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 3fg0_1_H DATA FIRST_RESID -3 DATA SEQUENCE QSNAMELLKH LSQRQYIDGE WVESANKNTR DIINPYNQEV IFTVSEGTKE DATA SEQUENCE DAERAILAAR RAFESGEWSQ ETAETRGKKV RAIADKIKEH REALARLETL DATA SEQUENCE DTGKTLEESY ADMDDIHNVF MYFAGLADKD GGEMIDSPIP DTESKIVKEP DATA SEQUENCE VGVVTQITPW NYPLLQASWK IAPALATGCS LVMKPSEITP LTTIRVFELM DATA SEQUENCE EEVGFPKGTI NLILGAGSEV GDVMSGHKEV DLVSFTGGIE TGKHIMKNAA DATA SEQUENCE NNVTNIALEL GGKNPNIIFD DADFELAVDQ ALNGGYFHAG QVCSAGSRIL DATA SEQUENCE VQNSIKDKFE QALIDRVKKI KLGNGFDADT EMGPVISTEH RNKIESYMDV DATA SEQUENCE AKAEGATIAV GGKRPDRDDL KDGLFFEPTV ITNCDTSMRI VQEEVFGPVV DATA SEQUENCE TVEGFETEQE AIQLANDSIY GLAGAVFSKD IGKAQRVANK LKLGTVWIND DATA SEQUENCE FHPYFAQAPW GGYKQSGIGR ELGKEGLEEY LVSKHILTNT NPQLVNWFSK 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 -3 Q HA 0.000 nan 4.340 nan 0.000 0.214 -3 Q C 0.000 175.723 176.000 -0.461 0.000 1.003 -3 Q CA 0.000 55.147 55.803 -1.094 0.000 1.022 -3 Q CB 0.000 28.237 28.738 -0.836 0.000 1.108 -2 S N 0.999 116.528 115.700 -0.284 0.000 2.419 -2 S HA -0.139 4.330 4.470 -0.000 0.000 0.233 -2 S C 1.290 175.804 174.600 -0.144 0.000 1.016 -2 S CA 1.413 59.518 58.200 -0.158 0.000 0.974 -2 S CB -0.424 62.711 63.200 -0.108 0.000 0.786 -2 S HN 0.440 nan 8.310 nan 0.000 0.492 -1 N N 3.532 122.125 118.700 -0.179 0.000 2.039 -1 N HA 0.005 4.745 4.740 -0.000 0.000 0.193 -1 N C 2.032 177.476 175.510 -0.111 0.000 1.044 -1 N CA 1.678 54.652 53.050 -0.126 0.000 0.847 -1 N CB -1.289 37.123 38.487 -0.125 0.000 1.030 -1 N HN 0.577 nan 8.380 nan 0.000 0.422 0 A N 1.731 124.452 122.820 -0.165 0.000 1.902 0 A HA -0.070 4.249 4.320 -0.000 0.000 0.217 0 A C 2.266 179.803 177.584 -0.078 0.000 1.181 0 A CA 1.394 53.378 52.037 -0.087 0.000 0.623 0 A CB -0.439 18.540 19.000 -0.035 0.000 0.818 0 A HN 0.095 nan 8.150 nan 0.000 0.443 1 M N -0.308 119.230 119.600 -0.102 0.000 2.108 1 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 1 M C 1.847 178.111 176.300 -0.059 0.000 1.066 1 M CA 1.527 56.788 55.300 -0.064 0.000 1.107 1 M CB -1.434 31.131 32.600 -0.059 0.000 1.356 1 M HN 0.532 nan 8.290 nan 0.000 0.406 2 E N 0.048 120.209 120.200 -0.065 0.000 2.268 2 E HA -0.107 4.243 4.350 -0.000 0.000 0.195 2 E C 2.115 178.681 176.600 -0.057 0.000 0.995 2 E CA 0.568 56.932 56.400 -0.060 0.000 0.836 2 E CB -0.112 29.560 29.700 -0.047 0.000 0.763 2 E HN 0.484 nan 8.360 nan 0.000 0.491 3 L N 0.479 121.675 121.223 -0.046 0.000 2.083 3 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 3 L C 2.289 179.115 176.870 -0.074 0.000 1.083 3 L CA 0.816 55.638 54.840 -0.031 0.000 0.752 3 L CB -0.347 41.694 42.059 -0.030 0.000 0.899 3 L HN 0.192 nan 8.230 nan 0.000 0.433 4 L N 0.495 121.647 121.223 -0.117 0.000 2.353 4 L HA -0.204 4.136 4.340 -0.000 0.000 0.220 4 L C 2.668 179.520 176.870 -0.030 0.000 1.133 4 L CA 1.069 55.806 54.840 -0.171 0.000 0.798 4 L CB -0.625 41.330 42.059 -0.174 0.000 0.922 4 L HN 0.419 nan 8.230 nan 0.000 0.445 5 K N -0.773 119.565 120.400 -0.103 0.000 2.211 5 K HA -0.204 4.116 4.320 -0.000 0.000 0.204 5 K C 1.263 177.676 176.600 -0.310 0.000 1.047 5 K CA 1.471 57.625 56.287 -0.222 0.000 0.935 5 K CB -0.244 32.025 32.500 -0.386 0.000 0.728 5 K HN 0.432 nan 8.250 nan 0.000 0.452 6 H N -0.268 118.801 119.070 -0.000 0.000 2.755 6 H HA 0.202 4.757 4.556 -0.000 0.000 0.273 6 H C -0.167 175.131 175.328 -0.049 0.000 1.055 6 H CA -0.608 55.425 56.048 -0.025 0.000 1.191 6 H CB 0.355 30.092 29.762 -0.042 0.000 1.536 6 H HN 0.082 nan 8.280 nan 0.000 0.529 7 L N 1.749 123.001 121.223 0.048 0.000 2.397 7 L HA 0.159 4.498 4.340 -0.000 0.000 0.271 7 L C 0.803 177.720 176.870 0.080 0.000 1.148 7 L CA 0.064 54.895 54.840 -0.015 0.000 0.825 7 L CB 1.236 43.182 42.059 -0.188 0.000 1.117 7 L HN -0.048 nan 8.230 nan 0.000 0.456 8 S N 2.694 118.323 115.700 -0.118 0.000 2.568 8 S HA 0.083 4.553 4.470 -0.000 0.000 0.282 8 S C 0.579 175.230 174.600 0.086 0.000 1.338 8 S CA 0.118 58.188 58.200 -0.216 0.000 1.045 8 S CB 0.442 63.140 63.200 -0.837 0.000 0.873 8 S HN 0.800 nan 8.310 nan 0.000 0.516 9 Q N 1.728 121.553 119.800 0.042 0.000 2.194 9 Q HA 0.259 4.599 4.340 -0.000 0.000 0.214 9 Q C 0.204 176.256 176.000 0.087 0.000 0.838 9 Q CA -0.033 55.794 55.803 0.041 0.000 0.972 9 Q CB 0.694 29.326 28.738 -0.177 0.000 1.131 9 Q HN 0.508 nan 8.270 nan 0.000 0.498 10 R N 0.154 120.757 120.500 0.172 0.000 2.875 10 R HA 0.379 4.719 4.340 -0.000 0.000 0.251 10 R C -0.232 176.318 176.300 0.416 0.000 1.123 10 R CA -0.594 55.672 56.100 0.276 0.000 1.064 10 R CB 1.158 31.663 30.300 0.340 0.000 1.205 10 R HN 0.064 nan 8.270 nan 0.000 0.503 11 Q N 0.329 120.290 119.800 0.268 0.000 2.318 11 Q HA 0.159 4.499 4.340 -0.000 0.000 0.222 11 Q C -1.207 174.850 176.000 0.095 0.000 1.003 11 Q CA -0.148 55.738 55.803 0.138 0.000 0.936 11 Q CB 0.790 29.544 28.738 0.026 0.000 1.204 11 Q HN 0.437 nan 8.270 nan 0.000 0.524 12 Y N 1.284 121.370 120.300 -0.357 0.000 2.363 12 Y HA 0.472 5.022 4.550 -0.000 0.000 0.325 12 Y C -1.445 174.234 175.900 -0.368 0.000 0.984 12 Y CA -0.583 57.131 58.100 -0.644 0.000 1.248 12 Y CB 0.551 38.349 38.460 -1.103 0.000 1.116 12 Y HN 0.437 nan 8.280 nan 0.000 0.470 13 I N 5.335 125.554 120.570 -0.584 0.000 2.499 13 I HA 0.230 4.400 4.170 -0.000 0.000 0.288 13 I C -0.528 175.314 176.117 -0.460 0.000 1.048 13 I CA -0.996 60.066 61.300 -0.396 0.000 1.062 13 I CB 1.862 39.735 38.000 -0.212 0.000 1.238 13 I HN 0.525 nan 8.210 nan 0.000 0.426 14 D N 5.251 125.433 120.400 -0.363 0.000 2.697 14 D HA -0.186 4.454 4.640 -0.000 0.000 0.235 14 D C 1.107 177.206 176.300 -0.334 0.000 1.167 14 D CA 1.753 55.595 54.000 -0.263 0.000 0.656 14 D CB -0.650 40.055 40.800 -0.159 0.000 1.025 14 D HN 1.131 nan 8.370 nan 0.000 0.419 15 G N -0.568 107.896 108.800 -0.559 0.000 2.184 15 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.264 15 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.264 15 G C -0.045 174.584 174.900 -0.453 0.000 0.975 15 G CA 0.623 45.469 45.100 -0.423 0.000 0.642 15 G HN 0.486 nan 8.290 nan 0.000 0.536 16 E N -0.975 118.842 120.200 -0.638 0.000 2.248 16 E HA 0.459 4.808 4.350 -0.000 0.000 0.267 16 E C -0.753 175.671 176.600 -0.294 0.000 0.877 16 E CA -1.010 55.221 56.400 -0.282 0.000 0.759 16 E CB 0.867 30.497 29.700 -0.117 0.000 1.182 16 E HN 0.287 nan 8.360 nan 0.000 0.418 17 W N 2.529 123.893 121.300 0.107 0.000 2.356 17 W HA 0.324 4.983 4.660 -0.001 0.000 0.311 17 W C 0.333 176.885 176.519 0.054 0.000 1.328 17 W CA -0.334 57.104 57.345 0.156 0.000 1.251 17 W CB 0.616 30.190 29.460 0.190 0.000 1.280 17 W HN 0.162 nan 8.180 nan 0.000 0.524 18 V N 0.361 120.410 119.914 0.225 0.000 2.925 18 V HA 0.522 4.642 4.120 -0.000 0.000 0.311 18 V C -0.160 175.999 176.094 0.110 0.000 1.104 18 V CA -1.643 60.728 62.300 0.118 0.000 0.954 18 V CB 1.663 33.502 31.823 0.026 0.000 1.022 18 V HN 0.541 nan 8.190 nan 0.000 0.427 19 E N 1.135 121.380 120.200 0.075 0.000 2.397 19 E HA 0.352 4.702 4.350 -0.000 0.000 0.254 19 E C 0.231 176.851 176.600 0.034 0.000 1.231 19 E CA -0.230 56.202 56.400 0.053 0.000 0.954 19 E CB 0.786 30.507 29.700 0.034 0.000 1.024 19 E HN 0.885 nan 8.360 nan 0.000 0.481 20 S N -0.256 115.458 115.700 0.024 0.000 2.572 20 S HA 0.112 4.582 4.470 -0.000 0.000 0.279 20 S C 1.031 175.637 174.600 0.010 0.000 1.341 20 S CA 0.192 58.401 58.200 0.015 0.000 1.043 20 S CB 0.944 64.152 63.200 0.012 0.000 0.887 20 S HN 0.569 nan 8.310 nan 0.000 0.516 21 A N 3.771 126.594 122.820 0.006 0.000 1.978 21 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 21 A C 1.591 179.178 177.584 0.005 0.000 1.170 21 A CA 1.980 54.019 52.037 0.004 0.000 0.636 21 A CB -0.768 18.233 19.000 0.002 0.000 0.810 21 A HN 0.973 nan 8.150 nan 0.000 0.448 22 N N -2.318 116.385 118.700 0.005 0.000 2.230 22 N HA 0.036 4.776 4.740 -0.000 0.000 0.202 22 N C 0.015 175.527 175.510 0.002 0.000 1.119 22 N CA 0.378 53.431 53.050 0.004 0.000 0.851 22 N CB 0.333 38.822 38.487 0.003 0.000 0.990 22 N HN 0.141 nan 8.380 nan 0.000 0.497 23 K N -0.912 119.490 120.400 0.003 0.000 3.274 23 K HA -0.228 4.092 4.320 -0.000 0.000 0.300 23 K C -0.364 176.234 176.600 -0.002 0.000 1.230 23 K CA 0.507 56.794 56.287 0.001 0.000 0.884 23 K CB -2.561 29.938 32.500 -0.001 0.000 1.242 23 K HN 0.530 nan 8.250 nan 0.000 0.467 24 N N 1.437 120.136 118.700 -0.000 0.000 2.482 24 N HA 0.213 4.953 4.740 -0.000 0.000 0.260 24 N C -0.086 175.421 175.510 -0.004 0.000 1.236 24 N CA 0.907 53.956 53.050 -0.002 0.000 0.938 24 N CB 0.750 39.238 38.487 0.002 0.000 1.128 24 N HN 0.337 nan 8.380 nan 0.000 0.448 25 T N -0.942 113.607 114.554 -0.009 0.000 2.841 25 T HA 0.583 4.933 4.350 -0.000 0.000 0.296 25 T C -0.776 173.919 174.700 -0.010 0.000 1.166 25 T CA -1.056 61.035 62.100 -0.015 0.000 1.007 25 T CB 1.709 70.556 68.868 -0.036 0.000 1.253 25 T HN 0.597 nan 8.240 nan 0.000 0.511 26 R N 0.591 121.086 120.500 -0.008 0.000 2.604 26 R HA 0.478 4.818 4.340 -0.000 0.000 0.281 26 R C -1.762 174.539 176.300 0.002 0.000 1.020 26 R CA -0.558 55.543 56.100 0.003 0.000 0.899 26 R CB 1.583 31.894 30.300 0.020 0.000 1.205 26 R HN 0.696 nan 8.270 nan 0.000 0.450 27 D N 4.202 124.605 120.400 0.005 0.000 2.264 27 D HA 0.262 4.902 4.640 -0.000 0.000 0.250 27 D C 0.118 176.443 176.300 0.041 0.000 1.113 27 D CA -0.077 53.932 54.000 0.015 0.000 0.871 27 D CB 1.165 41.969 40.800 0.007 0.000 1.167 27 D HN 0.306 nan 8.370 nan 0.000 0.447 28 I N 3.046 123.663 120.570 0.079 0.000 2.392 28 I HA 0.317 4.487 4.170 -0.000 0.000 0.295 28 I C 0.303 176.468 176.117 0.079 0.000 0.985 28 I CA -0.613 60.744 61.300 0.095 0.000 1.221 28 I CB 1.065 39.163 38.000 0.164 0.000 1.366 28 I HN 0.136 nan 8.210 nan 0.000 0.467 29 I N 4.750 125.349 120.570 0.048 0.000 2.562 29 I HA 0.287 4.457 4.170 -0.000 0.000 0.301 29 I C 0.152 176.290 176.117 0.036 0.000 1.003 29 I CA -0.788 60.533 61.300 0.035 0.000 1.127 29 I CB 1.682 39.685 38.000 0.005 0.000 1.304 29 I HN 0.481 nan 8.210 nan 0.000 0.446 30 N N 7.436 126.167 118.700 0.051 0.000 2.420 30 N HA 0.283 5.023 4.740 -0.000 0.000 0.249 30 N C -1.829 173.707 175.510 0.044 0.000 1.033 30 N CA -2.131 50.960 53.050 0.068 0.000 0.944 30 N CB 1.544 40.106 38.487 0.125 0.000 1.113 30 N HN 0.250 nan 8.380 nan 0.000 0.502 31 P HA -0.148 nan 4.420 nan 0.000 0.225 31 P C 0.998 178.257 177.300 -0.069 0.000 1.148 31 P CA 0.799 63.864 63.100 -0.057 0.000 0.779 31 P CB 0.033 31.674 31.700 -0.098 0.000 0.780 32 Y N 3.222 123.475 120.300 -0.078 0.000 2.224 32 Y HA -0.176 4.374 4.550 -0.000 0.000 0.289 32 Y C 1.361 177.307 175.900 0.077 0.000 1.146 32 Y CA 2.236 60.328 58.100 -0.014 0.000 1.182 32 Y CB -0.544 37.968 38.460 0.086 0.000 0.983 32 Y HN 0.054 nan 8.280 nan 0.000 0.524 33 N N -1.692 116.955 118.700 -0.089 0.000 2.118 33 N HA 0.048 4.787 4.740 -0.000 0.000 0.226 33 N C -0.139 175.342 175.510 -0.048 0.000 1.305 33 N CA 0.400 53.368 53.050 -0.136 0.000 0.890 33 N CB -0.323 38.162 38.487 -0.003 0.000 1.118 33 N HN 0.365 nan 8.380 nan 0.000 0.511 34 Q N -0.289 119.494 119.800 -0.029 0.000 2.461 34 Q HA -0.225 4.115 4.340 -0.000 0.000 0.264 34 Q C -1.097 174.906 176.000 0.004 0.000 1.085 34 Q CA 1.099 56.891 55.803 -0.018 0.000 1.006 34 Q CB -1.607 27.113 28.738 -0.031 0.000 1.437 34 Q HN 0.642 nan 8.270 nan 0.000 0.514 35 E N 0.156 120.372 120.200 0.026 0.000 2.313 35 E HA 0.336 4.686 4.350 -0.000 0.000 0.272 35 E C -0.114 176.511 176.600 0.043 0.000 1.038 35 E CA -0.560 55.861 56.400 0.035 0.000 0.863 35 E CB 1.402 31.132 29.700 0.049 0.000 1.060 35 E HN -0.052 nan 8.360 nan 0.000 0.402 36 V N 4.473 124.409 119.914 0.038 0.000 2.485 36 V HA -0.039 4.081 4.120 -0.000 0.000 0.287 36 V C 1.127 177.263 176.094 0.070 0.000 1.022 36 V CA 0.675 63.004 62.300 0.048 0.000 1.067 36 V CB -0.045 31.797 31.823 0.032 0.000 0.967 36 V HN 0.616 nan 8.190 nan 0.000 0.479 37 I N 1.393 122.026 120.570 0.104 0.000 4.181 37 I HA 0.523 4.693 4.170 -0.000 0.000 0.331 37 I C 0.088 176.364 176.117 0.264 0.000 1.312 37 I CA 0.415 61.797 61.300 0.137 0.000 1.146 37 I CB 0.559 38.624 38.000 0.109 0.000 1.074 37 I HN 0.451 nan 8.210 nan 0.000 0.402 38 F N 0.600 120.553 119.950 0.005 0.000 2.725 38 F HA 0.566 5.093 4.527 0.000 0.000 0.309 38 F C -1.387 174.415 175.800 0.002 0.000 1.132 38 F CA -0.523 57.477 58.000 0.001 0.000 0.957 38 F CB 2.032 41.035 39.000 0.004 0.000 1.286 38 F HN -0.282 nan 8.300 nan 0.000 0.440 39 T N 3.834 118.125 114.554 -0.439 0.000 2.841 39 T HA 0.667 5.017 4.350 -0.000 0.000 0.285 39 T C -1.071 173.405 174.700 -0.373 0.000 0.991 39 T CA -0.581 61.347 62.100 -0.287 0.000 0.966 39 T CB 1.284 70.021 68.868 -0.220 0.000 0.962 39 T HN 0.669 nan 8.240 nan 0.000 0.438 40 V N 0.566 120.403 119.914 -0.129 0.000 3.046 40 V HA 0.791 4.911 4.120 -0.000 0.000 0.316 40 V C 0.224 176.308 176.094 -0.016 0.000 1.104 40 V CA -1.024 61.245 62.300 -0.051 0.000 1.006 40 V CB 1.875 33.751 31.823 0.089 0.000 1.058 40 V HN 0.754 nan 8.190 nan 0.000 0.440 41 S N 1.349 117.057 115.700 0.012 0.000 2.558 41 S HA 0.223 4.693 4.470 -0.000 0.000 0.288 41 S C -0.023 174.594 174.600 0.027 0.000 1.318 41 S CA 0.307 58.520 58.200 0.021 0.000 1.056 41 S CB 0.282 63.509 63.200 0.045 0.000 0.853 41 S HN 0.974 nan 8.310 nan 0.000 0.505 42 E N 1.680 121.890 120.200 0.018 0.000 2.149 42 E HA 0.470 4.820 4.350 -0.000 0.000 0.255 42 E C 0.331 176.940 176.600 0.016 0.000 0.888 42 E CA -0.343 56.069 56.400 0.019 0.000 0.742 42 E CB 0.361 30.069 29.700 0.013 0.000 1.164 42 E HN 0.643 nan 8.360 nan 0.000 0.422 43 G N 2.493 111.303 108.800 0.017 0.000 2.667 43 G HA2 0.341 4.300 3.960 -0.000 0.000 0.250 43 G HA3 0.341 4.300 3.960 -0.000 0.000 0.250 43 G C 0.059 174.965 174.900 0.010 0.000 1.212 43 G CA 0.116 45.223 45.100 0.011 0.000 0.874 43 G HN 0.563 nan 8.290 nan 0.000 0.561 44 T N -2.662 111.896 114.554 0.007 0.000 2.949 44 T HA 0.391 4.741 4.350 -0.000 0.000 0.287 44 T C 1.403 176.108 174.700 0.009 0.000 1.034 44 T CA -0.282 61.824 62.100 0.008 0.000 1.018 44 T CB 1.851 70.724 68.868 0.007 0.000 1.135 44 T HN 0.643 nan 8.240 nan 0.000 0.532 45 K N 0.256 120.664 120.400 0.014 0.000 2.147 45 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 45 K C 1.415 178.026 176.600 0.019 0.000 1.049 45 K CA 1.486 57.785 56.287 0.020 0.000 0.936 45 K CB -0.249 32.267 32.500 0.027 0.000 0.722 45 K HN 0.551 nan 8.250 nan 0.000 0.446 46 E N 1.508 121.716 120.200 0.014 0.000 2.150 46 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 46 E C 1.601 178.199 176.600 -0.003 0.000 0.985 46 E CA 1.286 57.693 56.400 0.011 0.000 0.814 46 E CB -0.119 29.587 29.700 0.010 0.000 0.752 46 E HN 0.366 nan 8.360 nan 0.000 0.466 47 D N 0.286 120.682 120.400 -0.008 0.000 2.117 47 D HA -0.125 4.514 4.640 -0.000 0.000 0.197 47 D C 1.847 178.127 176.300 -0.034 0.000 0.987 47 D CA 1.457 55.444 54.000 -0.022 0.000 0.829 47 D CB -0.253 40.536 40.800 -0.018 0.000 0.961 47 D HN 0.210 nan 8.370 nan 0.000 0.460 48 A N 0.976 123.782 122.820 -0.023 0.000 1.902 48 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 48 A C 2.134 179.681 177.584 -0.061 0.000 1.181 48 A CA 1.839 53.857 52.037 -0.032 0.000 0.623 48 A CB -0.577 18.419 19.000 -0.007 0.000 0.818 48 A HN 0.273 nan 8.150 nan 0.000 0.443 49 E N -0.400 119.776 120.200 -0.040 0.000 2.077 49 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 49 E C 2.245 178.783 176.600 -0.103 0.000 0.989 49 E CA 1.236 57.591 56.400 -0.074 0.000 0.800 49 E CB -0.147 29.577 29.700 0.040 0.000 0.746 49 E HN 0.573 nan 8.360 nan 0.000 0.452 50 R N -0.076 120.388 120.500 -0.059 0.000 2.096 50 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 50 R C 2.200 178.451 176.300 -0.081 0.000 1.127 50 R CA 1.342 57.406 56.100 -0.059 0.000 0.968 50 R CB -0.283 29.990 30.300 -0.045 0.000 0.861 50 R HN 0.241 nan 8.270 nan 0.000 0.440 51 A N 0.768 123.534 122.820 -0.089 0.000 1.902 51 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 51 A C 2.120 179.647 177.584 -0.095 0.000 1.181 51 A CA 1.352 53.335 52.037 -0.091 0.000 0.623 51 A CB -0.450 18.500 19.000 -0.085 0.000 0.818 51 A HN 0.349 nan 8.150 nan 0.000 0.443 52 I N -0.336 120.147 120.570 -0.145 0.000 2.179 52 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 52 I C 2.326 178.346 176.117 -0.162 0.000 1.088 52 I CA 1.075 62.259 61.300 -0.194 0.000 1.357 52 I CB -0.304 37.460 38.000 -0.393 0.000 1.051 52 I HN 0.285 nan 8.210 nan 0.000 0.409 53 L N 0.409 121.536 121.223 -0.160 0.000 2.083 53 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 53 L C 2.811 179.665 176.870 -0.026 0.000 1.083 53 L CA 1.212 56.011 54.840 -0.069 0.000 0.752 53 L CB -0.708 41.328 42.059 -0.038 0.000 0.899 53 L HN 0.252 nan 8.230 nan 0.000 0.433 54 A N 0.023 122.820 122.820 -0.038 0.000 1.898 54 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 54 A C 2.539 180.130 177.584 0.011 0.000 1.181 54 A CA 1.538 53.563 52.037 -0.021 0.000 0.620 54 A CB -0.574 18.395 19.000 -0.052 0.000 0.819 54 A HN 0.381 nan 8.150 nan 0.000 0.442 55 A N -0.063 122.761 122.820 0.007 0.000 1.930 55 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 55 A C 2.176 179.821 177.584 0.102 0.000 1.175 55 A CA 2.073 54.141 52.037 0.051 0.000 0.627 55 A CB -0.409 18.607 19.000 0.025 0.000 0.815 55 A HN 0.478 nan 8.150 nan 0.000 0.443 56 R N 0.147 120.686 120.500 0.066 0.000 2.075 56 R HA -0.053 4.286 4.340 -0.000 0.000 0.232 56 R C 2.266 178.656 176.300 0.151 0.000 1.126 56 R CA 1.921 58.086 56.100 0.108 0.000 0.963 56 R CB -0.636 29.701 30.300 0.062 0.000 0.858 56 R HN 0.509 nan 8.270 nan 0.000 0.435 57 R N -0.158 120.400 120.500 0.097 0.000 2.081 57 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 57 R C 1.945 178.307 176.300 0.103 0.000 1.131 57 R CA 1.625 57.776 56.100 0.086 0.000 0.960 57 R CB -0.443 29.887 30.300 0.050 0.000 0.856 57 R HN 0.333 nan 8.270 nan 0.000 0.436 58 A N 0.506 123.395 122.820 0.114 0.000 1.877 58 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 58 A C 1.993 179.678 177.584 0.168 0.000 1.186 58 A CA 1.285 53.398 52.037 0.127 0.000 0.620 58 A CB -0.823 18.252 19.000 0.125 0.000 0.822 58 A HN 0.503 nan 8.150 nan 0.000 0.443 59 F N 1.034 121.036 119.950 0.087 0.000 2.095 59 F HA -0.179 4.347 4.527 -0.000 0.000 0.298 59 F C 2.243 178.090 175.800 0.079 0.000 1.104 59 F CA 2.170 60.230 58.000 0.100 0.000 1.232 59 F CB -0.013 39.039 39.000 0.087 0.000 0.987 59 F HN 0.227 nan 8.300 nan 0.000 0.475 60 E N -0.070 120.223 120.200 0.154 0.000 2.204 60 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 60 E C 2.416 179.007 176.600 -0.015 0.000 0.989 60 E CA 1.176 57.613 56.400 0.061 0.000 0.824 60 E CB -0.777 28.993 29.700 0.117 0.000 0.756 60 E HN 0.534 nan 8.360 nan 0.000 0.477 61 S N -0.333 115.369 115.700 0.004 0.000 2.447 61 S HA -0.005 4.465 4.470 -0.000 0.000 0.233 61 S C 1.805 176.386 174.600 -0.032 0.000 1.006 61 S CA 1.117 59.318 58.200 0.001 0.000 0.957 61 S CB -0.249 62.969 63.200 0.030 0.000 0.773 61 S HN 0.322 nan 8.310 nan 0.000 0.507 62 G N 0.945 109.690 108.800 -0.091 0.000 2.162 62 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.260 62 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.260 62 G C 0.526 175.403 174.900 -0.039 0.000 0.976 62 G CA 0.596 45.619 45.100 -0.128 0.000 0.655 62 G HN 0.592 nan 8.290 nan 0.000 0.533 63 E N -1.433 118.792 120.200 0.043 0.000 2.153 63 E HA -0.051 4.298 4.350 -0.000 0.000 0.194 63 E C 1.941 178.668 176.600 0.212 0.000 0.988 63 E CA 1.255 57.719 56.400 0.108 0.000 0.811 63 E CB -0.042 29.736 29.700 0.130 0.000 0.746 63 E HN 0.775 nan 8.360 nan 0.000 0.466 64 W N 0.151 121.455 121.300 0.007 0.000 2.699 64 W HA -0.022 4.638 4.660 -0.001 0.000 0.267 64 W C 2.268 178.791 176.519 0.007 0.000 1.182 64 W CA 1.016 58.391 57.345 0.049 0.000 1.453 64 W CB 0.176 29.706 29.460 0.116 0.000 1.054 64 W HN 0.083 nan 8.180 nan 0.000 0.595 65 S N 0.096 115.760 115.700 -0.059 0.000 2.447 65 S HA -0.161 4.309 4.470 -0.000 0.000 0.233 65 S C 1.238 175.697 174.600 -0.236 0.000 1.006 65 S CA 0.936 59.000 58.200 -0.227 0.000 0.957 65 S CB -0.330 62.518 63.200 -0.588 0.000 0.773 65 S HN 0.239 nan 8.310 nan 0.000 0.507 66 Q N 0.593 120.277 119.800 -0.194 0.000 2.219 66 Q HA 0.375 4.715 4.340 -0.000 0.000 0.209 66 Q C 0.011 175.924 176.000 -0.145 0.000 0.854 66 Q CA 0.005 55.718 55.803 -0.150 0.000 0.960 66 Q CB 0.228 28.898 28.738 -0.113 0.000 1.116 66 Q HN 0.680 nan 8.270 nan 0.000 0.500 67 E N 2.055 122.130 120.200 -0.207 0.000 2.404 67 E HA 0.029 4.378 4.350 -0.000 0.000 0.261 67 E C -0.250 176.217 176.600 -0.221 0.000 1.074 67 E CA 0.049 56.321 56.400 -0.213 0.000 0.917 67 E CB 0.665 30.170 29.700 -0.325 0.000 0.965 67 E HN 0.145 nan 8.360 nan 0.000 0.433 68 T N 1.132 115.594 114.554 -0.154 0.000 2.932 68 T HA 0.276 4.625 4.350 -0.000 0.000 0.312 68 T C 1.187 175.794 174.700 -0.155 0.000 1.071 68 T CA -0.090 61.936 62.100 -0.124 0.000 1.128 68 T CB 1.241 70.063 68.868 -0.076 0.000 0.984 68 T HN 0.525 nan 8.240 nan 0.000 0.549 69 A N 1.460 124.208 122.820 -0.119 0.000 1.972 69 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 69 A C 2.308 179.849 177.584 -0.071 0.000 1.169 69 A CA 1.776 53.749 52.037 -0.105 0.000 0.635 69 A CB -0.975 17.988 19.000 -0.061 0.000 0.810 69 A HN 1.048 nan 8.150 nan 0.000 0.446 70 E N -0.739 119.429 120.200 -0.053 0.000 2.077 70 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 70 E C 1.897 178.486 176.600 -0.019 0.000 0.989 70 E CA 1.691 58.074 56.400 -0.028 0.000 0.800 70 E CB -0.142 29.544 29.700 -0.024 0.000 0.746 70 E HN 0.540 nan 8.360 nan 0.000 0.452 71 T N 0.543 115.073 114.554 -0.041 0.000 2.821 71 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 71 T C 1.805 176.512 174.700 0.012 0.000 1.046 71 T CA 0.926 63.017 62.100 -0.016 0.000 1.139 71 T CB -0.123 68.729 68.868 -0.027 0.000 0.871 71 T HN 0.178 nan 8.240 nan 0.000 0.454 72 R N 0.508 120.945 120.500 -0.105 0.000 2.096 72 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 72 R C 2.846 179.252 176.300 0.177 0.000 1.127 72 R CA 1.308 57.370 56.100 -0.063 0.000 0.968 72 R CB -0.691 29.380 30.300 -0.383 0.000 0.861 72 R HN 0.420 nan 8.270 nan 0.000 0.440 73 G N 1.520 110.373 108.800 0.089 0.000 2.422 73 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.218 73 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.218 73 G C 1.236 176.213 174.900 0.128 0.000 1.146 73 G CA 0.524 45.692 45.100 0.113 0.000 0.769 73 G HN 0.256 nan 8.290 nan 0.000 0.547 74 K N 0.276 120.736 120.400 0.101 0.000 2.057 74 K HA -0.047 4.273 4.320 -0.000 0.000 0.207 74 K C 2.557 179.227 176.600 0.117 0.000 1.049 74 K CA 1.014 57.354 56.287 0.088 0.000 0.931 74 K CB -0.057 32.477 32.500 0.057 0.000 0.714 74 K HN 0.080 nan 8.250 nan 0.000 0.440 75 K N 0.670 121.181 120.400 0.186 0.000 2.057 75 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 75 K C 2.152 178.914 176.600 0.269 0.000 1.050 75 K CA 0.973 57.379 56.287 0.198 0.000 0.935 75 K CB -0.312 32.385 32.500 0.328 0.000 0.715 75 K HN 0.002 nan 8.250 nan 0.000 0.439 76 V N 1.888 122.003 119.914 0.334 0.000 2.427 76 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 76 V C 2.599 178.822 176.094 0.216 0.000 1.051 76 V CA 1.399 63.893 62.300 0.324 0.000 1.048 76 V CB -0.506 31.536 31.823 0.365 0.000 0.666 76 V HN 0.301 nan 8.190 nan 0.000 0.456 77 R N 0.771 121.368 120.500 0.162 0.000 2.096 77 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 77 R C 2.248 178.592 176.300 0.074 0.000 1.127 77 R CA 1.821 57.984 56.100 0.106 0.000 0.968 77 R CB -0.527 29.822 30.300 0.082 0.000 0.861 77 R HN 0.472 nan 8.270 nan 0.000 0.440 78 A N 1.153 124.012 122.820 0.065 0.000 1.933 78 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 78 A C 2.316 179.899 177.584 -0.001 0.000 1.175 78 A CA 1.311 53.367 52.037 0.032 0.000 0.628 78 A CB -0.439 18.566 19.000 0.008 0.000 0.814 78 A HN 0.347 nan 8.150 nan 0.000 0.444 79 I N -0.269 120.276 120.570 -0.041 0.000 2.179 79 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 79 I C 2.999 178.951 176.117 -0.275 0.000 1.088 79 I CA 1.004 62.166 61.300 -0.231 0.000 1.357 79 I CB -0.446 37.260 38.000 -0.490 0.000 1.051 79 I HN 0.354 nan 8.210 nan 0.000 0.409 80 A N 0.788 123.517 122.820 -0.151 0.000 1.892 80 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 80 A C 1.948 179.681 177.584 0.247 0.000 1.188 80 A CA 2.366 54.425 52.037 0.037 0.000 0.631 80 A CB -0.703 18.280 19.000 -0.027 0.000 0.822 80 A HN 0.377 nan 8.150 nan 0.000 0.447 81 D N -0.277 120.224 120.400 0.168 0.000 2.144 81 D HA -0.104 4.536 4.640 -0.000 0.000 0.199 81 D C 1.877 178.224 176.300 0.077 0.000 0.984 81 D CA 1.026 55.118 54.000 0.153 0.000 0.834 81 D CB -0.189 40.668 40.800 0.094 0.000 0.955 81 D HN 0.312 nan 8.370 nan 0.000 0.465 82 K N 0.553 120.988 120.400 0.057 0.000 2.097 82 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 82 K C 2.098 178.783 176.600 0.142 0.000 1.049 82 K CA 0.359 56.706 56.287 0.099 0.000 0.933 82 K CB -0.190 32.356 32.500 0.076 0.000 0.717 82 K HN 0.224 nan 8.250 nan 0.000 0.442 83 I N 1.430 122.060 120.570 0.100 0.000 2.179 83 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 83 I C 2.441 178.628 176.117 0.117 0.000 1.088 83 I CA 1.295 62.677 61.300 0.137 0.000 1.357 83 I CB -0.895 37.216 38.000 0.184 0.000 1.051 83 I HN 0.221 nan 8.210 nan 0.000 0.409 84 K N 1.120 121.559 120.400 0.065 0.000 2.097 84 K HA -0.230 4.090 4.320 -0.000 0.000 0.205 84 K C 2.108 178.657 176.600 -0.084 0.000 1.050 84 K CA 1.547 57.779 56.287 -0.092 0.000 0.938 84 K CB -0.065 32.226 32.500 -0.347 0.000 0.718 84 K HN 0.282 nan 8.250 nan 0.000 0.442 85 E N -0.279 119.859 120.200 -0.103 0.000 2.085 85 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 85 E C 0.737 177.127 176.600 -0.349 0.000 0.994 85 E CA 1.147 57.399 56.400 -0.246 0.000 0.801 85 E CB 0.085 29.588 29.700 -0.329 0.000 0.743 85 E HN 0.468 nan 8.360 nan 0.000 0.453 86 H N -0.597 118.479 119.070 0.010 0.000 2.487 86 H HA 0.150 4.706 4.556 0.000 0.000 0.290 86 H C 1.417 176.771 175.328 0.044 0.000 1.081 86 H CA -0.066 55.995 56.048 0.022 0.000 1.116 86 H CB 0.318 30.091 29.762 0.017 0.000 1.560 86 H HN 0.187 nan 8.280 nan 0.000 0.548 87 R N 1.247 121.810 120.500 0.105 0.000 2.112 87 R HA -0.163 4.177 4.340 -0.000 0.000 0.242 87 R C 1.508 177.917 176.300 0.181 0.000 1.137 87 R CA 1.610 57.786 56.100 0.126 0.000 0.944 87 R CB 0.303 30.645 30.300 0.070 0.000 0.857 87 R HN 0.214 nan 8.270 nan 0.000 0.435 88 E N 0.070 120.373 120.200 0.172 0.000 2.051 88 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 88 E C 1.952 178.653 176.600 0.167 0.000 0.991 88 E CA 1.345 57.886 56.400 0.236 0.000 0.799 88 E CB -0.347 29.456 29.700 0.170 0.000 0.748 88 E HN 0.504 nan 8.360 nan 0.000 0.449 89 A N 1.323 124.224 122.820 0.135 0.000 1.877 89 A HA -0.139 4.180 4.320 -0.000 0.000 0.216 89 A C 2.425 180.053 177.584 0.073 0.000 1.186 89 A CA 1.118 53.215 52.037 0.099 0.000 0.620 89 A CB -0.777 18.287 19.000 0.106 0.000 0.822 89 A HN 0.160 nan 8.150 nan 0.000 0.443 90 L N -0.772 120.504 121.223 0.088 0.000 2.046 90 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 90 L C 3.119 180.004 176.870 0.024 0.000 1.077 90 L CA 1.151 56.027 54.840 0.059 0.000 0.747 90 L CB -0.517 41.596 42.059 0.091 0.000 0.896 90 L HN 0.448 nan 8.230 nan 0.000 0.432 91 A N -0.059 122.775 122.820 0.023 0.000 1.902 91 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 91 A C 2.373 179.870 177.584 -0.145 0.000 1.181 91 A CA 1.556 53.531 52.037 -0.102 0.000 0.623 91 A CB -0.463 18.402 19.000 -0.225 0.000 0.818 91 A HN 0.323 nan 8.150 nan 0.000 0.443 92 R N -1.379 119.103 120.500 -0.030 0.000 2.075 92 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 92 R C 2.056 178.416 176.300 0.099 0.000 1.126 92 R CA 1.296 57.461 56.100 0.109 0.000 0.963 92 R CB -0.500 29.915 30.300 0.192 0.000 0.858 92 R HN 0.437 nan 8.270 nan 0.000 0.435 93 L N 1.335 122.578 121.223 0.034 0.000 2.046 93 L HA -0.169 4.170 4.340 -0.000 0.000 0.208 93 L C 2.090 178.938 176.870 -0.037 0.000 1.077 93 L CA 1.824 56.663 54.840 -0.001 0.000 0.747 93 L CB -0.444 41.596 42.059 -0.032 0.000 0.896 93 L HN 0.053 nan 8.230 nan 0.000 0.432 94 E N -1.337 118.822 120.200 -0.070 0.000 2.077 94 E HA -0.177 4.172 4.350 -0.000 0.000 0.193 94 E C 2.087 178.580 176.600 -0.178 0.000 0.989 94 E CA 1.757 58.092 56.400 -0.108 0.000 0.800 94 E CB -0.217 29.411 29.700 -0.119 0.000 0.746 94 E HN 0.423 nan 8.360 nan 0.000 0.452 95 T N 0.591 114.984 114.554 -0.269 0.000 2.788 95 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 95 T C 1.620 176.116 174.700 -0.341 0.000 1.044 95 T CA 1.063 62.895 62.100 -0.447 0.000 1.139 95 T CB -0.286 68.098 68.868 -0.807 0.000 0.867 95 T HN 0.085 nan 8.240 nan 0.000 0.454 96 L N 1.416 122.564 121.223 -0.126 0.000 2.017 96 L HA -0.059 4.280 4.340 -0.000 0.000 0.208 96 L C 2.038 178.921 176.870 0.021 0.000 1.073 96 L CA 1.881 56.769 54.840 0.079 0.000 0.745 96 L CB -0.578 41.584 42.059 0.172 0.000 0.894 96 L HN 0.095 nan 8.230 nan 0.000 0.432 97 D N -1.879 118.511 120.400 -0.016 0.000 2.162 97 D HA -0.105 4.535 4.640 -0.000 0.000 0.203 97 D C 1.946 178.244 176.300 -0.003 0.000 0.967 97 D CA 1.511 55.509 54.000 -0.002 0.000 0.840 97 D CB 0.244 41.041 40.800 -0.004 0.000 0.972 97 D HN 0.521 nan 8.370 nan 0.000 0.482 98 T N -4.467 110.066 114.554 -0.034 0.000 2.985 98 T HA 0.364 4.713 4.350 -0.000 0.000 0.254 98 T C 1.649 176.352 174.700 0.005 0.000 1.021 98 T CA 0.816 62.921 62.100 0.008 0.000 0.957 98 T CB 0.751 69.615 68.868 -0.007 0.000 1.047 98 T HN 0.134 nan 8.240 nan 0.000 0.511 99 G N 2.571 111.325 108.800 -0.076 0.000 2.234 99 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 99 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 99 G C 0.137 174.955 174.900 -0.135 0.000 0.987 99 G CA 0.568 45.617 45.100 -0.085 0.000 0.625 99 G HN 1.055 nan 8.290 nan 0.000 0.532 100 K N 1.167 121.429 120.400 -0.230 0.000 2.276 100 K HA 0.464 4.784 4.320 -0.000 0.000 0.259 100 K C 0.896 177.298 176.600 -0.331 0.000 1.001 100 K CA 0.261 56.346 56.287 -0.337 0.000 0.927 100 K CB 0.180 32.239 32.500 -0.734 0.000 0.969 100 K HN 0.541 nan 8.250 nan 0.000 0.490 101 T N 0.295 114.690 114.554 -0.265 0.000 2.903 101 T HA -0.040 4.309 4.350 -0.000 0.000 0.314 101 T C 1.122 175.619 174.700 -0.338 0.000 1.078 101 T CA -0.666 61.279 62.100 -0.260 0.000 1.114 101 T CB 0.620 69.388 68.868 -0.167 0.000 0.987 101 T HN 0.609 nan 8.240 nan 0.000 0.548 102 L N 0.995 122.001 121.223 -0.361 0.000 2.042 102 L HA 0.010 4.349 4.340 -0.000 0.000 0.210 102 L C 2.611 179.219 176.870 -0.437 0.000 1.076 102 L CA 1.978 56.540 54.840 -0.463 0.000 0.749 102 L CB -1.259 40.588 42.059 -0.353 0.000 0.893 102 L HN 0.947 nan 8.230 nan 0.000 0.432 103 E N -0.065 120.027 120.200 -0.179 0.000 2.110 103 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 103 E C 2.069 178.623 176.600 -0.077 0.000 0.988 103 E CA 1.631 58.026 56.400 -0.008 0.000 0.804 103 E CB -0.102 29.595 29.700 -0.005 0.000 0.745 103 E HN 0.614 nan 8.360 nan 0.000 0.458 104 E N -0.597 119.491 120.200 -0.187 0.000 2.077 104 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 104 E C 2.135 178.637 176.600 -0.164 0.000 0.989 104 E CA 1.229 57.506 56.400 -0.204 0.000 0.800 104 E CB -0.053 29.475 29.700 -0.286 0.000 0.746 104 E HN 0.133 nan 8.360 nan 0.000 0.452 105 S N 0.041 115.593 115.700 -0.248 0.000 2.368 105 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 105 S C 1.674 176.211 174.600 -0.104 0.000 1.029 105 S CA 0.897 58.960 58.200 -0.228 0.000 0.988 105 S CB -0.259 62.736 63.200 -0.342 0.000 0.838 105 S HN 0.282 nan 8.310 nan 0.000 0.462 106 Y N 1.876 122.146 120.300 -0.050 0.000 2.165 106 Y HA -0.124 4.427 4.550 0.000 0.000 0.286 106 Y C 2.669 178.568 175.900 -0.003 0.000 1.155 106 Y CA 0.342 58.430 58.100 -0.019 0.000 1.164 106 Y CB -1.198 37.247 38.460 -0.025 0.000 0.978 106 Y HN 0.257 nan 8.280 nan 0.000 0.513 107 A N 0.202 123.103 122.820 0.136 0.000 1.908 107 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 107 A C 1.978 179.627 177.584 0.108 0.000 1.181 107 A CA 2.138 54.226 52.037 0.085 0.000 0.627 107 A CB -0.857 18.153 19.000 0.017 0.000 0.818 107 A HN 0.381 nan 8.150 nan 0.000 0.445 108 D N -0.461 120.003 120.400 0.106 0.000 2.104 108 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 108 D C 2.011 178.408 176.300 0.161 0.000 0.994 108 D CA 1.446 55.534 54.000 0.146 0.000 0.830 108 D CB -0.313 40.558 40.800 0.118 0.000 0.959 108 D HN 0.283 nan 8.370 nan 0.000 0.452 109 M N 0.720 120.410 119.600 0.149 0.000 2.159 109 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 109 M C 1.407 177.828 176.300 0.201 0.000 1.063 109 M CA 1.125 56.530 55.300 0.175 0.000 1.110 109 M CB -0.828 31.873 32.600 0.168 0.000 1.374 109 M HN -0.012 nan 8.290 nan 0.000 0.411 110 D N 0.371 120.875 120.400 0.173 0.000 2.117 110 D HA -0.155 4.484 4.640 -0.000 0.000 0.198 110 D C 1.669 178.101 176.300 0.219 0.000 0.982 110 D CA 1.265 55.367 54.000 0.171 0.000 0.828 110 D CB -0.314 40.553 40.800 0.113 0.000 0.967 110 D HN 0.352 nan 8.370 nan 0.000 0.464 111 D N 0.276 120.800 120.400 0.207 0.000 2.117 111 D HA -0.064 4.576 4.640 -0.000 0.000 0.198 111 D C 2.190 178.658 176.300 0.280 0.000 0.982 111 D CA 0.472 54.615 54.000 0.237 0.000 0.828 111 D CB -0.116 40.842 40.800 0.263 0.000 0.967 111 D HN 0.147 nan 8.370 nan 0.000 0.464 112 I N -0.400 120.345 120.570 0.291 0.000 2.226 112 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 112 I C 2.269 178.640 176.117 0.424 0.000 1.100 112 I CA 1.243 62.746 61.300 0.338 0.000 1.374 112 I CB -0.361 37.833 38.000 0.323 0.000 1.057 112 I HN 0.172 nan 8.210 nan 0.000 0.413 113 H N 1.537 120.780 119.070 0.287 0.000 2.319 113 H HA -0.179 4.376 4.556 -0.001 0.000 0.299 113 H C 2.016 177.504 175.328 0.265 0.000 1.092 113 H CA 2.067 58.275 56.048 0.266 0.000 1.302 113 H CB -0.067 29.795 29.762 0.166 0.000 1.373 113 H HN 0.218 nan 8.280 nan 0.000 0.497 114 N N -0.117 118.695 118.700 0.185 0.000 2.244 114 N HA -0.110 4.630 4.740 -0.000 0.000 0.183 114 N C 2.069 177.645 175.510 0.110 0.000 1.016 114 N CA 1.071 54.179 53.050 0.098 0.000 0.866 114 N CB -0.214 38.356 38.487 0.138 0.000 0.980 114 N HN 0.245 nan 8.380 nan 0.000 0.430 115 V N 0.756 120.768 119.914 0.162 0.000 2.270 115 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 115 V C 1.879 178.098 176.094 0.207 0.000 1.043 115 V CA 1.393 63.784 62.300 0.152 0.000 1.014 115 V CB -0.658 31.268 31.823 0.171 0.000 0.645 115 V HN 0.083 nan 8.190 nan 0.000 0.447 116 F N -0.978 119.095 119.950 0.203 0.000 2.126 116 F HA -0.244 4.283 4.527 -0.001 0.000 0.299 116 F C 2.357 178.215 175.800 0.096 0.000 1.096 116 F CA 2.198 60.300 58.000 0.169 0.000 1.255 116 F CB -0.596 38.462 39.000 0.096 0.000 0.997 116 F HN 0.124 nan 8.300 nan 0.000 0.479 117 M N -1.002 118.677 119.600 0.130 0.000 2.175 117 M HA -0.216 4.264 4.480 -0.000 0.000 0.264 117 M C 2.030 178.358 176.300 0.047 0.000 1.063 117 M CA 1.583 56.894 55.300 0.017 0.000 1.119 117 M CB -0.890 31.623 32.600 -0.146 0.000 1.377 117 M HN 0.269 nan 8.290 nan 0.000 0.415 118 Y N -0.385 119.867 120.300 -0.079 0.000 2.114 118 Y HA -0.241 4.308 4.550 -0.001 0.000 0.284 118 Y C 1.628 177.388 175.900 -0.233 0.000 1.143 118 Y CA 2.063 60.036 58.100 -0.211 0.000 1.135 118 Y CB -0.543 37.694 38.460 -0.372 0.000 0.980 118 Y HN 0.213 nan 8.280 nan 0.000 0.499 119 F N -0.063 119.936 119.950 0.081 0.000 2.325 119 F HA -0.036 4.491 4.527 0.001 0.000 0.299 119 F C 2.533 178.322 175.800 -0.020 0.000 1.090 119 F CA 0.943 58.943 58.000 -0.001 0.000 1.392 119 F CB -1.112 37.926 39.000 0.062 0.000 1.053 119 F HN 0.171 nan 8.300 nan 0.000 0.521 120 A N 0.305 123.233 122.820 0.180 0.000 1.883 120 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 120 A C 2.588 180.187 177.584 0.026 0.000 1.186 120 A CA 1.887 54.001 52.037 0.128 0.000 0.624 120 A CB -1.563 17.515 19.000 0.129 0.000 0.822 120 A HN 0.389 nan 8.150 nan 0.000 0.444 121 G N -1.016 107.745 108.800 -0.065 0.000 2.443 121 G HA2 -0.015 3.944 3.960 -0.000 0.000 0.219 121 G HA3 -0.015 3.944 3.960 -0.000 0.000 0.219 121 G C 1.347 176.146 174.900 -0.169 0.000 1.131 121 G CA 1.078 46.104 45.100 -0.123 0.000 0.775 121 G HN 0.431 nan 8.290 nan 0.000 0.547 122 L N 0.881 121.965 121.223 -0.232 0.000 2.375 122 L HA 0.443 4.782 4.340 -0.000 0.000 0.215 122 L C 2.902 179.746 176.870 -0.044 0.000 1.108 122 L CA 1.132 55.855 54.840 -0.195 0.000 0.830 122 L CB -0.420 41.461 42.059 -0.298 0.000 0.959 122 L HN 0.194 nan 8.230 nan 0.000 0.457 123 A N 0.256 123.080 122.820 0.006 0.000 1.927 123 A HA -0.239 4.080 4.320 -0.000 0.000 0.220 123 A C 1.563 179.149 177.584 0.004 0.000 1.185 123 A CA 2.053 54.110 52.037 0.034 0.000 0.639 123 A CB -0.768 18.261 19.000 0.049 0.000 0.820 123 A HN 0.650 nan 8.150 nan 0.000 0.451 124 D N -2.183 118.209 120.400 -0.013 0.000 2.463 124 D HA 0.103 4.743 4.640 -0.000 0.000 0.224 124 D C 0.701 176.990 176.300 -0.019 0.000 1.174 124 D CA -0.043 53.946 54.000 -0.019 0.000 0.829 124 D CB 0.104 40.891 40.800 -0.023 0.000 0.993 124 D HN 0.183 nan 8.370 nan 0.000 0.497 125 K N 0.123 120.511 120.400 -0.020 0.000 2.367 125 K HA 0.126 4.445 4.320 -0.000 0.000 0.194 125 K C -0.188 176.407 176.600 -0.008 0.000 1.027 125 K CA 0.116 56.390 56.287 -0.021 0.000 1.075 125 K CB 0.729 33.205 32.500 -0.039 0.000 0.845 125 K HN 0.161 nan 8.250 nan 0.000 0.529 126 D N -0.717 119.684 120.400 0.001 0.000 2.354 126 D HA 0.180 4.820 4.640 -0.000 0.000 0.230 126 D C 0.329 176.637 176.300 0.013 0.000 1.361 126 D CA -0.220 53.785 54.000 0.009 0.000 0.992 126 D CB 0.656 41.466 40.800 0.017 0.000 1.409 126 D HN 0.026 nan 8.370 nan 0.000 0.573 127 G N 1.351 110.156 108.800 0.008 0.000 3.088 127 G HA2 0.548 4.508 3.960 -0.000 0.000 0.217 127 G HA3 0.548 4.508 3.960 -0.000 0.000 0.217 127 G C 0.843 175.752 174.900 0.015 0.000 1.159 127 G CA 0.376 45.481 45.100 0.009 0.000 0.760 127 G HN 0.916 nan 8.290 nan 0.000 0.550 128 G N -0.660 108.149 108.800 0.015 0.000 2.270 128 G HA2 0.228 4.188 3.960 -0.000 0.000 0.268 128 G HA3 0.228 4.188 3.960 -0.000 0.000 0.268 128 G C -1.455 173.451 174.900 0.010 0.000 1.312 128 G CA -0.235 44.875 45.100 0.016 0.000 1.050 128 G HN 0.460 nan 8.290 nan 0.000 0.474 129 E N -0.830 119.375 120.200 0.010 0.000 2.356 129 E HA 0.627 4.977 4.350 -0.000 0.000 0.275 129 E C -0.613 175.991 176.600 0.007 0.000 0.904 129 E CA -1.013 55.389 56.400 0.003 0.000 0.757 129 E CB 1.290 30.986 29.700 -0.007 0.000 1.232 129 E HN 0.414 nan 8.360 nan 0.000 0.442 130 M N 3.520 123.123 119.600 0.005 0.000 2.209 130 M HA 0.379 4.859 4.480 -0.000 0.000 0.355 130 M C -0.462 175.839 176.300 0.001 0.000 1.171 130 M CA -0.690 54.617 55.300 0.010 0.000 1.069 130 M CB 0.754 33.359 32.600 0.010 0.000 1.622 130 M HN 0.492 nan 8.290 nan 0.000 0.459 131 I N 2.074 122.646 120.570 0.004 0.000 2.460 131 I HA 0.230 4.400 4.170 -0.000 0.000 0.298 131 I C 0.208 176.326 176.117 0.001 0.000 0.989 131 I CA -0.466 60.825 61.300 -0.014 0.000 1.173 131 I CB 1.494 39.465 38.000 -0.047 0.000 1.338 131 I HN 0.484 nan 8.210 nan 0.000 0.456 132 D N 3.937 124.333 120.400 -0.006 0.000 2.402 132 D HA 0.030 4.670 4.640 -0.000 0.000 0.235 132 D C 0.268 176.570 176.300 0.004 0.000 1.226 132 D CA 0.250 54.251 54.000 0.001 0.000 0.918 132 D CB 0.773 41.571 40.800 -0.003 0.000 1.043 132 D HN 0.372 nan 8.370 nan 0.000 0.506 133 S N 3.066 118.777 115.700 0.018 0.000 2.549 133 S HA 0.125 4.595 4.470 -0.000 0.000 0.283 133 S C -1.072 173.540 174.600 0.020 0.000 1.320 133 S CA -1.054 57.163 58.200 0.029 0.000 1.058 133 S CB 0.938 64.166 63.200 0.047 0.000 0.882 133 S HN 0.320 nan 8.310 nan 0.000 0.498 134 P HA 0.216 nan 4.420 nan 0.000 0.249 134 P C -0.306 177.004 177.300 0.017 0.000 1.229 134 P CA 0.331 63.439 63.100 0.014 0.000 0.788 134 P CB -0.035 31.671 31.700 0.011 0.000 1.072 135 I N 2.058 122.641 120.570 0.023 0.000 2.312 135 I HA 0.289 4.458 4.170 -0.000 0.000 0.290 135 I C -2.339 173.789 176.117 0.018 0.000 1.008 135 I CA -2.909 58.404 61.300 0.021 0.000 1.226 135 I CB 1.260 39.275 38.000 0.024 0.000 1.371 135 I HN -0.279 nan 8.210 nan 0.000 0.468 136 P HA 0.005 nan 4.420 nan 0.000 0.267 136 P C -0.530 176.778 177.300 0.013 0.000 1.200 136 P CA 0.226 63.334 63.100 0.013 0.000 0.772 136 P CB 0.288 31.995 31.700 0.011 0.000 0.855 137 D N -0.754 119.653 120.400 0.011 0.000 2.699 137 D HA -0.120 4.519 4.640 -0.000 0.000 0.239 137 D C -0.245 176.062 176.300 0.011 0.000 1.136 137 D CA 1.470 55.476 54.000 0.010 0.000 0.668 137 D CB -1.669 39.136 40.800 0.009 0.000 1.060 137 D HN 0.553 nan 8.370 nan 0.000 0.429 138 T N -2.972 111.590 114.554 0.014 0.000 2.903 138 T HA 0.594 4.944 4.350 -0.000 0.000 0.299 138 T C -0.589 174.124 174.700 0.022 0.000 1.093 138 T CA -0.997 61.113 62.100 0.016 0.000 1.002 138 T CB 3.366 72.247 68.868 0.022 0.000 1.127 138 T HN 0.095 nan 8.240 nan 0.000 0.488 139 E N 0.897 121.110 120.200 0.022 0.000 2.171 139 E HA 0.516 4.866 4.350 -0.000 0.000 0.271 139 E C -1.277 175.355 176.600 0.053 0.000 0.916 139 E CA -0.680 55.738 56.400 0.030 0.000 0.774 139 E CB 1.630 31.342 29.700 0.019 0.000 1.128 139 E HN 0.666 nan 8.360 nan 0.000 0.403 140 S N 4.368 120.119 115.700 0.086 0.000 2.561 140 S HA 0.475 4.945 4.470 -0.000 0.000 0.303 140 S C -1.275 173.406 174.600 0.135 0.000 1.110 140 S CA -0.801 57.505 58.200 0.177 0.000 1.034 140 S CB 0.503 63.845 63.200 0.236 0.000 1.010 140 S HN 0.516 nan 8.310 nan 0.000 0.482 141 K N 3.510 124.016 120.400 0.177 0.000 2.477 141 K HA 0.615 4.935 4.320 -0.000 0.000 0.255 141 K C -1.448 175.242 176.600 0.150 0.000 0.952 141 K CA -1.080 55.275 56.287 0.113 0.000 0.826 141 K CB 1.116 33.656 32.500 0.067 0.000 1.331 141 K HN 0.384 nan 8.250 nan 0.000 0.437 142 I N 2.504 123.118 120.570 0.073 0.000 2.355 142 I HA 0.274 4.443 4.170 -0.000 0.000 0.288 142 I C -0.452 175.692 176.117 0.046 0.000 0.999 142 I CA -1.045 60.291 61.300 0.061 0.000 1.163 142 I CB 1.299 39.305 38.000 0.011 0.000 1.316 142 I HN 0.439 nan 8.210 nan 0.000 0.454 143 V N 6.841 126.786 119.914 0.051 0.000 2.483 143 V HA 0.410 4.530 4.120 -0.000 0.000 0.295 143 V C 0.295 176.413 176.094 0.040 0.000 1.035 143 V CA -0.911 61.412 62.300 0.038 0.000 0.896 143 V CB 1.929 33.773 31.823 0.035 0.000 0.986 143 V HN 0.509 nan 8.190 nan 0.000 0.447 144 K N 4.337 124.758 120.400 0.035 0.000 2.211 144 K HA 0.561 4.881 4.320 -0.000 0.000 0.275 144 K C -0.353 176.277 176.600 0.050 0.000 1.024 144 K CA -0.222 56.091 56.287 0.043 0.000 0.887 144 K CB 1.689 34.214 32.500 0.041 0.000 1.084 144 K HN 0.711 nan 8.250 nan 0.000 0.463 145 E N 3.067 123.307 120.200 0.066 0.000 2.244 145 E HA 0.348 4.698 4.350 -0.000 0.000 0.266 145 E C -2.412 174.263 176.600 0.126 0.000 0.914 145 E CA -2.287 54.168 56.400 0.091 0.000 0.794 145 E CB 1.732 31.495 29.700 0.106 0.000 1.210 145 E HN 0.258 nan 8.360 nan 0.000 0.414 146 P HA -0.098 nan 4.420 nan 0.000 0.266 146 P C 0.803 178.211 177.300 0.181 0.000 1.195 146 P CA 0.203 63.439 63.100 0.227 0.000 0.768 146 P CB 0.908 32.826 31.700 0.362 0.000 0.838 147 V N 2.335 122.306 119.914 0.095 0.000 2.490 147 V HA -0.033 4.087 4.120 -0.000 0.000 0.250 147 V C 1.250 177.257 176.094 -0.145 0.000 1.061 147 V CA 2.864 65.160 62.300 -0.008 0.000 1.064 147 V CB -1.085 30.713 31.823 -0.042 0.000 0.670 147 V HN 1.057 nan 8.190 nan 0.000 0.461 148 G N -1.333 107.290 108.800 -0.295 0.000 2.178 148 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.147 148 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.147 148 G C -0.642 173.888 174.900 -0.618 0.000 1.245 148 G CA -0.158 44.377 45.100 -0.941 0.000 1.275 148 G HN 0.458 nan 8.290 nan 0.000 0.491 149 V N 1.768 121.423 119.914 -0.432 0.000 2.432 149 V HA 0.564 4.684 4.120 -0.000 0.000 0.275 149 V C 0.720 176.773 176.094 -0.068 0.000 1.043 149 V CA 0.159 62.358 62.300 -0.169 0.000 0.925 149 V CB 0.774 32.526 31.823 -0.118 0.000 0.985 149 V HN 1.540 nan 8.190 nan 0.000 0.466 150 V N 2.292 122.216 119.914 0.017 0.000 2.604 150 V HA 0.900 5.019 4.120 -0.000 0.000 0.305 150 V C -0.110 176.031 176.094 0.078 0.000 1.043 150 V CA -0.410 61.930 62.300 0.067 0.000 0.888 150 V CB 1.913 33.853 31.823 0.196 0.000 0.995 150 V HN 0.887 nan 8.190 nan 0.000 0.429 151 T N 2.214 116.811 114.554 0.071 0.000 2.855 151 T HA 0.768 5.118 4.350 -0.000 0.000 0.281 151 T C -0.622 174.146 174.700 0.114 0.000 1.007 151 T CA -0.595 61.553 62.100 0.079 0.000 1.009 151 T CB 1.643 70.545 68.868 0.057 0.000 0.983 151 T HN 0.893 nan 8.240 nan 0.000 0.455 152 Q N 1.927 121.800 119.800 0.123 0.000 2.285 152 Q HA 0.606 4.945 4.340 -0.000 0.000 0.269 152 Q C -1.199 174.879 176.000 0.130 0.000 1.030 152 Q CA -0.604 55.284 55.803 0.141 0.000 0.788 152 Q CB 2.673 31.499 28.738 0.146 0.000 1.266 152 Q HN 0.694 nan 8.270 nan 0.000 0.438 153 I N 2.132 122.791 120.570 0.150 0.000 2.447 153 I HA 0.427 4.597 4.170 -0.000 0.000 0.287 153 I C -0.212 175.921 176.117 0.027 0.000 1.023 153 I CA -0.598 60.797 61.300 0.158 0.000 1.083 153 I CB 2.125 40.328 38.000 0.340 0.000 1.245 153 I HN 0.631 nan 8.210 nan 0.000 0.434 154 T N 3.540 118.086 114.554 -0.014 0.000 2.930 154 T HA 0.732 5.082 4.350 -0.000 0.000 0.290 154 T C -2.829 171.790 174.700 -0.135 0.000 1.052 154 T CA -2.015 60.013 62.100 -0.119 0.000 1.017 154 T CB 2.382 71.210 68.868 -0.066 0.000 1.137 154 T HN 0.249 nan 8.240 nan 0.000 0.511 155 P HA 0.357 nan 4.420 nan 0.000 0.307 155 P C 0.552 177.756 177.300 -0.160 0.000 1.307 155 P CA -0.961 61.969 63.100 -0.283 0.000 0.814 155 P CB 1.204 32.593 31.700 -0.519 0.000 1.311 156 W N 0.637 121.922 121.300 -0.026 0.000 3.139 156 W HA 0.029 4.689 4.660 -0.000 0.000 0.260 156 W C 0.703 177.230 176.519 0.013 0.000 1.312 156 W CA 0.248 57.587 57.345 -0.010 0.000 1.606 156 W CB -1.458 27.988 29.460 -0.023 0.000 1.118 156 W HN 0.222 nan 8.180 nan 0.000 0.675 157 N N 1.554 120.213 118.700 -0.068 0.000 2.251 157 N HA -0.159 4.581 4.740 -0.000 0.000 0.181 157 N C -0.230 175.253 175.510 -0.046 0.000 1.019 157 N CA 0.885 54.000 53.050 0.109 0.000 0.862 157 N CB -1.138 37.303 38.487 -0.078 0.000 0.992 157 N HN 0.128 nan 8.380 nan 0.000 0.429 158 Y N 0.076 120.350 120.300 -0.043 0.000 2.584 158 Y HA 0.447 4.997 4.550 -0.000 0.000 0.358 158 Y C -1.840 173.971 175.900 -0.148 0.000 1.028 158 Y CA -2.232 55.803 58.100 -0.107 0.000 1.148 158 Y CB 1.839 40.172 38.460 -0.212 0.000 1.126 158 Y HN -0.006 nan 8.280 nan 0.000 0.658 159 P HA -0.218 nan 4.420 nan 0.000 0.214 159 P C 1.829 179.129 177.300 -0.001 0.000 1.163 159 P CA 1.143 64.248 63.100 0.007 0.000 0.883 159 P CB 0.533 32.257 31.700 0.041 0.000 0.788 160 L N -1.412 119.824 121.223 0.022 0.000 2.156 160 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 160 L C 2.192 179.070 176.870 0.014 0.000 1.095 160 L CA 1.383 56.256 54.840 0.054 0.000 0.770 160 L CB -1.552 40.560 42.059 0.088 0.000 0.914 160 L HN -0.163 nan 8.230 nan 0.000 0.439 161 L N -0.445 120.751 121.223 -0.045 0.000 1.994 161 L HA -0.255 4.084 4.340 -0.000 0.000 0.208 161 L C 2.466 179.014 176.870 -0.537 0.000 1.071 161 L CA 1.905 56.626 54.840 -0.199 0.000 0.745 161 L CB -0.655 41.274 42.059 -0.217 0.000 0.892 161 L HN 0.376 nan 8.230 nan 0.000 0.431 162 Q N -0.797 118.679 119.800 -0.541 0.000 2.170 162 Q HA -0.144 4.196 4.340 -0.000 0.000 0.203 162 Q C 2.223 178.083 176.000 -0.234 0.000 0.976 162 Q CA 1.546 57.006 55.803 -0.572 0.000 0.858 162 Q CB -0.349 28.140 28.738 -0.414 0.000 0.907 162 Q HN 0.712 nan 8.270 nan 0.000 0.433 163 A N 0.720 123.475 122.820 -0.109 0.000 1.898 163 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 163 A C 2.235 179.824 177.584 0.009 0.000 1.181 163 A CA 1.701 53.743 52.037 0.009 0.000 0.620 163 A CB -0.741 18.311 19.000 0.086 0.000 0.819 163 A HN 0.461 nan 8.150 nan 0.000 0.442 164 S N -1.534 114.160 115.700 -0.010 0.000 2.382 164 S HA -0.206 4.264 4.470 -0.000 0.000 0.228 164 S C 1.700 176.237 174.600 -0.105 0.000 1.027 164 S CA 1.317 59.423 58.200 -0.157 0.000 0.991 164 S CB -0.733 62.408 63.200 -0.098 0.000 0.823 164 S HN 0.630 nan 8.310 nan 0.000 0.469 165 W N 2.539 123.721 121.300 -0.197 0.000 2.392 165 W HA 0.165 4.825 4.660 -0.000 0.000 0.279 165 W C 2.347 178.743 176.519 -0.205 0.000 1.225 165 W CA 0.468 57.722 57.345 -0.153 0.000 1.233 165 W CB -0.383 29.018 29.460 -0.097 0.000 1.122 165 W HN 0.454 nan 8.180 nan 0.000 0.561 166 K N -0.927 119.497 120.400 0.040 0.000 2.214 166 K HA 0.091 4.411 4.320 -0.000 0.000 0.201 166 K C 1.926 178.365 176.600 -0.267 0.000 1.049 166 K CA 0.700 56.965 56.287 -0.035 0.000 0.978 166 K CB -0.424 32.137 32.500 0.100 0.000 0.842 166 K HN 0.013 nan 8.250 nan 0.000 0.474 167 I N 1.809 122.270 120.570 -0.181 0.000 2.179 167 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 167 I C 2.573 178.530 176.117 -0.267 0.000 1.088 167 I CA 1.166 62.360 61.300 -0.177 0.000 1.357 167 I CB -0.379 37.611 38.000 -0.017 0.000 1.051 167 I HN 0.138 nan 8.210 nan 0.000 0.409 168 A N 1.627 124.198 122.820 -0.416 0.000 1.865 168 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 168 A C 0.087 177.392 177.584 -0.464 0.000 1.191 168 A CA 1.974 53.789 52.037 -0.371 0.000 0.623 168 A CB -2.052 16.659 19.000 -0.481 0.000 0.826 168 A HN 0.294 nan 8.150 nan 0.000 0.444 169 P HA -0.050 nan 4.420 nan 0.000 0.219 169 P C 1.603 178.523 177.300 -0.633 0.000 1.150 169 P CA 1.755 64.331 63.100 -0.873 0.000 0.814 169 P CB -0.168 30.898 31.700 -1.056 0.000 0.787 170 A N 0.566 122.834 122.820 -0.919 0.000 1.883 170 A HA -0.156 4.163 4.320 -0.000 0.000 0.217 170 A C 2.423 179.967 177.584 -0.065 0.000 1.186 170 A CA 1.567 53.282 52.037 -0.537 0.000 0.624 170 A CB -1.648 17.102 19.000 -0.417 0.000 0.822 170 A HN 0.121 nan 8.150 nan 0.000 0.444 171 L N -1.008 120.201 121.223 -0.023 0.000 2.093 171 L HA -0.142 4.197 4.340 -0.000 0.000 0.208 171 L C 3.100 180.216 176.870 0.410 0.000 1.085 171 L CA 0.904 55.911 54.840 0.280 0.000 0.755 171 L CB -0.575 41.549 42.059 0.109 0.000 0.904 171 L HN 0.447 nan 8.230 nan 0.000 0.435 172 A N 0.261 123.194 122.820 0.188 0.000 1.940 172 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 172 A C 2.364 180.003 177.584 0.091 0.000 1.176 172 A CA 2.339 54.474 52.037 0.164 0.000 0.631 172 A CB -0.882 18.205 19.000 0.145 0.000 0.814 172 A HN 0.526 nan 8.150 nan 0.000 0.446 173 T N -4.891 109.714 114.554 0.086 0.000 3.081 173 T HA 0.397 4.746 4.350 -0.000 0.000 0.255 173 T C 1.343 176.084 174.700 0.068 0.000 1.113 173 T CA 1.169 63.317 62.100 0.081 0.000 1.082 173 T CB 0.207 69.156 68.868 0.135 0.000 0.939 173 T HN 1.720 nan 8.240 nan 0.000 0.506 174 G N 0.199 109.061 108.800 0.103 0.000 2.148 174 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.203 174 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.203 174 G C 0.222 175.370 174.900 0.413 0.000 0.993 174 G CA -0.390 44.732 45.100 0.037 0.000 0.661 174 G HN 0.703 nan 8.290 nan 0.000 0.518 175 C N 0.907 120.461 119.300 0.422 0.000 2.649 175 C HA 0.687 5.147 4.460 -0.000 0.000 0.377 175 C C 1.324 176.570 174.990 0.427 0.000 1.321 175 C CA 0.147 59.414 59.018 0.416 0.000 2.368 175 C CB 1.155 29.059 27.740 0.273 0.000 2.597 175 C HN 0.560 nan 8.230 nan 0.000 0.678 176 S N 0.793 116.693 115.700 0.334 0.000 2.549 176 S HA 0.788 5.258 4.470 -0.000 0.000 0.297 176 S C -0.643 174.025 174.600 0.114 0.000 1.115 176 S CA -0.526 57.802 58.200 0.213 0.000 1.059 176 S CB 1.138 64.475 63.200 0.229 0.000 1.046 176 S HN 0.569 nan 8.310 nan 0.000 0.506 177 L N 0.193 121.459 121.223 0.073 0.000 2.393 177 L HA 0.953 5.293 4.340 -0.000 0.000 0.260 177 L C -1.302 175.617 176.870 0.082 0.000 1.002 177 L CA -0.891 53.995 54.840 0.077 0.000 0.818 177 L CB 1.471 43.571 42.059 0.069 0.000 1.369 177 L HN 0.336 nan 8.230 nan 0.000 0.412 178 V N 2.547 122.508 119.914 0.077 0.000 2.443 178 V HA 0.658 4.778 4.120 -0.000 0.000 0.293 178 V C -0.348 175.793 176.094 0.078 0.000 1.021 178 V CA -0.218 62.117 62.300 0.059 0.000 0.848 178 V CB 1.465 33.294 31.823 0.009 0.000 0.998 178 V HN 0.956 nan 8.190 nan 0.000 0.424 179 M N 5.244 124.895 119.600 0.084 0.000 2.364 179 M HA 0.585 5.065 4.480 -0.000 0.000 0.334 179 M C -0.904 175.402 176.300 0.011 0.000 1.107 179 M CA -0.155 55.202 55.300 0.096 0.000 0.988 179 M CB 1.486 34.229 32.600 0.238 0.000 1.673 179 M HN 0.553 nan 8.290 nan 0.000 0.441 180 K N 6.981 127.407 120.400 0.044 0.000 2.604 180 K HA 0.560 4.880 4.320 -0.000 0.000 0.247 180 K C -2.981 173.653 176.600 0.057 0.000 0.956 180 K CA -1.640 54.665 56.287 0.031 0.000 0.896 180 K CB 1.777 34.304 32.500 0.045 0.000 1.131 180 K HN 0.452 nan 8.250 nan 0.000 0.440 181 P HA 0.020 nan 4.420 nan 0.000 0.277 181 P C -0.332 177.017 177.300 0.080 0.000 1.271 181 P CA -0.421 62.719 63.100 0.066 0.000 0.795 181 P CB 0.849 32.593 31.700 0.073 0.000 1.101 182 S N 0.361 116.118 115.700 0.094 0.000 2.558 182 S HA -0.046 4.424 4.470 -0.000 0.000 0.293 182 S C 1.605 176.278 174.600 0.121 0.000 1.292 182 S CA -0.272 58.010 58.200 0.137 0.000 1.063 182 S CB -0.204 63.126 63.200 0.217 0.000 0.831 182 S HN 0.492 nan 8.310 nan 0.000 0.499 183 E N 5.138 125.403 120.200 0.109 0.000 2.204 183 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 183 E C 1.641 178.288 176.600 0.078 0.000 0.990 183 E CA 1.485 57.934 56.400 0.083 0.000 0.821 183 E CB -0.581 29.158 29.700 0.065 0.000 0.750 183 E HN 0.936 nan 8.360 nan 0.000 0.477 184 I N -0.283 120.337 120.570 0.082 0.000 3.728 184 I HA 0.153 4.322 4.170 -0.000 0.000 0.307 184 I C 0.610 176.769 176.117 0.070 0.000 1.276 184 I CA 0.696 62.027 61.300 0.051 0.000 1.285 184 I CB 0.074 38.063 38.000 -0.017 0.000 1.038 184 I HN -0.031 nan 8.210 nan 0.000 0.445 185 T N -1.503 113.114 114.554 0.106 0.000 3.734 185 T HA 0.419 4.769 4.350 -0.000 0.000 0.238 185 T C -2.120 172.636 174.700 0.093 0.000 1.205 185 T CA -0.992 61.169 62.100 0.101 0.000 1.606 185 T CB 0.761 69.714 68.868 0.141 0.000 0.832 185 T HN 0.078 nan 8.240 nan 0.000 0.655 186 P HA 0.275 nan 4.420 nan 0.000 0.261 186 P C 1.522 178.872 177.300 0.084 0.000 1.268 186 P CA -0.265 62.892 63.100 0.095 0.000 0.833 186 P CB 0.334 32.102 31.700 0.112 0.000 1.231 187 L N 0.587 121.837 121.223 0.045 0.000 1.976 187 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 187 L C 2.683 179.552 176.870 -0.000 0.000 1.071 187 L CA 2.650 57.477 54.840 -0.022 0.000 0.746 187 L CB -2.120 39.879 42.059 -0.100 0.000 0.890 187 L HN 0.089 nan 8.230 nan 0.000 0.432 188 T N -4.516 110.050 114.554 0.019 0.000 2.915 188 T HA -0.129 4.221 4.350 -0.000 0.000 0.269 188 T C 1.727 176.486 174.700 0.099 0.000 1.071 188 T CA 1.570 63.695 62.100 0.041 0.000 1.132 188 T CB -0.590 68.301 68.868 0.038 0.000 0.878 188 T HN 0.232 nan 8.240 nan 0.000 0.479 189 T N 2.009 116.640 114.554 0.127 0.000 2.812 189 T HA 0.204 4.553 4.350 -0.000 0.000 0.264 189 T C 1.906 176.781 174.700 0.291 0.000 1.042 189 T CA 0.884 63.112 62.100 0.213 0.000 1.140 189 T CB -0.358 68.618 68.868 0.180 0.000 0.870 189 T HN 0.381 nan 8.240 nan 0.000 0.445 190 I N 0.898 121.594 120.570 0.211 0.000 2.226 190 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 190 I C 2.797 179.070 176.117 0.261 0.000 1.100 190 I CA 1.143 62.606 61.300 0.272 0.000 1.374 190 I CB -0.258 37.858 38.000 0.193 0.000 1.057 190 I HN 0.065 nan 8.210 nan 0.000 0.413 191 R N 0.869 121.444 120.500 0.125 0.000 2.073 191 R HA -0.143 4.196 4.340 -0.000 0.000 0.234 191 R C 2.193 178.541 176.300 0.079 0.000 1.134 191 R CA 1.586 57.717 56.100 0.053 0.000 0.952 191 R CB -0.993 29.300 30.300 -0.011 0.000 0.850 191 R HN 0.244 nan 8.270 nan 0.000 0.433 192 V N -0.046 119.937 119.914 0.115 0.000 2.626 192 V HA -0.146 3.974 4.120 -0.000 0.000 0.252 192 V C 1.629 177.717 176.094 -0.011 0.000 1.067 192 V CA 1.614 63.941 62.300 0.045 0.000 1.081 192 V CB -0.450 31.408 31.823 0.058 0.000 0.686 192 V HN 0.311 nan 8.190 nan 0.000 0.468 193 F N 0.842 120.816 119.950 0.040 0.000 2.146 193 F HA -0.079 4.448 4.527 0.000 0.000 0.298 193 F C 2.398 178.207 175.800 0.014 0.000 1.096 193 F CA 2.019 60.001 58.000 -0.030 0.000 1.275 193 F CB -0.297 38.672 39.000 -0.051 0.000 1.008 193 F HN 0.237 nan 8.300 nan 0.000 0.480 194 E N 0.155 120.554 120.200 0.332 0.000 2.085 194 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 194 E C 2.261 178.897 176.600 0.061 0.000 0.994 194 E CA 1.330 57.871 56.400 0.235 0.000 0.801 194 E CB -0.348 29.390 29.700 0.065 0.000 0.743 194 E HN 0.410 nan 8.360 nan 0.000 0.453 195 L N 0.116 121.336 121.223 -0.005 0.000 2.109 195 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 195 L C 2.554 179.404 176.870 -0.033 0.000 1.086 195 L CA 0.837 55.655 54.840 -0.036 0.000 0.760 195 L CB -0.299 41.726 42.059 -0.056 0.000 0.910 195 L HN 0.206 nan 8.230 nan 0.000 0.437 196 M N -0.541 119.007 119.600 -0.085 0.000 2.175 196 M HA -0.217 4.263 4.480 -0.000 0.000 0.264 196 M C 2.239 178.584 176.300 0.074 0.000 1.063 196 M CA 1.627 56.906 55.300 -0.035 0.000 1.119 196 M CB -0.439 31.981 32.600 -0.300 0.000 1.377 196 M HN 0.255 nan 8.290 nan 0.000 0.415 197 E N 1.056 121.242 120.200 -0.023 0.000 2.085 197 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 197 E C 1.642 178.274 176.600 0.053 0.000 0.994 197 E CA 1.492 57.904 56.400 0.020 0.000 0.801 197 E CB 0.042 29.731 29.700 -0.018 0.000 0.743 197 E HN 0.539 nan 8.360 nan 0.000 0.453 198 E N -0.072 120.151 120.200 0.038 0.000 2.085 198 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 198 E C 2.218 178.807 176.600 -0.018 0.000 0.994 198 E CA 1.393 57.806 56.400 0.021 0.000 0.801 198 E CB 0.057 29.771 29.700 0.022 0.000 0.743 198 E HN 0.171 nan 8.360 nan 0.000 0.453 199 V N 0.110 120.004 119.914 -0.034 0.000 2.343 199 V HA -0.108 4.012 4.120 -0.000 0.000 0.247 199 V C 1.070 176.998 176.094 -0.275 0.000 1.051 199 V CA 1.380 63.604 62.300 -0.126 0.000 1.036 199 V CB -0.789 30.979 31.823 -0.092 0.000 0.654 199 V HN 0.525 nan 8.190 nan 0.000 0.451 200 G N -0.394 108.228 108.800 -0.296 0.000 3.445 200 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.686 200 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.686 200 G C -0.989 173.493 174.900 -0.698 0.000 1.113 200 G CA -0.726 44.189 45.100 -0.308 0.000 0.974 200 G HN 0.188 nan 8.290 nan 0.000 0.492 201 F N 2.011 121.879 119.950 -0.136 0.000 2.599 201 F HA 0.697 5.223 4.527 -0.001 0.000 0.311 201 F C -1.850 173.882 175.800 -0.113 0.000 1.076 201 F CA -2.098 55.755 58.000 -0.244 0.000 0.937 201 F CB 2.055 40.797 39.000 -0.430 0.000 1.282 201 F HN 0.335 nan 8.300 nan 0.000 0.460 202 P HA 0.045 nan 4.420 nan 0.000 0.267 202 P C -0.813 176.539 177.300 0.085 0.000 1.200 202 P CA -0.446 62.714 63.100 0.100 0.000 0.772 202 P CB 0.532 32.320 31.700 0.147 0.000 0.855 203 K N 1.643 122.081 120.400 0.063 0.000 2.491 203 K HA 0.132 4.452 4.320 -0.000 0.000 0.279 203 K C 1.220 177.833 176.600 0.021 0.000 1.026 203 K CA 1.243 57.547 56.287 0.029 0.000 1.070 203 K CB -0.639 31.867 32.500 0.009 0.000 0.887 203 K HN 0.768 nan 8.250 nan 0.000 0.481 204 G N 2.608 111.403 108.800 -0.008 0.000 2.241 204 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.244 204 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.244 204 G C 0.981 175.900 174.900 0.032 0.000 0.998 204 G CA 0.511 45.610 45.100 -0.001 0.000 0.621 204 G HN 0.673 nan 8.290 nan 0.000 0.519 205 T N 0.814 115.386 114.554 0.031 0.000 2.746 205 T HA 0.155 4.505 4.350 -0.000 0.000 0.267 205 T C 1.356 176.022 174.700 -0.057 0.000 1.039 205 T CA 1.511 63.604 62.100 -0.012 0.000 1.142 205 T CB -0.174 68.604 68.868 -0.151 0.000 0.866 205 T HN 1.171 nan 8.240 nan 0.000 0.444 206 I N -0.851 119.700 120.570 -0.033 0.000 2.509 206 I HA 0.612 4.782 4.170 -0.000 0.000 0.293 206 I C -1.322 174.960 176.117 0.274 0.000 1.020 206 I CA -1.075 60.260 61.300 0.059 0.000 1.088 206 I CB 2.058 39.962 38.000 -0.159 0.000 1.267 206 I HN -0.140 nan 8.210 nan 0.000 0.430 207 N N 5.368 124.257 118.700 0.314 0.000 2.264 207 N HA 0.510 5.250 4.740 -0.000 0.000 0.288 207 N C -1.897 173.567 175.510 -0.078 0.000 1.094 207 N CA -0.556 52.572 53.050 0.130 0.000 0.817 207 N CB 3.201 41.679 38.487 -0.014 0.000 1.604 207 N HN 0.552 nan 8.380 nan 0.000 0.473 208 L N 2.698 123.682 121.223 -0.399 0.000 2.349 208 L HA 0.587 4.926 4.340 -0.000 0.000 0.278 208 L C -1.339 175.359 176.870 -0.285 0.000 0.996 208 L CA -0.542 53.904 54.840 -0.657 0.000 0.825 208 L CB 0.885 42.217 42.059 -1.211 0.000 1.243 208 L HN 0.426 nan 8.230 nan 0.000 0.412 209 I N 6.094 126.558 120.570 -0.176 0.000 2.412 209 I HA 0.417 4.587 4.170 -0.000 0.000 0.296 209 I C -0.424 175.665 176.117 -0.047 0.000 0.987 209 I CA -0.514 60.737 61.300 -0.082 0.000 1.180 209 I CB 1.695 39.667 38.000 -0.046 0.000 1.340 209 I HN 0.558 nan 8.210 nan 0.000 0.455 210 L N 4.979 126.196 121.223 -0.010 0.000 2.341 210 L HA 0.919 5.259 4.340 -0.000 0.000 0.278 210 L C 0.256 177.142 176.870 0.027 0.000 1.005 210 L CA -0.340 54.512 54.840 0.021 0.000 0.818 210 L CB 1.995 44.082 42.059 0.047 0.000 1.259 210 L HN 0.825 nan 8.230 nan 0.000 0.418 211 G N 1.318 110.140 108.800 0.036 0.000 2.352 211 G HA2 0.407 4.367 3.960 -0.000 0.000 0.302 211 G HA3 0.407 4.367 3.960 -0.000 0.000 0.302 211 G C -1.536 173.389 174.900 0.041 0.000 1.370 211 G CA -0.314 44.807 45.100 0.034 0.000 0.918 211 G HN 0.753 nan 8.290 nan 0.000 0.610 212 A N -0.287 122.554 122.820 0.035 0.000 2.477 212 A HA 0.576 4.895 4.320 -0.000 0.000 0.246 212 A C 1.813 179.420 177.584 0.037 0.000 1.078 212 A CA 1.338 53.397 52.037 0.037 0.000 0.770 212 A CB 0.448 19.462 19.000 0.024 0.000 1.011 212 A HN 2.301 nan 8.150 nan 0.000 0.494 213 G N 1.037 109.865 108.800 0.046 0.000 2.442 213 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 213 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 213 G C 1.714 176.618 174.900 0.006 0.000 1.141 213 G CA 1.411 46.535 45.100 0.040 0.000 0.763 213 G HN 1.247 nan 8.290 nan 0.000 0.554 214 S N -0.195 115.501 115.700 -0.007 0.000 2.469 214 S HA -0.030 4.440 4.470 -0.000 0.000 0.238 214 S C 1.897 176.494 174.600 -0.005 0.000 0.998 214 S CA 1.592 59.777 58.200 -0.026 0.000 0.957 214 S CB 0.041 63.225 63.200 -0.027 0.000 0.764 214 S HN 0.627 nan 8.310 nan 0.000 0.514 215 E N 0.715 120.920 120.200 0.008 0.000 2.162 215 E HA 0.009 4.359 4.350 -0.000 0.000 0.193 215 E C 1.748 178.360 176.600 0.020 0.000 0.953 215 E CA 0.944 57.353 56.400 0.014 0.000 0.849 215 E CB 0.410 30.118 29.700 0.014 0.000 0.810 215 E HN 0.508 nan 8.360 nan 0.000 0.470 216 V N -2.866 117.063 119.914 0.024 0.000 3.605 216 V HA 0.424 4.544 4.120 -0.000 0.000 0.284 216 V C 1.833 177.949 176.094 0.037 0.000 1.386 216 V CA 0.635 62.952 62.300 0.028 0.000 1.053 216 V CB 0.366 32.203 31.823 0.023 0.000 0.857 216 V HN 0.212 nan 8.190 nan 0.000 0.436 217 G N 0.721 109.544 108.800 0.037 0.000 2.418 217 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 217 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 217 G C 1.103 176.035 174.900 0.054 0.000 1.158 217 G CA 1.186 46.313 45.100 0.044 0.000 0.771 217 G HN 0.499 nan 8.290 nan 0.000 0.545 218 D N 0.143 120.581 120.400 0.065 0.000 2.178 218 D HA -0.068 4.572 4.640 -0.000 0.000 0.201 218 D C 2.732 179.069 176.300 0.061 0.000 0.980 218 D CA 0.444 54.490 54.000 0.078 0.000 0.842 218 D CB -0.221 40.635 40.800 0.093 0.000 0.948 218 D HN 0.208 nan 8.370 nan 0.000 0.472 219 V N 0.780 120.732 119.914 0.064 0.000 2.358 219 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 219 V C 2.456 178.604 176.094 0.090 0.000 1.047 219 V CA 1.305 63.658 62.300 0.087 0.000 1.035 219 V CB -0.357 31.514 31.823 0.079 0.000 0.658 219 V HN 0.217 nan 8.190 nan 0.000 0.452 220 M N 0.563 120.199 119.600 0.060 0.000 2.229 220 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 220 M C 2.272 178.606 176.300 0.055 0.000 1.063 220 M CA 2.046 57.377 55.300 0.052 0.000 1.114 220 M CB -0.415 32.215 32.600 0.050 0.000 1.387 220 M HN 0.581 nan 8.290 nan 0.000 0.420 221 S N -1.094 114.634 115.700 0.047 0.000 2.470 221 S HA 0.094 4.564 4.470 -0.000 0.000 0.222 221 S C 1.736 176.348 174.600 0.019 0.000 1.024 221 S CA 0.586 58.801 58.200 0.024 0.000 0.931 221 S CB -0.259 62.940 63.200 -0.002 0.000 0.791 221 S HN 0.477 nan 8.310 nan 0.000 0.513 222 G N -0.177 108.643 108.800 0.034 0.000 3.159 222 G HA2 0.206 4.166 3.960 -0.000 0.000 0.232 222 G HA3 0.206 4.166 3.960 -0.000 0.000 0.232 222 G C 0.072 174.986 174.900 0.023 0.000 1.116 222 G CA -0.466 44.641 45.100 0.012 0.000 0.767 222 G HN 0.603 nan 8.290 nan 0.000 0.547 223 H N 0.993 120.055 119.070 -0.013 0.000 2.732 223 H HA 0.239 4.795 4.556 -0.000 0.000 0.351 223 H C 2.004 177.323 175.328 -0.016 0.000 1.090 223 H CA 0.168 56.209 56.048 -0.011 0.000 1.431 223 H CB 1.167 30.925 29.762 -0.006 0.000 1.447 223 H HN 0.157 nan 8.280 nan 0.000 0.582 224 K N 2.832 123.092 120.400 -0.233 0.000 2.283 224 K HA -0.084 4.235 4.320 -0.000 0.000 0.202 224 K C 0.430 177.080 176.600 0.084 0.000 1.048 224 K CA 1.288 57.536 56.287 -0.066 0.000 0.948 224 K CB 0.343 32.767 32.500 -0.126 0.000 0.742 224 K HN 0.517 nan 8.250 nan 0.000 0.458 225 E N 1.328 121.719 120.200 0.318 0.000 2.465 225 E HA 0.072 4.422 4.350 -0.000 0.000 0.191 225 E C -0.202 176.445 176.600 0.079 0.000 1.053 225 E CA 0.031 56.542 56.400 0.186 0.000 0.869 225 E CB 0.479 30.294 29.700 0.192 0.000 0.977 225 E HN 0.094 nan 8.360 nan 0.000 0.483 226 V N 2.090 122.055 119.914 0.085 0.000 2.509 226 V HA 0.067 4.187 4.120 -0.000 0.000 0.284 226 V C 1.044 177.126 176.094 -0.019 0.000 1.047 226 V CA -0.124 62.186 62.300 0.017 0.000 0.952 226 V CB 1.659 33.505 31.823 0.038 0.000 0.988 226 V HN 0.017 nan 8.190 nan 0.000 0.469 227 D N 2.447 122.812 120.400 -0.058 0.000 2.380 227 D HA 0.190 4.830 4.640 -0.000 0.000 0.212 227 D C -0.008 176.249 176.300 -0.072 0.000 1.021 227 D CA 0.569 54.523 54.000 -0.075 0.000 0.884 227 D CB 1.320 42.044 40.800 -0.126 0.000 1.001 227 D HN 0.327 nan 8.370 nan 0.000 0.506 228 L N 0.755 121.938 121.223 -0.067 0.000 2.482 228 L HA 0.351 4.691 4.340 -0.000 0.000 0.263 228 L C -1.701 175.147 176.870 -0.036 0.000 0.957 228 L CA -0.719 54.072 54.840 -0.082 0.000 0.836 228 L CB 2.423 44.380 42.059 -0.170 0.000 1.324 228 L HN -0.350 nan 8.230 nan 0.000 0.406 229 V N 3.212 123.114 119.914 -0.020 0.000 2.384 229 V HA 0.669 4.788 4.120 -0.000 0.000 0.287 229 V C -0.095 176.028 176.094 0.048 0.000 1.020 229 V CA -0.405 61.912 62.300 0.028 0.000 0.850 229 V CB 1.378 33.220 31.823 0.032 0.000 0.987 229 V HN 0.812 nan 8.190 nan 0.000 0.436 230 S N 5.369 121.128 115.700 0.097 0.000 2.498 230 S HA 0.761 5.231 4.470 -0.000 0.000 0.317 230 S C -1.234 173.494 174.600 0.212 0.000 1.090 230 S CA -0.426 57.851 58.200 0.129 0.000 1.089 230 S CB 0.610 63.891 63.200 0.135 0.000 0.997 230 S HN 0.584 nan 8.310 nan 0.000 0.470 231 F N 3.657 123.636 119.950 0.048 0.000 2.556 231 F HA 0.669 5.196 4.527 -0.000 0.000 0.314 231 F C -0.656 175.169 175.800 0.041 0.000 1.106 231 F CA -0.191 57.834 58.000 0.041 0.000 0.911 231 F CB 2.142 41.162 39.000 0.033 0.000 1.190 231 F HN 0.429 nan 8.300 nan 0.000 0.448 232 T N 4.481 118.485 114.554 -0.917 0.000 2.841 232 T HA 0.794 5.144 4.350 -0.000 0.000 0.285 232 T C -0.168 173.780 174.700 -1.252 0.000 0.991 232 T CA -0.194 61.443 62.100 -0.771 0.000 0.966 232 T CB 1.224 69.879 68.868 -0.355 0.000 0.962 232 T HN 1.122 nan 8.240 nan 0.000 0.438 233 G N 1.799 110.058 108.800 -0.903 0.000 2.441 233 G HA2 0.559 4.519 3.960 -0.000 0.000 0.225 233 G HA3 0.559 4.519 3.960 -0.000 0.000 0.225 233 G C -0.408 174.427 174.900 -0.107 0.000 1.200 233 G CA -0.145 44.631 45.100 -0.540 0.000 0.947 233 G HN 0.865 nan 8.290 nan 0.000 0.484 234 G N -0.884 107.981 108.800 0.108 0.000 2.477 234 G HA2 0.516 4.476 3.960 -0.000 0.000 0.304 234 G HA3 0.516 4.476 3.960 -0.000 0.000 0.304 234 G C 1.029 176.058 174.900 0.217 0.000 1.175 234 G CA 0.041 45.200 45.100 0.097 0.000 0.907 234 G HN 1.038 nan 8.290 nan 0.000 0.509 235 I N -0.384 120.291 120.570 0.176 0.000 2.286 235 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 235 I C 2.371 178.547 176.117 0.098 0.000 1.115 235 I CA 1.517 62.910 61.300 0.154 0.000 1.392 235 I CB -0.006 38.085 38.000 0.151 0.000 1.065 235 I HN 0.727 nan 8.210 nan 0.000 0.418 236 E N 0.095 120.348 120.200 0.087 0.000 2.031 236 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 236 E C 2.048 178.662 176.600 0.023 0.000 0.994 236 E CA 2.069 58.501 56.400 0.054 0.000 0.800 236 E CB -0.277 29.454 29.700 0.052 0.000 0.752 236 E HN 0.501 nan 8.360 nan 0.000 0.447 237 T N 0.354 114.912 114.554 0.006 0.000 2.777 237 T HA -0.111 4.238 4.350 -0.000 0.000 0.266 237 T C 1.920 176.432 174.700 -0.313 0.000 1.040 237 T CA 1.151 63.175 62.100 -0.126 0.000 1.141 237 T CB -0.602 68.220 68.868 -0.077 0.000 0.868 237 T HN 0.381 nan 8.240 nan 0.000 0.444 238 G N 1.818 110.476 108.800 -0.238 0.000 2.476 238 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 238 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 238 G C 1.604 176.436 174.900 -0.113 0.000 1.164 238 G CA 0.852 45.821 45.100 -0.218 0.000 0.768 238 G HN 0.441 nan 8.290 nan 0.000 0.560 239 K N -0.695 119.685 120.400 -0.034 0.000 2.097 239 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 239 K C 2.197 178.778 176.600 -0.032 0.000 1.050 239 K CA 1.184 57.459 56.287 -0.021 0.000 0.938 239 K CB -0.256 32.245 32.500 0.001 0.000 0.718 239 K HN 0.524 nan 8.250 nan 0.000 0.442 240 H N 1.020 120.023 119.070 -0.112 0.000 2.321 240 H HA -0.044 4.512 4.556 -0.000 0.000 0.300 240 H C 1.888 177.140 175.328 -0.126 0.000 1.087 240 H CA 1.778 57.763 56.048 -0.106 0.000 1.319 240 H CB -0.014 29.684 29.762 -0.106 0.000 1.379 240 H HN 0.051 nan 8.280 nan 0.000 0.501 241 I N -0.080 120.449 120.570 -0.067 0.000 2.163 241 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 241 I C 2.704 178.748 176.117 -0.121 0.000 1.085 241 I CA 1.769 62.992 61.300 -0.128 0.000 1.347 241 I CB -0.277 37.558 38.000 -0.276 0.000 1.044 241 I HN 0.447 nan 8.210 nan 0.000 0.408 242 M N 0.753 120.289 119.600 -0.107 0.000 2.086 242 M HA -0.258 4.222 4.480 -0.000 0.000 0.261 242 M C 2.265 178.509 176.300 -0.094 0.000 1.067 242 M CA 1.907 57.161 55.300 -0.078 0.000 1.116 242 M CB -0.107 32.460 32.600 -0.055 0.000 1.348 242 M HN 0.018 nan 8.290 nan 0.000 0.407 243 K N -0.157 120.168 120.400 -0.125 0.000 2.103 243 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 243 K C 1.755 178.262 176.600 -0.154 0.000 1.048 243 K CA 1.688 57.891 56.287 -0.139 0.000 0.930 243 K CB -0.374 32.022 32.500 -0.175 0.000 0.716 243 K HN 0.373 nan 8.250 nan 0.000 0.444 244 N N 0.762 119.344 118.700 -0.196 0.000 2.216 244 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 244 N C 1.518 176.974 175.510 -0.090 0.000 1.017 244 N CA 1.252 54.208 53.050 -0.157 0.000 0.861 244 N CB -0.091 38.299 38.487 -0.162 0.000 0.986 244 N HN 0.173 nan 8.380 nan 0.000 0.428 245 A N 0.326 123.100 122.820 -0.076 0.000 1.972 245 A HA 0.028 4.348 4.320 -0.000 0.000 0.219 245 A C 2.261 179.815 177.584 -0.051 0.000 1.169 245 A CA 1.721 53.727 52.037 -0.051 0.000 0.635 245 A CB -1.017 17.957 19.000 -0.043 0.000 0.810 245 A HN 0.370 nan 8.150 nan 0.000 0.446 246 A N 0.589 123.372 122.820 -0.061 0.000 1.978 246 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 246 A C 1.813 179.366 177.584 -0.051 0.000 1.170 246 A CA 1.709 53.713 52.037 -0.055 0.000 0.636 246 A CB -0.665 18.299 19.000 -0.059 0.000 0.810 246 A HN 0.572 nan 8.150 nan 0.000 0.448 247 N N 0.341 119.007 118.700 -0.057 0.000 2.258 247 N HA -0.144 4.596 4.740 -0.000 0.000 0.187 247 N C 0.516 175.998 175.510 -0.047 0.000 1.012 247 N CA 1.654 54.672 53.050 -0.053 0.000 0.870 247 N CB -0.457 37.995 38.487 -0.058 0.000 0.977 247 N HN 0.713 nan 8.380 nan 0.000 0.434 248 N N -0.815 117.859 118.700 -0.043 0.000 2.238 248 N HA 0.159 4.899 4.740 -0.000 0.000 0.235 248 N C -0.552 174.938 175.510 -0.032 0.000 1.209 248 N CA -0.076 52.952 53.050 -0.037 0.000 0.879 248 N CB 1.310 39.776 38.487 -0.035 0.000 1.136 248 N HN -0.239 nan 8.380 nan 0.000 0.517 249 V N 0.407 120.300 119.914 -0.035 0.000 5.487 249 V HA -0.251 3.868 4.120 -0.000 0.000 0.302 249 V C -0.081 175.993 176.094 -0.033 0.000 0.511 249 V CA 1.049 63.329 62.300 -0.033 0.000 0.684 249 V CB -2.881 28.924 31.823 -0.029 0.000 0.458 249 V HN 0.343 nan 8.190 nan 0.000 1.195 250 T N 2.195 116.729 114.554 -0.034 0.000 2.817 250 T HA 0.264 4.614 4.350 -0.000 0.000 0.293 250 T C 0.612 175.288 174.700 -0.040 0.000 0.964 250 T CA -0.417 61.662 62.100 -0.035 0.000 1.085 250 T CB 0.656 69.508 68.868 -0.027 0.000 0.921 250 T HN 0.522 nan 8.240 nan 0.000 0.502 251 N N 3.420 122.090 118.700 -0.049 0.000 2.353 251 N HA 0.057 4.797 4.740 -0.000 0.000 0.248 251 N C -0.127 175.351 175.510 -0.054 0.000 1.240 251 N CA 0.231 53.246 53.050 -0.058 0.000 0.862 251 N CB 0.428 38.867 38.487 -0.080 0.000 1.086 251 N HN 0.567 nan 8.380 nan 0.000 0.453 252 I N -1.884 118.658 120.570 -0.045 0.000 2.689 252 I HA 0.721 4.891 4.170 -0.000 0.000 0.299 252 I C -1.051 175.052 176.117 -0.022 0.000 1.059 252 I CA -1.231 60.054 61.300 -0.026 0.000 1.055 252 I CB 1.341 39.335 38.000 -0.010 0.000 1.243 252 I HN 0.371 nan 8.210 nan 0.000 0.425 253 A N 7.322 130.144 122.820 0.004 0.000 2.335 253 A HA 0.840 5.160 4.320 -0.000 0.000 0.304 253 A C -1.184 176.458 177.584 0.096 0.000 1.118 253 A CA -0.558 51.493 52.037 0.023 0.000 0.757 253 A CB 1.137 20.130 19.000 -0.011 0.000 1.188 253 A HN 0.751 nan 8.150 nan 0.000 0.460 254 L N 1.603 122.891 121.223 0.107 0.000 2.408 254 L HA 0.649 4.989 4.340 -0.000 0.000 0.268 254 L C -0.348 176.606 176.870 0.140 0.000 0.986 254 L CA -0.568 54.378 54.840 0.176 0.000 0.820 254 L CB 2.278 44.444 42.059 0.179 0.000 1.303 254 L HN 0.726 nan 8.230 nan 0.000 0.411 255 E N 3.644 123.925 120.200 0.135 0.000 2.241 255 E HA 0.383 4.733 4.350 -0.000 0.000 0.263 255 E C -0.991 175.660 176.600 0.085 0.000 0.882 255 E CA -0.337 56.133 56.400 0.116 0.000 0.769 255 E CB 2.025 31.824 29.700 0.165 0.000 1.185 255 E HN 0.650 nan 8.360 nan 0.000 0.415 256 L N 3.437 124.734 121.223 0.124 0.000 3.168 256 L HA 0.380 4.720 4.340 -0.000 0.000 0.277 256 L C 0.839 177.781 176.870 0.120 0.000 1.245 256 L CA 0.058 54.985 54.840 0.144 0.000 1.035 256 L CB 0.407 42.595 42.059 0.216 0.000 1.399 256 L HN 0.802 nan 8.230 nan 0.000 0.580 257 G N 0.163 109.004 108.800 0.068 0.000 2.660 257 G HA2 0.112 4.072 3.960 -0.000 0.000 0.215 257 G HA3 0.112 4.072 3.960 -0.000 0.000 0.215 257 G C -0.280 174.533 174.900 -0.146 0.000 1.345 257 G CA -0.455 44.646 45.100 0.001 0.000 0.877 257 G HN 0.567 nan 8.290 nan 0.000 0.549 258 G N -1.509 107.040 108.800 -0.420 0.000 2.550 258 G HA2 0.712 4.672 3.960 -0.000 0.000 0.293 258 G HA3 0.712 4.672 3.960 -0.000 0.000 0.293 258 G C -1.354 173.151 174.900 -0.658 0.000 1.402 258 G CA 0.393 45.105 45.100 -0.647 0.000 0.784 258 G HN 1.326 nan 8.290 nan 0.000 0.482 259 K N 1.087 121.279 120.400 -0.346 0.000 2.624 259 K HA 0.350 4.670 4.320 -0.000 0.000 0.200 259 K C -0.720 175.885 176.600 0.008 0.000 1.036 259 K CA -0.694 55.541 56.287 -0.087 0.000 1.029 259 K CB -0.265 32.292 32.500 0.096 0.000 1.317 259 K HN 0.357 nan 8.250 nan 0.000 0.555 260 N N 5.051 123.774 118.700 0.038 0.000 2.422 260 N HA 0.275 5.014 4.740 -0.000 0.000 0.264 260 N C -2.555 173.043 175.510 0.147 0.000 1.063 260 N CA -1.468 51.641 53.050 0.099 0.000 0.959 260 N CB 1.140 39.747 38.487 0.199 0.000 1.087 260 N HN 0.411 nan 8.380 nan 0.000 0.483 261 P HA 0.165 nan 4.420 nan 0.000 0.282 261 P C -0.664 176.774 177.300 0.230 0.000 1.249 261 P CA -0.481 62.684 63.100 0.109 0.000 0.806 261 P CB 0.935 32.654 31.700 0.032 0.000 0.984 262 N N 2.908 121.721 118.700 0.188 0.000 2.569 262 N HA 0.294 5.033 4.740 -0.000 0.000 0.254 262 N C -1.073 174.516 175.510 0.133 0.000 1.004 262 N CA -0.560 52.648 53.050 0.263 0.000 0.904 262 N CB -0.063 38.480 38.487 0.093 0.000 1.165 262 N HN 0.269 nan 8.380 nan 0.000 0.513 263 I N 4.183 124.859 120.570 0.177 0.000 2.315 263 I HA 0.362 4.531 4.170 -0.000 0.000 0.291 263 I C 0.076 176.289 176.117 0.159 0.000 1.006 263 I CA -0.485 60.858 61.300 0.072 0.000 1.265 263 I CB 0.967 38.946 38.000 -0.034 0.000 1.387 263 I HN 0.322 nan 8.210 nan 0.000 0.475 264 I N 6.792 127.388 120.570 0.043 0.000 2.420 264 I HA 0.320 4.490 4.170 -0.000 0.000 0.282 264 I C -0.377 175.744 176.117 0.006 0.000 1.019 264 I CA -0.402 60.913 61.300 0.026 0.000 1.130 264 I CB 0.803 38.625 38.000 -0.297 0.000 1.262 264 I HN 0.343 nan 8.210 nan 0.000 0.454 265 F N 3.719 123.805 119.950 0.227 0.000 2.378 265 F HA 0.089 4.615 4.527 -0.000 0.000 0.319 265 F C 1.630 177.489 175.800 0.098 0.000 1.155 265 F CA -0.251 57.868 58.000 0.199 0.000 1.157 265 F CB 0.640 39.767 39.000 0.212 0.000 1.252 265 F HN 0.560 nan 8.300 nan 0.000 0.550 266 D N -0.832 119.722 120.400 0.258 0.000 2.350 266 D HA -0.160 4.480 4.640 -0.000 0.000 0.216 266 D C 0.682 177.089 176.300 0.179 0.000 0.968 266 D CA 0.887 54.982 54.000 0.158 0.000 0.894 266 D CB -0.656 40.192 40.800 0.080 0.000 0.909 266 D HN 0.520 nan 8.370 nan 0.000 0.520 267 D N -0.162 120.367 120.400 0.214 0.000 2.388 267 D HA 0.247 4.887 4.640 -0.000 0.000 0.221 267 D C 0.443 176.855 176.300 0.187 0.000 1.133 267 D CA -0.559 53.537 54.000 0.160 0.000 0.831 267 D CB -0.432 40.430 40.800 0.104 0.000 0.962 267 D HN 0.258 nan 8.370 nan 0.000 0.502 268 A N 0.471 123.442 122.820 0.250 0.000 2.406 268 A HA 0.207 4.527 4.320 -0.000 0.000 0.243 268 A C 0.320 178.047 177.584 0.237 0.000 1.082 268 A CA -0.386 51.812 52.037 0.269 0.000 0.786 268 A CB 0.222 19.404 19.000 0.303 0.000 1.029 268 A HN 0.161 nan 8.150 nan 0.000 0.495 269 D N 1.166 121.702 120.400 0.227 0.000 2.349 269 D HA -0.006 4.634 4.640 -0.000 0.000 0.266 269 D C 0.703 177.123 176.300 0.201 0.000 1.293 269 D CA -0.038 54.081 54.000 0.198 0.000 0.926 269 D CB -0.133 40.773 40.800 0.175 0.000 1.090 269 D HN 0.416 nan 8.370 nan 0.000 0.502 270 F N 4.110 124.110 119.950 0.085 0.000 2.069 270 F HA -0.190 4.337 4.527 -0.001 0.000 0.298 270 F C 1.923 177.761 175.800 0.062 0.000 1.113 270 F CA 1.404 59.451 58.000 0.079 0.000 1.214 270 F CB 0.298 39.343 39.000 0.075 0.000 0.978 270 F HN 0.374 nan 8.300 nan 0.000 0.474 271 E N 0.218 120.474 120.200 0.093 0.000 2.204 271 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 271 E C 2.180 178.729 176.600 -0.084 0.000 0.989 271 E CA 0.828 57.204 56.400 -0.040 0.000 0.824 271 E CB -0.698 29.047 29.700 0.074 0.000 0.756 271 E HN 0.444 nan 8.360 nan 0.000 0.477 272 L N 0.960 122.171 121.223 -0.020 0.000 2.017 272 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 272 L C 2.187 178.946 176.870 -0.185 0.000 1.073 272 L CA 2.108 56.940 54.840 -0.012 0.000 0.745 272 L CB -0.672 41.456 42.059 0.115 0.000 0.894 272 L HN 0.029 nan 8.230 nan 0.000 0.432 273 A N -1.145 121.498 122.820 -0.296 0.000 1.933 273 A HA -0.130 4.189 4.320 -0.000 0.000 0.218 273 A C 2.239 179.587 177.584 -0.393 0.000 1.175 273 A CA 1.954 53.640 52.037 -0.585 0.000 0.628 273 A CB -1.067 17.685 19.000 -0.412 0.000 0.814 273 A HN 0.331 nan 8.150 nan 0.000 0.444 274 V N 0.365 120.073 119.914 -0.342 0.000 2.307 274 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 274 V C 2.316 178.277 176.094 -0.223 0.000 1.045 274 V CA 2.445 64.567 62.300 -0.297 0.000 1.024 274 V CB -0.875 30.683 31.823 -0.442 0.000 0.651 274 V HN 0.761 nan 8.190 nan 0.000 0.449 275 D N -0.529 119.760 120.400 -0.184 0.000 2.106 275 D HA -0.237 4.402 4.640 -0.000 0.000 0.191 275 D C 2.211 178.418 176.300 -0.155 0.000 0.997 275 D CA 1.518 55.447 54.000 -0.117 0.000 0.834 275 D CB -0.040 40.726 40.800 -0.057 0.000 0.956 275 D HN 0.336 nan 8.370 nan 0.000 0.448 276 Q N -0.461 119.209 119.800 -0.217 0.000 2.311 276 Q HA 0.048 4.388 4.340 -0.000 0.000 0.203 276 Q C 2.141 177.910 176.000 -0.386 0.000 0.954 276 Q CA 0.921 56.579 55.803 -0.241 0.000 0.885 276 Q CB -0.046 28.608 28.738 -0.140 0.000 0.963 276 Q HN 0.430 nan 8.270 nan 0.000 0.471 277 A N 0.955 123.559 122.820 -0.359 0.000 1.898 277 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 277 A C 2.207 179.587 177.584 -0.340 0.000 1.181 277 A CA 0.891 52.736 52.037 -0.320 0.000 0.620 277 A CB -0.629 18.354 19.000 -0.028 0.000 0.819 277 A HN 0.284 nan 8.150 nan 0.000 0.442 278 L N -0.046 121.049 121.223 -0.214 0.000 2.012 278 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 278 L C 2.362 179.098 176.870 -0.224 0.000 1.073 278 L CA 1.429 56.223 54.840 -0.078 0.000 0.748 278 L CB -0.699 41.377 42.059 0.028 0.000 0.891 278 L HN 0.373 nan 8.230 nan 0.000 0.431 279 N N 0.341 118.803 118.700 -0.397 0.000 2.084 279 N HA -0.129 4.610 4.740 -0.000 0.000 0.190 279 N C 1.874 176.948 175.510 -0.727 0.000 1.030 279 N CA 1.568 54.084 53.050 -0.890 0.000 0.849 279 N CB -0.813 37.142 38.487 -0.887 0.000 1.012 279 N HN 0.365 nan 8.380 nan 0.000 0.423 280 G N 0.222 108.597 108.800 -0.709 0.000 2.440 280 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 280 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 280 G C 1.582 176.142 174.900 -0.566 0.000 1.154 280 G CA 1.171 45.680 45.100 -0.986 0.000 0.767 280 G HN 0.452 nan 8.290 nan 0.000 0.552 281 G N -0.757 107.647 108.800 -0.659 0.000 2.408 281 G HA2 0.038 3.998 3.960 -0.000 0.000 0.215 281 G HA3 0.038 3.998 3.960 -0.000 0.000 0.215 281 G C 1.344 175.863 174.900 -0.635 0.000 1.156 281 G CA 0.810 45.422 45.100 -0.814 0.000 0.793 281 G HN 0.470 nan 8.290 nan 0.000 0.535 282 Y N -1.298 119.006 120.300 0.008 0.000 2.471 282 Y HA 0.453 5.003 4.550 -0.000 0.000 0.249 282 Y C 0.322 176.385 175.900 0.271 0.000 1.116 282 Y CA -2.056 56.112 58.100 0.114 0.000 1.240 282 Y CB 0.065 38.578 38.460 0.089 0.000 1.251 282 Y HN -0.111 nan 8.280 nan 0.000 0.527 283 F N 2.011 122.081 119.950 0.199 0.000 2.623 283 F HA 0.041 4.568 4.527 -0.001 0.000 0.383 283 F C 1.441 177.363 175.800 0.204 0.000 1.077 283 F CA 0.403 58.493 58.000 0.151 0.000 1.268 283 F CB -0.214 38.806 39.000 0.033 0.000 1.053 283 F HN 0.321 nan 8.300 nan 0.000 0.571 284 H N 2.768 121.960 119.070 0.204 0.000 2.741 284 H HA -0.239 4.317 4.556 -0.000 0.000 0.305 284 H C 0.950 176.354 175.328 0.127 0.000 1.169 284 H CA 0.359 56.462 56.048 0.092 0.000 1.144 284 H CB -1.202 28.583 29.762 0.038 0.000 1.397 284 H HN 0.943 nan 8.280 nan 0.000 0.409 285 A N -1.396 121.591 122.820 0.277 0.000 2.783 285 A HA -0.001 4.319 4.320 -0.000 0.000 0.292 285 A C 2.602 180.277 177.584 0.152 0.000 1.495 285 A CA 1.838 54.011 52.037 0.226 0.000 0.787 285 A CB -1.974 17.133 19.000 0.178 0.000 1.017 285 A HN 2.375 nan 8.150 nan 0.000 0.516 286 G N -2.193 106.688 108.800 0.133 0.000 2.153 286 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.252 286 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.252 286 G C 0.152 174.896 174.900 -0.260 0.000 0.994 286 G CA 0.912 46.013 45.100 0.000 0.000 0.698 286 G HN 1.355 nan 8.290 nan 0.000 0.521 287 Q N -0.077 119.517 119.800 -0.343 0.000 2.894 287 Q HA 0.462 4.801 4.340 -0.000 0.000 0.358 287 Q C -0.077 175.466 176.000 -0.761 0.000 1.155 287 Q CA -0.142 55.181 55.803 -0.801 0.000 0.960 287 Q CB 0.963 29.467 28.738 -0.389 0.000 1.428 287 Q HN 0.347 nan 8.270 nan 0.000 0.437 288 V N -0.168 119.365 119.914 -0.636 0.000 2.604 288 V HA 0.052 4.172 4.120 -0.000 0.000 0.305 288 V C 1.238 177.354 176.094 0.035 0.000 1.043 288 V CA -0.886 61.391 62.300 -0.037 0.000 0.888 288 V CB 1.410 33.377 31.823 0.240 0.000 0.995 288 V HN 0.694 nan 8.190 nan 0.000 0.429 289 C N 1.064 120.519 119.300 0.258 0.000 2.413 289 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 289 C C 2.299 177.518 174.990 0.382 0.000 1.265 289 C CA 1.018 60.264 59.018 0.380 0.000 1.752 289 C CB -1.266 26.664 27.740 0.317 0.000 1.998 289 C HN 0.980 nan 8.230 nan 0.000 0.489 290 S N 1.119 117.102 115.700 0.472 0.000 2.577 290 S HA 0.534 5.004 4.470 -0.000 0.000 0.219 290 S C 0.811 175.752 174.600 0.568 0.000 0.962 290 S CA 0.355 58.920 58.200 0.609 0.000 0.921 290 S CB -0.659 63.096 63.200 0.925 0.000 0.789 290 S HN 1.074 nan 8.310 nan 0.000 0.497 291 A N 1.272 124.330 122.820 0.397 0.000 2.587 291 A HA 0.469 4.788 4.320 -0.000 0.000 0.235 291 A C 0.925 178.660 177.584 0.252 0.000 1.044 291 A CA 0.294 52.505 52.037 0.291 0.000 0.754 291 A CB -0.366 18.672 19.000 0.062 0.000 0.968 291 A HN 0.691 nan 8.150 nan 0.000 0.509 292 G N 1.629 110.451 108.800 0.036 0.000 3.161 292 G HA2 0.365 4.325 3.960 -0.000 0.000 0.293 292 G HA3 0.365 4.325 3.960 -0.000 0.000 0.293 292 G C 0.976 175.772 174.900 -0.174 0.000 0.893 292 G CA 0.408 45.459 45.100 -0.083 0.000 1.756 292 G HN 1.199 nan 8.290 nan 0.000 0.549 293 S N 1.278 116.945 115.700 -0.054 0.000 2.461 293 S HA 0.053 4.523 4.470 -0.000 0.000 0.228 293 S C 1.245 175.821 174.600 -0.041 0.000 1.005 293 S CA -0.007 58.151 58.200 -0.070 0.000 0.942 293 S CB 0.234 63.414 63.200 -0.033 0.000 0.776 293 S HN 0.405 nan 8.310 nan 0.000 0.514 294 R N 1.054 121.549 120.500 -0.009 0.000 2.287 294 R HA 0.510 4.850 4.340 -0.000 0.000 0.316 294 R C -1.286 175.017 176.300 0.006 0.000 1.050 294 R CA -0.519 55.586 56.100 0.009 0.000 0.983 294 R CB 0.203 30.521 30.300 0.029 0.000 1.140 294 R HN 0.354 nan 8.270 nan 0.000 0.528 295 I N 5.442 126.009 120.570 -0.006 0.000 2.395 295 I HA 0.204 4.374 4.170 -0.000 0.000 0.289 295 I C -0.195 175.917 176.117 -0.008 0.000 1.023 295 I CA -0.459 60.827 61.300 -0.024 0.000 1.350 295 I CB 1.254 39.247 38.000 -0.013 0.000 1.409 295 I HN 0.403 nan 8.210 nan 0.000 0.507 296 L N 7.445 128.662 121.223 -0.009 0.000 2.342 296 L HA 0.555 4.895 4.340 -0.000 0.000 0.276 296 L C -0.708 176.219 176.870 0.095 0.000 0.997 296 L CA -0.587 54.303 54.840 0.084 0.000 0.838 296 L CB 1.892 43.994 42.059 0.072 0.000 1.224 296 L HN 0.335 nan 8.230 nan 0.000 0.416 297 V N 3.803 123.678 119.914 -0.066 0.000 2.604 297 V HA 0.353 4.472 4.120 -0.000 0.000 0.305 297 V C -0.221 175.411 176.094 -0.770 0.000 1.043 297 V CA -0.417 61.666 62.300 -0.362 0.000 0.888 297 V CB 2.278 33.805 31.823 -0.492 0.000 0.995 297 V HN 0.850 nan 8.190 nan 0.000 0.429 298 Q N 3.819 122.970 119.800 -1.082 0.000 2.330 298 Q HA 0.101 4.441 4.340 -0.000 0.000 0.279 298 Q C 1.109 176.765 176.000 -0.572 0.000 1.024 298 Q CA 0.875 55.899 55.803 -1.299 0.000 0.900 298 Q CB 0.544 28.819 28.738 -0.772 0.000 1.221 298 Q HN 0.874 nan 8.270 nan 0.000 0.396 299 N N 0.555 118.985 118.700 -0.450 0.000 2.137 299 N HA -0.237 4.503 4.740 -0.000 0.000 0.190 299 N C 1.470 176.905 175.510 -0.125 0.000 1.017 299 N CA 1.339 54.264 53.050 -0.207 0.000 0.859 299 N CB 0.052 38.461 38.487 -0.130 0.000 1.002 299 N HN 0.644 nan 8.380 nan 0.000 0.428 300 S N 1.066 116.696 115.700 -0.118 0.000 2.419 300 S HA -0.135 4.335 4.470 -0.000 0.000 0.235 300 S C 1.626 176.200 174.600 -0.044 0.000 1.019 300 S CA 1.028 59.192 58.200 -0.060 0.000 0.982 300 S CB -0.609 62.568 63.200 -0.038 0.000 0.789 300 S HN 0.584 nan 8.310 nan 0.000 0.490 301 I N -2.551 117.991 120.570 -0.045 0.000 4.050 301 I HA 0.479 4.649 4.170 -0.000 0.000 0.327 301 I C 1.463 177.633 176.117 0.087 0.000 1.473 301 I CA -0.602 60.709 61.300 0.017 0.000 1.124 301 I CB 0.300 38.343 38.000 0.071 0.000 1.129 301 I HN 0.004 nan 8.210 nan 0.000 0.428 302 K N 1.922 122.335 120.400 0.021 0.000 2.002 302 K HA -0.182 4.137 4.320 -0.000 0.000 0.209 302 K C 1.363 178.046 176.600 0.139 0.000 1.048 302 K CA 2.419 58.747 56.287 0.068 0.000 0.930 302 K CB -0.004 32.488 32.500 -0.013 0.000 0.714 302 K HN 0.325 nan 8.250 nan 0.000 0.438 303 D N 0.677 121.122 120.400 0.075 0.000 2.104 303 D HA -0.202 4.437 4.640 -0.000 0.000 0.194 303 D C 1.810 178.161 176.300 0.085 0.000 0.994 303 D CA 1.238 55.278 54.000 0.066 0.000 0.830 303 D CB -0.133 40.684 40.800 0.029 0.000 0.959 303 D HN 0.340 nan 8.370 nan 0.000 0.452 304 K N -0.174 120.279 120.400 0.088 0.000 2.057 304 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 304 K C 2.177 178.939 176.600 0.271 0.000 1.049 304 K CA 0.717 57.057 56.287 0.089 0.000 0.931 304 K CB -0.281 32.188 32.500 -0.051 0.000 0.714 304 K HN 0.052 nan 8.250 nan 0.000 0.440 305 F N 2.294 122.394 119.950 0.249 0.000 2.102 305 F HA -0.131 4.395 4.527 -0.001 0.000 0.298 305 F C 1.822 177.685 175.800 0.105 0.000 1.105 305 F CA 1.756 59.918 58.000 0.270 0.000 1.239 305 F CB -0.113 38.978 39.000 0.151 0.000 0.991 305 F HN 0.127 nan 8.300 nan 0.000 0.474 306 E N -0.404 119.841 120.200 0.076 0.000 2.085 306 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 306 E C 2.152 178.687 176.600 -0.109 0.000 0.994 306 E CA 1.381 57.753 56.400 -0.046 0.000 0.801 306 E CB -0.217 29.521 29.700 0.064 0.000 0.743 306 E HN 0.449 nan 8.360 nan 0.000 0.453 307 Q N -0.132 119.644 119.800 -0.040 0.000 2.123 307 Q HA -0.038 4.301 4.340 -0.000 0.000 0.199 307 Q C 2.106 178.070 176.000 -0.061 0.000 0.966 307 Q CA 1.254 57.035 55.803 -0.036 0.000 0.845 307 Q CB -0.295 28.441 28.738 -0.003 0.000 0.907 307 Q HN 0.264 nan 8.270 nan 0.000 0.439 308 A N 0.617 123.401 122.820 -0.059 0.000 1.930 308 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 308 A C 2.113 179.569 177.584 -0.213 0.000 1.175 308 A CA 1.149 53.144 52.037 -0.070 0.000 0.627 308 A CB -0.549 18.496 19.000 0.074 0.000 0.815 308 A HN 0.320 nan 8.150 nan 0.000 0.443 309 L N -0.044 120.936 121.223 -0.404 0.000 2.027 309 L HA -0.056 4.284 4.340 -0.000 0.000 0.206 309 L C 2.222 178.979 176.870 -0.190 0.000 1.074 309 L CA 1.690 56.288 54.840 -0.403 0.000 0.745 309 L CB -0.427 41.255 42.059 -0.629 0.000 0.898 309 L HN 0.419 nan 8.230 nan 0.000 0.433 310 I N -0.309 120.171 120.570 -0.149 0.000 2.226 310 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 310 I C 1.986 178.057 176.117 -0.077 0.000 1.100 310 I CA 1.312 62.561 61.300 -0.085 0.000 1.374 310 I CB -0.550 37.414 38.000 -0.059 0.000 1.057 310 I HN 0.285 nan 8.210 nan 0.000 0.413 311 D N 0.580 120.935 120.400 -0.075 0.000 2.149 311 D HA -0.149 4.491 4.640 -0.000 0.000 0.198 311 D C 2.340 178.603 176.300 -0.061 0.000 0.990 311 D CA 1.008 54.974 54.000 -0.057 0.000 0.839 311 D CB -0.227 40.548 40.800 -0.042 0.000 0.948 311 D HN 0.204 nan 8.370 nan 0.000 0.460 312 R N 0.419 120.875 120.500 -0.074 0.000 2.073 312 R HA 0.004 4.344 4.340 -0.000 0.000 0.229 312 R C 2.443 178.698 176.300 -0.074 0.000 1.120 312 R CA 0.251 56.311 56.100 -0.066 0.000 0.967 312 R CB -0.922 29.335 30.300 -0.072 0.000 0.862 312 R HN 0.159 nan 8.270 nan 0.000 0.436 313 V N 1.871 121.730 119.914 -0.092 0.000 2.392 313 V HA -0.260 3.860 4.120 -0.000 0.000 0.249 313 V C 2.136 178.146 176.094 -0.140 0.000 1.059 313 V CA 1.745 63.954 62.300 -0.152 0.000 1.051 313 V CB -0.416 31.313 31.823 -0.156 0.000 0.658 313 V HN 0.327 nan 8.190 nan 0.000 0.455 314 K N -0.164 120.177 120.400 -0.099 0.000 2.281 314 K HA -0.160 4.160 4.320 -0.000 0.000 0.203 314 K C 1.887 178.441 176.600 -0.076 0.000 1.046 314 K CA 1.131 57.367 56.287 -0.085 0.000 0.938 314 K CB -0.131 32.330 32.500 -0.065 0.000 0.737 314 K HN 0.462 nan 8.250 nan 0.000 0.458 315 K N 0.326 120.685 120.400 -0.069 0.000 2.367 315 K HA 0.168 4.488 4.320 -0.000 0.000 0.194 315 K C 0.222 176.792 176.600 -0.050 0.000 1.027 315 K CA -0.109 56.147 56.287 -0.052 0.000 1.075 315 K CB 0.383 32.861 32.500 -0.037 0.000 0.845 315 K HN 0.051 nan 8.250 nan 0.000 0.529 316 I N 2.690 123.218 120.570 -0.070 0.000 2.683 316 I HA -0.099 4.071 4.170 -0.000 0.000 0.286 316 I C 0.121 176.210 176.117 -0.046 0.000 1.175 316 I CA 0.491 61.757 61.300 -0.057 0.000 1.429 316 I CB 0.307 38.242 38.000 -0.108 0.000 1.371 316 I HN -0.076 nan 8.210 nan 0.000 0.569 317 K N 6.705 127.095 120.400 -0.018 0.000 2.264 317 K HA 0.421 4.741 4.320 -0.000 0.000 0.277 317 K C -0.951 175.647 176.600 -0.003 0.000 1.067 317 K CA -0.771 55.504 56.287 -0.020 0.000 0.900 317 K CB 1.048 33.542 32.500 -0.010 0.000 1.124 317 K HN 0.274 nan 8.250 nan 0.000 0.469 318 L N 1.859 123.061 121.223 -0.036 0.000 2.357 318 L HA 0.612 4.952 4.340 -0.000 0.000 0.273 318 L C 0.802 177.619 176.870 -0.088 0.000 1.080 318 L CA 0.439 55.265 54.840 -0.022 0.000 0.803 318 L CB 1.563 43.551 42.059 -0.118 0.000 1.174 318 L HN 0.881 nan 8.230 nan 0.000 0.443 319 G N 1.175 110.004 108.800 0.048 0.000 2.336 319 G HA2 0.053 4.013 3.960 -0.000 0.000 0.286 319 G HA3 0.053 4.013 3.960 -0.000 0.000 0.286 319 G C -1.410 173.696 174.900 0.343 0.000 1.269 319 G CA -0.841 44.307 45.100 0.080 0.000 0.873 319 G HN 0.475 nan 8.290 nan 0.000 0.494 320 N N 0.640 119.412 118.700 0.119 0.000 2.483 320 N HA 0.312 5.052 4.740 -0.000 0.000 0.264 320 N C 1.639 177.065 175.510 -0.141 0.000 1.197 320 N CA 0.787 53.663 53.050 -0.291 0.000 0.927 320 N CB 1.301 39.367 38.487 -0.701 0.000 1.065 320 N HN 0.865 nan 8.380 nan 0.000 0.461 321 G N 2.622 111.305 108.800 -0.195 0.000 2.470 321 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 321 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 321 G C 0.927 175.623 174.900 -0.340 0.000 1.121 321 G CA 0.395 45.331 45.100 -0.272 0.000 0.766 321 G HN 0.609 nan 8.290 nan 0.000 0.553 322 F N 0.626 120.473 119.950 -0.172 0.000 2.558 322 F HA 0.182 4.709 4.527 -0.001 0.000 0.298 322 F C 1.106 176.843 175.800 -0.105 0.000 1.119 322 F CA -0.345 57.571 58.000 -0.141 0.000 1.451 322 F CB 0.158 39.070 39.000 -0.147 0.000 1.091 322 F HN -0.013 nan 8.300 nan 0.000 0.563 323 D N 0.334 120.756 120.400 0.037 0.000 2.312 323 D HA 0.235 4.875 4.640 -0.000 0.000 0.252 323 D C 1.211 177.518 176.300 0.011 0.000 1.150 323 D CA 0.240 54.252 54.000 0.019 0.000 0.870 323 D CB 1.672 42.469 40.800 -0.004 0.000 1.153 323 D HN 0.128 nan 8.370 nan 0.000 0.457 324 A N 4.098 126.931 122.820 0.023 0.000 2.019 324 A HA -0.175 4.144 4.320 -0.000 0.000 0.219 324 A C 1.524 179.114 177.584 0.011 0.000 1.164 324 A CA 1.157 53.206 52.037 0.020 0.000 0.644 324 A CB -0.035 18.983 19.000 0.030 0.000 0.805 324 A HN 0.561 nan 8.150 nan 0.000 0.449 325 D N -0.421 119.984 120.400 0.008 0.000 2.347 325 D HA 0.027 4.667 4.640 -0.000 0.000 0.213 325 D C 0.254 176.558 176.300 0.006 0.000 0.985 325 D CA 0.546 54.549 54.000 0.006 0.000 0.879 325 D CB -0.290 40.511 40.800 0.003 0.000 0.919 325 D HN 0.241 nan 8.370 nan 0.000 0.526 326 T N 0.838 115.395 114.554 0.005 0.000 2.888 326 T HA 0.065 4.415 4.350 -0.000 0.000 0.301 326 T C 1.232 175.943 174.700 0.018 0.000 1.001 326 T CA 0.290 62.399 62.100 0.015 0.000 1.147 326 T CB 1.242 70.121 68.868 0.017 0.000 0.931 326 T HN 0.091 nan 8.240 nan 0.000 0.541 327 E N 2.123 122.346 120.200 0.038 0.000 2.372 327 E HA 0.255 4.605 4.350 -0.000 0.000 0.201 327 E C 0.326 176.980 176.600 0.090 0.000 0.938 327 E CA 0.186 56.619 56.400 0.055 0.000 0.944 327 E CB 0.640 30.378 29.700 0.064 0.000 0.937 327 E HN 0.468 nan 8.360 nan 0.000 0.495 328 M N 0.639 120.306 119.600 0.112 0.000 2.271 328 M HA 0.409 4.889 4.480 -0.000 0.000 0.285 328 M C -0.627 175.814 176.300 0.234 0.000 1.059 328 M CA -0.490 54.910 55.300 0.167 0.000 0.940 328 M CB 1.808 34.514 32.600 0.177 0.000 1.636 328 M HN 0.092 nan 8.290 nan 0.000 0.460 329 G N 3.605 112.532 108.800 0.212 0.000 2.525 329 G HA2 0.704 4.664 3.960 -0.000 0.000 0.287 329 G HA3 0.704 4.664 3.960 -0.000 0.000 0.287 329 G C -2.926 172.048 174.900 0.124 0.000 1.350 329 G CA -0.991 44.248 45.100 0.233 0.000 1.039 329 G HN 0.442 nan 8.290 nan 0.000 0.513 330 P HA 0.250 nan 4.420 nan 0.000 0.274 330 P C 0.420 177.614 177.300 -0.176 0.000 1.256 330 P CA -0.254 62.478 63.100 -0.613 0.000 0.795 330 P CB 1.110 32.221 31.700 -0.981 0.000 1.038 331 V N -1.188 118.654 119.914 -0.120 0.000 3.336 331 V HA 0.143 4.262 4.120 -0.000 0.000 0.304 331 V C 1.634 177.662 176.094 -0.110 0.000 1.073 331 V CA -0.170 62.114 62.300 -0.027 0.000 1.074 331 V CB -0.187 31.672 31.823 0.060 0.000 1.161 331 V HN 0.415 nan 8.190 nan 0.000 0.460 332 I N 1.294 121.755 120.570 -0.181 0.000 2.500 332 I HA 0.101 4.270 4.170 -0.000 0.000 0.252 332 I C 1.021 176.953 176.117 -0.309 0.000 1.142 332 I CA 1.670 62.771 61.300 -0.332 0.000 1.451 332 I CB -0.010 37.487 38.000 -0.838 0.000 1.093 332 I HN 1.119 nan 8.210 nan 0.000 0.430 333 S N -3.422 112.122 115.700 -0.260 0.000 2.615 333 S HA 0.279 4.749 4.470 -0.000 0.000 0.269 333 S C 0.617 175.152 174.600 -0.110 0.000 1.161 333 S CA -0.109 57.975 58.200 -0.193 0.000 0.817 333 S CB 0.873 63.916 63.200 -0.260 0.000 1.131 333 S HN 0.016 nan 8.310 nan 0.000 0.467 334 T N 1.631 116.136 114.554 -0.081 0.000 2.720 334 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 334 T C 1.319 175.994 174.700 -0.043 0.000 1.037 334 T CA 2.331 64.400 62.100 -0.051 0.000 1.144 334 T CB -0.587 68.258 68.868 -0.038 0.000 0.864 334 T HN 0.753 nan 8.240 nan 0.000 0.444 335 E N 0.034 120.208 120.200 -0.043 0.000 2.106 335 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 335 E C 2.007 178.618 176.600 0.017 0.000 0.984 335 E CA 0.876 57.266 56.400 -0.016 0.000 0.806 335 E CB -0.275 29.417 29.700 -0.013 0.000 0.750 335 E HN 0.553 nan 8.360 nan 0.000 0.458 336 H N 0.292 119.289 119.070 -0.123 0.000 2.363 336 H HA 0.113 4.669 4.556 -0.000 0.000 0.301 336 H C 1.997 177.279 175.328 -0.076 0.000 1.074 336 H CA 1.653 57.645 56.048 -0.092 0.000 1.354 336 H CB 0.167 29.807 29.762 -0.203 0.000 1.397 336 H HN -0.016 nan 8.280 nan 0.000 0.516 337 R N -0.003 120.418 120.500 -0.132 0.000 2.096 337 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 337 R C 2.080 178.269 176.300 -0.186 0.000 1.127 337 R CA 1.657 57.644 56.100 -0.188 0.000 0.968 337 R CB -0.212 30.050 30.300 -0.064 0.000 0.861 337 R HN 0.339 nan 8.270 nan 0.000 0.440 338 N N 0.789 119.427 118.700 -0.103 0.000 2.069 338 N HA -0.244 4.496 4.740 -0.000 0.000 0.191 338 N C 1.661 177.117 175.510 -0.089 0.000 1.031 338 N CA 1.923 54.930 53.050 -0.072 0.000 0.852 338 N CB -0.077 38.388 38.487 -0.038 0.000 1.018 338 N HN 0.217 nan 8.380 nan 0.000 0.423 339 K N 0.270 120.617 120.400 -0.088 0.000 2.032 339 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 339 K C 1.988 178.577 176.600 -0.017 0.000 1.048 339 K CA 1.507 57.775 56.287 -0.031 0.000 0.927 339 K CB -0.263 32.264 32.500 0.044 0.000 0.712 339 K HN 0.265 nan 8.250 nan 0.000 0.441 340 I N 1.294 121.739 120.570 -0.208 0.000 2.163 340 I HA -0.273 3.896 4.170 -0.000 0.000 0.243 340 I C 2.215 178.185 176.117 -0.245 0.000 1.085 340 I CA 1.571 62.701 61.300 -0.283 0.000 1.347 340 I CB -0.269 37.346 38.000 -0.641 0.000 1.044 340 I HN 0.301 nan 8.210 nan 0.000 0.408 341 E N 0.063 120.104 120.200 -0.265 0.000 2.110 341 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 341 E C 2.279 178.867 176.600 -0.019 0.000 0.988 341 E CA 1.506 57.852 56.400 -0.090 0.000 0.804 341 E CB -0.131 29.559 29.700 -0.017 0.000 0.745 341 E HN 0.327 nan 8.360 nan 0.000 0.458 342 S N -0.409 115.257 115.700 -0.057 0.000 2.382 342 S HA -0.170 4.300 4.470 -0.000 0.000 0.228 342 S C 1.757 176.280 174.600 -0.129 0.000 1.027 342 S CA 0.958 59.095 58.200 -0.104 0.000 0.991 342 S CB -0.201 62.895 63.200 -0.173 0.000 0.823 342 S HN 0.298 nan 8.310 nan 0.000 0.469 343 Y N 1.109 121.392 120.300 -0.028 0.000 2.293 343 Y HA 0.042 4.592 4.550 -0.000 0.000 0.291 343 Y C 2.426 178.338 175.900 0.020 0.000 1.137 343 Y CA 1.063 59.162 58.100 -0.002 0.000 1.202 343 Y CB -0.240 38.216 38.460 -0.007 0.000 0.990 343 Y HN 0.283 nan 8.280 nan 0.000 0.537 344 M N -0.614 119.083 119.600 0.163 0.000 2.175 344 M HA -0.185 4.295 4.480 -0.000 0.000 0.264 344 M C 1.773 178.137 176.300 0.106 0.000 1.063 344 M CA 1.524 56.915 55.300 0.151 0.000 1.119 344 M CB -1.094 31.618 32.600 0.187 0.000 1.377 344 M HN 0.278 nan 8.290 nan 0.000 0.415 345 D N 0.336 120.776 120.400 0.066 0.000 2.117 345 D HA -0.103 4.536 4.640 -0.000 0.000 0.198 345 D C 1.951 178.271 176.300 0.033 0.000 0.982 345 D CA 0.994 55.017 54.000 0.038 0.000 0.828 345 D CB 0.266 41.071 40.800 0.008 0.000 0.967 345 D HN 0.071 nan 8.370 nan 0.000 0.464 346 V N 0.845 120.772 119.914 0.022 0.000 2.287 346 V HA -0.243 3.876 4.120 -0.000 0.000 0.248 346 V C 2.610 178.750 176.094 0.076 0.000 1.053 346 V CA 1.861 64.180 62.300 0.031 0.000 1.027 346 V CB -1.041 30.787 31.823 0.009 0.000 0.646 346 V HN 0.377 nan 8.190 nan 0.000 0.447 347 A N -0.118 122.769 122.820 0.112 0.000 1.883 347 A HA -0.312 4.008 4.320 -0.000 0.000 0.217 347 A C 2.357 179.987 177.584 0.077 0.000 1.186 347 A CA 2.418 54.519 52.037 0.106 0.000 0.624 347 A CB -0.565 18.507 19.000 0.121 0.000 0.822 347 A HN 0.552 nan 8.150 nan 0.000 0.444 348 K N -0.397 120.045 120.400 0.070 0.000 2.057 348 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 348 K C 2.040 178.666 176.600 0.043 0.000 1.049 348 K CA 1.315 57.635 56.287 0.054 0.000 0.931 348 K CB -0.325 32.206 32.500 0.051 0.000 0.714 348 K HN 0.363 nan 8.250 nan 0.000 0.440 349 A N 1.078 123.922 122.820 0.040 0.000 2.014 349 A HA -0.095 4.224 4.320 -0.000 0.000 0.218 349 A C 1.525 179.128 177.584 0.033 0.000 1.163 349 A CA 1.197 53.253 52.037 0.031 0.000 0.652 349 A CB -0.237 18.777 19.000 0.022 0.000 0.808 349 A HN 0.462 nan 8.150 nan 0.000 0.449 350 E N -1.489 118.736 120.200 0.042 0.000 2.481 350 E HA 0.198 4.548 4.350 -0.000 0.000 0.195 350 E C 1.132 177.757 176.600 0.041 0.000 1.047 350 E CA 0.340 56.766 56.400 0.044 0.000 0.867 350 E CB -0.049 29.685 29.700 0.057 0.000 0.858 350 E HN 0.734 nan 8.360 nan 0.000 0.513 351 G N 0.950 109.774 108.800 0.040 0.000 2.163 351 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.213 351 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.213 351 G C 0.323 175.247 174.900 0.041 0.000 0.991 351 G CA -0.041 45.081 45.100 0.037 0.000 0.653 351 G HN 0.447 nan 8.290 nan 0.000 0.518 352 A N -0.248 122.602 122.820 0.049 0.000 2.287 352 A HA 0.788 5.108 4.320 -0.000 0.000 0.273 352 A C 0.533 178.147 177.584 0.051 0.000 1.091 352 A CA 0.841 52.910 52.037 0.053 0.000 0.817 352 A CB 0.609 19.648 19.000 0.064 0.000 1.069 352 A HN 0.729 nan 8.150 nan 0.000 0.492 353 T N 2.175 116.759 114.554 0.050 0.000 2.771 353 T HA 0.401 4.751 4.350 -0.000 0.000 0.281 353 T C -0.083 174.649 174.700 0.053 0.000 0.982 353 T CA -0.196 61.932 62.100 0.046 0.000 0.978 353 T CB 0.486 69.377 68.868 0.038 0.000 0.930 353 T HN 0.363 nan 8.240 nan 0.000 0.447 354 I N 3.672 124.274 120.570 0.053 0.000 2.311 354 I HA 0.195 4.365 4.170 -0.000 0.000 0.297 354 I C 1.415 177.556 176.117 0.040 0.000 1.131 354 I CA -0.260 61.075 61.300 0.058 0.000 1.289 354 I CB -0.202 37.837 38.000 0.065 0.000 1.446 354 I HN 0.779 nan 8.210 nan 0.000 0.524 355 A N 5.885 128.729 122.820 0.039 0.000 1.970 355 A HA 0.149 4.469 4.320 -0.000 0.000 0.216 355 A C 0.937 178.526 177.584 0.008 0.000 1.170 355 A CA 0.725 52.776 52.037 0.023 0.000 0.645 355 A CB 0.419 19.434 19.000 0.025 0.000 0.816 355 A HN 0.495 nan 8.150 nan 0.000 0.447 356 V N -2.961 116.958 119.914 0.010 0.000 3.098 356 V HA 0.564 4.684 4.120 -0.000 0.000 0.294 356 V C 0.340 176.423 176.094 -0.019 0.000 1.351 356 V CA 0.396 62.686 62.300 -0.016 0.000 0.999 356 V CB 1.297 33.101 31.823 -0.032 0.000 1.104 356 V HN 1.939 nan 8.190 nan 0.000 0.438 357 G N 3.911 112.676 108.800 -0.059 0.000 2.527 357 G HA2 0.311 4.271 3.960 -0.000 0.000 0.268 357 G HA3 0.311 4.271 3.960 -0.000 0.000 0.268 357 G C 1.384 176.232 174.900 -0.086 0.000 1.175 357 G CA 0.856 45.894 45.100 -0.104 0.000 0.962 357 G HN 2.740 nan 8.290 nan 0.000 0.560 358 G N -0.985 107.771 108.800 -0.074 0.000 2.143 358 G HA2 0.111 4.071 3.960 -0.000 0.000 0.248 358 G HA3 0.111 4.071 3.960 -0.000 0.000 0.248 358 G C 0.223 175.103 174.900 -0.033 0.000 0.991 358 G CA 2.141 47.299 45.100 0.098 0.000 0.689 358 G HN 2.068 nan 8.290 nan 0.000 0.522 359 K N -1.700 118.382 120.400 -0.529 0.000 2.499 359 K HA 0.737 5.057 4.320 -0.000 0.000 0.277 359 K C -0.230 175.929 176.600 -0.736 0.000 1.025 359 K CA -1.398 54.632 56.287 -0.428 0.000 0.900 359 K CB 1.283 33.678 32.500 -0.175 0.000 1.494 359 K HN 0.116 nan 8.250 nan 0.000 0.442 360 R N 0.931 121.252 120.500 -0.299 0.000 2.490 360 R HA 0.302 4.642 4.340 -0.000 0.000 0.278 360 R C -2.167 174.048 176.300 -0.141 0.000 1.069 360 R CA -1.708 54.293 56.100 -0.165 0.000 1.080 360 R CB 0.423 30.737 30.300 0.022 0.000 1.030 360 R HN 0.489 nan 8.270 nan 0.000 0.491 361 P HA -0.023 nan 4.420 nan 0.000 0.275 361 P C -0.506 176.744 177.300 -0.083 0.000 1.227 361 P CA -0.063 62.971 63.100 -0.110 0.000 0.781 361 P CB 0.846 32.469 31.700 -0.127 0.000 0.906 362 D N 1.440 121.791 120.400 -0.082 0.000 2.348 362 D HA -0.012 4.628 4.640 -0.000 0.000 0.211 362 D C 0.656 176.916 176.300 -0.066 0.000 0.998 362 D CA 0.078 54.041 54.000 -0.063 0.000 0.873 362 D CB 0.172 40.939 40.800 -0.055 0.000 0.925 362 D HN 0.296 nan 8.370 nan 0.000 0.524 363 R N 1.028 121.474 120.500 -0.088 0.000 2.538 363 R HA -0.057 4.283 4.340 -0.000 0.000 0.282 363 R C 0.759 177.011 176.300 -0.080 0.000 1.009 363 R CA -0.005 56.042 56.100 -0.088 0.000 1.063 363 R CB 0.528 30.761 30.300 -0.112 0.000 0.945 363 R HN -0.037 nan 8.270 nan 0.000 0.414 364 D N 2.366 122.732 120.400 -0.057 0.000 2.182 364 D HA -0.201 4.439 4.640 -0.000 0.000 0.201 364 D C 1.048 177.321 176.300 -0.046 0.000 0.986 364 D CA 1.574 55.548 54.000 -0.043 0.000 0.847 364 D CB 0.021 40.804 40.800 -0.029 0.000 0.942 364 D HN 0.694 nan 8.370 nan 0.000 0.467 365 D N 0.281 120.649 120.400 -0.052 0.000 2.347 365 D HA -0.109 4.531 4.640 -0.000 0.000 0.215 365 D C 1.787 178.037 176.300 -0.084 0.000 0.976 365 D CA 0.225 54.204 54.000 -0.036 0.000 0.884 365 D CB -0.212 40.588 40.800 -0.001 0.000 0.915 365 D HN 0.285 nan 8.370 nan 0.000 0.526 366 L N -0.194 120.937 121.223 -0.154 0.000 2.607 366 L HA 0.163 4.503 4.340 -0.000 0.000 0.228 366 L C 2.222 179.071 176.870 -0.035 0.000 1.123 366 L CA -0.145 54.548 54.840 -0.244 0.000 0.890 366 L CB 0.085 41.846 42.059 -0.497 0.000 1.103 366 L HN -0.191 nan 8.230 nan 0.000 0.468 367 K N 0.308 120.686 120.400 -0.037 0.000 2.211 367 K HA -0.116 4.204 4.320 -0.000 0.000 0.203 367 K C 0.811 177.413 176.600 0.003 0.000 1.050 367 K CA 1.017 57.302 56.287 -0.005 0.000 0.945 367 K CB 0.062 32.552 32.500 -0.018 0.000 0.732 367 K HN 0.244 nan 8.250 nan 0.000 0.451 368 D N 0.029 120.410 120.400 -0.032 0.000 2.348 368 D HA 0.015 4.655 4.640 -0.000 0.000 0.211 368 D C 0.820 177.082 176.300 -0.064 0.000 0.998 368 D CA 0.405 54.372 54.000 -0.053 0.000 0.873 368 D CB 0.181 40.928 40.800 -0.088 0.000 0.925 368 D HN 0.165 nan 8.370 nan 0.000 0.524 369 G N -0.231 108.561 108.800 -0.013 0.000 2.488 369 G HA2 0.458 4.418 3.960 -0.000 0.000 0.318 369 G HA3 0.458 4.418 3.960 -0.000 0.000 0.318 369 G C -0.057 174.837 174.900 -0.010 0.000 1.188 369 G CA -0.660 44.417 45.100 -0.038 0.000 0.944 369 G HN 0.102 nan 8.290 nan 0.000 0.495 370 L N 1.061 122.161 121.223 -0.205 0.000 2.727 370 L HA 0.262 4.602 4.340 -0.000 0.000 0.237 370 L C -0.499 176.255 176.870 -0.193 0.000 1.370 370 L CA -0.274 54.478 54.840 -0.147 0.000 1.248 370 L CB -0.893 41.076 42.059 -0.151 0.000 1.556 370 L HN 0.196 nan 8.230 nan 0.000 0.420 371 F N 0.072 120.061 119.950 0.065 0.000 2.375 371 F HA 0.394 4.920 4.527 -0.001 0.000 0.333 371 F C 0.035 175.933 175.800 0.163 0.000 1.104 371 F CA -0.184 57.873 58.000 0.096 0.000 1.149 371 F CB 1.082 40.107 39.000 0.043 0.000 1.190 371 F HN -0.068 nan 8.300 nan 0.000 0.533 372 F N 1.756 121.825 119.950 0.199 0.000 2.574 372 F HA 0.328 4.855 4.527 -0.000 0.000 0.313 372 F C -0.383 175.482 175.800 0.109 0.000 1.130 372 F CA -0.876 57.194 58.000 0.116 0.000 0.936 372 F CB 1.251 40.290 39.000 0.065 0.000 1.219 372 F HN 0.467 nan 8.300 nan 0.000 0.445 373 E N 6.478 126.385 120.200 -0.489 0.000 2.413 373 E HA 0.137 4.487 4.350 -0.000 0.000 0.263 373 E C -2.276 174.261 176.600 -0.105 0.000 1.015 373 E CA -1.543 54.696 56.400 -0.270 0.000 0.916 373 E CB 0.257 29.754 29.700 -0.339 0.000 0.947 373 E HN 0.218 nan 8.360 nan 0.000 0.440 374 P HA -0.022 nan 4.420 nan 0.000 0.268 374 P C -0.834 176.380 177.300 -0.144 0.000 1.204 374 P CA 0.157 63.096 63.100 -0.268 0.000 0.768 374 P CB 0.684 31.881 31.700 -0.839 0.000 0.842 375 T N 2.053 116.668 114.554 0.102 0.000 2.886 375 T HA 0.414 4.764 4.350 -0.000 0.000 0.292 375 T C -0.524 174.311 174.700 0.226 0.000 1.012 375 T CA -0.455 61.740 62.100 0.159 0.000 0.982 375 T CB 1.301 70.321 68.868 0.254 0.000 1.018 375 T HN 0.052 nan 8.240 nan 0.000 0.451 376 V N 4.188 124.186 119.914 0.140 0.000 2.444 376 V HA 0.527 4.647 4.120 -0.000 0.000 0.294 376 V C -0.414 175.737 176.094 0.095 0.000 1.022 376 V CA -0.789 61.587 62.300 0.127 0.000 0.850 376 V CB 1.429 33.305 31.823 0.087 0.000 0.992 376 V HN 0.793 nan 8.190 nan 0.000 0.426 377 I N 4.974 125.601 120.570 0.095 0.000 2.354 377 I HA 0.562 4.732 4.170 -0.000 0.000 0.292 377 I C 0.540 176.700 176.117 0.073 0.000 0.989 377 I CA -0.094 61.256 61.300 0.082 0.000 1.188 377 I CB 2.062 40.115 38.000 0.088 0.000 1.342 377 I HN 0.775 nan 8.210 nan 0.000 0.457 378 T N 1.070 115.662 114.554 0.064 0.000 2.883 378 T HA 0.409 4.759 4.350 -0.000 0.000 0.284 378 T C 0.212 174.944 174.700 0.053 0.000 1.041 378 T CA -0.798 61.338 62.100 0.060 0.000 1.007 378 T CB 1.357 70.257 68.868 0.054 0.000 1.220 378 T HN 0.573 nan 8.240 nan 0.000 0.552 379 N N -0.215 118.514 118.700 0.048 0.000 2.738 379 N HA -0.146 4.594 4.740 -0.000 0.000 0.249 379 N C 0.199 175.735 175.510 0.044 0.000 1.047 379 N CA 0.919 53.994 53.050 0.042 0.000 0.707 379 N CB -2.386 36.124 38.487 0.037 0.000 0.937 379 N HN 1.041 nan 8.380 nan 0.000 0.545 380 C N -1.754 117.575 119.300 0.048 0.000 2.871 380 C HA 0.925 5.385 4.460 -0.000 0.000 0.351 380 C C 0.311 175.329 174.990 0.047 0.000 1.338 380 C CA -0.823 58.225 59.018 0.050 0.000 1.686 380 C CB 1.557 29.331 27.740 0.056 0.000 2.135 380 C HN 0.575 nan 8.230 nan 0.000 0.476 381 D N -2.408 118.020 120.400 0.047 0.000 2.615 381 D HA 0.327 4.967 4.640 -0.000 0.000 0.267 381 D C 0.357 176.683 176.300 0.045 0.000 1.236 381 D CA -0.210 53.816 54.000 0.044 0.000 0.839 381 D CB 1.206 42.029 40.800 0.039 0.000 1.380 381 D HN 0.525 nan 8.370 nan 0.000 0.433 382 T N -1.033 113.546 114.554 0.041 0.000 2.977 382 T HA -0.122 4.227 4.350 -0.000 0.000 0.271 382 T C 1.606 176.330 174.700 0.041 0.000 1.105 382 T CA 1.921 64.044 62.100 0.039 0.000 1.116 382 T CB -0.634 68.252 68.868 0.031 0.000 0.878 382 T HN 0.467 nan 8.240 nan 0.000 0.509 383 S N -0.033 115.691 115.700 0.039 0.000 2.522 383 S HA 0.213 4.683 4.470 -0.000 0.000 0.227 383 S C 0.824 175.453 174.600 0.048 0.000 0.986 383 S CA -0.113 58.111 58.200 0.039 0.000 0.929 383 S CB -0.472 62.748 63.200 0.033 0.000 0.769 383 S HN 0.495 nan 8.310 nan 0.000 0.529 384 M N 1.492 121.125 119.600 0.055 0.000 2.242 384 M HA 0.329 4.809 4.480 -0.000 0.000 0.344 384 M C 1.509 177.860 176.300 0.085 0.000 1.140 384 M CA -0.366 54.975 55.300 0.067 0.000 1.160 384 M CB 0.757 33.398 32.600 0.068 0.000 1.491 384 M HN 0.085 nan 8.290 nan 0.000 0.459 385 R N 0.840 121.402 120.500 0.104 0.000 2.096 385 R HA -0.148 4.191 4.340 -0.000 0.000 0.235 385 R C 1.836 178.240 176.300 0.174 0.000 1.127 385 R CA 1.203 57.393 56.100 0.149 0.000 0.968 385 R CB -0.458 29.945 30.300 0.173 0.000 0.861 385 R HN 0.595 nan 8.270 nan 0.000 0.440 386 I N 0.492 121.157 120.570 0.159 0.000 2.454 386 I HA -0.196 3.974 4.170 -0.000 0.000 0.254 386 I C 1.734 177.888 176.117 0.061 0.000 1.156 386 I CA 1.289 62.666 61.300 0.128 0.000 1.433 386 I CB 0.195 38.273 38.000 0.130 0.000 1.082 386 I HN -0.115 nan 8.210 nan 0.000 0.432 387 V N -0.194 119.762 119.914 0.070 0.000 2.599 387 V HA -0.102 4.018 4.120 -0.000 0.000 0.245 387 V C 2.323 178.457 176.094 0.067 0.000 1.046 387 V CA 1.096 63.430 62.300 0.057 0.000 1.065 387 V CB -0.535 31.322 31.823 0.057 0.000 0.703 387 V HN 0.371 nan 8.190 nan 0.000 0.464 388 Q N 0.379 120.230 119.800 0.085 0.000 2.187 388 Q HA 0.057 4.397 4.340 -0.000 0.000 0.199 388 Q C 0.693 176.784 176.000 0.153 0.000 0.957 388 Q CA 0.701 56.569 55.803 0.109 0.000 0.857 388 Q CB 0.156 28.951 28.738 0.095 0.000 0.929 388 Q HN 0.695 nan 8.270 nan 0.000 0.453 389 E N 0.921 121.194 120.200 0.121 0.000 2.214 389 E HA 0.221 4.571 4.350 -0.000 0.000 0.274 389 E C -0.693 175.906 176.600 -0.002 0.000 0.977 389 E CA -0.375 56.106 56.400 0.135 0.000 0.827 389 E CB 1.309 31.124 29.700 0.192 0.000 1.130 389 E HN 0.024 nan 8.360 nan 0.000 0.394 390 E N 2.098 122.333 120.200 0.060 0.000 2.129 390 E HA 0.061 4.410 4.350 -0.000 0.000 0.283 390 E C 0.131 176.673 176.600 -0.098 0.000 1.080 390 E CA -0.216 56.168 56.400 -0.027 0.000 0.867 390 E CB 0.761 30.437 29.700 -0.040 0.000 1.056 390 E HN 0.310 nan 8.360 nan 0.000 0.404 391 V N 5.283 125.097 119.914 -0.167 0.000 2.599 391 V HA -0.063 4.057 4.120 -0.000 0.000 0.245 391 V C 0.828 177.034 176.094 0.186 0.000 1.046 391 V CA 0.472 62.635 62.300 -0.230 0.000 1.065 391 V CB -0.696 30.946 31.823 -0.302 0.000 0.703 391 V HN 0.960 nan 8.190 nan 0.000 0.464 392 F N 0.735 120.703 119.950 0.029 0.000 3.080 392 F HA -0.123 4.404 4.527 -0.000 0.000 0.292 392 F C 0.608 176.574 175.800 0.277 0.000 0.891 392 F CA 0.659 58.764 58.000 0.175 0.000 1.086 392 F CB -1.083 38.087 39.000 0.283 0.000 1.095 392 F HN 0.255 nan 8.300 nan 0.000 0.633 393 G N -0.308 108.573 108.800 0.136 0.000 3.022 393 G HA2 0.689 4.649 3.960 -0.000 0.000 0.284 393 G HA3 0.689 4.649 3.960 -0.000 0.000 0.284 393 G C -3.003 171.969 174.900 0.120 0.000 1.375 393 G CA -0.741 44.415 45.100 0.094 0.000 0.902 393 G HN -0.102 nan 8.290 nan 0.000 0.538 394 P HA 0.361 nan 4.420 nan 0.000 0.225 394 P C -0.857 176.720 177.300 0.462 0.000 1.813 394 P CA -0.134 63.200 63.100 0.390 0.000 1.013 394 P CB 0.433 32.371 31.700 0.398 0.000 1.961 395 V N 2.458 122.537 119.914 0.274 0.000 2.733 395 V HA 0.397 4.517 4.120 -0.000 0.000 0.306 395 V C 0.237 176.372 176.094 0.069 0.000 1.084 395 V CA -0.957 61.473 62.300 0.216 0.000 0.905 395 V CB 2.618 34.523 31.823 0.137 0.000 1.010 395 V HN 0.232 nan 8.190 nan 0.000 0.424 396 V N 1.403 121.359 119.914 0.070 0.000 2.864 396 V HA 0.976 5.096 4.120 -0.000 0.000 0.314 396 V C -0.046 176.076 176.094 0.047 0.000 1.073 396 V CA -0.429 61.865 62.300 -0.009 0.000 0.956 396 V CB 2.084 33.850 31.823 -0.095 0.000 1.023 396 V HN 0.960 nan 8.190 nan 0.000 0.435 397 T N 0.549 115.123 114.554 0.033 0.000 2.925 397 T HA 0.817 5.167 4.350 -0.000 0.000 0.285 397 T C -0.538 174.198 174.700 0.059 0.000 1.021 397 T CA -0.738 61.393 62.100 0.052 0.000 1.042 397 T CB 1.625 70.521 68.868 0.047 0.000 1.037 397 T HN 0.999 nan 8.240 nan 0.000 0.481 398 V N 1.982 121.941 119.914 0.075 0.000 2.444 398 V HA 0.522 4.642 4.120 -0.000 0.000 0.294 398 V C -0.307 175.826 176.094 0.066 0.000 1.022 398 V CA -0.755 61.597 62.300 0.086 0.000 0.850 398 V CB 1.327 33.237 31.823 0.144 0.000 0.992 398 V HN 0.992 nan 8.190 nan 0.000 0.426 399 E N 2.079 122.310 120.200 0.053 0.000 2.256 399 E HA 0.694 5.043 4.350 -0.000 0.000 0.267 399 E C 0.019 176.646 176.600 0.045 0.000 0.892 399 E CA -0.602 55.830 56.400 0.053 0.000 0.775 399 E CB 2.526 32.262 29.700 0.061 0.000 1.207 399 E HN 0.828 nan 8.360 nan 0.000 0.420 400 G N 1.241 110.059 108.800 0.031 0.000 2.437 400 G HA2 0.617 4.577 3.960 -0.000 0.000 0.319 400 G HA3 0.617 4.577 3.960 -0.000 0.000 0.319 400 G C -1.079 173.862 174.900 0.067 0.000 1.158 400 G CA -0.422 44.659 45.100 -0.031 0.000 0.899 400 G HN 0.388 nan 8.290 nan 0.000 0.502 401 F N -0.938 118.970 119.950 -0.069 0.000 2.619 401 F HA 0.689 5.216 4.527 -0.001 0.000 0.308 401 F C 0.384 176.157 175.800 -0.046 0.000 1.097 401 F CA -1.347 56.615 58.000 -0.064 0.000 0.953 401 F CB 2.182 41.120 39.000 -0.102 0.000 1.287 401 F HN 0.498 nan 8.300 nan 0.000 0.446 402 E N 0.989 121.312 120.200 0.206 0.000 2.102 402 E HA 0.141 4.491 4.350 -0.000 0.000 0.190 402 E C 0.428 177.172 176.600 0.241 0.000 0.971 402 E CA 1.566 58.035 56.400 0.115 0.000 0.821 402 E CB 0.241 29.993 29.700 0.088 0.000 0.777 402 E HN 0.847 nan 8.360 nan 0.000 0.460 403 T N -2.948 111.821 114.554 0.359 0.000 2.916 403 T HA 0.313 4.662 4.350 -0.000 0.000 0.292 403 T C 0.865 175.759 174.700 0.324 0.000 1.064 403 T CA -0.409 61.885 62.100 0.324 0.000 1.011 403 T CB 1.366 70.338 68.868 0.174 0.000 1.152 403 T HN 0.075 nan 8.240 nan 0.000 0.510 404 E N 0.197 120.599 120.200 0.337 0.000 2.097 404 E HA -0.305 4.045 4.350 -0.000 0.000 0.196 404 E C 1.765 178.399 176.600 0.056 0.000 1.000 404 E CA 1.806 58.374 56.400 0.280 0.000 0.804 404 E CB -0.095 29.733 29.700 0.214 0.000 0.740 404 E HN 0.672 nan 8.360 nan 0.000 0.454 405 Q N 0.415 120.247 119.800 0.053 0.000 2.124 405 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 405 Q C 1.908 177.893 176.000 -0.025 0.000 0.977 405 Q CA 1.740 57.550 55.803 0.010 0.000 0.850 405 Q CB -0.149 28.605 28.738 0.026 0.000 0.901 405 Q HN 0.396 nan 8.270 nan 0.000 0.429 406 E N -0.221 119.972 120.200 -0.013 0.000 2.107 406 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 406 E C 1.815 178.315 176.600 -0.166 0.000 0.982 406 E CA 0.763 57.146 56.400 -0.028 0.000 0.809 406 E CB -0.078 29.663 29.700 0.069 0.000 0.756 406 E HN 0.342 nan 8.360 nan 0.000 0.459 407 A N 1.231 123.785 122.820 -0.443 0.000 1.883 407 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 407 A C 2.139 179.495 177.584 -0.380 0.000 1.186 407 A CA 1.526 53.075 52.037 -0.812 0.000 0.624 407 A CB -0.676 17.407 19.000 -1.530 0.000 0.822 407 A HN 0.336 nan 8.150 nan 0.000 0.444 408 I N -0.626 119.806 120.570 -0.230 0.000 2.252 408 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 408 I C 2.801 178.854 176.117 -0.106 0.000 1.102 408 I CA 1.530 62.748 61.300 -0.136 0.000 1.385 408 I CB -0.469 37.482 38.000 -0.082 0.000 1.064 408 I HN 0.436 nan 8.210 nan 0.000 0.414 409 Q N 0.464 120.212 119.800 -0.087 0.000 2.124 409 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 409 Q C 2.389 178.358 176.000 -0.051 0.000 0.977 409 Q CA 1.375 57.145 55.803 -0.055 0.000 0.850 409 Q CB -0.143 28.575 28.738 -0.033 0.000 0.901 409 Q HN 0.534 nan 8.270 nan 0.000 0.429 410 L N 0.023 121.206 121.223 -0.066 0.000 2.044 410 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 410 L C 2.542 179.385 176.870 -0.045 0.000 1.075 410 L CA 0.889 55.703 54.840 -0.043 0.000 0.747 410 L CB -0.586 41.451 42.059 -0.037 0.000 0.903 410 L HN 0.199 nan 8.230 nan 0.000 0.435 411 A N 0.221 122.993 122.820 -0.080 0.000 1.940 411 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 411 A C 1.913 179.465 177.584 -0.054 0.000 1.176 411 A CA 2.183 54.180 52.037 -0.067 0.000 0.631 411 A CB -0.827 18.114 19.000 -0.098 0.000 0.814 411 A HN 0.551 nan 8.150 nan 0.000 0.446 412 N N -0.614 118.049 118.700 -0.061 0.000 2.467 412 N HA -0.040 4.700 4.740 -0.000 0.000 0.184 412 N C -0.134 175.360 175.510 -0.026 0.000 1.106 412 N CA 0.301 53.318 53.050 -0.055 0.000 0.892 412 N CB 0.078 38.527 38.487 -0.062 0.000 0.969 412 N HN 0.316 nan 8.380 nan 0.000 0.454 413 D N 1.156 121.547 120.400 -0.015 0.000 2.619 413 D HA 0.080 4.719 4.640 -0.000 0.000 0.224 413 D C -0.736 175.575 176.300 0.019 0.000 1.133 413 D CA -0.136 53.864 54.000 -0.000 0.000 1.017 413 D CB -0.267 40.535 40.800 0.002 0.000 1.077 413 D HN 0.142 nan 8.370 nan 0.000 0.503 414 S N 0.776 116.490 115.700 0.023 0.000 2.615 414 S HA 0.262 4.732 4.470 -0.000 0.000 0.269 414 S C 0.874 175.477 174.600 0.005 0.000 1.161 414 S CA -0.903 57.327 58.200 0.050 0.000 0.817 414 S CB 0.323 63.599 63.200 0.127 0.000 1.131 414 S HN 0.187 nan 8.310 nan 0.000 0.467 415 I N -1.175 119.354 120.570 -0.067 0.000 3.428 415 I HA 0.336 4.506 4.170 -0.000 0.000 0.286 415 I C -0.321 175.656 176.117 -0.233 0.000 1.287 415 I CA 0.002 61.185 61.300 -0.195 0.000 1.396 415 I CB -0.392 37.407 38.000 -0.334 0.000 1.062 415 I HN 0.476 nan 8.210 nan 0.000 0.471 416 Y N 1.502 121.806 120.300 0.007 0.000 2.496 416 Y HA 0.700 5.250 4.550 -0.000 0.000 0.325 416 Y C 1.101 176.986 175.900 -0.024 0.000 1.271 416 Y CA -0.574 57.528 58.100 0.002 0.000 1.368 416 Y CB 1.446 39.912 38.460 0.011 0.000 1.415 416 Y HN -0.057 nan 8.280 nan 0.000 0.527 417 G N 0.290 109.187 108.800 0.162 0.000 5.312 417 G HA2 0.178 4.138 3.960 -0.000 0.000 0.204 417 G HA3 0.178 4.138 3.960 -0.000 0.000 0.204 417 G C -0.352 174.498 174.900 -0.084 0.000 1.097 417 G CA -0.181 44.918 45.100 -0.002 0.000 0.621 417 G HN 0.506 nan 8.290 nan 0.000 0.290 418 L N 0.479 121.629 121.223 -0.121 0.000 2.187 418 L HA 0.870 5.210 4.340 -0.000 0.000 0.197 418 L C 1.018 177.593 176.870 -0.491 0.000 1.090 418 L CA 1.820 56.495 54.840 -0.274 0.000 0.781 418 L CB 0.167 42.118 42.059 -0.180 0.000 0.956 418 L HN 0.465 nan 8.230 nan 0.000 0.463 419 A N -2.255 120.328 122.820 -0.394 0.000 2.609 419 A HA 0.786 5.106 4.320 -0.000 0.000 0.291 419 A C -0.643 176.706 177.584 -0.392 0.000 1.096 419 A CA -0.016 51.675 52.037 -0.576 0.000 0.684 419 A CB 1.001 19.645 19.000 -0.595 0.000 1.282 419 A HN 0.509 nan 8.150 nan 0.000 0.412 420 G N -1.532 106.938 108.800 -0.550 0.000 2.451 420 G HA2 0.808 4.768 3.960 -0.000 0.000 0.292 420 G HA3 0.808 4.768 3.960 -0.000 0.000 0.292 420 G C -1.010 173.820 174.900 -0.116 0.000 1.427 420 G CA 0.399 45.398 45.100 -0.169 0.000 0.792 420 G HN 2.104 nan 8.290 nan 0.000 0.498 421 A N -0.976 121.958 122.820 0.190 0.000 2.469 421 A HA 0.894 5.214 4.320 -0.000 0.000 0.299 421 A C -1.191 176.516 177.584 0.206 0.000 1.098 421 A CA -0.695 51.496 52.037 0.256 0.000 0.737 421 A CB 2.123 21.481 19.000 0.595 0.000 1.312 421 A HN 1.626 nan 8.150 nan 0.000 0.414 422 V N 1.022 120.986 119.914 0.082 0.000 2.483 422 V HA 0.478 4.598 4.120 -0.000 0.000 0.297 422 V C -1.373 174.727 176.094 0.010 0.000 1.027 422 V CA -0.190 62.196 62.300 0.144 0.000 0.855 422 V CB 1.062 32.961 31.823 0.127 0.000 0.995 422 V HN 0.700 nan 8.190 nan 0.000 0.424 423 F N 2.986 123.071 119.950 0.225 0.000 2.388 423 F HA 0.739 5.266 4.527 -0.000 0.000 0.358 423 F C 0.467 176.425 175.800 0.262 0.000 1.122 423 F CA -0.056 58.060 58.000 0.195 0.000 1.056 423 F CB 1.910 40.991 39.000 0.136 0.000 1.155 423 F HN 0.510 nan 8.300 nan 0.000 0.461 424 S N 2.628 118.490 115.700 0.270 0.000 2.556 424 S HA 0.264 4.734 4.470 -0.000 0.000 0.280 424 S C 0.030 174.688 174.600 0.096 0.000 1.141 424 S CA -0.845 57.468 58.200 0.189 0.000 0.883 424 S CB 1.295 64.512 63.200 0.029 0.000 1.103 424 S HN 0.705 nan 8.310 nan 0.000 0.453 425 K N 1.060 121.515 120.400 0.091 0.000 2.418 425 K HA 0.039 4.358 4.320 -0.000 0.000 0.195 425 K C -0.069 176.541 176.600 0.016 0.000 1.035 425 K CA 0.260 56.583 56.287 0.060 0.000 1.003 425 K CB 0.036 32.580 32.500 0.073 0.000 0.793 425 K HN 0.493 nan 8.250 nan 0.000 0.494 426 D N 1.594 121.984 120.400 -0.017 0.000 2.435 426 D HA 0.002 4.641 4.640 -0.000 0.000 0.230 426 D C 0.994 177.253 176.300 -0.068 0.000 1.215 426 D CA -0.133 53.835 54.000 -0.054 0.000 0.947 426 D CB 0.395 41.137 40.800 -0.098 0.000 1.048 426 D HN -0.101 nan 8.370 nan 0.000 0.512 427 I N 2.893 123.438 120.570 -0.041 0.000 2.394 427 I HA -0.081 4.088 4.170 -0.000 0.000 0.251 427 I C 2.348 178.434 176.117 -0.053 0.000 1.136 427 I CA 0.673 61.949 61.300 -0.040 0.000 1.425 427 I CB -1.418 36.569 38.000 -0.021 0.000 1.079 427 I HN 0.433 nan 8.210 nan 0.000 0.425 428 G N 1.118 109.885 108.800 -0.054 0.000 2.446 428 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.217 428 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.217 428 G C 1.821 176.672 174.900 -0.081 0.000 1.168 428 G CA 1.028 46.094 45.100 -0.057 0.000 0.771 428 G HN 0.375 nan 8.290 nan 0.000 0.551 429 K N 0.530 120.857 120.400 -0.123 0.000 2.057 429 K HA 0.085 4.404 4.320 -0.000 0.000 0.206 429 K C 2.807 179.299 176.600 -0.179 0.000 1.050 429 K CA 1.253 57.427 56.287 -0.189 0.000 0.935 429 K CB -0.345 31.961 32.500 -0.324 0.000 0.715 429 K HN 0.196 nan 8.250 nan 0.000 0.439 430 A N 1.096 123.826 122.820 -0.149 0.000 1.940 430 A HA -0.201 4.118 4.320 -0.000 0.000 0.219 430 A C 2.104 179.654 177.584 -0.058 0.000 1.176 430 A CA 1.392 53.380 52.037 -0.080 0.000 0.631 430 A CB -0.513 18.456 19.000 -0.052 0.000 0.814 430 A HN 0.394 nan 8.150 nan 0.000 0.446 431 Q N -0.473 119.291 119.800 -0.060 0.000 2.119 431 Q HA -0.130 4.210 4.340 -0.000 0.000 0.201 431 Q C 2.309 178.279 176.000 -0.050 0.000 0.972 431 Q CA 1.293 57.066 55.803 -0.049 0.000 0.847 431 Q CB -0.295 28.418 28.738 -0.041 0.000 0.903 431 Q HN 0.691 nan 8.270 nan 0.000 0.433 432 R N -0.307 120.160 120.500 -0.054 0.000 2.091 432 R HA -0.104 4.235 4.340 -0.000 0.000 0.238 432 R C 2.393 178.667 176.300 -0.042 0.000 1.136 432 R CA 1.383 57.455 56.100 -0.047 0.000 0.959 432 R CB -0.383 29.887 30.300 -0.050 0.000 0.856 432 R HN 0.082 nan 8.270 nan 0.000 0.437 433 V N 1.020 120.913 119.914 -0.036 0.000 2.307 433 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 433 V C 2.498 178.564 176.094 -0.047 0.000 1.045 433 V CA 1.928 64.219 62.300 -0.016 0.000 1.024 433 V CB -0.767 31.090 31.823 0.057 0.000 0.651 433 V HN 0.401 nan 8.190 nan 0.000 0.449 434 A N 0.409 123.196 122.820 -0.055 0.000 1.940 434 A HA -0.254 4.065 4.320 -0.000 0.000 0.219 434 A C 2.046 179.573 177.584 -0.096 0.000 1.176 434 A CA 2.105 54.090 52.037 -0.087 0.000 0.631 434 A CB -0.687 18.263 19.000 -0.082 0.000 0.814 434 A HN 0.601 nan 8.150 nan 0.000 0.446 435 N N -0.283 118.375 118.700 -0.070 0.000 2.309 435 N HA -0.080 4.660 4.740 -0.000 0.000 0.182 435 N C 1.355 176.825 175.510 -0.066 0.000 1.018 435 N CA 1.162 54.176 53.050 -0.061 0.000 0.876 435 N CB -0.167 38.295 38.487 -0.042 0.000 0.972 435 N HN 0.581 nan 8.380 nan 0.000 0.434 436 K N 0.158 120.516 120.400 -0.070 0.000 2.379 436 K HA 0.195 4.515 4.320 -0.000 0.000 0.194 436 K C 0.242 176.776 176.600 -0.110 0.000 1.031 436 K CA -0.047 56.197 56.287 -0.072 0.000 1.037 436 K CB 0.448 32.916 32.500 -0.054 0.000 0.824 436 K HN 0.066 nan 8.250 nan 0.000 0.516 437 L N 2.098 123.231 121.223 -0.149 0.000 2.367 437 L HA 0.113 4.453 4.340 -0.000 0.000 0.275 437 L C 0.117 176.780 176.870 -0.345 0.000 1.129 437 L CA -0.106 54.609 54.840 -0.209 0.000 0.839 437 L CB 0.621 42.554 42.059 -0.209 0.000 1.133 437 L HN -0.094 nan 8.230 nan 0.000 0.453 438 K N 6.037 126.207 120.400 -0.384 0.000 2.307 438 K HA 0.444 4.763 4.320 -0.000 0.000 0.240 438 K C -0.998 175.022 176.600 -0.966 0.000 1.214 438 K CA 0.071 55.943 56.287 -0.693 0.000 1.149 438 K CB -0.063 32.269 32.500 -0.279 0.000 1.668 438 K HN 0.438 nan 8.250 nan 0.000 0.314 439 L N -0.899 119.640 121.223 -1.140 0.000 2.445 439 L HA 0.315 4.655 4.340 -0.000 0.000 0.262 439 L C 1.320 177.828 176.870 -0.605 0.000 0.974 439 L CA -0.889 53.513 54.840 -0.731 0.000 0.822 439 L CB 1.956 43.724 42.059 -0.485 0.000 1.339 439 L HN 0.425 nan 8.230 nan 0.000 0.409 440 G N 0.621 109.237 108.800 -0.307 0.000 2.443 440 G HA2 -0.020 3.939 3.960 -0.000 0.000 0.219 440 G HA3 -0.020 3.939 3.960 -0.000 0.000 0.219 440 G C 0.425 175.113 174.900 -0.354 0.000 1.131 440 G CA 0.714 45.710 45.100 -0.173 0.000 0.775 440 G HN 0.498 nan 8.290 nan 0.000 0.547 441 T N -0.335 113.881 114.554 -0.562 0.000 2.921 441 T HA 0.525 4.875 4.350 -0.000 0.000 0.297 441 T C -1.165 173.063 174.700 -0.786 0.000 1.013 441 T CA -0.422 61.291 62.100 -0.645 0.000 0.990 441 T CB 2.780 71.199 68.868 -0.748 0.000 1.023 441 T HN -0.083 nan 8.240 nan 0.000 0.447 442 V N 3.333 122.860 119.914 -0.644 0.000 2.483 442 V HA 0.489 4.609 4.120 -0.000 0.000 0.297 442 V C -0.859 174.962 176.094 -0.455 0.000 1.027 442 V CA -1.030 60.940 62.300 -0.550 0.000 0.855 442 V CB 1.612 33.251 31.823 -0.306 0.000 0.995 442 V HN 0.782 nan 8.190 nan 0.000 0.424 443 W N 4.884 126.077 121.300 -0.179 0.000 2.390 443 W HA 0.612 5.272 4.660 -0.001 0.000 0.312 443 W C -0.399 175.992 176.519 -0.213 0.000 1.123 443 W CA -1.052 56.185 57.345 -0.181 0.000 1.202 443 W CB 1.365 30.690 29.460 -0.225 0.000 1.251 443 W HN 0.398 nan 8.180 nan 0.000 0.511 444 I N 4.916 125.496 120.570 0.016 0.000 2.312 444 I HA 0.065 4.235 4.170 -0.000 0.000 0.290 444 I C 0.254 176.241 176.117 -0.216 0.000 1.008 444 I CA -0.489 60.745 61.300 -0.109 0.000 1.226 444 I CB 0.523 38.487 38.000 -0.060 0.000 1.371 444 I HN 0.412 nan 8.210 nan 0.000 0.468 445 N N 3.996 122.367 118.700 -0.548 0.000 2.740 445 N HA -0.207 4.533 4.740 -0.000 0.000 0.248 445 N C -0.725 174.544 175.510 -0.401 0.000 1.062 445 N CA 1.008 53.647 53.050 -0.684 0.000 0.704 445 N CB -0.827 37.552 38.487 -0.180 0.000 0.968 445 N HN 0.699 nan 8.380 nan 0.000 0.547 446 D N -1.326 118.801 120.400 -0.456 0.000 2.692 446 D HA 0.614 5.254 4.640 -0.000 0.000 0.290 446 D C -1.505 174.789 176.300 -0.010 0.000 1.281 446 D CA -0.325 53.635 54.000 -0.067 0.000 0.804 446 D CB 1.170 41.913 40.800 -0.094 0.000 1.331 446 D HN -0.073 nan 8.370 nan 0.000 0.432 447 F N 1.316 121.075 119.950 -0.318 0.000 2.604 447 F HA 0.345 4.872 4.527 -0.000 0.000 0.316 447 F C 0.458 175.657 175.800 -1.001 0.000 1.136 447 F CA -0.214 57.371 58.000 -0.692 0.000 0.989 447 F CB 1.074 39.892 39.000 -0.304 0.000 1.258 447 F HN 0.545 nan 8.300 nan 0.000 0.451 448 H N 0.010 117.884 119.070 -1.992 0.000 4.345 448 H HA -0.106 4.450 4.556 -0.001 0.000 0.114 448 H C -2.248 172.703 175.328 -0.628 0.000 0.634 448 H CA 0.920 56.402 56.048 -0.943 0.000 1.188 448 H CB -2.227 27.420 29.762 -0.192 0.000 0.541 448 H HN 0.304 nan 8.280 nan 0.000 0.669 449 P HA 0.130 nan 4.420 nan 0.000 0.263 449 P C -0.478 176.911 177.300 0.149 0.000 1.195 449 P CA 0.812 63.825 63.100 -0.145 0.000 0.762 449 P CB -0.081 31.628 31.700 0.014 0.000 0.799 450 Y N 2.527 122.840 120.300 0.022 0.000 2.562 450 Y HA 0.825 5.375 4.550 0.000 0.000 0.345 450 Y C -0.909 174.873 175.900 -0.198 0.000 1.045 450 Y CA -1.972 55.979 58.100 -0.249 0.000 1.028 450 Y CB 1.097 39.281 38.460 -0.461 0.000 1.297 450 Y HN 0.323 nan 8.280 nan 0.000 0.463 451 F N -1.561 118.451 119.950 0.103 0.000 2.719 451 F HA 0.778 5.306 4.527 0.001 0.000 0.309 451 F C 0.482 176.141 175.800 -0.236 0.000 1.138 451 F CA -1.412 56.566 58.000 -0.037 0.000 0.943 451 F CB 0.984 39.951 39.000 -0.056 0.000 1.304 451 F HN 0.674 nan 8.300 nan 0.000 0.445 452 A N 0.102 122.865 122.820 -0.096 0.000 2.024 452 A HA -0.140 4.179 4.320 -0.000 0.000 0.220 452 A C 1.634 178.616 177.584 -1.004 0.000 1.164 452 A CA 2.001 53.695 52.037 -0.571 0.000 0.643 452 A CB -0.808 17.828 19.000 -0.606 0.000 0.806 452 A HN 0.837 nan 8.150 nan 0.000 0.451 453 Q N -0.673 118.814 119.800 -0.522 0.000 2.369 453 Q HA 0.319 4.659 4.340 -0.000 0.000 0.206 453 Q C 0.598 176.537 176.000 -0.102 0.000 0.963 453 Q CA 1.036 56.599 55.803 -0.399 0.000 0.894 453 Q CB -0.178 28.544 28.738 -0.027 0.000 0.965 453 Q HN 0.637 nan 8.270 nan 0.000 0.475 454 A N 1.155 123.938 122.820 -0.062 0.000 2.371 454 A HA 0.597 4.916 4.320 -0.000 0.000 0.311 454 A C -2.628 174.878 177.584 -0.129 0.000 1.068 454 A CA -1.926 50.067 52.037 -0.073 0.000 0.744 454 A CB 0.979 19.909 19.000 -0.118 0.000 1.239 454 A HN -0.097 nan 8.150 nan 0.000 0.435 455 P HA 0.089 nan 4.420 nan 0.000 0.271 455 P C -0.840 176.461 177.300 0.001 0.000 1.216 455 P CA 0.069 63.148 63.100 -0.035 0.000 0.776 455 P CB 0.686 32.376 31.700 -0.016 0.000 0.881 456 W N 3.465 124.645 121.300 -0.199 0.000 2.683 456 W HA 0.564 5.223 4.660 -0.001 0.000 0.329 456 W C -0.954 175.518 176.519 -0.078 0.000 1.037 456 W CA -0.002 57.241 57.345 -0.170 0.000 1.232 456 W CB 2.487 31.781 29.460 -0.277 0.000 1.390 456 W HN 0.741 nan 8.180 nan 0.000 0.465 457 G N 1.847 110.318 108.800 -0.548 0.000 2.322 457 G HA2 0.431 4.391 3.960 -0.000 0.000 0.295 457 G HA3 0.431 4.391 3.960 -0.000 0.000 0.295 457 G C -1.563 173.145 174.900 -0.320 0.000 1.369 457 G CA -0.272 44.637 45.100 -0.319 0.000 0.821 457 G HN 0.698 nan 8.290 nan 0.000 0.536 458 G N -1.382 107.335 108.800 -0.138 0.000 2.453 458 G HA2 0.642 4.601 3.960 -0.000 0.000 0.323 458 G HA3 0.642 4.601 3.960 -0.000 0.000 0.323 458 G C -0.931 174.011 174.900 0.070 0.000 1.198 458 G CA -0.661 44.414 45.100 -0.042 0.000 0.959 458 G HN 0.535 nan 8.290 nan 0.000 0.482 459 Y N 0.775 121.008 120.300 -0.112 0.000 2.298 459 Y HA 0.326 4.876 4.550 -0.001 0.000 0.329 459 Y C 1.386 177.258 175.900 -0.047 0.000 1.293 459 Y CA -0.010 58.043 58.100 -0.080 0.000 1.388 459 Y CB 1.023 39.433 38.460 -0.085 0.000 1.309 459 Y HN 0.780 nan 8.280 nan 0.000 0.544 460 K N -0.567 119.896 120.400 0.104 0.000 1.844 460 K HA -0.364 3.956 4.320 -0.000 0.000 0.160 460 K C 0.641 177.251 176.600 0.016 0.000 1.448 460 K CA 1.800 58.114 56.287 0.045 0.000 0.446 460 K CB -0.768 31.762 32.500 0.050 0.000 0.635 460 K HN 0.740 nan 8.250 nan 0.000 0.848 461 Q N 0.495 120.279 119.800 -0.026 0.000 2.444 461 Q HA 0.094 4.433 4.340 -0.000 0.000 0.206 461 Q C 1.121 177.166 176.000 0.075 0.000 0.948 461 Q CA 0.461 56.234 55.803 -0.049 0.000 0.946 461 Q CB 0.302 28.917 28.738 -0.205 0.000 1.027 461 Q HN 0.333 nan 8.270 nan 0.000 0.513 462 S N 0.013 115.810 115.700 0.161 0.000 2.522 462 S HA 0.129 4.599 4.470 -0.000 0.000 0.227 462 S C 0.648 175.322 174.600 0.122 0.000 0.986 462 S CA 0.575 58.908 58.200 0.222 0.000 0.929 462 S CB 0.362 63.667 63.200 0.174 0.000 0.769 462 S HN 0.607 nan 8.310 nan 0.000 0.529 463 G N 0.120 108.968 108.800 0.080 0.000 2.343 463 G HA2 0.353 4.313 3.960 -0.000 0.000 0.289 463 G HA3 0.353 4.313 3.960 -0.000 0.000 0.289 463 G C -2.048 172.867 174.900 0.025 0.000 1.295 463 G CA -0.997 44.142 45.100 0.065 0.000 0.869 463 G HN 0.141 nan 8.290 nan 0.000 0.522 464 I N 1.068 121.653 120.570 0.024 0.000 2.534 464 I HA 0.621 4.791 4.170 -0.000 0.000 0.288 464 I C 0.653 176.766 176.117 -0.006 0.000 1.077 464 I CA 0.402 61.698 61.300 -0.007 0.000 1.051 464 I CB 1.642 39.639 38.000 -0.006 0.000 1.234 464 I HN 1.950 nan 8.210 nan 0.000 0.425 465 G N 5.361 114.142 108.800 -0.031 0.000 2.698 465 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.225 465 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.225 465 G C -1.108 173.785 174.900 -0.010 0.000 1.345 465 G CA -0.896 44.189 45.100 -0.025 0.000 0.871 465 G HN 0.537 nan 8.290 nan 0.000 0.540 466 R N 0.159 120.666 120.500 0.011 0.000 2.795 466 R HA 0.637 4.977 4.340 -0.000 0.000 0.275 466 R C -0.382 175.968 176.300 0.084 0.000 0.981 466 R CA -0.720 55.401 56.100 0.035 0.000 0.917 466 R CB 1.782 32.089 30.300 0.012 0.000 1.202 466 R HN 0.759 nan 8.270 nan 0.000 0.469 467 E N 1.655 121.921 120.200 0.110 0.000 2.244 467 E HA 0.594 4.944 4.350 -0.000 0.000 0.266 467 E C -0.371 176.200 176.600 -0.047 0.000 0.914 467 E CA -0.882 55.574 56.400 0.092 0.000 0.794 467 E CB 1.919 31.734 29.700 0.190 0.000 1.210 467 E HN 0.352 nan 8.360 nan 0.000 0.414 468 L N -0.026 121.184 121.223 -0.022 0.000 0.585 468 L HA -0.258 4.082 4.340 -0.000 0.000 0.356 468 L C 0.591 177.485 176.870 0.040 0.000 0.963 468 L CA 0.728 55.540 54.840 -0.047 0.000 1.223 468 L CB -1.372 40.411 42.059 -0.461 0.000 0.011 468 L HN 1.010 nan 8.230 nan 0.000 0.091 469 G N 0.431 109.162 108.800 -0.116 0.000 2.752 469 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.234 469 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.234 469 G C 0.281 175.326 174.900 0.242 0.000 1.367 469 G CA 0.508 45.595 45.100 -0.022 0.000 0.879 469 G HN 0.905 nan 8.290 nan 0.000 0.563 470 K N 0.048 120.576 120.400 0.213 0.000 2.057 470 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 470 K C 2.434 179.140 176.600 0.176 0.000 1.049 470 K CA 1.841 58.248 56.287 0.200 0.000 0.931 470 K CB -0.131 32.446 32.500 0.129 0.000 0.714 470 K HN 0.618 nan 8.250 nan 0.000 0.440 471 E N -0.072 120.202 120.200 0.124 0.000 2.110 471 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 471 E C 2.136 178.813 176.600 0.128 0.000 0.988 471 E CA 0.988 57.444 56.400 0.093 0.000 0.804 471 E CB -0.122 29.606 29.700 0.046 0.000 0.745 471 E HN 0.467 nan 8.360 nan 0.000 0.458 472 G N 1.351 110.262 108.800 0.185 0.000 2.418 472 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 472 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 472 G C 1.561 176.629 174.900 0.280 0.000 1.158 472 G CA 0.482 45.718 45.100 0.227 0.000 0.771 472 G HN 0.168 nan 8.290 nan 0.000 0.545 473 L N 0.535 121.977 121.223 0.366 0.000 2.083 473 L HA 0.015 4.354 4.340 -0.000 0.000 0.209 473 L C 2.644 179.662 176.870 0.247 0.000 1.083 473 L CA 1.955 56.983 54.840 0.313 0.000 0.752 473 L CB -0.370 41.909 42.059 0.367 0.000 0.899 473 L HN 0.329 nan 8.230 nan 0.000 0.433 474 E N -0.667 119.639 120.200 0.177 0.000 2.265 474 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 474 E C 1.868 178.499 176.600 0.052 0.000 0.996 474 E CA 0.869 57.331 56.400 0.104 0.000 0.832 474 E CB -0.059 29.682 29.700 0.069 0.000 0.756 474 E HN 0.536 nan 8.360 nan 0.000 0.491 475 E N -0.049 120.169 120.200 0.029 0.000 2.204 475 E HA -0.170 4.179 4.350 -0.000 0.000 0.195 475 E C 0.905 177.316 176.600 -0.315 0.000 0.990 475 E CA 1.020 57.325 56.400 -0.159 0.000 0.821 475 E CB -0.066 29.482 29.700 -0.253 0.000 0.750 475 E HN 0.500 nan 8.360 nan 0.000 0.477 476 Y N -0.133 120.172 120.300 0.009 0.000 2.493 476 Y HA 0.247 4.797 4.550 -0.000 0.000 0.275 476 Y C 0.780 176.697 175.900 0.028 0.000 1.183 476 Y CA -0.036 58.069 58.100 0.009 0.000 1.258 476 Y CB 0.421 38.878 38.460 -0.005 0.000 1.108 476 Y HN -0.153 nan 8.280 nan 0.000 0.521 477 L N -0.416 120.864 121.223 0.096 0.000 2.323 477 L HA 0.722 5.062 4.340 -0.000 0.000 0.265 477 L C -1.023 175.871 176.870 0.040 0.000 1.012 477 L CA -1.250 53.639 54.840 0.083 0.000 0.820 477 L CB 2.565 44.674 42.059 0.084 0.000 1.334 477 L HN -0.317 nan 8.230 nan 0.000 0.427 478 V N 0.492 120.435 119.914 0.047 0.000 2.789 478 V HA 0.526 4.646 4.120 -0.000 0.000 0.311 478 V C -0.532 175.586 176.094 0.040 0.000 1.073 478 V CA -0.188 62.131 62.300 0.032 0.000 0.921 478 V CB 2.498 34.338 31.823 0.028 0.000 1.009 478 V HN 0.794 nan 8.190 nan 0.000 0.426 479 S N 5.591 121.310 115.700 0.031 0.000 2.525 479 S HA 0.520 4.989 4.470 -0.000 0.000 0.278 479 S C -0.578 174.050 174.600 0.047 0.000 1.234 479 S CA -0.432 57.789 58.200 0.036 0.000 1.058 479 S CB 0.962 64.175 63.200 0.023 0.000 0.983 479 S HN 0.712 nan 8.310 nan 0.000 0.495 480 K N 2.245 122.680 120.400 0.059 0.000 2.463 480 K HA 0.212 4.532 4.320 -0.000 0.000 0.255 480 K C -1.103 175.568 176.600 0.119 0.000 0.942 480 K CA -0.513 55.818 56.287 0.074 0.000 0.814 480 K CB 0.869 33.403 32.500 0.056 0.000 1.122 480 K HN 0.862 nan 8.250 nan 0.000 0.425 481 H N 6.471 125.544 119.070 0.006 0.000 2.782 481 H HA 0.236 4.792 4.556 -0.000 0.000 0.285 481 H C -0.693 174.637 175.328 0.003 0.000 1.093 481 H CA -0.571 55.480 56.048 0.003 0.000 1.410 481 H CB 0.445 30.207 29.762 0.001 0.000 1.439 481 H HN 0.481 nan 8.280 nan 0.000 0.469 482 I N 7.506 128.093 120.570 0.028 0.000 2.312 482 I HA 0.140 4.310 4.170 -0.000 0.000 0.290 482 I C -0.501 175.514 176.117 -0.170 0.000 1.008 482 I CA -0.464 60.776 61.300 -0.100 0.000 1.226 482 I CB 1.566 39.555 38.000 -0.019 0.000 1.371 482 I HN 0.445 nan 8.210 nan 0.000 0.468 483 L N 6.718 127.761 121.223 -0.299 0.000 2.319 483 L HA 0.526 4.866 4.340 -0.000 0.000 0.281 483 L C -0.665 176.141 176.870 -0.106 0.000 1.005 483 L CA -0.071 54.635 54.840 -0.224 0.000 0.828 483 L CB 1.504 43.343 42.059 -0.365 0.000 1.227 483 L HN 0.528 nan 8.230 nan 0.000 0.415 484 T N 3.160 117.686 114.554 -0.047 0.000 2.771 484 T HA 0.249 4.599 4.350 -0.000 0.000 0.281 484 T C -0.178 174.513 174.700 -0.016 0.000 0.982 484 T CA -0.439 61.644 62.100 -0.029 0.000 0.978 484 T CB 0.860 69.719 68.868 -0.015 0.000 0.930 484 T HN 0.471 nan 8.240 nan 0.000 0.447 485 N N 2.458 121.149 118.700 -0.016 0.000 2.401 485 N HA 0.050 4.789 4.740 -0.000 0.000 0.255 485 N C 1.233 176.742 175.510 -0.002 0.000 1.110 485 N CA -0.149 52.898 53.050 -0.006 0.000 0.949 485 N CB 1.126 39.610 38.487 -0.006 0.000 1.110 485 N HN 0.725 nan 8.380 nan 0.000 0.490 486 T N -0.050 114.505 114.554 0.002 0.000 3.129 486 T HA 0.070 4.420 4.350 -0.000 0.000 0.251 486 T C 0.530 175.232 174.700 0.004 0.000 1.117 486 T CA 0.027 62.129 62.100 0.003 0.000 1.034 486 T CB -0.083 68.788 68.868 0.004 0.000 0.968 486 T HN 0.403 nan 8.240 nan 0.000 0.526 487 N N 2.194 120.897 118.700 0.005 0.000 2.711 487 N HA 0.325 5.065 4.740 -0.000 0.000 0.263 487 N C -3.238 172.277 175.510 0.008 0.000 1.667 487 N CA -1.746 51.308 53.050 0.007 0.000 0.785 487 N CB 1.178 39.670 38.487 0.007 0.000 1.231 487 N HN 0.124 nan 8.380 nan 0.000 0.503 488 P HA 0.222 nan 4.420 nan 0.000 0.276 488 P C -0.841 176.467 177.300 0.013 0.000 1.235 488 P CA -0.030 63.075 63.100 0.009 0.000 0.772 488 P CB 1.077 32.781 31.700 0.007 0.000 0.871 489 Q N 1.652 121.463 119.800 0.017 0.000 2.387 489 Q HA 0.424 4.764 4.340 -0.000 0.000 0.273 489 Q C -0.297 175.721 176.000 0.030 0.000 1.089 489 Q CA -1.212 54.604 55.803 0.022 0.000 0.824 489 Q CB 1.662 30.413 28.738 0.021 0.000 1.367 489 Q HN 0.307 nan 8.270 nan 0.000 0.443 490 L N 0.966 122.209 121.223 0.034 0.000 2.456 490 L HA 0.016 4.356 4.340 -0.000 0.000 0.272 490 L C 1.432 178.336 176.870 0.058 0.000 1.189 490 L CA 0.482 55.350 54.840 0.048 0.000 0.846 490 L CB 0.303 42.392 42.059 0.049 0.000 1.111 490 L HN 0.525 nan 8.230 nan 0.000 0.475 491 V N 1.153 121.114 119.914 0.078 0.000 2.649 491 V HA -0.072 4.048 4.120 -0.000 0.000 0.248 491 V C 0.823 176.987 176.094 0.117 0.000 1.054 491 V CA 0.557 62.916 62.300 0.099 0.000 1.073 491 V CB -0.689 31.202 31.823 0.113 0.000 0.699 491 V HN 0.998 nan 8.190 nan 0.000 0.463 492 N N -0.859 117.915 118.700 0.125 0.000 2.740 492 N HA -0.241 4.498 4.740 -0.000 0.000 0.248 492 N C 0.549 176.118 175.510 0.099 0.000 1.062 492 N CA 1.023 54.136 53.050 0.106 0.000 0.704 492 N CB -1.356 37.163 38.487 0.054 0.000 0.968 492 N HN 0.797 nan 8.380 nan 0.000 0.547 493 W N 0.072 121.317 121.300 -0.093 0.000 2.443 493 W HA 0.039 4.699 4.660 -0.000 0.000 0.296 493 W C 0.060 176.371 176.519 -0.346 0.000 1.202 493 W CA 0.763 57.945 57.345 -0.272 0.000 1.312 493 W CB -0.089 29.106 29.460 -0.441 0.000 1.120 493 W HN 0.055 nan 8.180 nan 0.000 0.536 494 F N 1.954 122.090 119.950 0.309 0.000 2.394 494 F HA 0.205 4.732 4.527 -0.000 0.000 0.340 494 F C 1.148 176.992 175.800 0.074 0.000 1.105 494 F CA -0.381 57.733 58.000 0.190 0.000 1.124 494 F CB 0.817 39.936 39.000 0.199 0.000 1.145 494 F HN -0.419 nan 8.300 nan 0.000 0.505 495 S N 2.636 118.464 115.700 0.213 0.000 2.558 495 S HA 0.160 4.630 4.470 -0.000 0.000 0.287 495 S C 0.081 174.744 174.600 0.106 0.000 1.321 495 S CA -0.422 57.842 58.200 0.106 0.000 1.048 495 S CB 0.295 63.540 63.200 0.075 0.000 0.844 495 S HN 0.631 nan 8.310 nan 0.000 0.512 496 K N 0.000 120.439 120.400 0.065 0.000 2.780 496 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 496 K CA 0.000 56.319 56.287 0.054 0.000 0.838 496 K CB 0.000 32.532 32.500 0.053 0.000 1.064 496 K HN 0.000 nan 8.250 nan 0.000 0.543