0.000 0.464 234 N N -0.050 118.669 118.700 0.033 0.000 2.104 234 N HA -0.132 4.609 4.740 0.001 0.000 0.190 234 N C 1.949 177.519 175.510 0.101 0.000 1.024 234 N CA 0.810 53.895 53.050 0.057 0.000 0.853 234 N CB -0.467 38.039 38.487 0.033 0.000 1.008 234 N HN 0.166 nan 8.380 nan 0.000 0.424 235 V N 1.578 121.541 119.914 0.082 0.000 2.261 235 V HA -0.212 3.909 4.120 0.001 0.000 0.246 235 V C 2.472 178.657 176.094 0.151 0.000 1.047 235 V CA 1.927 64.302 62.300 0.125 0.000 1.015 235 V CB -1.095 30.770 31.823 0.070 0.000 0.642 235 V HN 0.310 nan 8.190 nan 0.000 0.446 236 A N -0.025 122.839 122.820 0.074 0.000 1.902 236 A HA -0.117 4.204 4.320 0.001 0.000 0.217 236 A C 2.399 179.996 177.584 0.021 0.000 1.181 236 A CA 2.199 54.251 52.037 0.025 0.000 0.623 236 A CB -0.833 18.166 19.000 -0.001 0.000 0.818 236 A HN 0.592 nan 8.150 nan 0.000 0.443 237 A N -1.296 121.557 122.820 0.055 0.000 1.969 237 A HA 0.021 4.341 4.320 0.001 0.000 0.218 237 A C 2.007 179.646 177.584 0.091 0.000 1.169 237 A CA 1.533 53.601 52.037 0.051 0.000 0.635 237 A CB -0.663 18.374 19.000 0.061 0.000 0.810 237 A HN 0.727 nan 8.150 nan 0.000 0.445 238 F N 0.397 120.351 119.950 0.006 0.000 2.102 238 F HA -0.127 4.400 4.527 0.001 0.000 0.298 238 F C 1.723 177.538 175.800 0.026 0.000 1.105 238 F CA 1.406 59.419 58.000 0.023 0.000 1.239 238 F CB -0.423 38.598 39.000 0.035 0.000 0.991 238 F HN 0.133 nan 8.300 nan 0.000 0.474 239 L N 0.615 121.757 121.223 -0.135 0.000 2.012 239 L HA -0.165 4.175 4.340 0.001 0.000 0.210 239 L C 2.889 179.627 176.870 -0.220 0.000 1.073 239 L CA 2.017 56.730 54.840 -0.211 0.000 0.748 239 L CB -1.616 40.461 42.059 0.030 0.000 0.891 239 L HN 0.323 nan 8.230 nan 0.000 0.431 240 V N -3.650 116.153 119.914 -0.185 0.000 2.407 240 V HA -0.223 3.898 4.120 0.001 0.000 0.248 240 V C 2.535 178.544 176.094 -0.143 0.000 1.055 240 V CA 1.944 64.136 62.300 -0.181 0.000 1.049 240 V CB -1.005 30.732 31.823 -0.143 0.000 0.662 240 V HN 0.462 nan 8.190 nan 0.000 0.455 241 S N -0.563 115.054 115.700 -0.138 0.000 2.399 241 S HA -0.096 4.375 4.470 0.001 0.000 0.231 241 S C 1.247 175.756 174.600 -0.150 0.000 1.022 241 S CA 0.730 58.866 58.200 -0.108 0.000 0.983 241 S CB -0.542 62.628 63.200 -0.050 0.000 0.803 241 S HN 0.781 nan 8.310 nan 0.000 0.480 245 A N 1.751 124.557 122.820 -0.023 0.000 2.169 245 A HA 0.469 4.789 4.320 0.001 0.000 0.212 245 A C 1.654 179.242 177.584 0.007 0.000 1.153 245 A CA 1.155 53.189 52.037 -0.006 0.000 0.756 245 A CB -0.364 18.631 19.000 -0.009 0.000 0.813 245 A HN 0.995 nan 8.150 nan 0.000 0.471 246 G N -0.983 107.822 108.800 0.007 0.000 2.141 246 G HA2 -0.254 3.707 3.960 0.001 0.000 0.242 246 G HA3 -0.254 3.707 3.960 0.001 0.000 0.242 246 G C 0.799 175.728 174.900 0.049 0.000 0.982 246 G CA 0.473 45.588 45.100 0.025 0.000 0.662 246 G HN 0.502 nan 8.290 nan 0.000 0.527 247 R N -0.612 119.917 120.500 0.048 0.000 2.334 247 R HA 0.498 4.839 4.340 0.001 0.000 0.216 247 R C 0.556 176.964 176.300 0.180 0.000 0.905 247 R CA 0.479 56.637 56.100 0.097 0.000 1.064 247 R CB 0.336 30.677 30.300 0.068 0.000 1.046 247 R HN 0.487 nan 8.270 nan 0.000 0.508 248 I N 1.552 122.181 120.570 0.098 0.000 2.644 248 I HA 0.267 4.437 4.170 0.001 0.000 0.291 248 I C -2.411 173.713 176.117 0.013 0.000 1.180 248 I CA -2.596 58.726 61.300 0.036 0.000 1.040 248 I CB 2.627 40.628 38.000 0.003 0.000 1.255 248 I HN -0.183 nan 8.210 nan 0.000 0.422 249 P HA 0.061 nan 4.420 nan 0.000 0.265 249 P C 0.096 177.412 177.300 0.026 0.000 1.193 249 P CA -0.225 62.876 63.100 0.002 0.000 0.765 249 P CB 0.993 32.679 31.700 -0.023 0.000 0.823 250 K N 1.522 121.936 120.400 0.023 0.000 2.173 250 K HA -0.162 4.159 4.320 0.001 0.000 0.207 250 K C 1.083 177.705 176.600 0.037 0.000 1.046 250 K CA 1.613 57.911 56.287 0.018 0.000 0.929 250 K CB -0.433 32.072 32.500 0.009 0.000 0.720 250 K HN 0.461 nan 8.250 nan 0.000 0.453 251 D N -0.946 119.488 120.400 0.056 0.000 2.336 251 D HA 0.055 4.695 4.640 0.001 0.000 0.229 251 D C 0.258 176.676 176.300 0.197 0.000 1.061 251 D CA 0.107 54.160 54.000 0.088 0.000 0.875 251 D CB -0.110 40.726 40.800 0.061 0.000 0.904 251 D HN 0.151 nan 8.370 nan 0.000 0.525 252 F N -1.121 118.795 119.950 -0.057 0.000 2.183 252 F HA -0.346 4.182 4.527 0.001 0.000 0.318 252 F C -1.146 174.591 175.800 -0.105 0.000 0.255 252 F CA -0.359 57.590 58.000 -0.084 0.000 0.912 252 F CB -0.299 38.680 39.000 -0.035 0.000 4.135 252 F HN -0.121 nan 8.300 nan 0.000 0.137 253 L N 0.744 121.648 121.223 -0.531 0.000 2.397 253 L HA 0.608 4.948 4.340 0.001 0.000 0.251 253 L C -2.397 174.196 176.870 -0.461 0.000 1.064 253 L CA -1.854 52.714 54.840 -0.455 0.000 0.859 253 L CB 1.289 43.026 42.059 -0.537 0.000 1.468 253 L HN 0.184 nan 8.230 nan 0.000 0.411 254 P HA 0.359 nan 4.420 nan 0.000 0.271 254 P C -1.040 176.181 177.300 -0.131 0.000 1.218 254 P CA -0.033 63.027 63.100 -0.067 0.000 0.780 254 P CB 0.482 32.198 31.700 0.026 0.000 0.901 255 L N 1.979 123.184 121.223 -0.030 0.000 2.319 255 L HA 0.612 4.952 4.340 0.001 0.000 0.267 255 L C 0.029 176.885 176.870 -0.023 0.000 1.011 255 L CA -0.755 54.038 54.840 -0.079 0.000 0.818 255 L CB 1.857 43.849 42.059 -0.112 0.000 1.316 255 L HN 0.311 nan 8.230 nan 0.000 0.432 256 Q N 1.944 121.673 119.800 -0.119 0.000 2.289 256 Q HA 0.527 4.867 4.340 0.001 0.000 0.270 256 Q C -1.699 174.145 176.000 -0.259 0.000 1.038 256 Q CA -0.347 55.299 55.803 -0.262 0.000 0.812 256 Q CB 2.563 30.972 28.738 -0.549 0.000 1.300 256 Q HN 0.781 nan 8.270 nan 0.000 0.427 257 S N 1.531 117.096 115.700 -0.226 0.000 2.588 257 S HA 0.884 5.355 4.470 0.001 0.000 0.275 257 S C 0.046 174.555 174.600 -0.151 0.000 1.130 257 S CA -0.155 57.947 58.200 -0.164 0.000 0.855 257 S CB 1.548 64.700 63.200 -0.080 0.000 1.116 257 S HN 0.702 nan 8.310 nan 0.000 0.472 258 G N 0.231 108.968 108.800 -0.106 0.000 2.494 258 G HA2 0.558 4.518 3.960 0.001 0.000 0.270 258 G HA3 0.558 4.518 3.960 0.001 0.000 0.270 258 G C -0.805 174.076 174.900 -0.032 0.000 1.423 258 G CA -0.645 44.419 45.100 -0.059 0.000 1.055 258 G HN 0.919 nan 8.290 nan 0.000 0.536 259 V N -0.404 119.505 119.914 -0.009 0.000 2.667 259 V HA 0.866 4.986 4.120 0.001 0.000 0.308 259 V C 0.765 176.858 176.094 -0.001 0.000 1.048 259 V CA 0.785 63.082 62.300 -0.005 0.000 0.928 259 V CB 0.788 32.612 31.823 0.001 0.000 1.004 259 V HN 1.698 nan 8.190 nan 0.000 0.444 260 G N 3.086 111.881 108.800 -0.009 0.000 2.361 260 G HA2 -0.072 3.889 3.960 0.001 0.000 0.331 260 G HA3 -0.072 3.889 3.960 0.001 0.000 0.331 260 G C -0.033 174.852 174.900 -0.024 0.000 1.324 260 G CA -0.066 45.026 45.100 -0.014 0.000 0.984 260 G HN 0.564 nan 8.290 nan 0.000 0.586 261 N N -0.953 117.726 118.700 -0.035 0.000 2.120 261 N HA -0.097 4.643 4.740 0.001 0.000 0.188 261 N C 2.368 177.859 175.510 -0.031 0.000 1.024 261 N CA 1.404 54.426 53.050 -0.045 0.000 0.852 261 N CB 0.009 38.459 38.487 -0.063 0.000 1.003 261 N HN 0.308 nan 8.380 nan 0.000 0.424 262 V N 1.581 121.483 119.914 -0.021 0.000 2.261 262 V HA -0.247 3.873 4.120 0.001 0.000 0.246 262 V C 2.449 178.537 176.094 -0.010 0.000 1.047 262 V CA 1.981 64.273 62.300 -0.013 0.000 1.015 262 V CB -0.987 30.834 31.823 -0.004 0.000 0.642 262 V HN 0.340 nan 8.190 nan 0.000 0.446 263 A N 0.401 123.215 122.820 -0.011 0.000 1.892 263 A HA -0.342 3.978 4.320 0.001 0.000 0.218 263 A C 2.038 179.623 177.584 0.001 0.000 1.188 263 A CA 2.634 54.665 52.037 -0.009 0.000 0.631 263 A CB -1.052 17.939 19.000 -0.014 0.000 0.822 263 A HN 0.723 nan 8.150 nan 0.000 0.447 264 N N -0.167 118.531 118.700 -0.004 0.000 2.166 264 N HA -0.081 4.659 4.740 0.001 0.000 0.186 264 N C 1.947 177.461 175.510 0.007 0.000 1.019 264 N CA 1.006 54.056 53.050 0.001 0.000 0.856 264 N CB -0.248 38.230 38.487 -0.015 0.000 0.993 264 N HN 0.536 nan 8.380 nan 0.000 0.426 265 A N 0.777 123.596 122.820 -0.003 0.000 1.898 265 A HA -0.058 4.262 4.320 0.001 0.000 0.216 265 A C 2.414 180.005 177.584 0.012 0.000 1.181 265 A CA 0.965 53.002 52.037 -0.000 0.000 0.620 265 A CB -0.669 18.324 19.000 -0.012 0.000 0.819 265 A HN 0.079 nan 8.150 nan 0.000 0.442 266 V N 0.234 120.155 119.914 0.013 0.000 2.261 266 V HA -0.279 3.842 4.120 0.001 0.000 0.246 266 V C 2.589 178.706 176.094 0.039 0.000 1.047 266 V CA 2.068 64.379 62.300 0.018 0.000 1.015 266 V CB -0.843 30.985 31.823 0.008 0.000 0.642 266 V HN 0.574 nan 8.190 nan 0.000 0.446 267 L N 0.321 121.580 121.223 0.059 0.000 2.042 267 L HA -0.137 4.203 4.340 0.001 0.000 0.210 267 L C 2.640 179.585 176.870 0.125 0.000 1.076 267 L CA 1.867 56.780 54.840 0.122 0.000 0.749 267 L CB -1.170 40.960 42.059 0.118 0.000 0.893 267 L HN 0.487 nan 8.230 nan 0.000 0.432 268 G N -0.640 108.204 108.800 0.074 0.000 2.421 268 G HA2 -0.241 3.720 3.960 0.001 0.000 0.216 268 G HA3 -0.241 3.720 3.960 0.001 0.000 0.216 268 G C 1.774 176.710 174.900 0.059 0.000 1.171 268 G CA 0.799 45.935 45.100 0.061 0.000 0.775 268 G HN 0.472 nan 8.290 nan 0.000 0.543 269 A N 0.695 123.542 122.820 0.044 0.000 1.883 269 A HA 0.029 4.350 4.320 0.001 0.000 0.217 269 A C 2.463 180.069 177.584 0.037 0.000 1.186 269 A CA 1.452 53.508 52.037 0.031 0.000 0.624 269 A CB -0.492 18.520 19.000 0.020 0.000 0.822 269 A HN 0.358 nan 8.150 nan 0.000 0.444 270 L N -0.691 120.562 121.223 0.049 0.000 2.012 270 L HA -0.172 4.168 4.340 0.001 0.000 0.210 270 L C 2.852 179.808 176.870 0.143 0.000 1.073 270 L CA 1.293 56.159 54.840 0.044 0.000 0.748 270 L CB -0.908 41.146 42.059 -0.008 0.000 0.891 270 L HN 0.495 nan 8.230 nan 0.000 0.431 271 G N -0.864 108.054 108.800 0.196 0.000 2.432 271 G HA2 -0.242 3.719 3.960 0.001 0.000 0.219 271 G HA3 -0.242 3.719 3.960 0.001 0.000 0.219 271 G C 1.082 176.033 174.900 0.086 0.000 1.135 271 G CA 0.863 46.062 45.100 0.166 0.000 0.767 271 G HN 0.295 nan 8.290 nan 0.000 0.550 272 D N -0.338 120.098 120.400 0.059 0.000 2.349 272 D HA 0.019 4.660 4.640 0.001 0.000 0.215 272 D C 0.548 176.859 176.300 0.018 0.000 1.016 272 D CA -0.020 53.999 54.000 0.032 0.000 0.870 272 D CB 0.060 40.874 40.800 0.024 0.000 0.917 272 D HN 0.128 nan 8.370 nan 0.000 0.524 273 N N 1.394 120.101 118.700 0.012 0.000 2.462 273 N HA 0.064 4.804 4.740 0.001 0.000 0.242 273 N C -1.775 173.722 175.510 -0.021 0.000 1.010 273 N CA -1.559 51.483 53.050 -0.013 0.000 0.939 273 N CB 1.907 40.372 38.487 -0.036 0.000 1.127 273 N HN -0.081 nan 8.380 nan 0.000 0.509 274 P HA -0.096 nan 4.420 nan 0.000 0.221 274 P C 0.221 177.496 177.300 -0.042 0.000 1.145 274 P CA 0.982 64.071 63.100 -0.018 0.000 0.795 274 P CB 0.551 32.244 31.700 -0.013 0.000 0.775 275 D N -0.561 119.801 120.400 -0.064 0.000 2.363 275 D HA 0.027 4.667 4.640 0.001 0.000 0.220 275 D C 0.737 176.936 176.300 -0.168 0.000 0.994 275 D CA 0.501 54.444 54.000 -0.095 0.000 0.890 275 D CB 0.157 40.902 40.800 -0.091 0.000 0.906 275 D HN 0.200 nan 8.370 nan 0.000 0.530 276 I N 3.827 124.289 120.570 -0.179 0.000 2.297 276 I HA 0.157 4.327 4.170 0.001 0.000 0.291 276 I C -1.987 174.041 176.117 -0.148 0.000 1.033 276 I CA -2.144 58.962 61.300 -0.323 0.000 1.253 276 I CB 0.965 38.788 38.000 -0.295 0.000 1.396 276 I HN -0.251 nan 8.210 nan 0.000 0.476 277 P HA 0.116 nan 4.420 nan 0.000 0.272 277 P C -0.334 177.086 177.300 0.199 0.000 1.223 277 P CA -0.447 62.667 63.100 0.024 0.000 0.784 277 P CB 0.865 32.580 31.700 0.025 0.000 0.923 278 A N 2.806 125.717 122.820 0.151 0.000 2.584 278 A HA 0.294 4.614 4.320 0.001 0.000 0.239 278 A C 0.186 177.919 177.584 0.248 0.000 1.043 278 A CA 0.366 52.478 52.037 0.124 0.000 0.756 278 A CB -1.213 17.811 19.000 0.039 0.000 0.963 278 A HN 0.522 nan 8.150 nan 0.000 0.511 279 F N 0.701 120.740 119.950 0.149 0.000 2.631 279 F HA 0.770 5.298 4.527 0.001 0.000 0.328 279 F C -0.274 175.612 175.800 0.144 0.000 1.067 279 F CA -1.448 56.670 58.000 0.197 0.000 0.969 279 F CB 1.247 40.462 39.000 0.358 0.000 1.332 279 F HN 0.522 nan 8.300 nan 0.000 0.490 283 T N -2.749 111.731 114.554 -0.124 0.000 2.893 283 T HA 0.468 4.818 4.350 0.001 0.000 0.281 283 T C 0.839 175.459 174.700 -0.133 0.000 1.027 283 T CA -0.190 61.798 62.100 -0.187 0.000 0.953 283 T CB 1.852 70.629 68.868 -0.152 0.000 1.434 283 T HN 0.402 nan 8.240 nan 0.000 0.597 284 E N -0.579 119.563 120.200 -0.098 0.000 2.083 284 E HA 0.243 4.593 4.350 0.001 0.000 0.193 284 E C 0.472 177.083 176.600 0.019 0.000 0.950 284 E CA 0.247 56.652 56.400 0.009 0.000 0.849 284 E CB 0.408 30.224 29.700 0.193 0.000 0.827 284 E HN 0.460 nan 8.360 nan 0.000 0.465 285 V N 1.044 121.002 119.914 0.073 0.000 2.495 285 V HA 0.435 4.555 4.120 0.001 0.000 0.298 285 V C -0.782 175.317 176.094 0.008 0.000 1.031 285 V CA -0.755 61.596 62.300 0.086 0.000 0.871 285 V CB 1.276 33.187 31.823 0.146 0.000 0.988 285 V HN 0.085 nan 8.190 nan 0.000 0.432 286 I N 7.719 128.282 120.570 -0.010 0.000 2.337 286 I HA 0.372 4.543 4.170 0.001 0.000 0.291 286 I C 0.530 176.636 176.117 -0.018 0.000 1.046 286 I CA -0.224 61.057 61.300 -0.031 0.000 1.324 286 I CB 1.110 39.072 38.000 -0.063 0.000 1.409 286 I HN 0.824 nan 8.210 nan 0.000 0.494 287 Q N 4.691 124.483 119.800 -0.013 0.000 2.286 287 Q HA 0.306 4.646 4.340 0.001 0.000 0.250 287 Q C -0.222 175.768 176.000 -0.015 0.000 1.021 287 Q CA -0.661 55.134 55.803 -0.013 0.000 0.930 287 Q CB 1.048 29.782 28.738 -0.007 0.000 1.266 287 Q HN 0.440 nan 8.270 nan 0.000 0.491 288 D N 1.022 121.410 120.400 -0.019 0.000 2.116 288 D HA -0.151 4.489 4.640 0.001 0.000 0.193 288 D C 1.803 178.105 176.300 0.003 0.000 0.998 288 D CA 2.398 56.388 54.000 -0.018 0.000 0.836 288 D CB -0.491 40.296 40.800 -0.022 0.000 0.951 288 D HN 0.689 nan 8.370 nan 0.000 0.449 289 A N 0.479 123.304 122.820 0.007 0.000 1.948 289 A HA -0.196 4.124 4.320 0.001 0.000 0.220 289 A C 2.522 180.129 177.584 0.038 0.000 1.177 289 A CA 1.562 53.613 52.037 0.023 0.000 0.636 289 A CB -0.759 18.256 19.000 0.025 0.000 0.815 289 A HN 0.186 nan 8.150 nan 0.000 0.449 290 V N 0.446 120.379 119.914 0.032 0.000 2.379 290 V HA -0.205 3.915 4.120 0.001 0.000 0.245 290 V C 2.427 178.543 176.094 0.037 0.000 1.044 290 V CA 1.590 63.909 62.300 0.031 0.000 1.036 290 V CB -0.594 31.237 31.823 0.013 0.000 0.664 290 V HN 0.523 nan 8.190 nan 0.000 0.453 291 I N 0.887 121.487 120.570 0.051 0.000 2.208 291 I HA -0.247 3.924 4.170 0.001 0.000 0.245 291 I C 2.748 178.952 176.117 0.145 0.000 1.097 291 I CA 2.016 63.391 61.300 0.126 0.000 1.363 291 I CB -1.733 36.307 38.000 0.068 0.000 1.051 291 I HN 0.314 nan 8.210 nan 0.000 0.413 292 A N 1.234 124.102 122.820 0.080 0.000 1.883 292 A HA -0.124 4.196 4.320 0.001 0.000 0.217 292 A C 1.731 179.348 177.584 0.056 0.000 1.186 292 A CA 0.920 52.995 52.037 0.064 0.000 0.624 292 A CB -0.829 18.193 19.000 0.037 0.000 0.822 292 A HN 0.309 nan 8.150 nan 0.000 0.444 296 K N 1.185 121.597 120.400 0.020 0.000 2.410 296 K HA 0.155 4.476 4.320 0.001 0.000 0.200 296 K C 0.833 177.441 176.600 0.014 0.000 1.023 296 K CA 0.651 56.939 56.287 0.003 0.000 1.149 296 K CB 0.908 33.410 32.500 0.003 0.000 0.859 296 K HN 0.377 nan 8.250 nan 0.000 0.514 297 G N 2.468 111.294 108.800 0.044 0.000 2.175 297 G HA2 -0.361 3.600 3.960 0.001 0.000 0.265 297 G HA3 -0.361 3.600 3.960 0.001 0.000 0.265 297 G C 1.013 175.895 174.900 -0.030 0.000 0.979 297 G CA 1.012 46.128 45.100 0.027 0.000 0.663 297 G HN 0.313 nan 8.290 nan 0.000 0.533 298 R N 0.309 120.777 120.500 -0.054 0.000 2.092 298 R HA 0.249 4.590 4.340 0.001 0.000 0.231 298 R C 1.137 177.236 176.300 -0.335 0.000 1.119 298 R CA 1.221 57.255 56.100 -0.109 0.000 0.970 298 R CB -0.131 30.134 30.300 -0.057 0.000 0.864 298 R HN 0.500 nan 8.270 nan 0.000 0.440 299 I N 1.304 121.666 120.570 -0.347 0.000 2.362 299 I HA 0.169 4.340 4.170 0.001 0.000 0.289 299 I C 0.543 176.532 176.117 -0.214 0.000 0.994 299 I CA -0.481 60.522 61.300 -0.496 0.000 1.158 299 I CB 2.112 39.854 38.000 -0.431 0.000 1.315 299 I HN 0.097 nan 8.210 nan 0.000 0.451 300 K N 4.719 125.034 120.400 -0.143 0.000 2.186 300 K HA 0.124 4.444 4.320 0.001 0.000 0.202 300 K C -0.241 176.401 176.600 0.070 0.000 1.052 300 K CA 1.100 57.370 56.287 -0.028 0.000 0.965 300 K CB 0.386 32.896 32.500 0.018 0.000 0.746 300 K HN 0.434 nan 8.250 nan 0.000 0.457 301 F N -0.993 118.897 119.950 -0.100 0.000 2.719 301 F HA 0.493 5.020 4.527 0.001 0.000 0.309 301 F C -2.132 173.651 175.800 -0.030 0.000 1.138 301 F CA -1.092 56.868 58.000 -0.066 0.000 0.943 301 F CB 1.326 40.305 39.000 -0.036 0.000 1.304 301 F HN -0.234 nan 8.300 nan 0.000 0.445 302 A N 3.037 125.252 122.820 -1.009 0.000 2.375 302 A HA 0.648 4.968 4.320 0.001 0.000 0.295 302 A C -1.436 175.719 177.584 -0.715 0.000 1.066 302 A CA -0.412 51.279 52.037 -0.577 0.000 0.722 302 A CB 1.407 20.209 19.000 -0.330 0.000 1.206 302 A HN 0.809 nan 8.150 nan 0.000 0.435 303 S N 1.578 117.132 115.700 -0.243 0.000 2.475 303 S HA 0.869 5.339 4.470 0.001 0.000 0.298 303 S C 0.286 174.737 174.600 -0.248 0.000 1.119 303 S CA 0.367 58.483 58.200 -0.140 0.000 1.085 303 S CB 1.150 64.411 63.200 0.102 0.000 1.028 303 S HN 1.935 nan 8.310 nan 0.000 0.489 304 G N 0.894 109.551 108.800 -0.238 0.000 2.619 304 G HA2 0.371 4.331 3.960 0.001 0.000 0.305 304 G HA3 0.371 4.331 3.960 0.001 0.000 0.305 304 G C -0.050 174.721 174.900 -0.216 0.000 1.330 304 G CA 0.029 44.995 45.100 -0.223 0.000 0.789 304 G HN 0.770 nan 8.290 nan 0.000 0.487 305 C N -0.038 119.110 119.300 -0.253 0.000 3.019 305 C HA 0.696 5.156 4.460 0.001 0.000 0.295 305 C C 0.955 175.853 174.990 -0.153 0.000 1.256 305 C CA 1.011 59.814 59.018 -0.358 0.000 1.706 305 C CB -1.164 25.995 27.740 -0.968 0.000 2.153 305 C HN 1.229 nan 8.230 nan 0.000 0.618 306 S N -0.028 115.661 115.700 -0.019 0.000 2.547 306 S HA 0.600 5.071 4.470 0.001 0.000 0.270 306 S C -1.391 173.238 174.600 0.048 0.000 1.150 306 S CA -0.530 57.728 58.200 0.097 0.000 0.850 306 S CB 1.292 64.659 63.200 0.278 0.000 1.118 306 S HN 0.202 nan 8.310 nan 0.000 0.461 307 L N 2.406 123.652 121.223 0.038 0.000 2.335 307 L HA 0.606 4.946 4.340 0.001 0.000 0.268 307 L C -0.483 176.394 176.870 0.012 0.000 1.037 307 L CA 0.076 54.916 54.840 -0.001 0.000 0.895 307 L CB 0.871 42.916 42.059 -0.024 0.000 1.266 307 L HN 0.766 nan 8.230 nan 0.000 0.439 308 S N 4.233 119.943 115.700 0.016 0.000 3.170 308 S HA 0.479 4.949 4.470 0.001 0.000 0.257 308 S C -0.109 174.482 174.600 -0.014 0.000 1.284 308 S CA -0.462 57.746 58.200 0.013 0.000 0.973 308 S CB -0.030 63.185 63.200 0.025 0.000 1.330 308 S HN 0.497 nan 8.310 nan 0.000 0.493 309 V N 0.341 120.234 119.914 -0.035 0.000 3.019 309 V HA 0.818 4.938 4.120 0.001 0.000 0.317 309 V C 0.345 176.404 176.094 -0.059 0.000 1.094 309 V CA -1.221 61.044 62.300 -0.059 0.000 1.000 309 V CB 1.481 33.242 31.823 -0.104 0.000 1.060 309 V HN 0.582 nan 8.190 nan 0.000 0.443 310 S N 1.573 117.238 115.700 -0.059 0.000 2.596 310 S HA 0.246 4.716 4.470 0.001 0.000 0.260 310 S C 1.068 175.623 174.600 -0.076 0.000 1.336 310 S CA 0.346 58.515 58.200 -0.052 0.000 0.993 310 S CB 0.595 63.771 63.200 -0.040 0.000 0.923 310 S HN 1.042 nan 8.310 nan 0.000 0.567 311 R N 0.410 120.874 120.500 -0.061 0.000 2.105 311 R HA -0.122 4.218 4.340 0.001 0.000 0.239 311 R C 2.442 178.685 176.300 -0.094 0.000 1.135 311 R CA 1.736 57.790 56.100 -0.076 0.000 0.967 311 R CB -0.814 29.457 30.300 -0.047 0.000 0.861 311 R HN 0.770 nan 8.270 nan 0.000 0.442 312 S N -0.434 115.221 115.700 -0.074 0.000 2.368 312 S HA -0.082 4.388 4.470 0.001 0.000 0.225 312 S C 1.872 176.408 174.600 -0.106 0.000 1.030 312 S CA 1.431 59.587 58.200 -0.072 0.000 0.999 312 S CB -0.089 63.083 63.200 -0.047 0.000 0.844 312 S HN 0.252 nan 8.310 nan 0.000 0.459 313 V N 1.306 121.146 119.914 -0.124 0.000 2.379 313 V HA -0.031 4.090 4.120 0.001 0.000 0.245 313 V C 2.330 178.251 176.094 -0.288 0.000 1.044 313 V CA 1.548 63.745 62.300 -0.171 0.000 1.036 313 V CB -0.588 31.152 31.823 -0.139 0.000 0.664 313 V HN 0.519 nan 8.190 nan 0.000 0.453 314 I N 0.030 120.415 120.570 -0.308 0.000 2.394 314 I HA -0.224 3.946 4.170 0.001 0.000 0.251 314 I C 2.414 178.170 176.117 -0.601 0.000 1.136 314 I CA 1.660 62.647 61.300 -0.522 0.000 1.425 314 I CB -0.330 37.396 38.000 -0.456 0.000 1.079 314 I HN 0.353 nan 8.210 nan 0.000 0.425 315 Q N -0.548 119.063 119.800 -0.316 0.000 2.172 315 Q HA -0.217 4.124 4.340 0.001 0.000 0.200 315 Q C 1.775 177.698 176.000 -0.129 0.000 0.964 315 Q CA 1.619 57.321 55.803 -0.168 0.000 0.855 315 Q CB -0.218 28.470 28.738 -0.084 0.000 0.918 315 Q HN 0.534 nan 8.270 nan 0.000 0.444 316 D N 0.872 121.169 120.400 -0.172 0.000 2.144 316 D HA -0.115 4.526 4.640 0.001 0.000 0.200 316 D C 1.672 177.860 176.300 -0.188 0.000 0.978 316 D CA 0.900 54.827 54.000 -0.122 0.000 0.833 316 D CB 0.000 40.735 40.800 -0.108 0.000 0.961 316 D HN 0.163 nan 8.370 nan 0.000 0.470 317 I N -0.515 119.773 120.570 -0.470 0.000 2.163 317 I HA -0.278 3.893 4.170 0.001 0.000 0.240 317 I C 1.939 178.028 176.117 -0.046 0.000 1.081 317 I CA 0.983 61.894 61.300 -0.649 0.000 1.353 317 I CB -0.475 37.060 38.000 -0.774 0.000 1.054 317 I HN 0.137 nan 8.210 nan 0.000 0.407 318 Y N 0.416 120.653 120.300 -0.106 0.000 2.403 318 Y HA -0.177 4.374 4.550 0.001 0.000 0.291 318 Y C 2.471 178.379 175.900 0.014 0.000 1.143 318 Y CA 0.164 58.249 58.100 -0.026 0.000 1.257 318 Y CB -0.177 38.260 38.460 -0.039 0.000 0.984 318 Y HN 0.210 nan 8.280 nan 0.000 0.550 319 A N -0.569 122.352 122.820 0.168 0.000 2.238 319 A HA 0.040 4.361 4.320 0.001 0.000 0.210 319 A C 0.688 178.364 177.584 0.153 0.000 1.179 319 A CA 0.284 52.396 52.037 0.125 0.000 0.827 319 A CB -0.014 19.034 19.000 0.079 0.000 0.856 319 A HN 0.297 nan 8.150 nan 0.000 0.488 320 N N 0.166 119.004 118.700 0.231 0.000 2.646 320 N HA 0.167 4.907 4.740 0.001 0.000 0.303 320 N C -0.168 175.607 175.510 0.441 0.000 1.921 320 N CA -0.210 53.040 53.050 0.332 0.000 0.872 320 N CB 1.059 39.817 38.487 0.452 0.000 1.327 320 N HN 0.090 nan 8.380 nan 0.000 0.492 321 L N 1.314 122.713 121.223 0.295 0.000 2.353 321 L HA -0.121 4.219 4.340 0.001 0.000 0.220 321 L C 2.053 179.051 176.870 0.213 0.000 1.133 321 L CA 1.523 56.520 54.840 0.262 0.000 0.798 321 L CB -0.355 41.804 42.059 0.166 0.000 0.922 321 L HN 0.318 nan 8.230 nan 0.000 0.445 322 D N -1.637 118.882 120.400 0.197 0.000 2.182 322 D HA -0.295 4.345 4.640 0.001 0.000 0.201 322 D C 2.058 178.449 176.300 0.151 0.000 0.986 322 D CA 1.327 55.415 54.000 0.147 0.000 0.847 322 D CB -0.357 40.522 40.800 0.131 0.000 0.942 322 D HN 0.402 nan 8.370 nan 0.000 0.467 323 F N -0.133 119.815 119.950 -0.003 0.000 2.453 323 F HA 0.180 4.707 4.527 0.001 0.000 0.284 323 F C 1.769 177.410 175.800 -0.265 0.000 1.065 323 F CA 0.054 57.937 58.000 -0.195 0.000 1.411 323 F CB 0.022 38.790 39.000 -0.387 0.000 1.131 323 F HN -0.277 nan 8.300 nan 0.000 0.582 324 F N 0.738 120.709 119.950 0.035 0.000 2.335 324 F HA 0.110 4.637 4.527 0.001 0.000 0.296 324 F C 2.324 178.075 175.800 -0.082 0.000 1.091 324 F CA 0.861 58.816 58.000 -0.076 0.000 1.399 324 F CB -0.774 38.262 39.000 0.061 0.000 1.067 324 F HN -0.189 nan 8.300 nan 0.000 0.520 325 K N 0.815 121.308 120.400 0.155 0.000 2.077 325 K HA -0.241 4.080 4.320 0.001 0.000 0.213 325 K C 1.296 177.924 176.600 0.047 0.000 1.051 325 K CA 2.119 58.460 56.287 0.089 0.000 0.929 325 K CB -0.327 32.223 32.500 0.084 0.000 0.715 325 K HN 0.360 nan 8.250 nan 0.000 0.451 326 D N -1.032 119.377 120.400 0.015 0.000 2.328 326 D HA -0.044 4.596 4.640 0.001 0.000 0.221 326 D C 0.579 176.946 176.300 0.112 0.000 1.072 326 D CA 0.364 54.392 54.000 0.046 0.000 0.850 326 D CB 0.385 41.186 40.800 0.001 0.000 0.922 326 D HN 0.249 nan 8.370 nan 0.000 0.516 327 K N -0.074 120.334 120.400 0.013 0.000 2.402 327 K HA 0.316 4.637 4.320 0.001 0.000 0.203 327 K C 0.370 176.727 176.600 -0.404 0.000 1.077 327 K CA 0.006 56.278 56.287 -0.026 0.000 1.051 327 K CB 1.629 33.974 32.500 -0.258 0.000 0.907 327 K HN 0.079 nan 8.250 nan 0.000 0.554 328 I N 1.667 122.071 120.570 -0.276 0.000 2.509 328 I HA 0.326 4.496 4.170 0.001 0.000 0.293 328 I C -1.435 174.528 176.117 -0.257 0.000 1.020 328 I CA -1.244 59.822 61.300 -0.391 0.000 1.088 328 I CB 2.039 39.942 38.000 -0.162 0.000 1.267 328 I HN -0.159 nan 8.210 nan 0.000 0.430 329 L N 7.260 128.306 121.223 -0.295 0.000 2.476 329 L HA 0.555 4.895 4.340 0.001 0.000 0.269 329 L C -1.435 175.379 176.870 -0.093 0.000 0.965 329 L CA -0.167 54.640 54.840 -0.056 0.000 0.845 329 L CB 1.757 43.964 42.059 0.247 0.000 1.259 329 L HN 0.423 nan 8.230 nan 0.000 0.403 330 L N 5.330 126.500 121.223 -0.088 0.000 2.295 330 L HA 0.652 4.992 4.340 0.001 0.000 0.285 330 L C -0.130 176.731 176.870 -0.014 0.000 1.035 330 L CA -0.652 54.152 54.840 -0.059 0.000 0.806 330 L CB 1.510 43.556 42.059 -0.022 0.000 1.214 330 L HN 0.632 nan 8.230 nan 0.000 0.426 331 R N 2.630 123.097 120.500 -0.054 0.000 2.892 331 R HA 0.586 4.926 4.340 0.001 0.000 0.265 331 R C -2.672 173.599 176.300 -0.049 0.000 1.025 331 R CA -2.034 54.039 56.100 -0.044 0.000 0.982 331 R CB 1.315 31.596 30.300 -0.032 0.000 1.185 331 R HN 0.283 nan 8.270 nan 0.000 0.484 332 P HA -0.023 nan 4.420 nan 0.000 0.274 332 P C -0.100 177.192 177.300 -0.013 0.000 1.231 332 P CA -0.282 62.832 63.100 0.022 0.000 0.790 332 P CB 0.644 32.414 31.700 0.118 0.000 0.951 333 Q N 1.641 121.374 119.800 -0.113 0.000 2.364 333 Q HA -0.247 4.093 4.340 0.001 0.000 0.209 333 Q C 1.541 177.500 176.000 -0.069 0.000 0.977 333 Q CA 1.515 57.219 55.803 -0.165 0.000 0.885 333 Q CB -0.574 28.070 28.738 -0.156 0.000 0.941 333 Q HN 0.545 nan 8.270 nan 0.000 0.464 334 E N 0.097 120.277 120.200 -0.032 0.000 2.204 334 E HA -0.192 4.159 4.350 0.001 0.000 0.195 334 E C 0.764 177.203 176.600 -0.267 0.000 0.990 334 E CA 1.131 57.446 56.400 -0.142 0.000 0.821 334 E CB 0.016 29.619 29.700 -0.162 0.000 0.750 334 E HN 0.582 nan 8.360 nan 0.000 0.477 335 Y N -0.316 119.952 120.300 -0.053 0.000 2.464 335 Y HA 0.049 4.600 4.550 0.001 0.000 0.288 335 Y C 2.751 178.659 175.900 0.013 0.000 1.133 335 Y CA 0.758 58.850 58.100 -0.012 0.000 1.223 335 Y CB -0.129 38.330 38.460 -0.002 0.000 1.187 335 Y HN 0.138 nan 8.280 nan 0.000 0.539 336 S N 0.248 115.987 115.700 0.065 0.000 2.419 336 S HA -0.165 4.305 4.470 0.001 0.000 0.235 336 S C 0.998 175.589 174.600 -0.015 0.000 1.019 336 S CA 1.786 59.920 58.200 -0.109 0.000 0.982 336 S CB -0.442 62.630 63.200 -0.213 0.000 0.789 336 S HN 0.380 nan 8.310 nan 0.000 0.490 337 N N 1.433 120.079 118.700 -0.089 0.000 2.234 337 N HA 0.244 4.984 4.740 0.001 0.000 0.227 337 N C -0.605 174.714 175.510 -0.318 0.000 1.151 337 N CA -0.207 52.634 53.050 -0.349 0.000 0.865 337 N CB -0.051 38.286 38.487 -0.250 0.000 1.066 337 N HN 0.384 nan 8.380 nan 0.000 0.515 338 N N 1.816 120.431 118.700 -0.140 0.000 2.452 338 N HA 0.048 4.788 4.740 0.001 0.000 0.266 338 N C -1.679 173.748 175.510 -0.138 0.000 1.209 338 N CA -1.138 51.825 53.050 -0.144 0.000 0.929 338 N CB 1.477 39.883 38.487 -0.134 0.000 1.063 338 N HN -0.032 nan 8.380 nan 0.000 0.472 339 P HA -0.172 nan 4.420 nan 0.000 0.216 339 P C 1.041 178.296 177.300 -0.075 0.000 1.153 339 P CA 1.238 64.272 63.100 -0.110 0.000 0.858 339 P CB 0.284 31.927 31.700 -0.094 0.000 0.789 340 E N -0.510 119.645 120.200 -0.075 0.000 2.038 340 E HA -0.196 4.154 4.350 0.001 0.000 0.195 340 E C 1.760 178.316 176.600 -0.074 0.000 1.000 340 E CA 1.359 57.721 56.400 -0.063 0.000 0.803 340 E CB -0.317 29.343 29.700 -0.067 0.000 0.750 340 E HN -0.007 nan 8.360 nan 0.000 0.448 341 I N 0.881 121.399 120.570 -0.087 0.000 2.202 341 I HA -0.194 3.976 4.170 0.001 0.000 0.242 341 I C 2.590 178.611 176.117 -0.160 0.000 1.091 341 I CA 0.696 61.913 61.300 -0.138 0.000 1.368 341 I CB -1.487 36.455 38.000 -0.098 0.000 1.058 341 I HN 0.085 nan 8.210 nan 0.000 0.410 342 V N 1.260 121.129 119.914 -0.076 0.000 2.252 342 V HA -0.304 3.817 4.120 0.001 0.000 0.249 342 V C 2.828 178.924 176.094 0.002 0.000 1.056 342 V CA 2.356 64.652 62.300 -0.007 0.000 1.022 342 V CB -0.845 30.985 31.823 0.013 0.000 0.641 342 V HN 0.373 nan 8.190 nan 0.000 0.445 343 R N -0.182 120.316 120.500 -0.004 0.000 2.092 343 R HA -0.148 4.192 4.340 0.001 0.000 0.231 343 R C 2.533 178.846 176.300 0.022 0.000 1.119 343 R CA 1.589 57.700 56.100 0.020 0.000 0.970 343 R CB -0.283 30.020 30.300 0.005 0.000 0.864 343 R HN 0.456 nan 8.270 nan 0.000 0.440 344 R N 0.450 120.942 120.500 -0.012 0.000 2.073 344 R HA -0.083 4.258 4.340 0.001 0.000 0.234 344 R C 1.960 178.261 176.300 0.001 0.000 1.134 344 R CA 1.559 57.659 56.100 -0.000 0.000 0.952 344 R CB -0.247 30.039 30.300 -0.025 0.000 0.850 344 R HN 0.288 nan 8.270 nan 0.000 0.433 345 L N -0.124 121.063 121.223 -0.060 0.000 2.478 345 L HA 0.139 4.479 4.340 0.001 0.000 0.223 345 L C 1.091 177.945 176.870 -0.026 0.000 1.140 345 L CA 0.618 55.411 54.840 -0.079 0.000 0.842 345 L CB -0.245 41.688 42.059 -0.210 0.000 0.953 345 L HN 0.617 nan 8.230 nan 0.000 0.452 346 G N 1.010 109.843 108.800 0.054 0.000 2.272 346 G HA2 -0.237 3.723 3.960 0.001 0.000 0.280 346 G HA3 -0.237 3.723 3.960 0.001 0.000 0.280 346 G C 0.123 175.050 174.900 0.044 0.000 1.067 346 G CA 0.019 45.224 45.100 0.176 0.000 0.902 346 G HN 0.099 nan 8.290 nan 0.000 0.500 347 V N 0.845 120.789 119.914 0.050 0.000 2.540 347 V HA 0.175 4.295 4.120 0.001 0.000 0.297 347 V C 1.375 177.502 176.094 0.055 0.000 1.024 347 V CA 0.280 62.608 62.300 0.046 0.000 1.105 347 V CB 0.882 32.809 31.823 0.173 0.000 0.938 347 V HN 0.381 nan 8.190 nan 0.000 0.482 348 I N 5.261 125.797 120.570 -0.058 0.000 2.325 348 I HA 0.278 4.449 4.170 0.001 0.000 0.291 348 I C 0.657 176.745 176.117 -0.048 0.000 1.019 348 I CA 0.028 61.298 61.300 -0.049 0.000 1.302 348 I CB 1.395 39.289 38.000 -0.177 0.000 1.401 348 I HN 0.772 nan 8.210 nan 0.000 0.485 349 T N 4.969 119.511 114.554 -0.020 0.000 2.824 349 T HA 0.749 5.099 4.350 0.001 0.000 0.280 349 T C -0.510 174.087 174.700 -0.171 0.000 0.995 349 T CA -0.662 61.379 62.100 -0.099 0.000 1.009 349 T CB 1.375 70.226 68.868 -0.029 0.000 0.955 349 T HN 0.341 nan 8.240 nan 0.000 0.452 350 I N 3.316 123.755 120.570 -0.219 0.000 2.468 350 I HA 0.439 4.610 4.170 0.001 0.000 0.284 350 I C -0.351 175.604 176.117 -0.270 0.000 1.038 350 I CA -0.820 60.344 61.300 -0.226 0.000 1.083 350 I CB 1.422 39.350 38.000 -0.121 0.000 1.223 350 I HN 0.627 nan 8.210 nan 0.000 0.443 351 N N 2.830 121.283 118.700 -0.412 0.000 2.405 351 N HA 0.514 5.254 4.740 0.001 0.000 0.285 351 N C -0.588 174.878 175.510 -0.072 0.000 1.262 351 N CA -0.513 52.366 53.050 -0.286 0.000 0.773 351 N CB 2.650 40.901 38.487 -0.393 0.000 1.490 351 N HN 0.599 nan 8.380 nan 0.000 0.486 352 T N -1.945 112.669 114.554 0.100 0.000 2.902 352 T HA 0.772 5.123 4.350 0.001 0.000 0.280 352 T C -0.302 174.575 174.700 0.296 0.000 0.992 352 T CA -0.672 61.532 62.100 0.174 0.000 1.015 352 T CB 1.376 70.305 68.868 0.101 0.000 1.044 352 T HN 0.510 nan 8.240 nan 0.000 0.520 353 A N 1.960 124.884 122.820 0.173 0.000 2.374 353 A HA 0.646 4.966 4.320 0.001 0.000 0.305 353 A C 1.015 178.600 177.584 0.002 0.000 1.053 353 A CA -0.970 51.109 52.037 0.071 0.000 0.726 353 A CB 0.972 19.946 19.000 -0.044 0.000 1.229 353 A HN 0.912 nan 8.150 nan 0.000 0.431 354 L N 0.577 121.807 121.223 0.012 0.000 2.056 354 L HA 0.035 4.376 4.340 0.001 0.000 0.207 354 L C 1.148 177.979 176.870 -0.066 0.000 1.078 354 L CA 1.724 56.562 54.840 -0.004 0.000 0.749 354 L CB -0.096 41.981 42.059 0.029 0.000 0.901 354 L HN 0.941 nan 8.230 nan 0.000 0.433 355 E N -1.299 118.843 120.200 -0.097 0.000 2.423 355 E HA 0.679 5.030 4.350 0.001 0.000 0.280 355 E C -1.531 174.931 176.600 -0.229 0.000 1.030 355 E CA -0.888 55.403 56.400 -0.182 0.000 0.812 355 E CB 2.175 31.832 29.700 -0.071 0.000 1.313 355 E HN -0.068 nan 8.360 nan 0.000 0.456 356 A N 1.315 123.937 122.820 -0.330 0.000 2.556 356 A HA 0.665 4.985 4.320 0.001 0.000 0.294 356 A C -1.693 175.824 177.584 -0.111 0.000 1.091 356 A CA -0.512 51.384 52.037 -0.235 0.000 0.704 356 A CB 1.633 20.482 19.000 -0.251 0.000 1.300 356 A HN 0.793 nan 8.150 nan 0.000 0.406 357 D N -0.583 119.788 120.400 -0.048 0.000 2.392 357 D HA 0.421 5.062 4.640 0.001 0.000 0.246 357 D C 1.023 177.284 176.300 -0.065 0.000 1.013 357 D CA -0.417 53.556 54.000 -0.045 0.000 0.993 357 D CB 0.419 41.198 40.800 -0.034 0.000 1.219 357 D HN 0.609 nan 8.370 nan 0.000 0.538 358 I N -3.098 117.312 120.570 -0.267 0.000 3.164 358 I HA -0.020 4.150 4.170 0.001 0.000 0.278 358 I C 0.251 175.981 176.117 -0.645 0.000 1.320 358 I CA 0.803 61.813 61.300 -0.484 0.000 1.422 358 I CB -0.727 36.860 38.000 -0.689 0.000 1.066 358 I HN 0.129 nan 8.210 nan 0.000 0.503 359 F N 1.650 121.590 119.950 -0.017 0.000 2.653 359 F HA 0.468 4.995 4.527 0.001 0.000 0.304 359 F C 1.765 177.553 175.800 -0.019 0.000 1.092 359 F CA 0.301 58.290 58.000 -0.019 0.000 1.279 359 F CB 0.786 39.775 39.000 -0.018 0.000 1.044 359 F HN 0.238 nan 8.300 nan 0.000 0.564 360 G N 0.516 109.363 108.800 0.079 0.000 2.141 360 G HA2 -0.252 3.708 3.960 0.001 0.000 0.242 360 G HA3 -0.252 3.708 3.960 0.001 0.000 0.242 360 G C -0.171 174.741 174.900 0.019 0.000 0.982 360 G CA -0.521 44.611 45.100 0.055 0.000 0.662 360 G HN 0.299 nan 8.290 nan 0.000 0.527 361 N N -0.094 118.613 118.700 0.013 0.000 2.498 361 N HA 0.623 5.363 4.740 0.001 0.000 0.287 361 N C -0.538 174.881 175.510 -0.151 0.000 1.097 361 N CA 0.024 53.049 53.050 -0.042 0.000 0.973 361 N CB 1.579 40.048 38.487 -0.030 0.000 1.153 361 N HN 0.126 nan 8.380 nan 0.000 0.472 362 I N 1.690 122.151 120.570 -0.182 0.000 2.569 362 I HA 0.197 4.367 4.170 0.001 0.000 0.296 362 I C -0.020 176.039 176.117 -0.098 0.000 1.028 362 I CA -0.668 60.486 61.300 -0.243 0.000 1.082 362 I CB 1.537 39.153 38.000 -0.639 0.000 1.264 362 I HN 0.389 nan 8.210 nan 0.000 0.429 363 N N 3.016 121.675 118.700 -0.069 0.000 2.417 363 N HA 0.378 5.118 4.740 0.001 0.000 0.274 363 N C -0.430 175.146 175.510 0.110 0.000 0.987 363 N CA -0.393 52.688 53.050 0.051 0.000 0.912 363 N CB 1.296 39.811 38.487 0.046 0.000 1.177 363 N HN 0.515 nan 8.380 nan 0.000 0.490 364 S N 0.671 116.501 115.700 0.216 0.000 2.846 364 S HA 0.141 4.612 4.470 0.001 0.000 0.249 364 S C 0.714 175.445 174.600 0.219 0.000 1.028 364 S CA 0.126 58.464 58.200 0.230 0.000 1.043 364 S CB -0.221 63.192 63.200 0.356 0.000 0.990 364 S HN 0.672 nan 8.310 nan 0.000 0.564 365 T N -2.360 112.326 114.554 0.220 0.000 3.236 365 T HA 0.283 4.633 4.350 0.001 0.000 0.265 365 T C -0.294 174.395 174.700 -0.019 0.000 0.912 365 T CA 0.079 62.264 62.100 0.140 0.000 0.946 365 T CB -0.133 68.878 68.868 0.238 0.000 1.241 365 T HN 0.343 nan 8.240 nan 0.000 0.513 366 H N 1.324 120.318 119.070 -0.126 0.000 2.504 366 H HA 0.696 5.253 4.556 0.001 0.000 0.322 366 H C -0.589 174.688 175.328 -0.084 0.000 1.055 366 H CA -0.712 55.226 56.048 -0.183 0.000 1.231 366 H CB 1.423 30.952 29.762 -0.388 0.000 1.417 366 H HN 0.096 nan 8.280 nan 0.000 0.472 367 V N 3.166 123.074 119.914 -0.011 0.000 2.508 367 V HA 0.024 4.144 4.120 0.001 0.000 0.281 367 V C 0.759 176.855 176.094 0.003 0.000 1.041 367 V CA 0.169 62.469 62.300 0.001 0.000 1.016 367 V CB 0.944 32.752 31.823 -0.025 0.000 0.984 367 V HN 1.122 nan 8.190 nan 0.000 0.478 368 S N 3.886 119.594 115.700 0.014 0.000 3.358 368 S HA -0.251 4.220 4.470 0.001 0.000 0.309 368 S C 1.483 175.988 174.600 -0.158 0.000 1.247 368 S CA 1.459 59.628 58.200 -0.052 0.000 0.961 368 S CB -1.420 61.773 63.200 -0.012 0.000 1.074 368 S HN 2.150 nan 8.310 nan 0.000 0.625 369 G N -0.725 108.022 108.800 -0.088 0.000 2.184 369 G HA2 -0.396 3.565 3.960 0.001 0.000 0.264 369 G HA3 -0.396 3.565 3.960 0.001 0.000 0.264 369 G C 0.683 175.580 174.900 -0.005 0.000 0.975 369 G CA 1.633 46.690 45.100 -0.072 0.000 0.642 369 G HN 1.538 nan 8.290 nan 0.000 0.536 370 T N -3.807 110.774 114.554 0.044 0.000 3.115 370 T HA 0.413 4.763 4.350 0.001 0.000 0.256 370 T C 1.278 176.019 174.700 0.067 0.000 0.970 370 T CA 0.502 62.653 62.100 0.086 0.000 1.010 370 T CB 0.603 69.475 68.868 0.006 0.000 1.151 370 T HN 0.440 nan 8.240 nan 0.000 0.479 375 G N 0.471 109.165 108.800 -0.176 0.000 2.340 375 G HA2 0.233 4.193 3.960 0.001 0.000 0.300 375 G HA3 0.233 4.193 3.960 0.001 0.000 0.300 375 G C -0.311 174.804 174.900 0.359 0.000 1.488 375 G CA -0.666 44.509 45.100 0.125 0.000 0.878 375 G HN 0.220 nan 8.290 nan 0.000 0.618 376 I N 0.687 121.447 120.570 0.317 0.000 2.423 376 I HA 0.139 4.310 4.170 0.001 0.000 0.254 376 I C 1.891 178.252 176.117 0.407 0.000 1.151 376 I CA 2.518 64.016 61.300 0.329 0.000 1.421 376 I CB -0.296 37.823 38.000 0.197 0.000 1.079 376 I HN 1.737 nan 8.210 nan 0.000 0.431 377 G N 0.152 109.222 108.800 0.450 0.000 2.596 377 G HA2 -0.367 3.594 3.960 0.001 0.000 0.295 377 G HA3 -0.367 3.594 3.960 0.001 0.000 0.295 377 G C 0.683 175.759 174.900 0.294 0.000 1.240 377 G CA 0.027 45.292 45.100 0.276 0.000 0.985 377 G HN 0.592 nan 8.290 nan 0.000 0.555 378 G N -0.335 108.643 108.800 0.296 0.000 3.337 378 G HA2 0.449 4.410 3.960 0.001 0.000 0.246 378 G HA3 0.449 4.410 3.960 0.001 0.000 0.246 378 G C 1.736 176.943 174.900 0.512 0.000 1.131 378 G CA 1.358 46.694 45.100 0.392 0.000 0.773 378 G HN 1.779 nan 8.290 nan 0.000 0.544 379 S N -0.006 115.973 115.700 0.466 0.000 2.399 379 S HA -0.022 4.449 4.470 0.001 0.000 0.231 379 S C 2.338 177.276 174.600 0.563 0.000 1.022 379 S CA 1.455 59.937 58.200 0.470 0.000 0.983 379 S CB -0.382 63.115 63.200 0.496 0.000 0.803 379 S HN 0.296 nan 8.310 nan 0.000 0.480 380 G N 1.787 110.955 108.800 0.613 0.000 2.395 380 G HA2 -0.103 3.857 3.960 0.001 0.000 0.214 380 G HA3 -0.103 3.857 3.960 0.001 0.000 0.214 380 G C 1.182 176.177 174.900 0.157 0.000 1.177 380 G CA 0.783 46.163 45.100 0.466 0.000 0.794 380 G HN 0.472 nan 8.290 nan 0.000 0.532 381 D N 0.535 120.973 120.400 0.062 0.000 2.133 381 D HA -0.114 4.526 4.640 0.001 0.000 0.195 381 D C 2.140 178.335 176.300 -0.176 0.000 0.997 381 D CA 0.942 54.848 54.000 -0.156 0.000 0.840 381 D CB -0.212 40.422 40.800 -0.276 0.000 0.947 381 D HN 0.327 nan 8.370 nan 0.000 0.452 382 F N 1.239 121.242 119.950 0.088 0.000 2.059 382 F HA -0.088 4.440 4.527 0.001 0.000 0.289 382 F C 2.818 178.651 175.800 0.055 0.000 1.128 382 F CA 0.916 58.954 58.000 0.064 0.000 1.181 382 F CB -1.151 37.875 39.000 0.043 0.000 1.012 382 F HN -0.159 nan 8.300 nan 0.000 0.473 383 T N 0.257 114.970 114.554 0.266 0.000 2.620 383 T HA -0.350 4.000 4.350 0.001 0.000 0.267 383 T C 2.018 176.833 174.700 0.192 0.000 1.044 383 T CA 2.241 64.448 62.100 0.179 0.000 1.161 383 T CB -0.446 68.573 68.868 0.251 0.000 0.862 383 T HN -0.005 nan 8.240 nan 0.000 0.438 384 R N 1.808 122.424 120.500 0.194 0.000 2.117 384 R HA -0.048 4.292 4.340 0.001 0.000 0.243 384 R C 1.417 177.771 176.300 0.089 0.000 1.143 384 R CA 2.001 58.183 56.100 0.137 0.000 0.968 384 R CB -0.592 29.758 30.300 0.083 0.000 0.863 384 R HN 0.538 nan 8.270 nan 0.000 0.444 385 N N -0.562 118.181 118.700 0.071 0.000 2.205 385 N HA 0.059 4.799 4.740 0.001 0.000 0.201 385 N C -0.607 174.951 175.510 0.081 0.000 1.128 385 N CA 0.306 53.386 53.050 0.051 0.000 0.867 385 N CB 0.693 39.184 38.487 0.006 0.000 0.996 385 N HN 0.223 nan 8.380 nan 0.000 0.503 386 S N -0.630 115.143 115.700 0.122 0.000 2.584 386 S HA -0.015 4.456 4.470 0.001 0.000 0.270 386 S C 0.964 175.654 174.600 0.149 0.000 1.346 386 S CA -0.591 57.699 58.200 0.149 0.000 1.018 386 S CB 0.651 63.940 63.200 0.148 0.000 0.899 386 S HN 0.260 nan 8.310 nan 0.000 0.542 387 Y N 2.344 122.664 120.300 0.033 0.000 2.128 387 Y HA 0.061 4.611 4.550 0.001 0.000 0.284 387 Y C 0.483 176.411 175.900 0.045 0.000 1.154 387 Y CA 1.616 59.731 58.100 0.025 0.000 1.149 387 Y CB 0.131 38.589 38.460 -0.004 0.000 0.976 387 Y HN 0.516 nan 8.280 nan 0.000 0.505 388 V N 0.473 120.542 119.914 0.259 0.000 2.711 388 V HA 0.250 4.370 4.120 0.001 0.000 0.304 388 V C -0.817 175.365 176.094 0.147 0.000 1.097 388 V CA -0.717 61.703 62.300 0.200 0.000 0.906 388 V CB 1.514 33.499 31.823 0.270 0.000 1.015 388 V HN 0.160 nan 8.190 nan 0.000 0.427 389 S N 5.281 121.053 115.700 0.119 0.000 2.480 389 S HA 0.859 5.329 4.470 0.001 0.000 0.286 389 S C -0.696 173.917 174.600 0.021 0.000 1.180 389 S CA -0.553 57.674 58.200 0.044 0.000 1.075 389 S CB 1.136 64.385 63.200 0.081 0.000 0.996 389 S HN 0.556 nan 8.310 nan 0.000 0.487 390 I N 2.491 122.987 120.570 -0.124 0.000 2.569 390 I HA 0.522 4.693 4.170 0.001 0.000 0.296 390 I C -1.229 174.693 176.117 -0.326 0.000 1.028 390 I CA -0.783 60.457 61.300 -0.101 0.000 1.082 390 I CB 1.751 39.732 38.000 -0.032 0.000 1.264 390 I HN 0.569 nan 8.210 nan 0.000 0.429 391 F N 2.713 122.658 119.950 -0.009 0.000 2.518 391 F HA 0.478 5.006 4.527 0.001 0.000 0.323 391 F C 0.393 176.194 175.800 0.001 0.000 1.129 391 F CA -0.520 57.471 58.000 -0.015 0.000 0.920 391 F CB 2.330 41.317 39.000 -0.022 0.000 1.160 391 F HN 0.380 nan 8.300 nan 0.000 0.440 392 T N -0.735 113.913 114.554 0.157 0.000 2.940 392 T HA 0.826 5.176 4.350 0.001 0.000 0.288 392 T C -0.491 174.268 174.700 0.099 0.000 1.033 392 T CA -0.789 61.374 62.100 0.105 0.000 1.033 392 T CB 1.998 70.894 68.868 0.046 0.000 1.079 392 T HN 0.729 nan 8.240 nan 0.000 0.496 393 T N 2.030 116.631 114.554 0.078 0.000 3.610 393 T HA 0.383 4.734 4.350 0.001 0.000 0.419 393 T C -3.267 171.469 174.700 0.059 0.000 1.582 393 T CA -0.956 61.164 62.100 0.034 0.000 1.146 393 T CB 1.437 70.272 68.868 -0.056 0.000 1.460 393 T HN 0.614 nan 8.240 nan 0.000 0.465 394 P HA 0.152 nan 4.420 nan 0.000 0.269 394 P C 1.075 178.454 177.300 0.132 0.000 1.209 394 P CA -0.029 63.105 63.100 0.056 0.000 0.776 394 P CB 0.857 32.573 31.700 0.026 0.000 0.876 395 S N 1.968 117.823 115.700 0.258 0.000 2.399 395 S HA -0.033 4.437 4.470 0.001 0.000 0.231 395 S C 1.078 175.876 174.600 0.330 0.000 1.022 395 S CA 1.281 59.771 58.200 0.483 0.000 0.983 395 S CB -0.970 62.661 63.200 0.718 0.000 0.803 395 S HN 0.516 nan 8.310 nan 0.000 0.480 399 D N 0.809 121.224 120.400 0.024 0.000 2.792 399 D HA -0.228 4.413 4.640 0.001 0.000 0.231 399 D C 0.895 177.209 176.300 0.023 0.000 1.160 399 D CA 2.166 56.183 54.000 0.028 0.000 0.697 399 D CB -0.790 40.022 40.800 0.020 0.000 1.070 399 D HN 0.858 nan 8.370 nan 0.000 0.426 400 G N -0.374 108.441 108.800 0.026 0.000 2.195 400 G HA2 -0.409 3.551 3.960 0.001 0.000 0.246 400 G HA3 -0.409 3.551 3.960 0.001 0.000 0.246 400 G C 1.060 176.001 174.900 0.068 0.000 0.984 400 G CA 0.697 45.804 45.100 0.012 0.000 0.633 400 G HN 0.478 nan 8.290 nan 0.000 0.525 401 K N -0.322 120.103 120.400 0.041 0.000 2.365 401 K HA 0.270 4.590 4.320 0.001 0.000 0.199 401 K C 0.884 177.516 176.600 0.053 0.000 1.045 401 K CA 0.678 56.991 56.287 0.043 0.000 0.962 401 K CB 0.258 32.762 32.500 0.007 0.000 0.759 401 K HN 0.493 nan 8.250 nan 0.000 0.469 402 I N 0.337 120.919 120.570 0.020 0.000 2.465 402 I HA 0.073 4.244 4.170 0.001 0.000 0.291 402 I C -0.429 175.586 176.117 -0.171 0.000 1.014 402 I CA -0.727 60.533 61.300 -0.067 0.000 1.093 402 I CB 2.074 40.045 38.000 -0.048 0.000 1.267 402 I HN -0.146 nan 8.210 nan 0.000 0.431 403 S N 3.041 118.492 115.700 -0.415 0.000 2.480 403 S HA 0.262 4.733 4.470 0.001 0.000 0.286 403 S C 0.882 175.342 174.600 -0.233 0.000 1.180 403 S CA -0.484 57.384 58.200 -0.553 0.000 1.075 403 S CB 1.372 63.859 63.200 -1.189 0.000 0.996 403 S HN 0.627 nan 8.310 nan 0.000 0.487 404 S N 3.585 119.196 115.700 -0.149 0.000 2.522 404 S HA 0.184 4.654 4.470 0.001 0.000 0.227 404 S C -0.270 174.026 174.600 -0.507 0.000 0.986 404 S CA 0.522 58.548 58.200 -0.289 0.000 0.929 404 S CB -0.250 62.747 63.200 -0.338 0.000 0.769 404 S HN 0.682 nan 8.310 nan 0.000 0.529 405 F N 1.479 121.374 119.950 -0.092 0.000 2.444 405 F HA 0.561 5.089 4.527 0.001 0.000 0.342 405 F C 0.102 175.791 175.800 -0.185 0.000 1.121 405 F CA -1.048 56.888 58.000 -0.107 0.000 0.997 405 F CB 1.420 40.380 39.000 -0.066 0.000 1.130 405 F HN -0.164 nan 8.300 nan 0.000 0.454 406 V N 1.155 120.998 119.914 -0.119 0.000 3.141 406 V HA 0.742 4.862 4.120 0.001 0.000 0.312 406 V C -2.877 172.955 176.094 -0.436 0.000 1.157 406 V CA -3.060 59.011 62.300 -0.381 0.000 1.041 406 V CB 1.889 33.574 31.823 -0.230 0.000 1.071 406 V HN 0.383 nan 8.190 nan 0.000 0.441 410 A N 1.885 124.711 122.820 0.011 0.000 2.172 410 A HA 0.189 4.510 4.320 0.001 0.000 0.216 410 A C 0.719 178.293 177.584 -0.016 0.000 1.154 410 A CA 2.053 53.928 52.037 -0.271 0.000 0.701 410 A CB -0.628 17.965 19.000 -0.678 0.000 0.789 410 A HN 1.950 nan 8.150 nan 0.000 0.465 411 H N -0.956 118.085 119.070 -0.048 0.000 3.128 411 H HA 0.335 4.891 4.556 0.001 0.000 0.336 411 H C -1.194 174.131 175.328 -0.006 0.000 1.026 411 H CA -0.662 55.370 56.048 -0.026 0.000 1.376 411 H CB 0.436 30.131 29.762 -0.112 0.000 1.882 411 H HN 0.351 nan 8.280 nan 0.000 0.479 412 H N 4.783 123.580 119.070 -0.456 0.000 2.652 412 H HA 0.130 4.687 4.556 0.001 0.000 0.298 412 H C -0.157 174.954 175.328 -0.362 0.000 1.076 412 H CA -0.247 55.630 56.048 -0.285 0.000 1.360 412 H CB 1.335 30.992 29.762 -0.175 0.000 1.421 412 H HN 0.735 nan 8.280 nan 0.000 0.464 413 D N 1.705 122.022 120.400 -0.138 0.000 2.431 413 D HA 0.021 4.662 4.640 0.001 0.000 0.227 413 D C -0.085 175.888 176.300 -0.545 0.000 1.030 413 D CA 0.774 54.615 54.000 -0.265 0.000 0.897 413 D CB 0.844 41.550 40.800 -0.155 0.000 1.058 413 D HN 0.610 nan 8.370 nan 0.000 0.500 414 H N -0.675 118.417 119.070 0.037 0.000 2.679 414 H HA 0.413 4.969 4.556 0.001 0.000 0.360 414 H C -0.201 175.151 175.328 0.040 0.000 1.105 414 H CA -0.765 55.317 56.048 0.057 0.000 1.196 414 H CB 1.805 31.568 29.762 0.001 0.000 1.636 414 H HN -0.193 nan 8.280 nan 0.000 0.531 415 S N 1.073 116.883 115.700 0.185 0.000 2.713 415 S HA 0.096 4.566 4.470 0.001 0.000 0.283 415 S C 1.265 175.907 174.600 0.070 0.000 1.161 415 S CA -0.494 57.790 58.200 0.140 0.000 0.999 415 S CB 1.270 64.577 63.200 0.178 0.000 1.039 415 S HN 0.913 nan 8.310 nan 0.000 0.548 416 E N 0.149 120.315 120.200 -0.057 0.000 2.219 416 E HA -0.267 4.083 4.350 0.001 0.000 0.198 416 E C 1.018 177.518 176.600 -0.167 0.000 0.998 416 E CA 1.654 57.972 56.400 -0.137 0.000 0.818 416 E CB -0.683 28.873 29.700 -0.239 0.000 0.741 416 E HN 0.795 nan 8.360 nan 0.000 0.477 417 H N -0.158 118.970 119.070 0.098 0.000 2.548 417 H HA 0.203 4.760 4.556 0.001 0.000 0.268 417 H C 1.205 176.595 175.328 0.103 0.000 0.975 417 H CA 1.021 57.120 56.048 0.085 0.000 1.195 417 H CB 0.620 30.421 29.762 0.065 0.000 1.397 417 H HN 0.198 nan 8.280 nan 0.000 0.572 418 S N -0.013 115.813 115.700 0.210 0.000 2.539 418 S HA 0.098 4.568 4.470 0.001 0.000 0.226 418 S C 0.824 175.563 174.600 0.232 0.000 1.054 418 S CA -0.231 58.101 58.200 0.220 0.000 0.910 418 S CB 0.990 64.347 63.200 0.261 0.000 0.818 418 S HN -0.054 nan 8.310 nan 0.000 0.490 419 V N 4.171 124.214 119.914 0.215 0.000 2.427 419 V HA 0.244 4.364 4.120 0.001 0.000 0.268 419 V C 0.785 176.991 176.094 0.186 0.000 1.046 419 V CA -0.010 62.441 62.300 0.251 0.000 0.970 419 V CB 0.911 32.829 31.823 0.159 0.000 1.001 419 V HN 0.202 nan 8.190 nan 0.000 0.476 420 K N 3.509 124.024 120.400 0.192 0.000 2.244 420 K HA 0.288 4.608 4.320 0.001 0.000 0.200 420 K C 0.098 176.771 176.600 0.121 0.000 1.052 420 K CA 0.681 57.056 56.287 0.145 0.000 0.980 420 K CB 0.696 33.283 32.500 0.145 0.000 0.838 420 K HN 0.485 nan 8.250 nan 0.000 0.481 421 V N 1.834 121.820 119.914 0.119 0.000 2.888 421 V HA 0.451 4.571 4.120 0.001 0.000 0.309 421 V C -0.704 175.429 176.094 0.064 0.000 1.114 421 V CA -0.870 61.443 62.300 0.021 0.000 0.940 421 V CB 2.702 34.459 31.823 -0.111 0.000 1.021 421 V HN -0.025 nan 8.190 nan 0.000 0.426 422 I N 4.509 125.097 120.570 0.030 0.000 2.545 422 I HA 0.613 4.783 4.170 0.001 0.000 0.292 422 I C -1.084 175.061 176.117 0.047 0.000 1.040 422 I CA -0.562 60.807 61.300 0.115 0.000 1.068 422 I CB 2.238 40.353 38.000 0.192 0.000 1.251 422 I HN 0.423 nan 8.210 nan 0.000 0.424 423 I N 4.631 125.255 120.570 0.089 0.000 2.534 423 I HA 0.338 4.509 4.170 0.001 0.000 0.288 423 I C -0.100 176.092 176.117 0.124 0.000 1.077 423 I CA -0.153 61.180 61.300 0.055 0.000 1.051 423 I CB 2.234 40.222 38.000 -0.020 0.000 1.234 423 I HN 0.683 nan 8.210 nan 0.000 0.425 424 S N 3.825 119.608 115.700 0.140 0.000 2.837 424 S HA 0.375 4.845 4.470 0.001 0.000 0.314 424 S C 0.828 175.443 174.600 0.024 0.000 1.098 424 S CA -0.573 57.714 58.200 0.146 0.000 0.903 424 S CB 1.360 64.746 63.200 0.310 0.000 1.310 424 S HN 0.683 nan 8.310 nan 0.000 0.581 425 E N 0.107 120.241 120.200 -0.112 0.000 2.268 425 E HA -0.131 4.220 4.350 0.001 0.000 0.195 425 E C 1.074 177.499 176.600 -0.291 0.000 0.995 425 E CA 0.762 56.996 56.400 -0.277 0.000 0.836 425 E CB -0.457 28.955 29.700 -0.480 0.000 0.763 425 E HN 0.839 nan 8.360 nan 0.000 0.491 426 W N 1.715 123.024 121.300 0.015 0.000 2.658 426 W HA 0.250 4.910 4.660 0.001 0.000 0.263 426 W C 1.153 177.659 176.519 -0.023 0.000 1.274 426 W CA 0.417 57.751 57.345 -0.019 0.000 1.343 426 W CB 0.512 29.946 29.460 -0.044 0.000 1.106 426 W HN 0.307 nan 8.180 nan 0.000 0.615 427 G N -0.627 108.278 108.800 0.176 0.000 2.356 427 G HA2 0.270 4.231 3.960 0.001 0.000 0.288 427 G HA3 0.270 4.231 3.960 0.001 0.000 0.288 427 G C -1.655 173.268 174.900 0.039 0.000 1.302 427 G CA -0.551 44.607 45.100 0.096 0.000 0.887 427 G HN 0.276 nan 8.290 nan 0.000 0.521 428 V N -2.375 117.535 119.914 -0.008 0.000 2.628 428 V HA 0.952 5.073 4.120 0.001 0.000 0.306 428 V C 0.178 176.218 176.094 -0.091 0.000 1.045 428 V CA -0.122 62.121 62.300 -0.096 0.000 0.905 428 V CB 1.454 33.132 31.823 -0.240 0.000 0.997 428 V HN 2.461 nan 8.190 nan 0.000 0.436 429 A N 3.191 125.950 122.820 -0.102 0.000 2.328 429 A HA 0.553 4.873 4.320 0.001 0.000 0.318 429 A C -0.376 177.168 177.584 -0.067 0.000 1.347 429 A CA -0.399 51.601 52.037 -0.062 0.000 0.842 429 A CB 0.399 19.373 19.000 -0.043 0.000 1.148 429 A HN 0.926 nan 8.150 nan 0.000 0.499 430 D N 2.896 123.271 120.400 -0.041 0.000 2.336 430 D HA 0.234 4.875 4.640 0.001 0.000 0.249 430 D C 0.445 176.773 176.300 0.047 0.000 1.213 430 D CA -0.265 53.742 54.000 0.012 0.000 0.870 430 D CB 0.925 41.787 40.800 0.103 0.000 1.076 430 D HN 0.277 nan 8.370 nan 0.000 0.483 431 L N 3.497 124.753 121.223 0.056 0.000 2.509 431 L HA 0.137 4.477 4.340 0.001 0.000 0.222 431 L C 1.211 178.125 176.870 0.075 0.000 1.123 431 L CA 0.418 55.296 54.840 0.064 0.000 0.856 431 L CB -0.526 41.574 42.059 0.068 0.000 0.985 431 L HN 0.225 nan 8.230 nan 0.000 0.456 432 R N -0.042 120.510 120.500 0.087 0.000 2.522 432 R HA 0.315 4.655 4.340 0.001 0.000 0.284 432 R C 1.266 177.609 176.300 0.072 0.000 1.032 432 R CA 0.787 56.937 56.100 0.084 0.000 1.049 432 R CB -0.131 30.226 30.300 0.094 0.000 0.956 432 R HN 0.313 nan 8.270 nan 0.000 0.422 433 G N 1.957 110.796 108.800 0.065 0.000 2.148 433 G HA2 -0.331 3.630 3.960 0.001 0.000 0.254 433 G HA3 -0.331 3.630 3.960 0.001 0.000 0.254 433 G C -0.186 174.748 174.900 0.056 0.000 0.981 433 G CA 0.247 45.382 45.100 0.057 0.000 0.670 433 G HN 0.504 nan 8.290 nan 0.000 0.528 434 K N 0.330 120.767 120.400 0.062 0.000 2.259 434 K HA 0.431 4.751 4.320 0.001 0.000 0.249 434 K C 0.618 177.259 176.600 0.069 0.000 0.942 434 K CA -0.426 55.900 56.287 0.064 0.000 0.816 434 K CB 1.362 33.902 32.500 0.066 0.000 1.155 434 K HN 0.493 nan 8.250 nan 0.000 0.428 435 N N 0.969 119.712 118.700 0.072 0.000 2.418 435 N HA 0.204 4.944 4.740 0.001 0.000 0.283 435 N C -2.100 173.477 175.510 0.111 0.000 1.267 435 N CA -1.449 51.645 53.050 0.074 0.000 0.975 435 N CB 0.660 39.184 38.487 0.062 0.000 1.167 435 N HN 0.012 nan 8.380 nan 0.000 0.581 436 P HA -0.155 nan 4.420 nan 0.000 0.214 436 P C 1.110 178.622 177.300 0.354 0.000 1.163 436 P CA 1.642 64.910 63.100 0.281 0.000 0.889 436 P CB 0.069 31.823 31.700 0.089 0.000 0.790 437 R N -0.293 120.355 120.500 0.246 0.000 2.081 437 R HA -0.137 4.203 4.340 0.001 0.000 0.235 437 R C 2.266 178.685 176.300 0.198 0.000 1.131 437 R CA 1.464 57.691 56.100 0.213 0.000 0.960 437 R CB -0.544 29.866 30.300 0.183 0.000 0.856 437 R HN 0.360 nan 8.270 nan 0.000 0.436 438 E N 0.194 120.491 120.200 0.162 0.000 2.106 438 E HA -0.196 4.154 4.350 0.001 0.000 0.192 438 E C 1.992 178.655 176.600 0.105 0.000 0.984 438 E CA 1.183 57.667 56.400 0.139 0.000 0.806 438 E CB -0.034 29.722 29.700 0.092 0.000 0.750 438 E HN 0.384 nan 8.360 nan 0.000 0.458 439 R N 0.675 121.225 120.500 0.083 0.000 2.193 439 R HA 0.163 4.503 4.340 0.001 0.000 0.213 439 R C 2.104 178.380 176.300 -0.039 0.000 1.055 439 R CA 0.934 57.058 56.100 0.041 0.000 0.995 439 R CB -0.089 30.247 30.300 0.061 0.000 0.893 439 R HN 0.053 nan 8.270 nan 0.000 0.459 440 A N 1.254 124.011 122.820 -0.105 0.000 1.897 440 A HA -0.106 4.215 4.320 0.001 0.000 0.215 440 A C 1.616 179.047 177.584 -0.254 0.000 1.181 440 A CA 1.365 53.212 52.037 -0.316 0.000 0.620 440 A CB -0.729 17.959 19.000 -0.521 0.000 0.821 440 A HN 0.511 nan 8.150 nan 0.000 0.443 441 H N -1.243 117.778 119.070 -0.082 0.000 2.389 441 H HA -0.065 4.492 4.556 0.001 0.000 0.299 441 H C 2.141 177.427 175.328 -0.070 0.000 1.081 441 H CA 1.565 57.574 56.048 -0.065 0.000 1.345 441 H CB 0.147 29.889 29.762 -0.034 0.000 1.393 441 H HN 0.585 nan 8.280 nan 0.000 0.520 442 E N 0.974 121.206 120.200 0.053 0.000 2.047 442 E HA -0.112 4.238 4.350 0.001 0.000 0.191 442 E C 1.962 178.528 176.600 -0.057 0.000 0.987 442 E CA 1.100 57.504 56.400 0.007 0.000 0.799 442 E CB -0.270 29.439 29.700 0.015 0.000 0.752 442 E HN 0.471 nan 8.360 nan 0.000 0.449 443 I N 0.277 120.787 120.570 -0.100 0.000 2.286 443 I HA -0.242 3.928 4.170 0.001 0.000 0.248 443 I C 2.241 178.190 176.117 -0.280 0.000 1.115 443 I CA 0.916 62.103 61.300 -0.188 0.000 1.392 443 I CB -0.239 37.650 38.000 -0.184 0.000 1.065 443 I HN 0.184 nan 8.210 nan 0.000 0.418 444 I N 0.614 121.056 120.570 -0.212 0.000 2.202 444 I HA -0.284 3.887 4.170 0.001 0.000 0.242 444 I C 1.983 178.010 176.117 -0.149 0.000 1.091 444 I CA 1.424 62.611 61.300 -0.189 0.000 1.368 444 I CB -0.437 37.483 38.000 -0.132 0.000 1.058 444 I HN 0.205 nan 8.210 nan 0.000 0.410 445 D N 0.644 120.990 120.400 -0.090 0.000 2.183 445 D HA -0.110 4.531 4.640 0.001 0.000 0.203 445 D C 2.085 178.333 176.300 -0.086 0.000 0.969 445 D CA 1.018 54.974 54.000 -0.073 0.000 0.842 445 D CB -0.022 40.763 40.800 -0.025 0.000 0.957 445 D HN 0.236 nan 8.370 nan 0.000 0.484 446 K N -0.620 119.730 120.400 -0.084 0.000 2.313 446 K HA 0.178 4.499 4.320 0.001 0.000 0.197 446 K C 1.914 178.503 176.600 -0.018 0.000 1.061 446 K CA 0.245 56.508 56.287 -0.040 0.000 0.980 446 K CB -0.018 32.466 32.500 -0.027 0.000 0.888 446 K HN 0.187 nan 8.250 nan 0.000 0.502 447 C N 0.706 119.917 119.300 -0.148 0.000 2.563 447 C HA 0.254 4.714 4.460 0.001 0.000 0.346 447 C C 1.139 175.964 174.990 -0.275 0.000 1.334 447 C CA -0.520 58.388 59.018 -0.183 0.000 1.938 447 C CB 0.350 27.872 27.740 -0.363 0.000 2.445 447 C HN -0.047 nan 8.230 nan 0.000 0.541 448 V N 3.046 122.630 119.914 -0.550 0.000 2.763 448 V HA 0.013 4.134 4.120 0.001 0.000 0.306 448 V C 0.588 176.667 176.094 -0.025 0.000 1.059 448 V CA 0.417 62.530 62.300 -0.313 0.000 1.138 448 V CB -0.101 31.575 31.823 -0.246 0.000 0.940 448 V HN 0.533 nan 8.190 nan 0.000 0.489 449 H N 6.844 126.010 119.070 0.161 0.000 2.764 449 H HA 0.135 4.691 4.556 0.001 0.000 0.341 449 H C -1.779 173.495 175.328 -0.090 0.000 1.072 449 H CA -1.855 54.259 56.048 0.111 0.000 1.444 449 H CB 1.674 31.736 29.762 0.501 0.000 1.458 449 H HN 0.357 nan 8.280 nan 0.000 0.572 450 P HA -0.208 nan 4.420 nan 0.000 0.220 450 P C 0.915 178.240 177.300 0.042 0.000 1.155 450 P CA 1.702 64.659 63.100 -0.238 0.000 0.880 450 P CB 0.313 31.749 31.700 -0.440 0.000 0.790 451 D N -2.896 117.680 120.400 0.294 0.000 2.311 451 D HA -0.141 4.499 4.640 0.001 0.000 0.212 451 D C 1.042 177.127 176.300 -0.358 0.000 0.972 451 D CA 1.206 55.145 54.000 -0.102 0.000 0.887 451 D CB -0.344 40.254 40.800 -0.337 0.000 0.915 451 D HN 0.394 nan 8.370 nan 0.000 0.497 452 Y N -0.838 119.531 120.300 0.116 0.000 2.471 452 Y HA 0.247 4.797 4.550 0.001 0.000 0.249 452 Y C 1.937 177.919 175.900 0.137 0.000 1.116 452 Y CA -0.474 57.711 58.100 0.140 0.000 1.240 452 Y CB 0.478 39.072 38.460 0.223 0.000 1.251 452 Y HN -0.179 nan 8.280 nan 0.000 0.527 453 R N 0.856 121.454 120.500 0.163 0.000 2.073 453 R HA -0.090 4.251 4.340 0.001 0.000 0.234 453 R C -0.798 175.562 176.300 0.100 0.000 1.134 453 R CA 1.521 57.669 56.100 0.081 0.000 0.952 453 R CB -1.923 28.364 30.300 -0.021 0.000 0.850 453 R HN 0.285 nan 8.270 nan 0.000 0.433 454 P HA -0.132 nan 4.420 nan 0.000 0.218 454 P C 1.523 178.941 177.300 0.198 0.000 1.149 454 P CA 0.920 64.084 63.100 0.107 0.000 0.817 454 P CB -0.013 31.724 31.700 0.062 0.000 0.785 455 L N -0.516 120.863 121.223 0.259 0.000 2.093 455 L HA -0.033 4.308 4.340 0.001 0.000 0.208 455 L C 2.530 179.772 176.870 0.619 0.000 1.085 455 L CA 1.547 56.661 54.840 0.457 0.000 0.755 455 L CB -1.467 40.831 42.059 0.398 0.000 0.904 455 L HN -0.151 nan 8.230 nan 0.000 0.435 456 L N -1.459 120.007 121.223 0.405 0.000 2.313 456 L HA -0.088 4.252 4.340 0.001 0.000 0.214 456 L C 2.548 179.487 176.870 0.116 0.000 1.119 456 L CA 0.509 55.482 54.840 0.222 0.000 0.809 456 L CB -0.348 41.749 42.059 0.063 0.000 0.933 456 L HN 0.198 nan 8.230 nan 0.000 0.449 457 R N -0.336 120.238 120.500 0.123 0.000 2.093 457 R HA -0.102 4.239 4.340 0.001 0.000 0.224 457 R C 2.163 178.512 176.300 0.083 0.000 1.101 457 R CA 0.923 57.062 56.100 0.066 0.000 0.979 457 R CB -0.125 30.233 30.300 0.098 0.000 0.877 457 R HN 0.456 nan 8.270 nan 0.000 0.441 458 Q N -0.597 119.303 119.800 0.167 0.000 2.224 458 Q HA -0.177 4.163 4.340 0.001 0.000 0.203 458 Q C 1.540 177.480 176.000 -0.101 0.000 0.970 458 Q CA 1.144 57.030 55.803 0.137 0.000 0.865 458 Q CB -0.055 28.901 28.738 0.364 0.000 0.922 458 Q HN 0.356 nan 8.270 nan 0.000 0.445 459 Y N 0.817 120.930 120.300 -0.312 0.000 2.293 459 Y HA -0.129 4.421 4.550 0.001 0.000 0.291 459 Y C 1.504 177.179 175.900 -0.376 0.000 1.137 459 Y CA 1.045 58.733 58.100 -0.686 0.000 1.202 459 Y CB 0.085 38.163 38.460 -0.638 0.000 0.990 459 Y HN 0.023 nan 8.280 nan 0.000 0.537 460 L N 0.138 121.235 121.223 -0.210 0.000 2.552 460 L HA -0.022 4.319 4.340 0.001 0.000 0.227 460 L C 0.698 177.472 176.870 -0.161 0.000 1.146 460 L CA 0.625 55.355 54.840 -0.183 0.000 0.858 460 L CB -0.111 41.877 42.059 -0.119 0.000 0.969 460 L HN 0.104 nan 8.230 nan 0.000 0.451 461 E N 0.218 120.316 120.200 -0.169 0.000 2.815 461 E HA 0.212 4.562 4.350 0.001 0.000 0.211 461 E C 0.853 177.365 176.600 -0.147 0.000 1.004 461 E CA 0.046 56.381 56.400 -0.109 0.000 1.173 461 E CB 0.623 30.303 29.700 -0.034 0.000 1.163 461 E HN 0.402 nan 8.360 nan 0.000 0.449 462 L N -0.188 120.881 121.223 -0.256 0.000 2.685 462 L HA 0.217 4.558 4.340 0.001 0.000 0.233 462 L C 1.194 177.965 176.870 -0.164 0.000 1.173 462 L CA 0.290 54.989 54.840 -0.236 0.000 0.961 462 L CB -0.068 41.754 42.059 -0.395 0.000 1.217 462 L HN 0.346 nan 8.230 nan 0.000 0.478 463 G N -0.054 108.667 108.800 -0.132 0.000 2.179 463 G HA2 -0.264 3.697 3.960 0.001 0.000 0.260 463 G HA3 -0.264 3.697 3.960 0.001 0.000 0.260 463 G C 0.346 175.186 174.900 -0.100 0.000 0.977 463 G CA 0.088 45.133 45.100 -0.092 0.000 0.641 463 G HN 0.131 nan 8.290 nan 0.000 0.533 464 V N 1.200 121.028 119.914 -0.143 0.000 2.585 464 V HA 0.313 4.434 4.120 0.001 0.000 0.296 464 V C 0.872 176.906 176.094 -0.099 0.000 1.035 464 V CA 0.446 62.667 62.300 -0.132 0.000 1.084 464 V CB 1.242 32.954 31.823 -0.186 0.000 0.953 464 V HN 0.349 nan 8.190 nan 0.000 0.483 465 K N 3.057 123.410 120.400 -0.079 0.000 2.138 465 K HA 0.754 5.075 4.320 0.001 0.000 0.263 465 K C 0.296 176.856 176.600 -0.066 0.000 0.965 465 K CA 0.114 56.364 56.287 -0.062 0.000 0.868 465 K CB 1.811 34.283 32.500 -0.047 0.000 1.083 465 K HN 1.061 nan 8.250 nan 0.000 0.443 466 G N 0.943 109.708 108.800 -0.058 0.000 2.355 466 G HA2 -0.178 3.782 3.960 0.001 0.000 0.619 466 G HA3 -0.178 3.782 3.960 0.001 0.000 0.619 466 G C 0.114 174.974 174.900 -0.066 0.000 1.337 466 G CA -0.356 44.707 45.100 -0.062 0.000 0.993 466 G HN 0.543 nan 8.290 nan 0.000 0.599 467 Q N -0.604 119.156 119.800 -0.067 0.000 2.077 467 Q HA 0.038 4.378 4.340 0.001 0.000 0.206 467 Q C 1.286 177.214 176.000 -0.120 0.000 0.989 467 Q CA 2.842 58.605 55.803 -0.067 0.000 0.853 467 Q CB -0.176 28.527 28.738 -0.057 0.000 0.907 467 Q HN 0.759 nan 8.270 nan 0.000 0.418 468 T N 2.254 116.690 114.554 -0.196 0.000 2.809 468 T HA 0.374 4.724 4.350 0.001 0.000 0.296 468 T C -2.564 171.936 174.700 -0.333 0.000 1.015 468 T CA -1.459 60.406 62.100 -0.392 0.000 0.954 468 T CB 1.644 70.213 68.868 -0.498 0.000 0.950 468 T HN 0.106 nan 8.240 nan 0.000 0.450 469 P HA 0.107 nan 4.420 nan 0.000 0.261 469 P C 0.022 177.244 177.300 -0.130 0.000 1.650 469 P CA -0.127 62.892 63.100 -0.136 0.000 0.846 469 P CB 0.018 31.711 31.700 -0.011 0.000 1.758 470 Q N 1.362 121.068 119.800 -0.157 0.000 2.286 470 Q HA 0.144 4.484 4.340 0.001 0.000 0.257 470 Q C 0.075 176.030 176.000 -0.076 0.000 0.941 470 Q CA 0.163 55.957 55.803 -0.016 0.000 0.912 470 Q CB 0.775 29.472 28.738 -0.069 0.000 1.192 470 Q HN 0.106 nan 8.270 nan 0.000 0.410 471 N N 3.856 122.535 118.700 -0.035 0.000 2.589 471 N HA 0.051 4.791 4.740 0.001 0.000 0.232 471 N C 0.453 175.969 175.510 0.010 0.000 1.015 471 N CA -0.189 52.812 53.050 -0.082 0.000 0.931 471 N CB 0.577 38.940 38.487 -0.206 0.000 1.150 471 N HN 0.374 nan 8.380 nan 0.000 0.512 472 L N 2.275 123.487 121.223 -0.019 0.000 2.351 472 L HA -0.126 4.215 4.340 0.001 0.000 0.220 472 L C 1.476 178.371 176.870 0.042 0.000 1.127 472 L CA 1.271 56.103 54.840 -0.013 0.000 0.786 472 L CB -0.234 41.818 42.059 -0.013 0.000 0.914 472 L HN 0.465 nan 8.230 nan 0.000 0.443 473 D N -1.839 118.603 120.400 0.070 0.000 2.289 473 D HA -0.008 4.633 4.640 0.001 0.000 0.207 473 D C 1.551 177.979 176.300 0.213 0.000 0.966 473 D CA 1.278 55.353 54.000 0.126 0.000 0.868 473 D CB 0.220 41.088 40.800 0.114 0.000 0.943 473 D HN 0.576 nan 8.370 nan 0.000 0.514 474 C N -1.077 118.362 119.300 0.232 0.000 3.798 474 C HA 0.283 4.744 4.460 0.001 0.000 0.285 474 C C 2.469 177.645 174.990 0.311 0.000 1.968 474 C CA -0.789 58.447 59.018 0.363 0.000 1.685 474 C CB -1.283 26.786 27.740 0.548 0.000 3.276 474 C HN 0.401 nan 8.230 nan 0.000 0.525 475 C N -0.805 118.558 119.300 0.104 0.000 2.409 475 C HA 0.079 4.540 4.460 0.001 0.000 0.284 475 C C 1.664 176.558 174.990 -0.160 0.000 1.354 475 C CA 0.847 59.788 59.018 -0.129 0.000 1.787 475 C CB -2.132 25.409 27.740 -0.332 0.000 1.900 475 C HN 0.641 nan 8.230 nan 0.000 0.520 476 F N 0.602 120.671 119.950 0.198 0.000 2.647 476 F HA 0.431 4.958 4.527 0.001 0.000 0.300 476 F C 2.326 178.257 175.800 0.217 0.000 1.106 476 F CA -0.006 58.149 58.000 0.258 0.000 1.313 476 F CB -0.004 39.115 39.000 0.199 0.000 1.007 476 F HN 0.175 nan 8.300 nan 0.000 0.536 477 A N 0.425 123.397 122.820 0.253 0.000 1.940 477 A HA -0.203 4.117 4.320 0.001 0.000 0.219 477 A C 1.845 179.353 177.584 -0.127 0.000 1.176 477 A CA 1.595 53.483 52.037 -0.249 0.000 0.631 477 A CB -0.813 17.821 19.000 -0.610 0.000 0.814 477 A HN 0.327 nan 8.150 nan 0.000 0.446 478 F N 0.148 119.984 119.950 -0.190 0.000 2.095 478 F HA -0.180 4.347 4.527 0.001 0.000 0.298 478 F C 2.628 178.316 175.800 -0.187 0.000 1.104 478 F CA 1.550 59.410 58.000 -0.234 0.000 1.232 478 F CB -0.895 37.927 39.000 -0.296 0.000 0.987 478 F HN 0.396 nan 8.300 nan 0.000 0.475 479 H N -0.536 118.661 119.070 0.212 0.000 2.357 479 H HA -0.115 4.442 4.556 0.001 0.000 0.301 479 H C 2.157 177.536 175.328 0.085 0.000 1.082 479 H CA 1.555 57.669 56.048 0.111 0.000 1.342 479 H CB -0.551 29.256 29.762 0.076 0.000 1.389 479 H HN 0.407 nan 8.280 nan 0.000 0.511 480 Q N 0.363 120.316 119.800 0.255 0.000 2.084 480 Q HA -0.165 4.176 4.340 0.001 0.000 0.202 480 Q C 2.303 178.420 176.000 0.195 0.000 0.978 480 Q CA 1.364 57.307 55.803 0.234 0.000 0.844 480 Q CB 0.082 29.032 28.738 0.354 0.000 0.898 480 Q HN 0.286 nan 8.270 nan 0.000 0.426 481 E N 0.798 121.076 120.200 0.130 0.000 2.150 481 E HA -0.174 4.176 4.350 0.001 0.000 0.193 481 E C 1.684 178.306 176.600 0.036 0.000 0.985 481 E CA 0.506 56.965 56.400 0.099 0.000 0.814 481 E CB -0.161 29.516 29.700 -0.038 0.000 0.752 481 E HN 0.232 nan 8.360 nan 0.000 0.466 482 L N 0.120 121.353 121.223 0.017 0.000 2.083 482 L HA -0.015 4.325 4.340 0.001 0.000 0.209 482 L C 2.104 178.992 176.870 0.031 0.000 1.083 482 L CA 2.250 57.094 54.840 0.008 0.000 0.752 482 L CB -0.880 41.185 42.059 0.011 0.000 0.899 482 L HN 0.159 nan 8.230 nan 0.000 0.433 483 A N -0.915 121.939 122.820 0.057 0.000 1.968 483 A HA -0.083 4.237 4.320 0.001 0.000 0.217 483 A C 2.137 179.750 177.584 0.048 0.000 1.169 483 A CA 1.266 53.334 52.037 0.053 0.000 0.638 483 A CB -0.340 18.700 19.000 0.066 0.000 0.812 483 A HN 0.408 nan 8.150 nan 0.000 0.446 484 K N -0.246 120.191 120.400 0.062 0.000 2.044 484 K HA 0.121 4.441 4.320 0.001 0.000 0.204 484 K C 1.899 178.517 176.600 0.029 0.000 1.045 484 K CA 1.600 57.918 56.287 0.051 0.000 0.951 484 K CB -0.698 31.848 32.500 0.076 0.000 0.738 484 K HN 0.356 nan 8.250 nan 0.000 0.443 485 S N -1.037 114.678 115.700 0.024 0.000 2.497 485 S HA 0.189 4.659 4.470 0.001 0.000 0.221 485 S C 1.219 175.817 174.600 -0.003 0.000 1.037 485 S CA 0.589 58.791 58.200 0.005 0.000 0.920 485 S CB 0.741 63.938 63.200 -0.006 0.000 0.800 485 S HN 0.550 nan 8.310 nan 0.000 0.505 486 G N 1.496 110.295 108.800 -0.002 0.000 2.175 486 G HA2 -0.188 3.772 3.960 0.001 0.000 0.244 486 G HA3 -0.188 3.772 3.960 0.001 0.000 0.244 486 G C -0.227 174.663 174.900 -0.015 0.000 0.982 486 G CA 0.338 45.435 45.100 -0.005 0.000 0.641 486 G HN 0.508 nan 8.290 nan 0.000 0.527 490 N N 0.867 119.450 118.700 -0.196 0.000 2.521 490 N HA 0.036 4.776 4.740 0.001 0.000 0.188 490 N C -0.010 175.415 175.510 -0.143 0.000 1.146 490 N CA 0.501 53.469 53.050 -0.137 0.000 0.893 490 N CB 0.448 38.888 38.487 -0.079 0.000 0.975 490 N HN -0.043 nan 8.380 nan 0.000 0.451 491 V N 1.352 121.106 119.914 -0.266 0.000 2.715 491 V HA 0.149 4.269 4.120 0.001 0.000 0.299 491 V C 0.536 176.425 176.094 -0.342 0.000 1.054 491 V CA 0.029 62.128 62.300 -0.334 0.000 1.077 491 V CB 0.802 32.218 31.823 -0.679 0.000 0.972 491 V HN 0.109 nan 8.190 nan 0.000 0.484 492 R N 2.754 123.111 120.500 -0.240 0.000 2.531 492 R HA 0.200 4.540 4.340 0.001 0.000 0.293 492 R C -0.137 176.138 176.300 -0.042 0.000 1.124 492 R CA -0.525 55.471 56.100 -0.172 0.000 0.945 492 R CB 1.100 31.382 30.300 -0.029 0.000 1.195 492 R HN 0.789 nan 8.270 nan 0.000 0.433 493 W N 1.305 122.738 121.300 0.222 0.000 2.341 493 W HA -0.187 4.473 4.660 0.000 0.000 0.283 493 W C 1.388 178.031 176.519 0.206 0.000 1.215 493 W CA 0.662 58.151 57.345 0.241 0.000 1.211 493 W CB 0.183 29.758 29.460 0.192 0.000 1.131 493 W HN 0.579 nan 8.180 nan 0.000 0.552 494 E N -0.091 120.296 120.200 0.313 0.000 2.338 494 E HA -0.145 4.205 4.350 0.001 0.000 0.197 494 E C 1.344 178.032 176.600 0.147 0.000 1.007 494 E CA 1.215 57.736 56.400 0.202 0.000 0.849 494 E CB -0.381 29.401 29.700 0.137 0.000 0.774 494 E HN 0.209 nan 8.360 nan 0.000 0.506 495 D N -1.153 119.334 120.400 0.145 0.000 2.240 495 D HA -0.022 4.618 4.640 0.001 0.000 0.206 495 D C 0.112 176.369 176.300 -0.072 0.000 0.963 495 D CA 0.606 54.615 54.000 0.014 0.000 0.863 495 D CB 0.128 40.908 40.800 -0.034 0.000 0.973 495 D HN 0.154 nan 8.370 nan 0.000 0.501 496 Y N 0.000 120.387 120.300 0.144 0.000 2.660 496 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 496 Y CA 0.000 58.214 58.100 0.190 0.000 1.940 496 Y CB 0.000 38.624 38.460 0.274 0.000 1.050 496 Y HN 0.000 nan 8.280 nan 0.000 0.758