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 1dl2_1_A DATA FIRST_RESID 34 DATA SEQUENCE GAGEMRDRIE SMFLESWRDY SKHGWGYDVY GPIEHTSHNM PRGNQPLGWI DATA SEQUENCE IVDSVDTLML MYNSSTLYKS EFEAEIQRSE HWINDVLDFD IDAEVNVFET DATA SEQUENCE TIRMLGGLLS AYHLSDVLEV GNKTVYLNKA IDLGDRLALA FLSTQTGIPY DATA SEQUENCE SSINLHSGQA VKNHADGGAS STAEFTTLQM EFKYLAYLTG NRTYWELVER DATA SEQUENCE VYEPLYKNND LLNTYDGLVP IYTFPDTGKF GASTIRFGSR GDSFYEYLLK DATA SEQUENCE QYLLTHETLY YDLYRKSMEG MKKHLLAQSK PSSLWYIGER EQGLHGQLSP DATA SEQUENCE KMDHLVcFMG GLLASGSTEG LSIHEARRRP FFSXXXXXKS DWDLAKGITD DATA SEQUENCE TcYQMYKQSS SGLAPEIVVF NDGNIKXDGW WRSSVGDFFV KPLDRHNLQR DATA SEQUENCE PETVESIMFM YHLSHDHKYR EWGAEIATSF FENTCVDCND PKLRRFTSLS DATA SEQUENCE DCITLPTKKS NNMESFWLAE TLKYLYILFL DEFDLTKVVF NTEAHPFPVL DATA SEQUENCE DEEILKSQSL TTGWSL 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 34 G HA2 0.000 nan 3.960 nan 0.000 0.244 34 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 34 G C 0.000 174.890 174.900 -0.016 0.000 0.946 34 G CA 0.000 45.107 45.100 0.011 0.000 0.502 35 A N 0.692 123.539 122.820 0.045 0.000 1.883 35 A HA 0.150 4.470 4.320 -0.000 0.000 0.217 35 A C 2.679 180.250 177.584 -0.022 0.000 1.186 35 A CA 3.086 55.160 52.037 0.062 0.000 0.624 35 A CB -0.971 18.101 19.000 0.120 0.000 0.822 35 A HN 1.865 nan 8.150 nan 0.000 0.444 36 G N -0.780 108.013 108.800 -0.011 0.000 2.442 36 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.219 36 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 36 G C 1.483 176.365 174.900 -0.031 0.000 1.141 36 G CA 1.183 46.273 45.100 -0.017 0.000 0.763 36 G HN 0.696 nan 8.290 nan 0.000 0.554 37 E N -0.660 119.508 120.200 -0.053 0.000 2.072 37 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 37 E C 2.373 178.902 176.600 -0.119 0.000 0.985 37 E CA 0.838 57.200 56.400 -0.062 0.000 0.801 37 E CB -0.143 29.519 29.700 -0.063 0.000 0.750 37 E HN 0.330 nan 8.360 nan 0.000 0.452 38 M N 0.374 119.824 119.600 -0.250 0.000 2.213 38 M HA -0.090 4.390 4.480 -0.000 0.000 0.263 38 M C 2.122 178.263 176.300 -0.264 0.000 1.062 38 M CA 1.246 56.270 55.300 -0.460 0.000 1.105 38 M CB -0.036 31.849 32.600 -1.192 0.000 1.385 38 M HN -0.077 nan 8.290 nan 0.000 0.417 39 R N 0.399 120.821 120.500 -0.129 0.000 2.073 39 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 39 R C 1.614 178.030 176.300 0.193 0.000 1.134 39 R CA 2.017 58.147 56.100 0.051 0.000 0.952 39 R CB -0.551 29.753 30.300 0.008 0.000 0.850 39 R HN 0.372 nan 8.270 nan 0.000 0.433 40 D N -0.237 120.241 120.400 0.130 0.000 2.144 40 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 40 D C 1.950 178.380 176.300 0.216 0.000 0.984 40 D CA 1.251 55.379 54.000 0.214 0.000 0.834 40 D CB -0.119 40.757 40.800 0.128 0.000 0.955 40 D HN 0.301 nan 8.370 nan 0.000 0.465 41 R N 0.147 120.696 120.500 0.081 0.000 2.090 41 R HA 0.052 4.392 4.340 -0.000 0.000 0.228 41 R C 2.573 178.912 176.300 0.064 0.000 1.110 41 R CA 0.568 56.686 56.100 0.030 0.000 0.973 41 R CB -0.150 30.094 30.300 -0.094 0.000 0.869 41 R HN 0.224 nan 8.270 nan 0.000 0.440 42 I N 0.936 121.556 120.570 0.084 0.000 2.315 42 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 42 I C 1.950 178.152 176.117 0.142 0.000 1.117 42 I CA 1.321 62.689 61.300 0.112 0.000 1.404 42 I CB -0.218 37.895 38.000 0.188 0.000 1.071 42 I HN 0.197 nan 8.210 nan 0.000 0.419 43 E N 0.508 120.826 120.200 0.197 0.000 2.110 43 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 43 E C 2.324 179.024 176.600 0.167 0.000 0.988 43 E CA 1.426 57.960 56.400 0.223 0.000 0.804 43 E CB -0.056 29.889 29.700 0.409 0.000 0.745 43 E HN 0.365 nan 8.360 nan 0.000 0.458 44 S N 0.766 116.537 115.700 0.120 0.000 2.368 44 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 44 S C 1.995 176.705 174.600 0.182 0.000 1.030 44 S CA 1.093 59.316 58.200 0.037 0.000 0.999 44 S CB -0.102 63.184 63.200 0.144 0.000 0.844 44 S HN 0.224 nan 8.310 nan 0.000 0.459 45 M N -0.104 119.633 119.600 0.228 0.000 2.117 45 M HA -0.075 4.405 4.480 -0.000 0.000 0.262 45 M C 1.994 178.467 176.300 0.289 0.000 1.065 45 M CA 1.521 56.988 55.300 0.279 0.000 1.114 45 M CB -0.485 32.124 32.600 0.014 0.000 1.361 45 M HN 0.312 nan 8.290 nan 0.000 0.408 46 F N 1.338 121.318 119.950 0.050 0.000 2.102 46 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 46 F C 1.943 177.852 175.800 0.182 0.000 1.105 46 F CA 1.606 59.633 58.000 0.044 0.000 1.239 46 F CB -0.113 38.860 39.000 -0.045 0.000 0.991 46 F HN -0.044 nan 8.300 nan 0.000 0.474 47 L N -0.057 121.389 121.223 0.372 0.000 2.131 47 L HA -0.196 4.143 4.340 -0.000 0.000 0.210 47 L C 2.309 179.299 176.870 0.200 0.000 1.092 47 L CA 1.449 56.417 54.840 0.213 0.000 0.759 47 L CB -0.704 41.266 42.059 -0.149 0.000 0.903 47 L HN 0.222 nan 8.230 nan 0.000 0.435 48 E N -0.471 119.875 120.200 0.244 0.000 2.072 48 E HA -0.169 4.180 4.350 -0.000 0.000 0.191 48 E C 2.349 179.117 176.600 0.281 0.000 0.985 48 E CA 1.404 57.964 56.400 0.266 0.000 0.801 48 E CB 0.016 29.948 29.700 0.387 0.000 0.750 48 E HN 0.324 nan 8.360 nan 0.000 0.452 49 S N 0.248 116.172 115.700 0.374 0.000 2.368 49 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 49 S C 1.354 176.087 174.600 0.221 0.000 1.029 49 S CA 0.610 59.019 58.200 0.348 0.000 0.988 49 S CB -0.278 63.198 63.200 0.460 0.000 0.838 49 S HN 0.476 nan 8.310 nan 0.000 0.462 50 W N 2.563 123.831 121.300 -0.053 0.000 2.381 50 W HA -0.082 4.578 4.660 -0.000 0.000 0.301 50 W C 2.033 178.598 176.519 0.077 0.000 1.205 50 W CA 1.063 58.400 57.345 -0.014 0.000 1.285 50 W CB -0.235 29.204 29.460 -0.035 0.000 1.133 50 W HN 0.269 nan 8.180 nan 0.000 0.521 51 R N 0.086 120.666 120.500 0.133 0.000 2.081 51 R HA -0.194 4.146 4.340 -0.000 0.000 0.235 51 R C 1.894 178.149 176.300 -0.074 0.000 1.131 51 R CA 2.077 58.177 56.100 0.000 0.000 0.960 51 R CB -0.807 29.519 30.300 0.044 0.000 0.856 51 R HN 0.096 nan 8.270 nan 0.000 0.436 52 D N -0.234 120.185 120.400 0.032 0.000 2.117 52 D HA -0.217 4.423 4.640 -0.000 0.000 0.198 52 D C 1.760 178.042 176.300 -0.031 0.000 0.982 52 D CA 0.951 55.016 54.000 0.110 0.000 0.828 52 D CB -0.071 40.885 40.800 0.260 0.000 0.967 52 D HN 0.228 nan 8.370 nan 0.000 0.464 53 Y N 0.813 120.922 120.300 -0.319 0.000 2.181 53 Y HA -0.128 4.422 4.550 -0.000 0.000 0.288 53 Y C 2.338 177.915 175.900 -0.538 0.000 1.146 53 Y CA 1.925 59.591 58.100 -0.722 0.000 1.164 53 Y CB -0.481 37.584 38.460 -0.659 0.000 0.982 53 Y HN -0.061 nan 8.280 nan 0.000 0.515 54 S N 0.364 115.692 115.700 -0.620 0.000 2.382 54 S HA -0.196 4.274 4.470 -0.000 0.000 0.228 54 S C 1.983 176.304 174.600 -0.465 0.000 1.027 54 S CA 1.527 59.391 58.200 -0.560 0.000 0.991 54 S CB -0.328 62.502 63.200 -0.618 0.000 0.823 54 S HN 0.481 nan 8.310 nan 0.000 0.469 55 K N 0.259 120.403 120.400 -0.428 0.000 2.062 55 K HA -0.104 4.215 4.320 -0.000 0.000 0.205 55 K C 1.770 178.043 176.600 -0.545 0.000 1.051 55 K CA 1.252 57.251 56.287 -0.479 0.000 0.941 55 K CB -0.052 32.124 32.500 -0.541 0.000 0.719 55 K HN 0.428 nan 8.250 nan 0.000 0.440 56 H N -2.329 116.602 119.070 -0.232 0.000 2.506 56 H HA 0.162 4.718 4.556 -0.000 0.000 0.289 56 H C 1.167 176.400 175.328 -0.159 0.000 1.009 56 H CA 1.087 57.062 56.048 -0.122 0.000 1.303 56 H CB 0.923 30.740 29.762 0.092 0.000 1.453 56 H HN 0.319 nan 8.280 nan 0.000 0.526 57 G N -0.209 108.356 108.800 -0.393 0.000 4.144 57 G HA2 0.004 3.964 3.960 -0.000 0.000 0.297 57 G HA3 0.004 3.964 3.960 -0.000 0.000 0.297 57 G C -0.318 174.237 174.900 -0.575 0.000 1.090 57 G CA -0.466 44.417 45.100 -0.361 0.000 0.870 57 G HN 0.217 nan 8.290 nan 0.000 0.532 58 W N 0.994 121.856 121.300 -0.731 0.000 2.347 58 W HA 0.310 4.970 4.660 0.000 0.000 0.333 58 W C 1.024 177.301 176.519 -0.403 0.000 1.383 58 W CA 1.517 58.430 57.345 -0.720 0.000 1.283 58 W CB 0.377 29.538 29.460 -0.498 0.000 1.253 58 W HN 0.528 nan 8.180 nan 0.000 0.563 59 G N 4.267 112.231 108.800 -1.395 0.000 2.176 59 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.253 59 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.253 59 G C -0.593 173.946 174.900 -0.602 0.000 0.979 59 G CA 0.142 44.512 45.100 -1.217 0.000 0.641 59 G HN 0.590 nan 8.290 nan 0.000 0.530 60 Y N 0.992 121.157 120.300 -0.224 0.000 2.334 60 Y HA 0.484 5.033 4.550 -0.000 0.000 0.328 60 Y C 1.368 177.303 175.900 0.059 0.000 1.130 60 Y CA -0.404 57.685 58.100 -0.018 0.000 1.163 60 Y CB 1.133 39.605 38.460 0.020 0.000 1.207 60 Y HN -0.031 nan 8.280 nan 0.000 0.471 61 D N 0.950 121.461 120.400 0.185 0.000 2.144 61 D HA -0.039 4.601 4.640 -0.000 0.000 0.200 61 D C -0.146 176.221 176.300 0.111 0.000 0.978 61 D CA 1.263 55.356 54.000 0.155 0.000 0.833 61 D CB 0.205 41.016 40.800 0.019 0.000 0.961 61 D HN 0.130 nan 8.370 nan 0.000 0.470 62 V N 0.170 120.072 119.914 -0.020 0.000 2.604 62 V HA 0.370 4.490 4.120 -0.000 0.000 0.305 62 V C -1.040 175.107 176.094 0.089 0.000 1.043 62 V CA -1.002 61.244 62.300 -0.090 0.000 0.888 62 V CB 2.161 33.669 31.823 -0.524 0.000 0.995 62 V HN 0.039 nan 8.190 nan 0.000 0.429 63 Y N 2.137 122.441 120.300 0.007 0.000 2.433 63 Y HA 0.709 5.259 4.550 -0.000 0.000 0.337 63 Y C 0.176 176.084 175.900 0.013 0.000 1.026 63 Y CA -0.581 57.554 58.100 0.059 0.000 1.037 63 Y CB 2.183 40.782 38.460 0.232 0.000 1.245 63 Y HN 0.733 nan 8.280 nan 0.000 0.443 64 G N 6.327 114.670 108.800 -0.762 0.000 2.415 64 G HA2 0.433 4.393 3.960 -0.000 0.000 0.317 64 G HA3 0.433 4.393 3.960 -0.000 0.000 0.317 64 G C -2.646 171.638 174.900 -1.027 0.000 1.152 64 G CA -1.850 42.858 45.100 -0.652 0.000 0.956 64 G HN 0.529 nan 8.290 nan 0.000 0.458 65 P HA -0.074 nan 4.420 nan 0.000 0.218 65 P C 1.998 178.938 177.300 -0.599 0.000 1.149 65 P CA 0.458 63.253 63.100 -0.509 0.000 0.817 65 P CB 0.362 31.958 31.700 -0.173 0.000 0.785 66 I N -0.255 120.026 120.570 -0.483 0.000 2.142 66 I HA -0.228 3.942 4.170 -0.000 0.000 0.240 66 I C 1.762 177.549 176.117 -0.551 0.000 1.078 66 I CA 1.765 62.804 61.300 -0.435 0.000 1.343 66 I CB -0.649 37.180 38.000 -0.284 0.000 1.046 66 I HN -0.001 nan 8.210 nan 0.000 0.405 67 E N -0.980 118.932 120.200 -0.479 0.000 2.474 67 E HA 0.015 4.364 4.350 -0.000 0.000 0.195 67 E C -0.303 176.101 176.600 -0.327 0.000 1.039 67 E CA -0.024 56.164 56.400 -0.352 0.000 0.881 67 E CB 0.254 29.824 29.700 -0.216 0.000 0.970 67 E HN 0.365 nan 8.360 nan 0.000 0.486 68 H N 0.162 119.031 119.070 -0.335 0.000 2.862 68 H HA -0.131 4.425 4.556 -0.000 0.000 0.290 68 H C -0.110 175.127 175.328 -0.153 0.000 1.211 68 H CA 1.289 57.164 56.048 -0.288 0.000 1.140 68 H CB -2.524 26.923 29.762 -0.525 0.000 1.341 68 H HN 0.284 nan 8.280 nan 0.000 0.392 69 T N -1.346 113.091 114.554 -0.196 0.000 2.934 69 T HA 0.697 5.046 4.350 -0.000 0.000 0.283 69 T C 0.653 175.319 174.700 -0.057 0.000 1.005 69 T CA -0.121 61.919 62.100 -0.100 0.000 1.041 69 T CB 3.166 71.969 68.868 -0.109 0.000 1.042 69 T HN 0.473 nan 8.240 nan 0.000 0.505 70 S N 0.138 115.806 115.700 -0.055 0.000 2.588 70 S HA 0.702 5.172 4.470 -0.000 0.000 0.269 70 S C -1.290 173.256 174.600 -0.091 0.000 1.157 70 S CA -1.077 57.087 58.200 -0.060 0.000 0.824 70 S CB 1.766 64.893 63.200 -0.122 0.000 1.126 70 S HN 1.451 nan 8.310 nan 0.000 0.464 71 H N -0.282 118.788 119.070 -0.000 0.000 2.967 71 H HA 0.546 5.102 4.556 0.000 0.000 0.318 71 H C -1.900 173.602 175.328 0.290 0.000 1.375 71 H CA -0.826 55.305 56.048 0.138 0.000 1.132 71 H CB 0.484 30.277 29.762 0.052 0.000 1.848 71 H HN 0.587 nan 8.280 nan 0.000 0.524 72 N N 0.320 119.232 118.700 0.353 0.000 2.472 72 N HA 0.250 4.990 4.740 -0.000 0.000 0.289 72 N C 1.262 176.873 175.510 0.169 0.000 1.156 72 N CA -0.588 52.568 53.050 0.175 0.000 0.940 72 N CB 1.961 40.536 38.487 0.147 0.000 1.200 72 N HN 0.604 nan 8.380 nan 0.000 0.511 73 M N 0.138 119.755 119.600 0.027 0.000 2.193 73 M HA 0.075 4.555 4.480 -0.000 0.000 0.265 73 M C -1.302 175.015 176.300 0.028 0.000 1.071 73 M CA 0.764 56.063 55.300 -0.002 0.000 1.140 73 M CB -1.201 31.276 32.600 -0.205 0.000 1.369 73 M HN 0.261 nan 8.290 nan 0.000 0.423 74 P HA 0.058 nan 4.420 nan 0.000 0.265 74 P C 0.642 177.971 177.300 0.047 0.000 1.193 74 P CA 0.471 63.594 63.100 0.038 0.000 0.765 74 P CB 0.500 32.227 31.700 0.045 0.000 0.823 75 R N 3.086 123.609 120.500 0.039 0.000 2.139 75 R HA -0.127 4.213 4.340 -0.000 0.000 0.243 75 R C 2.151 178.470 176.300 0.031 0.000 1.145 75 R CA 2.279 58.398 56.100 0.032 0.000 0.976 75 R CB -2.095 28.220 30.300 0.025 0.000 0.866 75 R HN 0.694 nan 8.270 nan 0.000 0.449 76 G N -0.673 108.144 108.800 0.028 0.000 2.920 76 G HA2 0.043 4.003 3.960 -0.000 0.000 0.208 76 G HA3 0.043 4.003 3.960 -0.000 0.000 0.208 76 G C 0.721 175.640 174.900 0.031 0.000 1.159 76 G CA 0.774 45.887 45.100 0.021 0.000 0.784 76 G HN 0.769 nan 8.290 nan 0.000 0.535 77 N N -1.293 117.437 118.700 0.050 0.000 2.925 77 N HA -0.170 4.570 4.740 -0.000 0.000 0.244 77 N C 0.333 175.872 175.510 0.047 0.000 1.000 77 N CA 0.792 53.887 53.050 0.074 0.000 0.895 77 N CB -1.450 37.087 38.487 0.085 0.000 1.119 77 N HN 0.554 nan 8.380 nan 0.000 0.569 78 Q N 0.755 120.568 119.800 0.022 0.000 2.327 78 Q HA 0.341 4.681 4.340 -0.000 0.000 0.254 78 Q C -2.214 173.787 176.000 0.001 0.000 0.952 78 Q CA -1.370 54.427 55.803 -0.010 0.000 0.884 78 Q CB 0.887 29.610 28.738 -0.025 0.000 1.224 78 Q HN 0.315 nan 8.270 nan 0.000 0.422 79 P HA 0.051 nan 4.420 nan 0.000 0.277 79 P C -0.351 176.983 177.300 0.056 0.000 1.240 79 P CA 0.019 63.150 63.100 0.052 0.000 0.798 79 P CB 1.020 32.804 31.700 0.140 0.000 0.979 80 L N 0.656 121.988 121.223 0.181 0.000 2.638 80 L HA 0.271 4.611 4.340 -0.000 0.000 0.232 80 L C 1.549 178.675 176.870 0.427 0.000 1.099 80 L CA 0.645 55.669 54.840 0.307 0.000 0.883 80 L CB -0.360 41.969 42.059 0.451 0.000 1.136 80 L HN 0.704 nan 8.230 nan 0.000 0.492 81 G N -0.913 108.149 108.800 0.437 0.000 2.160 81 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.244 81 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.244 81 G C 0.762 175.877 174.900 0.358 0.000 1.022 81 G CA 0.261 45.628 45.100 0.446 0.000 0.741 81 G HN 0.469 nan 8.290 nan 0.000 0.508 82 W N -0.476 120.899 121.300 0.125 0.000 2.305 82 W HA -0.178 4.483 4.660 0.000 0.000 0.308 82 W C 2.166 178.715 176.519 0.049 0.000 1.226 82 W CA 1.823 59.229 57.345 0.102 0.000 1.253 82 W CB -0.022 29.486 29.460 0.080 0.000 1.146 82 W HN 0.484 nan 8.180 nan 0.000 0.507 83 I N -1.012 119.625 120.570 0.112 0.000 2.556 83 I HA -0.218 3.952 4.170 -0.000 0.000 0.251 83 I C 2.246 178.339 176.117 -0.039 0.000 1.105 83 I CA 0.513 61.761 61.300 -0.086 0.000 1.436 83 I CB -0.528 37.230 38.000 -0.404 0.000 1.139 83 I HN -0.213 nan 8.210 nan 0.000 0.438 84 I N 0.442 120.970 120.570 -0.070 0.000 2.127 84 I HA -0.269 3.901 4.170 -0.000 0.000 0.241 84 I C 2.530 178.760 176.117 0.188 0.000 1.075 84 I CA 1.402 62.749 61.300 0.079 0.000 1.334 84 I CB -0.388 37.445 38.000 -0.278 0.000 1.040 84 I HN 0.007 nan 8.210 nan 0.000 0.405 85 V N 0.546 120.566 119.914 0.176 0.000 2.407 85 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 85 V C 2.027 178.164 176.094 0.073 0.000 1.055 85 V CA 2.082 64.486 62.300 0.174 0.000 1.049 85 V CB -0.653 31.304 31.823 0.224 0.000 0.662 85 V HN 0.412 nan 8.190 nan 0.000 0.455 86 D N -0.352 120.087 120.400 0.065 0.000 2.269 86 D HA -0.076 4.564 4.640 -0.000 0.000 0.208 86 D C 2.212 178.632 176.300 0.200 0.000 0.963 86 D CA 1.163 55.238 54.000 0.124 0.000 0.864 86 D CB 0.091 40.899 40.800 0.013 0.000 0.936 86 D HN 0.408 nan 8.370 nan 0.000 0.505 87 S N -1.297 114.496 115.700 0.156 0.000 2.503 87 S HA 0.038 4.508 4.470 -0.000 0.000 0.215 87 S C 2.093 176.719 174.600 0.043 0.000 1.003 87 S CA -0.180 58.114 58.200 0.156 0.000 0.910 87 S CB 0.555 63.913 63.200 0.264 0.000 0.790 87 S HN 0.070 nan 8.310 nan 0.000 0.514 88 V N 3.911 123.851 119.914 0.043 0.000 2.282 88 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 88 V C 2.486 178.513 176.094 -0.111 0.000 1.057 88 V CA 2.304 64.588 62.300 -0.027 0.000 1.032 88 V CB -0.834 30.994 31.823 0.008 0.000 0.645 88 V HN 0.621 nan 8.190 nan 0.000 0.447 89 D N -0.708 119.643 120.400 -0.082 0.000 2.219 89 D HA -0.154 4.486 4.640 -0.000 0.000 0.205 89 D C 1.852 178.070 176.300 -0.138 0.000 0.970 89 D CA 1.706 55.654 54.000 -0.087 0.000 0.851 89 D CB -0.780 40.030 40.800 0.017 0.000 0.943 89 D HN 0.425 nan 8.370 nan 0.000 0.488 90 T N 0.606 115.058 114.554 -0.171 0.000 2.857 90 T HA 0.041 4.391 4.350 -0.000 0.000 0.266 90 T C 2.071 176.397 174.700 -0.622 0.000 1.048 90 T CA 0.543 62.425 62.100 -0.364 0.000 1.139 90 T CB -0.225 68.451 68.868 -0.319 0.000 0.874 90 T HN 0.146 nan 8.240 nan 0.000 0.455 91 L N 0.287 121.202 121.223 -0.512 0.000 2.046 91 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 91 L C 2.662 179.310 176.870 -0.370 0.000 1.077 91 L CA 1.298 55.841 54.840 -0.495 0.000 0.747 91 L CB -0.518 41.358 42.059 -0.305 0.000 0.896 91 L HN 0.304 nan 8.230 nan 0.000 0.432 92 M N -0.805 118.649 119.600 -0.243 0.000 2.132 92 M HA -0.211 4.269 4.480 -0.000 0.000 0.263 92 M C 2.286 178.519 176.300 -0.112 0.000 1.065 92 M CA 1.690 56.921 55.300 -0.116 0.000 1.122 92 M CB -0.345 32.185 32.600 -0.117 0.000 1.365 92 M HN 0.219 nan 8.290 nan 0.000 0.411 93 L N -0.360 120.738 121.223 -0.208 0.000 2.046 93 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 93 L C 2.566 179.275 176.870 -0.268 0.000 1.077 93 L CA 1.294 56.042 54.840 -0.153 0.000 0.747 93 L CB -0.432 41.565 42.059 -0.102 0.000 0.896 93 L HN 0.379 nan 8.230 nan 0.000 0.432 94 M N -1.715 117.461 119.600 -0.708 0.000 2.200 94 M HA -0.215 4.265 4.480 -0.000 0.000 0.265 94 M C 2.374 178.182 176.300 -0.821 0.000 1.066 94 M CA 1.596 56.227 55.300 -1.116 0.000 1.127 94 M CB -0.498 30.860 32.600 -2.071 0.000 1.379 94 M HN 0.204 nan 8.290 nan 0.000 0.420 95 Y N 1.331 121.195 120.300 -0.727 0.000 2.207 95 Y HA -0.276 4.274 4.550 -0.000 0.000 0.287 95 Y C 1.939 177.764 175.900 -0.126 0.000 1.156 95 Y CA 2.109 60.057 58.100 -0.253 0.000 1.182 95 Y CB -0.646 37.747 38.460 -0.111 0.000 0.979 95 Y HN 0.289 nan 8.280 nan 0.000 0.521 96 N N -0.680 117.801 118.700 -0.365 0.000 2.309 96 N HA -0.125 4.615 4.740 -0.000 0.000 0.182 96 N C 1.039 176.403 175.510 -0.243 0.000 1.018 96 N CA 1.603 54.433 53.050 -0.367 0.000 0.876 96 N CB -0.136 38.275 38.487 -0.127 0.000 0.972 96 N HN 0.300 nan 8.380 nan 0.000 0.434 97 S N -1.734 113.885 115.700 -0.134 0.000 2.666 97 S HA 0.182 4.652 4.470 -0.000 0.000 0.239 97 S C 0.054 174.661 174.600 0.012 0.000 1.031 97 S CA -0.552 57.628 58.200 -0.033 0.000 1.015 97 S CB 0.378 63.608 63.200 0.050 0.000 0.981 97 S HN 0.243 nan 8.310 nan 0.000 0.547 98 S N 2.447 118.146 115.700 -0.002 0.000 2.560 98 S HA 0.166 4.636 4.470 -0.000 0.000 0.284 98 S C 1.355 175.984 174.600 0.049 0.000 1.327 98 S CA 0.503 58.768 58.200 0.108 0.000 1.055 98 S CB 0.682 64.046 63.200 0.274 0.000 0.868 98 S HN 0.539 nan 8.310 nan 0.000 0.506 99 T N 2.572 117.146 114.554 0.033 0.000 2.971 99 T HA 0.271 4.620 4.350 -0.000 0.000 0.252 99 T C 1.369 176.012 174.700 -0.094 0.000 1.022 99 T CA -0.124 61.960 62.100 -0.027 0.000 0.980 99 T CB -0.141 68.709 68.868 -0.029 0.000 1.044 99 T HN 0.521 nan 8.240 nan 0.000 0.501 100 L N -1.269 119.834 121.223 -0.200 0.000 2.537 100 L HA 0.399 4.739 4.340 -0.000 0.000 0.224 100 L C 0.791 177.297 176.870 -0.605 0.000 1.065 100 L CA 0.272 54.803 54.840 -0.516 0.000 0.860 100 L CB 0.256 41.770 42.059 -0.908 0.000 1.086 100 L HN 0.226 nan 8.230 nan 0.000 0.482 101 Y N -1.443 118.934 120.300 0.127 0.000 2.719 101 Y HA 0.234 4.784 4.550 -0.000 0.000 0.251 101 Y C 1.755 177.769 175.900 0.190 0.000 1.159 101 Y CA -0.478 57.667 58.100 0.075 0.000 1.166 101 Y CB 0.113 38.522 38.460 -0.084 0.000 1.219 101 Y HN -0.090 nan 8.280 nan 0.000 0.551 102 K N 0.646 121.228 120.400 0.303 0.000 2.089 102 K HA -0.245 4.075 4.320 -0.000 0.000 0.210 102 K C 2.378 179.186 176.600 0.347 0.000 1.048 102 K CA 1.839 58.318 56.287 0.320 0.000 0.926 102 K CB -0.098 32.469 32.500 0.112 0.000 0.714 102 K HN 0.283 nan 8.250 nan 0.000 0.448 103 S N 0.332 116.159 115.700 0.212 0.000 2.382 103 S HA -0.174 4.296 4.470 -0.000 0.000 0.228 103 S C 1.858 176.534 174.600 0.127 0.000 1.027 103 S CA 1.539 59.837 58.200 0.163 0.000 0.991 103 S CB -0.177 63.083 63.200 0.101 0.000 0.823 103 S HN 0.436 nan 8.310 nan 0.000 0.469 104 E N -0.575 119.677 120.200 0.087 0.000 2.047 104 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 104 E C 1.700 178.277 176.600 -0.039 0.000 0.987 104 E CA 1.232 57.620 56.400 -0.021 0.000 0.799 104 E CB -0.258 29.370 29.700 -0.119 0.000 0.752 104 E HN 0.678 nan 8.360 nan 0.000 0.449 105 F N 1.242 121.247 119.950 0.092 0.000 2.126 105 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 105 F C 2.540 178.323 175.800 -0.027 0.000 1.096 105 F CA 1.513 59.523 58.000 0.016 0.000 1.255 105 F CB -0.121 38.912 39.000 0.055 0.000 0.997 105 F HN 0.156 nan 8.300 nan 0.000 0.479 106 E N 0.483 120.801 120.200 0.196 0.000 2.077 106 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 106 E C 2.320 178.883 176.600 -0.062 0.000 0.989 106 E CA 1.038 57.384 56.400 -0.089 0.000 0.800 106 E CB -0.170 29.511 29.700 -0.032 0.000 0.746 106 E HN 0.342 nan 8.360 nan 0.000 0.452 107 A N 1.160 123.981 122.820 0.002 0.000 1.933 107 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 107 A C 1.973 179.556 177.584 -0.002 0.000 1.175 107 A CA 1.413 53.444 52.037 -0.010 0.000 0.628 107 A CB -0.383 18.619 19.000 0.003 0.000 0.814 107 A HN 0.207 nan 8.150 nan 0.000 0.444 108 E N -0.028 120.196 120.200 0.040 0.000 2.150 108 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 108 E C 1.902 178.573 176.600 0.118 0.000 0.985 108 E CA 0.745 57.221 56.400 0.128 0.000 0.814 108 E CB -0.378 29.403 29.700 0.135 0.000 0.752 108 E HN 0.744 nan 8.360 nan 0.000 0.466 109 I N 1.190 121.771 120.570 0.020 0.000 2.252 109 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 109 I C 2.403 178.533 176.117 0.022 0.000 1.102 109 I CA 0.920 62.227 61.300 0.010 0.000 1.385 109 I CB -0.156 37.782 38.000 -0.104 0.000 1.064 109 I HN 0.027 nan 8.210 nan 0.000 0.414 110 Q N 0.366 120.120 119.800 -0.076 0.000 2.084 110 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 110 Q C 2.248 178.062 176.000 -0.310 0.000 0.978 110 Q CA 1.379 57.031 55.803 -0.252 0.000 0.844 110 Q CB -0.534 28.052 28.738 -0.252 0.000 0.898 110 Q HN 0.468 nan 8.270 nan 0.000 0.426 111 R N 0.319 120.779 120.500 -0.066 0.000 2.083 111 R HA -0.101 4.239 4.340 -0.000 0.000 0.237 111 R C 2.343 178.882 176.300 0.398 0.000 1.137 111 R CA 1.656 57.799 56.100 0.072 0.000 0.951 111 R CB 0.044 30.317 30.300 -0.046 0.000 0.851 111 R HN 0.147 nan 8.270 nan 0.000 0.434 112 S N 0.392 116.386 115.700 0.491 0.000 2.368 112 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 112 S C 1.715 176.620 174.600 0.509 0.000 1.030 112 S CA 1.356 59.945 58.200 0.648 0.000 0.999 112 S CB -0.196 63.337 63.200 0.555 0.000 0.844 112 S HN 0.444 nan 8.310 nan 0.000 0.459 113 E N 0.653 121.046 120.200 0.322 0.000 2.077 113 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 113 E C 1.766 178.517 176.600 0.251 0.000 0.989 113 E CA 1.134 57.667 56.400 0.223 0.000 0.800 113 E CB -0.133 29.634 29.700 0.112 0.000 0.746 113 E HN 0.713 nan 8.360 nan 0.000 0.452 114 H N -1.788 117.409 119.070 0.212 0.000 2.387 114 H HA -0.151 4.405 4.556 -0.000 0.000 0.299 114 H C 1.664 177.118 175.328 0.210 0.000 1.090 114 H CA 0.980 57.127 56.048 0.165 0.000 1.332 114 H CB -0.129 29.732 29.762 0.166 0.000 1.386 114 H HN 0.358 nan 8.280 nan 0.000 0.516 115 W N 1.669 123.152 121.300 0.306 0.000 2.379 115 W HA -0.130 4.530 4.660 -0.000 0.000 0.307 115 W C 1.942 178.521 176.519 0.100 0.000 1.200 115 W CA 1.247 58.727 57.345 0.225 0.000 1.297 115 W CB -0.340 29.307 29.460 0.313 0.000 1.140 115 W HN 0.031 nan 8.180 nan 0.000 0.507 116 I N 0.797 121.569 120.570 0.337 0.000 2.286 116 I HA -0.343 3.827 4.170 -0.000 0.000 0.248 116 I C 2.157 178.227 176.117 -0.079 0.000 1.115 116 I CA 1.885 63.254 61.300 0.116 0.000 1.392 116 I CB -0.646 37.517 38.000 0.272 0.000 1.065 116 I HN 0.123 nan 8.210 nan 0.000 0.418 117 N N 0.484 119.166 118.700 -0.030 0.000 2.207 117 N HA -0.147 4.593 4.740 -0.000 0.000 0.182 117 N C 1.342 176.785 175.510 -0.112 0.000 1.020 117 N CA 1.375 54.384 53.050 -0.068 0.000 0.858 117 N CB 0.137 38.606 38.487 -0.030 0.000 0.991 117 N HN 0.168 nan 8.380 nan 0.000 0.427 118 D N -1.272 119.057 120.400 -0.119 0.000 2.338 118 D HA 0.080 4.720 4.640 -0.000 0.000 0.208 118 D C 1.588 177.738 176.300 -0.250 0.000 0.997 118 D CA 0.444 54.358 54.000 -0.143 0.000 0.880 118 D CB 0.413 41.168 40.800 -0.074 0.000 0.980 118 D HN 0.122 nan 8.370 nan 0.000 0.509 119 V N 0.559 120.192 119.914 -0.469 0.000 2.743 119 V HA 0.095 4.215 4.120 -0.000 0.000 0.237 119 V C 0.779 176.411 176.094 -0.770 0.000 1.113 119 V CA -0.241 61.667 62.300 -0.654 0.000 1.141 119 V CB 0.068 31.288 31.823 -1.006 0.000 0.873 119 V HN 0.070 nan 8.190 nan 0.000 0.486 120 L N 2.436 122.994 121.223 -1.108 0.000 2.578 120 L HA 0.200 4.540 4.340 -0.000 0.000 0.279 120 L C -0.501 176.026 176.870 -0.572 0.000 1.227 120 L CA 0.996 55.287 54.840 -0.916 0.000 0.900 120 L CB -0.234 41.328 42.059 -0.828 0.000 1.144 120 L HN 0.295 nan 8.230 nan 0.000 0.496 121 D N 4.137 124.214 120.400 -0.538 0.000 2.616 121 D HA 0.138 4.778 4.640 -0.000 0.000 0.238 121 D C 0.072 176.187 176.300 -0.308 0.000 1.354 121 D CA -0.294 53.511 54.000 -0.326 0.000 0.970 121 D CB 0.537 41.219 40.800 -0.197 0.000 1.369 121 D HN 0.455 nan 8.370 nan 0.000 0.585 122 F N 0.831 120.787 119.950 0.010 0.000 2.811 122 F HA 0.044 4.570 4.527 -0.000 0.000 0.301 122 F C 1.409 177.249 175.800 0.067 0.000 1.151 122 F CA -0.105 57.924 58.000 0.050 0.000 1.412 122 F CB 0.377 39.416 39.000 0.065 0.000 1.113 122 F HN 0.229 nan 8.300 nan 0.000 0.579 123 D N 1.943 122.450 120.400 0.178 0.000 2.551 123 D HA 0.148 4.788 4.640 -0.000 0.000 0.223 123 D C -0.273 176.113 176.300 0.145 0.000 1.144 123 D CA 0.289 54.399 54.000 0.184 0.000 1.025 123 D CB -0.472 40.421 40.800 0.155 0.000 1.085 123 D HN 0.171 nan 8.370 nan 0.000 0.506 124 I N 1.357 122.028 120.570 0.168 0.000 2.378 124 I HA 0.132 4.302 4.170 -0.000 0.000 0.291 124 I C 0.347 176.540 176.117 0.126 0.000 0.992 124 I CA -0.974 60.391 61.300 0.109 0.000 1.154 124 I CB 1.811 39.879 38.000 0.114 0.000 1.315 124 I HN -0.055 nan 8.210 nan 0.000 0.448 125 D N 6.630 127.053 120.400 0.038 0.000 2.608 125 D HA 0.457 5.097 4.640 -0.000 0.000 0.224 125 D C -0.549 175.788 176.300 0.061 0.000 1.123 125 D CA 0.193 54.218 54.000 0.042 0.000 1.030 125 D CB 0.104 40.853 40.800 -0.084 0.000 1.093 125 D HN 0.639 nan 8.370 nan 0.000 0.497 126 A N 2.523 125.399 122.820 0.094 0.000 2.574 126 A HA 0.493 4.813 4.320 -0.000 0.000 0.297 126 A C -0.618 177.024 177.584 0.096 0.000 1.062 126 A CA -0.855 51.232 52.037 0.083 0.000 0.686 126 A CB 1.119 20.162 19.000 0.071 0.000 1.285 126 A HN 0.280 nan 8.150 nan 0.000 0.403 127 E N 0.442 120.695 120.200 0.087 0.000 2.229 127 E HA 0.470 4.820 4.350 -0.000 0.000 0.283 127 E C -0.217 176.433 176.600 0.084 0.000 1.030 127 E CA -0.444 56.009 56.400 0.089 0.000 0.836 127 E CB 1.695 31.450 29.700 0.091 0.000 1.068 127 E HN 0.765 nan 8.360 nan 0.000 0.401 128 V N 0.704 120.673 119.914 0.091 0.000 2.914 128 V HA 0.461 4.581 4.120 -0.000 0.000 0.314 128 V C -0.393 175.768 176.094 0.111 0.000 1.084 128 V CA -1.309 61.048 62.300 0.095 0.000 0.963 128 V CB 1.959 33.857 31.823 0.125 0.000 1.025 128 V HN 0.579 nan 8.190 nan 0.000 0.432 129 N N 1.901 120.683 118.700 0.136 0.000 2.452 129 N HA 0.225 4.965 4.740 -0.000 0.000 0.266 129 N C 0.795 176.421 175.510 0.195 0.000 1.175 129 N CA 0.225 53.379 53.050 0.173 0.000 0.945 129 N CB 1.514 40.137 38.487 0.226 0.000 1.063 129 N HN 0.596 nan 8.380 nan 0.000 0.472 130 V N 4.232 124.246 119.914 0.167 0.000 2.287 130 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 130 V C 1.753 177.978 176.094 0.219 0.000 1.053 130 V CA 1.773 64.166 62.300 0.154 0.000 1.027 130 V CB -1.084 30.785 31.823 0.076 0.000 0.646 130 V HN 0.764 nan 8.190 nan 0.000 0.447 131 F N 1.452 121.474 119.950 0.121 0.000 2.046 131 F HA -0.172 4.354 4.527 -0.000 0.000 0.297 131 F C 2.531 178.413 175.800 0.136 0.000 1.123 131 F CA 2.126 60.194 58.000 0.113 0.000 1.199 131 F CB -0.493 38.549 39.000 0.070 0.000 0.972 131 F HN 0.113 nan 8.300 nan 0.000 0.474 132 E N 0.062 120.181 120.200 -0.134 0.000 2.085 132 E HA -0.180 4.169 4.350 -0.000 0.000 0.194 132 E C 2.239 178.836 176.600 -0.006 0.000 0.994 132 E CA 2.059 58.371 56.400 -0.148 0.000 0.801 132 E CB -0.961 28.968 29.700 0.381 0.000 0.743 132 E HN 0.462 nan 8.360 nan 0.000 0.453 133 T N 0.784 115.460 114.554 0.204 0.000 2.867 133 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 133 T C 1.971 176.664 174.700 -0.013 0.000 1.057 133 T CA 1.616 63.829 62.100 0.188 0.000 1.136 133 T CB -0.274 68.728 68.868 0.223 0.000 0.874 133 T HN 0.161 nan 8.240 nan 0.000 0.466 134 T N 2.724 117.269 114.554 -0.015 0.000 2.770 134 T HA 0.018 4.368 4.350 -0.000 0.000 0.263 134 T C 2.112 176.770 174.700 -0.069 0.000 1.039 134 T CA 1.351 63.434 62.100 -0.029 0.000 1.142 134 T CB -0.382 68.563 68.868 0.130 0.000 0.868 134 T HN 0.643 nan 8.240 nan 0.000 0.435 135 I N -0.524 119.944 120.570 -0.170 0.000 2.439 135 I HA 0.014 4.184 4.170 -0.000 0.000 0.251 135 I C 2.437 178.518 176.117 -0.060 0.000 1.139 135 I CA 1.185 62.404 61.300 -0.136 0.000 1.438 135 I CB -0.278 37.510 38.000 -0.353 0.000 1.085 135 I HN 0.010 nan 8.210 nan 0.000 0.427 136 R N 0.273 120.656 120.500 -0.196 0.000 2.055 136 R HA 0.176 4.516 4.340 -0.000 0.000 0.221 136 R C 2.302 178.508 176.300 -0.156 0.000 1.154 136 R CA 1.002 56.983 56.100 -0.198 0.000 0.975 136 R CB -0.307 29.600 30.300 -0.654 0.000 0.869 136 R HN 0.280 nan 8.270 nan 0.000 0.437 137 M N 0.644 120.130 119.600 -0.191 0.000 2.134 137 M HA -0.036 4.444 4.480 -0.000 0.000 0.262 137 M C 2.342 178.584 176.300 -0.097 0.000 1.076 137 M CA 1.153 56.408 55.300 -0.075 0.000 1.143 137 M CB -1.019 31.594 32.600 0.022 0.000 1.346 137 M HN 0.092 nan 8.290 nan 0.000 0.421 138 L N 0.881 122.018 121.223 -0.144 0.000 2.017 138 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 138 L C 2.326 179.150 176.870 -0.076 0.000 1.073 138 L CA 2.185 56.922 54.840 -0.172 0.000 0.745 138 L CB -1.397 40.498 42.059 -0.274 0.000 0.894 138 L HN 0.332 nan 8.230 nan 0.000 0.432 139 G N -1.161 107.652 108.800 0.021 0.000 2.418 139 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 139 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 139 G C 1.506 176.383 174.900 -0.039 0.000 1.158 139 G CA 0.572 45.808 45.100 0.227 0.000 0.771 139 G HN 0.596 nan 8.290 nan 0.000 0.545 140 G N 0.636 109.162 108.800 -0.457 0.000 2.422 140 G HA2 -0.074 3.885 3.960 -0.000 0.000 0.218 140 G HA3 -0.074 3.885 3.960 -0.000 0.000 0.218 140 G C 1.775 176.516 174.900 -0.266 0.000 1.140 140 G CA 0.558 45.157 45.100 -0.835 0.000 0.775 140 G HN 0.426 nan 8.290 nan 0.000 0.545 141 L N -0.234 120.940 121.223 -0.082 0.000 2.109 141 L HA 0.102 4.442 4.340 -0.000 0.000 0.207 141 L C 2.797 179.700 176.870 0.054 0.000 1.086 141 L CA 0.341 55.213 54.840 0.054 0.000 0.760 141 L CB -0.263 41.854 42.059 0.096 0.000 0.910 141 L HN 0.173 nan 8.230 nan 0.000 0.437 142 L N -0.602 120.631 121.223 0.017 0.000 2.109 142 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 142 L C 2.824 179.837 176.870 0.238 0.000 1.086 142 L CA 1.452 56.301 54.840 0.015 0.000 0.760 142 L CB -0.474 41.456 42.059 -0.217 0.000 0.910 142 L HN 0.364 nan 8.230 nan 0.000 0.437 143 S N -0.244 115.633 115.700 0.295 0.000 2.428 143 S HA -0.041 4.429 4.470 -0.000 0.000 0.230 143 S C 2.111 176.772 174.600 0.102 0.000 1.014 143 S CA 0.600 59.007 58.200 0.343 0.000 0.957 143 S CB -0.237 63.172 63.200 0.349 0.000 0.784 143 S HN 0.314 nan 8.310 nan 0.000 0.499 144 A N 1.003 123.767 122.820 -0.095 0.000 1.930 144 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 144 A C 2.013 179.358 177.584 -0.399 0.000 1.175 144 A CA 1.327 53.105 52.037 -0.431 0.000 0.627 144 A CB -1.160 17.333 19.000 -0.845 0.000 0.815 144 A HN 0.683 nan 8.150 nan 0.000 0.443 145 Y N -0.164 120.032 120.300 -0.174 0.000 2.145 145 Y HA -0.276 4.274 4.550 -0.000 0.000 0.286 145 Y C 2.385 178.342 175.900 0.095 0.000 1.145 145 Y CA 2.304 60.431 58.100 0.045 0.000 1.148 145 Y CB -0.727 37.781 38.460 0.081 0.000 0.981 145 Y HN 0.587 nan 8.280 nan 0.000 0.507 146 H N 0.140 119.234 119.070 0.040 0.000 2.290 146 H HA -0.184 4.372 4.556 -0.000 0.000 0.298 146 H C 2.068 177.325 175.328 -0.118 0.000 1.087 146 H CA 2.104 58.154 56.048 0.004 0.000 1.291 146 H CB -0.265 29.609 29.762 0.187 0.000 1.369 146 H HN 0.441 nan 8.280 nan 0.000 0.492 147 L N -0.027 121.018 121.223 -0.297 0.000 2.141 147 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 147 L C 2.996 179.722 176.870 -0.241 0.000 1.094 147 L CA 1.031 55.666 54.840 -0.342 0.000 0.763 147 L CB -0.454 41.477 42.059 -0.214 0.000 0.908 147 L HN 0.282 nan 8.230 nan 0.000 0.437 148 S N -0.145 115.420 115.700 -0.225 0.000 2.382 148 S HA -0.238 4.232 4.470 -0.000 0.000 0.228 148 S C 1.635 176.139 174.600 -0.160 0.000 1.027 148 S CA 1.895 60.011 58.200 -0.141 0.000 0.991 148 S CB -0.117 63.058 63.200 -0.042 0.000 0.823 148 S HN 0.494 nan 8.310 nan 0.000 0.469 149 D N 0.268 120.502 120.400 -0.277 0.000 2.085 149 D HA -0.066 4.574 4.640 -0.000 0.000 0.199 149 D C 1.938 178.151 176.300 -0.146 0.000 0.981 149 D CA 1.463 55.315 54.000 -0.247 0.000 0.834 149 D CB -0.642 39.933 40.800 -0.375 0.000 0.992 149 D HN 0.235 nan 8.370 nan 0.000 0.457 150 V N 0.082 119.886 119.914 -0.183 0.000 2.809 150 V HA -0.016 4.104 4.120 -0.000 0.000 0.256 150 V C 1.849 177.877 176.094 -0.111 0.000 1.080 150 V CA 1.121 63.335 62.300 -0.143 0.000 1.102 150 V CB -0.235 31.455 31.823 -0.221 0.000 0.705 150 V HN 0.298 nan 8.190 nan 0.000 0.475 151 L N -0.612 120.545 121.223 -0.109 0.000 2.585 151 L HA 0.312 4.652 4.340 -0.000 0.000 0.226 151 L C 0.888 177.767 176.870 0.015 0.000 1.113 151 L CA 0.252 55.071 54.840 -0.035 0.000 0.876 151 L CB -0.288 41.765 42.059 -0.010 0.000 1.072 151 L HN 0.314 nan 8.230 nan 0.000 0.468 152 E N 0.482 120.672 120.200 -0.017 0.000 2.297 152 E HA -0.207 4.143 4.350 -0.000 0.000 0.228 152 E C -0.415 176.201 176.600 0.028 0.000 1.213 152 E CA 0.206 56.609 56.400 0.004 0.000 0.712 152 E CB -1.345 28.363 29.700 0.015 0.000 1.202 152 E HN 0.184 nan 8.360 nan 0.000 0.376 153 V N -0.194 119.722 119.914 0.003 0.000 2.577 153 V HA 0.729 4.849 4.120 -0.000 0.000 0.303 153 V C 0.484 176.557 176.094 -0.035 0.000 1.042 153 V CA 0.872 63.143 62.300 -0.049 0.000 0.872 153 V CB 1.443 33.177 31.823 -0.149 0.000 0.998 153 V HN 0.743 nan 8.190 nan 0.000 0.423 154 G N 5.223 114.010 108.800 -0.022 0.000 2.681 154 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.220 154 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.220 154 G C -0.391 174.560 174.900 0.085 0.000 1.353 154 G CA 0.110 45.242 45.100 0.054 0.000 0.872 154 G HN 1.152 nan 8.290 nan 0.000 0.557 155 N N 0.997 119.767 118.700 0.116 0.000 2.706 155 N HA 0.197 4.936 4.740 -0.000 0.000 0.240 155 N C 1.681 177.265 175.510 0.123 0.000 1.039 155 N CA 0.265 53.360 53.050 0.076 0.000 0.888 155 N CB 0.982 39.482 38.487 0.023 0.000 1.128 155 N HN 0.838 nan 8.380 nan 0.000 0.512 156 K N 0.805 121.314 120.400 0.182 0.000 2.173 156 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 156 K C 1.018 177.837 176.600 0.367 0.000 1.046 156 K CA 1.632 58.096 56.287 0.296 0.000 0.929 156 K CB -0.276 32.199 32.500 -0.041 0.000 0.720 156 K HN 0.169 nan 8.250 nan 0.000 0.453 157 T N 1.363 116.036 114.554 0.198 0.000 2.759 157 T HA -0.104 4.246 4.350 -0.000 0.000 0.269 157 T C 2.034 176.766 174.700 0.053 0.000 1.042 157 T CA 1.445 63.630 62.100 0.142 0.000 1.140 157 T CB -0.324 68.589 68.868 0.075 0.000 0.864 157 T HN 0.094 nan 8.240 nan 0.000 0.455 158 V N 0.553 120.424 119.914 -0.072 0.000 2.287 158 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 158 V C 2.088 178.074 176.094 -0.179 0.000 1.053 158 V CA 1.738 63.911 62.300 -0.211 0.000 1.027 158 V CB -0.851 30.706 31.823 -0.442 0.000 0.646 158 V HN 0.583 nan 8.190 nan 0.000 0.447 159 Y N -1.041 119.337 120.300 0.129 0.000 2.200 159 Y HA -0.131 4.419 4.550 -0.000 0.000 0.290 159 Y C 2.415 178.357 175.900 0.070 0.000 1.137 159 Y CA 1.088 59.263 58.100 0.126 0.000 1.163 159 Y CB -0.378 38.182 38.460 0.166 0.000 0.988 159 Y HN 0.119 nan 8.280 nan 0.000 0.518 160 L N 1.022 122.370 121.223 0.209 0.000 2.046 160 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 160 L C 1.398 178.238 176.870 -0.051 0.000 1.077 160 L CA 2.044 56.852 54.840 -0.053 0.000 0.747 160 L CB -0.972 40.974 42.059 -0.188 0.000 0.896 160 L HN 0.384 nan 8.230 nan 0.000 0.432 161 N N -0.164 118.537 118.700 0.001 0.000 2.120 161 N HA -0.263 4.477 4.740 -0.000 0.000 0.188 161 N C 1.757 177.281 175.510 0.022 0.000 1.024 161 N CA 1.251 54.301 53.050 0.001 0.000 0.852 161 N CB 0.033 38.524 38.487 0.007 0.000 1.003 161 N HN 0.232 nan 8.380 nan 0.000 0.424 162 K N 1.272 121.703 120.400 0.051 0.000 2.057 162 K HA -0.020 4.300 4.320 -0.000 0.000 0.207 162 K C 1.910 178.552 176.600 0.069 0.000 1.049 162 K CA 1.116 57.469 56.287 0.110 0.000 0.931 162 K CB -0.126 32.475 32.500 0.169 0.000 0.714 162 K HN 0.120 nan 8.250 nan 0.000 0.440 163 A N 0.650 123.472 122.820 0.003 0.000 1.898 163 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 163 A C 2.132 179.626 177.584 -0.151 0.000 1.181 163 A CA 1.477 53.450 52.037 -0.106 0.000 0.620 163 A CB -0.599 18.302 19.000 -0.165 0.000 0.819 163 A HN 0.330 nan 8.150 nan 0.000 0.442 164 I N -0.205 120.302 120.570 -0.105 0.000 2.226 164 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 164 I C 2.406 178.534 176.117 0.018 0.000 1.100 164 I CA 1.819 63.084 61.300 -0.059 0.000 1.374 164 I CB -0.374 37.623 38.000 -0.006 0.000 1.057 164 I HN 0.487 nan 8.210 nan 0.000 0.413 165 D N 1.136 121.555 120.400 0.032 0.000 2.097 165 D HA -0.200 4.440 4.640 -0.000 0.000 0.197 165 D C 2.228 178.557 176.300 0.048 0.000 0.984 165 D CA 1.251 55.293 54.000 0.069 0.000 0.826 165 D CB 0.164 41.023 40.800 0.099 0.000 0.973 165 D HN 0.193 nan 8.370 nan 0.000 0.460 166 L N 1.052 122.253 121.223 -0.037 0.000 2.056 166 L HA 0.064 4.403 4.340 -0.000 0.000 0.207 166 L C 2.440 179.255 176.870 -0.092 0.000 1.078 166 L CA 2.301 57.029 54.840 -0.187 0.000 0.749 166 L CB -1.035 40.718 42.059 -0.511 0.000 0.901 166 L HN 0.097 nan 8.230 nan 0.000 0.433 167 G N -1.051 107.688 108.800 -0.102 0.000 2.442 167 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 167 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 167 G C 1.282 176.363 174.900 0.303 0.000 1.141 167 G CA 0.915 45.996 45.100 -0.032 0.000 0.763 167 G HN 0.425 nan 8.290 nan 0.000 0.554 168 D N 0.383 120.936 120.400 0.256 0.000 2.144 168 D HA -0.028 4.612 4.640 -0.000 0.000 0.200 168 D C 2.740 179.162 176.300 0.204 0.000 0.978 168 D CA 0.536 54.714 54.000 0.298 0.000 0.833 168 D CB -0.171 40.757 40.800 0.212 0.000 0.961 168 D HN 0.281 nan 8.370 nan 0.000 0.470 169 R N -0.093 120.491 120.500 0.141 0.000 2.075 169 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 169 R C 2.049 178.417 176.300 0.113 0.000 1.126 169 R CA 0.517 56.680 56.100 0.105 0.000 0.963 169 R CB -0.190 30.160 30.300 0.084 0.000 0.858 169 R HN 0.109 nan 8.270 nan 0.000 0.435 170 L N 0.484 121.803 121.223 0.160 0.000 2.109 170 L HA -0.006 4.333 4.340 -0.000 0.000 0.207 170 L C 2.363 179.330 176.870 0.162 0.000 1.086 170 L CA 1.590 56.546 54.840 0.193 0.000 0.760 170 L CB -1.038 41.225 42.059 0.340 0.000 0.910 170 L HN 0.150 nan 8.230 nan 0.000 0.437 171 A N -0.860 122.143 122.820 0.306 0.000 2.024 171 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 171 A C 2.253 179.924 177.584 0.145 0.000 1.164 171 A CA 1.238 53.438 52.037 0.271 0.000 0.643 171 A CB -0.731 18.517 19.000 0.414 0.000 0.806 171 A HN 0.425 nan 8.150 nan 0.000 0.451 172 L N -0.975 120.292 121.223 0.072 0.000 2.353 172 L HA -0.195 4.145 4.340 -0.000 0.000 0.220 172 L C 2.901 179.727 176.870 -0.073 0.000 1.133 172 L CA 0.681 55.532 54.840 0.018 0.000 0.798 172 L CB -0.478 41.592 42.059 0.020 0.000 0.922 172 L HN 0.458 nan 8.230 nan 0.000 0.445 173 A N -0.113 122.589 122.820 -0.196 0.000 2.019 173 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 173 A C 1.849 179.181 177.584 -0.420 0.000 1.164 173 A CA 1.165 52.999 52.037 -0.338 0.000 0.644 173 A CB -0.687 18.041 19.000 -0.454 0.000 0.805 173 A HN 0.406 nan 8.150 nan 0.000 0.449 174 F N -0.414 119.451 119.950 -0.141 0.000 2.802 174 F HA 0.134 4.661 4.527 0.000 0.000 0.300 174 F C 1.397 177.099 175.800 -0.163 0.000 1.168 174 F CA 0.348 58.245 58.000 -0.172 0.000 1.433 174 F CB -0.025 38.870 39.000 -0.174 0.000 1.115 174 F HN 0.099 nan 8.300 nan 0.000 0.582 175 L N -0.768 120.442 121.223 -0.020 0.000 2.607 175 L HA 0.044 4.384 4.340 -0.000 0.000 0.228 175 L C 2.284 179.086 176.870 -0.113 0.000 1.123 175 L CA 0.354 55.166 54.840 -0.045 0.000 0.890 175 L CB -0.409 41.636 42.059 -0.022 0.000 1.103 175 L HN 0.149 nan 8.230 nan 0.000 0.468 176 S N -1.586 113.982 115.700 -0.221 0.000 2.395 176 S HA -0.000 4.470 4.470 -0.000 0.000 0.225 176 S C 1.037 175.427 174.600 -0.351 0.000 1.027 176 S CA 0.386 58.385 58.200 -0.336 0.000 0.965 176 S CB -0.202 62.603 63.200 -0.657 0.000 0.812 176 S HN 0.266 nan 8.310 nan 0.000 0.482 177 T N 2.032 116.375 114.554 -0.353 0.000 2.950 177 T HA 0.372 4.722 4.350 -0.000 0.000 0.288 177 T C 1.020 175.644 174.700 -0.127 0.000 1.035 177 T CA -0.507 61.455 62.100 -0.230 0.000 1.028 177 T CB 1.850 70.563 68.868 -0.260 0.000 1.109 177 T HN 0.485 nan 8.240 nan 0.000 0.514 178 Q N 0.359 120.112 119.800 -0.079 0.000 2.230 178 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 178 Q C 1.797 177.760 176.000 -0.063 0.000 0.963 178 Q CA 1.619 57.389 55.803 -0.056 0.000 0.866 178 Q CB -0.673 28.045 28.738 -0.034 0.000 0.931 178 Q HN 0.790 nan 8.270 nan 0.000 0.452 179 T N -3.499 111.006 114.554 -0.083 0.000 3.023 179 T HA 0.263 4.612 4.350 -0.000 0.000 0.266 179 T C 1.559 176.192 174.700 -0.111 0.000 1.093 179 T CA 0.858 62.901 62.100 -0.095 0.000 1.129 179 T CB 0.146 68.943 68.868 -0.119 0.000 0.899 179 T HN 0.631 nan 8.240 nan 0.000 0.491 180 G N 1.238 109.969 108.800 -0.115 0.000 2.194 180 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.236 180 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.236 180 G C 0.053 174.904 174.900 -0.082 0.000 0.987 180 G CA -0.111 44.941 45.100 -0.080 0.000 0.635 180 G HN 0.639 nan 8.290 nan 0.000 0.520 181 I N 4.103 124.540 120.570 -0.222 0.000 2.452 181 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 181 I C -1.336 174.566 176.117 -0.359 0.000 1.079 181 I CA -1.872 59.180 61.300 -0.414 0.000 1.387 181 I CB 1.026 38.608 38.000 -0.696 0.000 1.404 181 I HN -0.003 nan 8.210 nan 0.000 0.522 182 P HA 0.080 nan 4.420 nan 0.000 0.277 182 P C -1.068 176.140 177.300 -0.154 0.000 1.240 182 P CA -0.171 62.739 63.100 -0.317 0.000 0.798 182 P CB 0.640 32.095 31.700 -0.408 0.000 0.979 183 Y N 0.014 120.232 120.300 -0.137 0.000 2.299 183 Y HA 0.038 4.587 4.550 -0.000 0.000 0.335 183 Y C 2.401 178.262 175.900 -0.065 0.000 1.287 183 Y CA -0.479 57.566 58.100 -0.091 0.000 1.424 183 Y CB -0.511 37.904 38.460 -0.076 0.000 1.326 183 Y HN 0.363 nan 8.280 nan 0.000 0.567 184 S N -0.174 115.606 115.700 0.133 0.000 2.383 184 S HA -0.085 4.385 4.470 -0.000 0.000 0.229 184 S C 0.376 175.020 174.600 0.072 0.000 1.030 184 S CA 1.312 59.563 58.200 0.085 0.000 1.002 184 S CB -0.153 63.069 63.200 0.037 0.000 0.829 184 S HN 0.543 nan 8.310 nan 0.000 0.467 185 S N -0.310 115.418 115.700 0.046 0.000 2.638 185 S HA 0.767 5.237 4.470 -0.000 0.000 0.302 185 S C -0.648 173.985 174.600 0.055 0.000 1.096 185 S CA -0.691 57.537 58.200 0.047 0.000 0.953 185 S CB 2.257 65.466 63.200 0.015 0.000 1.107 185 S HN 0.332 nan 8.310 nan 0.000 0.503 186 I N 1.499 122.104 120.570 0.059 0.000 2.827 186 I HA 0.365 4.535 4.170 -0.000 0.000 0.298 186 I C -1.513 174.649 176.117 0.075 0.000 1.235 186 I CA -0.637 60.696 61.300 0.055 0.000 1.021 186 I CB 1.934 39.949 38.000 0.025 0.000 1.259 186 I HN 0.563 nan 8.210 nan 0.000 0.427 187 N N 6.649 125.396 118.700 0.078 0.000 2.422 187 N HA 0.236 4.976 4.740 -0.000 0.000 0.264 187 N C 0.637 176.213 175.510 0.109 0.000 1.063 187 N CA -0.075 53.035 53.050 0.100 0.000 0.959 187 N CB 1.359 39.908 38.487 0.105 0.000 1.087 187 N HN 0.697 nan 8.380 nan 0.000 0.483 188 L N 2.530 123.836 121.223 0.137 0.000 2.265 188 L HA -0.141 4.199 4.340 -0.000 0.000 0.215 188 L C 2.164 179.135 176.870 0.167 0.000 1.117 188 L CA 0.818 55.749 54.840 0.153 0.000 0.782 188 L CB -0.444 41.735 42.059 0.200 0.000 0.914 188 L HN 0.684 nan 8.230 nan 0.000 0.441 189 H N -0.476 118.643 119.070 0.080 0.000 2.388 189 H HA -0.056 4.500 4.556 -0.000 0.000 0.304 189 H C 2.322 177.684 175.328 0.056 0.000 1.049 189 H CA 1.560 57.648 56.048 0.067 0.000 1.371 189 H CB 0.437 30.233 29.762 0.057 0.000 1.436 189 H HN 0.309 nan 8.280 nan 0.000 0.544 190 S N -0.821 114.864 115.700 -0.025 0.000 2.439 190 S HA 0.155 4.625 4.470 -0.000 0.000 0.224 190 S C 1.723 176.299 174.600 -0.041 0.000 1.029 190 S CA 0.845 58.996 58.200 -0.082 0.000 0.946 190 S CB 0.164 63.400 63.200 0.060 0.000 0.797 190 S HN 0.741 nan 8.310 nan 0.000 0.504 191 G N 0.915 109.719 108.800 0.007 0.000 2.157 191 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 191 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 191 G C -0.157 174.754 174.900 0.019 0.000 0.979 191 G CA 0.206 45.313 45.100 0.011 0.000 0.650 191 G HN 0.780 nan 8.290 nan 0.000 0.529 192 Q N 0.597 120.419 119.800 0.037 0.000 2.296 192 Q HA 0.619 4.959 4.340 -0.000 0.000 0.262 192 Q C 0.443 176.481 176.000 0.063 0.000 0.981 192 Q CA 0.298 56.131 55.803 0.049 0.000 0.905 192 Q CB 0.773 29.547 28.738 0.061 0.000 1.186 192 Q HN 0.865 nan 8.270 nan 0.000 0.399 193 A N 3.640 126.508 122.820 0.079 0.000 2.293 193 A HA 0.623 4.943 4.320 -0.000 0.000 0.302 193 A C -1.095 176.616 177.584 0.212 0.000 1.119 193 A CA -0.615 51.499 52.037 0.129 0.000 0.823 193 A CB 1.712 20.763 19.000 0.086 0.000 1.097 193 A HN 0.607 nan 8.150 nan 0.000 0.491 194 V N 2.647 122.665 119.914 0.174 0.000 2.668 194 V HA 0.400 4.520 4.120 -0.000 0.000 0.304 194 V C -0.274 175.762 176.094 -0.097 0.000 1.071 194 V CA -0.856 61.462 62.300 0.031 0.000 0.894 194 V CB 1.643 33.465 31.823 -0.001 0.000 1.008 194 V HN 1.013 nan 8.190 nan 0.000 0.425 195 K N 4.091 124.264 120.400 -0.378 0.000 2.286 195 K HA 0.100 4.420 4.320 -0.000 0.000 0.256 195 K C 0.483 176.912 176.600 -0.284 0.000 0.999 195 K CA 0.086 56.116 56.287 -0.429 0.000 0.908 195 K CB 0.277 32.431 32.500 -0.577 0.000 0.981 195 K HN 0.857 nan 8.250 nan 0.000 0.500 196 N N 1.194 119.780 118.700 -0.191 0.000 2.412 196 N HA -0.106 4.634 4.740 -0.000 0.000 0.258 196 N C 0.815 176.231 175.510 -0.157 0.000 1.236 196 N CA -0.385 52.565 53.050 -0.167 0.000 0.882 196 N CB 0.482 38.928 38.487 -0.068 0.000 1.066 196 N HN 0.469 nan 8.380 nan 0.000 0.465 197 H N 2.048 121.102 119.070 -0.027 0.000 2.422 197 H HA -0.062 4.494 4.556 -0.000 0.000 0.298 197 H C 0.646 175.947 175.328 -0.045 0.000 1.098 197 H CA 1.357 57.385 56.048 -0.032 0.000 1.315 197 H CB 0.005 29.759 29.762 -0.013 0.000 1.382 197 H HN 0.602 nan 8.280 nan 0.000 0.523 198 A N -0.312 122.538 122.820 0.050 0.000 2.468 198 A HA 0.381 4.701 4.320 -0.000 0.000 0.277 198 A C -0.140 177.360 177.584 -0.140 0.000 1.203 198 A CA -0.136 51.884 52.037 -0.028 0.000 0.932 198 A CB 0.953 19.940 19.000 -0.021 0.000 1.438 198 A HN 0.327 nan 8.150 nan 0.000 0.468 199 D N -1.381 118.891 120.400 -0.214 0.000 2.870 199 D HA -0.180 4.460 4.640 -0.000 0.000 0.228 199 D C 0.900 177.066 176.300 -0.223 0.000 1.147 199 D CA 1.929 55.691 54.000 -0.397 0.000 0.757 199 D CB -1.709 38.533 40.800 -0.930 0.000 1.091 199 D HN 2.045 nan 8.370 nan 0.000 0.429 200 G N -0.861 107.910 108.800 -0.048 0.000 2.166 200 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.260 200 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.260 200 G C 1.175 176.176 174.900 0.169 0.000 0.986 200 G CA 1.147 46.313 45.100 0.111 0.000 0.683 200 G HN 1.633 nan 8.290 nan 0.000 0.527 201 G N -1.942 106.866 108.800 0.014 0.000 2.157 201 G HA2 0.217 4.177 3.960 -0.000 0.000 0.248 201 G HA3 0.217 4.177 3.960 -0.000 0.000 0.248 201 G C 0.751 175.636 174.900 -0.024 0.000 0.979 201 G CA 1.086 46.180 45.100 -0.010 0.000 0.650 201 G HN 2.276 nan 8.290 nan 0.000 0.529 202 A N 0.044 122.754 122.820 -0.183 0.000 2.371 202 A HA 0.768 5.088 4.320 -0.000 0.000 0.257 202 A C 0.815 178.354 177.584 -0.076 0.000 1.089 202 A CA 0.872 52.698 52.037 -0.351 0.000 0.794 202 A CB 0.612 19.089 19.000 -0.872 0.000 1.029 202 A HN 0.970 nan 8.150 nan 0.000 0.488 203 S N 0.373 116.099 115.700 0.043 0.000 2.646 203 S HA 0.425 4.895 4.470 -0.000 0.000 0.276 203 S C 0.369 175.137 174.600 0.278 0.000 1.222 203 S CA -0.480 57.824 58.200 0.174 0.000 1.014 203 S CB 1.131 64.441 63.200 0.184 0.000 0.991 203 S HN 0.709 nan 8.310 nan 0.000 0.533 204 S N 2.051 117.864 115.700 0.189 0.000 2.505 204 S HA 0.098 4.568 4.470 -0.000 0.000 0.276 204 S C 1.436 175.929 174.600 -0.179 0.000 1.274 204 S CA -0.533 57.625 58.200 -0.070 0.000 1.053 204 S CB 0.914 64.010 63.200 -0.173 0.000 0.919 204 S HN 0.753 nan 8.310 nan 0.000 0.490 205 T N 3.585 117.930 114.554 -0.348 0.000 2.665 205 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 205 T C 2.115 176.267 174.700 -0.914 0.000 1.035 205 T CA 1.668 63.357 62.100 -0.685 0.000 1.151 205 T CB -0.393 68.145 68.868 -0.550 0.000 0.862 205 T HN 0.751 nan 8.240 nan 0.000 0.438 206 A N 1.282 123.728 122.820 -0.623 0.000 2.019 206 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 206 A C 2.181 179.397 177.584 -0.613 0.000 1.164 206 A CA 1.412 53.118 52.037 -0.552 0.000 0.644 206 A CB -0.504 18.193 19.000 -0.504 0.000 0.805 206 A HN 0.580 nan 8.150 nan 0.000 0.449 207 E N -0.931 118.911 120.200 -0.596 0.000 2.153 207 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 207 E C 1.244 177.835 176.600 -0.016 0.000 0.988 207 E CA 1.497 57.649 56.400 -0.414 0.000 0.811 207 E CB -0.214 29.365 29.700 -0.201 0.000 0.746 207 E HN 0.957 nan 8.360 nan 0.000 0.466 208 F N -1.249 118.666 119.950 -0.058 0.000 2.678 208 F HA 0.264 4.791 4.527 -0.000 0.000 0.305 208 F C 1.370 177.169 175.800 -0.002 0.000 1.090 208 F CA 0.112 58.120 58.000 0.014 0.000 1.272 208 F CB -0.016 38.977 39.000 -0.012 0.000 1.060 208 F HN -0.213 nan 8.300 nan 0.000 0.576 209 T N -3.542 110.842 114.554 -0.282 0.000 3.182 209 T HA 0.246 4.596 4.350 -0.000 0.000 0.277 209 T C 0.463 175.139 174.700 -0.040 0.000 1.013 209 T CA -0.005 62.015 62.100 -0.133 0.000 0.900 209 T CB -0.273 68.563 68.868 -0.053 0.000 1.098 209 T HN 0.109 nan 8.240 nan 0.000 0.543 210 T N 2.008 116.522 114.554 -0.066 0.000 3.533 210 T HA 0.436 4.786 4.350 -0.000 0.000 0.275 210 T C 0.594 175.363 174.700 0.114 0.000 1.000 210 T CA -0.346 61.552 62.100 -0.337 0.000 1.015 210 T CB -0.094 68.554 68.868 -0.367 0.000 1.153 210 T HN 0.302 nan 8.240 nan 0.000 0.504 211 L N -0.656 120.797 121.223 0.383 0.000 3.039 211 L HA 0.262 4.602 4.340 -0.000 0.000 0.269 211 L C 2.048 179.267 176.870 0.581 0.000 1.169 211 L CA -0.108 55.054 54.840 0.537 0.000 0.986 211 L CB 0.103 42.526 42.059 0.607 0.000 1.377 211 L HN 0.071 nan 8.230 nan 0.000 0.575 212 Q N 0.489 120.580 119.800 0.486 0.000 2.079 212 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 212 Q C 2.214 178.279 176.000 0.109 0.000 0.974 212 Q CA 1.774 57.725 55.803 0.248 0.000 0.840 212 Q CB -0.203 28.616 28.738 0.136 0.000 0.898 212 Q HN 0.424 nan 8.270 nan 0.000 0.430 213 M N -0.073 119.539 119.600 0.020 0.000 2.086 213 M HA -0.203 4.277 4.480 -0.000 0.000 0.261 213 M C 1.685 178.165 176.300 0.300 0.000 1.067 213 M CA 1.495 56.774 55.300 -0.035 0.000 1.116 213 M CB -0.197 32.191 32.600 -0.353 0.000 1.348 213 M HN 0.113 nan 8.290 nan 0.000 0.407 214 E N 0.169 120.581 120.200 0.353 0.000 2.031 214 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 214 E C 1.665 178.233 176.600 -0.054 0.000 0.994 214 E CA 1.523 58.053 56.400 0.217 0.000 0.800 214 E CB -0.404 29.336 29.700 0.066 0.000 0.752 214 E HN 0.371 nan 8.360 nan 0.000 0.447 215 F N 1.070 121.089 119.950 0.115 0.000 2.259 215 F HA -0.027 4.499 4.527 -0.000 0.000 0.298 215 F C 1.954 177.819 175.800 0.107 0.000 1.088 215 F CA 1.037 59.073 58.000 0.060 0.000 1.358 215 F CB -0.041 39.035 39.000 0.126 0.000 1.040 215 F HN -0.087 nan 8.300 nan 0.000 0.505 216 K N -1.158 119.387 120.400 0.242 0.000 2.103 216 K HA -0.192 4.128 4.320 -0.000 0.000 0.204 216 K C 1.972 178.785 176.600 0.356 0.000 1.052 216 K CA 1.136 57.579 56.287 0.260 0.000 0.945 216 K CB -0.485 31.937 32.500 -0.130 0.000 0.722 216 K HN 0.196 nan 8.250 nan 0.000 0.443 217 Y N 1.717 122.032 120.300 0.026 0.000 2.242 217 Y HA -0.161 4.389 4.550 -0.000 0.000 0.291 217 Y C 1.906 177.772 175.900 -0.057 0.000 1.137 217 Y CA 0.722 58.764 58.100 -0.096 0.000 1.181 217 Y CB -0.380 37.793 38.460 -0.478 0.000 0.989 217 Y HN -0.065 nan 8.280 nan 0.000 0.527 218 L N 0.563 121.677 121.223 -0.180 0.000 2.093 218 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 218 L C 2.415 179.259 176.870 -0.044 0.000 1.085 218 L CA 2.056 56.694 54.840 -0.337 0.000 0.755 218 L CB -1.222 40.503 42.059 -0.558 0.000 0.904 218 L HN 0.199 nan 8.230 nan 0.000 0.435 219 A N -1.350 121.615 122.820 0.243 0.000 1.902 219 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 219 A C 2.295 180.034 177.584 0.257 0.000 1.181 219 A CA 1.762 54.048 52.037 0.416 0.000 0.623 219 A CB -1.164 18.178 19.000 0.570 0.000 0.818 219 A HN 0.637 nan 8.150 nan 0.000 0.443 220 Y N 0.475 120.862 120.300 0.145 0.000 2.181 220 Y HA -0.132 4.418 4.550 -0.000 0.000 0.288 220 Y C 1.877 177.767 175.900 -0.017 0.000 1.146 220 Y CA 1.901 60.057 58.100 0.092 0.000 1.164 220 Y CB -0.198 38.379 38.460 0.196 0.000 0.982 220 Y HN 0.209 nan 8.280 nan 0.000 0.515 221 L N -0.570 120.606 121.223 -0.078 0.000 2.156 221 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 221 L C 2.344 179.089 176.870 -0.208 0.000 1.095 221 L CA 1.716 56.401 54.840 -0.257 0.000 0.770 221 L CB -0.703 41.059 42.059 -0.495 0.000 0.914 221 L HN 0.378 nan 8.230 nan 0.000 0.439 222 T N -4.669 109.821 114.554 -0.106 0.000 3.037 222 T HA 0.216 4.566 4.350 -0.000 0.000 0.251 222 T C 1.506 176.191 174.700 -0.025 0.000 1.079 222 T CA 0.474 62.554 62.100 -0.034 0.000 1.067 222 T CB 0.624 69.550 68.868 0.097 0.000 0.948 222 T HN 0.390 nan 8.240 nan 0.000 0.496 223 G N 1.854 110.631 108.800 -0.038 0.000 2.155 223 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 223 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 223 G C 0.017 174.908 174.900 -0.016 0.000 0.983 223 G CA 0.067 45.135 45.100 -0.054 0.000 0.676 223 G HN 0.678 nan 8.290 nan 0.000 0.528 224 N N 0.411 119.141 118.700 0.050 0.000 2.469 224 N HA 0.290 5.030 4.740 -0.000 0.000 0.239 224 N C 1.697 177.225 175.510 0.029 0.000 1.053 224 N CA -0.387 52.664 53.050 0.002 0.000 0.937 224 N CB 0.281 38.745 38.487 -0.039 0.000 1.163 224 N HN 0.465 nan 8.380 nan 0.000 0.509 225 R N 1.047 121.535 120.500 -0.020 0.000 2.152 225 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 225 R C 1.470 177.802 176.300 0.055 0.000 1.117 225 R CA 1.285 57.391 56.100 0.010 0.000 0.981 225 R CB -0.065 30.201 30.300 -0.057 0.000 0.870 225 R HN 0.448 nan 8.270 nan 0.000 0.451 226 T N 0.559 115.067 114.554 -0.077 0.000 2.699 226 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 226 T C 1.434 176.111 174.700 -0.038 0.000 1.036 226 T CA 1.531 63.564 62.100 -0.112 0.000 1.147 226 T CB -0.360 68.365 68.868 -0.238 0.000 0.862 226 T HN 0.357 nan 8.240 nan 0.000 0.446 227 Y N -0.292 120.091 120.300 0.138 0.000 2.181 227 Y HA -0.165 4.385 4.550 -0.000 0.000 0.288 227 Y C 2.577 178.569 175.900 0.154 0.000 1.146 227 Y CA 0.864 59.070 58.100 0.176 0.000 1.164 227 Y CB -0.243 38.433 38.460 0.359 0.000 0.982 227 Y HN 0.302 nan 8.280 nan 0.000 0.515 228 W N 1.907 123.326 121.300 0.199 0.000 2.379 228 W HA -0.168 4.492 4.660 -0.000 0.000 0.307 228 W C 1.610 178.156 176.519 0.045 0.000 1.200 228 W CA 2.044 59.472 57.345 0.138 0.000 1.297 228 W CB -0.357 29.193 29.460 0.150 0.000 1.140 228 W HN 0.240 nan 8.180 nan 0.000 0.507 229 E N 0.496 120.924 120.200 0.379 0.000 2.077 229 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 229 E C 2.328 178.910 176.600 -0.030 0.000 0.989 229 E CA 1.778 58.305 56.400 0.212 0.000 0.800 229 E CB -0.671 29.106 29.700 0.129 0.000 0.746 229 E HN 0.275 nan 8.360 nan 0.000 0.452 230 L N 0.349 121.455 121.223 -0.195 0.000 2.046 230 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 230 L C 2.552 178.896 176.870 -0.876 0.000 1.077 230 L CA 0.628 55.148 54.840 -0.534 0.000 0.747 230 L CB -0.345 41.300 42.059 -0.691 0.000 0.896 230 L HN 0.080 nan 8.230 nan 0.000 0.432 231 V N 0.588 120.049 119.914 -0.755 0.000 2.667 231 V HA -0.207 3.913 4.120 -0.000 0.000 0.252 231 V C 2.428 178.391 176.094 -0.217 0.000 1.065 231 V CA 1.886 63.840 62.300 -0.576 0.000 1.083 231 V CB -0.256 31.415 31.823 -0.253 0.000 0.692 231 V HN 0.665 nan 8.190 nan 0.000 0.468 232 E N -0.169 119.962 120.200 -0.115 0.000 2.299 232 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 232 E C 2.160 178.765 176.600 0.009 0.000 0.998 232 E CA 0.577 57.044 56.400 0.113 0.000 0.851 232 E CB -0.382 29.439 29.700 0.201 0.000 0.795 232 E HN 0.416 nan 8.360 nan 0.000 0.492 233 R N 1.781 122.213 120.500 -0.113 0.000 2.159 233 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 233 R C 2.369 178.537 176.300 -0.219 0.000 1.131 233 R CA 1.615 57.618 56.100 -0.162 0.000 0.982 233 R CB -0.996 29.222 30.300 -0.137 0.000 0.868 233 R HN 0.320 nan 8.270 nan 0.000 0.453 234 V N -1.463 118.317 119.914 -0.223 0.000 2.594 234 V HA -0.207 3.913 4.120 -0.000 0.000 0.253 234 V C 1.600 177.552 176.094 -0.237 0.000 1.069 234 V CA 1.484 63.657 62.300 -0.213 0.000 1.082 234 V CB -0.962 30.806 31.823 -0.093 0.000 0.680 234 V HN 0.280 nan 8.190 nan 0.000 0.469 235 Y N 1.217 121.396 120.300 -0.203 0.000 2.200 235 Y HA -0.082 4.468 4.550 0.000 0.000 0.290 235 Y C 2.811 178.463 175.900 -0.415 0.000 1.137 235 Y CA 1.997 59.951 58.100 -0.243 0.000 1.163 235 Y CB -0.308 37.901 38.460 -0.418 0.000 0.988 235 Y HN 0.323 nan 8.280 nan 0.000 0.518 236 E N 0.662 120.488 120.200 -0.623 0.000 2.038 236 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 236 E C -0.647 175.939 176.600 -0.025 0.000 1.000 236 E CA 1.736 57.963 56.400 -0.288 0.000 0.803 236 E CB -0.889 28.709 29.700 -0.171 0.000 0.750 236 E HN 0.250 nan 8.360 nan 0.000 0.448 237 P HA -0.164 nan 4.420 nan 0.000 0.217 237 P C 1.788 179.048 177.300 -0.067 0.000 1.150 237 P CA 0.907 63.976 63.100 -0.052 0.000 0.832 237 P CB -0.109 31.537 31.700 -0.091 0.000 0.787 238 L N -1.023 120.165 121.223 -0.059 0.000 2.012 238 L HA -0.161 4.178 4.340 -0.000 0.000 0.210 238 L C 2.672 179.448 176.870 -0.156 0.000 1.073 238 L CA 1.973 56.725 54.840 -0.148 0.000 0.748 238 L CB -1.468 40.584 42.059 -0.013 0.000 0.891 238 L HN -0.175 nan 8.230 nan 0.000 0.431 239 Y N -0.493 119.835 120.300 0.046 0.000 2.243 239 Y HA -0.110 4.440 4.550 -0.000 0.000 0.293 239 Y C 2.478 178.444 175.900 0.110 0.000 1.124 239 Y CA 1.288 59.474 58.100 0.143 0.000 1.159 239 Y CB -0.152 38.485 38.460 0.294 0.000 1.008 239 Y HN 0.060 nan 8.280 nan 0.000 0.527 240 K N 0.010 120.555 120.400 0.242 0.000 2.031 240 K HA -0.074 4.245 4.320 -0.000 0.000 0.205 240 K C 1.406 178.058 176.600 0.086 0.000 1.049 240 K CA 1.077 57.463 56.287 0.166 0.000 0.939 240 K CB -0.581 32.007 32.500 0.146 0.000 0.717 240 K HN 0.299 nan 8.250 nan 0.000 0.438 241 N N 1.293 120.004 118.700 0.019 0.000 2.453 241 N HA -0.091 4.649 4.740 -0.000 0.000 0.183 241 N C 0.712 176.205 175.510 -0.028 0.000 1.041 241 N CA 0.907 53.946 53.050 -0.017 0.000 0.900 241 N CB -0.204 38.244 38.487 -0.064 0.000 0.961 241 N HN 0.335 nan 8.380 nan 0.000 0.443 242 N N -0.230 118.434 118.700 -0.060 0.000 2.184 242 N HA 0.009 4.749 4.740 -0.000 0.000 0.206 242 N C -0.762 174.882 175.510 0.223 0.000 1.151 242 N CA -0.108 52.948 53.050 0.009 0.000 0.878 242 N CB 0.633 38.905 38.487 -0.359 0.000 1.014 242 N HN -0.077 nan 8.380 nan 0.000 0.512 243 D N 0.277 120.785 120.400 0.180 0.000 2.689 243 D HA -0.172 4.468 4.640 -0.000 0.000 0.237 243 D C 0.817 177.306 176.300 0.315 0.000 1.148 243 D CA 0.023 54.156 54.000 0.222 0.000 0.656 243 D CB -0.865 40.045 40.800 0.183 0.000 1.050 243 D HN 0.137 nan 8.370 nan 0.000 0.426 244 L N 0.391 121.790 121.223 0.293 0.000 2.013 244 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 244 L C 2.019 179.087 176.870 0.330 0.000 1.073 244 L CA 1.912 56.931 54.840 0.298 0.000 0.753 244 L CB -0.550 41.480 42.059 -0.048 0.000 0.890 244 L HN 0.539 nan 8.230 nan 0.000 0.432 245 L N -0.669 120.764 121.223 0.351 0.000 2.005 245 L HA -0.231 4.109 4.340 -0.000 0.000 0.207 245 L C 2.504 179.503 176.870 0.215 0.000 1.072 245 L CA 1.953 56.975 54.840 0.302 0.000 0.744 245 L CB -0.805 41.430 42.059 0.293 0.000 0.895 245 L HN 0.536 nan 8.230 nan 0.000 0.433 246 N N -0.758 118.056 118.700 0.190 0.000 2.109 246 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 246 N C 1.662 177.227 175.510 0.092 0.000 1.034 246 N CA 1.871 54.999 53.050 0.131 0.000 0.846 246 N CB 0.184 38.740 38.487 0.115 0.000 1.010 246 N HN 0.200 nan 8.380 nan 0.000 0.425 247 T N -0.689 113.921 114.554 0.094 0.000 2.851 247 T HA -0.023 4.327 4.350 -0.000 0.000 0.262 247 T C 0.789 175.350 174.700 -0.231 0.000 1.043 247 T CA 1.004 63.061 62.100 -0.072 0.000 1.140 247 T CB -0.180 68.615 68.868 -0.123 0.000 0.872 247 T HN 0.333 nan 8.240 nan 0.000 0.446 248 Y N 0.806 121.118 120.300 0.020 0.000 2.467 248 Y HA 0.261 4.811 4.550 -0.000 0.000 0.250 248 Y C 0.478 176.337 175.900 -0.068 0.000 1.155 248 Y CA -0.894 57.170 58.100 -0.060 0.000 1.249 248 Y CB 0.117 38.547 38.460 -0.049 0.000 1.146 248 Y HN 0.020 nan 8.280 nan 0.000 0.524 249 D N 0.578 121.055 120.400 0.128 0.000 2.751 249 D HA -0.193 4.447 4.640 -0.000 0.000 0.233 249 D C 1.471 177.889 176.300 0.197 0.000 1.149 249 D CA 1.585 55.670 54.000 0.142 0.000 0.682 249 D CB -1.241 39.631 40.800 0.121 0.000 1.068 249 D HN 0.687 nan 8.370 nan 0.000 0.429 250 G N -1.096 107.853 108.800 0.249 0.000 2.155 250 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 250 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 250 G C 0.309 175.404 174.900 0.325 0.000 0.983 250 G CA 0.482 45.767 45.100 0.308 0.000 0.676 250 G HN 0.499 nan 8.290 nan 0.000 0.528 251 L N 0.942 122.294 121.223 0.214 0.000 2.272 251 L HA 0.607 4.947 4.340 -0.000 0.000 0.289 251 L C 0.800 177.587 176.870 -0.138 0.000 1.032 251 L CA -1.257 53.701 54.840 0.198 0.000 0.810 251 L CB 1.773 43.925 42.059 0.155 0.000 1.205 251 L HN 0.166 nan 8.230 nan 0.000 0.422 252 V N 1.978 121.693 119.914 -0.332 0.000 2.439 252 V HA 0.547 4.667 4.120 -0.000 0.000 0.282 252 V C -2.460 173.144 176.094 -0.816 0.000 1.039 252 V CA -2.334 59.454 62.300 -0.853 0.000 0.913 252 V CB 0.947 32.120 31.823 -1.085 0.000 0.983 252 V HN 0.500 nan 8.190 nan 0.000 0.460 253 P HA 0.291 nan 4.420 nan 0.000 0.272 253 P C 1.146 178.085 177.300 -0.602 0.000 1.223 253 P CA -0.234 62.435 63.100 -0.719 0.000 0.784 253 P CB 0.604 31.850 31.700 -0.758 0.000 0.923 254 I N -1.712 118.587 120.570 -0.452 0.000 3.176 254 I HA 0.030 4.200 4.170 -0.000 0.000 0.275 254 I C -0.280 175.404 176.117 -0.722 0.000 1.298 254 I CA 0.829 61.781 61.300 -0.580 0.000 1.445 254 I CB -0.562 37.060 38.000 -0.631 0.000 1.075 254 I HN 0.165 nan 8.210 nan 0.000 0.482 255 Y N 0.706 120.905 120.300 -0.167 0.000 2.409 255 Y HA 0.552 5.102 4.550 0.000 0.000 0.343 255 Y C -0.190 175.670 175.900 -0.067 0.000 0.973 255 Y CA -0.893 57.119 58.100 -0.147 0.000 1.064 255 Y CB 2.175 40.504 38.460 -0.217 0.000 1.207 255 Y HN -0.157 nan 8.280 nan 0.000 0.452 256 T N 3.897 118.526 114.554 0.124 0.000 2.928 256 T HA 0.391 4.741 4.350 -0.000 0.000 0.296 256 T C -0.928 173.731 174.700 -0.069 0.000 1.000 256 T CA -0.833 61.331 62.100 0.107 0.000 0.989 256 T CB 0.494 69.535 68.868 0.289 0.000 1.005 256 T HN 0.248 nan 8.240 nan 0.000 0.442 257 F N 3.853 123.841 119.950 0.062 0.000 2.506 257 F HA 0.256 4.782 4.527 -0.000 0.000 0.371 257 F C -1.326 174.448 175.800 -0.044 0.000 1.078 257 F CA -1.903 56.106 58.000 0.015 0.000 1.195 257 F CB 0.817 39.821 39.000 0.006 0.000 1.099 257 F HN 0.446 nan 8.300 nan 0.000 0.548 258 P HA -0.173 nan 4.420 nan 0.000 0.215 258 P C 1.026 178.340 177.300 0.024 0.000 1.153 258 P CA 1.389 64.491 63.100 0.003 0.000 0.853 258 P CB 0.247 32.048 31.700 0.169 0.000 0.788 259 D N -1.290 119.185 120.400 0.125 0.000 2.178 259 D HA -0.099 4.541 4.640 -0.000 0.000 0.202 259 D C 1.805 178.116 176.300 0.017 0.000 0.974 259 D CA 2.020 56.061 54.000 0.069 0.000 0.841 259 D CB -0.629 40.223 40.800 0.087 0.000 0.953 259 D HN 0.325 nan 8.370 nan 0.000 0.478 260 T N -4.105 110.467 114.554 0.031 0.000 2.990 260 T HA 0.351 4.701 4.350 -0.000 0.000 0.249 260 T C 1.729 176.415 174.700 -0.023 0.000 1.039 260 T CA 0.746 62.846 62.100 0.000 0.000 1.036 260 T CB 0.797 69.664 68.868 -0.003 0.000 0.994 260 T HN 0.175 nan 8.240 nan 0.000 0.489 261 G N 1.795 110.576 108.800 -0.032 0.000 2.162 261 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 261 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 261 G C -0.070 174.733 174.900 -0.162 0.000 0.976 261 G CA 0.302 45.333 45.100 -0.114 0.000 0.655 261 G HN 0.669 nan 8.290 nan 0.000 0.533 262 K N -0.245 120.129 120.400 -0.043 0.000 2.143 262 K HA 0.547 4.867 4.320 -0.000 0.000 0.272 262 K C 0.270 176.916 176.600 0.078 0.000 1.001 262 K CA -0.759 55.498 56.287 -0.050 0.000 0.915 262 K CB 0.901 33.440 32.500 0.064 0.000 1.047 262 K HN 0.135 nan 8.250 nan 0.000 0.458 263 F N 0.621 120.617 119.950 0.076 0.000 2.553 263 F HA 0.080 4.607 4.527 -0.000 0.000 0.356 263 F C 1.525 177.416 175.800 0.151 0.000 1.142 263 F CA -0.197 57.813 58.000 0.017 0.000 1.322 263 F CB 0.591 39.520 39.000 -0.118 0.000 1.126 263 F HN 0.545 nan 8.300 nan 0.000 0.599 264 G N 0.901 109.867 108.800 0.276 0.000 2.412 264 G HA2 0.528 4.488 3.960 -0.000 0.000 0.318 264 G HA3 0.528 4.488 3.960 -0.000 0.000 0.318 264 G C -1.006 174.024 174.900 0.216 0.000 1.146 264 G CA -0.895 44.370 45.100 0.274 0.000 0.882 264 G HN 0.919 nan 8.290 nan 0.000 0.501 265 A N 1.032 123.984 122.820 0.219 0.000 2.526 265 A HA 0.513 4.833 4.320 -0.000 0.000 0.267 265 A C 0.842 178.506 177.584 0.132 0.000 1.095 265 A CA 0.702 52.834 52.037 0.159 0.000 0.775 265 A CB -0.671 18.413 19.000 0.140 0.000 1.036 265 A HN 1.891 nan 8.150 nan 0.000 0.510 266 S N 1.241 117.002 115.700 0.102 0.000 2.636 266 S HA 0.628 5.098 4.470 -0.000 0.000 0.268 266 S C -0.316 174.299 174.600 0.026 0.000 1.159 266 S CA -0.670 57.591 58.200 0.101 0.000 0.815 266 S CB 0.562 63.870 63.200 0.181 0.000 1.130 266 S HN 0.628 nan 8.310 nan 0.000 0.471 267 T N 1.484 116.049 114.554 0.017 0.000 2.918 267 T HA 0.435 4.785 4.350 -0.000 0.000 0.302 267 T C -0.092 174.566 174.700 -0.069 0.000 1.045 267 T CA -0.081 62.016 62.100 -0.005 0.000 1.114 267 T CB -0.143 68.735 68.868 0.017 0.000 0.965 267 T HN 0.485 nan 8.240 nan 0.000 0.540 268 I N 4.448 124.996 120.570 -0.036 0.000 2.328 268 I HA 0.445 4.615 4.170 -0.000 0.000 0.287 268 I C 0.447 176.592 176.117 0.046 0.000 1.012 268 I CA -0.526 60.747 61.300 -0.046 0.000 1.195 268 I CB 0.436 38.423 38.000 -0.020 0.000 1.350 268 I HN 0.596 nan 8.210 nan 0.000 0.464 269 R N 4.263 124.799 120.500 0.059 0.000 2.739 269 R HA 0.431 4.771 4.340 -0.000 0.000 0.271 269 R C -1.139 175.300 176.300 0.233 0.000 1.010 269 R CA -0.754 55.444 56.100 0.164 0.000 0.897 269 R CB 1.060 31.419 30.300 0.100 0.000 1.236 269 R HN 0.291 nan 8.270 nan 0.000 0.466 270 F N 0.498 120.496 119.950 0.081 0.000 2.693 270 F HA 0.293 4.820 4.527 -0.000 0.000 0.303 270 F C 1.360 177.258 175.800 0.163 0.000 1.097 270 F CA 0.153 58.238 58.000 0.141 0.000 1.330 270 F CB 1.047 40.073 39.000 0.042 0.000 1.067 270 F HN 0.835 nan 8.300 nan 0.000 0.565 271 G N -0.261 108.668 108.800 0.216 0.000 2.582 271 G HA2 0.204 4.164 3.960 -0.000 0.000 0.232 271 G HA3 0.204 4.164 3.960 -0.000 0.000 0.232 271 G C -0.176 174.744 174.900 0.035 0.000 1.458 271 G CA -0.233 44.947 45.100 0.134 0.000 1.062 271 G HN 0.184 nan 8.290 nan 0.000 0.566 272 S N -1.298 114.404 115.700 0.003 0.000 2.558 272 S HA 0.136 4.606 4.470 -0.000 0.000 0.291 272 S C 0.948 175.459 174.600 -0.149 0.000 1.306 272 S CA 0.937 59.099 58.200 -0.064 0.000 1.056 272 S CB 0.580 63.765 63.200 -0.025 0.000 0.836 272 S HN 0.822 nan 8.310 nan 0.000 0.504 273 R N 0.944 121.297 120.500 -0.244 0.000 3.840 273 R HA -0.172 4.168 4.340 -0.000 0.000 0.464 273 R C 1.078 177.152 176.300 -0.376 0.000 0.986 273 R CA 1.242 57.126 56.100 -0.360 0.000 1.305 273 R CB -2.080 27.974 30.300 -0.410 0.000 1.950 273 R HN 0.883 nan 8.270 nan 0.000 0.526 274 G N 0.462 109.102 108.800 -0.266 0.000 2.831 274 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.200 274 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.200 274 G C 0.791 175.612 174.900 -0.132 0.000 1.130 274 G CA 0.554 45.513 45.100 -0.235 0.000 0.678 274 G HN 0.285 nan 8.290 nan 0.000 0.795 275 D N 2.900 123.274 120.400 -0.043 0.000 2.355 275 D HA -0.295 4.344 4.640 -0.000 0.000 0.192 275 D C 2.274 178.552 176.300 -0.036 0.000 1.014 275 D CA 2.719 56.753 54.000 0.057 0.000 0.862 275 D CB -1.295 39.486 40.800 -0.033 0.000 0.986 275 D HN 0.429 nan 8.370 nan 0.000 0.456 276 S N -1.039 114.496 115.700 -0.276 0.000 2.547 276 S HA -0.061 4.409 4.470 -0.000 0.000 0.235 276 S C 1.849 176.326 174.600 -0.205 0.000 0.980 276 S CA 0.460 58.472 58.200 -0.314 0.000 0.941 276 S CB -1.070 61.875 63.200 -0.425 0.000 0.763 276 S HN 0.443 nan 8.310 nan 0.000 0.532 277 F N 2.133 121.870 119.950 -0.354 0.000 2.134 277 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 277 F C 1.902 177.574 175.800 -0.213 0.000 1.097 277 F CA 1.151 58.925 58.000 -0.376 0.000 1.264 277 F CB -0.455 38.155 39.000 -0.651 0.000 1.001 277 F HN 0.131 nan 8.300 nan 0.000 0.479 278 Y N 0.564 120.799 120.300 -0.107 0.000 2.242 278 Y HA -0.149 4.401 4.550 -0.000 0.000 0.291 278 Y C 2.634 178.615 175.900 0.136 0.000 1.137 278 Y CA 1.510 59.587 58.100 -0.038 0.000 1.181 278 Y CB -0.933 37.589 38.460 0.103 0.000 0.989 278 Y HN 0.210 nan 8.280 nan 0.000 0.527 279 E N -0.167 120.251 120.200 0.363 0.000 2.058 279 E HA -0.255 4.094 4.350 -0.000 0.000 0.194 279 E C 1.413 178.201 176.600 0.314 0.000 0.997 279 E CA 1.566 58.198 56.400 0.386 0.000 0.801 279 E CB -0.299 29.544 29.700 0.238 0.000 0.746 279 E HN 0.476 nan 8.360 nan 0.000 0.450 280 Y N 0.410 120.687 120.300 -0.038 0.000 2.583 280 Y HA 0.023 4.572 4.550 -0.000 0.000 0.293 280 Y C 1.906 177.735 175.900 -0.118 0.000 1.157 280 Y CA 0.284 58.342 58.100 -0.070 0.000 1.315 280 Y CB -0.085 38.357 38.460 -0.031 0.000 1.021 280 Y HN 0.118 nan 8.280 nan 0.000 0.536 281 L N -1.362 119.869 121.223 0.013 0.000 2.023 281 L HA -0.210 4.130 4.340 -0.000 0.000 0.205 281 L C 2.330 179.201 176.870 0.002 0.000 1.073 281 L CA 0.951 55.795 54.840 0.006 0.000 0.745 281 L CB -0.665 41.407 42.059 0.022 0.000 0.900 281 L HN 0.203 nan 8.230 nan 0.000 0.435 282 L N 0.087 121.222 121.223 -0.146 0.000 2.027 282 L HA -0.187 4.153 4.340 -0.000 0.000 0.206 282 L C 2.458 179.244 176.870 -0.140 0.000 1.074 282 L CA 1.822 56.446 54.840 -0.360 0.000 0.745 282 L CB -0.544 40.960 42.059 -0.925 0.000 0.898 282 L HN 0.065 nan 8.230 nan 0.000 0.433 283 K N -0.820 119.492 120.400 -0.146 0.000 2.211 283 K HA -0.199 4.121 4.320 -0.000 0.000 0.204 283 K C 2.096 178.538 176.600 -0.262 0.000 1.047 283 K CA 1.585 57.751 56.287 -0.201 0.000 0.935 283 K CB -0.147 32.199 32.500 -0.258 0.000 0.728 283 K HN 0.559 nan 8.250 nan 0.000 0.452 284 Q N -0.472 119.173 119.800 -0.257 0.000 2.079 284 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 284 Q C 1.893 177.800 176.000 -0.155 0.000 0.974 284 Q CA 1.462 57.077 55.803 -0.314 0.000 0.840 284 Q CB -0.154 28.239 28.738 -0.576 0.000 0.898 284 Q HN 0.418 nan 8.270 nan 0.000 0.430 285 Y N 1.058 121.291 120.300 -0.111 0.000 2.181 285 Y HA -0.217 4.333 4.550 -0.000 0.000 0.288 285 Y C 1.757 177.560 175.900 -0.161 0.000 1.146 285 Y CA 1.253 59.333 58.100 -0.034 0.000 1.164 285 Y CB -0.012 38.496 38.460 0.080 0.000 0.982 285 Y HN 0.013 nan 8.280 nan 0.000 0.515 286 L N -0.485 120.533 121.223 -0.343 0.000 2.141 286 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 286 L C 2.275 178.831 176.870 -0.523 0.000 1.094 286 L CA 0.895 55.459 54.840 -0.461 0.000 0.763 286 L CB -0.474 41.446 42.059 -0.231 0.000 0.908 286 L HN 0.358 nan 8.230 nan 0.000 0.437 287 L N -0.447 120.516 121.223 -0.434 0.000 2.102 287 L HA -0.077 4.263 4.340 -0.000 0.000 0.202 287 L C 2.368 178.955 176.870 -0.470 0.000 1.076 287 L CA 2.090 56.681 54.840 -0.414 0.000 0.761 287 L CB -0.264 41.611 42.059 -0.306 0.000 0.921 287 L HN 0.315 nan 8.230 nan 0.000 0.444 288 T N -5.668 108.660 114.554 -0.376 0.000 3.010 288 T HA 0.161 4.511 4.350 -0.000 0.000 0.257 288 T C 0.476 175.128 174.700 -0.079 0.000 1.020 288 T CA 0.511 62.523 62.100 -0.146 0.000 0.938 288 T CB -0.427 68.522 68.868 0.135 0.000 1.049 288 T HN 0.538 nan 8.240 nan 0.000 0.522 289 H N 0.726 119.709 119.070 -0.144 0.000 3.237 289 H HA -0.114 4.442 4.556 -0.000 0.000 0.231 289 H C -0.432 174.971 175.328 0.125 0.000 1.148 289 H CA 0.818 56.758 56.048 -0.180 0.000 1.155 289 H CB -2.298 27.393 29.762 -0.119 0.000 1.210 289 H HN 0.578 nan 8.280 nan 0.000 0.317 290 E N 1.395 121.778 120.200 0.306 0.000 2.159 290 E HA 0.046 4.396 4.350 -0.000 0.000 0.272 290 E C 1.356 178.212 176.600 0.427 0.000 1.138 290 E CA 0.492 57.114 56.400 0.370 0.000 0.915 290 E CB 0.697 30.680 29.700 0.472 0.000 1.028 290 E HN 0.521 nan 8.360 nan 0.000 0.423 291 T N 1.080 115.810 114.554 0.293 0.000 2.881 291 T HA -0.227 4.123 4.350 -0.000 0.000 0.270 291 T C 1.728 176.419 174.700 -0.014 0.000 1.068 291 T CA 0.556 62.743 62.100 0.145 0.000 1.131 291 T CB -0.033 68.870 68.868 0.057 0.000 0.871 291 T HN 0.341 nan 8.240 nan 0.000 0.479 292 L N 0.505 121.638 121.223 -0.150 0.000 2.043 292 L HA -0.061 4.279 4.340 -0.000 0.000 0.212 292 L C 2.238 178.845 176.870 -0.439 0.000 1.075 292 L CA 1.642 56.234 54.840 -0.413 0.000 0.752 292 L CB -1.003 40.608 42.059 -0.746 0.000 0.891 292 L HN 0.341 nan 8.230 nan 0.000 0.432 293 Y N -2.399 117.856 120.300 -0.074 0.000 2.352 293 Y HA -0.254 4.296 4.550 -0.000 0.000 0.292 293 Y C 2.374 178.261 175.900 -0.022 0.000 1.136 293 Y CA 1.777 59.836 58.100 -0.067 0.000 1.227 293 Y CB -0.651 37.782 38.460 -0.045 0.000 0.991 293 Y HN 0.315 nan 8.280 nan 0.000 0.545 294 Y N 1.144 121.411 120.300 -0.055 0.000 2.220 294 Y HA -0.210 4.339 4.550 -0.000 0.000 0.291 294 Y C 1.817 177.684 175.900 -0.054 0.000 1.129 294 Y CA 1.560 59.549 58.100 -0.184 0.000 1.161 294 Y CB -0.302 37.679 38.460 -0.799 0.000 0.997 294 Y HN 0.042 nan 8.280 nan 0.000 0.522 295 D N 0.406 120.791 120.400 -0.025 0.000 2.117 295 D HA -0.199 4.441 4.640 -0.000 0.000 0.197 295 D C 2.266 178.507 176.300 -0.097 0.000 0.987 295 D CA 1.711 55.674 54.000 -0.062 0.000 0.829 295 D CB -0.465 40.293 40.800 -0.070 0.000 0.961 295 D HN 0.407 nan 8.370 nan 0.000 0.460 296 L N -0.256 120.914 121.223 -0.089 0.000 2.046 296 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 296 L C 2.469 179.393 176.870 0.090 0.000 1.077 296 L CA 0.943 55.787 54.840 0.007 0.000 0.747 296 L CB -0.542 41.501 42.059 -0.027 0.000 0.896 296 L HN 0.073 nan 8.230 nan 0.000 0.432 297 Y N 1.366 121.604 120.300 -0.102 0.000 2.128 297 Y HA -0.329 4.221 4.550 -0.000 0.000 0.284 297 Y C 2.823 178.636 175.900 -0.145 0.000 1.154 297 Y CA 1.892 59.928 58.100 -0.106 0.000 1.149 297 Y CB -0.287 38.044 38.460 -0.214 0.000 0.976 297 Y HN -0.005 nan 8.280 nan 0.000 0.505 298 R N 1.246 121.494 120.500 -0.419 0.000 2.083 298 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 298 R C 2.037 178.199 176.300 -0.230 0.000 1.137 298 R CA 1.881 57.718 56.100 -0.437 0.000 0.951 298 R CB -0.457 29.648 30.300 -0.326 0.000 0.851 298 R HN 0.188 nan 8.270 nan 0.000 0.434 299 K N 0.036 120.383 120.400 -0.088 0.000 2.032 299 K HA -0.032 4.288 4.320 -0.000 0.000 0.209 299 K C 2.222 178.863 176.600 0.068 0.000 1.048 299 K CA 1.826 58.127 56.287 0.024 0.000 0.927 299 K CB -0.476 32.089 32.500 0.109 0.000 0.712 299 K HN 0.178 nan 8.250 nan 0.000 0.441 300 S N 0.861 116.633 115.700 0.120 0.000 2.383 300 S HA -0.057 4.413 4.470 -0.000 0.000 0.227 300 S C 1.936 176.583 174.600 0.079 0.000 1.026 300 S CA 0.992 59.341 58.200 0.248 0.000 0.981 300 S CB -0.054 63.468 63.200 0.536 0.000 0.818 300 S HN 0.192 nan 8.310 nan 0.000 0.472 301 M N 1.208 120.709 119.600 -0.165 0.000 2.175 301 M HA 0.011 4.491 4.480 -0.000 0.000 0.264 301 M C 1.898 178.092 176.300 -0.176 0.000 1.063 301 M CA 1.222 56.361 55.300 -0.268 0.000 1.119 301 M CB -1.266 31.012 32.600 -0.536 0.000 1.377 301 M HN 0.173 nan 8.290 nan 0.000 0.415 302 E N -0.101 120.024 120.200 -0.126 0.000 2.150 302 E HA -0.035 4.315 4.350 -0.000 0.000 0.193 302 E C 2.176 178.770 176.600 -0.010 0.000 0.985 302 E CA 1.306 57.660 56.400 -0.076 0.000 0.814 302 E CB -0.650 29.019 29.700 -0.052 0.000 0.752 302 E HN 0.568 nan 8.360 nan 0.000 0.466 303 G N 1.461 110.297 108.800 0.061 0.000 2.408 303 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 303 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 303 G C 1.518 176.523 174.900 0.174 0.000 1.150 303 G CA 0.821 46.031 45.100 0.183 0.000 0.776 303 G HN 0.162 nan 8.290 nan 0.000 0.542 304 M N 0.736 120.355 119.600 0.031 0.000 2.117 304 M HA 0.006 4.485 4.480 -0.000 0.000 0.262 304 M C 2.291 178.498 176.300 -0.154 0.000 1.065 304 M CA 1.569 56.794 55.300 -0.123 0.000 1.114 304 M CB -0.506 31.857 32.600 -0.395 0.000 1.361 304 M HN 0.154 nan 8.290 nan 0.000 0.408 305 K N -0.155 120.155 120.400 -0.149 0.000 2.148 305 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 305 K C 2.196 178.730 176.600 -0.112 0.000 1.050 305 K CA 0.958 57.159 56.287 -0.145 0.000 0.942 305 K CB -0.173 32.237 32.500 -0.150 0.000 0.724 305 K HN 0.205 nan 8.250 nan 0.000 0.446 306 K N 0.551 120.886 120.400 -0.108 0.000 2.116 306 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 306 K C 1.206 177.590 176.600 -0.360 0.000 1.052 306 K CA 1.605 57.751 56.287 -0.235 0.000 0.952 306 K CB 0.181 32.505 32.500 -0.294 0.000 0.729 306 K HN 0.296 nan 8.250 nan 0.000 0.446 307 H N -1.340 117.701 119.070 -0.049 0.000 2.855 307 H HA 0.246 4.802 4.556 -0.000 0.000 0.259 307 H C 1.305 176.605 175.328 -0.047 0.000 0.972 307 H CA 0.276 56.301 56.048 -0.039 0.000 1.213 307 H CB 0.655 30.404 29.762 -0.021 0.000 1.451 307 H HN -0.023 nan 8.280 nan 0.000 0.484 308 L N -0.312 120.923 121.223 0.020 0.000 2.749 308 L HA 0.222 4.562 4.340 -0.000 0.000 0.242 308 L C -0.242 176.546 176.870 -0.137 0.000 1.103 308 L CA -0.226 54.587 54.840 -0.045 0.000 0.906 308 L CB 0.571 42.576 42.059 -0.090 0.000 1.228 308 L HN 0.079 nan 8.230 nan 0.000 0.517 309 L N 1.435 122.561 121.223 -0.162 0.000 2.380 309 L HA 0.591 4.930 4.340 -0.000 0.000 0.273 309 L C 0.076 176.789 176.870 -0.262 0.000 1.138 309 L CA 0.262 54.988 54.840 -0.189 0.000 0.832 309 L CB 0.839 42.851 42.059 -0.079 0.000 1.124 309 L HN 0.104 nan 8.230 nan 0.000 0.454 310 A N 4.402 126.902 122.820 -0.534 0.000 2.581 310 A HA 0.743 5.063 4.320 -0.000 0.000 0.290 310 A C -1.504 175.499 177.584 -0.969 0.000 1.119 310 A CA -0.682 50.927 52.037 -0.713 0.000 0.670 310 A CB 1.210 19.765 19.000 -0.740 0.000 1.280 310 A HN 0.610 nan 8.150 nan 0.000 0.425 311 Q N 0.390 119.777 119.800 -0.688 0.000 2.375 311 Q HA 0.597 4.937 4.340 -0.000 0.000 0.271 311 Q C -0.205 175.768 176.000 -0.046 0.000 1.074 311 Q CA -0.684 54.804 55.803 -0.526 0.000 0.808 311 Q CB 2.249 30.545 28.738 -0.736 0.000 1.327 311 Q HN 0.962 nan 8.270 nan 0.000 0.441 312 S N 1.397 117.163 115.700 0.111 0.000 2.669 312 S HA 0.509 4.979 4.470 -0.000 0.000 0.270 312 S C -0.372 174.281 174.600 0.089 0.000 1.225 312 S CA -0.802 57.527 58.200 0.214 0.000 0.991 312 S CB 0.995 64.358 63.200 0.272 0.000 0.987 312 S HN 0.326 nan 8.310 nan 0.000 0.552 313 K N 1.341 121.807 120.400 0.110 0.000 2.207 313 K HA 0.451 4.771 4.320 -0.000 0.000 0.255 313 K C -2.259 174.368 176.600 0.044 0.000 0.941 313 K CA -2.361 53.960 56.287 0.057 0.000 0.825 313 K CB 1.668 34.205 32.500 0.062 0.000 1.119 313 K HN 0.449 nan 8.250 nan 0.000 0.430 314 P HA 0.133 nan 4.420 nan 0.000 0.275 314 P C 0.195 177.495 177.300 0.000 0.000 1.310 314 P CA 0.055 63.155 63.100 0.001 0.000 0.904 314 P CB 0.593 32.286 31.700 -0.011 0.000 1.381 315 S N -0.133 115.575 115.700 0.014 0.000 2.603 315 S HA 0.041 4.511 4.470 -0.000 0.000 0.220 315 S C 0.835 175.433 174.600 -0.002 0.000 0.967 315 S CA 0.306 58.518 58.200 0.020 0.000 0.920 315 S CB -0.709 62.519 63.200 0.047 0.000 0.773 315 S HN 0.098 nan 8.310 nan 0.000 0.529 316 S N 0.968 116.644 115.700 -0.040 0.000 3.682 316 S HA -0.137 4.333 4.470 -0.000 0.000 0.354 316 S C 0.024 174.503 174.600 -0.203 0.000 1.034 316 S CA 0.103 58.214 58.200 -0.149 0.000 1.084 316 S CB -1.859 61.246 63.200 -0.160 0.000 0.903 316 S HN 0.508 nan 8.310 nan 0.000 0.470 317 L N 0.626 121.803 121.223 -0.076 0.000 2.367 317 L HA 0.277 4.617 4.340 -0.000 0.000 0.275 317 L C 0.764 177.554 176.870 -0.134 0.000 1.129 317 L CA -0.230 54.596 54.840 -0.023 0.000 0.839 317 L CB 0.271 42.382 42.059 0.087 0.000 1.133 317 L HN 0.365 nan 8.230 nan 0.000 0.453 318 W N 4.178 125.414 121.300 -0.107 0.000 2.253 318 W HA 0.320 4.980 4.660 -0.000 0.000 0.322 318 W C -0.053 176.305 176.519 -0.267 0.000 1.342 318 W CA 0.168 57.385 57.345 -0.213 0.000 1.218 318 W CB 0.176 29.525 29.460 -0.184 0.000 1.205 318 W HN 0.337 nan 8.180 nan 0.000 0.551 319 Y N 0.620 120.793 120.300 -0.211 0.000 2.597 319 Y HA 0.716 5.265 4.550 -0.000 0.000 0.340 319 Y C -1.199 174.578 175.900 -0.205 0.000 1.097 319 Y CA -2.380 55.488 58.100 -0.387 0.000 1.037 319 Y CB 0.751 38.575 38.460 -1.060 0.000 1.305 319 Y HN 0.247 nan 8.280 nan 0.000 0.463 320 I N 3.141 123.720 120.570 0.015 0.000 2.321 320 I HA 0.596 4.766 4.170 -0.000 0.000 0.291 320 I C 0.634 176.851 176.117 0.166 0.000 0.998 320 I CA -0.509 60.748 61.300 -0.072 0.000 1.227 320 I CB 1.304 39.149 38.000 -0.257 0.000 1.368 320 I HN 0.971 nan 8.210 nan 0.000 0.466 321 G N 5.031 113.925 108.800 0.156 0.000 2.557 321 G HA2 0.542 4.502 3.960 -0.000 0.000 0.302 321 G HA3 0.542 4.502 3.960 -0.000 0.000 0.302 321 G C -0.700 174.297 174.900 0.161 0.000 1.311 321 G CA -0.428 44.826 45.100 0.257 0.000 1.030 321 G HN 0.602 nan 8.290 nan 0.000 0.509 322 E N -0.531 119.766 120.200 0.161 0.000 2.235 322 E HA 0.484 4.834 4.350 -0.000 0.000 0.265 322 E C -0.662 176.003 176.600 0.108 0.000 0.940 322 E CA -0.840 55.638 56.400 0.129 0.000 0.819 322 E CB 1.911 31.681 29.700 0.117 0.000 1.206 322 E HN 0.111 nan 8.360 nan 0.000 0.409 323 R N 2.041 122.594 120.500 0.088 0.000 2.407 323 R HA 0.161 4.501 4.340 -0.000 0.000 0.298 323 R C -0.067 176.269 176.300 0.060 0.000 1.166 323 R CA -0.126 56.017 56.100 0.073 0.000 1.006 323 R CB 0.732 31.066 30.300 0.058 0.000 1.145 323 R HN 0.682 nan 8.270 nan 0.000 0.538 324 E N 0.822 121.062 120.200 0.066 0.000 2.285 324 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 324 E C 0.043 176.680 176.600 0.061 0.000 0.997 324 E CA 0.734 57.171 56.400 0.062 0.000 0.845 324 E CB 0.519 30.260 29.700 0.068 0.000 0.782 324 E HN 0.258 nan 8.360 nan 0.000 0.491 325 Q N 0.413 120.251 119.800 0.064 0.000 2.773 325 Q HA 0.277 4.617 4.340 -0.000 0.000 0.373 325 Q C 0.085 176.126 176.000 0.069 0.000 0.940 325 Q CA -0.007 55.837 55.803 0.068 0.000 1.015 325 Q CB 1.111 29.891 28.738 0.070 0.000 1.349 325 Q HN 0.272 nan 8.270 nan 0.000 0.413 326 G N 0.299 109.134 108.800 0.057 0.000 2.855 326 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.352 326 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.352 326 G C 0.532 175.423 174.900 -0.015 0.000 1.415 326 G CA -0.383 44.736 45.100 0.031 0.000 0.871 326 G HN 0.427 nan 8.290 nan 0.000 0.543 327 L N -0.109 121.035 121.223 -0.132 0.000 2.291 327 L HA 0.019 4.359 4.340 -0.000 0.000 0.214 327 L C 2.291 179.081 176.870 -0.133 0.000 1.120 327 L CA 1.008 55.736 54.840 -0.186 0.000 0.799 327 L CB -0.329 41.486 42.059 -0.407 0.000 0.925 327 L HN 0.624 nan 8.230 nan 0.000 0.446 328 H N -0.258 118.830 119.070 0.030 0.000 2.551 328 H HA 0.154 4.710 4.556 -0.000 0.000 0.266 328 H C 1.252 176.605 175.328 0.042 0.000 0.977 328 H CA 0.463 56.535 56.048 0.039 0.000 1.163 328 H CB -0.017 29.757 29.762 0.020 0.000 1.381 328 H HN 0.243 nan 8.280 nan 0.000 0.581 329 G N 0.230 109.108 108.800 0.130 0.000 2.525 329 G HA2 0.224 4.184 3.960 -0.000 0.000 0.287 329 G HA3 0.224 4.184 3.960 -0.000 0.000 0.287 329 G C -0.011 174.942 174.900 0.088 0.000 1.350 329 G CA -0.577 44.584 45.100 0.100 0.000 1.039 329 G HN 0.202 nan 8.290 nan 0.000 0.513 330 Q N -1.382 118.465 119.800 0.078 0.000 2.368 330 Q HA 0.346 4.686 4.340 -0.000 0.000 0.237 330 Q C -0.672 175.378 176.000 0.083 0.000 0.987 330 Q CA -0.552 55.296 55.803 0.076 0.000 0.896 330 Q CB 1.605 30.384 28.738 0.069 0.000 1.241 330 Q HN 0.315 nan 8.270 nan 0.000 0.485 331 L N 0.799 122.075 121.223 0.088 0.000 2.276 331 L HA 0.283 4.623 4.340 -0.000 0.000 0.286 331 L C -0.534 176.414 176.870 0.131 0.000 1.061 331 L CA 0.343 55.246 54.840 0.105 0.000 0.807 331 L CB 1.592 43.709 42.059 0.097 0.000 1.177 331 L HN 0.496 nan 8.230 nan 0.000 0.429 332 S N 6.204 121.989 115.700 0.141 0.000 2.499 332 S HA 0.546 5.016 4.470 -0.000 0.000 0.279 332 S C -1.749 172.974 174.600 0.205 0.000 1.219 332 S CA -1.282 57.009 58.200 0.152 0.000 1.062 332 S CB 0.987 64.263 63.200 0.127 0.000 0.978 332 S HN 0.656 nan 8.310 nan 0.000 0.489 333 P HA 0.049 nan 4.420 nan 0.000 0.253 333 P C -0.037 177.333 177.300 0.116 0.000 1.260 333 P CA -0.024 63.187 63.100 0.185 0.000 0.800 333 P CB 0.077 31.860 31.700 0.139 0.000 1.162 334 K N 1.379 121.849 120.400 0.116 0.000 2.350 334 K HA 0.284 4.604 4.320 -0.000 0.000 0.279 334 K C -0.623 176.041 176.600 0.108 0.000 1.027 334 K CA -0.099 56.222 56.287 0.057 0.000 0.969 334 K CB 0.220 32.742 32.500 0.038 0.000 0.954 334 K HN 0.094 nan 8.250 nan 0.000 0.474 335 M N 4.326 123.969 119.600 0.072 0.000 2.224 335 M HA 0.188 4.668 4.480 -0.000 0.000 0.281 335 M C -1.355 174.986 176.300 0.067 0.000 1.025 335 M CA -0.671 54.713 55.300 0.140 0.000 0.954 335 M CB 1.467 34.261 32.600 0.323 0.000 1.639 335 M HN 0.475 nan 8.290 nan 0.000 0.461 336 D N 2.672 123.126 120.400 0.089 0.000 2.399 336 D HA 0.006 4.646 4.640 -0.000 0.000 0.241 336 D C 0.917 177.280 176.300 0.105 0.000 1.133 336 D CA 0.216 54.263 54.000 0.079 0.000 0.890 336 D CB 0.779 41.636 40.800 0.095 0.000 1.201 336 D HN 0.635 nan 8.370 nan 0.000 0.432 337 H N 2.130 121.206 119.070 0.010 0.000 2.456 337 H HA -0.068 4.487 4.556 -0.000 0.000 0.296 337 H C 1.830 177.225 175.328 0.112 0.000 1.079 337 H CA 0.904 56.975 56.048 0.039 0.000 1.322 337 H CB 0.192 29.956 29.762 0.004 0.000 1.388 337 H HN 0.353 nan 8.280 nan 0.000 0.538 338 L N 0.266 121.584 121.223 0.157 0.000 2.127 338 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 338 L C 2.728 179.735 176.870 0.229 0.000 1.089 338 L CA 0.770 55.699 54.840 0.148 0.000 0.757 338 L CB -0.262 41.862 42.059 0.108 0.000 0.899 338 L HN 0.122 nan 8.230 nan 0.000 0.434 339 V N -1.489 118.550 119.914 0.209 0.000 2.720 339 V HA -0.281 3.839 4.120 -0.000 0.000 0.256 339 V C 2.382 178.561 176.094 0.142 0.000 1.082 339 V CA 1.395 63.860 62.300 0.274 0.000 1.101 339 V CB -0.740 31.198 31.823 0.192 0.000 0.693 339 V HN 0.584 nan 8.190 nan 0.000 0.479 340 c N 0.997 119.608 118.600 0.018 0.000 2.413 340 c HA -0.152 4.418 4.570 -0.000 0.000 0.292 340 c C 2.535 176.608 174.090 -0.029 0.000 1.435 340 c CA 0.893 57.181 56.329 -0.069 0.000 1.791 340 c CB -1.952 40.418 42.510 -0.233 0.000 1.784 340 c HN 0.826 nan 8.230 nan 0.000 0.548 341 F N -0.717 119.204 119.950 -0.049 0.000 2.451 341 F HA -0.020 4.507 4.527 0.000 0.000 0.299 341 F C 2.013 177.787 175.800 -0.044 0.000 1.101 341 F CA 0.937 58.915 58.000 -0.038 0.000 1.436 341 F CB -0.755 38.247 39.000 0.004 0.000 1.074 341 F HN 0.009 nan 8.300 nan 0.000 0.553 342 M N 1.691 120.708 119.600 -0.972 0.000 2.267 342 M HA -0.054 4.426 4.480 -0.000 0.000 0.263 342 M C 2.393 178.415 176.300 -0.463 0.000 1.063 342 M CA 1.241 56.018 55.300 -0.871 0.000 1.090 342 M CB -2.012 30.243 32.600 -0.575 0.000 1.392 342 M HN 0.448 nan 8.290 nan 0.000 0.422 343 G N -0.111 108.495 108.800 -0.322 0.000 2.433 343 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 343 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 343 G C 1.558 176.290 174.900 -0.280 0.000 1.186 343 G CA 1.031 45.977 45.100 -0.255 0.000 0.779 343 G HN 0.539 nan 8.290 nan 0.000 0.543 344 G N 0.370 109.002 108.800 -0.280 0.000 2.422 344 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.218 344 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.218 344 G C 1.738 176.272 174.900 -0.610 0.000 1.140 344 G CA 0.902 45.738 45.100 -0.440 0.000 0.775 344 G HN 0.381 nan 8.290 nan 0.000 0.545 345 L N 0.312 121.277 121.223 -0.429 0.000 2.027 345 L HA 0.137 4.477 4.340 -0.000 0.000 0.206 345 L C 2.752 179.531 176.870 -0.152 0.000 1.074 345 L CA 1.327 55.999 54.840 -0.280 0.000 0.745 345 L CB -0.382 41.568 42.059 -0.182 0.000 0.898 345 L HN 0.179 nan 8.230 nan 0.000 0.433 346 L N -0.797 120.343 121.223 -0.139 0.000 2.046 346 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 346 L C 2.649 179.520 176.870 0.003 0.000 1.077 346 L CA 1.262 56.078 54.840 -0.039 0.000 0.747 346 L CB -0.869 41.104 42.059 -0.144 0.000 0.896 346 L HN 0.381 nan 8.230 nan 0.000 0.432 347 A N -0.869 121.913 122.820 -0.064 0.000 1.898 347 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 347 A C 2.499 180.197 177.584 0.191 0.000 1.181 347 A CA 2.015 54.117 52.037 0.108 0.000 0.620 347 A CB -0.596 18.388 19.000 -0.027 0.000 0.819 347 A HN 0.366 nan 8.150 nan 0.000 0.442 348 S N -0.393 115.304 115.700 -0.006 0.000 2.368 348 S HA -0.066 4.404 4.470 -0.000 0.000 0.225 348 S C 2.046 176.696 174.600 0.083 0.000 1.030 348 S CA 1.159 59.364 58.200 0.009 0.000 0.999 348 S CB -0.615 62.459 63.200 -0.212 0.000 0.844 348 S HN 0.766 nan 8.310 nan 0.000 0.459 349 G N 0.270 109.111 108.800 0.069 0.000 2.422 349 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.218 349 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.218 349 G C 1.536 176.615 174.900 0.299 0.000 1.140 349 G CA 1.084 46.278 45.100 0.157 0.000 0.775 349 G HN 0.537 nan 8.290 nan 0.000 0.545 350 S N 0.180 116.047 115.700 0.279 0.000 2.395 350 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 350 S C 2.544 177.425 174.600 0.469 0.000 1.027 350 S CA 2.075 60.445 58.200 0.284 0.000 0.965 350 S CB -0.333 62.964 63.200 0.163 0.000 0.812 350 S HN 0.544 nan 8.310 nan 0.000 0.482 351 T N -1.925 112.891 114.554 0.437 0.000 3.037 351 T HA 0.301 4.651 4.350 -0.000 0.000 0.252 351 T C 0.472 175.397 174.700 0.375 0.000 1.073 351 T CA 0.645 63.006 62.100 0.435 0.000 1.091 351 T CB -0.397 68.646 68.868 0.292 0.000 0.935 351 T HN 0.499 nan 8.240 nan 0.000 0.488 352 E N 0.497 120.828 120.200 0.218 0.000 2.791 352 E HA -0.239 4.111 4.350 -0.000 0.000 0.271 352 E C 0.995 177.643 176.600 0.080 0.000 1.044 352 E CA 0.367 56.797 56.400 0.049 0.000 0.814 352 E CB -1.771 27.788 29.700 -0.235 0.000 1.400 352 E HN 0.919 nan 8.360 nan 0.000 0.423 353 G N -0.672 108.220 108.800 0.154 0.000 2.234 353 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.235 353 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.235 353 G C 0.320 175.310 174.900 0.150 0.000 0.997 353 G CA 0.210 45.406 45.100 0.159 0.000 0.623 353 G HN 0.210 nan 8.290 nan 0.000 0.514 354 L N 2.410 123.726 121.223 0.156 0.000 2.417 354 L HA 0.482 4.822 4.340 -0.000 0.000 0.268 354 L C 1.572 178.503 176.870 0.101 0.000 1.158 354 L CA 0.044 54.961 54.840 0.128 0.000 0.819 354 L CB 1.121 43.266 42.059 0.143 0.000 1.112 354 L HN 0.481 nan 8.230 nan 0.000 0.458 355 S N 1.493 117.262 115.700 0.114 0.000 2.568 355 S HA 0.057 4.527 4.470 -0.000 0.000 0.282 355 S C 1.181 175.789 174.600 0.013 0.000 1.338 355 S CA -0.690 57.599 58.200 0.149 0.000 1.045 355 S CB 0.593 64.018 63.200 0.374 0.000 0.873 355 S HN 0.456 nan 8.310 nan 0.000 0.516 356 I N 0.163 120.628 120.570 -0.174 0.000 2.315 356 I HA -0.147 4.023 4.170 -0.000 0.000 0.251 356 I C 1.987 177.834 176.117 -0.450 0.000 1.125 356 I CA 1.506 62.483 61.300 -0.538 0.000 1.392 356 I CB -1.886 35.599 38.000 -0.859 0.000 1.065 356 I HN 0.784 nan 8.210 nan 0.000 0.424 357 H N 0.621 119.564 119.070 -0.211 0.000 2.357 357 H HA -0.187 4.369 4.556 -0.000 0.000 0.296 357 H C 2.247 177.453 175.328 -0.203 0.000 1.108 357 H CA 2.108 58.050 56.048 -0.175 0.000 1.273 357 H CB -0.311 29.399 29.762 -0.087 0.000 1.367 357 H HN 0.610 nan 8.280 nan 0.000 0.498 358 E N -0.120 120.056 120.200 -0.039 0.000 2.166 358 E HA 0.049 4.399 4.350 -0.000 0.000 0.192 358 E C 2.339 178.820 176.600 -0.198 0.000 0.967 358 E CA 0.516 56.862 56.400 -0.089 0.000 0.840 358 E CB 0.009 29.697 29.700 -0.020 0.000 0.795 358 E HN 0.419 nan 8.360 nan 0.000 0.470 359 A N 1.448 124.122 122.820 -0.243 0.000 1.902 359 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 359 A C 2.083 179.242 177.584 -0.708 0.000 1.181 359 A CA 1.356 53.196 52.037 -0.329 0.000 0.623 359 A CB -0.506 18.379 19.000 -0.192 0.000 0.818 359 A HN 0.164 nan 8.150 nan 0.000 0.443 360 R N -0.642 119.259 120.500 -0.999 0.000 2.249 360 R HA -0.093 4.247 4.340 -0.000 0.000 0.230 360 R C 1.556 177.492 176.300 -0.607 0.000 1.121 360 R CA 1.358 56.723 56.100 -1.225 0.000 0.997 360 R CB -0.203 29.562 30.300 -0.892 0.000 0.867 360 R HN 0.492 nan 8.270 nan 0.000 0.465 361 R N -0.020 120.226 120.500 -0.424 0.000 2.362 361 R HA 0.143 4.483 4.340 -0.000 0.000 0.227 361 R C -0.055 176.082 176.300 -0.271 0.000 0.905 361 R CA -0.154 55.782 56.100 -0.272 0.000 1.067 361 R CB 0.461 30.641 30.300 -0.200 0.000 1.078 361 R HN -0.071 nan 8.270 nan 0.000 0.516 362 R N 0.645 120.907 120.500 -0.397 0.000 2.486 362 R HA 0.210 4.550 4.340 -0.000 0.000 0.286 362 R C -1.851 174.177 176.300 -0.454 0.000 0.999 362 R CA -2.666 53.099 56.100 -0.558 0.000 0.993 362 R CB 0.298 29.881 30.300 -1.195 0.000 1.084 362 R HN -0.171 nan 8.270 nan 0.000 0.487 363 P HA -0.085 nan 4.420 nan 0.000 0.220 363 P C 0.803 178.077 177.300 -0.044 0.000 1.148 363 P CA 1.122 64.149 63.100 -0.122 0.000 0.803 363 P CB -0.021 31.657 31.700 -0.038 0.000 0.782 364 F N -3.212 116.768 119.950 0.049 0.000 2.780 364 F HA 0.220 4.747 4.527 -0.000 0.000 0.299 364 F C 0.775 176.639 175.800 0.107 0.000 1.146 364 F CA -0.859 57.159 58.000 0.030 0.000 1.428 364 F CB -1.289 37.688 39.000 -0.039 0.000 1.115 364 F HN -0.252 nan 8.300 nan 0.000 0.583 365 F N 2.448 122.333 119.950 -0.109 0.000 2.543 365 F HA 0.295 4.822 4.527 -0.000 0.000 0.375 365 F C 0.707 176.540 175.800 0.055 0.000 1.075 365 F CA -0.296 57.701 58.000 -0.006 0.000 1.225 365 F CB 0.544 39.429 39.000 -0.191 0.000 1.099 365 F HN 0.053 nan 8.300 nan 0.000 0.561 373 S N 0.873 116.477 115.700 -0.161 0.000 2.353 373 S HA -0.163 4.307 4.470 -0.000 0.000 0.222 373 S C 1.146 175.630 174.600 -0.194 0.000 1.035 373 S CA 2.250 60.350 58.200 -0.166 0.000 1.025 373 S CB -0.467 62.639 63.200 -0.158 0.000 0.902 373 S HN 0.407 nan 8.310 nan 0.000 0.440 374 D N 0.428 120.724 120.400 -0.174 0.000 2.123 374 D HA -0.108 4.532 4.640 -0.000 0.000 0.196 374 D C 1.526 177.765 176.300 -0.102 0.000 0.992 374 D CA 1.000 54.914 54.000 -0.143 0.000 0.833 374 D CB -0.535 40.225 40.800 -0.067 0.000 0.954 374 D HN 0.621 nan 8.370 nan 0.000 0.455 375 W N 1.721 122.869 121.300 -0.253 0.000 2.355 375 W HA -0.169 4.491 4.660 -0.000 0.000 0.309 375 W C 1.106 177.555 176.519 -0.116 0.000 1.206 375 W CA 1.140 58.402 57.345 -0.138 0.000 1.284 375 W CB -0.044 29.384 29.460 -0.054 0.000 1.145 375 W HN -0.081 nan 8.180 nan 0.000 0.502 376 D N 0.848 121.189 120.400 -0.099 0.000 2.144 376 D HA -0.185 4.455 4.640 -0.000 0.000 0.199 376 D C 2.039 178.105 176.300 -0.389 0.000 0.984 376 D CA 1.339 55.209 54.000 -0.216 0.000 0.834 376 D CB -0.684 40.033 40.800 -0.137 0.000 0.955 376 D HN 0.157 nan 8.370 nan 0.000 0.465 377 L N 0.644 121.612 121.223 -0.425 0.000 2.109 377 L HA 0.054 4.394 4.340 -0.000 0.000 0.207 377 L C 2.055 178.683 176.870 -0.402 0.000 1.086 377 L CA 1.305 55.831 54.840 -0.523 0.000 0.760 377 L CB -0.741 41.025 42.059 -0.489 0.000 0.910 377 L HN -0.045 nan 8.230 nan 0.000 0.437 378 A N -0.414 122.178 122.820 -0.381 0.000 1.908 378 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 378 A C 2.326 179.684 177.584 -0.376 0.000 1.181 378 A CA 2.011 53.822 52.037 -0.377 0.000 0.627 378 A CB -0.485 18.261 19.000 -0.422 0.000 0.818 378 A HN 0.496 nan 8.150 nan 0.000 0.445 379 K N -0.871 119.252 120.400 -0.461 0.000 2.057 379 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 379 K C 2.173 178.727 176.600 -0.077 0.000 1.050 379 K CA 1.027 57.148 56.287 -0.277 0.000 0.935 379 K CB -0.445 31.879 32.500 -0.293 0.000 0.715 379 K HN 0.468 nan 8.250 nan 0.000 0.439 380 G N 1.747 110.456 108.800 -0.151 0.000 2.433 380 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.216 380 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.216 380 G C 1.526 176.455 174.900 0.048 0.000 1.186 380 G CA 0.679 45.761 45.100 -0.030 0.000 0.779 380 G HN 0.130 nan 8.290 nan 0.000 0.543 381 I N 0.876 121.408 120.570 -0.062 0.000 2.315 381 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 381 I C 2.914 179.048 176.117 0.028 0.000 1.117 381 I CA 1.371 62.653 61.300 -0.031 0.000 1.404 381 I CB -0.422 37.499 38.000 -0.131 0.000 1.071 381 I HN 0.112 nan 8.210 nan 0.000 0.419 382 T N -0.337 114.234 114.554 0.029 0.000 2.821 382 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 382 T C 1.518 176.409 174.700 0.319 0.000 1.046 382 T CA 1.772 63.951 62.100 0.131 0.000 1.139 382 T CB -0.329 68.579 68.868 0.068 0.000 0.871 382 T HN 0.394 nan 8.240 nan 0.000 0.454 383 D N 0.727 121.336 120.400 0.350 0.000 2.097 383 D HA -0.099 4.541 4.640 -0.000 0.000 0.195 383 D C 2.168 178.589 176.300 0.201 0.000 0.989 383 D CA 1.346 55.564 54.000 0.363 0.000 0.827 383 D CB -0.232 40.794 40.800 0.376 0.000 0.966 383 D HN 0.216 nan 8.370 nan 0.000 0.456 384 T N -0.916 113.747 114.554 0.182 0.000 2.684 384 T HA -0.175 4.174 4.350 -0.000 0.000 0.267 384 T C 2.172 176.970 174.700 0.163 0.000 1.036 384 T CA 1.354 63.552 62.100 0.163 0.000 1.148 384 T CB -0.627 68.309 68.868 0.114 0.000 0.863 384 T HN 0.316 nan 8.240 nan 0.000 0.436 385 c N 0.545 119.239 118.600 0.158 0.000 2.440 385 c HA -0.017 4.553 4.570 -0.000 0.000 0.278 385 c C 2.407 176.639 174.090 0.236 0.000 1.295 385 c CA -0.032 56.401 56.329 0.173 0.000 1.738 385 c CB -1.324 41.261 42.510 0.126 0.000 1.987 385 c HN 0.667 nan 8.230 nan 0.000 0.492 386 Y N 1.930 122.240 120.300 0.015 0.000 2.181 386 Y HA -0.175 4.375 4.550 -0.000 0.000 0.288 386 Y C 2.468 178.328 175.900 -0.067 0.000 1.146 386 Y CA 1.627 59.636 58.100 -0.152 0.000 1.164 386 Y CB -0.674 37.387 38.460 -0.666 0.000 0.982 386 Y HN 0.274 nan 8.280 nan 0.000 0.515 387 Q N 0.005 119.661 119.800 -0.240 0.000 2.226 387 Q HA -0.168 4.171 4.340 -0.000 0.000 0.204 387 Q C 2.221 178.232 176.000 0.018 0.000 0.975 387 Q CA 1.649 57.333 55.803 -0.198 0.000 0.866 387 Q CB -0.400 28.360 28.738 0.037 0.000 0.915 387 Q HN 0.637 nan 8.270 nan 0.000 0.440 388 M N -1.122 118.479 119.600 0.002 0.000 2.460 388 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 388 M C 1.001 177.267 176.300 -0.057 0.000 1.071 388 M CA 1.157 56.342 55.300 -0.192 0.000 1.096 388 M CB -0.003 32.408 32.600 -0.315 0.000 1.408 388 M HN 0.129 nan 8.290 nan 0.000 0.463 389 Y N -0.857 119.364 120.300 -0.131 0.000 2.353 389 Y HA 0.022 4.572 4.550 -0.000 0.000 0.294 389 Y C 2.383 178.175 175.900 -0.180 0.000 1.135 389 Y CA 0.818 58.837 58.100 -0.135 0.000 1.176 389 Y CB -0.372 38.012 38.460 -0.126 0.000 1.124 389 Y HN -0.042 nan 8.280 nan 0.000 0.537 390 K N 0.864 121.123 120.400 -0.235 0.000 2.103 390 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 390 K C 1.479 178.025 176.600 -0.090 0.000 1.048 390 K CA 1.745 57.856 56.287 -0.294 0.000 0.930 390 K CB -0.197 31.898 32.500 -0.676 0.000 0.716 390 K HN 0.351 nan 8.250 nan 0.000 0.444 391 Q N -0.188 119.614 119.800 0.003 0.000 2.403 391 Q HA 0.090 4.429 4.340 -0.000 0.000 0.203 391 Q C -0.190 175.908 176.000 0.163 0.000 0.932 391 Q CA -0.130 55.701 55.803 0.047 0.000 0.945 391 Q CB 0.596 29.346 28.738 0.020 0.000 1.045 391 Q HN 0.130 nan 8.270 nan 0.000 0.511 392 S N -0.089 115.717 115.700 0.177 0.000 2.562 392 S HA 0.094 4.564 4.470 -0.000 0.000 0.275 392 S C 1.295 175.943 174.600 0.079 0.000 1.281 392 S CA -0.234 58.056 58.200 0.150 0.000 1.045 392 S CB 1.222 64.400 63.200 -0.036 0.000 0.962 392 S HN 0.368 nan 8.310 nan 0.000 0.503 393 S N 3.202 118.925 115.700 0.040 0.000 2.400 393 S HA -0.129 4.341 4.470 -0.000 0.000 0.232 393 S C 1.612 176.192 174.600 -0.033 0.000 1.025 393 S CA 1.385 59.607 58.200 0.037 0.000 0.993 393 S CB -0.701 62.493 63.200 -0.011 0.000 0.808 393 S HN 0.958 nan 8.310 nan 0.000 0.478 394 S N -0.293 115.348 115.700 -0.098 0.000 2.540 394 S HA 0.532 5.002 4.470 -0.000 0.000 0.218 394 S C 1.478 176.041 174.600 -0.062 0.000 0.977 394 S CA 0.320 58.469 58.200 -0.084 0.000 0.918 394 S CB -0.095 63.026 63.200 -0.131 0.000 0.806 394 S HN 1.410 nan 8.310 nan 0.000 0.496 395 G N 0.991 109.761 108.800 -0.049 0.000 2.162 395 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.260 395 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.260 395 G C -0.200 174.683 174.900 -0.027 0.000 0.976 395 G CA 0.433 45.530 45.100 -0.005 0.000 0.655 395 G HN 0.560 nan 8.290 nan 0.000 0.533 396 L N 0.269 121.372 121.223 -0.201 0.000 2.362 396 L HA 0.771 5.111 4.340 -0.000 0.000 0.275 396 L C 0.655 177.140 176.870 -0.641 0.000 0.998 396 L CA -0.754 53.818 54.840 -0.448 0.000 0.820 396 L CB 2.063 43.875 42.059 -0.412 0.000 1.270 396 L HN 0.258 nan 8.230 nan 0.000 0.415 397 A N 5.266 127.346 122.820 -1.233 0.000 2.401 397 A HA 0.622 4.942 4.320 -0.000 0.000 0.259 397 A C -2.240 175.016 177.584 -0.545 0.000 1.103 397 A CA -1.024 50.513 52.037 -0.834 0.000 0.789 397 A CB -0.206 18.242 19.000 -0.920 0.000 1.035 397 A HN 0.426 nan 8.150 nan 0.000 0.491 398 P HA 0.142 nan 4.420 nan 0.000 0.279 398 P C 0.428 177.538 177.300 -0.315 0.000 1.282 398 P CA -0.164 62.741 63.100 -0.325 0.000 0.788 398 P CB 0.773 32.320 31.700 -0.256 0.000 1.139 399 E N -0.282 119.685 120.200 -0.388 0.000 2.118 399 E HA -0.089 4.261 4.350 -0.000 0.000 0.195 399 E C 0.213 176.724 176.600 -0.149 0.000 0.992 399 E CA 1.481 57.684 56.400 -0.329 0.000 0.804 399 E CB -0.219 29.094 29.700 -0.645 0.000 0.741 399 E HN 0.396 nan 8.360 nan 0.000 0.458 400 I N -0.105 120.364 120.570 -0.168 0.000 2.722 400 I HA 0.297 4.467 4.170 -0.000 0.000 0.295 400 I C -1.053 174.957 176.117 -0.178 0.000 1.161 400 I CA -1.354 59.873 61.300 -0.122 0.000 1.032 400 I CB 2.387 40.335 38.000 -0.088 0.000 1.244 400 I HN -0.131 nan 8.210 nan 0.000 0.421 401 V N 2.571 122.347 119.914 -0.230 0.000 3.102 401 V HA 0.752 4.871 4.120 -0.000 0.000 0.312 401 V C -1.030 174.870 176.094 -0.323 0.000 1.135 401 V CA -0.730 61.382 62.300 -0.313 0.000 1.022 401 V CB 2.193 33.618 31.823 -0.663 0.000 1.056 401 V HN 0.403 nan 8.190 nan 0.000 0.436 402 V N 2.627 122.395 119.914 -0.244 0.000 2.380 402 V HA 0.480 4.600 4.120 -0.000 0.000 0.286 402 V C -0.479 175.591 176.094 -0.040 0.000 1.015 402 V CA -0.228 61.995 62.300 -0.130 0.000 0.834 402 V CB 0.911 32.681 31.823 -0.089 0.000 1.009 402 V HN 0.756 nan 8.190 nan 0.000 0.428 403 F N 2.745 122.654 119.950 -0.068 0.000 2.506 403 F HA 0.208 4.735 4.527 -0.000 0.000 0.351 403 F C 1.201 177.050 175.800 0.080 0.000 1.136 403 F CA 0.082 58.007 58.000 -0.126 0.000 1.298 403 F CB 0.426 38.935 39.000 -0.819 0.000 1.145 403 F HN 0.435 nan 8.300 nan 0.000 0.593 404 N N 2.870 121.797 118.700 0.379 0.000 2.399 404 N HA -0.015 4.725 4.740 -0.000 0.000 0.259 404 N C -0.044 175.629 175.510 0.272 0.000 1.160 404 N CA -0.136 53.158 53.050 0.406 0.000 0.946 404 N CB 0.284 38.972 38.487 0.336 0.000 1.156 404 N HN 0.538 nan 8.380 nan 0.000 0.489 405 D N 2.169 122.710 120.400 0.234 0.000 2.368 405 D HA 0.168 4.808 4.640 -0.000 0.000 0.218 405 D C 1.128 177.506 176.300 0.130 0.000 1.112 405 D CA 0.134 54.253 54.000 0.199 0.000 0.834 405 D CB -0.229 40.701 40.800 0.217 0.000 0.953 405 D HN 0.613 nan 8.370 nan 0.000 0.505 406 G N 0.760 109.634 108.800 0.124 0.000 2.176 406 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.253 406 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.253 406 G C 0.421 175.348 174.900 0.046 0.000 0.979 406 G CA 0.080 45.227 45.100 0.078 0.000 0.641 406 G HN 0.490 nan 8.290 nan 0.000 0.530 407 N N 0.006 118.733 118.700 0.045 0.000 2.401 407 N HA 0.426 5.166 4.740 -0.000 0.000 0.264 407 N C 0.818 176.295 175.510 -0.054 0.000 1.238 407 N CA 0.376 53.427 53.050 0.002 0.000 0.889 407 N CB 0.618 39.117 38.487 0.020 0.000 1.196 407 N HN 0.613 nan 8.380 nan 0.000 0.511 408 I N 0.369 120.885 120.570 -0.090 0.000 2.571 408 I HA 0.530 4.700 4.170 -0.000 0.000 0.282 408 I C 0.730 176.640 176.117 -0.345 0.000 1.085 408 I CA -0.103 61.023 61.300 -0.291 0.000 1.677 408 I CB -1.370 36.327 38.000 -0.504 0.000 1.460 408 I HN 0.223 nan 8.210 nan 0.000 0.693 412 G N 0.167 108.936 108.800 -0.051 0.000 3.332 412 G HA2 0.248 4.208 3.960 -0.000 0.000 0.242 412 G HA3 0.248 4.208 3.960 -0.000 0.000 0.242 412 G C -0.343 174.790 174.900 0.388 0.000 1.276 412 G CA -0.144 45.044 45.100 0.147 0.000 0.988 412 G HN 0.032 nan 8.290 nan 0.000 0.517 413 W N -0.789 120.555 121.300 0.073 0.000 2.375 413 W HA 0.557 5.217 4.660 -0.000 0.000 0.336 413 W C -0.217 176.450 176.519 0.246 0.000 1.160 413 W CA -2.547 54.890 57.345 0.152 0.000 1.266 413 W CB 0.548 30.070 29.460 0.103 0.000 1.195 413 W HN 0.115 nan 8.180 nan 0.000 0.599 414 W N 4.100 125.580 121.300 0.301 0.000 2.351 414 W HA 0.458 5.118 4.660 -0.000 0.000 0.311 414 W C 0.040 176.627 176.519 0.114 0.000 1.168 414 W CA -0.966 56.469 57.345 0.150 0.000 1.200 414 W CB 0.615 30.102 29.460 0.046 0.000 1.221 414 W HN 0.219 nan 8.180 nan 0.000 0.519 415 R N 4.810 124.851 120.500 -0.764 0.000 2.346 415 R HA 0.384 4.724 4.340 -0.000 0.000 0.311 415 R C 0.322 175.570 176.300 -1.752 0.000 0.983 415 R CA -0.404 55.080 56.100 -1.027 0.000 0.880 415 R CB 0.990 30.887 30.300 -0.671 0.000 1.100 415 R HN 0.662 nan 8.270 nan 0.000 0.453 416 S N 2.310 117.089 115.700 -1.536 0.000 2.587 416 S HA -0.061 4.409 4.470 -0.000 0.000 0.260 416 S C 1.439 175.510 174.600 -0.881 0.000 1.353 416 S CA -0.032 57.347 58.200 -1.369 0.000 0.995 416 S CB 1.284 63.482 63.200 -1.670 0.000 0.912 416 S HN 0.812 nan 8.310 nan 0.000 0.568 417 S N 0.983 116.372 115.700 -0.518 0.000 2.368 417 S HA -0.162 4.308 4.470 -0.000 0.000 0.226 417 S C 1.593 176.020 174.600 -0.289 0.000 1.044 417 S CA 1.520 59.534 58.200 -0.309 0.000 1.062 417 S CB -1.256 61.857 63.200 -0.146 0.000 0.931 417 S HN 0.709 nan 8.310 nan 0.000 0.440 418 V N 1.159 120.908 119.914 -0.276 0.000 3.235 418 V HA 0.378 4.498 4.120 -0.000 0.000 0.259 418 V C 1.994 177.930 176.094 -0.263 0.000 1.133 418 V CA 0.633 62.810 62.300 -0.206 0.000 1.128 418 V CB -0.929 30.822 31.823 -0.120 0.000 0.757 418 V HN 0.888 nan 8.190 nan 0.000 0.469 419 G N 0.193 108.733 108.800 -0.434 0.000 2.141 419 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.231 419 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.231 419 G C 0.438 175.078 174.900 -0.434 0.000 0.984 419 G CA 0.347 45.138 45.100 -0.515 0.000 0.660 419 G HN 0.434 nan 8.290 nan 0.000 0.525 420 D N -0.628 119.600 120.400 -0.287 0.000 2.269 420 D HA 0.152 4.792 4.640 -0.000 0.000 0.208 420 D C 1.021 177.382 176.300 0.101 0.000 0.963 420 D CA 1.645 55.648 54.000 0.006 0.000 0.864 420 D CB 0.032 40.955 40.800 0.206 0.000 0.936 420 D HN 0.706 nan 8.370 nan 0.000 0.505 421 F N -1.755 117.997 119.950 -0.331 0.000 2.686 421 F HA 0.592 5.119 4.527 -0.000 0.000 0.311 421 F C -1.414 174.054 175.800 -0.554 0.000 1.128 421 F CA -1.544 56.220 58.000 -0.392 0.000 0.946 421 F CB 0.691 39.333 39.000 -0.596 0.000 1.336 421 F HN -0.404 nan 8.300 nan 0.000 0.457 422 F N 0.386 120.381 119.950 0.075 0.000 2.598 422 F HA 0.812 5.339 4.527 -0.000 0.000 0.327 422 F C -0.637 175.236 175.800 0.121 0.000 1.057 422 F CA -1.454 56.597 58.000 0.085 0.000 0.957 422 F CB 2.204 41.342 39.000 0.230 0.000 1.278 422 F HN 0.382 nan 8.300 nan 0.000 0.484 423 V N 1.569 121.693 119.914 0.349 0.000 2.525 423 V HA 0.325 4.445 4.120 -0.000 0.000 0.299 423 V C -0.441 175.611 176.094 -0.070 0.000 1.034 423 V CA -1.413 60.959 62.300 0.119 0.000 0.863 423 V CB 1.588 33.530 31.823 0.198 0.000 0.999 423 V HN 0.603 nan 8.190 nan 0.000 0.423 424 K N 4.948 125.115 120.400 -0.389 0.000 2.295 424 K HA 0.218 4.538 4.320 -0.000 0.000 0.270 424 K C -1.694 174.834 176.600 -0.121 0.000 1.011 424 K CA -1.296 54.703 56.287 -0.479 0.000 0.953 424 K CB 0.846 33.012 32.500 -0.557 0.000 0.956 424 K HN 0.304 nan 8.250 nan 0.000 0.477 425 P HA -0.167 nan 4.420 nan 0.000 0.217 425 P C 0.683 177.992 177.300 0.014 0.000 1.148 425 P CA 1.292 64.415 63.100 0.038 0.000 0.828 425 P CB 0.179 31.931 31.700 0.087 0.000 0.783 426 L N -1.295 119.933 121.223 0.008 0.000 2.554 426 L HA 0.011 4.351 4.340 -0.000 0.000 0.226 426 L C 0.746 177.664 176.870 0.080 0.000 1.137 426 L CA 0.859 55.711 54.840 0.019 0.000 0.863 426 L CB -0.403 41.665 42.059 0.014 0.000 0.985 426 L HN -0.061 nan 8.230 nan 0.000 0.451 427 D N -0.434 120.000 120.400 0.057 0.000 2.402 427 D HA 0.080 4.720 4.640 -0.000 0.000 0.216 427 D C 1.577 177.883 176.300 0.011 0.000 1.128 427 D CA 0.045 54.095 54.000 0.084 0.000 0.833 427 D CB 0.334 41.097 40.800 -0.063 0.000 0.971 427 D HN 0.171 nan 8.370 nan 0.000 0.503 428 R N 0.845 121.381 120.500 0.059 0.000 2.316 428 R HA -0.021 4.319 4.340 -0.000 0.000 0.202 428 R C 0.998 177.279 176.300 -0.031 0.000 1.029 428 R CA 0.282 56.352 56.100 -0.050 0.000 1.018 428 R CB -0.174 30.078 30.300 -0.081 0.000 0.888 428 R HN 0.378 nan 8.270 nan 0.000 0.471 429 H N 0.113 119.126 119.070 -0.097 0.000 2.679 429 H HA 0.170 4.726 4.556 -0.000 0.000 0.369 429 H C -0.505 174.774 175.328 -0.082 0.000 1.178 429 H CA -0.352 55.648 56.048 -0.080 0.000 1.419 429 H CB 0.528 30.263 29.762 -0.045 0.000 1.458 429 H HN -0.099 nan 8.280 nan 0.000 0.605 430 N N 2.023 120.698 118.700 -0.042 0.000 2.461 430 N HA 0.127 4.867 4.740 -0.000 0.000 0.284 430 N C -0.582 174.953 175.510 0.042 0.000 1.049 430 N CA -0.512 52.488 53.050 -0.082 0.000 0.889 430 N CB 1.211 39.645 38.487 -0.088 0.000 1.365 430 N HN 0.625 nan 8.380 nan 0.000 0.499 431 L N 3.233 124.511 121.223 0.091 0.000 2.912 431 L HA 0.235 4.575 4.340 -0.000 0.000 0.240 431 L C 0.476 177.521 176.870 0.292 0.000 1.262 431 L CA -0.005 54.954 54.840 0.199 0.000 1.058 431 L CB -0.473 41.769 42.059 0.304 0.000 1.383 431 L HN 0.620 nan 8.230 nan 0.000 0.512 432 Q N -0.338 119.620 119.800 0.264 0.000 2.481 432 Q HA -0.189 4.151 4.340 -0.000 0.000 0.272 432 Q C 0.027 176.348 176.000 0.534 0.000 1.157 432 Q CA 0.629 56.623 55.803 0.319 0.000 0.935 432 Q CB -1.151 27.622 28.738 0.057 0.000 1.338 432 Q HN 0.565 nan 8.270 nan 0.000 0.494 433 R N 1.154 121.939 120.500 0.475 0.000 2.643 433 R HA 0.052 4.391 4.340 -0.000 0.000 0.270 433 R C -1.296 175.276 176.300 0.452 0.000 1.061 433 R CA -0.743 55.591 56.100 0.390 0.000 1.107 433 R CB 0.302 30.701 30.300 0.164 0.000 0.999 433 R HN 0.093 nan 8.270 nan 0.000 0.460 434 P HA 0.072 nan 4.420 nan 0.000 0.259 434 P C -0.041 177.483 177.300 0.374 0.000 1.233 434 P CA 0.432 63.770 63.100 0.396 0.000 0.827 434 P CB 0.523 32.430 31.700 0.345 0.000 1.154 435 E N 0.136 120.567 120.200 0.385 0.000 2.187 435 E HA -0.133 4.217 4.350 -0.000 0.000 0.199 435 E C 1.846 178.515 176.600 0.114 0.000 1.004 435 E CA 1.948 58.471 56.400 0.206 0.000 0.813 435 E CB -1.209 28.557 29.700 0.110 0.000 0.736 435 E HN 0.254 nan 8.360 nan 0.000 0.468 436 T N -0.348 114.340 114.554 0.223 0.000 2.894 436 T HA -0.069 4.281 4.350 -0.000 0.000 0.258 436 T C 2.019 176.760 174.700 0.069 0.000 1.043 436 T CA 1.135 63.317 62.100 0.138 0.000 1.141 436 T CB -0.133 68.884 68.868 0.247 0.000 0.873 436 T HN 0.231 nan 8.240 nan 0.000 0.449 437 V N 0.694 120.676 119.914 0.113 0.000 2.759 437 V HA -0.033 4.087 4.120 -0.000 0.000 0.256 437 V C 2.183 178.222 176.094 -0.091 0.000 1.080 437 V CA 1.723 64.056 62.300 0.056 0.000 1.101 437 V CB -0.746 31.172 31.823 0.158 0.000 0.698 437 V HN 0.470 nan 8.190 nan 0.000 0.477 438 E N 1.325 121.417 120.200 -0.180 0.000 2.031 438 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 438 E C 2.285 178.686 176.600 -0.331 0.000 0.994 438 E CA 1.805 57.784 56.400 -0.701 0.000 0.800 438 E CB -0.203 29.195 29.700 -0.504 0.000 0.752 438 E HN 0.654 nan 8.360 nan 0.000 0.447 439 S N 0.464 116.103 115.700 -0.102 0.000 2.383 439 S HA -0.087 4.383 4.470 -0.000 0.000 0.227 439 S C 1.958 176.499 174.600 -0.098 0.000 1.026 439 S CA 0.885 59.066 58.200 -0.032 0.000 0.981 439 S CB -0.191 62.969 63.200 -0.067 0.000 0.818 439 S HN 0.297 nan 8.310 nan 0.000 0.472 440 I N 1.434 121.941 120.570 -0.105 0.000 2.286 440 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 440 I C 2.627 178.605 176.117 -0.231 0.000 1.115 440 I CA 1.020 62.237 61.300 -0.138 0.000 1.392 440 I CB -0.300 37.705 38.000 0.008 0.000 1.065 440 I HN 0.347 nan 8.210 nan 0.000 0.418 441 M N 0.786 120.236 119.600 -0.251 0.000 2.086 441 M HA -0.241 4.238 4.480 -0.000 0.000 0.261 441 M C 2.306 178.459 176.300 -0.245 0.000 1.067 441 M CA 2.192 57.307 55.300 -0.308 0.000 1.116 441 M CB -0.666 31.682 32.600 -0.421 0.000 1.348 441 M HN 0.082 nan 8.290 nan 0.000 0.407 442 F N 0.549 120.382 119.950 -0.196 0.000 2.102 442 F HA -0.261 4.266 4.527 -0.000 0.000 0.298 442 F C 2.465 178.157 175.800 -0.180 0.000 1.105 442 F CA 1.490 59.423 58.000 -0.112 0.000 1.239 442 F CB -0.791 38.131 39.000 -0.131 0.000 0.991 442 F HN 0.134 nan 8.300 nan 0.000 0.474 443 M N -1.152 118.321 119.600 -0.212 0.000 2.108 443 M HA -0.263 4.217 4.480 -0.000 0.000 0.261 443 M C 2.184 178.190 176.300 -0.491 0.000 1.066 443 M CA 1.611 56.559 55.300 -0.586 0.000 1.107 443 M CB -1.594 30.175 32.600 -1.385 0.000 1.356 443 M HN 0.306 nan 8.290 nan 0.000 0.406 444 Y N 0.516 120.531 120.300 -0.477 0.000 2.133 444 Y HA -0.237 4.313 4.550 -0.000 0.000 0.287 444 Y C 2.595 178.311 175.900 -0.307 0.000 1.134 444 Y CA 1.873 59.799 58.100 -0.290 0.000 1.133 444 Y CB -0.432 37.770 38.460 -0.431 0.000 0.987 444 Y HN 0.283 nan 8.280 nan 0.000 0.502 445 H N 0.022 118.944 119.070 -0.247 0.000 2.457 445 H HA -0.066 4.490 4.556 -0.000 0.000 0.294 445 H C 2.150 177.211 175.328 -0.446 0.000 1.064 445 H CA 1.743 57.613 56.048 -0.297 0.000 1.330 445 H CB -0.053 29.721 29.762 0.019 0.000 1.395 445 H HN 0.424 nan 8.280 nan 0.000 0.541 446 L N -0.117 121.022 121.223 -0.141 0.000 2.202 446 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 446 L C 2.447 179.256 176.870 -0.102 0.000 1.083 446 L CA 1.074 55.898 54.840 -0.026 0.000 0.790 446 L CB -0.060 42.166 42.059 0.278 0.000 0.942 446 L HN 0.211 nan 8.230 nan 0.000 0.452 447 S N -2.869 112.784 115.700 -0.077 0.000 2.475 447 S HA -0.053 4.417 4.470 -0.000 0.000 0.224 447 S C 0.946 175.536 174.600 -0.016 0.000 1.042 447 S CA 0.019 58.268 58.200 0.081 0.000 0.935 447 S CB -0.005 63.393 63.200 0.330 0.000 0.801 447 S HN 0.446 nan 8.310 nan 0.000 0.509 448 H N 0.789 119.748 119.070 -0.186 0.000 3.109 448 H HA -0.114 4.442 4.556 -0.000 0.000 0.245 448 H C -0.625 174.619 175.328 -0.141 0.000 1.187 448 H CA 1.041 56.866 56.048 -0.371 0.000 1.136 448 H CB -2.172 27.535 29.762 -0.091 0.000 1.243 448 H HN 0.544 nan 8.280 nan 0.000 0.328 449 D N 0.694 121.118 120.400 0.040 0.000 2.338 449 D HA -0.009 4.630 4.640 -0.000 0.000 0.255 449 D C 1.459 177.791 176.300 0.054 0.000 1.237 449 D CA 0.024 54.039 54.000 0.026 0.000 0.883 449 D CB 0.181 40.915 40.800 -0.109 0.000 1.087 449 D HN 0.388 nan 8.370 nan 0.000 0.485 450 H N 4.482 123.576 119.070 0.040 0.000 2.518 450 H HA -0.138 4.418 4.556 -0.000 0.000 0.292 450 H C 1.659 176.894 175.328 -0.154 0.000 1.068 450 H CA 1.269 57.359 56.048 0.069 0.000 1.275 450 H CB 0.488 30.282 29.762 0.052 0.000 1.375 450 H HN 0.501 nan 8.280 nan 0.000 0.563 451 K N 0.229 120.429 120.400 -0.333 0.000 2.152 451 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 451 K C 1.606 177.556 176.600 -1.084 0.000 1.048 451 K CA 1.539 57.412 56.287 -0.691 0.000 0.933 451 K CB -0.251 31.684 32.500 -0.941 0.000 0.721 451 K HN 0.367 nan 8.250 nan 0.000 0.447 452 Y N 0.143 120.023 120.300 -0.700 0.000 2.293 452 Y HA -0.080 4.470 4.550 -0.000 0.000 0.291 452 Y C 2.460 178.082 175.900 -0.464 0.000 1.137 452 Y CA 0.861 58.586 58.100 -0.625 0.000 1.202 452 Y CB 0.053 38.300 38.460 -0.355 0.000 0.990 452 Y HN 0.017 nan 8.280 nan 0.000 0.537 453 R N 0.259 120.484 120.500 -0.459 0.000 2.115 453 R HA -0.125 4.215 4.340 -0.000 0.000 0.226 453 R C 1.876 178.061 176.300 -0.192 0.000 1.100 453 R CA 1.271 57.005 56.100 -0.611 0.000 0.980 453 R CB -0.115 29.609 30.300 -0.960 0.000 0.875 453 R HN 0.490 nan 8.270 nan 0.000 0.445 454 E N -0.552 119.535 120.200 -0.189 0.000 2.072 454 E HA -0.193 4.156 4.350 -0.000 0.000 0.191 454 E C 1.619 178.355 176.600 0.227 0.000 0.985 454 E CA 0.994 57.439 56.400 0.075 0.000 0.801 454 E CB -0.038 29.724 29.700 0.104 0.000 0.750 454 E HN 0.335 nan 8.360 nan 0.000 0.452 455 W N 0.579 121.795 121.300 -0.140 0.000 2.355 455 W HA -0.020 4.640 4.660 -0.000 0.000 0.309 455 W C 2.476 179.009 176.519 0.024 0.000 1.206 455 W CA 1.186 58.427 57.345 -0.174 0.000 1.284 455 W CB -1.328 27.829 29.460 -0.505 0.000 1.145 455 W HN 0.146 nan 8.180 nan 0.000 0.502 456 G N -0.003 108.935 108.800 0.230 0.000 2.422 456 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.218 456 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.218 456 G C 1.764 176.856 174.900 0.319 0.000 1.146 456 G CA 1.681 46.898 45.100 0.194 0.000 0.769 456 G HN 0.283 nan 8.290 nan 0.000 0.547 457 A N 0.876 123.917 122.820 0.368 0.000 1.898 457 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 457 A C 2.151 179.867 177.584 0.221 0.000 1.181 457 A CA 1.828 54.036 52.037 0.284 0.000 0.620 457 A CB -0.352 18.777 19.000 0.214 0.000 0.819 457 A HN 0.446 nan 8.150 nan 0.000 0.442 458 E N -0.249 120.096 120.200 0.242 0.000 2.051 458 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 458 E C 1.891 178.623 176.600 0.221 0.000 0.991 458 E CA 1.326 57.864 56.400 0.229 0.000 0.799 458 E CB -0.308 29.558 29.700 0.278 0.000 0.748 458 E HN 0.693 nan 8.360 nan 0.000 0.449 459 I N 1.089 121.797 120.570 0.230 0.000 2.226 459 I HA -0.251 3.918 4.170 -0.000 0.000 0.245 459 I C 2.563 178.875 176.117 0.326 0.000 1.100 459 I CA 0.840 62.258 61.300 0.196 0.000 1.374 459 I CB -0.312 37.736 38.000 0.080 0.000 1.057 459 I HN 0.082 nan 8.210 nan 0.000 0.413 460 A N 0.366 123.399 122.820 0.355 0.000 1.902 460 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 460 A C 2.377 180.180 177.584 0.365 0.000 1.181 460 A CA 2.453 54.727 52.037 0.394 0.000 0.623 460 A CB -1.054 18.103 19.000 0.261 0.000 0.818 460 A HN 0.376 nan 8.150 nan 0.000 0.443 461 T N -0.107 114.607 114.554 0.267 0.000 2.777 461 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 461 T C 2.249 177.136 174.700 0.311 0.000 1.040 461 T CA 1.649 63.907 62.100 0.263 0.000 1.141 461 T CB -0.275 68.702 68.868 0.181 0.000 0.868 461 T HN 0.482 nan 8.240 nan 0.000 0.444 462 S N 0.723 116.560 115.700 0.227 0.000 2.382 462 S HA 0.014 4.484 4.470 -0.000 0.000 0.228 462 S C 1.671 176.361 174.600 0.150 0.000 1.027 462 S CA 0.935 59.217 58.200 0.136 0.000 0.991 462 S CB -0.467 62.755 63.200 0.037 0.000 0.823 462 S HN 0.460 nan 8.310 nan 0.000 0.469 463 F N 0.356 120.466 119.950 0.266 0.000 2.146 463 F HA -0.061 4.466 4.527 -0.000 0.000 0.298 463 F C 2.036 177.998 175.800 0.270 0.000 1.096 463 F CA 1.036 59.184 58.000 0.246 0.000 1.275 463 F CB -0.318 38.889 39.000 0.344 0.000 1.008 463 F HN 0.175 nan 8.300 nan 0.000 0.480 464 F N 1.404 121.580 119.950 0.378 0.000 2.069 464 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 464 F C 2.252 178.288 175.800 0.394 0.000 1.113 464 F CA 1.995 60.229 58.000 0.390 0.000 1.214 464 F CB -0.486 38.680 39.000 0.278 0.000 0.978 464 F HN -0.048 nan 8.300 nan 0.000 0.474 465 E N -0.703 119.688 120.200 0.318 0.000 2.158 465 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 465 E C 1.259 177.897 176.600 0.062 0.000 0.982 465 E CA 0.855 57.340 56.400 0.142 0.000 0.823 465 E CB -0.117 29.710 29.700 0.211 0.000 0.766 465 E HN 0.417 nan 8.360 nan 0.000 0.468 466 N N 0.026 118.781 118.700 0.091 0.000 2.205 466 N HA -0.007 4.733 4.740 -0.000 0.000 0.201 466 N C 0.916 176.443 175.510 0.028 0.000 1.128 466 N CA 0.743 53.811 53.050 0.031 0.000 0.867 466 N CB 1.143 39.628 38.487 -0.003 0.000 0.996 466 N HN 0.164 nan 8.380 nan 0.000 0.503 467 T N -2.788 111.823 114.554 0.094 0.000 3.043 467 T HA 0.132 4.482 4.350 -0.000 0.000 0.272 467 T C 1.020 175.726 174.700 0.010 0.000 0.990 467 T CA -0.504 61.632 62.100 0.060 0.000 0.897 467 T CB -1.015 67.910 68.868 0.094 0.000 1.111 467 T HN 0.166 nan 8.240 nan 0.000 0.529 468 C N 1.521 120.799 119.300 -0.036 0.000 2.604 468 C HA 0.843 5.303 4.460 -0.000 0.000 0.396 468 C C 0.225 175.032 174.990 -0.304 0.000 1.282 468 C CA -1.020 57.789 59.018 -0.350 0.000 2.292 468 C CB 0.046 27.498 27.740 -0.480 0.000 2.633 468 C HN 0.299 nan 8.230 nan 0.000 0.620 469 V N 2.981 122.671 119.914 -0.373 0.000 2.604 469 V HA 0.452 4.572 4.120 -0.000 0.000 0.305 469 V C -0.209 175.745 176.094 -0.232 0.000 1.043 469 V CA -0.092 62.058 62.300 -0.250 0.000 0.888 469 V CB 1.530 33.212 31.823 -0.234 0.000 0.995 469 V HN 1.054 nan 8.190 nan 0.000 0.429 470 D N 1.860 122.168 120.400 -0.154 0.000 2.699 470 D HA -0.187 4.453 4.640 -0.000 0.000 0.239 470 D C 1.303 177.524 176.300 -0.132 0.000 1.136 470 D CA 0.879 54.813 54.000 -0.109 0.000 0.668 470 D CB -0.660 40.094 40.800 -0.077 0.000 1.060 470 D HN 0.816 nan 8.370 nan 0.000 0.429 471 C N 0.063 119.271 119.300 -0.154 0.000 2.410 471 C HA -0.143 4.317 4.460 -0.000 0.000 0.281 471 C C 1.955 176.907 174.990 -0.063 0.000 1.318 471 C CA 0.280 59.193 59.018 -0.175 0.000 1.776 471 C CB -0.475 27.168 27.740 -0.161 0.000 1.942 471 C HN 0.479 nan 8.230 nan 0.000 0.508 472 N N 0.643 119.330 118.700 -0.022 0.000 2.276 472 N HA 0.054 4.794 4.740 -0.000 0.000 0.212 472 N C -0.432 175.101 175.510 0.037 0.000 1.127 472 N CA 0.534 53.601 53.050 0.029 0.000 0.834 472 N CB 0.105 38.607 38.487 0.025 0.000 1.014 472 N HN 0.548 nan 8.380 nan 0.000 0.491 473 D N 0.810 121.225 120.400 0.024 0.000 2.346 473 D HA 0.165 4.805 4.640 -0.000 0.000 0.255 473 D C -1.780 174.548 176.300 0.047 0.000 1.276 473 D CA -1.787 52.234 54.000 0.034 0.000 0.941 473 D CB 1.958 42.768 40.800 0.016 0.000 1.199 473 D HN -0.060 nan 8.370 nan 0.000 0.537 474 P HA -0.164 nan 4.420 nan 0.000 0.220 474 P C 0.793 178.144 177.300 0.087 0.000 1.144 474 P CA 0.859 64.027 63.100 0.114 0.000 0.800 474 P CB 0.548 32.329 31.700 0.135 0.000 0.772 475 K N -0.905 119.532 120.400 0.062 0.000 2.365 475 K HA 0.145 4.465 4.320 -0.000 0.000 0.197 475 K C 1.763 178.388 176.600 0.043 0.000 1.042 475 K CA 0.537 56.854 56.287 0.050 0.000 0.987 475 K CB 0.086 32.610 32.500 0.039 0.000 0.779 475 K HN 0.237 nan 8.250 nan 0.000 0.484 476 L N -0.276 120.969 121.223 0.036 0.000 3.039 476 L HA 0.200 4.540 4.340 -0.000 0.000 0.269 476 L C 0.589 177.462 176.870 0.004 0.000 1.169 476 L CA -0.407 54.456 54.840 0.037 0.000 0.986 476 L CB 0.498 42.576 42.059 0.032 0.000 1.377 476 L HN -0.013 nan 8.230 nan 0.000 0.575 477 R N 1.551 122.031 120.500 -0.034 0.000 2.570 477 R HA 0.224 4.564 4.340 -0.000 0.000 0.277 477 R C -0.531 175.627 176.300 -0.236 0.000 1.039 477 R CA 0.430 56.431 56.100 -0.166 0.000 1.065 477 R CB 0.501 30.715 30.300 -0.144 0.000 0.964 477 R HN 0.084 nan 8.270 nan 0.000 0.428 478 R N 2.469 122.692 120.500 -0.462 0.000 2.831 478 R HA 0.484 4.824 4.340 -0.000 0.000 0.266 478 R C -1.406 174.351 176.300 -0.905 0.000 1.051 478 R CA -0.568 55.279 56.100 -0.421 0.000 0.943 478 R CB 1.177 31.409 30.300 -0.114 0.000 1.228 478 R HN 0.396 nan 8.270 nan 0.000 0.467 479 F N -0.931 118.996 119.950 -0.038 0.000 2.556 479 F HA 0.677 5.204 4.527 -0.000 0.000 0.314 479 F C 0.246 175.829 175.800 -0.362 0.000 1.106 479 F CA -0.598 57.267 58.000 -0.224 0.000 0.911 479 F CB 2.711 41.551 39.000 -0.267 0.000 1.190 479 F HN 0.271 nan 8.300 nan 0.000 0.448 480 T N 0.641 115.061 114.554 -0.224 0.000 2.865 480 T HA 0.520 4.870 4.350 -0.000 0.000 0.294 480 T C -0.389 174.184 174.700 -0.212 0.000 1.119 480 T CA -0.439 61.518 62.100 -0.237 0.000 1.007 480 T CB 1.437 70.188 68.868 -0.195 0.000 1.225 480 T HN 0.529 nan 8.240 nan 0.000 0.515 481 S N 1.020 116.620 115.700 -0.167 0.000 2.596 481 S HA 0.560 5.030 4.470 -0.000 0.000 0.260 481 S C -0.849 173.713 174.600 -0.063 0.000 1.336 481 S CA -0.478 57.669 58.200 -0.090 0.000 0.993 481 S CB 0.197 63.370 63.200 -0.046 0.000 0.923 481 S HN 0.427 nan 8.310 nan 0.000 0.567 482 L N 1.597 122.807 121.223 -0.021 0.000 2.362 482 L HA 0.383 4.723 4.340 -0.000 0.000 0.275 482 L C 1.222 178.099 176.870 0.011 0.000 0.998 482 L CA 0.004 54.828 54.840 -0.026 0.000 0.820 482 L CB 1.556 43.590 42.059 -0.040 0.000 1.270 482 L HN 0.812 nan 8.230 nan 0.000 0.415 483 S N 0.039 115.730 115.700 -0.014 0.000 2.470 483 S HA 0.102 4.572 4.470 -0.000 0.000 0.225 483 S C 0.365 174.968 174.600 0.005 0.000 1.006 483 S CA 0.292 58.489 58.200 -0.005 0.000 0.934 483 S CB 0.128 63.302 63.200 -0.044 0.000 0.778 483 S HN 0.654 nan 8.310 nan 0.000 0.517 484 D N 0.359 120.740 120.400 -0.032 0.000 2.613 484 D HA 0.215 4.855 4.640 -0.000 0.000 0.230 484 D C -0.001 176.231 176.300 -0.112 0.000 1.365 484 D CA -0.515 53.443 54.000 -0.069 0.000 0.976 484 D CB 1.305 42.058 40.800 -0.078 0.000 1.415 484 D HN 0.252 nan 8.370 nan 0.000 0.589 485 C N 3.109 122.316 119.300 -0.155 0.000 2.855 485 C HA 0.418 4.878 4.460 -0.000 0.000 0.279 485 C C 1.674 176.496 174.990 -0.280 0.000 1.270 485 C CA -0.456 58.446 59.018 -0.194 0.000 1.702 485 C CB -0.865 26.751 27.740 -0.206 0.000 1.949 485 C HN 0.565 nan 8.230 nan 0.000 0.618 486 I N 2.335 122.698 120.570 -0.344 0.000 2.810 486 I HA 0.065 4.235 4.170 -0.000 0.000 0.262 486 I C 1.703 177.591 176.117 -0.381 0.000 1.131 486 I CA 1.136 62.104 61.300 -0.552 0.000 1.453 486 I CB -1.242 36.272 38.000 -0.810 0.000 1.161 486 I HN 0.490 nan 8.210 nan 0.000 0.444 487 T N 1.995 116.402 114.554 -0.245 0.000 2.918 487 T HA 0.494 4.843 4.350 -0.000 0.000 0.302 487 T C -0.250 174.383 174.700 -0.111 0.000 1.045 487 T CA -0.243 61.770 62.100 -0.145 0.000 1.114 487 T CB 1.259 70.068 68.868 -0.099 0.000 0.965 487 T HN 0.057 nan 8.240 nan 0.000 0.540 488 L N 3.565 124.746 121.223 -0.069 0.000 2.381 488 L HA 0.469 4.809 4.340 -0.000 0.000 0.274 488 L C -1.609 175.242 176.870 -0.032 0.000 0.988 488 L CA -2.062 52.748 54.840 -0.049 0.000 0.824 488 L CB 1.845 43.885 42.059 -0.032 0.000 1.263 488 L HN 0.720 nan 8.230 nan 0.000 0.410 489 P HA 0.142 nan 4.420 nan 0.000 0.272 489 P C -0.223 177.043 177.300 -0.056 0.000 1.223 489 P CA -0.343 62.733 63.100 -0.040 0.000 0.784 489 P CB 0.611 32.290 31.700 -0.035 0.000 0.923 490 T N -0.617 113.898 114.554 -0.064 0.000 2.903 490 T HA 0.152 4.501 4.350 -0.000 0.000 0.314 490 T C 0.217 174.874 174.700 -0.071 0.000 1.078 490 T CA -0.526 61.527 62.100 -0.078 0.000 1.114 490 T CB 0.404 69.224 68.868 -0.079 0.000 0.987 490 T HN 0.340 nan 8.240 nan 0.000 0.548 491 K N 2.372 122.728 120.400 -0.073 0.000 2.234 491 K HA 0.309 4.629 4.320 -0.000 0.000 0.277 491 K C 0.030 176.589 176.600 -0.069 0.000 1.038 491 K CA -1.020 55.227 56.287 -0.067 0.000 0.888 491 K CB 0.903 33.366 32.500 -0.062 0.000 1.091 491 K HN 0.427 nan 8.250 nan 0.000 0.467 492 K N 1.317 121.671 120.400 -0.078 0.000 2.185 492 K HA 0.186 4.506 4.320 -0.000 0.000 0.271 492 K C 0.012 176.558 176.600 -0.089 0.000 1.013 492 K CA -0.323 55.911 56.287 -0.089 0.000 0.943 492 K CB 1.681 34.115 32.500 -0.109 0.000 0.998 492 K HN 0.433 nan 8.250 nan 0.000 0.468 493 S N 0.957 116.603 115.700 -0.090 0.000 2.501 493 S HA 0.158 4.628 4.470 -0.000 0.000 0.301 493 S C -0.113 174.416 174.600 -0.119 0.000 1.096 493 S CA -0.815 57.332 58.200 -0.088 0.000 1.063 493 S CB 0.689 63.854 63.200 -0.059 0.000 1.042 493 S HN 0.537 nan 8.310 nan 0.000 0.494 494 N N 3.603 122.226 118.700 -0.128 0.000 3.178 494 N HA 0.251 4.991 4.740 -0.000 0.000 0.300 494 N C -1.000 174.408 175.510 -0.169 0.000 1.242 494 N CA 0.040 52.986 53.050 -0.175 0.000 1.192 494 N CB -0.730 37.650 38.487 -0.178 0.000 1.463 494 N HN 0.607 nan 8.380 nan 0.000 0.539 495 N N 0.942 119.547 118.700 -0.158 0.000 2.521 495 N HA 0.224 4.964 4.740 -0.000 0.000 0.269 495 N C -1.903 173.533 175.510 -0.123 0.000 1.079 495 N CA -0.521 52.454 53.050 -0.125 0.000 0.980 495 N CB 1.021 39.469 38.487 -0.064 0.000 1.667 495 N HN 0.182 nan 8.380 nan 0.000 0.498 496 M N 2.591 122.141 119.600 -0.082 0.000 2.072 496 M HA 0.404 4.884 4.480 -0.000 0.000 0.331 496 M C -0.772 175.477 176.300 -0.084 0.000 1.004 496 M CA -0.553 54.706 55.300 -0.068 0.000 0.952 496 M CB 0.728 33.376 32.600 0.081 0.000 1.511 496 M HN 0.423 nan 8.290 nan 0.000 0.422 497 E N 2.308 122.365 120.200 -0.237 0.000 2.373 497 E HA 0.042 4.392 4.350 -0.000 0.000 0.267 497 E C 0.999 177.383 176.600 -0.359 0.000 1.032 497 E CA 0.257 56.359 56.400 -0.497 0.000 0.889 497 E CB 1.262 30.131 29.700 -1.385 0.000 0.984 497 E HN 0.862 nan 8.360 nan 0.000 0.425 498 S N 2.459 118.023 115.700 -0.226 0.000 2.399 498 S HA -0.214 4.256 4.470 -0.000 0.000 0.231 498 S C 1.685 176.270 174.600 -0.025 0.000 1.022 498 S CA 1.298 59.451 58.200 -0.080 0.000 0.983 498 S CB -0.596 62.574 63.200 -0.051 0.000 0.803 498 S HN 0.566 nan 8.310 nan 0.000 0.480 499 F N 0.079 120.078 119.950 0.083 0.000 2.699 499 F HA 0.273 4.800 4.527 -0.000 0.000 0.298 499 F C 2.131 177.996 175.800 0.108 0.000 1.154 499 F CA -0.654 57.379 58.000 0.055 0.000 1.457 499 F CB -1.098 37.935 39.000 0.055 0.000 1.106 499 F HN 0.337 nan 8.300 nan 0.000 0.585 500 W N 1.875 123.116 121.300 -0.099 0.000 2.388 500 W HA -0.121 4.539 4.660 -0.000 0.000 0.294 500 W C 1.041 177.544 176.519 -0.027 0.000 1.212 500 W CA 1.413 58.715 57.345 -0.071 0.000 1.271 500 W CB -0.217 29.149 29.460 -0.156 0.000 1.126 500 W HN 0.164 nan 8.180 nan 0.000 0.535 501 L N 0.538 121.693 121.223 -0.112 0.000 2.253 501 L HA 0.067 4.407 4.340 -0.000 0.000 0.205 501 L C 2.844 179.735 176.870 0.035 0.000 1.078 501 L CA 0.914 55.674 54.840 -0.134 0.000 0.805 501 L CB -1.212 40.796 42.059 -0.085 0.000 0.963 501 L HN -0.118 nan 8.230 nan 0.000 0.459 502 A N -0.113 122.727 122.820 0.033 0.000 1.968 502 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 502 A C 2.032 179.525 177.584 -0.152 0.000 1.169 502 A CA 1.366 53.397 52.037 -0.010 0.000 0.638 502 A CB -0.049 18.957 19.000 0.009 0.000 0.812 502 A HN 0.442 nan 8.150 nan 0.000 0.446 503 E N -2.132 118.010 120.200 -0.095 0.000 2.419 503 E HA 0.007 4.357 4.350 -0.000 0.000 0.197 503 E C 1.972 178.502 176.600 -0.117 0.000 0.920 503 E CA 0.692 56.977 56.400 -0.192 0.000 1.085 503 E CB -0.113 29.593 29.700 0.011 0.000 1.084 503 E HN 0.387 nan 8.360 nan 0.000 0.490 504 T N 2.726 117.295 114.554 0.025 0.000 2.652 504 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 504 T C 2.042 176.628 174.700 -0.190 0.000 1.039 504 T CA 1.117 63.218 62.100 0.001 0.000 1.153 504 T CB -0.281 68.614 68.868 0.045 0.000 0.863 504 T HN 0.017 nan 8.240 nan 0.000 0.428 505 L N 0.598 121.559 121.223 -0.437 0.000 2.217 505 L HA -0.005 4.335 4.340 -0.000 0.000 0.211 505 L C 2.705 179.467 176.870 -0.179 0.000 1.107 505 L CA 1.058 55.664 54.840 -0.389 0.000 0.783 505 L CB -0.435 41.314 42.059 -0.516 0.000 0.919 505 L HN 0.252 nan 8.230 nan 0.000 0.442 506 K N 0.111 120.380 120.400 -0.219 0.000 2.025 506 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 506 K C 2.167 178.649 176.600 -0.197 0.000 1.049 506 K CA 1.590 57.730 56.287 -0.244 0.000 0.933 506 K CB -0.267 32.011 32.500 -0.370 0.000 0.714 506 K HN 0.198 nan 8.250 nan 0.000 0.438 507 Y N 0.952 121.148 120.300 -0.173 0.000 2.224 507 Y HA -0.179 4.370 4.550 -0.000 0.000 0.289 507 Y C 2.227 178.026 175.900 -0.168 0.000 1.146 507 Y CA 0.665 58.619 58.100 -0.243 0.000 1.182 507 Y CB 0.034 38.357 38.460 -0.228 0.000 0.983 507 Y HN 0.033 nan 8.280 nan 0.000 0.524 508 L N -1.478 119.797 121.223 0.087 0.000 2.083 508 L HA -0.266 4.073 4.340 -0.000 0.000 0.209 508 L C 2.261 179.232 176.870 0.169 0.000 1.083 508 L CA 1.253 56.162 54.840 0.115 0.000 0.752 508 L CB -0.551 41.599 42.059 0.152 0.000 0.899 508 L HN 0.292 nan 8.230 nan 0.000 0.433 509 Y N 0.717 121.007 120.300 -0.015 0.000 2.114 509 Y HA -0.245 4.305 4.550 -0.000 0.000 0.284 509 Y C 2.412 178.285 175.900 -0.046 0.000 1.143 509 Y CA 1.522 59.613 58.100 -0.016 0.000 1.135 509 Y CB -0.202 38.180 38.460 -0.130 0.000 0.980 509 Y HN -0.004 nan 8.280 nan 0.000 0.499 510 I N -0.376 120.128 120.570 -0.110 0.000 2.264 510 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 510 I C 2.324 178.339 176.117 -0.171 0.000 1.111 510 I CA 1.228 62.353 61.300 -0.293 0.000 1.382 510 I CB -0.528 37.156 38.000 -0.527 0.000 1.060 510 I HN 0.311 nan 8.210 nan 0.000 0.418 511 L N 0.646 121.711 121.223 -0.264 0.000 2.079 511 L HA -0.182 4.157 4.340 -0.000 0.000 0.210 511 L C 1.659 178.031 176.870 -0.831 0.000 1.081 511 L CA 2.024 56.525 54.840 -0.565 0.000 0.752 511 L CB -0.652 40.976 42.059 -0.718 0.000 0.896 511 L HN 0.093 nan 8.230 nan 0.000 0.433 512 F N -1.130 118.645 119.950 -0.292 0.000 2.660 512 F HA 0.233 4.760 4.527 -0.000 0.000 0.302 512 F C 0.363 176.017 175.800 -0.242 0.000 1.103 512 F CA -0.820 57.001 58.000 -0.299 0.000 1.340 512 F CB 0.032 38.878 39.000 -0.257 0.000 1.048 512 F HN -0.068 nan 8.300 nan 0.000 0.551 513 L N 0.508 121.682 121.223 -0.081 0.000 2.326 513 L HA 0.169 4.509 4.340 -0.000 0.000 0.278 513 L C 1.096 178.078 176.870 0.186 0.000 1.092 513 L CA 0.216 55.042 54.840 -0.023 0.000 0.810 513 L CB 0.499 42.538 42.059 -0.033 0.000 1.153 513 L HN -0.070 nan 8.230 nan 0.000 0.439 514 D N 0.454 120.948 120.400 0.157 0.000 2.249 514 D HA -0.009 4.630 4.640 -0.000 0.000 0.205 514 D C 0.111 176.564 176.300 0.254 0.000 0.962 514 D CA 0.972 55.109 54.000 0.228 0.000 0.860 514 D CB 0.527 41.410 40.800 0.138 0.000 0.955 514 D HN 0.388 nan 8.370 nan 0.000 0.505 515 E N -0.001 120.304 120.200 0.176 0.000 2.185 515 E HA 0.292 4.641 4.350 -0.000 0.000 0.261 515 E C -1.245 175.422 176.600 0.112 0.000 0.879 515 E CA -0.554 55.918 56.400 0.119 0.000 0.756 515 E CB 1.512 31.241 29.700 0.049 0.000 1.152 515 E HN -0.075 nan 8.360 nan 0.000 0.416 516 F N 2.645 122.491 119.950 -0.172 0.000 3.152 516 F HA 0.111 4.637 4.527 -0.000 0.000 0.367 516 F C -0.764 174.913 175.800 -0.206 0.000 1.272 516 F CA -0.867 56.964 58.000 -0.282 0.000 1.172 516 F CB 1.041 39.678 39.000 -0.604 0.000 1.552 516 F HN 0.133 nan 8.300 nan 0.000 0.616 517 D N 5.998 126.153 120.400 -0.408 0.000 2.374 517 D HA 0.172 4.812 4.640 -0.000 0.000 0.240 517 D C 0.938 177.107 176.300 -0.218 0.000 1.229 517 D CA 0.197 54.062 54.000 -0.224 0.000 0.895 517 D CB 0.798 41.480 40.800 -0.195 0.000 1.046 517 D HN 0.688 nan 8.370 nan 0.000 0.498 518 L N 2.923 124.145 121.223 -0.002 0.000 2.622 518 L HA -0.046 4.294 4.340 -0.000 0.000 0.233 518 L C 2.127 179.036 176.870 0.065 0.000 1.156 518 L CA 0.721 55.636 54.840 0.125 0.000 0.866 518 L CB -0.295 41.941 42.059 0.294 0.000 0.980 518 L HN 0.433 nan 8.230 nan 0.000 0.448 519 T N -5.054 109.499 114.554 -0.002 0.000 3.065 519 T HA 0.021 4.371 4.350 -0.000 0.000 0.252 519 T C 1.530 176.190 174.700 -0.067 0.000 1.099 519 T CA 0.100 62.190 62.100 -0.017 0.000 1.063 519 T CB 0.131 68.998 68.868 -0.002 0.000 0.948 519 T HN 0.213 nan 8.240 nan 0.000 0.506 520 K N 0.231 120.566 120.400 -0.108 0.000 2.358 520 K HA 0.470 4.790 4.320 -0.000 0.000 0.200 520 K C -0.192 176.306 176.600 -0.171 0.000 1.030 520 K CA -0.113 56.094 56.287 -0.132 0.000 1.097 520 K CB 1.374 33.792 32.500 -0.137 0.000 0.862 520 K HN 0.271 nan 8.250 nan 0.000 0.534 521 V N 0.583 120.386 119.914 -0.184 0.000 3.007 521 V HA 0.470 4.590 4.120 -0.000 0.000 0.311 521 V C -1.741 174.227 176.094 -0.210 0.000 1.120 521 V CA -0.798 61.356 62.300 -0.244 0.000 0.980 521 V CB 2.373 33.996 31.823 -0.332 0.000 1.033 521 V HN -0.238 nan 8.190 nan 0.000 0.429 522 V N 5.863 125.607 119.914 -0.284 0.000 2.525 522 V HA 0.512 4.632 4.120 -0.000 0.000 0.299 522 V C -0.728 175.193 176.094 -0.289 0.000 1.034 522 V CA -0.543 61.644 62.300 -0.187 0.000 0.863 522 V CB 1.538 33.230 31.823 -0.219 0.000 0.999 522 V HN 0.735 nan 8.190 nan 0.000 0.423 523 F N 3.597 123.549 119.950 0.004 0.000 2.412 523 F HA 0.334 4.861 4.527 -0.000 0.000 0.348 523 F C 1.094 176.791 175.800 -0.171 0.000 1.102 523 F CA 0.007 57.985 58.000 -0.036 0.000 1.196 523 F CB 0.812 39.942 39.000 0.216 0.000 1.144 523 F HN 0.727 nan 8.300 nan 0.000 0.541 524 N N 0.243 118.822 118.700 -0.202 0.000 2.327 524 N HA 0.015 4.755 4.740 -0.000 0.000 0.257 524 N C 0.915 176.503 175.510 0.130 0.000 1.281 524 N CA -0.325 52.628 53.050 -0.162 0.000 0.942 524 N CB 0.579 38.840 38.487 -0.377 0.000 1.199 524 N HN 0.597 nan 8.380 nan 0.000 0.532 525 T N -1.371 113.333 114.554 0.251 0.000 3.051 525 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 525 T C 0.786 175.488 174.700 0.004 0.000 1.127 525 T CA 1.049 63.222 62.100 0.121 0.000 1.107 525 T CB -0.519 68.350 68.868 0.001 0.000 0.898 525 T HN 0.627 nan 8.240 nan 0.000 0.517 526 E N 0.040 120.191 120.200 -0.081 0.000 2.496 526 E HA 0.569 4.919 4.350 -0.000 0.000 0.202 526 E C 0.725 177.046 176.600 -0.464 0.000 1.021 526 E CA 0.444 56.693 56.400 -0.251 0.000 1.015 526 E CB -0.453 29.073 29.700 -0.290 0.000 1.102 526 E HN 0.318 nan 8.360 nan 0.000 0.452 527 A N 0.894 123.602 122.820 -0.186 0.000 2.832 527 A HA -0.214 4.106 4.320 -0.000 0.000 0.280 527 A C -0.539 177.024 177.584 -0.035 0.000 1.464 527 A CA 1.030 52.981 52.037 -0.144 0.000 0.804 527 A CB -2.368 16.243 19.000 -0.648 0.000 1.020 527 A HN 0.456 nan 8.150 nan 0.000 0.563 528 H N 0.110 119.225 119.070 0.074 0.000 2.640 528 H HA 0.389 4.944 4.556 -0.000 0.000 0.297 528 H C -2.496 172.757 175.328 -0.124 0.000 1.073 528 H CA -1.638 54.424 56.048 0.023 0.000 1.305 528 H CB 0.754 30.536 29.762 0.034 0.000 1.404 528 H HN 0.419 nan 8.280 nan 0.000 0.459 529 P HA 0.119 nan 4.420 nan 0.000 0.276 529 P C -0.483 176.903 177.300 0.142 0.000 1.243 529 P CA 0.337 63.304 63.100 -0.223 0.000 0.768 529 P CB 0.471 31.991 31.700 -0.299 0.000 0.856 530 F N 4.512 124.250 119.950 -0.353 0.000 2.507 530 F HA 0.436 4.963 4.527 -0.000 0.000 0.327 530 F C -1.656 173.666 175.800 -0.797 0.000 1.068 530 F CA -3.080 54.510 58.000 -0.684 0.000 0.965 530 F CB 2.869 41.402 39.000 -0.779 0.000 1.192 530 F HN 0.135 nan 8.300 nan 0.000 0.476 531 P HA 0.122 nan 4.420 nan 0.000 0.281 531 P C -0.709 176.309 177.300 -0.470 0.000 1.249 531 P CA -0.232 62.495 63.100 -0.622 0.000 0.810 531 P CB 1.895 33.222 31.700 -0.621 0.000 1.008 532 V N 3.459 123.182 119.914 -0.317 0.000 2.585 532 V HA -0.011 4.108 4.120 -0.000 0.000 0.296 532 V C 0.983 176.917 176.094 -0.267 0.000 1.035 532 V CA 0.144 62.267 62.300 -0.294 0.000 1.084 532 V CB -0.267 31.433 31.823 -0.204 0.000 0.953 532 V HN 0.326 nan 8.190 nan 0.000 0.483 533 L N 3.970 125.006 121.223 -0.311 0.000 2.375 533 L HA 0.379 4.719 4.340 -0.000 0.000 0.271 533 L C 0.618 177.506 176.870 0.031 0.000 1.107 533 L CA -0.385 54.270 54.840 -0.308 0.000 0.806 533 L CB 0.579 42.349 42.059 -0.481 0.000 1.146 533 L HN 0.591 nan 8.230 nan 0.000 0.447 534 D N 2.138 122.586 120.400 0.081 0.000 2.339 534 D HA -0.008 4.632 4.640 -0.000 0.000 0.256 534 D C 0.837 177.223 176.300 0.143 0.000 1.214 534 D CA 0.060 54.138 54.000 0.129 0.000 0.877 534 D CB 1.119 42.001 40.800 0.137 0.000 1.111 534 D HN 0.576 nan 8.370 nan 0.000 0.478 535 E N 2.698 122.931 120.200 0.054 0.000 2.097 535 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 535 E C 1.352 177.977 176.600 0.042 0.000 1.000 535 E CA 1.010 57.436 56.400 0.043 0.000 0.804 535 E CB 0.267 29.892 29.700 -0.124 0.000 0.740 535 E HN 0.559 nan 8.360 nan 0.000 0.454 536 E N 0.477 120.688 120.200 0.018 0.000 2.110 536 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 536 E C 2.161 178.781 176.600 0.033 0.000 0.988 536 E CA 0.738 57.147 56.400 0.015 0.000 0.804 536 E CB -0.137 29.565 29.700 0.003 0.000 0.745 536 E HN 0.396 nan 8.360 nan 0.000 0.458 537 I N 0.690 121.306 120.570 0.076 0.000 2.353 537 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 537 I C 2.409 178.568 176.117 0.070 0.000 1.119 537 I CA 0.602 61.949 61.300 0.077 0.000 1.417 537 I CB -0.203 37.889 38.000 0.152 0.000 1.078 537 I HN 0.043 nan 8.210 nan 0.000 0.421 538 L N 1.141 122.440 121.223 0.127 0.000 2.046 538 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 538 L C 3.186 180.025 176.870 -0.051 0.000 1.077 538 L CA 1.867 56.744 54.840 0.060 0.000 0.747 538 L CB -0.956 41.166 42.059 0.106 0.000 0.896 538 L HN 0.233 nan 8.230 nan 0.000 0.432 539 K N 0.388 120.777 120.400 -0.018 0.000 2.026 539 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 539 K C 2.234 178.802 176.600 -0.052 0.000 1.048 539 K CA 1.904 58.168 56.287 -0.038 0.000 0.929 539 K CB -1.490 31.001 32.500 -0.015 0.000 0.713 539 K HN 0.565 nan 8.250 nan 0.000 0.439 540 S N 0.595 116.271 115.700 -0.039 0.000 2.442 540 S HA -0.193 4.277 4.470 -0.000 0.000 0.236 540 S C 1.947 176.507 174.600 -0.067 0.000 1.007 540 S CA 1.467 59.640 58.200 -0.045 0.000 0.965 540 S CB -0.165 63.014 63.200 -0.035 0.000 0.773 540 S HN 0.719 nan 8.310 nan 0.000 0.504 541 Q N 0.476 120.224 119.800 -0.087 0.000 2.360 541 Q HA 0.306 4.646 4.340 -0.000 0.000 0.202 541 Q C -0.065 175.847 176.000 -0.148 0.000 0.915 541 Q CA 0.235 55.970 55.803 -0.113 0.000 0.943 541 Q CB 0.228 28.892 28.738 -0.125 0.000 1.064 541 Q HN 0.533 nan 8.270 nan 0.000 0.511 542 S N 0.285 115.898 115.700 -0.146 0.000 3.672 542 S HA -0.140 4.330 4.470 -0.000 0.000 0.319 542 S C -0.141 174.279 174.600 -0.300 0.000 1.151 542 S CA 0.276 58.378 58.200 -0.164 0.000 0.911 542 S CB -1.499 61.630 63.200 -0.118 0.000 0.939 542 S HN 0.404 nan 8.310 nan 0.000 0.524 543 L N 2.359 123.316 121.223 -0.443 0.000 2.315 543 L HA 0.413 4.753 4.340 -0.000 0.000 0.278 543 L C 0.836 177.241 176.870 -0.776 0.000 1.088 543 L CA -0.005 54.228 54.840 -1.012 0.000 0.899 543 L CB 0.486 41.833 42.059 -1.187 0.000 1.277 543 L HN 0.434 nan 8.230 nan 0.000 0.431 544 T N -2.244 112.063 114.554 -0.412 0.000 2.864 544 T HA 0.374 4.724 4.350 -0.000 0.000 0.289 544 T C 0.047 174.993 174.700 0.411 0.000 1.082 544 T CA -0.762 61.376 62.100 0.065 0.000 1.009 544 T CB 1.609 70.498 68.868 0.035 0.000 1.234 544 T HN 0.151 nan 8.240 nan 0.000 0.526 545 T N 1.454 116.241 114.554 0.389 0.000 2.751 545 T HA 0.391 4.741 4.350 -0.000 0.000 0.290 545 T C 1.431 176.310 174.700 0.298 0.000 0.919 545 T CA -0.050 62.285 62.100 0.391 0.000 1.136 545 T CB 0.278 69.229 68.868 0.139 0.000 0.875 545 T HN 0.901 nan 8.240 nan 0.000 0.532 546 G N 3.519 112.587 108.800 0.447 0.000 3.181 546 G HA2 0.281 4.241 3.960 -0.000 0.000 0.219 546 G HA3 0.281 4.241 3.960 -0.000 0.000 0.219 546 G C 0.108 175.248 174.900 0.401 0.000 1.182 546 G CA -0.547 44.767 45.100 0.357 0.000 0.791 546 G HN 0.799 nan 8.290 nan 0.000 0.537 547 W N -1.469 119.893 121.300 0.104 0.000 2.959 547 W HA 0.777 5.437 4.660 0.000 0.000 0.358 547 W C -1.369 175.153 176.519 0.004 0.000 1.228 547 W CA -1.048 56.333 57.345 0.061 0.000 1.183 547 W CB 0.837 30.348 29.460 0.084 0.000 1.467 547 W HN -0.040 nan 8.180 nan 0.000 0.578 548 S N 0.200 115.742 115.700 -0.264 0.000 2.672 548 S HA 0.806 5.276 4.470 -0.000 0.000 0.271 548 S C -2.103 172.267 174.600 -0.384 0.000 1.171 548 S CA -0.352 57.487 58.200 -0.602 0.000 0.817 548 S CB 1.798 64.818 63.200 -0.300 0.000 1.150 548 S HN 0.707 nan 8.310 nan 0.000 0.478 549 L N 0.000 120.995 121.223 -0.380 0.000 2.949 549 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 549 L CA 0.000 54.743 54.840 -0.162 0.000 0.813 549 L CB 0.000 41.949 42.059 -0.184 0.000 0.961 549 L HN 0.000 nan 8.230 nan 0.000 0.502