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 3ltg_1_C DATA FIRST_RESID 0 DATA SEQUENCE HKIcIGTKSR LSVPSNKEHH YRNLRDRYTN cTYVDGNLEL TWLPNENLDL DATA SEQUENCE SFLDNIREVT GYILISHVDV KKVVFPKLQI IRGRTLFSLS VEEEKYALFV DATA SEQUENCE TYSKMYTLEI PDLRDVLNGQ VGFHNNYNLc HMRTIQWSEI VSNGXXXXXX DATA SEQUENCE XXXTAPEREc PKcHEScTHG cWGEGPKNcQ KFSKLTcSPQ cAGGRcYGPK DATA SEQUENCE PREccHLFcA GGcTGPTQKD cIAcKNFFDE GVcKEEcPPM RKYNPTTYVL DATA SEQUENCE ETNPEGKYAY GATcVKEcPG HLLRDNGAcV RScPQDKMDK GGEcVPcNGP DATA SEQUENCE cPKTcPGVTV LHAGNIDSFR NcTVIDGNIR ILDQTFSGFQ DVYANYTMGP DATA SEQUENCE RYIPLDPERL EVFSTVKEIT GYLNIEGTHP QFRNLSYFRN LETIHGRQLM DATA SEQUENCE ESMFAALAIV KSSLYSLEMR NLKQISSGSV VIQHNRDLcY VSNIRWPAIQ DATA SEQUENCE KEPEQKVWVN ENLRADLcEK NGTIcSDQcN EDGcWGAGTD QcLNcKNFNF DATA SEQUENCE NGTcIADcGY ISNAYKFDNR TcKIcHPEcR TcNGAGADHc 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.333 175.328 0.009 0.000 0.993 0 H CA 0.000 56.046 56.048 -0.003 0.000 1.023 0 H CB 0.000 29.735 29.762 -0.045 0.000 1.292 1 K N 1.858 122.283 120.400 0.042 0.000 2.270 1 K HA 0.577 4.897 4.320 0.001 0.000 0.276 1 K C -0.217 176.448 176.600 0.108 0.000 1.023 1 K CA -0.262 56.063 56.287 0.063 0.000 0.955 1 K CB 0.556 33.097 32.500 0.068 0.000 0.975 1 K HN 0.560 nan 8.250 nan 0.000 0.471 2 I N 3.527 124.167 120.570 0.117 0.000 2.664 2 I HA 0.254 4.424 4.170 0.001 0.000 0.308 2 I C -0.037 176.183 176.117 0.172 0.000 0.984 2 I CA -0.728 60.691 61.300 0.199 0.000 1.213 2 I CB 1.301 39.413 38.000 0.186 0.000 1.379 2 I HN 0.789 nan 8.210 nan 0.000 0.501 3 c N 4.088 122.791 118.600 0.173 0.000 3.173 3 c HA 0.605 5.176 4.570 0.001 0.000 0.310 3 c C -0.835 173.286 174.090 0.051 0.000 1.306 3 c CA -1.001 55.371 56.329 0.071 0.000 1.426 3 c CB 1.066 43.593 42.510 0.028 0.000 1.800 3 c HN 0.447 nan 8.230 nan 0.000 0.470 4 I N 2.692 123.230 120.570 -0.052 0.000 2.331 4 I HA 0.538 4.708 4.170 0.001 0.000 0.292 4 I C 1.062 177.139 176.117 -0.066 0.000 0.998 4 I CA 0.087 61.356 61.300 -0.052 0.000 1.267 4 I CB 0.660 38.592 38.000 -0.114 0.000 1.386 4 I HN 1.098 nan 8.210 nan 0.000 0.476 5 G N 4.155 112.954 108.800 -0.001 0.000 2.476 5 G HA2 0.465 4.425 3.960 0.001 0.000 0.269 5 G HA3 0.465 4.425 3.960 0.001 0.000 0.269 5 G C 0.323 175.221 174.900 -0.004 0.000 1.195 5 G CA -0.235 44.895 45.100 0.050 0.000 0.843 5 G HN 0.713 nan 8.290 nan 0.000 0.545 6 T N -2.110 112.464 114.554 0.035 0.000 2.788 6 T HA 0.473 4.823 4.350 0.001 0.000 0.280 6 T C 0.441 175.159 174.700 0.030 0.000 0.984 6 T CA -0.386 61.728 62.100 0.023 0.000 0.972 6 T CB 1.316 70.221 68.868 0.061 0.000 1.039 6 T HN 0.735 nan 8.240 nan 0.000 0.530 7 K N -0.380 120.056 120.400 0.061 0.000 3.307 7 K HA 0.272 4.592 4.320 0.001 0.000 0.188 7 K C -0.013 176.681 176.600 0.156 0.000 1.063 7 K CA -0.661 55.690 56.287 0.108 0.000 0.949 7 K CB 0.125 32.673 32.500 0.080 0.000 0.707 7 K HN 0.414 nan 8.250 nan 0.000 0.441 8 S N 0.953 116.747 115.700 0.157 0.000 2.556 8 S HA 0.146 4.616 4.470 0.001 0.000 0.216 8 S C 0.354 175.072 174.600 0.198 0.000 0.970 8 S CA -0.359 57.930 58.200 0.148 0.000 0.912 8 S CB -0.216 63.047 63.200 0.104 0.000 0.790 8 S HN 0.526 nan 8.310 nan 0.000 0.504 9 R N 0.345 121.008 120.500 0.272 0.000 3.853 9 R HA -0.231 4.109 4.340 0.001 0.000 0.440 9 R C 0.521 176.978 176.300 0.260 0.000 0.241 9 R CA 1.666 57.957 56.100 0.318 0.000 1.395 9 R CB -1.469 29.042 30.300 0.353 0.000 0.984 9 R HN 0.240 nan 8.270 nan 0.000 0.570 10 L N 1.264 122.640 121.223 0.255 0.000 2.599 10 L HA 0.121 4.461 4.340 0.001 0.000 0.230 10 L C 0.306 177.367 176.870 0.318 0.000 1.141 10 L CA 0.036 55.046 54.840 0.283 0.000 0.877 10 L CB 0.096 42.295 42.059 0.233 0.000 1.009 10 L HN 0.275 nan 8.230 nan 0.000 0.447 11 S N 0.293 116.097 115.700 0.174 0.000 2.576 11 S HA 0.417 4.888 4.470 0.001 0.000 0.276 11 S C -0.022 174.538 174.600 -0.067 0.000 1.339 11 S CA -0.507 57.712 58.200 0.033 0.000 1.039 11 S CB 1.628 64.843 63.200 0.025 0.000 0.902 11 S HN 0.119 nan 8.310 nan 0.000 0.516 12 V N 0.488 120.232 119.914 -0.284 0.000 3.114 12 V HA 0.634 4.754 4.120 0.001 0.000 0.308 12 V C -2.947 172.921 176.094 -0.377 0.000 1.168 12 V CA -2.541 59.467 62.300 -0.486 0.000 1.015 12 V CB 0.397 31.693 31.823 -0.879 0.000 1.050 12 V HN 0.574 nan 8.190 nan 0.000 0.433 13 P HA 0.273 nan 4.420 nan 0.000 0.269 13 P C 1.042 178.237 177.300 -0.176 0.000 1.209 13 P CA 0.231 63.239 63.100 -0.154 0.000 0.776 13 P CB 0.937 32.644 31.700 0.012 0.000 0.876 14 S N 1.223 116.851 115.700 -0.120 0.000 2.353 14 S HA -0.169 4.301 4.470 0.001 0.000 0.222 14 S C 1.031 175.588 174.600 -0.072 0.000 1.035 14 S CA 1.187 59.316 58.200 -0.119 0.000 1.025 14 S CB -0.710 62.436 63.200 -0.089 0.000 0.902 14 S HN 0.603 nan 8.310 nan 0.000 0.440 15 N N 1.007 119.701 118.700 -0.010 0.000 2.402 15 N HA 0.147 4.888 4.740 0.001 0.000 0.259 15 N C 0.377 175.965 175.510 0.130 0.000 1.167 15 N CA 0.039 53.121 53.050 0.053 0.000 0.949 15 N CB 0.703 39.225 38.487 0.058 0.000 1.212 15 N HN 0.022 nan 8.380 nan 0.000 0.493 16 K N 1.833 122.300 120.400 0.111 0.000 2.283 16 K HA -0.052 4.268 4.320 0.001 0.000 0.202 16 K C 1.059 177.805 176.600 0.242 0.000 1.048 16 K CA 1.005 57.410 56.287 0.197 0.000 0.948 16 K CB 0.204 32.816 32.500 0.187 0.000 0.742 16 K HN 0.559 nan 8.250 nan 0.000 0.458 17 E N -1.058 119.256 120.200 0.190 0.000 2.072 17 E HA -0.184 4.167 4.350 0.001 0.000 0.191 17 E C 1.733 178.479 176.600 0.243 0.000 0.985 17 E CA 1.208 57.725 56.400 0.194 0.000 0.801 17 E CB -0.184 29.596 29.700 0.133 0.000 0.750 17 E HN 0.369 nan 8.360 nan 0.000 0.452 18 H N -0.304 118.838 119.070 0.120 0.000 2.319 18 H HA -0.176 4.381 4.556 0.001 0.000 0.299 18 H C 2.035 177.434 175.328 0.119 0.000 1.092 18 H CA 2.200 58.302 56.048 0.090 0.000 1.302 18 H CB -0.208 29.584 29.762 0.049 0.000 1.373 18 H HN 0.230 nan 8.280 nan 0.000 0.497 19 H N -0.660 118.393 119.070 -0.029 0.000 2.319 19 H HA -0.214 4.342 4.556 0.001 0.000 0.299 19 H C 2.124 177.421 175.328 -0.051 0.000 1.092 19 H CA 2.197 58.200 56.048 -0.076 0.000 1.302 19 H CB -0.955 28.841 29.762 0.055 0.000 1.373 19 H HN 0.543 nan 8.280 nan 0.000 0.497 20 Y N 0.927 121.175 120.300 -0.086 0.000 2.128 20 Y HA -0.202 4.348 4.550 0.001 0.000 0.284 20 Y C 2.818 178.608 175.900 -0.183 0.000 1.154 20 Y CA 2.178 60.200 58.100 -0.131 0.000 1.149 20 Y CB -0.368 38.095 38.460 0.004 0.000 0.976 20 Y HN 0.103 nan 8.280 nan 0.000 0.505 21 R N 0.212 120.598 120.500 -0.190 0.000 2.148 21 R HA -0.148 4.192 4.340 0.001 0.000 0.227 21 R C 1.883 177.937 176.300 -0.410 0.000 1.103 21 R CA 1.316 57.244 56.100 -0.286 0.000 0.983 21 R CB -0.200 30.087 30.300 -0.021 0.000 0.874 21 R HN 0.378 nan 8.270 nan 0.000 0.451 22 N N 0.569 119.007 118.700 -0.437 0.000 2.120 22 N HA -0.142 4.599 4.740 0.001 0.000 0.188 22 N C 1.711 176.933 175.510 -0.479 0.000 1.024 22 N CA 1.148 53.939 53.050 -0.432 0.000 0.852 22 N CB -0.151 38.099 38.487 -0.394 0.000 1.003 22 N HN 0.228 nan 8.380 nan 0.000 0.424 23 L N 0.507 121.377 121.223 -0.589 0.000 2.056 23 L HA -0.062 4.278 4.340 0.001 0.000 0.207 23 L C 2.584 178.858 176.870 -0.994 0.000 1.078 23 L CA 0.876 55.307 54.840 -0.681 0.000 0.749 23 L CB -0.328 41.320 42.059 -0.685 0.000 0.901 23 L HN 0.163 nan 8.230 nan 0.000 0.433 24 R N 0.377 120.223 120.500 -1.091 0.000 2.081 24 R HA -0.188 4.153 4.340 0.001 0.000 0.235 24 R C 1.776 177.790 176.300 -0.476 0.000 1.131 24 R CA 1.983 57.546 56.100 -0.896 0.000 0.960 24 R CB -0.115 29.781 30.300 -0.673 0.000 0.856 24 R HN 0.299 nan 8.270 nan 0.000 0.436 25 D N -0.271 119.879 120.400 -0.417 0.000 2.084 25 D HA -0.178 4.463 4.640 0.001 0.000 0.194 25 D C 1.949 178.062 176.300 -0.311 0.000 0.990 25 D CA 1.311 55.139 54.000 -0.287 0.000 0.826 25 D CB -0.170 40.476 40.800 -0.256 0.000 0.971 25 D HN 0.212 nan 8.370 nan 0.000 0.453 26 R N -0.765 119.464 120.500 -0.453 0.000 2.073 26 R HA -0.144 4.196 4.340 0.001 0.000 0.234 26 R C 1.647 177.626 176.300 -0.537 0.000 1.134 26 R CA 1.382 57.131 56.100 -0.585 0.000 0.952 26 R CB -0.219 29.557 30.300 -0.873 0.000 0.850 26 R HN 0.317 nan 8.270 nan 0.000 0.433 27 Y N 0.184 120.361 120.300 -0.205 0.000 2.481 27 Y HA 0.121 4.672 4.550 0.001 0.000 0.258 27 Y C 0.685 176.618 175.900 0.056 0.000 1.103 27 Y CA 0.082 58.156 58.100 -0.045 0.000 1.287 27 Y CB 0.390 38.886 38.460 0.060 0.000 1.108 27 Y HN 0.061 nan 8.280 nan 0.000 0.529 28 T N -0.799 113.837 114.554 0.137 0.000 2.940 28 T HA 0.008 4.358 4.350 0.001 0.000 0.309 28 T C 0.490 175.252 174.700 0.103 0.000 1.056 28 T CA -0.117 62.078 62.100 0.157 0.000 1.137 28 T CB 0.411 69.339 68.868 0.100 0.000 0.976 28 T HN 0.382 nan 8.240 nan 0.000 0.547 29 N N -1.349 117.411 118.700 0.099 0.000 2.753 29 N HA -0.172 4.568 4.740 0.001 0.000 0.251 29 N C -0.035 175.528 175.510 0.089 0.000 1.097 29 N CA 0.787 53.882 53.050 0.075 0.000 0.786 29 N CB -2.122 36.397 38.487 0.054 0.000 1.137 29 N HN 0.899 nan 8.380 nan 0.000 0.566 30 c N -0.420 118.255 118.600 0.126 0.000 2.435 30 c HA 0.428 4.998 4.570 0.001 0.000 0.375 30 c C 2.131 176.301 174.090 0.134 0.000 1.281 30 c CA 0.081 56.497 56.329 0.145 0.000 1.963 30 c CB 0.280 42.916 42.510 0.209 0.000 2.490 30 c HN 0.492 nan 8.230 nan 0.000 0.557 31 T N 2.634 117.270 114.554 0.136 0.000 3.021 31 T HA 0.130 4.480 4.350 0.001 0.000 0.245 31 T C -0.843 173.967 174.700 0.183 0.000 1.028 31 T CA 0.869 63.047 62.100 0.130 0.000 1.139 31 T CB -0.086 68.844 68.868 0.104 0.000 0.884 31 T HN 0.707 nan 8.240 nan 0.000 0.457 32 Y N 1.504 121.832 120.300 0.045 0.000 2.332 32 Y HA 0.575 5.125 4.550 0.001 0.000 0.325 32 Y C -1.131 174.806 175.900 0.061 0.000 1.054 32 Y CA -1.678 56.442 58.100 0.034 0.000 1.119 32 Y CB 1.391 39.854 38.460 0.005 0.000 1.168 32 Y HN -0.107 nan 8.280 nan 0.000 0.439 33 V N 6.257 126.016 119.914 -0.259 0.000 2.350 33 V HA 0.410 4.530 4.120 0.001 0.000 0.276 33 V C -0.827 175.059 176.094 -0.346 0.000 1.028 33 V CA -0.298 61.930 62.300 -0.120 0.000 0.860 33 V CB 1.078 32.926 31.823 0.042 0.000 0.990 33 V HN 0.839 nan 8.190 nan 0.000 0.453 34 D N 5.498 125.827 120.400 -0.119 0.000 2.352 34 D HA 0.629 5.269 4.640 0.001 0.000 0.245 34 D C 0.394 176.673 176.300 -0.035 0.000 1.224 34 D CA 1.686 55.656 54.000 -0.050 0.000 0.879 34 D CB 0.544 41.445 40.800 0.169 0.000 1.057 34 D HN 1.326 nan 8.370 nan 0.000 0.491 35 G N 3.389 112.138 108.800 -0.084 0.000 2.352 35 G HA2 -0.139 3.822 3.960 0.001 0.000 0.324 35 G HA3 -0.139 3.822 3.960 0.001 0.000 0.324 35 G C -0.801 174.006 174.900 -0.155 0.000 1.249 35 G CA -0.991 44.057 45.100 -0.087 0.000 1.053 35 G HN 0.570 nan 8.290 nan 0.000 0.492 36 N N 0.206 118.766 118.700 -0.233 0.000 2.488 36 N HA 0.426 5.167 4.740 0.001 0.000 0.274 36 N C -0.448 174.952 175.510 -0.184 0.000 1.111 36 N CA -0.441 52.352 53.050 -0.429 0.000 0.974 36 N CB 1.825 39.810 38.487 -0.837 0.000 1.089 36 N HN 0.608 nan 8.380 nan 0.000 0.465 37 L N 1.877 123.014 121.223 -0.143 0.000 2.265 37 L HA 0.352 4.692 4.340 0.001 0.000 0.289 37 L C -0.637 176.241 176.870 0.013 0.000 1.033 37 L CA -0.299 54.514 54.840 -0.044 0.000 0.814 37 L CB 0.627 42.569 42.059 -0.194 0.000 1.203 37 L HN 0.461 nan 8.230 nan 0.000 0.423 38 E N 5.439 125.704 120.200 0.109 0.000 2.114 38 E HA 0.333 4.683 4.350 0.001 0.000 0.266 38 E C -1.192 175.512 176.600 0.172 0.000 0.896 38 E CA -0.590 55.906 56.400 0.160 0.000 0.750 38 E CB 1.902 31.728 29.700 0.210 0.000 1.121 38 E HN 0.545 nan 8.360 nan 0.000 0.413 39 L N 4.182 125.491 121.223 0.144 0.000 2.321 39 L HA 0.279 4.620 4.340 0.001 0.000 0.272 39 L C -0.594 176.370 176.870 0.156 0.000 1.050 39 L CA 0.029 54.964 54.840 0.159 0.000 0.893 39 L CB 0.573 42.723 42.059 0.152 0.000 1.272 39 L HN 0.495 nan 8.230 nan 0.000 0.435 40 T N -1.116 113.584 114.554 0.243 0.000 2.893 40 T HA 0.535 4.886 4.350 0.001 0.000 0.291 40 T C -0.582 174.384 174.700 0.444 0.000 1.028 40 T CA -0.524 61.704 62.100 0.214 0.000 0.995 40 T CB 0.781 69.779 68.868 0.216 0.000 1.051 40 T HN 0.499 nan 8.240 nan 0.000 0.470 41 W N 0.513 121.982 121.300 0.282 0.000 5.324 41 W HA -0.073 4.587 4.660 0.001 0.000 0.404 41 W C -1.002 175.686 176.519 0.280 0.000 1.566 41 W CA -0.524 56.986 57.345 0.275 0.000 0.927 41 W CB -2.053 27.539 29.460 0.220 0.000 2.757 41 W HN 0.480 nan 8.180 nan 0.000 1.382 42 L N 2.856 124.277 121.223 0.331 0.000 2.315 42 L HA 0.289 4.630 4.340 0.001 0.000 0.278 42 L C -0.646 176.351 176.870 0.211 0.000 1.088 42 L CA -2.265 52.734 54.840 0.265 0.000 0.899 42 L CB 0.142 42.333 42.059 0.220 0.000 1.277 42 L HN -0.180 nan 8.230 nan 0.000 0.431 43 P HA -0.009 nan 4.420 nan 0.000 0.245 43 P C 0.079 177.459 177.300 0.133 0.000 1.203 43 P CA 0.311 63.533 63.100 0.204 0.000 0.792 43 P CB 0.491 32.348 31.700 0.261 0.000 0.997 44 N N 1.370 120.131 118.700 0.101 0.000 2.424 44 N HA 0.081 4.821 4.740 0.001 0.000 0.271 44 N C -0.397 175.132 175.510 0.031 0.000 0.985 44 N CA -0.238 52.845 53.050 0.054 0.000 0.921 44 N CB 1.503 40.006 38.487 0.026 0.000 1.149 44 N HN -0.042 nan 8.380 nan 0.000 0.492 45 E N 2.232 122.452 120.200 0.033 0.000 2.425 45 E HA 0.055 4.405 4.350 0.001 0.000 0.258 45 E C 0.187 176.778 176.600 -0.015 0.000 1.151 45 E CA -0.297 56.113 56.400 0.018 0.000 0.958 45 E CB 0.382 30.095 29.700 0.022 0.000 0.968 45 E HN 0.602 nan 8.360 nan 0.000 0.451 46 N N -1.217 117.467 118.700 -0.027 0.000 2.965 46 N HA -0.154 4.587 4.740 0.001 0.000 0.232 46 N C -0.683 174.779 175.510 -0.079 0.000 0.913 46 N CA 0.526 53.548 53.050 -0.046 0.000 0.981 46 N CB -0.855 37.606 38.487 -0.043 0.000 1.077 46 N HN 0.291 nan 8.380 nan 0.000 0.589 47 L N 1.922 123.085 121.223 -0.100 0.000 2.456 47 L HA 0.037 4.378 4.340 0.001 0.000 0.272 47 L C 1.978 178.829 176.870 -0.031 0.000 1.189 47 L CA 0.788 55.518 54.840 -0.183 0.000 0.846 47 L CB 0.390 42.336 42.059 -0.189 0.000 1.111 47 L HN 0.043 nan 8.230 nan 0.000 0.475 48 D N 2.046 122.477 120.400 0.052 0.000 2.084 48 D HA -0.172 4.469 4.640 0.001 0.000 0.194 48 D C 1.478 177.778 176.300 0.000 0.000 0.990 48 D CA 0.997 55.044 54.000 0.078 0.000 0.826 48 D CB 0.267 41.158 40.800 0.152 0.000 0.971 48 D HN 0.425 nan 8.370 nan 0.000 0.453 49 L N -0.479 120.753 121.223 0.016 0.000 4.759 49 L HA -0.250 4.091 4.340 0.001 0.000 0.419 49 L C 1.642 178.077 176.870 -0.724 0.000 1.093 49 L CA 0.871 55.386 54.840 -0.542 0.000 1.037 49 L CB -2.118 39.716 42.059 -0.375 0.000 2.095 49 L HN -0.052 nan 8.230 nan 0.000 0.739 50 S N -0.587 114.912 115.700 -0.335 0.000 2.419 50 S HA -0.130 4.340 4.470 0.001 0.000 0.233 50 S C 1.630 176.101 174.600 -0.214 0.000 1.016 50 S CA 1.497 59.571 58.200 -0.210 0.000 0.974 50 S CB -0.404 62.778 63.200 -0.029 0.000 0.786 50 S HN 0.688 nan 8.310 nan 0.000 0.492 51 F N 1.095 121.021 119.950 -0.040 0.000 2.250 51 F HA -0.024 4.504 4.527 0.001 0.000 0.301 51 F C 1.592 177.361 175.800 -0.050 0.000 1.077 51 F CA 0.272 58.260 58.000 -0.020 0.000 1.348 51 F CB -1.085 37.926 39.000 0.018 0.000 1.040 51 F HN 0.058 nan 8.300 nan 0.000 0.509 52 L N 1.180 122.114 121.223 -0.483 0.000 2.191 52 L HA -0.162 4.179 4.340 0.001 0.000 0.212 52 L C 1.874 178.613 176.870 -0.219 0.000 1.103 52 L CA 1.116 55.708 54.840 -0.413 0.000 0.769 52 L CB -1.462 40.093 42.059 -0.839 0.000 0.908 52 L HN 0.170 nan 8.230 nan 0.000 0.438 53 D N -0.340 119.950 120.400 -0.183 0.000 2.190 53 D HA -0.184 4.456 4.640 0.001 0.000 0.200 53 D C 1.483 177.762 176.300 -0.035 0.000 0.992 53 D CA 1.123 55.060 54.000 -0.106 0.000 0.854 53 D CB 0.000 40.750 40.800 -0.084 0.000 0.936 53 D HN 0.348 nan 8.370 nan 0.000 0.462 54 N N -0.516 118.185 118.700 0.003 0.000 2.220 54 N HA 0.159 4.899 4.740 0.001 0.000 0.195 54 N C 0.178 175.720 175.510 0.053 0.000 1.123 54 N CA -0.146 52.923 53.050 0.031 0.000 0.874 54 N CB 0.757 39.274 38.487 0.049 0.000 0.995 54 N HN 0.141 nan 8.380 nan 0.000 0.498 55 I N 0.934 121.542 120.570 0.063 0.000 2.598 55 I HA -0.016 4.154 4.170 0.001 0.000 0.284 55 I C 1.647 177.800 176.117 0.061 0.000 1.140 55 I CA 0.301 61.649 61.300 0.079 0.000 1.420 55 I CB 0.985 39.045 38.000 0.101 0.000 1.387 55 I HN 0.095 nan 8.210 nan 0.000 0.553 56 R N 4.891 125.423 120.500 0.053 0.000 2.225 56 R HA 0.261 4.601 4.340 0.001 0.000 0.194 56 R C 0.310 176.621 176.300 0.017 0.000 0.949 56 R CA 0.138 56.260 56.100 0.037 0.000 1.088 56 R CB 0.585 30.916 30.300 0.052 0.000 1.106 56 R HN 0.711 nan 8.270 nan 0.000 0.566 57 E N 0.296 120.500 120.200 0.006 0.000 2.314 57 E HA 0.372 4.723 4.350 0.001 0.000 0.272 57 E C -1.808 174.657 176.600 -0.226 0.000 0.884 57 E CA -0.887 55.472 56.400 -0.068 0.000 0.753 57 E CB 2.662 32.382 29.700 0.033 0.000 1.213 57 E HN -0.042 nan 8.360 nan 0.000 0.432 58 V N 3.464 123.251 119.914 -0.212 0.000 2.482 58 V HA 0.143 4.263 4.120 0.001 0.000 0.295 58 V C 1.087 177.053 176.094 -0.213 0.000 1.026 58 V CA -0.146 62.009 62.300 -0.241 0.000 0.856 58 V CB 1.364 33.090 31.823 -0.162 0.000 1.001 58 V HN 1.001 nan 8.190 nan 0.000 0.424 59 T N 1.630 116.024 114.554 -0.266 0.000 2.896 59 T HA 0.078 4.428 4.350 0.001 0.000 0.263 59 T C 1.135 175.783 174.700 -0.086 0.000 1.050 59 T CA 0.960 62.969 62.100 -0.152 0.000 1.140 59 T CB 0.040 68.834 68.868 -0.124 0.000 0.877 59 T HN 0.781 nan 8.240 nan 0.000 0.457 60 G N 0.680 109.410 108.800 -0.116 0.000 2.531 60 G HA2 0.516 4.476 3.960 0.001 0.000 0.253 60 G HA3 0.516 4.476 3.960 0.001 0.000 0.253 60 G C -0.430 174.434 174.900 -0.059 0.000 1.439 60 G CA -0.849 44.186 45.100 -0.109 0.000 1.056 60 G HN 0.690 nan 8.290 nan 0.000 0.555 61 Y N -1.549 118.771 120.300 0.034 0.000 2.300 61 Y HA 0.683 5.233 4.550 0.001 0.000 0.328 61 Y C 0.053 175.949 175.900 -0.008 0.000 1.270 61 Y CA -1.262 56.858 58.100 0.033 0.000 1.352 61 Y CB 0.686 39.208 38.460 0.102 0.000 1.286 61 Y HN 0.193 nan 8.280 nan 0.000 0.536 62 I N 3.707 124.412 120.570 0.225 0.000 2.354 62 I HA 0.274 4.445 4.170 0.001 0.000 0.292 62 I C -1.048 175.176 176.117 0.178 0.000 0.989 62 I CA -0.818 60.550 61.300 0.113 0.000 1.188 62 I CB 1.665 39.617 38.000 -0.079 0.000 1.342 62 I HN 0.602 nan 8.210 nan 0.000 0.457 63 L N 8.638 129.965 121.223 0.173 0.000 2.356 63 L HA 0.637 4.978 4.340 0.001 0.000 0.277 63 L C -1.202 175.665 176.870 -0.006 0.000 0.996 63 L CA -0.060 54.770 54.840 -0.016 0.000 0.822 63 L CB 1.411 43.396 42.059 -0.124 0.000 1.256 63 L HN 0.417 nan 8.230 nan 0.000 0.413 64 I N 4.369 124.900 120.570 -0.064 0.000 2.410 64 I HA 0.520 4.690 4.170 0.001 0.000 0.286 64 I C -0.539 175.536 176.117 -0.070 0.000 1.009 64 I CA -0.300 60.990 61.300 -0.017 0.000 1.111 64 I CB 1.803 39.817 38.000 0.022 0.000 1.262 64 I HN 0.663 nan 8.210 nan 0.000 0.443 65 S N 5.000 120.671 115.700 -0.049 0.000 2.546 65 S HA 0.415 4.885 4.470 0.001 0.000 0.272 65 S C -0.005 174.513 174.600 -0.136 0.000 1.140 65 S CA -0.331 57.834 58.200 -0.060 0.000 0.920 65 S CB 0.684 63.889 63.200 0.008 0.000 1.083 65 S HN 0.837 nan 8.310 nan 0.000 0.476 66 H N -0.071 118.783 119.070 -0.362 0.000 2.862 66 H HA -0.138 4.418 4.556 0.001 0.000 0.290 66 H C -0.242 174.952 175.328 -0.223 0.000 1.211 66 H CA 0.935 56.699 56.048 -0.472 0.000 1.140 66 H CB -1.644 27.318 29.762 -1.334 0.000 1.341 66 H HN 0.446 nan 8.280 nan 0.000 0.392 67 V N 0.992 120.883 119.914 -0.039 0.000 2.394 67 V HA 0.212 4.332 4.120 0.001 0.000 0.282 67 V C 0.423 176.541 176.094 0.041 0.000 1.031 67 V CA -0.058 62.266 62.300 0.040 0.000 0.881 67 V CB 1.700 33.559 31.823 0.061 0.000 0.982 67 V HN 0.197 nan 8.190 nan 0.000 0.451 68 D N 4.081 124.524 120.400 0.073 0.000 2.469 68 D HA 0.169 4.810 4.640 0.001 0.000 0.213 68 D C 0.585 176.939 176.300 0.091 0.000 1.135 68 D CA 0.202 54.251 54.000 0.081 0.000 0.834 68 D CB 0.767 41.621 40.800 0.091 0.000 1.009 68 D HN 0.436 nan 8.370 nan 0.000 0.507 69 V N 1.902 121.862 119.914 0.075 0.000 2.790 69 V HA -0.169 3.951 4.120 0.001 0.000 0.304 69 V C 1.945 178.087 176.094 0.081 0.000 1.142 69 V CA 0.696 63.030 62.300 0.057 0.000 1.282 69 V CB 0.993 32.836 31.823 0.032 0.000 0.877 69 V HN 0.046 nan 8.190 nan 0.000 0.504 70 K N 2.878 123.319 120.400 0.068 0.000 2.026 70 K HA -0.073 4.247 4.320 0.001 0.000 0.208 70 K C 0.970 177.644 176.600 0.123 0.000 1.048 70 K CA 1.370 57.723 56.287 0.109 0.000 0.929 70 K CB 0.100 32.571 32.500 -0.049 0.000 0.713 70 K HN 0.607 nan 8.250 nan 0.000 0.439 71 K N 0.926 121.355 120.400 0.049 0.000 2.604 71 K HA 0.197 4.517 4.320 0.001 0.000 0.247 71 K C -1.612 174.989 176.600 0.000 0.000 0.956 71 K CA -0.438 55.875 56.287 0.045 0.000 0.896 71 K CB 1.826 34.334 32.500 0.013 0.000 1.131 71 K HN -0.205 nan 8.250 nan 0.000 0.440 72 V N 4.780 124.707 119.914 0.022 0.000 2.383 72 V HA 0.335 4.455 4.120 0.001 0.000 0.275 72 V C -0.345 175.715 176.094 -0.058 0.000 1.036 72 V CA -0.732 61.538 62.300 -0.050 0.000 0.889 72 V CB 1.291 33.122 31.823 0.014 0.000 0.985 72 V HN 0.473 nan 8.190 nan 0.000 0.459 73 V N 5.608 125.400 119.914 -0.203 0.000 2.540 73 V HA 0.504 4.624 4.120 0.001 0.000 0.302 73 V C -0.755 175.123 176.094 -0.360 0.000 1.035 73 V CA -0.489 61.714 62.300 -0.161 0.000 0.873 73 V CB 1.855 33.602 31.823 -0.127 0.000 0.992 73 V HN 0.702 nan 8.190 nan 0.000 0.428 74 F N 5.522 125.380 119.950 -0.153 0.000 2.310 74 F HA 0.409 4.937 4.527 0.001 0.000 0.365 74 F C -1.647 174.055 175.800 -0.162 0.000 1.080 74 F CA -2.124 55.780 58.000 -0.161 0.000 1.187 74 F CB 1.284 40.183 39.000 -0.168 0.000 1.465 74 F HN 0.380 nan 8.300 nan 0.000 0.496 75 P HA -0.129 nan 4.420 nan 0.000 0.219 75 P C 0.741 178.020 177.300 -0.036 0.000 1.146 75 P CA 1.569 64.640 63.100 -0.049 0.000 0.808 75 P CB 0.266 31.929 31.700 -0.062 0.000 0.779 76 K N -2.162 118.232 120.400 -0.009 0.000 2.481 76 K HA 0.201 4.521 4.320 0.001 0.000 0.210 76 K C 0.398 176.993 176.600 -0.007 0.000 1.161 76 K CA -0.314 55.967 56.287 -0.010 0.000 1.023 76 K CB 0.300 32.800 32.500 -0.000 0.000 0.971 76 K HN 0.063 nan 8.250 nan 0.000 0.577 77 L N 3.539 124.767 121.223 0.009 0.000 2.660 77 L HA -0.117 4.224 4.340 0.001 0.000 0.272 77 L C 1.111 177.936 176.870 -0.075 0.000 1.194 77 L CA 0.612 55.434 54.840 -0.030 0.000 0.945 77 L CB 0.441 42.455 42.059 -0.075 0.000 1.212 77 L HN 0.346 nan 8.230 nan 0.000 0.490 78 Q N 6.225 125.997 119.800 -0.048 0.000 2.391 78 Q HA 0.267 4.607 4.340 0.001 0.000 0.243 78 Q C 0.314 176.298 176.000 -0.026 0.000 0.874 78 Q CA -0.071 55.707 55.803 -0.041 0.000 0.950 78 Q CB 0.818 29.547 28.738 -0.015 0.000 1.103 78 Q HN 0.677 nan 8.270 nan 0.000 0.544 79 I N -1.202 119.354 120.570 -0.023 0.000 2.769 79 I HA 0.570 4.741 4.170 0.001 0.000 0.298 79 I C -1.780 174.318 176.117 -0.032 0.000 1.128 79 I CA -1.587 59.707 61.300 -0.011 0.000 1.031 79 I CB 2.532 40.542 38.000 0.016 0.000 1.235 79 I HN -0.007 nan 8.210 nan 0.000 0.423 80 I N 6.173 126.734 120.570 -0.015 0.000 2.410 80 I HA 0.440 4.610 4.170 0.001 0.000 0.286 80 I C 0.945 177.066 176.117 0.006 0.000 1.009 80 I CA -0.600 60.686 61.300 -0.024 0.000 1.111 80 I CB 1.934 39.926 38.000 -0.013 0.000 1.262 80 I HN 0.654 nan 8.210 nan 0.000 0.443 81 R N 3.756 124.251 120.500 -0.007 0.000 2.161 81 R HA 0.091 4.431 4.340 0.001 0.000 0.213 81 R C 1.310 177.628 176.300 0.029 0.000 1.055 81 R CA 0.591 56.699 56.100 0.012 0.000 0.996 81 R CB 0.033 30.334 30.300 0.001 0.000 0.901 81 R HN 0.980 nan 8.270 nan 0.000 0.456 82 G N 2.084 110.905 108.800 0.035 0.000 2.395 82 G HA2 -0.320 3.640 3.960 0.001 0.000 0.300 82 G HA3 -0.320 3.640 3.960 0.001 0.000 0.300 82 G C 0.589 175.529 174.900 0.067 0.000 0.998 82 G CA 0.504 45.648 45.100 0.074 0.000 1.046 82 G HN 0.367 nan 8.290 nan 0.000 0.513 83 R N -0.710 119.815 120.500 0.042 0.000 2.276 83 R HA 0.038 4.378 4.340 0.001 0.000 0.203 83 R C 0.463 176.797 176.300 0.055 0.000 1.017 83 R CA 1.334 57.457 56.100 0.039 0.000 1.010 83 R CB 0.166 30.479 30.300 0.022 0.000 0.900 83 R HN 0.483 nan 8.270 nan 0.000 0.469 84 T N 0.732 115.331 114.554 0.075 0.000 2.848 84 T HA 0.537 4.888 4.350 0.001 0.000 0.285 84 T C -0.296 174.574 174.700 0.283 0.000 0.995 84 T CA -0.644 61.533 62.100 0.128 0.000 0.970 84 T CB 2.236 71.145 68.868 0.069 0.000 0.976 84 T HN -0.077 nan 8.240 nan 0.000 0.441 85 L N 2.088 123.492 121.223 0.301 0.000 2.323 85 L HA 0.697 5.038 4.340 0.001 0.000 0.265 85 L C -0.891 176.112 176.870 0.222 0.000 1.012 85 L CA -1.309 53.718 54.840 0.311 0.000 0.820 85 L CB 1.976 44.097 42.059 0.103 0.000 1.334 85 L HN 0.650 nan 8.230 nan 0.000 0.427 86 F N 0.626 120.400 119.950 -0.293 0.000 2.420 86 F HA 0.607 5.135 4.527 0.001 0.000 0.342 86 F C -0.179 175.430 175.800 -0.319 0.000 1.113 86 F CA 0.066 57.697 58.000 -0.614 0.000 1.059 86 F CB 1.558 39.787 39.000 -1.285 0.000 1.128 86 F HN 0.343 nan 8.300 nan 0.000 0.475 87 S N 5.579 120.609 115.700 -1.117 0.000 2.599 87 S HA 0.528 4.998 4.470 0.001 0.000 0.287 87 S C 0.410 174.383 174.600 -1.046 0.000 1.105 87 S CA -0.747 56.940 58.200 -0.855 0.000 0.899 87 S CB 1.977 64.919 63.200 -0.431 0.000 1.100 87 S HN 0.788 nan 8.310 nan 0.000 0.482 88 L N 0.437 121.270 121.223 -0.649 0.000 2.388 88 L HA 0.356 4.696 4.340 0.001 0.000 0.209 88 L C 0.922 177.581 176.870 -0.352 0.000 1.061 88 L CA 0.390 54.937 54.840 -0.488 0.000 0.834 88 L CB 0.279 42.147 42.059 -0.318 0.000 1.029 88 L HN 0.523 nan 8.230 nan 0.000 0.473 89 S N -1.829 113.715 115.700 -0.261 0.000 2.627 89 S HA 0.275 4.746 4.470 0.001 0.000 0.283 89 S C 0.503 175.033 174.600 -0.116 0.000 1.127 89 S CA -0.519 57.582 58.200 -0.165 0.000 0.863 89 S CB 2.179 65.315 63.200 -0.106 0.000 1.121 89 S HN -0.085 nan 8.310 nan 0.000 0.479 90 V N 2.254 122.149 119.914 -0.031 0.000 2.282 90 V HA 0.019 4.140 4.120 0.001 0.000 0.249 90 V C 1.334 177.396 176.094 -0.053 0.000 1.057 90 V CA 2.906 65.195 62.300 -0.018 0.000 1.032 90 V CB -1.072 30.767 31.823 0.026 0.000 0.645 90 V HN 1.003 nan 8.190 nan 0.000 0.447 91 E N 0.095 120.266 120.200 -0.049 0.000 2.408 91 E HA 0.466 4.816 4.350 0.001 0.000 0.259 91 E C 0.268 176.813 176.600 -0.092 0.000 1.110 91 E CA 0.159 56.522 56.400 -0.061 0.000 0.929 91 E CB 0.119 29.793 29.700 -0.043 0.000 0.971 91 E HN 0.639 nan 8.360 nan 0.000 0.438 92 E N -0.707 119.435 120.200 -0.098 0.000 6.536 92 E HA -0.076 4.275 4.350 0.001 0.000 0.552 92 E C -0.826 175.657 176.600 -0.195 0.000 1.380 92 E CA 0.414 56.740 56.400 -0.124 0.000 2.972 92 E CB -1.211 28.416 29.700 -0.122 0.000 0.817 92 E HN 0.746 nan 8.360 nan 0.000 0.262 93 E N 1.156 121.201 120.200 -0.258 0.000 2.415 93 E HA 0.276 4.627 4.350 0.001 0.000 0.262 93 E C -0.183 176.029 176.600 -0.647 0.000 1.038 93 E CA 0.434 56.565 56.400 -0.447 0.000 0.921 93 E CB 0.383 29.729 29.700 -0.590 0.000 0.950 93 E HN 0.192 nan 8.360 nan 0.000 0.438 94 K N 1.922 121.985 120.400 -0.561 0.000 2.244 94 K HA 0.368 4.689 4.320 0.001 0.000 0.260 94 K C -1.091 175.238 176.600 -0.451 0.000 0.951 94 K CA -0.675 55.339 56.287 -0.454 0.000 0.826 94 K CB 1.062 33.435 32.500 -0.212 0.000 1.108 94 K HN 0.379 nan 8.250 nan 0.000 0.433 95 Y N 0.346 120.606 120.300 -0.068 0.000 2.341 95 Y HA 0.277 4.828 4.550 0.001 0.000 0.337 95 Y C 0.949 176.878 175.900 0.048 0.000 1.014 95 Y CA -0.649 57.447 58.100 -0.006 0.000 1.111 95 Y CB 1.867 40.337 38.460 0.017 0.000 1.194 95 Y HN 0.794 nan 8.280 nan 0.000 0.462 96 A N 3.440 126.388 122.820 0.212 0.000 2.072 96 A HA 0.200 4.521 4.320 0.001 0.000 0.216 96 A C 0.131 177.816 177.584 0.167 0.000 1.156 96 A CA 0.621 52.776 52.037 0.197 0.000 0.701 96 A CB 0.193 19.269 19.000 0.127 0.000 0.816 96 A HN 0.668 nan 8.150 nan 0.000 0.458 97 L N -1.057 120.229 121.223 0.105 0.000 2.505 97 L HA 0.658 4.998 4.340 0.001 0.000 0.266 97 L C -2.126 174.665 176.870 -0.131 0.000 0.954 97 L CA -0.810 54.006 54.840 -0.040 0.000 0.852 97 L CB 2.048 44.029 42.059 -0.129 0.000 1.282 97 L HN 0.182 nan 8.230 nan 0.000 0.403 98 F N 5.864 125.555 119.950 -0.432 0.000 2.585 98 F HA 0.565 5.093 4.527 0.001 0.000 0.319 98 F C -1.071 174.410 175.800 -0.531 0.000 1.165 98 F CA -0.633 56.993 58.000 -0.624 0.000 0.949 98 F CB 1.821 40.446 39.000 -0.625 0.000 1.218 98 F HN 0.174 nan 8.300 nan 0.000 0.453 99 V N 3.052 122.377 119.914 -0.982 0.000 2.555 99 V HA 0.952 5.073 4.120 0.001 0.000 0.302 99 V C -0.914 174.756 176.094 -0.707 0.000 1.038 99 V CA -0.079 61.859 62.300 -0.603 0.000 0.887 99 V CB 1.326 32.990 31.823 -0.266 0.000 0.991 99 V HN 0.925 nan 8.190 nan 0.000 0.434 100 T N 3.033 117.319 114.554 -0.447 0.000 2.889 100 T HA 0.537 4.887 4.350 0.001 0.000 0.315 100 T C -0.955 173.624 174.700 -0.200 0.000 1.291 100 T CA -0.202 61.676 62.100 -0.370 0.000 1.028 100 T CB 0.915 69.639 68.868 -0.240 0.000 1.235 100 T HN 1.151 nan 8.240 nan 0.000 0.491 101 Y N 0.754 120.865 120.300 -0.315 0.000 3.001 101 Y HA -0.069 4.481 4.550 0.001 0.000 0.207 101 Y C 0.556 176.169 175.900 -0.478 0.000 1.231 101 Y CA 1.103 58.940 58.100 -0.439 0.000 1.024 101 Y CB -1.361 36.730 38.460 -0.615 0.000 1.267 101 Y HN 0.482 nan 8.280 nan 0.000 0.501 102 S N -0.710 114.849 115.700 -0.235 0.000 2.548 102 S HA 0.572 5.042 4.470 0.001 0.000 0.286 102 S C 0.555 175.101 174.600 -0.091 0.000 1.098 102 S CA -1.053 57.057 58.200 -0.150 0.000 0.930 102 S CB 1.559 64.690 63.200 -0.115 0.000 1.070 102 S HN 0.305 nan 8.310 nan 0.000 0.480 103 K N 2.158 122.546 120.400 -0.021 0.000 2.399 103 K HA 0.218 4.539 4.320 0.001 0.000 0.204 103 K C 0.585 177.216 176.600 0.051 0.000 1.023 103 K CA -0.153 56.146 56.287 0.020 0.000 1.127 103 K CB 0.264 32.803 32.500 0.065 0.000 0.856 103 K HN 0.607 nan 8.250 nan 0.000 0.514 104 M N -0.301 119.335 119.600 0.060 0.000 2.248 104 M HA 0.019 4.500 4.480 0.001 0.000 0.337 104 M C 0.009 176.387 176.300 0.129 0.000 1.121 104 M CA 0.755 56.136 55.300 0.136 0.000 1.155 104 M CB 0.105 32.776 32.600 0.118 0.000 1.514 104 M HN 0.013 nan 8.290 nan 0.000 0.452 105 Y N 1.902 122.228 120.300 0.044 0.000 2.220 105 Y HA 0.005 4.555 4.550 0.001 0.000 0.291 105 Y C 1.534 177.480 175.900 0.077 0.000 1.129 105 Y CA 1.790 59.920 58.100 0.050 0.000 1.161 105 Y CB -0.045 38.444 38.460 0.049 0.000 0.997 105 Y HN 0.838 nan 8.280 nan 0.000 0.522 106 T N -2.264 112.442 114.554 0.254 0.000 2.916 106 T HA 0.485 4.835 4.350 0.001 0.000 0.305 106 T C -1.275 173.547 174.700 0.204 0.000 1.119 106 T CA -0.793 61.444 62.100 0.228 0.000 1.008 106 T CB 1.458 70.467 68.868 0.235 0.000 1.129 106 T HN 0.009 nan 8.240 nan 0.000 0.480 107 L N 2.396 123.770 121.223 0.252 0.000 2.295 107 L HA 0.497 4.837 4.340 0.001 0.000 0.281 107 L C -0.471 176.612 176.870 0.355 0.000 1.018 107 L CA -0.527 54.490 54.840 0.295 0.000 0.841 107 L CB 0.927 43.207 42.059 0.370 0.000 1.218 107 L HN 0.849 nan 8.230 nan 0.000 0.424 108 E N 6.197 126.533 120.200 0.226 0.000 2.055 108 E HA 0.297 4.647 4.350 0.001 0.000 0.274 108 E C -0.360 176.181 176.600 -0.098 0.000 0.949 108 E CA -0.182 56.301 56.400 0.137 0.000 0.775 108 E CB 1.477 31.222 29.700 0.075 0.000 1.097 108 E HN 0.555 nan 8.360 nan 0.000 0.404 109 I N 4.693 124.883 120.570 -0.634 0.000 3.010 109 I HA 0.199 4.369 4.170 0.001 0.000 0.330 109 I C -2.170 173.108 176.117 -1.398 0.000 1.334 109 I CA -1.924 58.833 61.300 -0.905 0.000 0.945 109 I CB -0.108 37.347 38.000 -0.908 0.000 2.027 109 I HN 0.200 nan 8.210 nan 0.000 0.564 110 P HA 0.020 nan 4.420 nan 0.000 0.272 110 P C 0.423 177.498 177.300 -0.375 0.000 1.254 110 P CA 0.312 63.028 63.100 -0.641 0.000 0.795 110 P CB 0.735 32.301 31.700 -0.224 0.000 1.022 111 D N -3.031 117.269 120.400 -0.167 0.000 2.880 111 D HA -0.183 4.457 4.640 0.001 0.000 0.198 111 D C -0.111 176.123 176.300 -0.110 0.000 1.059 111 D CA 0.772 54.712 54.000 -0.099 0.000 1.019 111 D CB -1.179 39.567 40.800 -0.091 0.000 1.112 111 D HN 0.291 nan 8.370 nan 0.000 0.424 112 L N 1.139 122.246 121.223 -0.194 0.000 2.418 112 L HA 0.276 4.616 4.340 0.001 0.000 0.274 112 L C 1.388 178.244 176.870 -0.023 0.000 1.135 112 L CA 0.530 55.292 54.840 -0.129 0.000 0.870 112 L CB 0.503 42.443 42.059 -0.199 0.000 1.154 112 L HN 0.009 nan 8.230 nan 0.000 0.462 113 R N 2.145 122.642 120.500 -0.006 0.000 2.142 113 R HA 0.260 4.600 4.340 0.001 0.000 0.204 113 R C -0.398 175.917 176.300 0.025 0.000 1.059 113 R CA 0.031 56.138 56.100 0.010 0.000 1.055 113 R CB 0.448 30.759 30.300 0.018 0.000 0.976 113 R HN 0.613 nan 8.270 nan 0.000 0.483 114 D N -0.093 120.330 120.400 0.038 0.000 2.990 114 D HA 0.220 4.861 4.640 0.001 0.000 0.227 114 D C -1.539 174.802 176.300 0.068 0.000 1.249 114 D CA -0.360 53.672 54.000 0.055 0.000 0.891 114 D CB 2.894 43.724 40.800 0.049 0.000 1.647 114 D HN -0.269 nan 8.370 nan 0.000 0.530 115 V N 5.456 125.427 119.914 0.094 0.000 2.304 115 V HA 0.207 4.327 4.120 0.001 0.000 0.278 115 V C 1.509 177.651 176.094 0.079 0.000 1.018 115 V CA -0.346 62.011 62.300 0.095 0.000 0.814 115 V CB 1.286 33.193 31.823 0.140 0.000 1.021 115 V HN 0.564 nan 8.190 nan 0.000 0.440 116 L N 3.105 124.365 121.223 0.062 0.000 2.156 116 L HA 0.152 4.493 4.340 0.001 0.000 0.208 116 L C 1.072 177.975 176.870 0.054 0.000 1.095 116 L CA 1.101 55.975 54.840 0.056 0.000 0.770 116 L CB 0.033 42.121 42.059 0.048 0.000 0.914 116 L HN 0.688 nan 8.230 nan 0.000 0.439 117 N N -0.766 117.967 118.700 0.055 0.000 2.367 117 N HA 0.412 5.152 4.740 0.001 0.000 0.278 117 N C -0.698 174.843 175.510 0.053 0.000 1.117 117 N CA 0.482 53.561 53.050 0.048 0.000 0.867 117 N CB 2.236 40.748 38.487 0.042 0.000 1.649 117 N HN 0.115 nan 8.380 nan 0.000 0.479 118 G N 1.640 110.462 108.800 0.036 0.000 2.663 118 G HA2 -0.139 3.821 3.960 0.001 0.000 0.686 118 G HA3 -0.139 3.821 3.960 0.001 0.000 0.686 118 G C -1.392 173.530 174.900 0.038 0.000 1.288 118 G CA -0.755 44.360 45.100 0.024 0.000 0.836 118 G HN 0.641 nan 8.290 nan 0.000 0.584 119 Q N -1.601 118.212 119.800 0.021 0.000 2.252 119 Q HA 0.747 5.087 4.340 0.001 0.000 0.256 119 Q C -0.167 175.955 176.000 0.203 0.000 1.020 119 Q CA -1.013 54.834 55.803 0.072 0.000 0.913 119 Q CB 2.418 31.154 28.738 -0.004 0.000 1.286 119 Q HN 0.602 nan 8.270 nan 0.000 0.480 120 V N 0.195 120.167 119.914 0.096 0.000 2.513 120 V HA 0.802 4.922 4.120 0.001 0.000 0.299 120 V C -0.115 175.869 176.094 -0.184 0.000 1.035 120 V CA -0.509 61.684 62.300 -0.178 0.000 0.889 120 V CB 1.624 33.079 31.823 -0.613 0.000 0.988 120 V HN 0.828 nan 8.190 nan 0.000 0.440 121 G N 3.099 111.597 108.800 -0.503 0.000 2.701 121 G HA2 0.734 4.694 3.960 0.001 0.000 0.300 121 G HA3 0.734 4.694 3.960 0.001 0.000 0.300 121 G C -1.685 172.519 174.900 -1.161 0.000 1.410 121 G CA -0.367 44.404 45.100 -0.548 0.000 1.014 121 G HN 0.365 nan 8.290 nan 0.000 0.509 122 F N 0.589 120.155 119.950 -0.639 0.000 2.518 122 F HA 0.537 5.064 4.527 0.001 0.000 0.323 122 F C -0.168 175.157 175.800 -0.792 0.000 1.129 122 F CA -0.719 56.873 58.000 -0.679 0.000 0.920 122 F CB 2.661 41.379 39.000 -0.469 0.000 1.160 122 F HN 0.395 nan 8.300 nan 0.000 0.440 123 H N 2.327 121.097 119.070 -0.500 0.000 2.840 123 H HA 0.361 4.918 4.556 0.001 0.000 0.340 123 H C -0.483 174.517 175.328 -0.547 0.000 1.004 123 H CA -1.178 54.624 56.048 -0.409 0.000 1.288 123 H CB 1.153 30.744 29.762 -0.285 0.000 1.607 123 H HN 0.521 nan 8.280 nan 0.000 0.522 124 N N 2.267 120.687 118.700 -0.467 0.000 2.740 124 N HA -0.224 4.517 4.740 0.001 0.000 0.248 124 N C -1.178 173.725 175.510 -1.011 0.000 1.062 124 N CA 0.969 53.569 53.050 -0.750 0.000 0.704 124 N CB -1.452 36.489 38.487 -0.910 0.000 0.968 124 N HN 0.851 nan 8.380 nan 0.000 0.547 125 N N -0.335 117.877 118.700 -0.813 0.000 2.483 125 N HA 0.306 5.046 4.740 0.001 0.000 0.267 125 N C -0.496 174.639 175.510 -0.624 0.000 0.998 125 N CA -0.625 52.004 53.050 -0.701 0.000 0.918 125 N CB 0.827 39.090 38.487 -0.374 0.000 1.215 125 N HN 0.030 nan 8.380 nan 0.000 0.500 126 Y N 1.251 121.452 120.300 -0.165 0.000 2.240 126 Y HA 0.095 4.646 4.550 0.001 0.000 0.341 126 Y C 1.419 177.192 175.900 -0.212 0.000 1.326 126 Y CA -0.413 57.585 58.100 -0.170 0.000 1.569 126 Y CB 0.200 38.572 38.460 -0.148 0.000 1.426 126 Y HN 0.536 nan 8.280 nan 0.000 0.587 127 N N -2.043 116.600 118.700 -0.096 0.000 2.853 127 N HA -0.276 4.465 4.740 0.001 0.000 0.239 127 N C -0.494 174.877 175.510 -0.233 0.000 0.967 127 N CA 0.998 53.857 53.050 -0.320 0.000 0.973 127 N CB -1.388 36.671 38.487 -0.713 0.000 1.104 127 N HN 0.558 nan 8.380 nan 0.000 0.602 128 L N 0.701 121.830 121.223 -0.156 0.000 2.380 128 L HA 0.290 4.631 4.340 0.001 0.000 0.273 128 L C -0.081 176.706 176.870 -0.139 0.000 1.138 128 L CA -0.016 54.760 54.840 -0.106 0.000 0.832 128 L CB 0.692 42.685 42.059 -0.110 0.000 1.124 128 L HN 0.271 nan 8.230 nan 0.000 0.454 129 c N 1.662 120.206 118.600 -0.094 0.000 2.994 129 c HA 0.483 5.053 4.570 0.001 0.000 0.304 129 c C 0.211 174.221 174.090 -0.133 0.000 1.273 129 c CA -0.403 55.782 56.329 -0.240 0.000 1.537 129 c CB 1.283 43.536 42.510 -0.428 0.000 2.001 129 c HN 1.091 nan 8.230 nan 0.000 0.471 130 H N -0.220 118.792 119.070 -0.097 0.000 3.428 130 H HA -0.154 4.402 4.556 0.001 0.000 0.204 130 H C 1.125 176.322 175.328 -0.218 0.000 1.078 130 H CA 1.178 57.151 56.048 -0.126 0.000 1.183 130 H CB -1.116 28.599 29.762 -0.078 0.000 1.132 130 H HN 0.533 nan 8.280 nan 0.000 0.323 131 M N -0.015 119.483 119.600 -0.170 0.000 2.334 131 M HA 0.079 4.560 4.480 0.001 0.000 0.266 131 M C 1.987 178.206 176.300 -0.135 0.000 1.082 131 M CA 1.453 56.613 55.300 -0.233 0.000 1.141 131 M CB -0.353 31.905 32.600 -0.569 0.000 1.380 131 M HN 0.253 nan 8.290 nan 0.000 0.440 132 R N 0.041 120.449 120.500 -0.153 0.000 2.189 132 R HA -0.023 4.318 4.340 0.001 0.000 0.218 132 R C 2.121 178.375 176.300 -0.077 0.000 1.074 132 R CA 1.620 57.666 56.100 -0.090 0.000 0.991 132 R CB -1.802 28.437 30.300 -0.103 0.000 0.883 132 R HN 0.509 nan 8.270 nan 0.000 0.457 133 T N -1.735 112.752 114.554 -0.111 0.000 3.067 133 T HA 0.173 4.523 4.350 0.001 0.000 0.261 133 T C 0.808 175.401 174.700 -0.177 0.000 1.110 133 T CA 0.077 62.117 62.100 -0.099 0.000 1.113 133 T CB -0.094 68.740 68.868 -0.057 0.000 0.917 133 T HN 0.044 nan 8.240 nan 0.000 0.499 134 I N 2.412 122.783 120.570 -0.331 0.000 2.474 134 I HA 0.192 4.362 4.170 0.001 0.000 0.287 134 I C 0.144 175.958 176.117 -0.504 0.000 1.048 134 I CA -0.702 60.224 61.300 -0.622 0.000 1.383 134 I CB 1.155 38.425 38.000 -1.217 0.000 1.412 134 I HN 0.135 nan 8.210 nan 0.000 0.531 135 Q N 5.883 125.429 119.800 -0.424 0.000 2.423 135 Q HA 0.028 4.369 4.340 0.001 0.000 0.235 135 Q C -0.029 175.781 176.000 -0.316 0.000 1.100 135 Q CA 0.156 55.815 55.803 -0.240 0.000 0.908 135 Q CB 0.500 29.174 28.738 -0.107 0.000 1.312 135 Q HN 0.614 nan 8.270 nan 0.000 0.497 136 W N 0.729 121.991 121.300 -0.063 0.000 2.678 136 W HA -0.078 4.582 4.660 0.001 0.000 0.256 136 W C 1.861 178.371 176.519 -0.014 0.000 1.280 136 W CA 0.494 57.824 57.345 -0.024 0.000 1.345 136 W CB 0.120 29.602 29.460 0.036 0.000 1.118 136 W HN 0.487 nan 8.180 nan 0.000 0.629 137 S N 0.425 116.224 115.700 0.164 0.000 2.440 137 S HA -0.281 4.189 4.470 0.001 0.000 0.238 137 S C 1.543 176.167 174.600 0.039 0.000 1.010 137 S CA 1.768 60.027 58.200 0.100 0.000 0.972 137 S CB -0.343 62.903 63.200 0.076 0.000 0.774 137 S HN 0.416 nan 8.310 nan 0.000 0.501 138 E N 1.473 121.643 120.200 -0.051 0.000 2.230 138 E HA 0.099 4.449 4.350 0.001 0.000 0.192 138 E C 1.599 178.143 176.600 -0.093 0.000 0.987 138 E CA 0.728 57.041 56.400 -0.145 0.000 0.841 138 E CB -0.264 29.160 29.700 -0.459 0.000 0.783 138 E HN 0.615 nan 8.360 nan 0.000 0.481 139 I N -0.206 120.352 120.570 -0.020 0.000 3.081 139 I HA 0.101 4.271 4.170 0.001 0.000 0.274 139 I C 0.053 176.252 176.117 0.137 0.000 1.178 139 I CA -0.068 61.272 61.300 0.067 0.000 1.460 139 I CB 0.810 38.901 38.000 0.150 0.000 1.137 139 I HN -0.125 nan 8.210 nan 0.000 0.443 140 V N 1.638 121.653 119.914 0.167 0.000 2.439 140 V HA 0.097 4.218 4.120 0.001 0.000 0.282 140 V C 1.301 177.455 176.094 0.099 0.000 1.039 140 V CA 0.024 62.413 62.300 0.148 0.000 0.913 140 V CB 1.582 33.509 31.823 0.174 0.000 0.983 140 V HN 0.366 nan 8.190 nan 0.000 0.460 141 S N 4.985 120.733 115.700 0.080 0.000 2.354 141 S HA -0.091 4.379 4.470 0.001 0.000 0.219 141 S C 0.592 175.228 174.600 0.059 0.000 1.035 141 S CA 1.051 59.290 58.200 0.064 0.000 1.037 141 S CB -0.281 62.954 63.200 0.058 0.000 0.956 141 S HN 0.801 nan 8.310 nan 0.000 0.428 142 N N -0.743 117.990 118.700 0.055 0.000 2.494 142 N HA 0.689 5.429 4.740 0.001 0.000 0.270 142 N C -0.507 175.028 175.510 0.041 0.000 1.285 142 N CA -0.088 52.990 53.050 0.047 0.000 0.812 142 N CB 2.156 40.665 38.487 0.037 0.000 1.557 142 N HN 0.725 nan 8.380 nan 0.000 0.487 154 A N 2.289 125.063 122.820 -0.076 0.000 2.151 154 A HA 0.091 4.411 4.320 0.001 0.000 0.271 154 A C -0.493 177.073 177.584 -0.030 0.000 1.348 154 A CA 1.236 53.246 52.037 -0.045 0.000 0.763 154 A CB -1.397 17.591 19.000 -0.022 0.000 1.117 154 A HN 0.672 nan 8.150 nan 0.000 0.342 155 P HA 0.095 nan 4.420 nan 0.000 0.233 155 P C 0.561 177.855 177.300 -0.010 0.000 1.167 155 P CA 0.918 63.987 63.100 -0.052 0.000 0.770 155 P CB 0.064 31.695 31.700 -0.116 0.000 0.837 156 E N -2.345 117.842 120.200 -0.022 0.000 4.067 156 E HA -0.231 4.120 4.350 0.001 0.000 0.346 156 E C 0.712 177.282 176.600 -0.049 0.000 0.613 156 E CA 0.985 57.367 56.400 -0.030 0.000 1.252 156 E CB -1.269 28.413 29.700 -0.029 0.000 1.731 156 E HN 0.345 nan 8.360 nan 0.000 0.406 157 R N 1.094 121.555 120.500 -0.064 0.000 2.387 157 R HA 0.455 4.796 4.340 0.001 0.000 0.314 157 R C 0.567 176.835 176.300 -0.052 0.000 0.958 157 R CA 0.794 56.856 56.100 -0.063 0.000 0.846 157 R CB 0.880 31.112 30.300 -0.113 0.000 1.147 157 R HN 0.076 nan 8.270 nan 0.000 0.447 158 E N 1.452 121.636 120.200 -0.026 0.000 3.827 158 E HA -0.294 4.056 4.350 0.001 0.000 0.282 158 E C -0.544 176.027 176.600 -0.047 0.000 1.568 158 E CA 1.365 57.754 56.400 -0.019 0.000 2.386 158 E CB -1.122 28.585 29.700 0.013 0.000 2.038 158 E HN 0.908 nan 8.360 nan 0.000 0.415 159 c N 0.723 119.297 118.600 -0.043 0.000 3.086 159 c HA 0.429 5.000 4.570 0.001 0.000 0.377 159 c C -2.681 171.383 174.090 -0.044 0.000 1.083 159 c CA -0.525 55.752 56.329 -0.087 0.000 1.337 159 c CB 0.223 42.616 42.510 -0.194 0.000 1.694 159 c HN 0.928 nan 8.230 nan 0.000 0.477 160 P HA 0.063 nan 4.420 nan 0.000 0.261 160 P C -0.118 177.284 177.300 0.171 0.000 1.165 160 P CA 0.561 63.737 63.100 0.128 0.000 0.759 160 P CB 0.599 32.420 31.700 0.201 0.000 0.772 161 K N 1.907 122.370 120.400 0.104 0.000 2.440 161 K HA 0.060 4.380 4.320 0.001 0.000 0.270 161 K C 0.374 177.054 176.600 0.133 0.000 0.980 161 K CA 0.097 56.439 56.287 0.091 0.000 0.953 161 K CB -0.025 32.498 32.500 0.038 0.000 0.925 161 K HN 0.470 nan 8.250 nan 0.000 0.497 162 c N 2.177 120.844 118.600 0.112 0.000 2.727 162 c HA -0.001 4.569 4.570 0.001 0.000 0.401 162 c C 1.043 175.180 174.090 0.079 0.000 1.294 162 c CA -0.573 55.804 56.329 0.080 0.000 2.134 162 c CB -0.475 42.068 42.510 0.055 0.000 2.724 162 c HN 0.691 nan 8.230 nan 0.000 0.677 163 H N 1.721 120.786 119.070 -0.008 0.000 2.998 163 H HA -0.054 4.502 4.556 0.001 0.000 0.353 163 H C 1.030 176.355 175.328 -0.005 0.000 1.099 163 H CA 0.464 56.509 56.048 -0.004 0.000 1.393 163 H CB 0.802 30.560 29.762 -0.006 0.000 1.343 163 H HN 0.692 nan 8.280 nan 0.000 0.609 164 E N 2.431 122.261 120.200 -0.617 0.000 2.118 164 E HA -0.201 4.149 4.350 0.001 0.000 0.195 164 E C 2.124 178.561 176.600 -0.271 0.000 0.992 164 E CA 1.133 57.296 56.400 -0.395 0.000 0.804 164 E CB -0.591 28.867 29.700 -0.402 0.000 0.741 164 E HN 0.608 nan 8.360 nan 0.000 0.458 165 S N 0.366 115.889 115.700 -0.295 0.000 2.380 165 S HA -0.168 4.303 4.470 0.001 0.000 0.229 165 S C 1.065 175.690 174.600 0.043 0.000 1.043 165 S CA 1.314 59.547 58.200 0.054 0.000 1.038 165 S CB -0.225 63.245 63.200 0.450 0.000 0.872 165 S HN 0.408 nan 8.310 nan 0.000 0.456 166 c N 1.187 119.817 118.600 0.050 0.000 2.493 166 c HA 0.739 5.309 4.570 0.001 0.000 0.326 166 c C 1.932 176.017 174.090 -0.007 0.000 1.200 166 c CA -0.312 56.042 56.329 0.042 0.000 1.739 166 c CB 0.666 43.230 42.510 0.090 0.000 2.300 166 c HN 0.557 nan 8.230 nan 0.000 0.500 167 T N -1.096 113.436 114.554 -0.037 0.000 2.857 167 T HA -0.101 4.249 4.350 0.001 0.000 0.266 167 T C 0.988 175.497 174.700 -0.319 0.000 1.048 167 T CA 1.554 63.544 62.100 -0.184 0.000 1.139 167 T CB -0.373 68.351 68.868 -0.240 0.000 0.874 167 T HN 0.879 nan 8.240 nan 0.000 0.455 168 H N 1.147 120.166 119.070 -0.084 0.000 4.373 168 H HA 0.700 5.257 4.556 0.001 0.000 0.135 168 H C 1.352 176.666 175.328 -0.023 0.000 1.480 168 H CA 0.311 56.325 56.048 -0.056 0.000 1.286 168 H CB -0.485 29.249 29.762 -0.048 0.000 1.282 168 H HN 0.511 nan 8.280 nan 0.000 0.482 169 G N -1.137 107.753 108.800 0.149 0.000 2.932 169 G HA2 0.521 4.482 3.960 0.001 0.000 0.283 169 G HA3 0.521 4.482 3.960 0.001 0.000 0.283 169 G C -0.829 174.049 174.900 -0.036 0.000 1.336 169 G CA -0.217 44.889 45.100 0.012 0.000 1.056 169 G HN 0.871 nan 8.290 nan 0.000 0.522 170 c N -3.797 114.737 118.600 -0.110 0.000 3.171 170 c HA 0.644 5.215 4.570 0.001 0.000 0.308 170 c C 0.444 174.387 174.090 -0.245 0.000 1.334 170 c CA -1.108 55.145 56.329 -0.126 0.000 1.473 170 c CB 0.538 43.010 42.510 -0.064 0.000 1.866 170 c HN 0.824 nan 8.230 nan 0.000 0.465 171 W N 1.393 122.640 121.300 -0.089 0.000 2.770 171 W HA 0.456 5.117 4.660 0.001 0.000 0.256 171 W C 1.366 177.809 176.519 -0.128 0.000 1.291 171 W CA 1.514 58.818 57.345 -0.068 0.000 1.396 171 W CB 0.115 29.548 29.460 -0.045 0.000 1.114 171 W HN 1.284 nan 8.180 nan 0.000 0.637 172 G N -1.497 107.218 108.800 -0.141 0.000 2.348 172 G HA2 0.309 4.269 3.960 0.001 0.000 0.296 172 G HA3 0.309 4.269 3.960 0.001 0.000 0.296 172 G C 0.225 174.931 174.900 -0.324 0.000 1.258 172 G CA 0.001 44.910 45.100 -0.318 0.000 0.868 172 G HN -0.132 nan 8.290 nan 0.000 0.488 173 E N -0.740 119.357 120.200 -0.171 0.000 2.158 173 E HA 0.364 4.714 4.350 0.001 0.000 0.191 173 E C 1.687 178.250 176.600 -0.062 0.000 0.982 173 E CA 1.349 57.694 56.400 -0.092 0.000 0.823 173 E CB -0.707 28.983 29.700 -0.017 0.000 0.766 173 E HN 1.639 nan 8.360 nan 0.000 0.468 174 G N 0.721 109.477 108.800 -0.073 0.000 2.690 174 G HA2 0.248 4.208 3.960 0.001 0.000 0.239 174 G HA3 0.248 4.208 3.960 0.001 0.000 0.239 174 G C -1.585 173.236 174.900 -0.132 0.000 1.233 174 G CA -0.059 44.972 45.100 -0.116 0.000 0.847 174 G HN 0.166 nan 8.290 nan 0.000 0.588 175 P HA 0.070 nan 4.420 nan 0.000 0.226 175 P C 1.980 179.267 177.300 -0.022 0.000 1.153 175 P CA 1.837 64.865 63.100 -0.119 0.000 0.777 175 P CB 0.139 31.725 31.700 -0.191 0.000 0.794 176 K N -0.023 120.354 120.400 -0.038 0.000 2.211 176 K HA -0.097 4.224 4.320 0.001 0.000 0.203 176 K C 1.756 178.379 176.600 0.038 0.000 1.050 176 K CA 1.428 57.713 56.287 -0.003 0.000 0.945 176 K CB -1.578 30.909 32.500 -0.021 0.000 0.732 176 K HN 0.128 nan 8.250 nan 0.000 0.451 177 N N -0.094 118.633 118.700 0.044 0.000 2.467 177 N HA 0.041 4.782 4.740 0.001 0.000 0.184 177 N C -0.218 175.401 175.510 0.183 0.000 1.106 177 N CA 0.058 53.177 53.050 0.115 0.000 0.892 177 N CB -0.628 37.895 38.487 0.061 0.000 0.969 177 N HN 0.468 nan 8.380 nan 0.000 0.454 178 c N 1.345 120.025 118.600 0.134 0.000 2.652 178 c HA 0.119 4.690 4.570 0.001 0.000 0.412 178 c C 1.175 175.389 174.090 0.207 0.000 1.294 178 c CA -0.839 55.573 56.329 0.139 0.000 2.127 178 c CB 0.200 42.782 42.510 0.120 0.000 2.691 178 c HN 0.380 nan 8.230 nan 0.000 0.615 179 Q N 2.508 122.405 119.800 0.162 0.000 2.297 179 Q HA 0.199 4.539 4.340 0.001 0.000 0.267 179 Q C -0.374 175.834 176.000 0.347 0.000 1.006 179 Q CA 0.481 56.395 55.803 0.186 0.000 0.896 179 Q CB 0.448 29.147 28.738 -0.065 0.000 1.186 179 Q HN 0.658 nan 8.270 nan 0.000 0.392 180 K N 2.771 123.339 120.400 0.280 0.000 2.123 180 K HA 0.504 4.824 4.320 0.001 0.000 0.248 180 K C -1.074 175.782 176.600 0.426 0.000 0.969 180 K CA -0.639 55.874 56.287 0.377 0.000 0.882 180 K CB 1.072 33.693 32.500 0.201 0.000 1.080 180 K HN 0.287 nan 8.250 nan 0.000 0.441 181 F N 0.472 120.407 119.950 -0.024 0.000 2.493 181 F HA 0.227 4.755 4.527 0.001 0.000 0.329 181 F C 0.666 176.463 175.800 -0.005 0.000 1.126 181 F CA -1.223 56.754 58.000 -0.039 0.000 0.937 181 F CB 2.031 40.971 39.000 -0.100 0.000 1.146 181 F HN 0.667 nan 8.300 nan 0.000 0.442 182 S N 0.285 116.062 115.700 0.128 0.000 2.559 182 S HA 0.138 4.608 4.470 0.001 0.000 0.226 182 S C 1.180 175.834 174.600 0.090 0.000 1.030 182 S CA -0.248 58.014 58.200 0.105 0.000 0.956 182 S CB 0.511 63.761 63.200 0.083 0.000 0.900 182 S HN 0.662 nan 8.310 nan 0.000 0.510 183 K N 2.029 122.475 120.400 0.077 0.000 2.409 183 K HA 0.351 4.671 4.320 0.001 0.000 0.237 183 K C 1.555 178.203 176.600 0.081 0.000 1.083 183 K CA 0.155 56.480 56.287 0.063 0.000 0.914 183 K CB -0.529 31.989 32.500 0.029 0.000 1.300 183 K HN 0.191 nan 8.250 nan 0.000 0.454 184 L N 1.634 122.914 121.223 0.095 0.000 2.270 184 L HA -0.159 4.181 4.340 0.001 0.000 0.217 184 L C 2.148 179.086 176.870 0.113 0.000 1.107 184 L CA 1.261 56.171 54.840 0.116 0.000 0.772 184 L CB -0.752 41.407 42.059 0.167 0.000 0.902 184 L HN 0.430 nan 8.230 nan 0.000 0.439 185 T N -0.795 113.840 114.554 0.134 0.000 3.023 185 T HA -0.017 4.333 4.350 0.001 0.000 0.266 185 T C 0.952 175.676 174.700 0.039 0.000 1.093 185 T CA 0.668 62.816 62.100 0.080 0.000 1.129 185 T CB -0.099 68.835 68.868 0.110 0.000 0.899 185 T HN 0.471 nan 8.240 nan 0.000 0.491 186 c N 0.433 119.058 118.600 0.041 0.000 2.564 186 c HA 0.761 5.332 4.570 0.001 0.000 0.381 186 c C 0.784 174.882 174.090 0.013 0.000 1.297 186 c CA -1.535 54.803 56.329 0.015 0.000 1.846 186 c CB 0.961 43.474 42.510 0.004 0.000 2.198 186 c HN 0.169 nan 8.230 nan 0.000 0.507 187 S N 2.733 118.433 115.700 -0.000 0.000 2.573 187 S HA 0.150 4.620 4.470 0.001 0.000 0.277 187 S C -1.274 173.331 174.600 0.008 0.000 1.346 187 S CA -0.159 58.042 58.200 0.000 0.000 1.034 187 S CB 0.273 63.468 63.200 -0.009 0.000 0.879 187 S HN 0.761 nan 8.310 nan 0.000 0.528 188 P HA -0.073 nan 4.420 nan 0.000 0.230 188 P C 0.487 177.794 177.300 0.011 0.000 1.158 188 P CA 0.787 63.895 63.100 0.013 0.000 0.769 188 P CB 0.098 31.804 31.700 0.011 0.000 0.807 189 Q N -1.267 118.537 119.800 0.007 0.000 2.541 189 Q HA -0.031 4.310 4.340 0.001 0.000 0.215 189 Q C 1.084 177.088 176.000 0.006 0.000 0.977 189 Q CA 0.789 56.595 55.803 0.005 0.000 0.934 189 Q CB -0.865 27.873 28.738 0.001 0.000 0.988 189 Q HN 0.257 nan 8.270 nan 0.000 0.521 190 c N 0.066 118.674 118.600 0.013 0.000 2.881 190 c HA 0.577 5.148 4.570 0.001 0.000 0.290 190 c C 0.796 174.900 174.090 0.024 0.000 1.362 190 c CA -1.249 55.091 56.329 0.019 0.000 1.757 190 c CB -1.196 41.332 42.510 0.029 0.000 2.265 190 c HN 0.436 nan 8.230 nan 0.000 0.600 191 A N 0.668 123.501 122.820 0.021 0.000 2.587 191 A HA 0.392 4.713 4.320 0.001 0.000 0.235 191 A C 1.486 179.087 177.584 0.029 0.000 1.044 191 A CA 1.520 53.572 52.037 0.026 0.000 0.754 191 A CB -0.440 18.573 19.000 0.022 0.000 0.968 191 A HN 1.647 nan 8.150 nan 0.000 0.509 192 G N 1.076 109.898 108.800 0.038 0.000 2.213 192 G HA2 0.170 4.130 3.960 0.001 0.000 0.236 192 G HA3 0.170 4.130 3.960 0.001 0.000 0.236 192 G C 0.830 175.763 174.900 0.055 0.000 0.991 192 G CA 0.427 45.554 45.100 0.045 0.000 0.629 192 G HN 2.324 nan 8.290 nan 0.000 0.517 193 G N -0.854 107.977 108.800 0.052 0.000 2.680 193 G HA2 0.709 4.670 3.960 0.001 0.000 0.290 193 G HA3 0.709 4.670 3.960 0.001 0.000 0.290 193 G C -0.326 174.614 174.900 0.067 0.000 1.355 193 G CA -0.754 44.384 45.100 0.063 0.000 0.903 193 G HN 0.414 nan 8.290 nan 0.000 0.474 194 R N -1.698 118.850 120.500 0.080 0.000 2.541 194 R HA 0.742 5.082 4.340 0.001 0.000 0.254 194 R C -0.615 175.751 176.300 0.111 0.000 1.130 194 R CA -0.409 55.743 56.100 0.087 0.000 1.152 194 R CB 1.222 31.575 30.300 0.088 0.000 1.222 194 R HN 0.762 nan 8.270 nan 0.000 0.579 195 c N -0.831 117.845 118.600 0.127 0.000 3.090 195 c HA 0.352 4.923 4.570 0.001 0.000 0.347 195 c C -0.056 174.134 174.090 0.167 0.000 1.147 195 c CA -1.184 55.232 56.329 0.145 0.000 1.305 195 c CB 0.144 42.697 42.510 0.072 0.000 1.692 195 c HN 1.086 nan 8.230 nan 0.000 0.506 196 Y N 0.501 120.825 120.300 0.039 0.000 2.467 196 Y HA 0.643 5.194 4.550 0.001 0.000 0.250 196 Y C 0.440 176.362 175.900 0.035 0.000 1.155 196 Y CA -0.112 58.012 58.100 0.040 0.000 1.249 196 Y CB 0.027 38.511 38.460 0.040 0.000 1.146 196 Y HN 1.169 nan 8.280 nan 0.000 0.524 197 G N 0.153 108.729 108.800 -0.373 0.000 2.649 197 G HA2 0.458 4.418 3.960 0.001 0.000 0.290 197 G HA3 0.458 4.418 3.960 0.001 0.000 0.290 197 G C -2.863 171.930 174.900 -0.179 0.000 1.426 197 G CA -1.355 43.572 45.100 -0.289 0.000 0.794 197 G HN -0.239 nan 8.290 nan 0.000 0.483 198 P HA 0.216 nan 4.420 nan 0.000 0.267 198 P C 0.299 177.558 177.300 -0.069 0.000 1.289 198 P CA 0.010 63.068 63.100 -0.069 0.000 0.866 198 P CB 0.477 32.151 31.700 -0.042 0.000 1.309 199 K N 2.123 122.464 120.400 -0.097 0.000 2.355 199 K HA 0.186 4.507 4.320 0.001 0.000 0.270 199 K C -2.162 174.398 176.600 -0.066 0.000 1.003 199 K CA -1.658 54.584 56.287 -0.075 0.000 0.957 199 K CB -0.279 32.171 32.500 -0.084 0.000 0.939 199 K HN 0.084 nan 8.250 nan 0.000 0.482 200 P HA 0.108 nan 4.420 nan 0.000 0.276 200 P C -0.534 176.754 177.300 -0.021 0.000 1.235 200 P CA 0.053 63.139 63.100 -0.023 0.000 0.772 200 P CB 1.135 32.827 31.700 -0.013 0.000 0.871 201 R N 0.995 121.490 120.500 -0.008 0.000 3.492 201 R HA -0.117 4.223 4.340 0.001 0.000 0.481 201 R C 0.067 176.382 176.300 0.025 0.000 0.932 201 R CA 0.853 56.961 56.100 0.013 0.000 1.170 201 R CB -2.162 28.143 30.300 0.010 0.000 1.892 201 R HN 0.536 nan 8.270 nan 0.000 0.493 202 E N -0.092 120.084 120.200 -0.041 0.000 2.939 202 E HA 0.280 4.631 4.350 0.001 0.000 0.215 202 E C -0.967 175.609 176.600 -0.040 0.000 1.025 202 E CA -0.315 55.963 56.400 -0.203 0.000 1.259 202 E CB 0.392 29.797 29.700 -0.493 0.000 1.228 202 E HN 0.290 nan 8.360 nan 0.000 0.443 203 c N 0.065 118.780 118.600 0.192 0.000 2.399 203 c HA 0.526 5.096 4.570 0.001 0.000 0.348 203 c C 0.388 174.632 174.090 0.257 0.000 1.183 203 c CA -0.918 55.543 56.329 0.221 0.000 2.023 203 c CB 0.659 43.224 42.510 0.092 0.000 2.361 203 c HN 0.507 nan 8.230 nan 0.000 0.521 204 c N 0.844 119.565 118.600 0.202 0.000 2.364 204 c HA 0.352 4.923 4.570 0.001 0.000 0.356 204 c C 0.439 174.579 174.090 0.084 0.000 1.201 204 c CA -0.323 56.080 56.329 0.124 0.000 2.227 204 c CB -0.450 42.127 42.510 0.112 0.000 2.387 204 c HN 0.982 nan 8.230 nan 0.000 0.546 205 H N 0.619 119.677 119.070 -0.020 0.000 3.115 205 H HA 0.000 4.557 4.556 0.001 0.000 0.324 205 H C 0.743 176.050 175.328 -0.036 0.000 1.007 205 H CA 0.283 56.278 56.048 -0.087 0.000 1.385 205 H CB 0.477 30.162 29.762 -0.129 0.000 1.351 205 H HN 0.553 nan 8.280 nan 0.000 0.592 206 L N 4.988 126.136 121.223 -0.125 0.000 2.549 206 L HA -0.150 4.191 4.340 0.001 0.000 0.230 206 L C 1.294 178.398 176.870 0.390 0.000 1.162 206 L CA 0.594 55.488 54.840 0.089 0.000 0.834 206 L CB -0.406 41.664 42.059 0.019 0.000 0.947 206 L HN 0.660 nan 8.230 nan 0.000 0.452 207 F N -1.184 118.991 119.950 0.375 0.000 2.456 207 F HA 0.007 4.535 4.527 0.001 0.000 0.298 207 F C 1.548 177.436 175.800 0.147 0.000 1.104 207 F CA -0.955 57.191 58.000 0.244 0.000 1.435 207 F CB -1.208 37.899 39.000 0.178 0.000 1.078 207 F HN 0.123 nan 8.300 nan 0.000 0.546 208 c N -0.586 118.206 118.600 0.319 0.000 2.547 208 c HA 0.911 5.481 4.570 0.001 0.000 0.411 208 c C 0.476 174.659 174.090 0.155 0.000 1.424 208 c CA -1.255 55.197 56.329 0.205 0.000 1.848 208 c CB 0.698 43.307 42.510 0.165 0.000 2.062 208 c HN 0.284 nan 8.230 nan 0.000 0.504 209 A N -0.566 122.324 122.820 0.118 0.000 2.414 209 A HA 0.749 5.069 4.320 0.001 0.000 0.306 209 A C 0.378 178.008 177.584 0.077 0.000 1.054 209 A CA 0.367 52.459 52.037 0.093 0.000 0.724 209 A CB 0.342 19.390 19.000 0.079 0.000 1.267 209 A HN 2.711 nan 8.150 nan 0.000 0.418 210 G N 1.089 109.930 108.800 0.068 0.000 2.359 210 G HA2 0.355 4.316 3.960 0.001 0.000 0.298 210 G HA3 0.355 4.316 3.960 0.001 0.000 0.298 210 G C 1.581 176.518 174.900 0.061 0.000 1.030 210 G CA 1.090 46.224 45.100 0.057 0.000 1.149 210 G HN 3.098 nan 8.290 nan 0.000 0.512 211 G N -1.642 107.202 108.800 0.074 0.000 2.698 211 G HA2 0.328 4.288 3.960 0.001 0.000 0.233 211 G HA3 0.328 4.288 3.960 0.001 0.000 0.233 211 G C 0.644 175.591 174.900 0.078 0.000 1.352 211 G CA 0.835 45.985 45.100 0.083 0.000 0.879 211 G HN 2.969 nan 8.290 nan 0.000 0.567 212 c N -4.482 114.163 118.600 0.075 0.000 2.969 212 c HA 0.701 5.271 4.570 0.001 0.000 0.338 212 c C 0.824 174.927 174.090 0.021 0.000 1.217 212 c CA 0.410 56.763 56.329 0.040 0.000 1.146 212 c CB 0.901 43.428 42.510 0.029 0.000 1.366 212 c HN 2.451 nan 8.230 nan 0.000 0.488 213 T N -1.840 112.680 114.554 -0.056 0.000 3.054 213 T HA 0.598 4.949 4.350 0.001 0.000 0.255 213 T C 0.600 175.129 174.700 -0.285 0.000 1.035 213 T CA 1.008 63.071 62.100 -0.062 0.000 0.941 213 T CB -0.129 68.728 68.868 -0.018 0.000 1.026 213 T HN 2.642 nan 8.240 nan 0.000 0.533 214 G N 1.439 109.850 108.800 -0.649 0.000 2.322 214 G HA2 0.460 4.421 3.960 0.001 0.000 0.295 214 G HA3 0.460 4.421 3.960 0.001 0.000 0.295 214 G C -2.750 171.665 174.900 -0.808 0.000 1.369 214 G CA -0.467 43.948 45.100 -1.142 0.000 0.821 214 G HN -0.190 nan 8.290 nan 0.000 0.536 215 P HA 0.075 nan 4.420 nan 0.000 0.219 215 P C 1.388 178.672 177.300 -0.027 0.000 1.154 215 P CA 1.464 64.483 63.100 -0.134 0.000 0.826 215 P CB -0.169 31.547 31.700 0.026 0.000 0.795 216 T N -1.814 112.714 114.554 -0.045 0.000 2.860 216 T HA 0.071 4.421 4.350 0.001 0.000 0.299 216 T C 1.263 175.945 174.700 -0.030 0.000 1.045 216 T CA -0.201 61.895 62.100 -0.007 0.000 1.071 216 T CB 0.447 69.299 68.868 -0.027 0.000 0.985 216 T HN 0.104 nan 8.240 nan 0.000 0.537 217 Q N 0.403 120.139 119.800 -0.107 0.000 2.437 217 Q HA -0.016 4.325 4.340 0.001 0.000 0.210 217 Q C 1.922 177.895 176.000 -0.046 0.000 0.972 217 Q CA 0.764 56.470 55.803 -0.162 0.000 0.903 217 Q CB -0.047 28.497 28.738 -0.324 0.000 0.967 217 Q HN 0.653 nan 8.270 nan 0.000 0.486 218 K N 0.465 120.844 120.400 -0.035 0.000 2.365 218 K HA -0.038 4.282 4.320 0.001 0.000 0.197 218 K C 0.521 177.133 176.600 0.020 0.000 1.042 218 K CA 0.618 56.904 56.287 -0.002 0.000 0.987 218 K CB 0.352 32.845 32.500 -0.012 0.000 0.779 218 K HN 0.173 nan 8.250 nan 0.000 0.484 219 D N 0.463 120.858 120.400 -0.007 0.000 2.349 219 D HA 0.001 4.642 4.640 0.001 0.000 0.215 219 D C 0.711 177.010 176.300 -0.001 0.000 1.016 219 D CA 0.201 54.186 54.000 -0.025 0.000 0.870 219 D CB -0.019 40.720 40.800 -0.101 0.000 0.917 219 D HN 0.133 nan 8.370 nan 0.000 0.524 220 c N -0.116 118.509 118.600 0.042 0.000 2.396 220 c HA 0.407 4.977 4.570 0.001 0.000 0.359 220 c C 2.413 176.543 174.090 0.067 0.000 1.307 220 c CA -0.911 55.453 56.329 0.059 0.000 2.392 220 c CB 0.384 42.946 42.510 0.087 0.000 2.245 220 c HN 0.084 nan 8.230 nan 0.000 0.615 221 I N 0.773 121.380 120.570 0.061 0.000 2.277 221 I HA 0.034 4.205 4.170 0.001 0.000 0.243 221 I C 1.302 177.446 176.117 0.044 0.000 1.094 221 I CA 1.520 62.849 61.300 0.048 0.000 1.393 221 I CB -0.281 37.745 38.000 0.044 0.000 1.078 221 I HN 0.788 nan 8.210 nan 0.000 0.417 222 A N -0.661 122.195 122.820 0.059 0.000 2.413 222 A HA 0.491 4.811 4.320 0.001 0.000 0.307 222 A C -1.052 176.588 177.584 0.093 0.000 1.087 222 A CA -0.451 51.620 52.037 0.055 0.000 0.750 222 A CB 1.081 20.112 19.000 0.050 0.000 1.296 222 A HN 0.206 nan 8.150 nan 0.000 0.423 223 c N 1.711 120.373 118.600 0.103 0.000 2.499 223 c HA 0.275 4.845 4.570 0.001 0.000 0.386 223 c C 2.063 176.202 174.090 0.082 0.000 1.293 223 c CA -0.132 56.278 56.329 0.136 0.000 1.884 223 c CB 0.107 42.737 42.510 0.200 0.000 2.509 223 c HN 1.124 nan 8.230 nan 0.000 0.566 224 K N 2.674 123.131 120.400 0.094 0.000 2.002 224 K HA -0.117 4.204 4.320 0.001 0.000 0.209 224 K C 1.202 177.795 176.600 -0.012 0.000 1.048 224 K CA 1.950 58.273 56.287 0.062 0.000 0.930 224 K CB 0.130 32.692 32.500 0.104 0.000 0.714 224 K HN 0.716 nan 8.250 nan 0.000 0.438 225 N N -1.264 117.410 118.700 -0.044 0.000 2.804 225 N HA 0.132 4.872 4.740 0.001 0.000 0.233 225 N C -0.387 174.866 175.510 -0.428 0.000 1.020 225 N CA 0.554 53.475 53.050 -0.215 0.000 1.164 225 N CB 0.143 38.591 38.487 -0.066 0.000 1.571 225 N HN -0.054 nan 8.380 nan 0.000 0.551 226 F N -0.066 119.872 119.950 -0.019 0.000 2.520 226 F HA 0.442 4.969 4.527 0.001 0.000 0.322 226 F C -0.737 175.107 175.800 0.073 0.000 1.103 226 F CA -1.056 56.954 58.000 0.016 0.000 0.926 226 F CB 1.869 40.848 39.000 -0.034 0.000 1.154 226 F HN -0.092 nan 8.300 nan 0.000 0.453 227 F N 3.194 123.219 119.950 0.124 0.000 2.426 227 F HA 0.538 5.065 4.527 0.001 0.000 0.348 227 F C -1.042 174.810 175.800 0.086 0.000 1.124 227 F CA -0.444 57.599 58.000 0.072 0.000 1.008 227 F CB 0.874 39.884 39.000 0.016 0.000 1.139 227 F HN 0.461 nan 8.300 nan 0.000 0.452 228 D N 5.214 125.283 120.400 -0.552 0.000 2.764 228 D HA 0.238 4.879 4.640 0.001 0.000 0.227 228 D C -0.776 175.227 176.300 -0.496 0.000 1.347 228 D CA -0.074 53.703 54.000 -0.370 0.000 0.953 228 D CB 0.829 41.550 40.800 -0.132 0.000 1.476 228 D HN 0.627 nan 8.370 nan 0.000 0.585 229 E N 2.483 122.424 120.200 -0.432 0.000 3.181 229 E HA -0.150 4.201 4.350 0.001 0.000 0.293 229 E C 0.747 177.129 176.600 -0.364 0.000 0.936 229 E CA 0.889 57.120 56.400 -0.281 0.000 0.975 229 E CB -1.742 27.854 29.700 -0.174 0.000 1.496 229 E HN 1.227 nan 8.360 nan 0.000 0.429 230 G N -0.363 107.951 108.800 -0.810 0.000 2.249 230 G HA2 -0.261 3.699 3.960 0.001 0.000 0.273 230 G HA3 -0.261 3.699 3.960 0.001 0.000 0.273 230 G C 0.099 174.802 174.900 -0.329 0.000 1.036 230 G CA 0.806 45.606 45.100 -0.500 0.000 0.824 230 G HN 0.941 nan 8.290 nan 0.000 0.504 231 V N -0.670 118.928 119.914 -0.528 0.000 2.733 231 V HA 0.640 4.761 4.120 0.001 0.000 0.306 231 V C 0.399 176.399 176.094 -0.157 0.000 1.084 231 V CA -0.735 61.440 62.300 -0.208 0.000 0.905 231 V CB 1.596 33.332 31.823 -0.145 0.000 1.010 231 V HN 0.583 nan 8.190 nan 0.000 0.424 232 c N 6.636 125.245 118.600 0.014 0.000 2.585 232 c HA 0.538 5.109 4.570 0.001 0.000 0.406 232 c C 0.403 174.559 174.090 0.111 0.000 1.312 232 c CA -0.272 56.119 56.329 0.103 0.000 1.924 232 c CB -0.544 42.080 42.510 0.191 0.000 2.578 232 c HN 0.926 nan 8.230 nan 0.000 0.580 233 K N 1.541 121.942 120.400 0.003 0.000 2.385 233 K HA 0.262 4.583 4.320 0.001 0.000 0.248 233 K C 0.622 176.934 176.600 -0.480 0.000 0.955 233 K CA -0.556 55.610 56.287 -0.202 0.000 0.816 233 K CB 1.802 34.242 32.500 -0.100 0.000 1.250 233 K HN 0.664 nan 8.250 nan 0.000 0.434 234 E N 1.107 120.653 120.200 -1.089 0.000 2.318 234 E HA -0.031 4.319 4.350 0.001 0.000 0.193 234 E C -0.521 175.980 176.600 -0.164 0.000 0.998 234 E CA 0.861 56.859 56.400 -0.669 0.000 0.859 234 E CB 0.612 29.805 29.700 -0.847 0.000 0.812 234 E HN 0.412 nan 8.360 nan 0.000 0.492 235 E N -0.388 119.664 120.200 -0.246 0.000 2.308 235 E HA 0.222 4.572 4.350 0.001 0.000 0.275 235 E C -1.357 175.011 176.600 -0.386 0.000 0.890 235 E CA -0.707 55.523 56.400 -0.284 0.000 0.754 235 E CB 1.915 31.517 29.700 -0.163 0.000 1.207 235 E HN 0.071 nan 8.360 nan 0.000 0.426 236 c N 3.281 121.514 118.600 -0.612 0.000 2.689 236 c HA 0.181 4.751 4.570 0.001 0.000 0.409 236 c C -2.051 171.889 174.090 -0.251 0.000 1.293 236 c CA -0.983 55.085 56.329 -0.435 0.000 2.136 236 c CB -0.713 41.516 42.510 -0.470 0.000 2.719 236 c HN 0.529 nan 8.230 nan 0.000 0.644 237 P HA 0.086 nan 4.420 nan 0.000 0.258 237 P C -2.239 174.975 177.300 -0.144 0.000 1.187 237 P CA -0.288 62.738 63.100 -0.123 0.000 0.767 237 P CB -0.262 31.379 31.700 -0.099 0.000 0.770 238 P HA 0.057 nan 4.420 nan 0.000 0.271 238 P C 0.731 177.952 177.300 -0.131 0.000 1.218 238 P CA -0.082 62.944 63.100 -0.122 0.000 0.780 238 P CB 0.639 32.298 31.700 -0.069 0.000 0.901 239 M N 1.444 120.943 119.600 -0.168 0.000 2.175 239 M HA -0.050 4.430 4.480 0.001 0.000 0.264 239 M C 1.023 177.271 176.300 -0.087 0.000 1.063 239 M CA 1.676 56.878 55.300 -0.164 0.000 1.119 239 M CB -1.027 31.450 32.600 -0.205 0.000 1.377 239 M HN 0.363 nan 8.290 nan 0.000 0.415 240 R N 0.788 121.252 120.500 -0.059 0.000 2.393 240 R HA 0.354 4.695 4.340 0.001 0.000 0.315 240 R C -0.165 176.139 176.300 0.008 0.000 0.952 240 R CA -0.412 55.677 56.100 -0.017 0.000 0.842 240 R CB 1.906 32.206 30.300 0.001 0.000 1.163 240 R HN 0.007 nan 8.270 nan 0.000 0.450 241 K N 3.729 124.139 120.400 0.016 0.000 2.213 241 K HA 0.154 4.474 4.320 0.001 0.000 0.270 241 K C -1.080 175.573 176.600 0.088 0.000 1.002 241 K CA -0.541 55.771 56.287 0.042 0.000 0.868 241 K CB 0.916 33.422 32.500 0.010 0.000 1.093 241 K HN 0.491 nan 8.250 nan 0.000 0.454 242 Y N 3.846 124.142 120.300 -0.007 0.000 2.411 242 Y HA 0.109 4.659 4.550 0.001 0.000 0.333 242 Y C -0.267 175.632 175.900 -0.000 0.000 1.186 242 Y CA 0.068 58.172 58.100 0.006 0.000 1.381 242 Y CB 0.725 39.198 38.460 0.021 0.000 1.273 242 Y HN 0.662 nan 8.280 nan 0.000 0.546 243 N N 7.089 125.427 118.700 -0.604 0.000 2.443 243 N HA 0.311 5.052 4.740 0.001 0.000 0.269 243 N C -2.556 172.465 175.510 -0.814 0.000 0.985 243 N CA -2.315 50.435 53.050 -0.500 0.000 0.921 243 N CB 2.183 40.478 38.487 -0.321 0.000 1.195 243 N HN 0.336 nan 8.380 nan 0.000 0.492 244 P HA 0.063 nan 4.420 nan 0.000 0.225 244 P C 0.880 177.910 177.300 -0.449 0.000 1.156 244 P CA 0.889 63.809 63.100 -0.300 0.000 0.787 244 P CB 0.488 32.178 31.700 -0.016 0.000 0.802 245 T N -1.331 112.985 114.554 -0.398 0.000 2.770 245 T HA -0.028 4.323 4.350 0.001 0.000 0.258 245 T C 0.996 175.367 174.700 -0.549 0.000 1.039 245 T CA 1.554 63.424 62.100 -0.384 0.000 1.143 245 T CB -0.747 67.989 68.868 -0.221 0.000 0.866 245 T HN 0.228 nan 8.240 nan 0.000 0.428 246 T N 0.250 114.524 114.554 -0.465 0.000 2.794 246 T HA 0.423 4.774 4.350 0.001 0.000 0.280 246 T C -0.754 173.686 174.700 -0.433 0.000 0.987 246 T CA -0.837 61.028 62.100 -0.391 0.000 0.993 246 T CB 0.476 69.222 68.868 -0.203 0.000 0.939 246 T HN 0.252 nan 8.240 nan 0.000 0.449 247 Y N 3.435 123.673 120.300 -0.103 0.000 2.570 247 Y HA 0.496 5.047 4.550 0.001 0.000 0.336 247 Y C 0.433 176.291 175.900 -0.070 0.000 1.284 247 Y CA -0.469 57.570 58.100 -0.102 0.000 1.761 247 Y CB -0.133 38.355 38.460 0.046 0.000 1.724 247 Y HN 0.560 nan 8.280 nan 0.000 0.455 248 V N 4.000 123.839 119.914 -0.125 0.000 2.851 248 V HA 0.410 4.531 4.120 0.001 0.000 0.307 248 V C -0.876 175.200 176.094 -0.030 0.000 1.129 248 V CA -1.216 61.072 62.300 -0.019 0.000 0.932 248 V CB 1.992 33.803 31.823 -0.021 0.000 1.024 248 V HN 0.459 nan 8.190 nan 0.000 0.426 249 L N 5.623 126.914 121.223 0.114 0.000 2.361 249 L HA 0.390 4.730 4.340 0.001 0.000 0.278 249 L C 0.482 177.373 176.870 0.033 0.000 1.113 249 L CA 0.284 55.191 54.840 0.112 0.000 0.849 249 L CB 0.581 42.717 42.059 0.128 0.000 1.155 249 L HN 0.681 nan 8.230 nan 0.000 0.452 250 E N 1.147 121.351 120.200 0.007 0.000 2.312 250 E HA 0.235 4.585 4.350 0.001 0.000 0.259 250 E C -0.267 176.331 176.600 -0.004 0.000 1.122 250 E CA -0.524 55.871 56.400 -0.008 0.000 0.922 250 E CB 1.131 30.815 29.700 -0.026 0.000 1.109 250 E HN 0.388 nan 8.360 nan 0.000 0.442 251 T N 1.193 115.741 114.554 -0.010 0.000 2.856 251 T HA 0.144 4.494 4.350 0.001 0.000 0.292 251 T C -0.533 174.154 174.700 -0.022 0.000 0.980 251 T CA -0.558 61.533 62.100 -0.015 0.000 1.091 251 T CB 0.213 69.073 68.868 -0.012 0.000 0.936 251 T HN 0.236 nan 8.240 nan 0.000 0.503 252 N N 5.195 123.875 118.700 -0.033 0.000 2.485 252 N HA 0.348 5.088 4.740 0.001 0.000 0.243 252 N C -1.359 174.128 175.510 -0.039 0.000 0.987 252 N CA -2.316 50.711 53.050 -0.038 0.000 0.940 252 N CB 1.723 40.182 38.487 -0.048 0.000 1.122 252 N HN 0.366 nan 8.380 nan 0.000 0.509 253 P HA -0.072 nan 4.420 nan 0.000 0.220 253 P C 0.122 177.408 177.300 -0.025 0.000 1.148 253 P CA 1.080 64.167 63.100 -0.021 0.000 0.803 253 P CB 0.567 32.258 31.700 -0.015 0.000 0.782 254 E N 0.119 120.300 120.200 -0.032 0.000 2.489 254 E HA 0.125 4.475 4.350 0.001 0.000 0.193 254 E C 1.326 177.894 176.600 -0.054 0.000 1.057 254 E CA 0.027 56.407 56.400 -0.035 0.000 0.866 254 E CB -0.636 29.045 29.700 -0.032 0.000 0.916 254 E HN 0.210 nan 8.360 nan 0.000 0.500 255 G N 1.354 110.109 108.800 -0.076 0.000 2.432 255 G HA2 0.166 4.126 3.960 0.001 0.000 0.239 255 G HA3 0.166 4.126 3.960 0.001 0.000 0.239 255 G C -0.112 174.699 174.900 -0.148 0.000 1.291 255 G CA -0.156 44.866 45.100 -0.129 0.000 0.863 255 G HN -0.050 nan 8.290 nan 0.000 0.560 256 K N 0.485 120.774 120.400 -0.185 0.000 2.477 256 K HA 0.288 4.608 4.320 0.001 0.000 0.255 256 K C -1.412 175.058 176.600 -0.215 0.000 0.952 256 K CA -0.772 55.438 56.287 -0.129 0.000 0.826 256 K CB 2.187 34.664 32.500 -0.038 0.000 1.331 256 K HN 0.493 nan 8.250 nan 0.000 0.437 257 Y N 0.675 120.953 120.300 -0.037 0.000 2.309 257 Y HA 0.250 4.800 4.550 0.001 0.000 0.327 257 Y C 0.659 176.555 175.900 -0.006 0.000 1.172 257 Y CA -0.483 57.599 58.100 -0.030 0.000 1.280 257 Y CB 0.962 39.408 38.460 -0.024 0.000 1.234 257 Y HN 0.579 nan 8.280 nan 0.000 0.512 258 A N 3.697 126.579 122.820 0.104 0.000 2.404 258 A HA 0.273 4.594 4.320 0.001 0.000 0.273 258 A C -1.411 176.385 177.584 0.353 0.000 1.144 258 A CA -0.192 51.913 52.037 0.113 0.000 0.806 258 A CB -0.490 18.497 19.000 -0.021 0.000 1.080 258 A HN 0.635 nan 8.150 nan 0.000 0.509 259 Y N 2.561 123.004 120.300 0.238 0.000 2.749 259 Y HA 0.451 5.002 4.550 0.001 0.000 0.343 259 Y C 0.775 176.791 175.900 0.192 0.000 1.015 259 Y CA -0.812 57.395 58.100 0.179 0.000 1.270 259 Y CB 0.519 39.047 38.460 0.114 0.000 1.097 259 Y HN 1.272 nan 8.280 nan 0.000 0.571 260 G N 4.562 113.443 108.800 0.136 0.000 2.137 260 G HA2 0.136 4.096 3.960 0.001 0.000 0.241 260 G HA3 0.136 4.096 3.960 0.001 0.000 0.241 260 G C 0.972 175.786 174.900 -0.143 0.000 0.689 260 G CA 0.787 45.855 45.100 -0.052 0.000 1.099 260 G HN 2.104 nan 8.290 nan 0.000 0.332 261 A N -0.390 122.288 122.820 -0.237 0.000 3.172 261 A HA 0.099 4.419 4.320 0.001 0.000 0.263 261 A C 1.502 179.117 177.584 0.052 0.000 1.215 261 A CA 2.567 54.407 52.037 -0.328 0.000 1.065 261 A CB -2.103 16.746 19.000 -0.251 0.000 1.148 261 A HN 2.956 nan 8.150 nan 0.000 0.904 262 T N -3.080 111.608 114.554 0.224 0.000 2.896 262 T HA 0.614 4.964 4.350 0.001 0.000 0.297 262 T C -0.460 174.444 174.700 0.340 0.000 1.108 262 T CA -0.235 62.034 62.100 0.281 0.000 1.004 262 T CB 2.034 70.995 68.868 0.155 0.000 1.159 262 T HN 1.028 nan 8.240 nan 0.000 0.499 263 c N 3.274 122.008 118.600 0.223 0.000 2.281 263 c HA 0.789 5.360 4.570 0.001 0.000 0.323 263 c C 0.515 174.690 174.090 0.141 0.000 1.270 263 c CA -0.803 55.605 56.329 0.131 0.000 1.559 263 c CB -0.397 42.113 42.510 -0.000 0.000 2.239 263 c HN 0.909 nan 8.230 nan 0.000 0.488 264 V N 2.556 122.584 119.914 0.190 0.000 2.667 264 V HA 0.554 4.675 4.120 0.001 0.000 0.308 264 V C 0.738 176.936 176.094 0.173 0.000 1.048 264 V CA -0.685 61.718 62.300 0.173 0.000 0.928 264 V CB 1.391 33.332 31.823 0.197 0.000 1.004 264 V HN 0.903 nan 8.190 nan 0.000 0.444 265 K N 2.044 122.520 120.400 0.127 0.000 2.025 265 K HA 0.152 4.472 4.320 0.001 0.000 0.207 265 K C 0.757 177.465 176.600 0.180 0.000 1.049 265 K CA 1.585 57.958 56.287 0.144 0.000 0.933 265 K CB -0.311 32.237 32.500 0.081 0.000 0.714 265 K HN 0.991 nan 8.250 nan 0.000 0.438 266 E N 1.286 121.510 120.200 0.039 0.000 2.227 266 E HA 0.366 4.717 4.350 0.001 0.000 0.268 266 E C -0.900 175.554 176.600 -0.243 0.000 0.907 266 E CA -0.902 55.422 56.400 -0.128 0.000 0.786 266 E CB 1.043 30.684 29.700 -0.098 0.000 1.191 266 E HN 0.279 nan 8.360 nan 0.000 0.411 267 c N 2.571 120.890 118.600 -0.468 0.000 2.700 267 c HA 0.280 4.851 4.570 0.001 0.000 0.397 267 c C -0.631 173.225 174.090 -0.389 0.000 1.301 267 c CA -0.203 55.844 56.329 -0.471 0.000 2.219 267 c CB 0.468 42.659 42.510 -0.532 0.000 2.699 267 c HN 0.891 nan 8.230 nan 0.000 0.669 268 P HA -0.009 nan 4.420 nan 0.000 0.218 268 P C 1.164 178.329 177.300 -0.225 0.000 1.146 268 P CA 2.359 65.239 63.100 -0.366 0.000 0.820 268 P CB -0.018 31.314 31.700 -0.614 0.000 0.778 269 G N -1.005 107.611 108.800 -0.308 0.000 2.284 269 G HA2 -0.340 3.621 3.960 0.001 0.000 0.247 269 G HA3 -0.340 3.621 3.960 0.001 0.000 0.247 269 G C 0.837 175.693 174.900 -0.072 0.000 1.012 269 G CA 0.619 45.626 45.100 -0.154 0.000 0.618 269 G HN 0.593 nan 8.290 nan 0.000 0.521 270 H N -0.099 118.937 119.070 -0.056 0.000 2.551 270 H HA 0.675 5.232 4.556 0.001 0.000 0.266 270 H C 1.287 176.586 175.328 -0.048 0.000 0.964 270 H CA 0.104 56.147 56.048 -0.009 0.000 1.180 270 H CB 0.090 29.871 29.762 0.032 0.000 1.408 270 H HN 0.449 nan 8.280 nan 0.000 0.563 271 L N 1.173 122.103 121.223 -0.488 0.000 2.387 271 L HA 0.361 4.702 4.340 0.001 0.000 0.266 271 L C -0.004 176.724 176.870 -0.236 0.000 1.059 271 L CA -1.069 53.564 54.840 -0.345 0.000 0.801 271 L CB 1.760 43.553 42.059 -0.443 0.000 1.223 271 L HN 0.153 nan 8.230 nan 0.000 0.456 272 L N 0.984 122.110 121.223 -0.162 0.000 2.431 272 L HA 0.495 4.836 4.340 0.001 0.000 0.260 272 L C -0.189 176.613 176.870 -0.113 0.000 1.098 272 L CA -0.785 53.980 54.840 -0.125 0.000 0.800 272 L CB 0.903 42.913 42.059 -0.081 0.000 1.210 272 L HN 0.568 nan 8.230 nan 0.000 0.465 273 R N 0.358 120.809 120.500 -0.081 0.000 2.337 273 R HA 0.343 4.683 4.340 0.001 0.000 0.319 273 R C -1.074 175.251 176.300 0.042 0.000 0.954 273 R CA -0.821 55.267 56.100 -0.020 0.000 0.840 273 R CB 1.485 31.759 30.300 -0.043 0.000 1.164 273 R HN 0.435 nan 8.270 nan 0.000 0.472 274 D N 1.606 122.044 120.400 0.062 0.000 2.411 274 D HA -0.032 4.608 4.640 0.001 0.000 0.251 274 D C 1.061 177.410 176.300 0.081 0.000 1.201 274 D CA -0.229 53.806 54.000 0.058 0.000 0.996 274 D CB 0.894 41.724 40.800 0.050 0.000 1.101 274 D HN 0.539 nan 8.370 nan 0.000 0.504 275 N N 0.202 118.930 118.700 0.047 0.000 2.036 275 N HA -0.189 4.551 4.740 0.001 0.000 0.199 275 N C 1.336 176.847 175.510 0.001 0.000 1.036 275 N CA 2.264 55.330 53.050 0.028 0.000 0.870 275 N CB -0.793 37.695 38.487 0.002 0.000 1.055 275 N HN 0.387 nan 8.380 nan 0.000 0.436 276 G N -2.006 106.785 108.800 -0.015 0.000 3.324 276 G HA2 0.610 4.570 3.960 0.001 0.000 0.251 276 G HA3 0.610 4.570 3.960 0.001 0.000 0.251 276 G C -0.226 174.678 174.900 0.008 0.000 1.072 276 G CA 0.253 45.294 45.100 -0.099 0.000 0.787 276 G HN 0.737 nan 8.290 nan 0.000 0.537 277 A N -0.632 122.277 122.820 0.149 0.000 2.475 277 A HA 0.568 4.888 4.320 0.001 0.000 0.301 277 A C -0.608 177.087 177.584 0.185 0.000 1.059 277 A CA -0.509 51.636 52.037 0.180 0.000 0.710 277 A CB 0.961 20.034 19.000 0.123 0.000 1.288 277 A HN 0.204 nan 8.150 nan 0.000 0.408 278 c N 1.973 120.662 118.600 0.149 0.000 2.442 278 c HA 0.537 5.107 4.570 0.001 0.000 0.362 278 c C 0.669 174.792 174.090 0.054 0.000 1.242 278 c CA -0.368 55.963 56.329 0.004 0.000 1.741 278 c CB -1.085 41.338 42.510 -0.144 0.000 2.378 278 c HN 0.579 nan 8.230 nan 0.000 0.549 279 V N 4.801 124.719 119.914 0.007 0.000 2.919 279 V HA 0.425 4.545 4.120 0.001 0.000 0.316 279 V C 0.926 177.025 176.094 0.008 0.000 1.077 279 V CA -0.528 61.792 62.300 0.034 0.000 0.977 279 V CB 2.093 33.936 31.823 0.034 0.000 1.039 279 V HN 0.879 nan 8.190 nan 0.000 0.441 280 R N 1.018 121.540 120.500 0.037 0.000 2.112 280 R HA 0.158 4.498 4.340 0.001 0.000 0.216 280 R C 0.226 176.532 176.300 0.011 0.000 1.080 280 R CA 0.995 57.114 56.100 0.033 0.000 0.996 280 R CB 0.343 30.681 30.300 0.064 0.000 0.902 280 R HN 0.756 nan 8.270 nan 0.000 0.449 281 S N -1.092 114.618 115.700 0.016 0.000 2.536 281 S HA 0.307 4.777 4.470 0.001 0.000 0.271 281 S C -0.404 174.203 174.600 0.012 0.000 1.134 281 S CA -1.156 57.050 58.200 0.010 0.000 0.897 281 S CB 1.490 64.703 63.200 0.021 0.000 1.094 281 S HN 0.112 nan 8.310 nan 0.000 0.473 282 c N 4.429 123.032 118.600 0.005 0.000 2.662 282 c HA 0.549 5.119 4.570 0.001 0.000 0.420 282 c C -1.348 172.750 174.090 0.013 0.000 1.314 282 c CA -0.437 55.897 56.329 0.008 0.000 1.963 282 c CB -0.345 42.167 42.510 0.003 0.000 2.686 282 c HN 0.785 nan 8.230 nan 0.000 0.609 283 P HA 0.199 nan 4.420 nan 0.000 0.278 283 P C 0.159 177.466 177.300 0.011 0.000 1.266 283 P CA -0.309 62.800 63.100 0.015 0.000 0.807 283 P CB 0.473 32.182 31.700 0.016 0.000 1.094 284 Q N 0.227 120.033 119.800 0.009 0.000 2.197 284 Q HA -0.234 4.106 4.340 0.001 0.000 0.207 284 Q C 0.644 176.647 176.000 0.005 0.000 0.984 284 Q CA 2.122 57.929 55.803 0.006 0.000 0.869 284 Q CB -0.766 27.975 28.738 0.004 0.000 0.906 284 Q HN 0.305 nan 8.270 nan 0.000 0.426 285 D N 0.993 121.397 120.400 0.006 0.000 2.178 285 D HA -0.043 4.597 4.640 0.001 0.000 0.202 285 D C 0.281 176.585 176.300 0.006 0.000 0.974 285 D CA 1.253 55.257 54.000 0.005 0.000 0.841 285 D CB 0.055 40.859 40.800 0.006 0.000 0.953 285 D HN 0.459 nan 8.370 nan 0.000 0.478 286 K N -0.078 120.326 120.400 0.007 0.000 2.313 286 K HA 0.720 5.041 4.320 0.001 0.000 0.235 286 K C -0.055 176.549 176.600 0.007 0.000 1.035 286 K CA -0.837 55.455 56.287 0.007 0.000 0.868 286 K CB 2.305 34.811 32.500 0.009 0.000 1.232 286 K HN -0.020 nan 8.250 nan 0.000 0.459 287 M N -1.160 118.444 119.600 0.006 0.000 2.520 287 M HA 0.357 4.838 4.480 0.001 0.000 0.280 287 M C -1.153 175.147 176.300 0.000 0.000 1.232 287 M CA -0.999 54.303 55.300 0.004 0.000 0.892 287 M CB 1.903 34.507 32.600 0.007 0.000 1.728 287 M HN 0.346 nan 8.290 nan 0.000 0.475 288 D N 2.203 122.601 120.400 -0.004 0.000 2.472 288 D HA 0.429 5.070 4.640 0.001 0.000 0.237 288 D C -0.682 175.615 176.300 -0.005 0.000 1.141 288 D CA 0.934 54.927 54.000 -0.012 0.000 0.875 288 D CB 1.016 41.803 40.800 -0.022 0.000 1.192 288 D HN 0.794 nan 8.370 nan 0.000 0.450 289 K N 1.101 121.497 120.400 -0.008 0.000 2.399 289 K HA 0.669 4.990 4.320 0.001 0.000 0.260 289 K C 0.445 177.040 176.600 -0.009 0.000 1.049 289 K CA -0.268 56.017 56.287 -0.002 0.000 0.890 289 K CB 0.219 32.720 32.500 0.002 0.000 1.430 289 K HN 0.478 nan 8.250 nan 0.000 0.459 290 G N 0.118 108.916 108.800 -0.003 0.000 2.305 290 G HA2 0.464 4.425 3.960 0.001 0.000 0.281 290 G HA3 0.464 4.425 3.960 0.001 0.000 0.281 290 G C 1.323 176.211 174.900 -0.019 0.000 1.085 290 G CA 1.459 46.556 45.100 -0.007 0.000 1.211 290 G HN 2.125 nan 8.290 nan 0.000 0.421 291 G N 2.634 111.412 108.800 -0.037 0.000 3.909 291 G HA2 -0.282 3.678 3.960 0.001 0.000 0.218 291 G HA3 -0.282 3.678 3.960 0.001 0.000 0.218 291 G C 0.465 175.332 174.900 -0.056 0.000 1.404 291 G CA 0.522 45.586 45.100 -0.059 0.000 0.905 291 G HN 0.811 nan 8.290 nan 0.000 0.589 292 E N -0.044 120.138 120.200 -0.029 0.000 2.343 292 E HA 0.564 4.915 4.350 0.001 0.000 0.269 292 E C 0.151 176.746 176.600 -0.009 0.000 1.047 292 E CA -0.322 56.072 56.400 -0.011 0.000 0.874 292 E CB 1.301 31.006 29.700 0.009 0.000 1.033 292 E HN 0.402 nan 8.360 nan 0.000 0.409 293 c N 4.271 122.871 118.600 0.001 0.000 3.089 293 c HA 0.227 4.798 4.570 0.001 0.000 0.548 293 c C -0.009 174.087 174.090 0.009 0.000 1.205 293 c CA -0.476 55.855 56.329 0.003 0.000 1.398 293 c CB -1.739 40.776 42.510 0.008 0.000 1.764 293 c HN 0.355 nan 8.230 nan 0.000 0.638 294 V N 5.353 125.271 119.914 0.007 0.000 3.032 294 V HA 0.121 4.242 4.120 0.001 0.000 0.307 294 V C -1.500 174.599 176.094 0.008 0.000 1.097 294 V CA -0.508 61.798 62.300 0.009 0.000 1.191 294 V CB 0.557 32.385 31.823 0.008 0.000 0.964 294 V HN 0.499 nan 8.190 nan 0.000 0.494 295 P HA 0.173 nan 4.420 nan 0.000 0.277 295 P C -0.882 176.422 177.300 0.007 0.000 1.240 295 P CA -0.582 62.522 63.100 0.007 0.000 0.798 295 P CB 0.566 32.270 31.700 0.007 0.000 0.979 296 c N 0.477 119.081 118.600 0.006 0.000 2.555 296 c HA 0.326 4.896 4.570 0.001 0.000 0.385 296 c C 1.520 175.613 174.090 0.005 0.000 1.296 296 c CA -0.399 55.933 56.329 0.006 0.000 1.757 296 c CB -1.600 40.913 42.510 0.005 0.000 2.445 296 c HN 0.698 nan 8.230 nan 0.000 0.571 297 N N 2.669 121.372 118.700 0.006 0.000 2.427 297 N HA 0.449 5.189 4.740 0.001 0.000 0.269 297 N C 1.099 176.611 175.510 0.004 0.000 1.235 297 N CA 0.883 53.936 53.050 0.005 0.000 0.934 297 N CB -0.090 38.401 38.487 0.006 0.000 1.121 297 N HN 1.612 nan 8.380 nan 0.000 0.480 298 G N 1.696 110.498 108.800 0.004 0.000 2.591 298 G HA2 -0.253 3.708 3.960 0.001 0.000 0.298 298 G HA3 -0.253 3.708 3.960 0.001 0.000 0.298 298 G C -1.761 173.140 174.900 0.002 0.000 1.195 298 G CA 0.285 45.386 45.100 0.003 0.000 0.989 298 G HN 0.980 nan 8.290 nan 0.000 0.551 299 P HA 0.428 nan 4.420 nan 0.000 0.269 299 P C -0.395 176.906 177.300 0.003 0.000 1.215 299 P CA -0.036 63.065 63.100 0.001 0.000 0.780 299 P CB 0.714 32.415 31.700 0.001 0.000 0.898 300 c N 3.547 122.148 118.600 0.002 0.000 2.281 300 c HA 0.337 4.907 4.570 0.001 0.000 0.325 300 c C -1.916 172.176 174.090 0.004 0.000 1.282 300 c CA -1.144 55.187 56.329 0.004 0.000 1.640 300 c CB 0.229 42.740 42.510 0.003 0.000 2.288 300 c HN 0.527 nan 8.230 nan 0.000 0.507 301 P HA 0.197 nan 4.420 nan 0.000 0.262 301 P C 0.127 177.431 177.300 0.008 0.000 1.182 301 P CA 0.540 63.646 63.100 0.009 0.000 0.761 301 P CB 0.250 31.959 31.700 0.015 0.000 0.795 302 K N 1.641 122.043 120.400 0.004 0.000 2.319 302 K HA 0.430 4.750 4.320 0.001 0.000 0.265 302 K C 0.389 176.992 176.600 0.005 0.000 1.000 302 K CA 0.025 56.311 56.287 -0.002 0.000 0.943 302 K CB 0.190 32.684 32.500 -0.010 0.000 0.950 302 K HN 0.575 nan 8.250 nan 0.000 0.485 303 T N -0.576 113.979 114.554 0.002 0.000 2.838 303 T HA 0.550 4.901 4.350 0.001 0.000 0.292 303 T C -1.389 173.314 174.700 0.004 0.000 1.113 303 T CA -0.370 61.740 62.100 0.017 0.000 1.008 303 T CB 1.100 69.984 68.868 0.026 0.000 1.259 303 T HN 0.752 nan 8.240 nan 0.000 0.520 304 c N 4.486 123.109 118.600 0.039 0.000 2.316 304 c HA 0.557 5.127 4.570 0.001 0.000 0.324 304 c C -2.404 171.734 174.090 0.079 0.000 1.226 304 c CA -1.509 54.829 56.329 0.016 0.000 1.450 304 c CB 0.550 43.113 42.510 0.088 0.000 2.123 304 c HN 0.602 nan 8.230 nan 0.000 0.454 305 P HA 0.181 nan 4.420 nan 0.000 0.271 305 P C 0.449 177.854 177.300 0.176 0.000 1.216 305 P CA 0.782 63.918 63.100 0.059 0.000 0.776 305 P CB 0.707 32.410 31.700 0.005 0.000 0.881 306 G N 1.832 110.741 108.800 0.182 0.000 2.664 306 G HA2 0.411 4.372 3.960 0.001 0.000 0.242 306 G HA3 0.411 4.372 3.960 0.001 0.000 0.242 306 G C -0.175 174.852 174.900 0.212 0.000 1.225 306 G CA -0.384 44.844 45.100 0.213 0.000 0.849 306 G HN 0.490 nan 8.290 nan 0.000 0.581 307 V N -1.786 118.256 119.914 0.213 0.000 2.864 307 V HA 0.644 4.764 4.120 0.001 0.000 0.314 307 V C 1.100 177.230 176.094 0.060 0.000 1.073 307 V CA 0.012 62.411 62.300 0.166 0.000 0.956 307 V CB 1.166 33.137 31.823 0.247 0.000 1.023 307 V HN 0.804 nan 8.190 nan 0.000 0.435 308 T N 1.490 116.080 114.554 0.059 0.000 2.737 308 T HA -0.009 4.342 4.350 0.001 0.000 0.265 308 T C 0.527 175.236 174.700 0.015 0.000 1.038 308 T CA 1.893 64.015 62.100 0.035 0.000 1.144 308 T CB 0.053 68.950 68.868 0.048 0.000 0.866 308 T HN 1.086 nan 8.240 nan 0.000 0.434 309 V N 1.174 121.106 119.914 0.030 0.000 2.841 309 V HA 0.672 4.792 4.120 0.001 0.000 0.310 309 V C -1.260 174.842 176.094 0.013 0.000 1.090 309 V CA -1.303 60.992 62.300 -0.008 0.000 0.930 309 V CB 1.893 33.679 31.823 -0.061 0.000 1.014 309 V HN 0.410 nan 8.190 nan 0.000 0.425 310 L N 7.024 128.216 121.223 -0.050 0.000 2.319 310 L HA 0.745 5.085 4.340 0.001 0.000 0.280 310 L C -0.277 176.581 176.870 -0.020 0.000 1.099 310 L CA 0.843 55.645 54.840 -0.064 0.000 0.828 310 L CB 0.501 42.498 42.059 -0.103 0.000 1.150 310 L HN 1.040 nan 8.230 nan 0.000 0.442 311 H N 2.532 121.654 119.070 0.087 0.000 2.933 311 H HA 0.649 5.205 4.556 0.001 0.000 0.310 311 H C 0.340 175.754 175.328 0.144 0.000 1.351 311 H CA -0.512 55.600 56.048 0.105 0.000 1.137 311 H CB 0.614 30.496 29.762 0.201 0.000 1.853 311 H HN 0.410 nan 8.280 nan 0.000 0.539 312 A N 0.081 123.135 122.820 0.390 0.000 2.125 312 A HA 0.025 4.346 4.320 0.001 0.000 0.219 312 A C 2.106 179.858 177.584 0.281 0.000 1.156 312 A CA 1.679 53.866 52.037 0.251 0.000 0.671 312 A CB -1.494 17.621 19.000 0.191 0.000 0.794 312 A HN 0.875 nan 8.150 nan 0.000 0.459 313 G N 0.656 109.841 108.800 0.642 0.000 2.426 313 G HA2 -0.157 3.804 3.960 0.001 0.000 0.214 313 G HA3 -0.157 3.804 3.960 0.001 0.000 0.214 313 G C 1.186 176.174 174.900 0.146 0.000 1.156 313 G CA 0.868 46.214 45.100 0.409 0.000 0.802 313 G HN 0.717 nan 8.290 nan 0.000 0.534 314 N N 0.293 118.950 118.700 -0.072 0.000 2.254 314 N HA 0.109 4.849 4.740 0.001 0.000 0.190 314 N C 1.932 177.463 175.510 0.035 0.000 1.107 314 N CA -0.185 52.817 53.050 -0.079 0.000 0.869 314 N CB 0.176 38.579 38.487 -0.139 0.000 0.983 314 N HN 0.343 nan 8.380 nan 0.000 0.487 315 I N 1.611 122.222 120.570 0.067 0.000 2.248 315 I HA -0.308 3.862 4.170 0.001 0.000 0.248 315 I C 1.215 177.366 176.117 0.057 0.000 1.107 315 I CA 1.621 62.997 61.300 0.126 0.000 1.373 315 I CB -0.003 38.009 38.000 0.020 0.000 1.055 315 I HN -0.080 nan 8.210 nan 0.000 0.418 316 D N 0.314 120.700 120.400 -0.023 0.000 2.149 316 D HA -0.183 4.458 4.640 0.001 0.000 0.198 316 D C 2.416 178.643 176.300 -0.122 0.000 0.990 316 D CA 1.683 55.641 54.000 -0.069 0.000 0.839 316 D CB -0.244 40.519 40.800 -0.062 0.000 0.948 316 D HN 0.496 nan 8.370 nan 0.000 0.460 317 S N -0.068 115.509 115.700 -0.205 0.000 2.420 317 S HA -0.204 4.266 4.470 0.001 0.000 0.237 317 S C 1.831 176.165 174.600 -0.443 0.000 1.023 317 S CA 0.809 58.790 58.200 -0.365 0.000 0.991 317 S CB -0.926 61.944 63.200 -0.550 0.000 0.792 317 S HN 0.243 nan 8.310 nan 0.000 0.488 318 F N 1.748 121.617 119.950 -0.135 0.000 2.811 318 F HA 0.320 4.847 4.527 0.001 0.000 0.301 318 F C 1.463 177.135 175.800 -0.213 0.000 1.151 318 F CA -0.365 57.532 58.000 -0.170 0.000 1.412 318 F CB -0.119 38.710 39.000 -0.285 0.000 1.113 318 F HN 0.070 nan 8.300 nan 0.000 0.579 319 R N 1.843 122.298 120.500 -0.075 0.000 2.484 319 R HA -0.083 4.257 4.340 0.001 0.000 0.293 319 R C 0.471 176.743 176.300 -0.047 0.000 1.023 319 R CA 0.397 56.447 56.100 -0.083 0.000 1.037 319 R CB -0.103 30.148 30.300 -0.083 0.000 0.951 319 R HN 0.187 nan 8.270 nan 0.000 0.418 320 N N 2.033 120.713 118.700 -0.034 0.000 2.818 320 N HA -0.163 4.578 4.740 0.001 0.000 0.250 320 N C -1.582 173.940 175.510 0.020 0.000 1.108 320 N CA 0.810 53.854 53.050 -0.010 0.000 0.745 320 N CB -1.490 36.986 38.487 -0.018 0.000 1.104 320 N HN 0.521 nan 8.380 nan 0.000 0.557 321 c N -0.336 118.297 118.600 0.055 0.000 2.388 321 c HA 0.489 5.059 4.570 0.001 0.000 0.362 321 c C 2.063 176.220 174.090 0.112 0.000 1.266 321 c CA -0.295 56.094 56.329 0.099 0.000 2.028 321 c CB 0.871 43.490 42.510 0.182 0.000 2.440 321 c HN 0.459 nan 8.230 nan 0.000 0.547 322 T N 0.714 115.326 114.554 0.095 0.000 3.010 322 T HA 0.069 4.420 4.350 0.001 0.000 0.252 322 T C 0.435 175.206 174.700 0.118 0.000 1.047 322 T CA 0.578 62.735 62.100 0.094 0.000 1.140 322 T CB 0.086 68.994 68.868 0.067 0.000 0.885 322 T HN 0.505 nan 8.240 nan 0.000 0.464 323 V N 2.118 122.105 119.914 0.121 0.000 2.483 323 V HA 0.453 4.574 4.120 0.001 0.000 0.297 323 V C -0.680 175.508 176.094 0.158 0.000 1.027 323 V CA -1.035 61.345 62.300 0.135 0.000 0.855 323 V CB 1.978 33.869 31.823 0.112 0.000 0.995 323 V HN 0.336 nan 8.190 nan 0.000 0.424 324 I N 4.196 124.875 120.570 0.181 0.000 2.301 324 I HA 0.263 4.433 4.170 0.001 0.000 0.292 324 I C -0.123 176.080 176.117 0.143 0.000 1.046 324 I CA -0.146 61.278 61.300 0.207 0.000 1.282 324 I CB 1.142 39.276 38.000 0.224 0.000 1.409 324 I HN 0.633 nan 8.210 nan 0.000 0.484 325 D N 6.103 126.579 120.400 0.128 0.000 2.264 325 D HA 0.560 5.200 4.640 0.001 0.000 0.250 325 D C 0.351 176.699 176.300 0.080 0.000 1.113 325 D CA 0.686 54.737 54.000 0.085 0.000 0.871 325 D CB 1.270 42.108 40.800 0.064 0.000 1.167 325 D HN 0.801 nan 8.370 nan 0.000 0.447 326 G N 3.316 112.141 108.800 0.041 0.000 2.500 326 G HA2 -0.071 3.890 3.960 0.001 0.000 0.209 326 G HA3 -0.071 3.890 3.960 0.001 0.000 0.209 326 G C -0.836 174.018 174.900 -0.078 0.000 1.283 326 G CA -0.239 44.859 45.100 -0.003 0.000 0.960 326 G HN 0.904 nan 8.290 nan 0.000 0.528 327 N N -1.110 117.481 118.700 -0.182 0.000 2.545 327 N HA 0.789 5.529 4.740 0.001 0.000 0.289 327 N C -0.841 174.512 175.510 -0.262 0.000 1.279 327 N CA -0.993 51.856 53.050 -0.334 0.000 0.824 327 N CB 1.299 39.289 38.487 -0.828 0.000 1.395 327 N HN 0.595 nan 8.380 nan 0.000 0.526 328 I N 0.301 120.684 120.570 -0.312 0.000 2.410 328 I HA 0.355 4.525 4.170 0.001 0.000 0.286 328 I C -0.512 175.468 176.117 -0.228 0.000 1.009 328 I CA -0.449 60.667 61.300 -0.307 0.000 1.111 328 I CB 1.022 38.748 38.000 -0.457 0.000 1.262 328 I HN 0.493 nan 8.210 nan 0.000 0.443 329 R N 6.756 127.160 120.500 -0.161 0.000 2.388 329 R HA 0.571 4.912 4.340 0.001 0.000 0.314 329 R C -0.342 175.886 176.300 -0.119 0.000 0.959 329 R CA -0.585 55.468 56.100 -0.079 0.000 0.851 329 R CB 2.405 32.693 30.300 -0.019 0.000 1.168 329 R HN 0.639 nan 8.270 nan 0.000 0.472 330 I N 1.991 122.491 120.570 -0.117 0.000 2.330 330 I HA 0.396 4.566 4.170 0.001 0.000 0.289 330 I C -1.258 174.775 176.117 -0.139 0.000 1.001 330 I CA -0.780 60.401 61.300 -0.199 0.000 1.193 330 I CB 0.664 38.492 38.000 -0.286 0.000 1.345 330 I HN 0.265 nan 8.210 nan 0.000 0.461 331 L N 5.758 126.868 121.223 -0.187 0.000 2.298 331 L HA 0.501 4.841 4.340 0.001 0.000 0.268 331 L C 1.075 177.884 176.870 -0.102 0.000 1.010 331 L CA -0.085 54.690 54.840 -0.107 0.000 0.812 331 L CB 1.015 42.994 42.059 -0.134 0.000 1.331 331 L HN 0.573 nan 8.230 nan 0.000 0.450 332 D N -0.386 120.011 120.400 -0.004 0.000 2.133 332 D HA -0.232 4.408 4.640 0.001 0.000 0.192 332 D C 1.806 178.115 176.300 0.016 0.000 1.001 332 D CA 1.781 55.827 54.000 0.077 0.000 0.844 332 D CB 0.108 40.945 40.800 0.062 0.000 0.944 332 D HN 0.660 nan 8.370 nan 0.000 0.447 333 Q N -0.174 119.563 119.800 -0.104 0.000 2.364 333 Q HA -0.096 4.244 4.340 0.001 0.000 0.207 333 Q C 1.590 177.546 176.000 -0.075 0.000 0.970 333 Q CA 1.259 56.983 55.803 -0.132 0.000 0.888 333 Q CB -0.414 28.079 28.738 -0.407 0.000 0.951 333 Q HN 0.101 nan 8.270 nan 0.000 0.469 334 T N 0.997 115.437 114.554 -0.190 0.000 2.652 334 T HA -0.110 4.240 4.350 0.001 0.000 0.267 334 T C 1.195 175.756 174.700 -0.232 0.000 1.039 334 T CA 1.718 63.662 62.100 -0.260 0.000 1.153 334 T CB -0.317 68.187 68.868 -0.607 0.000 0.863 334 T HN 0.394 nan 8.240 nan 0.000 0.428 335 F N 1.572 121.545 119.950 0.038 0.000 2.234 335 F HA -0.019 4.508 4.527 0.001 0.000 0.296 335 F C 2.915 178.787 175.800 0.120 0.000 1.089 335 F CA 0.806 58.856 58.000 0.084 0.000 1.343 335 F CB -0.400 38.685 39.000 0.142 0.000 1.040 335 F HN 0.156 nan 8.300 nan 0.000 0.498 336 S N -0.312 115.539 115.700 0.252 0.000 2.428 336 S HA 0.322 4.792 4.470 0.001 0.000 0.230 336 S C 1.260 175.960 174.600 0.167 0.000 1.014 336 S CA 0.326 58.634 58.200 0.180 0.000 0.957 336 S CB -0.754 62.523 63.200 0.127 0.000 0.784 336 S HN 0.576 nan 8.310 nan 0.000 0.499 337 G N 1.139 110.059 108.800 0.201 0.000 2.705 337 G HA2 0.173 4.134 3.960 0.001 0.000 0.686 337 G HA3 0.173 4.134 3.960 0.001 0.000 0.686 337 G C -0.714 174.362 174.900 0.292 0.000 1.285 337 G CA -0.535 44.701 45.100 0.227 0.000 0.800 337 G HN 1.389 nan 8.290 nan 0.000 0.611 338 F N -1.614 118.311 119.950 -0.042 0.000 2.713 338 F HA 0.806 5.333 4.527 0.001 0.000 0.311 338 F C -0.575 175.224 175.800 -0.003 0.000 1.141 338 F CA -1.298 56.657 58.000 -0.075 0.000 0.939 338 F CB 1.449 40.348 39.000 -0.169 0.000 1.325 338 F HN 0.779 nan 8.300 nan 0.000 0.453 339 Q N 1.756 121.531 119.800 -0.041 0.000 2.340 339 Q HA 0.278 4.619 4.340 0.001 0.000 0.249 339 Q C -1.281 174.630 176.000 -0.148 0.000 0.957 339 Q CA 0.011 55.759 55.803 -0.092 0.000 0.882 339 Q CB 0.969 29.693 28.738 -0.023 0.000 1.235 339 Q HN 0.660 nan 8.270 nan 0.000 0.439 340 D N 1.478 121.815 120.400 -0.105 0.000 2.217 340 D HA 0.453 5.093 4.640 0.001 0.000 0.248 340 D C -1.366 174.830 176.300 -0.173 0.000 1.008 340 D CA -0.472 53.478 54.000 -0.083 0.000 0.914 340 D CB 1.444 42.312 40.800 0.112 0.000 1.182 340 D HN 0.338 nan 8.370 nan 0.000 0.451 341 V N 3.291 123.117 119.914 -0.147 0.000 2.495 341 V HA 0.317 4.438 4.120 0.001 0.000 0.298 341 V C -0.249 175.718 176.094 -0.213 0.000 1.031 341 V CA -0.868 61.307 62.300 -0.209 0.000 0.871 341 V CB 0.739 32.482 31.823 -0.133 0.000 0.988 341 V HN 0.470 nan 8.190 nan 0.000 0.432 342 Y N 1.793 122.056 120.300 -0.062 0.000 2.385 342 Y HA 0.263 4.814 4.550 0.001 0.000 0.346 342 Y C 1.773 177.570 175.900 -0.172 0.000 1.270 342 Y CA 0.169 58.224 58.100 -0.075 0.000 1.472 342 Y CB 0.612 39.048 38.460 -0.041 0.000 1.354 342 Y HN 0.699 nan 8.280 nan 0.000 0.611 343 A N 0.993 123.838 122.820 0.042 0.000 2.121 343 A HA -0.196 4.124 4.320 0.001 0.000 0.218 343 A C 1.604 179.162 177.584 -0.043 0.000 1.154 343 A CA 1.410 53.388 52.037 -0.098 0.000 0.679 343 A CB -0.728 18.260 19.000 -0.020 0.000 0.795 343 A HN 0.855 nan 8.150 nan 0.000 0.458 344 N N -1.192 117.550 118.700 0.070 0.000 2.453 344 N HA -0.125 4.615 4.740 0.001 0.000 0.183 344 N C -0.352 175.362 175.510 0.341 0.000 1.041 344 N CA 0.950 54.100 53.050 0.167 0.000 0.900 344 N CB -0.664 37.894 38.487 0.119 0.000 0.961 344 N HN 0.523 nan 8.380 nan 0.000 0.443 345 Y N -1.150 119.192 120.300 0.070 0.000 3.568 345 Y HA -0.246 4.304 4.550 0.001 0.000 0.220 345 Y C 0.437 176.373 175.900 0.060 0.000 1.319 345 Y CA 0.596 58.727 58.100 0.050 0.000 1.629 345 Y CB -2.668 35.805 38.460 0.022 0.000 1.515 345 Y HN 0.044 nan 8.280 nan 0.000 0.613 346 T N 0.866 115.533 114.554 0.190 0.000 2.867 346 T HA 0.621 4.971 4.350 0.001 0.000 0.282 346 T C 0.531 175.294 174.700 0.105 0.000 1.000 346 T CA -0.921 61.280 62.100 0.169 0.000 1.042 346 T CB 0.502 69.497 68.868 0.213 0.000 0.973 346 T HN 0.180 nan 8.240 nan 0.000 0.465 347 M N 3.791 123.414 119.600 0.038 0.000 2.248 347 M HA 0.262 4.743 4.480 0.001 0.000 0.345 347 M C 1.174 177.336 176.300 -0.229 0.000 1.243 347 M CA 0.102 55.356 55.300 -0.077 0.000 1.090 347 M CB 0.208 32.786 32.600 -0.036 0.000 1.683 347 M HN 0.920 nan 8.290 nan 0.000 0.450 348 G N 4.455 112.945 108.800 -0.517 0.000 2.945 348 G HA2 0.657 4.618 3.960 0.001 0.000 0.156 348 G HA3 0.657 4.618 3.960 0.001 0.000 0.156 348 G C -2.650 172.010 174.900 -0.401 0.000 1.375 348 G CA -0.504 44.020 45.100 -0.960 0.000 1.039 348 G HN 0.485 nan 8.290 nan 0.000 0.586 349 P HA 0.339 nan 4.420 nan 0.000 0.286 349 P C -0.717 176.372 177.300 -0.352 0.000 1.261 349 P CA -0.560 62.357 63.100 -0.305 0.000 0.821 349 P CB 1.719 33.208 31.700 -0.352 0.000 1.013 350 R N 2.252 122.590 120.500 -0.270 0.000 2.539 350 R HA 0.300 4.641 4.340 0.001 0.000 0.275 350 R C -0.738 175.364 176.300 -0.329 0.000 1.077 350 R CA -0.174 55.808 56.100 -0.196 0.000 1.097 350 R CB 0.191 30.424 30.300 -0.111 0.000 1.018 350 R HN 0.441 nan 8.270 nan 0.000 0.483 351 Y N 4.755 124.823 120.300 -0.387 0.000 2.335 351 Y HA 0.262 4.812 4.550 0.001 0.000 0.338 351 Y C 0.534 176.343 175.900 -0.152 0.000 0.977 351 Y CA -1.286 56.621 58.100 -0.323 0.000 1.114 351 Y CB 1.157 39.255 38.460 -0.602 0.000 1.182 351 Y HN 0.473 nan 8.280 nan 0.000 0.463 352 I N 1.543 122.139 120.570 0.042 0.000 2.938 352 I HA 0.352 4.522 4.170 0.001 0.000 0.285 352 I C -2.557 173.624 176.117 0.106 0.000 1.182 352 I CA -2.211 59.121 61.300 0.055 0.000 1.388 352 I CB 0.136 38.157 38.000 0.034 0.000 1.390 352 I HN 0.287 nan 8.210 nan 0.000 0.600 353 P HA 0.131 nan 4.420 nan 0.000 0.266 353 P C -0.637 176.753 177.300 0.149 0.000 1.195 353 P CA -0.046 63.144 63.100 0.150 0.000 0.768 353 P CB 0.531 32.321 31.700 0.150 0.000 0.838 354 L N 2.934 124.257 121.223 0.166 0.000 2.334 354 L HA 0.290 4.630 4.340 0.001 0.000 0.277 354 L C 0.420 177.405 176.870 0.193 0.000 1.075 354 L CA -0.372 54.545 54.840 0.129 0.000 0.804 354 L CB 0.850 42.928 42.059 0.032 0.000 1.174 354 L HN 0.316 nan 8.230 nan 0.000 0.438 355 D N 5.000 125.462 120.400 0.103 0.000 2.233 355 D HA 0.228 4.868 4.640 0.001 0.000 0.240 355 D C -1.830 174.463 176.300 -0.013 0.000 1.074 355 D CA -1.845 52.187 54.000 0.053 0.000 0.838 355 D CB 2.259 43.083 40.800 0.039 0.000 1.124 355 D HN 0.239 nan 8.370 nan 0.000 0.475 356 P HA -0.153 nan 4.420 nan 0.000 0.218 356 P C 1.061 178.290 177.300 -0.119 0.000 1.146 356 P CA 1.520 64.546 63.100 -0.123 0.000 0.813 356 P CB 0.181 31.762 31.700 -0.198 0.000 0.778 357 E N 0.724 120.910 120.200 -0.024 0.000 2.209 357 E HA -0.238 4.112 4.350 0.001 0.000 0.196 357 E C 1.952 178.536 176.600 -0.026 0.000 0.993 357 E CA 1.251 57.673 56.400 0.038 0.000 0.819 357 E CB -1.298 28.425 29.700 0.039 0.000 0.745 357 E HN 0.390 nan 8.360 nan 0.000 0.477 358 R N -0.664 119.788 120.500 -0.079 0.000 2.276 358 R HA 0.206 4.546 4.340 0.001 0.000 0.203 358 R C 2.186 178.376 176.300 -0.183 0.000 1.017 358 R CA 0.603 56.644 56.100 -0.099 0.000 1.010 358 R CB -0.162 30.098 30.300 -0.067 0.000 0.900 358 R HN 0.390 nan 8.270 nan 0.000 0.469 359 L N 0.917 121.947 121.223 -0.323 0.000 2.622 359 L HA -0.055 4.286 4.340 0.001 0.000 0.233 359 L C 1.899 178.620 176.870 -0.249 0.000 1.156 359 L CA 0.423 55.019 54.840 -0.406 0.000 0.866 359 L CB -0.215 41.288 42.059 -0.927 0.000 0.980 359 L HN 0.052 nan 8.230 nan 0.000 0.448 360 E N 0.209 120.352 120.200 -0.094 0.000 2.267 360 E HA -0.157 4.193 4.350 0.001 0.000 0.197 360 E C 2.284 178.843 176.600 -0.069 0.000 0.998 360 E CA 0.784 57.224 56.400 0.067 0.000 0.830 360 E CB -0.076 29.666 29.700 0.070 0.000 0.751 360 E HN 0.323 nan 8.360 nan 0.000 0.491 361 V N 0.492 120.272 119.914 -0.224 0.000 2.370 361 V HA -0.267 3.853 4.120 0.001 0.000 0.252 361 V C 1.841 177.718 176.094 -0.362 0.000 1.068 361 V CA 1.698 63.792 62.300 -0.342 0.000 1.061 361 V CB -0.690 30.816 31.823 -0.530 0.000 0.656 361 V HN 0.232 nan 8.190 nan 0.000 0.455 362 F N 0.777 120.609 119.950 -0.196 0.000 2.802 362 F HA -0.060 4.467 4.527 0.001 0.000 0.300 362 F C 2.486 178.163 175.800 -0.206 0.000 1.168 362 F CA 0.740 58.571 58.000 -0.281 0.000 1.433 362 F CB -0.579 37.943 39.000 -0.798 0.000 1.115 362 F HN 0.257 nan 8.300 nan 0.000 0.582 363 S N -0.778 114.917 115.700 -0.009 0.000 2.442 363 S HA -0.216 4.255 4.470 0.001 0.000 0.236 363 S C 2.103 176.718 174.600 0.024 0.000 1.007 363 S CA 1.466 59.668 58.200 0.004 0.000 0.965 363 S CB -1.148 62.054 63.200 0.003 0.000 0.773 363 S HN 0.502 nan 8.310 nan 0.000 0.504 364 T N -0.127 114.443 114.554 0.027 0.000 3.023 364 T HA 0.170 4.520 4.350 0.001 0.000 0.266 364 T C 0.665 175.413 174.700 0.080 0.000 1.093 364 T CA 0.174 62.297 62.100 0.039 0.000 1.129 364 T CB -0.767 68.115 68.868 0.023 0.000 0.899 364 T HN 0.183 nan 8.240 nan 0.000 0.491 365 V N 2.402 122.396 119.914 0.134 0.000 2.599 365 V HA 0.160 4.280 4.120 0.001 0.000 0.300 365 V C 1.152 177.342 176.094 0.160 0.000 1.034 365 V CA 0.402 62.821 62.300 0.198 0.000 1.115 365 V CB 0.892 32.930 31.823 0.357 0.000 0.934 365 V HN 0.481 nan 8.190 nan 0.000 0.485 366 K N 2.562 123.037 120.400 0.126 0.000 2.367 366 K HA 0.291 4.612 4.320 0.001 0.000 0.198 366 K C 0.148 176.787 176.600 0.066 0.000 1.132 366 K CA 0.190 56.527 56.287 0.082 0.000 0.941 366 K CB 0.783 33.323 32.500 0.065 0.000 1.052 366 K HN 0.710 nan 8.250 nan 0.000 0.507 367 E N 0.658 120.911 120.200 0.089 0.000 2.317 367 E HA 0.440 4.790 4.350 0.001 0.000 0.270 367 E C -1.238 175.417 176.600 0.092 0.000 0.885 367 E CA -0.513 55.926 56.400 0.066 0.000 0.760 367 E CB 2.909 32.691 29.700 0.136 0.000 1.227 367 E HN -0.032 nan 8.360 nan 0.000 0.434 368 I N 1.914 122.510 120.570 0.044 0.000 2.439 368 I HA 0.113 4.283 4.170 0.001 0.000 0.285 368 I C 1.128 177.315 176.117 0.116 0.000 1.021 368 I CA -0.261 61.066 61.300 0.045 0.000 1.091 368 I CB 1.812 39.774 38.000 -0.064 0.000 1.242 368 I HN 0.699 nan 8.210 nan 0.000 0.439 369 T N 1.165 115.818 114.554 0.164 0.000 2.985 369 T HA 0.082 4.432 4.350 0.001 0.000 0.266 369 T C 1.123 175.904 174.700 0.134 0.000 1.076 369 T CA 0.632 62.859 62.100 0.212 0.000 1.135 369 T CB 0.093 69.030 68.868 0.114 0.000 0.890 369 T HN 0.626 nan 8.240 nan 0.000 0.480 370 G N 1.014 109.837 108.800 0.037 0.000 3.137 370 G HA2 0.527 4.487 3.960 0.001 0.000 0.163 370 G HA3 0.527 4.487 3.960 0.001 0.000 0.163 370 G C -0.546 174.362 174.900 0.013 0.000 1.602 370 G CA -0.627 44.456 45.100 -0.029 0.000 1.067 370 G HN 0.615 nan 8.290 nan 0.000 0.568 371 Y N -1.869 118.431 120.300 -0.001 0.000 2.549 371 Y HA 0.769 5.320 4.550 0.001 0.000 0.339 371 Y C -0.931 174.911 175.900 -0.096 0.000 1.053 371 Y CA -2.136 55.942 58.100 -0.037 0.000 1.105 371 Y CB 1.563 40.009 38.460 -0.024 0.000 1.258 371 Y HN 0.373 nan 8.280 nan 0.000 0.478 372 L N 3.527 124.818 121.223 0.113 0.000 2.287 372 L HA 0.524 4.864 4.340 0.001 0.000 0.287 372 L C -1.383 175.531 176.870 0.072 0.000 1.022 372 L CA -0.477 54.332 54.840 -0.050 0.000 0.814 372 L CB 0.769 42.685 42.059 -0.237 0.000 1.217 372 L HN 0.861 nan 8.230 nan 0.000 0.420 373 N N 5.199 123.947 118.700 0.080 0.000 2.442 373 N HA 0.510 5.250 4.740 0.001 0.000 0.274 373 N C -1.600 173.931 175.510 0.035 0.000 1.002 373 N CA -0.246 52.851 53.050 0.079 0.000 0.910 373 N CB 0.954 39.542 38.487 0.169 0.000 1.244 373 N HN 0.566 nan 8.380 nan 0.000 0.492 374 I N 2.898 123.505 120.570 0.061 0.000 2.411 374 I HA 0.294 4.464 4.170 0.001 0.000 0.284 374 I C 0.437 176.653 176.117 0.165 0.000 1.012 374 I CA -0.145 61.244 61.300 0.147 0.000 1.119 374 I CB 1.628 39.767 38.000 0.231 0.000 1.261 374 I HN 0.602 nan 8.210 nan 0.000 0.448 375 E N 3.648 123.946 120.200 0.164 0.000 2.606 375 E HA 0.179 4.529 4.350 0.001 0.000 0.224 375 E C 0.929 177.660 176.600 0.218 0.000 0.930 375 E CA -0.328 56.161 56.400 0.147 0.000 1.125 375 E CB 1.105 30.844 29.700 0.065 0.000 1.123 375 E HN 0.701 nan 8.360 nan 0.000 0.522 376 G N 1.185 110.175 108.800 0.318 0.000 2.491 376 G HA2 0.201 4.161 3.960 0.001 0.000 0.242 376 G HA3 0.201 4.161 3.960 0.001 0.000 0.242 376 G C -0.444 174.816 174.900 0.599 0.000 1.266 376 G CA 0.247 45.626 45.100 0.464 0.000 0.844 376 G HN -0.053 nan 8.290 nan 0.000 0.571 377 T N 0.449 115.298 114.554 0.491 0.000 2.841 377 T HA 0.534 4.884 4.350 0.001 0.000 0.285 377 T C -1.283 173.543 174.700 0.211 0.000 0.991 377 T CA -0.577 61.715 62.100 0.321 0.000 0.966 377 T CB 0.759 69.749 68.868 0.203 0.000 0.962 377 T HN 0.731 nan 8.240 nan 0.000 0.438 378 H N 4.232 123.287 119.070 -0.024 0.000 3.140 378 H HA 0.278 4.835 4.556 0.001 0.000 0.336 378 H C -2.706 172.575 175.328 -0.078 0.000 1.142 378 H CA -1.213 54.734 56.048 -0.167 0.000 1.308 378 H CB 2.248 31.619 29.762 -0.652 0.000 1.970 378 H HN 0.320 nan 8.280 nan 0.000 0.521 379 P HA -0.105 nan 4.420 nan 0.000 0.217 379 P C 0.549 177.948 177.300 0.165 0.000 1.148 379 P CA 1.559 64.703 63.100 0.073 0.000 0.828 379 P CB 0.372 32.040 31.700 -0.053 0.000 0.783 380 Q N -2.637 117.412 119.800 0.415 0.000 2.247 380 Q HA 0.160 4.500 4.340 0.001 0.000 0.211 380 Q C 0.240 176.270 176.000 0.050 0.000 0.861 380 Q CA -0.336 55.536 55.803 0.116 0.000 0.949 380 Q CB -0.016 28.767 28.738 0.076 0.000 1.115 380 Q HN 0.261 nan 8.270 nan 0.000 0.507 381 F N 1.637 121.489 119.950 -0.162 0.000 2.605 381 F HA 0.223 4.750 4.527 0.001 0.000 0.352 381 F C 0.869 176.657 175.800 -0.020 0.000 1.236 381 F CA -0.363 57.545 58.000 -0.153 0.000 1.267 381 F CB 0.075 38.819 39.000 -0.427 0.000 1.632 381 F HN -0.086 nan 8.300 nan 0.000 0.639 382 R N 1.586 121.981 120.500 -0.175 0.000 2.103 382 R HA 0.086 4.427 4.340 0.001 0.000 0.212 382 R C 0.183 176.350 176.300 -0.220 0.000 1.107 382 R CA 0.582 56.516 56.100 -0.276 0.000 1.025 382 R CB 0.028 30.113 30.300 -0.358 0.000 0.929 382 R HN 0.512 nan 8.270 nan 0.000 0.456 383 N N -0.793 117.790 118.700 -0.196 0.000 2.815 383 N HA 0.177 4.917 4.740 0.001 0.000 0.315 383 N C -0.422 174.989 175.510 -0.165 0.000 1.320 383 N CA -0.651 52.308 53.050 -0.152 0.000 0.846 383 N CB 0.562 38.983 38.487 -0.110 0.000 1.344 383 N HN -0.157 nan 8.380 nan 0.000 0.593 384 L N 0.298 121.468 121.223 -0.090 0.000 3.289 384 L HA 0.346 4.686 4.340 0.001 0.000 0.291 384 L C 0.813 177.663 176.870 -0.032 0.000 1.279 384 L CA 0.108 54.995 54.840 0.077 0.000 1.025 384 L CB -0.821 41.348 42.059 0.184 0.000 1.413 384 L HN 0.780 nan 8.230 nan 0.000 0.593 385 S N -1.950 113.558 115.700 -0.321 0.000 2.474 385 S HA -0.192 4.279 4.470 0.001 0.000 0.235 385 S C 1.676 176.105 174.600 -0.286 0.000 0.997 385 S CA 0.748 58.773 58.200 -0.290 0.000 0.949 385 S CB -0.688 62.329 63.200 -0.305 0.000 0.766 385 S HN 0.495 nan 8.310 nan 0.000 0.517 386 Y N 0.757 121.046 120.300 -0.020 0.000 2.315 386 Y HA 0.033 4.584 4.550 0.001 0.000 0.288 386 Y C 1.355 177.034 175.900 -0.368 0.000 1.154 386 Y CA 0.240 58.232 58.100 -0.180 0.000 1.229 386 Y CB -1.093 37.237 38.460 -0.216 0.000 0.980 386 Y HN 0.318 nan 8.280 nan 0.000 0.540 387 F N 0.755 120.782 119.950 0.129 0.000 2.660 387 F HA 0.221 4.748 4.527 0.001 0.000 0.297 387 F C 1.774 177.536 175.800 -0.064 0.000 1.132 387 F CA -0.592 57.426 58.000 0.031 0.000 1.372 387 F CB -0.186 38.801 39.000 -0.022 0.000 1.003 387 F HN 0.018 nan 8.300 nan 0.000 0.524 388 R N -0.516 119.993 120.500 0.014 0.000 2.193 388 R HA -0.128 4.213 4.340 0.001 0.000 0.229 388 R C 0.617 176.890 176.300 -0.045 0.000 1.110 388 R CA 1.819 57.885 56.100 -0.056 0.000 0.988 388 R CB -0.671 29.585 30.300 -0.073 0.000 0.871 388 R HN 0.261 nan 8.270 nan 0.000 0.458 389 N N 0.253 118.956 118.700 0.005 0.000 2.254 389 N HA 0.089 4.829 4.740 0.001 0.000 0.190 389 N C -0.440 175.087 175.510 0.029 0.000 1.107 389 N CA -0.393 52.661 53.050 0.008 0.000 0.869 389 N CB 0.440 38.937 38.487 0.017 0.000 0.983 389 N HN 0.050 nan 8.380 nan 0.000 0.487 390 L N 2.018 123.281 121.223 0.068 0.000 2.513 390 L HA 0.026 4.367 4.340 0.001 0.000 0.272 390 L C 0.927 177.777 176.870 -0.032 0.000 1.187 390 L CA 0.682 55.558 54.840 0.059 0.000 0.895 390 L CB 0.507 42.636 42.059 0.116 0.000 1.147 390 L HN 0.269 nan 8.230 nan 0.000 0.483 391 E N 1.717 121.898 120.200 -0.031 0.000 2.421 391 E HA 0.170 4.520 4.350 0.001 0.000 0.209 391 E C -0.118 176.444 176.600 -0.064 0.000 0.871 391 E CA 0.400 56.771 56.400 -0.048 0.000 1.064 391 E CB 0.231 29.917 29.700 -0.023 0.000 1.075 391 E HN 0.640 nan 8.360 nan 0.000 0.513 392 T N -0.470 114.024 114.554 -0.100 0.000 2.912 392 T HA 0.647 4.997 4.350 0.001 0.000 0.299 392 T C -0.705 173.856 174.700 -0.231 0.000 1.052 392 T CA -0.813 61.178 62.100 -0.181 0.000 0.996 392 T CB 1.690 70.385 68.868 -0.288 0.000 1.070 392 T HN 0.077 nan 8.240 nan 0.000 0.465 393 I N 2.837 123.297 120.570 -0.184 0.000 2.355 393 I HA 0.331 4.501 4.170 0.001 0.000 0.288 393 I C 0.872 176.918 176.117 -0.119 0.000 0.999 393 I CA -0.843 60.380 61.300 -0.128 0.000 1.163 393 I CB 1.311 39.280 38.000 -0.053 0.000 1.316 393 I HN 0.860 nan 8.210 nan 0.000 0.454 394 H N 4.429 123.527 119.070 0.046 0.000 2.436 394 H HA 0.046 4.603 4.556 0.001 0.000 0.294 394 H C 1.674 177.051 175.328 0.081 0.000 1.048 394 H CA 1.069 57.157 56.048 0.068 0.000 1.353 394 H CB 0.221 30.026 29.762 0.070 0.000 1.414 394 H HN 0.923 nan 8.280 nan 0.000 0.536 395 G N 0.766 109.675 108.800 0.183 0.000 2.249 395 G HA2 -0.383 3.578 3.960 0.001 0.000 0.273 395 G HA3 -0.383 3.578 3.960 0.001 0.000 0.273 395 G C 1.015 176.028 174.900 0.189 0.000 1.036 395 G CA 0.553 45.749 45.100 0.160 0.000 0.824 395 G HN 0.423 nan 8.290 nan 0.000 0.504 396 R N -0.720 119.913 120.500 0.223 0.000 2.280 396 R HA 0.085 4.425 4.340 0.001 0.000 0.207 396 R C 1.185 177.614 176.300 0.215 0.000 1.043 396 R CA 1.284 57.529 56.100 0.242 0.000 1.006 396 R CB 0.252 30.651 30.300 0.165 0.000 0.885 396 R HN 0.591 nan 8.270 nan 0.000 0.467 397 Q N 0.464 120.391 119.800 0.211 0.000 2.268 397 Q HA 0.261 4.601 4.340 0.001 0.000 0.266 397 Q C -1.746 174.485 176.000 0.384 0.000 1.006 397 Q CA -0.661 55.286 55.803 0.242 0.000 0.824 397 Q CB 1.371 30.210 28.738 0.167 0.000 1.306 397 Q HN -0.075 nan 8.270 nan 0.000 0.424 398 L N 2.196 123.617 121.223 0.331 0.000 2.335 398 L HA 0.611 4.952 4.340 0.001 0.000 0.268 398 L C -0.266 176.564 176.870 -0.067 0.000 1.016 398 L CA -0.585 54.386 54.840 0.219 0.000 0.805 398 L CB 1.654 43.837 42.059 0.205 0.000 1.311 398 L HN 0.772 nan 8.230 nan 0.000 0.456 399 M N 1.411 120.718 119.600 -0.489 0.000 2.253 399 M HA 0.396 4.877 4.480 0.001 0.000 0.314 399 M C -1.025 175.006 176.300 -0.449 0.000 1.019 399 M CA -0.081 54.789 55.300 -0.716 0.000 0.932 399 M CB 1.103 32.857 32.600 -1.411 0.000 1.606 399 M HN 0.654 nan 8.290 nan 0.000 0.430 400 E N 1.049 121.025 120.200 -0.374 0.000 9.238 400 E HA -0.167 4.183 4.350 0.001 0.000 0.434 400 E C 0.408 176.639 176.600 -0.616 0.000 1.429 400 E CA 1.058 57.219 56.400 -0.399 0.000 2.485 400 E CB -0.569 28.916 29.700 -0.358 0.000 1.045 400 E HN 0.994 nan 8.360 nan 0.000 0.377 401 S N -0.631 114.707 115.700 -0.604 0.000 2.474 401 S HA -0.154 4.316 4.470 0.001 0.000 0.235 401 S C 1.734 175.842 174.600 -0.819 0.000 0.997 401 S CA 1.593 59.311 58.200 -0.804 0.000 0.949 401 S CB -0.091 62.825 63.200 -0.474 0.000 0.766 401 S HN 0.439 nan 8.310 nan 0.000 0.517 402 M N 0.852 120.087 119.600 -0.609 0.000 2.358 402 M HA 0.227 4.708 4.480 0.001 0.000 0.264 402 M C -0.284 175.918 176.300 -0.163 0.000 1.064 402 M CA 0.378 55.366 55.300 -0.520 0.000 1.093 402 M CB -1.074 31.163 32.600 -0.605 0.000 1.401 402 M HN 0.310 nan 8.290 nan 0.000 0.440 403 F N -0.853 119.010 119.950 -0.143 0.000 2.983 403 F HA -0.228 4.300 4.527 0.001 0.000 0.288 403 F C 0.289 176.049 175.800 -0.067 0.000 0.980 403 F CA 0.015 57.970 58.000 -0.076 0.000 0.965 403 F CB -2.362 36.633 39.000 -0.008 0.000 0.967 403 F HN 0.205 nan 8.300 nan 0.000 0.800 404 A N 0.362 123.151 122.820 -0.052 0.000 2.328 404 A HA 0.767 5.087 4.320 0.001 0.000 0.284 404 A C 0.973 178.517 177.584 -0.067 0.000 1.160 404 A CA 0.147 52.144 52.037 -0.067 0.000 0.818 404 A CB 1.114 20.011 19.000 -0.171 0.000 1.087 404 A HN 0.836 nan 8.150 nan 0.000 0.504 405 A N 2.461 125.289 122.820 0.013 0.000 1.975 405 A HA 0.362 4.683 4.320 0.001 0.000 0.215 405 A C 0.697 178.312 177.584 0.052 0.000 1.170 405 A CA 0.714 52.793 52.037 0.069 0.000 0.656 405 A CB 0.052 19.090 19.000 0.064 0.000 0.821 405 A HN 0.831 nan 8.150 nan 0.000 0.449 406 L N 0.221 121.430 121.223 -0.023 0.000 2.406 406 L HA 0.655 4.996 4.340 0.001 0.000 0.270 406 L C -1.241 175.574 176.870 -0.091 0.000 0.982 406 L CA -0.556 54.255 54.840 -0.048 0.000 0.843 406 L CB 1.612 43.627 42.059 -0.073 0.000 1.225 406 L HN 0.170 nan 8.230 nan 0.000 0.412 407 A N 6.493 129.268 122.820 -0.074 0.000 2.319 407 A HA 0.745 5.065 4.320 0.001 0.000 0.310 407 A C -0.962 176.602 177.584 -0.034 0.000 1.152 407 A CA -0.397 51.588 52.037 -0.087 0.000 0.783 407 A CB 0.945 19.861 19.000 -0.139 0.000 1.184 407 A HN 0.678 nan 8.150 nan 0.000 0.474 408 I N 3.452 124.012 120.570 -0.018 0.000 2.437 408 I HA 0.362 4.532 4.170 0.001 0.000 0.279 408 I C -0.972 175.169 176.117 0.040 0.000 1.028 408 I CA -0.549 60.773 61.300 0.037 0.000 1.142 408 I CB 1.775 39.812 38.000 0.062 0.000 1.266 408 I HN 0.304 nan 8.210 nan 0.000 0.461 409 V N 6.089 126.034 119.914 0.050 0.000 2.483 409 V HA 0.313 4.433 4.120 0.001 0.000 0.297 409 V C 0.333 176.476 176.094 0.082 0.000 1.027 409 V CA -1.027 61.305 62.300 0.053 0.000 0.855 409 V CB 1.582 33.413 31.823 0.013 0.000 0.995 409 V HN 0.737 nan 8.190 nan 0.000 0.424 410 K N 1.491 121.952 120.400 0.103 0.000 3.012 410 K HA -0.184 4.137 4.320 0.001 0.000 0.259 410 K C 0.596 177.274 176.600 0.130 0.000 0.989 410 K CA 0.812 57.163 56.287 0.107 0.000 0.728 410 K CB -1.024 31.518 32.500 0.070 0.000 1.260 410 K HN 0.906 nan 8.250 nan 0.000 0.480 411 S N -0.665 115.125 115.700 0.151 0.000 2.632 411 S HA 0.264 4.735 4.470 0.001 0.000 0.267 411 S C 1.222 175.928 174.600 0.176 0.000 1.276 411 S CA -0.208 58.118 58.200 0.210 0.000 0.998 411 S CB 1.732 65.068 63.200 0.226 0.000 0.953 411 S HN 0.329 nan 8.310 nan 0.000 0.547 412 S N 0.782 116.608 115.700 0.210 0.000 2.650 412 S HA 0.189 4.660 4.470 0.001 0.000 0.219 412 S C 0.523 175.216 174.600 0.156 0.000 0.960 412 S CA -0.516 57.792 58.200 0.181 0.000 0.925 412 S CB -0.904 62.415 63.200 0.198 0.000 0.775 412 S HN 0.616 nan 8.310 nan 0.000 0.525 413 L N 1.264 122.518 121.223 0.052 0.000 2.483 413 L HA 0.136 4.476 4.340 0.001 0.000 0.276 413 L C 1.100 178.133 176.870 0.273 0.000 1.213 413 L CA -0.190 54.659 54.840 0.016 0.000 0.843 413 L CB 0.167 42.191 42.059 -0.060 0.000 1.107 413 L HN 0.195 nan 8.230 nan 0.000 0.487 414 Y N -0.147 120.135 120.300 -0.030 0.000 2.559 414 Y HA 0.086 4.636 4.550 0.001 0.000 0.279 414 Y C 1.186 177.158 175.900 0.120 0.000 1.117 414 Y CA -0.178 57.942 58.100 0.033 0.000 1.263 414 Y CB 0.423 38.900 38.460 0.030 0.000 1.230 414 Y HN 0.653 nan 8.280 nan 0.000 0.528 415 S N -1.355 114.522 115.700 0.295 0.000 2.618 415 S HA 0.447 4.918 4.470 0.001 0.000 0.277 415 S C 0.241 174.949 174.600 0.182 0.000 1.138 415 S CA -0.748 57.638 58.200 0.310 0.000 0.844 415 S CB 1.338 64.721 63.200 0.305 0.000 1.127 415 S HN 0.057 nan 8.310 nan 0.000 0.474 416 L N 0.466 121.822 121.223 0.223 0.000 2.049 416 L HA 0.159 4.499 4.340 0.001 0.000 0.203 416 L C 0.944 177.876 176.870 0.104 0.000 1.074 416 L CA 0.888 55.864 54.840 0.227 0.000 0.749 416 L CB -0.734 41.611 42.059 0.477 0.000 0.907 416 L HN 0.829 nan 8.230 nan 0.000 0.439 417 E N -1.134 119.125 120.200 0.098 0.000 3.673 417 E HA -0.245 4.106 4.350 0.001 0.000 0.309 417 E C 0.337 176.862 176.600 -0.124 0.000 0.819 417 E CA 0.949 57.343 56.400 -0.011 0.000 1.111 417 E CB -1.710 27.953 29.700 -0.063 0.000 1.561 417 E HN 0.517 nan 8.360 nan 0.000 0.450 418 M N 1.189 120.609 119.600 -0.300 0.000 3.436 418 M HA 0.151 4.631 4.480 0.001 0.000 0.240 418 M C 1.451 177.173 176.300 -0.964 0.000 1.469 418 M CA 0.243 55.194 55.300 -0.582 0.000 1.622 418 M CB -0.182 31.990 32.600 -0.714 0.000 1.098 418 M HN 0.001 nan 8.290 nan 0.000 0.568 419 R N 0.691 120.920 120.500 -0.453 0.000 2.103 419 R HA -0.140 4.201 4.340 0.001 0.000 0.242 419 R C 1.382 177.559 176.300 -0.206 0.000 1.142 419 R CA 1.427 57.384 56.100 -0.239 0.000 0.960 419 R CB -0.294 29.954 30.300 -0.086 0.000 0.858 419 R HN 0.627 nan 8.270 nan 0.000 0.439 420 N N 0.359 118.928 118.700 -0.219 0.000 2.299 420 N HA -0.005 4.736 4.740 0.001 0.000 0.187 420 N C -0.279 175.160 175.510 -0.120 0.000 1.099 420 N CA -0.184 52.798 53.050 -0.113 0.000 0.867 420 N CB 0.298 38.742 38.487 -0.073 0.000 0.974 420 N HN 0.012 nan 8.380 nan 0.000 0.477 421 L N 2.357 123.421 121.223 -0.265 0.000 2.742 421 L HA -0.032 4.309 4.340 0.001 0.000 0.275 421 L C 0.925 177.810 176.870 0.026 0.000 1.141 421 L CA 0.765 55.490 54.840 -0.191 0.000 0.987 421 L CB 0.172 41.981 42.059 -0.416 0.000 1.319 421 L HN -0.136 nan 8.230 nan 0.000 0.478 422 K N 2.597 123.020 120.400 0.039 0.000 2.348 422 K HA 0.198 4.518 4.320 0.001 0.000 0.194 422 K C 0.080 176.732 176.600 0.087 0.000 1.052 422 K CA 0.237 56.573 56.287 0.082 0.000 1.004 422 K CB 0.394 32.922 32.500 0.046 0.000 0.873 422 K HN 0.683 nan 8.250 nan 0.000 0.523 423 Q N 0.678 120.511 119.800 0.056 0.000 2.309 423 Q HA 0.376 4.716 4.340 0.001 0.000 0.273 423 Q C -1.697 174.322 176.000 0.033 0.000 1.040 423 Q CA -0.423 55.410 55.803 0.051 0.000 0.834 423 Q CB 1.779 30.529 28.738 0.021 0.000 1.345 423 Q HN 0.051 nan 8.270 nan 0.000 0.414 424 I N 2.803 123.414 120.570 0.070 0.000 2.405 424 I HA 0.195 4.366 4.170 0.001 0.000 0.280 424 I C 0.806 176.952 176.117 0.048 0.000 1.027 424 I CA -0.216 61.117 61.300 0.054 0.000 1.161 424 I CB 1.733 39.788 38.000 0.092 0.000 1.300 424 I HN 0.651 nan 8.210 nan 0.000 0.463 425 S N 2.565 118.291 115.700 0.044 0.000 2.382 425 S HA -0.081 4.389 4.470 0.001 0.000 0.228 425 S C 0.780 175.402 174.600 0.036 0.000 1.027 425 S CA 1.041 59.289 58.200 0.080 0.000 0.991 425 S CB 0.027 63.334 63.200 0.179 0.000 0.823 425 S HN 0.712 nan 8.310 nan 0.000 0.469 426 S N -1.660 114.038 115.700 -0.003 0.000 2.543 426 S HA 0.559 5.030 4.470 0.001 0.000 0.274 426 S C -0.448 174.126 174.600 -0.044 0.000 1.149 426 S CA 0.108 58.242 58.200 -0.110 0.000 0.866 426 S CB 1.078 64.047 63.200 -0.386 0.000 1.111 426 S HN 0.929 nan 8.310 nan 0.000 0.457 427 G N 1.999 110.775 108.800 -0.039 0.000 2.655 427 G HA2 0.176 4.136 3.960 0.001 0.000 0.680 427 G HA3 0.176 4.136 3.960 0.001 0.000 0.680 427 G C -0.332 174.602 174.900 0.056 0.000 1.302 427 G CA -0.073 45.047 45.100 0.032 0.000 0.872 427 G HN 1.981 nan 8.290 nan 0.000 0.540 428 S N -1.781 113.977 115.700 0.097 0.000 2.664 428 S HA 0.809 5.279 4.470 0.001 0.000 0.304 428 S C -0.199 174.422 174.600 0.035 0.000 1.099 428 S CA -0.187 58.079 58.200 0.110 0.000 1.003 428 S CB 2.148 65.530 63.200 0.305 0.000 1.092 428 S HN 1.675 nan 8.310 nan 0.000 0.525 429 V N 1.805 121.695 119.914 -0.039 0.000 2.407 429 V HA 0.643 4.763 4.120 0.001 0.000 0.278 429 V C -0.229 175.813 176.094 -0.087 0.000 1.037 429 V CA -0.525 61.642 62.300 -0.223 0.000 0.900 429 V CB 1.004 32.448 31.823 -0.632 0.000 0.983 429 V HN 0.832 nan 8.190 nan 0.000 0.459 430 V N 7.374 127.230 119.914 -0.097 0.000 2.482 430 V HA 0.658 4.778 4.120 0.001 0.000 0.295 430 V C -0.915 175.127 176.094 -0.087 0.000 1.026 430 V CA -0.242 62.045 62.300 -0.023 0.000 0.856 430 V CB 1.508 33.304 31.823 -0.044 0.000 1.001 430 V HN 0.761 nan 8.190 nan 0.000 0.424 431 I N 7.582 128.115 120.570 -0.062 0.000 2.493 431 I HA 0.514 4.684 4.170 0.001 0.000 0.279 431 I C -0.596 175.520 176.117 -0.002 0.000 1.045 431 I CA -0.299 60.981 61.300 -0.033 0.000 1.106 431 I CB 1.696 39.677 38.000 -0.032 0.000 1.216 431 I HN 0.877 nan 8.210 nan 0.000 0.459 432 Q N 5.408 125.212 119.800 0.007 0.000 2.379 432 Q HA 0.449 4.789 4.340 0.001 0.000 0.278 432 Q C -0.481 175.552 176.000 0.054 0.000 1.068 432 Q CA -0.759 55.032 55.803 -0.021 0.000 0.816 432 Q CB 1.723 30.448 28.738 -0.021 0.000 1.387 432 Q HN 0.545 nan 8.270 nan 0.000 0.413 433 H N 0.612 119.687 119.070 0.009 0.000 2.791 433 H HA -0.120 4.437 4.556 0.001 0.000 0.302 433 H C -1.062 174.274 175.328 0.014 0.000 1.198 433 H CA 0.915 56.967 56.048 0.005 0.000 1.145 433 H CB -1.317 28.443 29.762 -0.003 0.000 1.385 433 H HN 0.705 nan 8.280 nan 0.000 0.409 434 N N 1.744 120.494 118.700 0.083 0.000 2.469 434 N HA 0.058 4.798 4.740 0.001 0.000 0.239 434 N C 1.625 177.151 175.510 0.027 0.000 1.053 434 N CA -0.254 52.838 53.050 0.069 0.000 0.937 434 N CB 0.950 39.477 38.487 0.068 0.000 1.163 434 N HN 0.537 nan 8.380 nan 0.000 0.509 435 R N 1.558 122.074 120.500 0.027 0.000 2.073 435 R HA -0.071 4.269 4.340 0.001 0.000 0.234 435 R C -0.314 175.930 176.300 -0.094 0.000 1.134 435 R CA 1.243 57.334 56.100 -0.014 0.000 0.952 435 R CB -0.272 30.032 30.300 0.007 0.000 0.850 435 R HN 0.266 nan 8.270 nan 0.000 0.433 436 D N 0.976 121.270 120.400 -0.177 0.000 2.722 436 D HA 0.149 4.790 4.640 0.001 0.000 0.239 436 D C -0.863 175.224 176.300 -0.356 0.000 1.249 436 D CA -0.277 53.492 54.000 -0.385 0.000 0.830 436 D CB 0.398 40.756 40.800 -0.738 0.000 1.025 436 D HN -0.004 nan 8.370 nan 0.000 0.486 437 L N 0.503 121.646 121.223 -0.134 0.000 2.349 437 L HA 0.349 4.690 4.340 0.001 0.000 0.275 437 L C -0.513 176.322 176.870 -0.059 0.000 1.115 437 L CA -0.189 54.633 54.840 -0.029 0.000 0.820 437 L CB 0.508 42.602 42.059 0.059 0.000 1.135 437 L HN 0.092 nan 8.230 nan 0.000 0.445 438 c N 2.883 121.453 118.600 -0.051 0.000 2.803 438 c HA 0.568 5.138 4.570 0.001 0.000 0.389 438 c C 0.371 174.403 174.090 -0.095 0.000 1.433 438 c CA -0.070 56.105 56.329 -0.258 0.000 1.714 438 c CB 1.012 43.110 42.510 -0.687 0.000 2.106 438 c HN 0.977 nan 8.230 nan 0.000 0.480 439 Y N -1.738 118.555 120.300 -0.012 0.000 2.865 439 Y HA -0.343 4.207 4.550 0.001 0.000 0.480 439 Y C 1.934 177.803 175.900 -0.050 0.000 1.252 439 Y CA 1.609 59.679 58.100 -0.049 0.000 2.596 439 Y CB -2.175 36.260 38.460 -0.042 0.000 0.917 439 Y HN 0.475 nan 8.280 nan 0.000 0.522 440 V N -0.985 119.048 119.914 0.197 0.000 2.453 440 V HA -0.270 3.851 4.120 0.001 0.000 0.252 440 V C 2.055 178.303 176.094 0.255 0.000 1.068 440 V CA 2.434 64.908 62.300 0.290 0.000 1.070 440 V CB -1.218 30.812 31.823 0.345 0.000 0.664 440 V HN 0.701 nan 8.190 nan 0.000 0.461 441 S N 0.458 116.228 115.700 0.117 0.000 2.436 441 S HA -0.038 4.433 4.470 0.001 0.000 0.228 441 S C 1.630 176.238 174.600 0.013 0.000 1.014 441 S CA 1.030 59.280 58.200 0.083 0.000 0.950 441 S CB -0.671 62.545 63.200 0.028 0.000 0.784 441 S HN 0.611 nan 8.310 nan 0.000 0.504 442 N N 1.114 119.788 118.700 -0.044 0.000 2.398 442 N HA 0.317 5.057 4.740 0.001 0.000 0.188 442 N C -0.132 175.243 175.510 -0.225 0.000 1.122 442 N CA 0.107 53.095 53.050 -0.104 0.000 0.866 442 N CB -0.051 38.386 38.487 -0.082 0.000 0.970 442 N HN 0.502 nan 8.380 nan 0.000 0.462 443 I N 1.376 121.726 120.570 -0.366 0.000 2.396 443 I HA 0.071 4.242 4.170 0.001 0.000 0.289 443 I C 1.047 176.724 176.117 -0.733 0.000 1.056 443 I CA -0.321 60.512 61.300 -0.778 0.000 1.365 443 I CB 0.807 37.937 38.000 -1.450 0.000 1.407 443 I HN -0.221 nan 8.210 nan 0.000 0.509 444 R N 6.511 126.694 120.500 -0.528 0.000 2.608 444 R HA 0.062 4.403 4.340 0.001 0.000 0.277 444 R C 0.192 176.343 176.300 -0.249 0.000 1.341 444 R CA -0.150 55.778 56.100 -0.286 0.000 1.199 444 R CB 0.160 30.351 30.300 -0.182 0.000 1.156 444 R HN 0.661 nan 8.270 nan 0.000 0.558 445 W N 4.004 125.258 121.300 -0.077 0.000 2.363 445 W HA -0.051 4.609 4.660 0.001 0.000 0.296 445 W C -0.804 175.703 176.519 -0.021 0.000 1.212 445 W CA 0.507 57.828 57.345 -0.041 0.000 1.260 445 W CB -0.953 28.495 29.460 -0.020 0.000 1.131 445 W HN 0.553 nan 8.180 nan 0.000 0.530 446 P HA -0.349 nan 4.420 nan 0.000 0.218 446 P C 1.575 178.914 177.300 0.065 0.000 1.154 446 P CA 3.260 66.413 63.100 0.089 0.000 0.872 446 P CB -0.467 31.256 31.700 0.039 0.000 0.790 447 A N -0.552 122.284 122.820 0.026 0.000 1.884 447 A HA -0.251 4.069 4.320 0.001 0.000 0.219 447 A C 2.152 179.768 177.584 0.054 0.000 1.197 447 A CA 2.109 54.153 52.037 0.010 0.000 0.637 447 A CB -1.604 17.370 19.000 -0.044 0.000 0.827 447 A HN 0.075 nan 8.150 nan 0.000 0.450 448 I N -0.233 120.397 120.570 0.100 0.000 2.315 448 I HA -0.110 4.061 4.170 0.001 0.000 0.248 448 I C 1.260 177.467 176.117 0.151 0.000 1.117 448 I CA 0.668 62.068 61.300 0.167 0.000 1.404 448 I CB -1.468 36.714 38.000 0.303 0.000 1.071 448 I HN 0.463 nan 8.210 nan 0.000 0.419 449 Q N 0.829 120.718 119.800 0.149 0.000 2.352 449 Q HA -0.012 4.328 4.340 0.001 0.000 0.260 449 Q C 1.299 177.341 176.000 0.070 0.000 0.976 449 Q CA 0.011 55.878 55.803 0.108 0.000 0.881 449 Q CB 1.316 30.113 28.738 0.099 0.000 1.235 449 Q HN 0.120 nan 8.270 nan 0.000 0.419 450 K N 1.427 121.861 120.400 0.056 0.000 2.155 450 K HA -0.068 4.252 4.320 0.001 0.000 0.203 450 K C -0.213 176.407 176.600 0.034 0.000 1.052 450 K CA 1.089 57.403 56.287 0.046 0.000 0.948 450 K CB 0.563 33.094 32.500 0.051 0.000 0.728 450 K HN 0.523 nan 8.250 nan 0.000 0.448 451 E N -0.192 120.023 120.200 0.026 0.000 2.288 451 E HA 0.166 4.516 4.350 0.001 0.000 0.268 451 E C -2.259 174.346 176.600 0.008 0.000 0.885 451 E CA -2.166 54.243 56.400 0.015 0.000 0.767 451 E CB 1.829 31.535 29.700 0.008 0.000 1.220 451 E HN -0.041 nan 8.360 nan 0.000 0.427 452 P HA -0.007 nan 4.420 nan 0.000 0.236 452 P C 0.984 178.274 177.300 -0.017 0.000 1.177 452 P CA 0.901 63.998 63.100 -0.004 0.000 0.773 452 P CB 0.250 31.947 31.700 -0.005 0.000 0.878 453 E N 0.706 120.897 120.200 -0.016 0.000 2.150 453 E HA -0.158 4.192 4.350 0.001 0.000 0.193 453 E C 1.104 177.685 176.600 -0.032 0.000 0.985 453 E CA 0.636 57.022 56.400 -0.024 0.000 0.814 453 E CB -1.255 28.434 29.700 -0.019 0.000 0.752 453 E HN 0.501 nan 8.360 nan 0.000 0.466 454 Q N 0.352 120.138 119.800 -0.023 0.000 2.349 454 Q HA 0.261 4.602 4.340 0.001 0.000 0.287 454 Q C -0.370 175.601 176.000 -0.047 0.000 1.044 454 Q CA 0.394 56.186 55.803 -0.018 0.000 0.918 454 Q CB 0.586 29.324 28.738 0.001 0.000 1.242 454 Q HN 0.324 nan 8.270 nan 0.000 0.405 455 K N 0.797 121.157 120.400 -0.067 0.000 2.185 455 K HA 0.628 4.948 4.320 0.001 0.000 0.240 455 K C -0.690 175.772 176.600 -0.229 0.000 0.983 455 K CA -0.799 55.352 56.287 -0.226 0.000 0.873 455 K CB 1.801 34.049 32.500 -0.420 0.000 1.118 455 K HN 0.492 nan 8.250 nan 0.000 0.441 456 V N -1.860 117.828 119.914 -0.377 0.000 2.709 456 V HA 0.572 4.693 4.120 0.001 0.000 0.308 456 V C -1.655 174.197 176.094 -0.404 0.000 1.062 456 V CA -0.744 61.391 62.300 -0.274 0.000 0.901 456 V CB 1.431 33.148 31.823 -0.176 0.000 1.003 456 V HN 0.723 nan 8.190 nan 0.000 0.425 457 W N 3.930 125.149 121.300 -0.134 0.000 2.411 457 W HA 0.715 5.375 4.660 0.001 0.000 0.317 457 W C -1.251 175.193 176.519 -0.126 0.000 1.030 457 W CA -0.668 56.616 57.345 -0.102 0.000 1.239 457 W CB 2.304 31.709 29.460 -0.091 0.000 1.304 457 W HN 0.564 nan 8.180 nan 0.000 0.437 458 V N 4.746 124.708 119.914 0.081 0.000 2.380 458 V HA 0.288 4.409 4.120 0.001 0.000 0.286 458 V C -0.739 175.376 176.094 0.035 0.000 1.015 458 V CA -0.611 61.719 62.300 0.050 0.000 0.834 458 V CB 1.169 33.042 31.823 0.084 0.000 1.009 458 V HN 0.469 nan 8.190 nan 0.000 0.428 459 N N 2.895 121.592 118.700 -0.005 0.000 2.277 459 N HA 0.614 5.355 4.740 0.001 0.000 0.286 459 N C -0.298 175.094 175.510 -0.196 0.000 1.140 459 N CA -0.774 52.232 53.050 -0.073 0.000 0.799 459 N CB 1.694 40.147 38.487 -0.057 0.000 1.596 459 N HN 0.427 nan 8.380 nan 0.000 0.473 460 E N -1.066 119.005 120.200 -0.215 0.000 3.070 460 E HA -0.192 4.159 4.350 0.001 0.000 0.285 460 E C -0.837 175.658 176.600 -0.176 0.000 0.972 460 E CA 0.622 56.837 56.400 -0.307 0.000 0.915 460 E CB -1.681 27.482 29.700 -0.895 0.000 1.466 460 E HN 0.633 nan 8.360 nan 0.000 0.432 461 N N 0.445 119.087 118.700 -0.097 0.000 2.448 461 N HA 0.279 5.019 4.740 0.001 0.000 0.274 461 N C 0.751 176.226 175.510 -0.058 0.000 1.239 461 N CA -0.705 52.315 53.050 -0.051 0.000 0.982 461 N CB 0.630 39.107 38.487 -0.016 0.000 1.199 461 N HN 0.079 nan 8.380 nan 0.000 0.576 462 L N 1.467 122.648 121.223 -0.070 0.000 2.628 462 L HA -0.055 4.285 4.340 0.001 0.000 0.274 462 L C 1.145 177.961 176.870 -0.089 0.000 1.209 462 L CA 0.146 54.929 54.840 -0.094 0.000 0.930 462 L CB 0.101 42.074 42.059 -0.143 0.000 1.183 462 L HN 0.432 nan 8.230 nan 0.000 0.492 463 R N 3.931 124.385 120.500 -0.076 0.000 2.585 463 R HA -0.019 4.322 4.340 0.001 0.000 0.275 463 R C 1.214 177.466 176.300 -0.080 0.000 1.018 463 R CA 0.599 56.659 56.100 -0.067 0.000 1.072 463 R CB 0.894 31.161 30.300 -0.055 0.000 0.953 463 R HN 0.847 nan 8.270 nan 0.000 0.419 464 A N 4.358 127.134 122.820 -0.073 0.000 1.927 464 A HA -0.277 4.043 4.320 0.001 0.000 0.220 464 A C 1.372 178.908 177.584 -0.080 0.000 1.185 464 A CA 2.176 54.163 52.037 -0.082 0.000 0.639 464 A CB -0.557 18.404 19.000 -0.064 0.000 0.820 464 A HN 0.943 nan 8.150 nan 0.000 0.451 465 D N 0.001 120.364 120.400 -0.063 0.000 2.144 465 D HA -0.116 4.525 4.640 0.001 0.000 0.199 465 D C 1.754 178.017 176.300 -0.063 0.000 0.984 465 D CA 0.969 54.936 54.000 -0.055 0.000 0.834 465 D CB -0.359 40.416 40.800 -0.043 0.000 0.955 465 D HN 0.478 nan 8.370 nan 0.000 0.465 466 L N 0.083 121.263 121.223 -0.071 0.000 2.156 466 L HA -0.087 4.253 4.340 0.001 0.000 0.208 466 L C 2.092 178.905 176.870 -0.095 0.000 1.095 466 L CA 0.472 55.268 54.840 -0.075 0.000 0.770 466 L CB -0.202 41.812 42.059 -0.074 0.000 0.914 466 L HN 0.189 nan 8.230 nan 0.000 0.439 467 c N -0.269 118.257 118.600 -0.123 0.000 2.429 467 c HA -0.174 4.397 4.570 0.001 0.000 0.277 467 c C 2.701 176.717 174.090 -0.122 0.000 1.262 467 c CA 0.814 57.046 56.329 -0.161 0.000 1.733 467 c CB -0.615 41.751 42.510 -0.241 0.000 2.010 467 c HN 0.545 nan 8.230 nan 0.000 0.483 468 E N 0.952 121.094 120.200 -0.097 0.000 2.058 468 E HA -0.223 4.128 4.350 0.001 0.000 0.194 468 E C 2.056 178.626 176.600 -0.050 0.000 0.997 468 E CA 1.126 57.486 56.400 -0.068 0.000 0.801 468 E CB -0.011 29.655 29.700 -0.056 0.000 0.746 468 E HN 0.424 nan 8.360 nan 0.000 0.450 469 K N 0.463 120.834 120.400 -0.048 0.000 2.147 469 K HA -0.094 4.226 4.320 0.001 0.000 0.205 469 K C 1.697 178.277 176.600 -0.032 0.000 1.049 469 K CA 0.776 57.042 56.287 -0.036 0.000 0.936 469 K CB -0.226 32.254 32.500 -0.034 0.000 0.722 469 K HN 0.129 nan 8.250 nan 0.000 0.446 470 N N -0.217 118.457 118.700 -0.043 0.000 2.409 470 N HA -0.045 4.696 4.740 0.001 0.000 0.179 470 N C 0.915 176.412 175.510 -0.022 0.000 1.032 470 N CA 1.067 54.097 53.050 -0.033 0.000 0.898 470 N CB 0.276 38.734 38.487 -0.049 0.000 0.971 470 N HN 0.376 nan 8.380 nan 0.000 0.441 471 G N -0.030 108.751 108.800 -0.031 0.000 2.143 471 G HA2 -0.272 3.689 3.960 0.001 0.000 0.248 471 G HA3 -0.272 3.689 3.960 0.001 0.000 0.248 471 G C 0.221 175.122 174.900 0.002 0.000 0.991 471 G CA 0.750 45.842 45.100 -0.014 0.000 0.689 471 G HN 0.427 nan 8.290 nan 0.000 0.522 472 T N -0.742 113.794 114.554 -0.030 0.000 4.058 472 T HA 0.546 4.897 4.350 0.001 0.000 0.252 472 T C 1.469 176.123 174.700 -0.076 0.000 1.264 472 T CA 0.146 62.243 62.100 -0.005 0.000 1.094 472 T CB -0.415 68.398 68.868 -0.091 0.000 1.316 472 T HN 1.057 nan 8.240 nan 0.000 0.872 473 I N -3.108 117.497 120.570 0.058 0.000 4.240 473 I HA 0.542 4.712 4.170 0.001 0.000 0.331 473 I C -0.167 176.038 176.117 0.146 0.000 1.381 473 I CA -0.844 60.481 61.300 0.043 0.000 1.136 473 I CB -0.048 37.942 38.000 -0.017 0.000 1.137 473 I HN 0.401 nan 8.210 nan 0.000 0.411 474 c N 0.853 119.570 118.600 0.195 0.000 0.168 474 c HA -0.108 4.463 4.570 0.001 0.000 0.017 474 c C 0.720 174.835 174.090 0.042 0.000 0.171 474 c CA -0.472 55.920 56.329 0.106 0.000 0.499 474 c CB -1.414 41.140 42.510 0.073 0.000 3.212 474 c HN 0.753 nan 8.230 nan 0.000 1.118 475 S N 1.052 116.763 115.700 0.018 0.000 2.549 475 S HA 0.016 4.486 4.470 0.001 0.000 0.278 475 S C 1.090 175.692 174.600 0.003 0.000 1.344 475 S CA 0.741 58.946 58.200 0.009 0.000 1.025 475 S CB 0.441 63.644 63.200 0.004 0.000 0.851 475 S HN 0.738 nan 8.310 nan 0.000 0.530 476 D N 1.005 121.408 120.400 0.005 0.000 2.312 476 D HA -0.011 4.629 4.640 0.001 0.000 0.211 476 D C 1.403 177.706 176.300 0.005 0.000 0.964 476 D CA 0.662 54.664 54.000 0.003 0.000 0.877 476 D CB 0.039 40.843 40.800 0.007 0.000 0.924 476 D HN 0.475 nan 8.370 nan 0.000 0.515 477 Q N -0.431 119.375 119.800 0.010 0.000 2.482 477 Q HA 0.041 4.381 4.340 0.001 0.000 0.209 477 Q C 0.017 176.019 176.000 0.003 0.000 0.961 477 Q CA 0.162 55.977 55.803 0.020 0.000 0.945 477 Q CB 0.003 28.764 28.738 0.038 0.000 1.012 477 Q HN 0.259 nan 8.270 nan 0.000 0.515 478 c N 1.599 120.191 118.600 -0.014 0.000 2.634 478 c HA 0.436 5.006 4.570 0.001 0.000 0.313 478 c C 0.651 174.714 174.090 -0.046 0.000 1.198 478 c CA -1.683 54.626 56.329 -0.033 0.000 1.605 478 c CB 1.260 43.742 42.510 -0.047 0.000 2.196 478 c HN 0.475 nan 8.230 nan 0.000 0.486 479 N N 1.031 119.697 118.700 -0.056 0.000 2.285 479 N HA 0.253 4.994 4.740 0.001 0.000 0.262 479 N C 0.923 176.388 175.510 -0.075 0.000 1.299 479 N CA 0.369 53.383 53.050 -0.061 0.000 0.930 479 N CB 0.049 38.500 38.487 -0.061 0.000 1.157 479 N HN 0.785 nan 8.380 nan 0.000 0.532 480 E N -1.277 118.880 120.200 -0.072 0.000 2.455 480 E HA -0.167 4.184 4.350 0.001 0.000 0.202 480 E C 0.809 177.341 176.600 -0.113 0.000 1.045 480 E CA 1.408 57.760 56.400 -0.081 0.000 0.872 480 E CB -0.962 28.698 29.700 -0.066 0.000 0.792 480 E HN 0.613 nan 8.360 nan 0.000 0.542 481 D N -0.496 119.825 120.400 -0.130 0.000 2.348 481 D HA 0.220 4.860 4.640 0.001 0.000 0.216 481 D C 1.328 177.463 176.300 -0.275 0.000 0.970 481 D CA 1.164 55.054 54.000 -0.183 0.000 0.889 481 D CB 0.083 40.784 40.800 -0.165 0.000 0.912 481 D HN 0.706 nan 8.370 nan 0.000 0.524 482 G N -0.471 108.185 108.800 -0.240 0.000 2.615 482 G HA2 -0.130 3.830 3.960 0.001 0.000 0.218 482 G HA3 -0.130 3.830 3.960 0.001 0.000 0.218 482 G C -0.309 174.367 174.900 -0.373 0.000 1.339 482 G CA -0.516 44.407 45.100 -0.296 0.000 0.884 482 G HN 0.596 nan 8.290 nan 0.000 0.559 483 c N -4.454 113.849 118.600 -0.495 0.000 3.253 483 c HA 0.582 5.152 4.570 0.001 0.000 0.342 483 c C 0.480 174.196 174.090 -0.625 0.000 1.306 483 c CA -0.506 55.499 56.329 -0.539 0.000 1.207 483 c CB 0.288 42.638 42.510 -0.267 0.000 1.479 483 c HN 1.138 nan 8.230 nan 0.000 0.469 484 W N 1.090 122.221 121.300 -0.282 0.000 2.942 484 W HA 0.483 5.143 4.660 0.001 0.000 0.263 484 W C 1.231 177.420 176.519 -0.549 0.000 1.296 484 W CA 0.974 58.145 57.345 -0.290 0.000 1.504 484 W CB 0.243 29.598 29.460 -0.174 0.000 1.096 484 W HN 1.213 nan 8.180 nan 0.000 0.639 485 G N -1.523 106.922 108.800 -0.592 0.000 2.650 485 G HA2 0.447 4.407 3.960 0.001 0.000 0.310 485 G HA3 0.447 4.407 3.960 0.001 0.000 0.310 485 G C 0.047 174.540 174.900 -0.678 0.000 1.270 485 G CA -0.109 44.437 45.100 -0.923 0.000 0.810 485 G HN -0.085 nan 8.290 nan 0.000 0.493 486 A N -0.924 121.756 122.820 -0.233 0.000 1.975 486 A HA 0.532 4.853 4.320 0.001 0.000 0.215 486 A C 1.618 179.198 177.584 -0.007 0.000 1.170 486 A CA 1.650 53.702 52.037 0.024 0.000 0.656 486 A CB -0.789 18.291 19.000 0.133 0.000 0.821 486 A HN 1.547 nan 8.150 nan 0.000 0.449 487 G N -1.166 107.615 108.800 -0.032 0.000 2.634 487 G HA2 0.329 4.290 3.960 0.001 0.000 0.255 487 G HA3 0.329 4.290 3.960 0.001 0.000 0.255 487 G C 1.063 175.956 174.900 -0.011 0.000 1.205 487 G CA 0.471 45.563 45.100 -0.013 0.000 0.884 487 G HN 0.412 nan 8.290 nan 0.000 0.549 488 T N -1.499 113.056 114.554 0.002 0.000 2.915 488 T HA -0.141 4.210 4.350 0.001 0.000 0.269 488 T C 1.630 176.339 174.700 0.015 0.000 1.071 488 T CA 1.677 63.784 62.100 0.012 0.000 1.132 488 T CB -0.157 68.726 68.868 0.025 0.000 0.878 488 T HN 0.570 nan 8.240 nan 0.000 0.479 489 D N 1.116 121.521 120.400 0.009 0.000 2.234 489 D HA -0.110 4.530 4.640 0.001 0.000 0.205 489 D C 2.088 178.405 176.300 0.029 0.000 0.962 489 D CA 0.539 54.545 54.000 0.010 0.000 0.855 489 D CB -0.454 40.342 40.800 -0.007 0.000 0.951 489 D HN 0.243 nan 8.370 nan 0.000 0.500 490 Q N 0.242 120.055 119.800 0.023 0.000 2.124 490 Q HA -0.030 4.310 4.340 0.001 0.000 0.202 490 Q C 0.810 176.871 176.000 0.103 0.000 0.977 490 Q CA 0.400 56.239 55.803 0.060 0.000 0.850 490 Q CB -0.805 27.914 28.738 -0.033 0.000 0.901 490 Q HN 0.354 nan 8.270 nan 0.000 0.429 491 c N 2.004 120.613 118.600 0.015 0.000 2.590 491 c HA -0.016 4.554 4.570 0.001 0.000 0.411 491 c C 2.336 176.441 174.090 0.025 0.000 1.420 491 c CA -0.680 55.630 56.329 -0.031 0.000 1.643 491 c CB -1.073 41.415 42.510 -0.037 0.000 2.528 491 c HN 0.391 nan 8.230 nan 0.000 0.606 492 L N 3.358 124.558 121.223 -0.039 0.000 2.034 492 L HA -0.191 4.150 4.340 0.001 0.000 0.217 492 L C 1.108 177.987 176.870 0.016 0.000 1.077 492 L CA 1.914 56.765 54.840 0.018 0.000 0.769 492 L CB -0.362 41.587 42.059 -0.183 0.000 0.890 492 L HN 0.769 nan 8.230 nan 0.000 0.435 493 N N -2.570 116.111 118.700 -0.032 0.000 2.336 493 N HA 0.248 4.989 4.740 0.001 0.000 0.290 493 N C -1.120 174.376 175.510 -0.022 0.000 1.058 493 N CA -0.818 52.220 53.050 -0.020 0.000 0.865 493 N CB 1.621 40.087 38.487 -0.034 0.000 1.581 493 N HN -0.035 nan 8.380 nan 0.000 0.480 494 c N 1.815 120.413 118.600 -0.004 0.000 2.634 494 c HA -0.004 4.567 4.570 0.001 0.000 0.417 494 c C 2.214 176.289 174.090 -0.025 0.000 1.334 494 c CA 0.284 56.614 56.329 0.000 0.000 1.829 494 c CB -0.016 42.510 42.510 0.026 0.000 2.665 494 c HN 0.875 nan 8.230 nan 0.000 0.614 495 K N 1.892 122.278 120.400 -0.022 0.000 2.001 495 K HA -0.110 4.211 4.320 0.001 0.000 0.208 495 K C 1.625 178.183 176.600 -0.070 0.000 1.048 495 K CA 1.865 58.129 56.287 -0.038 0.000 0.932 495 K CB 0.004 32.491 32.500 -0.021 0.000 0.715 495 K HN 0.759 nan 8.250 nan 0.000 0.437 496 N N -1.542 117.118 118.700 -0.067 0.000 2.994 496 N HA 0.141 4.881 4.740 0.001 0.000 0.216 496 N C -0.705 174.616 175.510 -0.316 0.000 1.166 496 N CA 0.161 53.097 53.050 -0.190 0.000 1.155 496 N CB 0.242 38.684 38.487 -0.076 0.000 1.489 496 N HN -0.092 nan 8.380 nan 0.000 0.556 497 F N 0.960 120.941 119.950 0.052 0.000 2.458 497 F HA 0.434 4.962 4.527 0.001 0.000 0.330 497 F C 0.296 176.144 175.800 0.080 0.000 1.082 497 F CA -0.763 57.276 58.000 0.065 0.000 0.995 497 F CB 1.351 40.392 39.000 0.069 0.000 1.170 497 F HN 0.133 nan 8.300 nan 0.000 0.478 498 N N 2.897 121.780 118.700 0.305 0.000 2.407 498 N HA 0.374 5.115 4.740 0.001 0.000 0.277 498 N C -1.852 173.809 175.510 0.251 0.000 0.995 498 N CA -0.442 52.733 53.050 0.208 0.000 0.903 498 N CB 0.980 39.539 38.487 0.120 0.000 1.218 498 N HN 0.555 nan 8.380 nan 0.000 0.487 499 F N 5.385 125.367 119.950 0.053 0.000 2.577 499 F HA 0.346 4.874 4.527 0.001 0.000 0.344 499 F C -0.050 175.744 175.800 -0.009 0.000 1.145 499 F CA -0.574 57.428 58.000 0.003 0.000 0.996 499 F CB 0.536 39.530 39.000 -0.010 0.000 1.248 499 F HN 0.570 nan 8.300 nan 0.000 0.447 500 N N 4.540 122.905 118.700 -0.559 0.000 2.756 500 N HA -0.179 4.561 4.740 0.001 0.000 0.248 500 N C 0.741 176.068 175.510 -0.305 0.000 1.062 500 N CA 1.220 53.914 53.050 -0.594 0.000 0.696 500 N CB -1.188 36.636 38.487 -1.106 0.000 0.946 500 N HN 1.619 nan 8.380 nan 0.000 0.548 501 G N -1.212 107.492 108.800 -0.160 0.000 2.233 501 G HA2 -0.306 3.655 3.960 0.001 0.000 0.270 501 G HA3 -0.306 3.655 3.960 0.001 0.000 0.270 501 G C 0.171 175.045 174.900 -0.044 0.000 1.011 501 G CA 1.056 46.110 45.100 -0.077 0.000 0.762 501 G HN 0.764 nan 8.290 nan 0.000 0.511 502 T N -0.317 114.219 114.554 -0.029 0.000 2.829 502 T HA 0.475 4.826 4.350 0.001 0.000 0.280 502 T C 0.139 174.900 174.700 0.103 0.000 0.999 502 T CA -0.368 61.756 62.100 0.040 0.000 0.983 502 T CB 1.906 70.818 68.868 0.073 0.000 0.968 502 T HN 0.271 nan 8.240 nan 0.000 0.446 503 c N 4.106 122.759 118.600 0.089 0.000 2.325 503 c HA 0.619 5.189 4.570 0.001 0.000 0.347 503 c C 0.262 174.428 174.090 0.127 0.000 1.263 503 c CA -0.707 55.685 56.329 0.105 0.000 1.806 503 c CB -1.710 40.838 42.510 0.063 0.000 2.405 503 c HN 0.709 nan 8.230 nan 0.000 0.537 504 I N 2.327 123.008 120.570 0.185 0.000 2.689 504 I HA 0.397 4.567 4.170 0.001 0.000 0.299 504 I C 1.040 177.313 176.117 0.260 0.000 1.059 504 I CA -0.332 61.083 61.300 0.192 0.000 1.055 504 I CB 1.897 40.015 38.000 0.195 0.000 1.243 504 I HN 0.684 nan 8.210 nan 0.000 0.425 505 A N 2.747 125.720 122.820 0.255 0.000 1.968 505 A HA -0.021 4.299 4.320 0.001 0.000 0.217 505 A C 0.425 178.253 177.584 0.406 0.000 1.169 505 A CA 1.509 53.728 52.037 0.304 0.000 0.638 505 A CB -0.150 19.024 19.000 0.290 0.000 0.812 505 A HN 0.775 nan 8.150 nan 0.000 0.446 506 D N -3.306 117.275 120.400 0.301 0.000 2.726 506 D HA 0.142 4.782 4.640 0.001 0.000 0.203 506 D C 0.370 176.546 176.300 -0.207 0.000 1.297 506 D CA -0.349 53.648 54.000 -0.005 0.000 0.863 506 D CB 0.229 40.985 40.800 -0.073 0.000 1.669 506 D HN -0.065 nan 8.370 nan 0.000 0.561 507 c N 2.560 120.827 118.600 -0.555 0.000 2.403 507 c HA 0.002 4.573 4.570 0.001 0.000 0.279 507 c C 2.601 176.511 174.090 -0.300 0.000 1.269 507 c CA 1.475 57.535 56.329 -0.448 0.000 1.774 507 c CB -1.204 40.999 42.510 -0.512 0.000 1.993 507 c HN 0.777 nan 8.230 nan 0.000 0.496 508 G N -1.463 107.161 108.800 -0.294 0.000 2.448 508 G HA2 -0.223 3.737 3.960 0.001 0.000 0.219 508 G HA3 -0.223 3.737 3.960 0.001 0.000 0.219 508 G C 1.188 175.961 174.900 -0.211 0.000 1.127 508 G CA 0.627 45.577 45.100 -0.251 0.000 0.766 508 G HN 0.502 nan 8.290 nan 0.000 0.552 509 Y N 0.681 120.902 120.300 -0.132 0.000 2.114 509 Y HA -0.011 4.539 4.550 0.001 0.000 0.282 509 Y C 1.612 177.438 175.900 -0.123 0.000 1.165 509 Y CA 0.190 58.228 58.100 -0.103 0.000 1.148 509 Y CB -0.271 38.141 38.460 -0.079 0.000 0.972 509 Y HN 0.051 nan 8.280 nan 0.000 0.504 510 I N 0.346 120.894 120.570 -0.037 0.000 2.337 510 I HA 0.016 4.186 4.170 0.001 0.000 0.291 510 I C 1.276 177.304 176.117 -0.148 0.000 1.046 510 I CA -0.071 61.142 61.300 -0.145 0.000 1.324 510 I CB 1.262 39.038 38.000 -0.373 0.000 1.409 510 I HN 0.032 nan 8.210 nan 0.000 0.494 511 S N 4.231 119.883 115.700 -0.080 0.000 2.370 511 S HA -0.187 4.283 4.470 0.001 0.000 0.226 511 S C 1.381 175.949 174.600 -0.054 0.000 1.033 511 S CA 1.307 59.473 58.200 -0.056 0.000 1.011 511 S CB -0.370 62.815 63.200 -0.025 0.000 0.852 511 S HN 0.718 nan 8.310 nan 0.000 0.457 512 N N 2.216 120.879 118.700 -0.062 0.000 2.521 512 N HA 0.267 5.007 4.740 0.001 0.000 0.188 512 N C 0.162 175.640 175.510 -0.054 0.000 1.146 512 N CA 0.551 53.589 53.050 -0.020 0.000 0.893 512 N CB -0.374 38.121 38.487 0.014 0.000 0.975 512 N HN 0.526 nan 8.380 nan 0.000 0.451 513 A N 0.639 123.340 122.820 -0.199 0.000 2.310 513 A HA 0.533 4.853 4.320 0.001 0.000 0.299 513 A C -0.638 176.886 177.584 -0.099 0.000 1.147 513 A CA -0.617 51.246 52.037 -0.290 0.000 0.818 513 A CB 0.198 18.842 19.000 -0.594 0.000 1.096 513 A HN 0.298 nan 8.150 nan 0.000 0.495 514 Y N -0.051 120.216 120.300 -0.055 0.000 2.524 514 Y HA 0.651 5.202 4.550 0.001 0.000 0.344 514 Y C -0.126 175.774 175.900 -0.000 0.000 1.012 514 Y CA -1.533 56.552 58.100 -0.025 0.000 1.068 514 Y CB 1.514 39.994 38.460 0.033 0.000 1.249 514 Y HN 0.559 nan 8.280 nan 0.000 0.468 515 K N 3.662 124.157 120.400 0.158 0.000 2.183 515 K HA 0.140 4.460 4.320 0.001 0.000 0.272 515 K C -0.084 176.670 176.600 0.258 0.000 1.113 515 K CA -0.230 56.093 56.287 0.060 0.000 0.949 515 K CB -0.298 32.185 32.500 -0.027 0.000 1.365 515 K HN 0.880 nan 8.250 nan 0.000 0.420 516 F N 2.703 122.704 119.950 0.086 0.000 2.084 516 F HA -0.126 4.402 4.527 0.001 0.000 0.296 516 F C 0.647 176.553 175.800 0.177 0.000 1.111 516 F CA 1.454 59.587 58.000 0.222 0.000 1.224 516 F CB 0.396 39.472 39.000 0.125 0.000 0.991 516 F HN 0.510 nan 8.300 nan 0.000 0.471 517 D N -1.773 118.777 120.400 0.250 0.000 2.624 517 D HA 0.142 4.783 4.640 0.001 0.000 0.257 517 D C 0.450 176.876 176.300 0.210 0.000 1.167 517 D CA -0.398 53.690 54.000 0.147 0.000 1.086 517 D CB 0.194 41.124 40.800 0.216 0.000 1.210 517 D HN -0.176 nan 8.370 nan 0.000 0.631 518 N N -0.533 118.249 118.700 0.137 0.000 2.416 518 N HA -0.023 4.717 4.740 0.001 0.000 0.177 518 N C 0.591 176.070 175.510 -0.050 0.000 1.036 518 N CA 0.571 53.681 53.050 0.099 0.000 0.901 518 N CB 0.289 38.780 38.487 0.008 0.000 0.976 518 N HN 0.283 nan 8.380 nan 0.000 0.444 519 R N -1.734 118.783 120.500 0.028 0.000 2.629 519 R HA 0.329 4.669 4.340 0.001 0.000 0.408 519 R C -0.750 175.684 176.300 0.224 0.000 1.057 519 R CA -0.361 55.697 56.100 -0.072 0.000 1.119 519 R CB -0.009 30.246 30.300 -0.075 0.000 1.403 519 R HN -0.123 nan 8.270 nan 0.000 0.576 520 T N 0.406 115.225 114.554 0.442 0.000 2.909 520 T HA 0.518 4.868 4.350 0.001 0.000 0.299 520 T C -0.948 173.948 174.700 0.327 0.000 1.073 520 T CA -0.529 61.796 62.100 0.375 0.000 0.999 520 T CB 1.973 71.033 68.868 0.321 0.000 1.098 520 T HN 0.197 nan 8.240 nan 0.000 0.477 521 c N 2.166 120.882 118.600 0.194 0.000 2.563 521 c HA 0.734 5.304 4.570 0.001 0.000 0.314 521 c C -0.125 173.980 174.090 0.026 0.000 1.199 521 c CA -1.188 55.134 56.329 -0.011 0.000 1.564 521 c CB 1.111 43.553 42.510 -0.113 0.000 2.173 521 c HN 0.866 nan 8.230 nan 0.000 0.485 522 K N 1.267 121.441 120.400 -0.377 0.000 2.267 522 K HA 0.654 4.974 4.320 0.001 0.000 0.246 522 K C -0.695 175.821 176.600 -0.141 0.000 0.954 522 K CA -0.586 55.545 56.287 -0.260 0.000 0.824 522 K CB 2.417 34.673 32.500 -0.407 0.000 1.167 522 K HN 0.663 nan 8.250 nan 0.000 0.431 523 I N 0.814 121.513 120.570 0.216 0.000 2.720 523 I HA 0.029 4.200 4.170 0.001 0.000 0.287 523 I C -0.399 175.874 176.117 0.259 0.000 1.090 523 I CA -0.219 61.247 61.300 0.276 0.000 1.384 523 I CB 0.639 38.845 38.000 0.343 0.000 1.420 523 I HN 0.604 nan 8.210 nan 0.000 0.575 524 c N 6.656 125.399 118.600 0.239 0.000 2.499 524 c HA 0.137 4.707 4.570 0.001 0.000 0.386 524 c C 0.497 174.710 174.090 0.204 0.000 1.293 524 c CA -0.363 56.128 56.329 0.270 0.000 1.884 524 c CB -1.002 41.625 42.510 0.195 0.000 2.509 524 c HN 0.678 nan 8.230 nan 0.000 0.566 525 H N 5.528 124.672 119.070 0.124 0.000 3.201 525 H HA -0.084 4.473 4.556 0.001 0.000 0.301 525 H C -1.258 174.104 175.328 0.056 0.000 0.948 525 H CA 0.131 56.224 56.048 0.075 0.000 1.369 525 H CB 0.682 30.473 29.762 0.049 0.000 1.293 525 H HN 0.517 nan 8.280 nan 0.000 0.575 526 P HA -0.275 nan 4.420 nan 0.000 0.220 526 P C 1.453 178.716 177.300 -0.062 0.000 1.155 526 P CA 2.670 65.645 63.100 -0.208 0.000 0.880 526 P CB -0.109 31.404 31.700 -0.312 0.000 0.790 527 E N -0.664 119.555 120.200 0.031 0.000 2.068 527 E HA -0.250 4.100 4.350 0.001 0.000 0.207 527 E C 1.295 177.951 176.600 0.094 0.000 1.032 527 E CA 1.930 58.424 56.400 0.156 0.000 0.839 527 E CB -1.535 28.372 29.700 0.346 0.000 0.758 527 E HN 0.462 nan 8.360 nan 0.000 0.457 528 c N -3.456 115.204 118.600 0.100 0.000 2.779 528 c HA 0.885 5.456 4.570 0.001 0.000 0.314 528 c C 2.006 176.128 174.090 0.054 0.000 1.231 528 c CA -0.388 55.978 56.329 0.063 0.000 1.652 528 c CB 1.274 43.816 42.510 0.053 0.000 2.198 528 c HN 0.804 nan 8.230 nan 0.000 0.483 529 R N 0.317 120.839 120.500 0.037 0.000 2.064 529 R HA 0.396 4.737 4.340 0.001 0.000 0.228 529 R C 1.040 177.360 176.300 0.033 0.000 1.144 529 R CA 2.072 58.190 56.100 0.030 0.000 0.932 529 R CB -1.563 28.748 30.300 0.018 0.000 0.833 529 R HN 1.284 nan 8.270 nan 0.000 0.429 530 T N -0.023 114.547 114.554 0.027 0.000 2.815 530 T HA 0.547 4.898 4.350 0.001 0.000 0.289 530 T C -0.272 174.446 174.700 0.030 0.000 1.000 530 T CA -0.454 61.661 62.100 0.025 0.000 0.958 530 T CB 0.463 69.335 68.868 0.006 0.000 0.944 530 T HN 0.614 nan 8.240 nan 0.000 0.442 531 c N 2.196 120.827 118.600 0.052 0.000 2.358 531 c HA 0.500 5.070 4.570 0.001 0.000 0.354 531 c C 1.920 176.024 174.090 0.023 0.000 1.183 531 c CA -0.943 55.403 56.329 0.029 0.000 2.150 531 c CB 0.956 43.477 42.510 0.017 0.000 2.361 531 c HN 1.026 nan 8.230 nan 0.000 0.535 532 N N -0.231 118.456 118.700 -0.022 0.000 2.376 532 N HA 0.088 4.829 4.740 0.001 0.000 0.177 532 N C 0.654 176.114 175.510 -0.083 0.000 1.024 532 N CA 0.708 53.742 53.050 -0.026 0.000 0.893 532 N CB 0.334 38.799 38.487 -0.037 0.000 0.980 532 N HN 0.938 nan 8.380 nan 0.000 0.439 533 G N -0.988 107.677 108.800 -0.225 0.000 2.975 533 G HA2 0.583 4.544 3.960 0.001 0.000 0.291 533 G HA3 0.583 4.544 3.960 0.001 0.000 0.291 533 G C -1.422 172.916 174.900 -0.936 0.000 1.334 533 G CA -0.264 44.531 45.100 -0.507 0.000 0.843 533 G HN 0.094 nan 8.290 nan 0.000 0.548 534 A N -0.259 122.048 122.820 -0.855 0.000 3.260 534 A HA 0.721 5.042 4.320 0.001 0.000 0.268 534 A C 0.624 178.104 177.584 -0.174 0.000 1.491 534 A CA 0.431 52.123 52.037 -0.575 0.000 1.181 534 A CB -0.754 18.190 19.000 -0.094 0.000 1.137 534 A HN 1.506 nan 8.150 nan 0.000 0.642 535 G N -1.994 106.706 108.800 -0.167 0.000 2.725 535 G HA2 0.541 4.502 3.960 0.001 0.000 0.288 535 G HA3 0.541 4.502 3.960 0.001 0.000 0.288 535 G C 0.590 175.357 174.900 -0.221 0.000 1.399 535 G CA 0.152 45.158 45.100 -0.156 0.000 0.859 535 G HN 0.562 nan 8.290 nan 0.000 0.479 536 A N -0.431 122.149 122.820 -0.399 0.000 1.930 536 A HA 0.131 4.451 4.320 0.001 0.000 0.215 536 A C 1.794 179.280 177.584 -0.164 0.000 1.176 536 A CA 2.301 54.013 52.037 -0.541 0.000 0.632 536 A CB -0.254 18.370 19.000 -0.626 0.000 0.819 536 A HN 0.619 nan 8.150 nan 0.000 0.445 537 D N -1.786 118.539 120.400 -0.125 0.000 2.301 537 D HA 0.074 4.715 4.640 0.001 0.000 0.206 537 D C 1.585 177.852 176.300 -0.055 0.000 0.979 537 D CA 1.348 55.310 54.000 -0.064 0.000 0.874 537 D CB -1.425 39.341 40.800 -0.056 0.000 0.968 537 D HN 0.542 nan 8.370 nan 0.000 0.510 538 H N 0.608 119.632 119.070 -0.078 0.000 2.460 538 H HA 0.070 4.626 4.556 0.001 0.000 0.297 538 H C 1.761 177.053 175.328 -0.060 0.000 1.103 538 H CA 1.435 57.436 56.048 -0.078 0.000 1.292 538 H CB -1.402 28.291 29.762 -0.116 0.000 1.376 538 H HN 0.514 nan 8.280 nan 0.000 0.531 539 c N 0.000 118.578 118.600 -0.037 0.000 2.653 539 c HA 0.000 4.570 4.570 0.001 0.000 0.325 539 c CA 0.000 56.323 56.329 -0.010 0.000 1.963 539 c CB 0.000 42.529 42.510 0.031 0.000 2.134 539 c HN 0.000 nan 8.230 nan 0.000 0.568