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 2wvh_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSYTVGTYLA ERLVQIGLKH HFAVAGDYNL VLLDNLLLNK NMEQVYCCNE DATA SEQUENCE LNCGFSAEGY ARAKGAAAAV VTYSVGALSA FDAIGGAYAE NLPVILISGA DATA SEQUENCE PNNNDHAAGH VLHHALGKTD YHYQLEMAKN ITAAAEAIYT PEEAPAKIDH DATA SEQUENCE VIKTALREKK PVYLEIACNI ASMPCAAPGP ASALFNDEAS DEASLNAAVE DATA SEQUENCE ETLKFIANRD KVAVLVGSKL RAAGAEEAAV KFADALGGAV ATMAAAKSFF DATA SEQUENCE PEENPHYIGT SWGEVSYPGV EKTMKEADAV IALAPVFNDY STTGWTDIPD DATA SEQUENCE PKKLVLAEPR SVVVNGIRFP SVHLKDYLTR LAQKVSKKTG ALDFFKSLNA DATA SEQUENCE GELKKAAPAD PSAPLVNAEI ARQVEALLTP NTTVIAETGD SWFNAQRMKL DATA SEQUENCE PNGARVEYEM QWGHIGWSVP AAFGYAVGAP ERRNILMVGD GSFQLTAQEV DATA SEQUENCE AQMVRLKLPV IIFLINNYGY TIEVMIHDGP YNNIKNWDYA GLMEVFNGNG DATA SEQUENCE GYDSGAGKGL KAKTGGELAE AIKVALANTD GPTLIECFIG REDCTEELVK DATA SEQUENCE WGKRVAAANS RKPVNK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.199 176.300 -0.168 0.000 1.140 1 M CA 0.000 55.206 55.300 -0.156 0.000 0.988 1 M CB 0.000 32.441 32.600 -0.266 0.000 1.302 2 S N 3.151 118.772 115.700 -0.133 0.000 2.646 2 S HA 0.748 5.228 4.470 0.016 0.000 0.276 2 S C -1.047 173.461 174.600 -0.153 0.000 1.222 2 S CA -0.421 57.756 58.200 -0.038 0.000 1.014 2 S CB 1.182 64.395 63.200 0.022 0.000 0.991 2 S HN 0.578 nan 8.310 nan 0.000 0.533 3 Y N 0.368 120.696 120.300 0.047 0.000 2.457 3 Y HA 0.572 5.131 4.550 0.016 0.000 0.333 3 Y C 1.161 177.098 175.900 0.062 0.000 1.119 3 Y CA -0.440 57.700 58.100 0.067 0.000 1.143 3 Y CB 2.016 40.551 38.460 0.125 0.000 1.230 3 Y HN 0.972 nan 8.280 nan 0.000 0.469 4 T N -2.788 111.893 114.554 0.211 0.000 2.949 4 T HA 0.357 4.716 4.350 0.016 0.000 0.287 4 T C 0.842 175.639 174.700 0.161 0.000 1.034 4 T CA -0.747 61.434 62.100 0.135 0.000 1.018 4 T CB 1.023 69.935 68.868 0.074 0.000 1.135 4 T HN 0.344 nan 8.240 nan 0.000 0.532 5 V N 1.543 121.504 119.914 0.079 0.000 2.282 5 V HA -0.097 4.033 4.120 0.016 0.000 0.249 5 V C 2.871 179.019 176.094 0.088 0.000 1.057 5 V CA 2.641 64.967 62.300 0.043 0.000 1.032 5 V CB -1.511 30.309 31.823 -0.006 0.000 0.645 5 V HN 1.108 nan 8.190 nan 0.000 0.447 6 G N -0.096 108.749 108.800 0.075 0.000 2.402 6 G HA2 -0.257 3.713 3.960 0.016 0.000 0.216 6 G HA3 -0.257 3.713 3.960 0.016 0.000 0.216 6 G C 1.744 176.699 174.900 0.092 0.000 1.162 6 G CA 1.551 46.688 45.100 0.061 0.000 0.777 6 G HN 0.590 nan 8.290 nan 0.000 0.539 7 T N -2.739 111.898 114.554 0.140 0.000 3.023 7 T HA -0.050 4.310 4.350 0.016 0.000 0.266 7 T C 2.061 176.952 174.700 0.319 0.000 1.093 7 T CA 1.024 63.232 62.100 0.179 0.000 1.129 7 T CB -0.328 68.609 68.868 0.114 0.000 0.899 7 T HN 0.261 nan 8.240 nan 0.000 0.491 8 Y N 1.726 122.142 120.300 0.194 0.000 2.114 8 Y HA 0.042 4.601 4.550 0.016 0.000 0.284 8 Y C 2.174 178.062 175.900 -0.020 0.000 1.143 8 Y CA 1.195 59.317 58.100 0.037 0.000 1.135 8 Y CB -0.615 37.830 38.460 -0.025 0.000 0.980 8 Y HN 0.215 nan 8.280 nan 0.000 0.499 9 L N 0.715 122.080 121.223 0.237 0.000 2.012 9 L HA -0.155 4.194 4.340 0.016 0.000 0.210 9 L C 2.416 179.277 176.870 -0.014 0.000 1.073 9 L CA 2.277 57.173 54.840 0.093 0.000 0.748 9 L CB -1.430 40.651 42.059 0.038 0.000 0.891 9 L HN 0.271 nan 8.230 nan 0.000 0.431 10 A N -0.758 122.055 122.820 -0.011 0.000 1.883 10 A HA -0.270 4.059 4.320 0.016 0.000 0.217 10 A C 2.265 179.828 177.584 -0.034 0.000 1.186 10 A CA 1.833 53.842 52.037 -0.047 0.000 0.624 10 A CB -0.812 18.177 19.000 -0.018 0.000 0.822 10 A HN 0.572 nan 8.150 nan 0.000 0.444 11 E N -0.094 120.094 120.200 -0.020 0.000 2.077 11 E HA -0.183 4.176 4.350 0.016 0.000 0.193 11 E C 2.175 178.701 176.600 -0.122 0.000 0.989 11 E CA 1.323 57.690 56.400 -0.055 0.000 0.800 11 E CB -0.184 29.471 29.700 -0.074 0.000 0.746 11 E HN 0.375 nan 8.360 nan 0.000 0.452 12 R N 0.130 120.519 120.500 -0.186 0.000 2.091 12 R HA -0.082 4.268 4.340 0.016 0.000 0.238 12 R C 2.535 178.786 176.300 -0.081 0.000 1.136 12 R CA 1.171 57.177 56.100 -0.158 0.000 0.959 12 R CB -1.016 29.196 30.300 -0.147 0.000 0.856 12 R HN 0.345 nan 8.270 nan 0.000 0.437 13 L N 0.109 121.294 121.223 -0.063 0.000 2.046 13 L HA -0.146 4.204 4.340 0.016 0.000 0.208 13 L C 2.470 179.339 176.870 -0.001 0.000 1.077 13 L CA 0.980 55.800 54.840 -0.033 0.000 0.747 13 L CB -0.559 41.467 42.059 -0.055 0.000 0.896 13 L HN -0.053 nan 8.230 nan 0.000 0.432 14 V N -0.416 119.491 119.914 -0.011 0.000 2.343 14 V HA -0.297 3.832 4.120 0.016 0.000 0.247 14 V C 2.447 178.556 176.094 0.025 0.000 1.051 14 V CA 1.644 63.948 62.300 0.006 0.000 1.036 14 V CB -0.492 31.328 31.823 -0.005 0.000 0.654 14 V HN 0.501 nan 8.190 nan 0.000 0.451 15 Q N -0.221 119.586 119.800 0.012 0.000 2.170 15 Q HA -0.132 4.218 4.340 0.016 0.000 0.203 15 Q C 2.109 178.204 176.000 0.159 0.000 0.976 15 Q CA 1.873 57.706 55.803 0.051 0.000 0.858 15 Q CB -0.237 28.505 28.738 0.006 0.000 0.907 15 Q HN 0.868 nan 8.270 nan 0.000 0.433 16 I N -4.159 116.487 120.570 0.127 0.000 3.564 16 I HA 0.263 4.443 4.170 0.016 0.000 0.294 16 I C 0.941 177.214 176.117 0.261 0.000 1.289 16 I CA 0.834 62.283 61.300 0.248 0.000 1.325 16 I CB 0.031 38.037 38.000 0.010 0.000 1.039 16 I HN 0.192 nan 8.210 nan 0.000 0.474 17 G N 1.329 110.221 108.800 0.153 0.000 2.163 17 G HA2 -0.169 3.800 3.960 0.016 0.000 0.213 17 G HA3 -0.169 3.800 3.960 0.016 0.000 0.213 17 G C -0.231 174.741 174.900 0.121 0.000 0.991 17 G CA -0.346 44.820 45.100 0.110 0.000 0.653 17 G HN 0.223 nan 8.290 nan 0.000 0.518 18 L N 0.704 122.009 121.223 0.136 0.000 2.410 18 L HA 0.465 4.815 4.340 0.016 0.000 0.273 18 L C 1.427 178.363 176.870 0.110 0.000 1.152 18 L CA 0.374 55.327 54.840 0.189 0.000 0.855 18 L CB 1.032 43.174 42.059 0.138 0.000 1.129 18 L HN 0.003 nan 8.230 nan 0.000 0.463 19 K N 1.925 122.423 120.400 0.162 0.000 2.355 19 K HA 0.249 4.579 4.320 0.016 0.000 0.198 19 K C -0.364 175.932 176.600 -0.507 0.000 1.039 19 K CA 0.100 56.320 56.287 -0.111 0.000 1.075 19 K CB 0.359 32.814 32.500 -0.076 0.000 0.870 19 K HN 0.612 nan 8.250 nan 0.000 0.540 20 H N -0.437 118.548 119.070 -0.140 0.000 3.012 20 H HA 0.343 4.909 4.556 0.015 0.000 0.367 20 H C -0.443 174.554 175.328 -0.552 0.000 1.211 20 H CA -0.952 54.807 56.048 -0.481 0.000 1.139 20 H CB 1.343 30.656 29.762 -0.747 0.000 1.838 20 H HN 0.046 nan 8.280 nan 0.000 0.550 21 H N 0.340 119.120 119.070 -0.483 0.000 2.821 21 H HA 0.472 5.037 4.556 0.016 0.000 0.373 21 H C -1.539 173.464 175.328 -0.542 0.000 1.165 21 H CA -0.930 54.878 56.048 -0.400 0.000 1.154 21 H CB 1.267 30.928 29.762 -0.169 0.000 1.765 21 H HN 0.347 nan 8.280 nan 0.000 0.549 22 F N 0.749 120.646 119.950 -0.088 0.000 2.422 22 F HA 0.680 5.217 4.527 0.016 0.000 0.333 22 F C 0.316 176.131 175.800 0.024 0.000 1.095 22 F CA -0.382 57.566 58.000 -0.087 0.000 1.038 22 F CB 2.070 41.047 39.000 -0.038 0.000 1.156 22 F HN 0.850 nan 8.300 nan 0.000 0.483 23 A N 1.582 124.513 122.820 0.184 0.000 2.549 23 A HA 0.823 5.152 4.320 0.016 0.000 0.297 23 A C -1.893 175.851 177.584 0.267 0.000 1.061 23 A CA -0.713 51.458 52.037 0.222 0.000 0.690 23 A CB 1.589 20.733 19.000 0.240 0.000 1.287 23 A HN 0.494 nan 8.150 nan 0.000 0.402 24 V N 1.679 121.711 119.914 0.197 0.000 2.443 24 V HA 0.630 4.760 4.120 0.016 0.000 0.293 24 V C 0.682 176.843 176.094 0.112 0.000 1.021 24 V CA -0.331 62.058 62.300 0.148 0.000 0.848 24 V CB 1.178 33.054 31.823 0.089 0.000 0.998 24 V HN 1.434 nan 8.190 nan 0.000 0.424 25 A N 3.661 126.531 122.820 0.083 0.000 2.445 25 A HA 0.776 5.105 4.320 0.016 0.000 0.242 25 A C 0.636 178.242 177.584 0.036 0.000 1.075 25 A CA 0.672 52.738 52.037 0.050 0.000 0.777 25 A CB 0.384 19.375 19.000 -0.015 0.000 1.013 25 A HN 1.376 nan 8.150 nan 0.000 0.493 26 G N 0.271 109.101 108.800 0.049 0.000 2.698 26 G HA2 0.460 4.429 3.960 0.016 0.000 0.293 26 G HA3 0.460 4.429 3.960 0.016 0.000 0.293 26 G C -0.079 174.858 174.900 0.061 0.000 1.437 26 G CA 0.206 45.337 45.100 0.051 0.000 0.852 26 G HN 0.681 nan 8.290 nan 0.000 0.499 27 D N -0.910 119.516 120.400 0.043 0.000 2.351 27 D HA -0.120 4.529 4.640 0.016 0.000 0.216 27 D C 0.815 177.075 176.300 -0.067 0.000 0.968 27 D CA 1.021 54.998 54.000 -0.039 0.000 0.899 27 D CB -0.023 40.718 40.800 -0.097 0.000 0.907 27 D HN 0.331 nan 8.370 nan 0.000 0.514 28 Y N 0.521 120.904 120.300 0.138 0.000 2.466 28 Y HA 0.134 4.696 4.550 0.020 0.000 0.272 28 Y C 1.122 177.062 175.900 0.067 0.000 1.169 28 Y CA 0.275 58.433 58.100 0.096 0.000 1.285 28 Y CB -0.062 38.459 38.460 0.101 0.000 1.078 28 Y HN 0.155 nan 8.280 nan 0.000 0.523 29 N N -1.624 117.185 118.700 0.181 0.000 2.143 29 N HA 0.044 4.793 4.740 0.016 0.000 0.229 29 N C 0.841 176.406 175.510 0.092 0.000 1.294 29 N CA 0.144 53.270 53.050 0.126 0.000 0.883 29 N CB -0.839 37.718 38.487 0.117 0.000 1.148 29 N HN 0.228 nan 8.380 nan 0.000 0.511 30 L N -0.009 121.260 121.223 0.076 0.000 2.012 30 L HA -0.069 4.281 4.340 0.016 0.000 0.210 30 L C 1.899 178.801 176.870 0.053 0.000 1.073 30 L CA 1.168 56.040 54.840 0.054 0.000 0.748 30 L CB -0.448 41.628 42.059 0.029 0.000 0.891 30 L HN 0.022 nan 8.230 nan 0.000 0.431 31 V N -0.092 119.853 119.914 0.052 0.000 2.358 31 V HA -0.272 3.857 4.120 0.016 0.000 0.246 31 V C 2.410 178.533 176.094 0.047 0.000 1.047 31 V CA 1.491 63.818 62.300 0.045 0.000 1.035 31 V CB -0.410 31.438 31.823 0.042 0.000 0.658 31 V HN 0.312 nan 8.190 nan 0.000 0.452 32 L N -0.128 121.126 121.223 0.053 0.000 2.012 32 L HA -0.185 4.165 4.340 0.016 0.000 0.210 32 L C 2.218 179.118 176.870 0.049 0.000 1.073 32 L CA 1.967 56.833 54.840 0.043 0.000 0.748 32 L CB -0.625 41.458 42.059 0.040 0.000 0.891 32 L HN 0.206 nan 8.230 nan 0.000 0.431 33 L N -0.767 120.502 121.223 0.076 0.000 2.042 33 L HA -0.235 4.115 4.340 0.016 0.000 0.210 33 L C 2.331 179.262 176.870 0.101 0.000 1.076 33 L CA 1.440 56.348 54.840 0.114 0.000 0.749 33 L CB -0.956 41.191 42.059 0.146 0.000 0.893 33 L HN 0.321 nan 8.230 nan 0.000 0.432 34 D N 0.052 120.495 120.400 0.072 0.000 2.104 34 D HA -0.192 4.458 4.640 0.016 0.000 0.194 34 D C 1.961 178.288 176.300 0.046 0.000 0.994 34 D CA 1.164 55.197 54.000 0.055 0.000 0.830 34 D CB -0.337 40.486 40.800 0.038 0.000 0.959 34 D HN 0.349 nan 8.370 nan 0.000 0.452 35 N N 0.350 119.074 118.700 0.039 0.000 2.188 35 N HA -0.077 4.672 4.740 0.016 0.000 0.184 35 N C 2.143 177.669 175.510 0.026 0.000 1.018 35 N CA 0.456 53.523 53.050 0.029 0.000 0.858 35 N CB -0.072 38.434 38.487 0.032 0.000 0.989 35 N HN 0.217 nan 8.380 nan 0.000 0.426 36 L N 1.110 122.346 121.223 0.022 0.000 2.083 36 L HA -0.119 4.230 4.340 0.016 0.000 0.209 36 L C 2.294 179.205 176.870 0.068 0.000 1.083 36 L CA 0.725 55.564 54.840 -0.002 0.000 0.752 36 L CB -0.371 41.636 42.059 -0.086 0.000 0.899 36 L HN 0.140 nan 8.230 nan 0.000 0.433 37 L N -0.529 120.746 121.223 0.088 0.000 2.265 37 L HA -0.210 4.140 4.340 0.016 0.000 0.215 37 L C 2.394 179.287 176.870 0.037 0.000 1.117 37 L CA 0.827 55.713 54.840 0.076 0.000 0.782 37 L CB -0.288 41.816 42.059 0.076 0.000 0.914 37 L HN 0.308 nan 8.230 nan 0.000 0.441 38 L N -0.716 120.521 121.223 0.024 0.000 2.191 38 L HA -0.150 4.199 4.340 0.016 0.000 0.212 38 L C 1.212 178.079 176.870 -0.006 0.000 1.103 38 L CA 0.446 55.287 54.840 0.002 0.000 0.769 38 L CB -0.468 41.585 42.059 -0.011 0.000 0.908 38 L HN 0.305 nan 8.230 nan 0.000 0.438 39 N N 1.049 119.752 118.700 0.005 0.000 2.402 39 N HA -0.008 4.742 4.740 0.016 0.000 0.252 39 N C 0.470 175.977 175.510 -0.005 0.000 1.118 39 N CA 0.103 53.153 53.050 0.000 0.000 0.945 39 N CB 0.956 39.449 38.487 0.009 0.000 1.147 39 N HN 0.001 nan 8.380 nan 0.000 0.495 40 K N 2.246 122.635 120.400 -0.017 0.000 2.487 40 K HA 0.107 4.436 4.320 0.016 0.000 0.192 40 K C 0.332 176.906 176.600 -0.043 0.000 1.027 40 K CA 0.087 56.357 56.287 -0.028 0.000 1.054 40 K CB 0.246 32.731 32.500 -0.026 0.000 0.824 40 K HN 0.498 nan 8.250 nan 0.000 0.510 41 N N 1.126 119.803 118.700 -0.038 0.000 2.398 41 N HA 0.024 4.773 4.740 0.016 0.000 0.188 41 N C 0.683 176.146 175.510 -0.078 0.000 1.122 41 N CA 0.286 53.306 53.050 -0.049 0.000 0.866 41 N CB 0.233 38.702 38.487 -0.029 0.000 0.970 41 N HN 0.383 nan 8.380 nan 0.000 0.462 42 M N -1.700 117.848 119.600 -0.087 0.000 2.569 42 M HA 0.488 4.978 4.480 0.016 0.000 0.279 42 M C -1.578 174.607 176.300 -0.190 0.000 1.253 42 M CA -0.805 54.401 55.300 -0.158 0.000 0.867 42 M CB 2.526 35.081 32.600 -0.075 0.000 1.727 42 M HN -0.302 nan 8.290 nan 0.000 0.467 43 E N 1.103 121.090 120.200 -0.355 0.000 2.214 43 E HA 0.346 4.705 4.350 0.016 0.000 0.274 43 E C -1.452 174.828 176.600 -0.534 0.000 0.977 43 E CA -0.802 55.395 56.400 -0.338 0.000 0.827 43 E CB 2.337 31.865 29.700 -0.287 0.000 1.130 43 E HN 0.612 nan 8.360 nan 0.000 0.394 44 Q N 1.973 121.435 119.800 -0.562 0.000 2.303 44 Q HA 0.310 4.660 4.340 0.016 0.000 0.257 44 Q C -1.407 174.025 176.000 -0.947 0.000 0.941 44 Q CA -0.480 54.778 55.803 -0.909 0.000 0.931 44 Q CB 1.071 29.485 28.738 -0.541 0.000 1.215 44 Q HN 0.255 nan 8.270 nan 0.000 0.437 45 V N 5.280 124.614 119.914 -0.967 0.000 2.417 45 V HA 0.340 4.470 4.120 0.016 0.000 0.291 45 V C -0.985 174.773 176.094 -0.560 0.000 1.024 45 V CA -0.700 61.167 62.300 -0.721 0.000 0.861 45 V CB 0.823 32.251 31.823 -0.660 0.000 0.985 45 V HN 0.660 nan 8.190 nan 0.000 0.436 46 Y N 2.459 122.792 120.300 0.055 0.000 2.352 46 Y HA 0.641 5.200 4.550 0.015 0.000 0.326 46 Y C 0.498 176.470 175.900 0.120 0.000 1.166 46 Y CA -0.732 57.415 58.100 0.077 0.000 1.182 46 Y CB 1.291 39.766 38.460 0.026 0.000 1.216 46 Y HN 0.562 nan 8.280 nan 0.000 0.474 47 C N 0.305 119.756 119.300 0.252 0.000 2.719 47 C HA 0.383 4.853 4.460 0.016 0.000 0.327 47 C C 1.476 176.498 174.990 0.053 0.000 1.238 47 C CA -0.767 58.325 59.018 0.123 0.000 1.727 47 C CB 1.405 29.239 27.740 0.156 0.000 2.256 47 C HN 1.113 nan 8.230 nan 0.000 0.489 48 C N 1.557 120.842 119.300 -0.026 0.000 2.496 48 C HA -0.019 4.451 4.460 0.016 0.000 0.281 48 C C 1.053 176.044 174.990 0.002 0.000 1.250 48 C CA 1.071 60.070 59.018 -0.031 0.000 1.717 48 C CB -1.457 26.239 27.740 -0.073 0.000 2.082 48 C HN 1.011 nan 8.230 nan 0.000 0.472 49 N N -0.087 118.616 118.700 0.006 0.000 2.545 49 N HA 0.338 5.087 4.740 0.016 0.000 0.289 49 N C -0.280 175.240 175.510 0.016 0.000 1.279 49 N CA -0.569 52.490 53.050 0.015 0.000 0.824 49 N CB 0.419 38.918 38.487 0.019 0.000 1.395 49 N HN 0.045 nan 8.380 nan 0.000 0.526 50 E N -0.499 119.703 120.200 0.002 0.000 2.152 50 E HA 0.004 4.364 4.350 0.016 0.000 0.192 50 E C 1.377 177.949 176.600 -0.046 0.000 0.983 50 E CA 0.401 56.793 56.400 -0.013 0.000 0.818 50 E CB -0.198 29.481 29.700 -0.034 0.000 0.758 50 E HN 0.537 nan 8.360 nan 0.000 0.467 51 L N 1.157 122.353 121.223 -0.045 0.000 2.012 51 L HA -0.178 4.171 4.340 0.016 0.000 0.210 51 L C 1.355 178.168 176.870 -0.096 0.000 1.073 51 L CA 1.816 56.593 54.840 -0.105 0.000 0.748 51 L CB -0.507 41.549 42.059 -0.005 0.000 0.891 51 L HN 0.045 nan 8.230 nan 0.000 0.431 52 N N -1.085 117.632 118.700 0.029 0.000 2.244 52 N HA -0.196 4.554 4.740 0.016 0.000 0.183 52 N C 2.036 177.575 175.510 0.048 0.000 1.016 52 N CA 1.405 54.507 53.050 0.087 0.000 0.866 52 N CB -1.102 37.411 38.487 0.044 0.000 0.980 52 N HN 0.550 nan 8.380 nan 0.000 0.430 53 C N 0.613 119.927 119.300 0.022 0.000 2.413 53 C HA -0.018 4.452 4.460 0.016 0.000 0.276 53 C C 2.756 177.718 174.990 -0.047 0.000 1.236 53 C CA 1.387 60.425 59.018 0.033 0.000 1.735 53 C CB -1.278 26.506 27.740 0.073 0.000 2.031 53 C HN 0.513 nan 8.230 nan 0.000 0.474 54 G N -0.852 107.895 108.800 -0.088 0.000 2.418 54 G HA2 -0.157 3.813 3.960 0.016 0.000 0.217 54 G HA3 -0.157 3.813 3.960 0.016 0.000 0.217 54 G C 1.333 176.171 174.900 -0.104 0.000 1.158 54 G CA 0.835 45.851 45.100 -0.139 0.000 0.771 54 G HN 0.485 nan 8.290 nan 0.000 0.545 55 F N 1.718 121.661 119.950 -0.013 0.000 2.293 55 F HA 0.048 4.586 4.527 0.018 0.000 0.300 55 F C 2.988 178.727 175.800 -0.102 0.000 1.086 55 F CA 0.835 58.840 58.000 0.008 0.000 1.375 55 F CB -0.454 38.557 39.000 0.018 0.000 1.045 55 F HN 0.083 nan 8.300 nan 0.000 0.516 56 S N -0.030 115.652 115.700 -0.031 0.000 2.368 56 S HA -0.151 4.328 4.470 0.016 0.000 0.224 56 S C 2.421 176.624 174.600 -0.662 0.000 1.029 56 S CA 1.059 59.063 58.200 -0.327 0.000 0.988 56 S CB -0.649 62.313 63.200 -0.396 0.000 0.838 56 S HN 0.347 nan 8.310 nan 0.000 0.462 57 A N 1.524 123.972 122.820 -0.619 0.000 1.933 57 A HA -0.145 4.185 4.320 0.016 0.000 0.218 57 A C 2.088 179.674 177.584 0.004 0.000 1.175 57 A CA 1.453 53.293 52.037 -0.328 0.000 0.628 57 A CB -0.539 18.412 19.000 -0.083 0.000 0.814 57 A HN 0.455 nan 8.150 nan 0.000 0.444 58 E N -0.092 120.153 120.200 0.076 0.000 2.058 58 E HA -0.174 4.186 4.350 0.016 0.000 0.194 58 E C 2.183 178.930 176.600 0.245 0.000 0.997 58 E CA 1.459 57.989 56.400 0.216 0.000 0.801 58 E CB -0.530 29.403 29.700 0.388 0.000 0.746 58 E HN 0.496 nan 8.360 nan 0.000 0.450 59 G N -0.197 108.718 108.800 0.192 0.000 2.418 59 G HA2 -0.307 3.663 3.960 0.016 0.000 0.217 59 G HA3 -0.307 3.663 3.960 0.016 0.000 0.217 59 G C 1.549 176.571 174.900 0.204 0.000 1.158 59 G CA 0.935 46.154 45.100 0.198 0.000 0.771 59 G HN 0.384 nan 8.290 nan 0.000 0.545 60 Y N 1.899 122.191 120.300 -0.014 0.000 2.165 60 Y HA -0.042 4.517 4.550 0.015 0.000 0.286 60 Y C 2.932 178.849 175.900 0.028 0.000 1.155 60 Y CA 1.498 59.597 58.100 -0.002 0.000 1.164 60 Y CB -0.203 38.331 38.460 0.123 0.000 0.978 60 Y HN 0.250 nan 8.280 nan 0.000 0.513 61 A N 0.224 123.180 122.820 0.226 0.000 2.019 61 A HA -0.173 4.157 4.320 0.016 0.000 0.219 61 A C 2.213 179.843 177.584 0.076 0.000 1.164 61 A CA 1.565 53.690 52.037 0.147 0.000 0.644 61 A CB -0.533 18.562 19.000 0.158 0.000 0.805 61 A HN 0.538 nan 8.150 nan 0.000 0.449 62 R N -0.707 119.874 120.500 0.135 0.000 2.115 62 R HA 0.007 4.356 4.340 0.016 0.000 0.230 62 R C 2.281 178.632 176.300 0.085 0.000 1.111 62 R CA 1.100 57.310 56.100 0.183 0.000 0.976 62 R CB -0.268 30.246 30.300 0.357 0.000 0.870 62 R HN 0.509 nan 8.270 nan 0.000 0.445 63 A N 0.497 123.214 122.820 -0.171 0.000 1.943 63 A HA 0.009 4.339 4.320 0.016 0.000 0.213 63 A C 1.571 178.936 177.584 -0.366 0.000 1.181 63 A CA 0.849 52.586 52.037 -0.500 0.000 0.653 63 A CB 0.303 18.670 19.000 -1.054 0.000 0.833 63 A HN -0.017 nan 8.150 nan 0.000 0.451 64 K N -2.131 118.059 120.400 -0.350 0.000 2.412 64 K HA 0.275 4.605 4.320 0.016 0.000 0.202 64 K C 1.147 177.691 176.600 -0.093 0.000 1.102 64 K CA 0.830 56.956 56.287 -0.267 0.000 1.027 64 K CB 0.979 33.228 32.500 -0.418 0.000 0.931 64 K HN 0.658 nan 8.250 nan 0.000 0.557 65 G N 1.045 109.817 108.800 -0.047 0.000 2.279 65 G HA2 -0.214 3.755 3.960 0.016 0.000 0.223 65 G HA3 -0.214 3.755 3.960 0.016 0.000 0.223 65 G C 0.233 175.167 174.900 0.057 0.000 1.015 65 G CA 0.108 45.214 45.100 0.009 0.000 0.621 65 G HN 0.629 nan 8.290 nan 0.000 0.506 66 A N -0.953 121.927 122.820 0.101 0.000 2.588 66 A HA 1.158 5.487 4.320 0.016 0.000 0.290 66 A C -0.257 177.482 177.584 0.258 0.000 1.136 66 A CA 0.642 52.761 52.037 0.138 0.000 0.681 66 A CB 0.949 20.012 19.000 0.106 0.000 1.282 66 A HN 2.290 nan 8.150 nan 0.000 0.421 67 A N -1.170 121.783 122.820 0.222 0.000 2.564 67 A HA 1.015 5.345 4.320 0.016 0.000 0.291 67 A C -0.789 176.889 177.584 0.157 0.000 1.102 67 A CA 0.025 52.222 52.037 0.268 0.000 0.660 67 A CB 0.577 19.778 19.000 0.335 0.000 1.283 67 A HN 2.671 nan 8.150 nan 0.000 0.430 68 A N -0.652 122.265 122.820 0.162 0.000 2.520 68 A HA 0.952 5.281 4.320 0.016 0.000 0.298 68 A C -0.513 177.190 177.584 0.197 0.000 1.051 68 A CA 0.137 52.252 52.037 0.130 0.000 0.690 68 A CB 1.298 20.341 19.000 0.072 0.000 1.281 68 A HN 2.556 nan 8.150 nan 0.000 0.402 69 A N 1.147 124.054 122.820 0.145 0.000 2.356 69 A HA 0.725 5.055 4.320 0.016 0.000 0.310 69 A C -1.070 176.583 177.584 0.116 0.000 1.075 69 A CA -0.489 51.647 52.037 0.165 0.000 0.746 69 A CB 1.409 20.478 19.000 0.114 0.000 1.221 69 A HN 1.408 nan 8.150 nan 0.000 0.443 70 V N 3.297 123.295 119.914 0.139 0.000 2.409 70 V HA 0.631 4.760 4.120 0.016 0.000 0.291 70 V C 0.191 176.346 176.094 0.101 0.000 1.020 70 V CA -0.355 62.005 62.300 0.101 0.000 0.848 70 V CB 0.949 32.842 31.823 0.116 0.000 0.990 70 V HN 1.130 nan 8.190 nan 0.000 0.430 71 V N 1.675 121.630 119.914 0.068 0.000 3.164 71 V HA 0.797 4.926 4.120 0.016 0.000 0.313 71 V C -0.182 175.950 176.094 0.063 0.000 1.188 71 V CA -0.585 61.749 62.300 0.056 0.000 1.058 71 V CB 1.986 33.821 31.823 0.020 0.000 1.110 71 V HN 0.688 nan 8.190 nan 0.000 0.453 72 T N -0.556 114.031 114.554 0.055 0.000 2.912 72 T HA 0.505 4.865 4.350 0.016 0.000 0.280 72 T C -1.017 173.746 174.700 0.105 0.000 0.989 72 T CA -0.282 61.886 62.100 0.114 0.000 0.995 72 T CB 0.951 69.885 68.868 0.109 0.000 1.077 72 T HN 0.803 nan 8.240 nan 0.000 0.531 73 Y N 2.077 122.418 120.300 0.069 0.000 2.442 73 Y HA 0.303 4.861 4.550 0.012 0.000 0.330 73 Y C 1.436 177.335 175.900 -0.002 0.000 1.129 73 Y CA 1.253 59.343 58.100 -0.017 0.000 1.365 73 Y CB -0.017 38.328 38.460 -0.192 0.000 1.233 73 Y HN 0.975 nan 8.280 nan 0.000 0.529 74 S N 0.930 116.200 115.700 -0.717 0.000 1.577 74 S HA -0.357 4.123 4.470 0.016 0.000 0.240 74 S C 1.361 175.834 174.600 -0.213 0.000 0.755 74 S CA 2.028 59.941 58.200 -0.477 0.000 1.398 74 S CB -1.966 61.104 63.200 -0.217 0.000 1.552 74 S HN 1.142 nan 8.310 nan 0.000 0.510 75 V N 0.744 120.570 119.914 -0.146 0.000 2.427 75 V HA 0.171 4.301 4.120 0.016 0.000 0.248 75 V C 2.181 178.191 176.094 -0.140 0.000 1.051 75 V CA 2.517 64.735 62.300 -0.138 0.000 1.048 75 V CB -1.509 30.164 31.823 -0.249 0.000 0.666 75 V HN 0.695 nan 8.190 nan 0.000 0.456 76 G N -0.394 108.316 108.800 -0.149 0.000 2.471 76 G HA2 0.123 4.092 3.960 0.016 0.000 0.211 76 G HA3 0.123 4.092 3.960 0.016 0.000 0.211 76 G C 1.729 176.521 174.900 -0.180 0.000 1.194 76 G CA 0.854 45.883 45.100 -0.118 0.000 0.816 76 G HN 0.796 nan 8.290 nan 0.000 0.545 77 A N 0.534 123.202 122.820 -0.254 0.000 1.908 77 A HA 0.025 4.355 4.320 0.016 0.000 0.218 77 A C 2.375 179.477 177.584 -0.803 0.000 1.181 77 A CA 1.509 53.292 52.037 -0.422 0.000 0.627 77 A CB -0.512 18.254 19.000 -0.390 0.000 0.818 77 A HN 0.284 nan 8.150 nan 0.000 0.445 78 L N -0.336 120.477 121.223 -0.683 0.000 2.042 78 L HA -0.141 4.208 4.340 0.016 0.000 0.210 78 L C 2.869 179.560 176.870 -0.298 0.000 1.076 78 L CA 2.295 56.763 54.840 -0.620 0.000 0.749 78 L CB -0.856 41.045 42.059 -0.263 0.000 0.893 78 L HN 0.445 nan 8.230 nan 0.000 0.432 79 S N -1.215 114.379 115.700 -0.177 0.000 2.406 79 S HA -0.086 4.394 4.470 0.016 0.000 0.228 79 S C 2.156 176.720 174.600 -0.062 0.000 1.020 79 S CA 0.882 59.047 58.200 -0.058 0.000 0.965 79 S CB -0.175 63.007 63.200 -0.030 0.000 0.798 79 S HN 0.421 nan 8.310 nan 0.000 0.488 80 A N 0.881 123.629 122.820 -0.119 0.000 2.024 80 A HA 0.013 4.343 4.320 0.016 0.000 0.220 80 A C 1.754 179.377 177.584 0.065 0.000 1.164 80 A CA 1.235 53.228 52.037 -0.075 0.000 0.643 80 A CB -0.924 18.044 19.000 -0.053 0.000 0.806 80 A HN 0.589 nan 8.150 nan 0.000 0.451 81 F N 0.558 120.488 119.950 -0.033 0.000 2.202 81 F HA -0.169 4.372 4.527 0.022 0.000 0.301 81 F C 2.167 177.960 175.800 -0.012 0.000 1.082 81 F CA 1.099 59.084 58.000 -0.024 0.000 1.313 81 F CB -0.918 38.078 39.000 -0.007 0.000 1.024 81 F HN 0.336 nan 8.300 nan 0.000 0.495 82 D N 0.110 120.643 120.400 0.222 0.000 2.104 82 D HA -0.151 4.499 4.640 0.016 0.000 0.194 82 D C 2.252 178.603 176.300 0.085 0.000 0.994 82 D CA 1.453 55.623 54.000 0.284 0.000 0.830 82 D CB -0.167 40.803 40.800 0.284 0.000 0.959 82 D HN 0.186 nan 8.370 nan 0.000 0.452 83 A N 0.450 123.085 122.820 -0.309 0.000 1.969 83 A HA -0.087 4.243 4.320 0.016 0.000 0.218 83 A C 2.252 179.668 177.584 -0.280 0.000 1.169 83 A CA 0.690 52.342 52.037 -0.642 0.000 0.635 83 A CB -0.380 18.060 19.000 -0.933 0.000 0.810 83 A HN 0.259 nan 8.150 nan 0.000 0.445 84 I N 0.068 120.550 120.570 -0.147 0.000 2.286 84 I HA -0.137 4.043 4.170 0.016 0.000 0.245 84 I C 2.667 178.652 176.117 -0.219 0.000 1.104 84 I CA 1.333 62.578 61.300 -0.092 0.000 1.397 84 I CB -1.922 36.100 38.000 0.035 0.000 1.072 84 I HN 0.332 nan 8.210 nan 0.000 0.417 85 G N 0.737 109.331 108.800 -0.342 0.000 2.442 85 G HA2 -0.213 3.757 3.960 0.016 0.000 0.219 85 G HA3 -0.213 3.757 3.960 0.016 0.000 0.219 85 G C 1.751 175.794 174.900 -1.428 0.000 1.141 85 G CA 0.929 45.606 45.100 -0.706 0.000 0.763 85 G HN 0.476 nan 8.290 nan 0.000 0.554 86 G N 1.044 108.898 108.800 -1.577 0.000 2.418 86 G HA2 0.051 4.021 3.960 0.016 0.000 0.217 86 G HA3 0.051 4.021 3.960 0.016 0.000 0.217 86 G C 2.056 176.685 174.900 -0.451 0.000 1.158 86 G CA 1.484 45.728 45.100 -1.427 0.000 0.771 86 G HN 0.643 nan 8.290 nan 0.000 0.545 87 A N -0.255 122.428 122.820 -0.228 0.000 1.933 87 A HA -0.026 4.304 4.320 0.016 0.000 0.218 87 A C 2.196 179.737 177.584 -0.071 0.000 1.175 87 A CA 1.656 53.655 52.037 -0.063 0.000 0.628 87 A CB -0.614 18.381 19.000 -0.009 0.000 0.814 87 A HN 0.453 nan 8.150 nan 0.000 0.444 88 Y N 0.468 120.634 120.300 -0.223 0.000 2.145 88 Y HA -0.077 4.490 4.550 0.028 0.000 0.286 88 Y C 2.685 178.513 175.900 -0.121 0.000 1.145 88 Y CA 1.303 59.306 58.100 -0.161 0.000 1.148 88 Y CB -0.460 37.890 38.460 -0.184 0.000 0.981 88 Y HN 0.304 nan 8.280 nan 0.000 0.507 89 A N -0.187 122.662 122.820 0.048 0.000 1.972 89 A HA -0.133 4.196 4.320 0.016 0.000 0.219 89 A C 1.736 179.342 177.584 0.036 0.000 1.169 89 A CA 1.831 53.937 52.037 0.115 0.000 0.635 89 A CB -0.371 18.781 19.000 0.254 0.000 0.810 89 A HN 0.512 nan 8.150 nan 0.000 0.446 90 E N 0.227 120.417 120.200 -0.016 0.000 2.465 90 E HA 0.045 4.405 4.350 0.016 0.000 0.195 90 E C -0.565 176.023 176.600 -0.019 0.000 1.028 90 E CA -0.239 56.158 56.400 -0.006 0.000 0.899 90 E CB -0.218 29.486 29.700 0.007 0.000 1.032 90 E HN 0.600 nan 8.360 nan 0.000 0.468 91 N N 0.877 119.529 118.700 -0.081 0.000 2.725 91 N HA -0.207 4.542 4.740 0.016 0.000 0.251 91 N C -0.694 174.780 175.510 -0.061 0.000 1.031 91 N CA 0.651 53.635 53.050 -0.111 0.000 0.720 91 N CB -1.542 36.895 38.487 -0.084 0.000 0.930 91 N HN 0.230 nan 8.380 nan 0.000 0.543 92 L N 0.380 121.577 121.223 -0.043 0.000 2.333 92 L HA 0.423 4.773 4.340 0.016 0.000 0.280 92 L C -2.081 174.785 176.870 -0.005 0.000 1.004 92 L CA -1.841 53.001 54.840 0.004 0.000 0.820 92 L CB 2.002 44.097 42.059 0.061 0.000 1.247 92 L HN -0.222 nan 8.230 nan 0.000 0.416 93 P HA 0.086 nan 4.420 nan 0.000 0.256 93 P C -0.576 176.744 177.300 0.033 0.000 1.688 93 P CA -0.030 63.069 63.100 -0.002 0.000 1.162 93 P CB 0.204 31.899 31.700 -0.008 0.000 1.870 94 V N 5.122 125.058 119.914 0.038 0.000 2.407 94 V HA 0.285 4.415 4.120 0.016 0.000 0.278 94 V C 0.685 176.808 176.094 0.049 0.000 1.037 94 V CA -0.544 61.792 62.300 0.060 0.000 0.900 94 V CB 1.355 33.215 31.823 0.063 0.000 0.983 94 V HN 0.293 nan 8.190 nan 0.000 0.459 95 I N 5.913 126.512 120.570 0.049 0.000 2.297 95 I HA 0.282 4.461 4.170 0.016 0.000 0.291 95 I C -0.363 175.779 176.117 0.042 0.000 1.033 95 I CA -0.374 60.944 61.300 0.031 0.000 1.253 95 I CB 1.223 39.226 38.000 0.005 0.000 1.396 95 I HN 0.406 nan 8.210 nan 0.000 0.476 96 L N 8.984 130.241 121.223 0.057 0.000 2.260 96 L HA 0.498 4.847 4.340 0.016 0.000 0.289 96 L C -0.640 176.211 176.870 -0.032 0.000 1.057 96 L CA 0.104 54.986 54.840 0.069 0.000 0.811 96 L CB 0.530 42.699 42.059 0.182 0.000 1.184 96 L HN 0.382 nan 8.230 nan 0.000 0.429 97 I N 4.323 124.867 120.570 -0.044 0.000 2.362 97 I HA 0.394 4.574 4.170 0.016 0.000 0.289 97 I C 0.101 176.168 176.117 -0.083 0.000 0.994 97 I CA 0.060 61.290 61.300 -0.117 0.000 1.158 97 I CB 1.715 39.667 38.000 -0.080 0.000 1.315 97 I HN 0.582 nan 8.210 nan 0.000 0.451 98 S N 4.020 119.627 115.700 -0.155 0.000 2.475 98 S HA 0.772 5.252 4.470 0.016 0.000 0.298 98 S C 0.242 174.841 174.600 -0.003 0.000 1.119 98 S CA -0.617 57.561 58.200 -0.036 0.000 1.085 98 S CB 1.041 64.256 63.200 0.025 0.000 1.028 98 S HN 0.785 nan 8.310 nan 0.000 0.489 99 G N 2.028 110.872 108.800 0.074 0.000 2.636 99 G HA2 0.586 4.556 3.960 0.016 0.000 0.246 99 G HA3 0.586 4.556 3.960 0.016 0.000 0.246 99 G C -0.224 174.728 174.900 0.086 0.000 1.216 99 G CA 0.105 45.267 45.100 0.104 0.000 0.854 99 G HN 1.155 nan 8.290 nan 0.000 0.572 100 A N 1.307 124.098 122.820 -0.048 0.000 2.602 100 A HA 0.871 5.201 4.320 0.016 0.000 0.290 100 A C -2.926 174.317 177.584 -0.569 0.000 1.114 100 A CA -1.314 50.521 52.037 -0.337 0.000 0.683 100 A CB 1.197 20.116 19.000 -0.136 0.000 1.281 100 A HN 0.512 nan 8.150 nan 0.000 0.416 101 P HA -0.003 nan 4.420 nan 0.000 0.269 101 P C -0.321 176.845 177.300 -0.222 0.000 1.211 101 P CA -0.247 62.401 63.100 -0.754 0.000 0.781 101 P CB 0.336 31.436 31.700 -1.000 0.000 0.877 102 N N 2.885 121.550 118.700 -0.059 0.000 2.357 102 N HA -0.113 4.636 4.740 0.016 0.000 0.257 102 N C 1.071 176.597 175.510 0.027 0.000 1.250 102 N CA 0.203 53.270 53.050 0.028 0.000 0.862 102 N CB 0.222 38.742 38.487 0.056 0.000 1.066 102 N HN 0.369 nan 8.380 nan 0.000 0.468 103 N N 3.770 122.536 118.700 0.111 0.000 2.520 103 N HA -0.142 4.607 4.740 0.016 0.000 0.185 103 N C 0.326 175.928 175.510 0.154 0.000 1.068 103 N CA 0.939 54.109 53.050 0.201 0.000 0.911 103 N CB -0.277 38.314 38.487 0.174 0.000 0.961 103 N HN 0.472 nan 8.380 nan 0.000 0.446 104 N N 0.529 119.276 118.700 0.079 0.000 2.494 104 N HA -0.055 4.695 4.740 0.016 0.000 0.182 104 N C -0.067 175.458 175.510 0.025 0.000 1.076 104 N CA 0.578 53.662 53.050 0.056 0.000 0.908 104 N CB 0.051 38.576 38.487 0.064 0.000 0.967 104 N HN 0.355 nan 8.380 nan 0.000 0.449 105 D N -0.128 120.253 120.400 -0.033 0.000 2.328 105 D HA 0.017 4.667 4.640 0.016 0.000 0.221 105 D C 0.191 176.364 176.300 -0.211 0.000 1.072 105 D CA 0.249 54.193 54.000 -0.092 0.000 0.850 105 D CB 0.206 40.919 40.800 -0.145 0.000 0.922 105 D HN 0.295 nan 8.370 nan 0.000 0.516 106 H N 0.413 119.451 119.070 -0.054 0.000 2.525 106 H HA 0.336 4.900 4.556 0.013 0.000 0.339 106 H C 1.037 176.326 175.328 -0.065 0.000 1.109 106 H CA -0.142 55.883 56.048 -0.038 0.000 1.352 106 H CB 1.481 31.147 29.762 -0.161 0.000 1.461 106 H HN -0.049 nan 8.280 nan 0.000 0.533 107 A N 1.916 124.781 122.820 0.075 0.000 2.748 107 A HA -0.223 4.106 4.320 0.016 0.000 0.297 107 A C 1.260 178.806 177.584 -0.064 0.000 1.508 107 A CA 1.179 53.219 52.037 0.007 0.000 0.799 107 A CB -1.865 17.136 19.000 0.001 0.000 1.011 107 A HN 0.852 nan 8.150 nan 0.000 0.500 108 A N -1.320 121.416 122.820 -0.139 0.000 2.508 108 A HA 0.583 4.912 4.320 0.016 0.000 0.250 108 A C 2.124 179.507 177.584 -0.335 0.000 1.208 108 A CA 1.255 53.089 52.037 -0.339 0.000 0.960 108 A CB -0.331 18.273 19.000 -0.661 0.000 1.099 108 A HN 2.597 nan 8.150 nan 0.000 0.542 109 G N 0.054 108.784 108.800 -0.117 0.000 2.198 109 G HA2 -0.269 3.701 3.960 0.016 0.000 0.260 109 G HA3 -0.269 3.701 3.960 0.016 0.000 0.260 109 G C -0.140 174.850 174.900 0.149 0.000 1.025 109 G CA 0.614 45.718 45.100 0.007 0.000 0.769 109 G HN 0.816 nan 8.290 nan 0.000 0.507 110 H N -1.047 118.073 119.070 0.083 0.000 2.488 110 H HA 0.464 5.029 4.556 0.016 0.000 0.322 110 H C -0.018 175.412 175.328 0.170 0.000 1.078 110 H CA -1.151 54.955 56.048 0.097 0.000 1.260 110 H CB 1.890 31.692 29.762 0.067 0.000 1.425 110 H HN 0.095 nan 8.280 nan 0.000 0.471 111 V N 6.121 126.187 119.914 0.254 0.000 2.432 111 V HA 0.160 4.289 4.120 0.016 0.000 0.275 111 V C 0.130 176.358 176.094 0.225 0.000 1.043 111 V CA -0.337 62.104 62.300 0.234 0.000 0.925 111 V CB 0.760 32.665 31.823 0.138 0.000 0.985 111 V HN 0.524 nan 8.190 nan 0.000 0.466 112 L N 4.757 126.158 121.223 0.297 0.000 2.333 112 L HA 0.585 4.934 4.340 0.016 0.000 0.269 112 L C 0.300 177.296 176.870 0.209 0.000 1.010 112 L CA -0.993 53.967 54.840 0.199 0.000 0.818 112 L CB 1.735 43.795 42.059 0.002 0.000 1.306 112 L HN 0.760 nan 8.230 nan 0.000 0.430 113 H N 0.839 119.969 119.070 0.099 0.000 2.771 113 H HA 0.061 4.628 4.556 0.018 0.000 0.364 113 H C -0.161 175.270 175.328 0.171 0.000 1.133 113 H CA 0.272 56.331 56.048 0.018 0.000 1.423 113 H CB 0.177 29.820 29.762 -0.198 0.000 1.425 113 H HN 0.772 nan 8.280 nan 0.000 0.606 114 H N -1.293 117.871 119.070 0.157 0.000 2.992 114 H HA -0.098 4.467 4.556 0.015 0.000 0.266 114 H C -0.165 175.325 175.328 0.271 0.000 1.200 114 H CA 0.386 56.541 56.048 0.177 0.000 1.135 114 H CB -1.372 28.504 29.762 0.190 0.000 1.282 114 H HN 0.963 nan 8.280 nan 0.000 0.351 115 A N -0.060 122.988 122.820 0.381 0.000 2.483 115 A HA 0.675 5.005 4.320 0.016 0.000 0.286 115 A C 0.802 178.534 177.584 0.246 0.000 1.207 115 A CA -0.528 51.788 52.037 0.465 0.000 0.764 115 A CB 0.796 20.209 19.000 0.690 0.000 1.341 115 A HN 0.119 nan 8.150 nan 0.000 0.428 116 L N 0.297 121.594 121.223 0.122 0.000 2.465 116 L HA 0.184 4.534 4.340 0.016 0.000 0.224 116 L C 1.696 178.559 176.870 -0.012 0.000 1.145 116 L CA 1.277 56.082 54.840 -0.058 0.000 0.834 116 L CB -0.303 41.573 42.059 -0.306 0.000 0.944 116 L HN 1.307 nan 8.230 nan 0.000 0.451 117 G N -0.372 108.459 108.800 0.052 0.000 2.159 117 G HA2 -0.216 3.753 3.960 0.016 0.000 0.227 117 G HA3 -0.216 3.753 3.960 0.016 0.000 0.227 117 G C 0.306 175.213 174.900 0.011 0.000 0.986 117 G CA -0.177 44.951 45.100 0.047 0.000 0.651 117 G HN 0.313 nan 8.290 nan 0.000 0.523 118 K N -0.592 119.781 120.400 -0.046 0.000 2.416 118 K HA 0.664 4.994 4.320 0.016 0.000 0.244 118 K C 1.503 178.008 176.600 -0.159 0.000 1.044 118 K CA 0.025 56.253 56.287 -0.098 0.000 0.972 118 K CB 0.677 33.089 32.500 -0.146 0.000 1.286 118 K HN 0.194 nan 8.250 nan 0.000 0.500 119 T N -2.387 112.059 114.554 -0.181 0.000 3.092 119 T HA 0.087 4.447 4.350 0.016 0.000 0.258 119 T C -0.328 174.172 174.700 -0.333 0.000 1.031 119 T CA -0.402 61.608 62.100 -0.150 0.000 0.925 119 T CB -0.379 68.485 68.868 -0.008 0.000 1.036 119 T HN 0.563 nan 8.240 nan 0.000 0.544 120 D N 0.141 120.212 120.400 -0.549 0.000 2.419 120 D HA 0.365 5.014 4.640 0.016 0.000 0.234 120 D C -0.976 174.881 176.300 -0.738 0.000 1.014 120 D CA -1.348 52.399 54.000 -0.421 0.000 0.919 120 D CB 0.806 41.557 40.800 -0.080 0.000 1.366 120 D HN 0.179 nan 8.370 nan 0.000 0.490 121 Y N -0.786 119.593 120.300 0.133 0.000 2.712 121 Y HA 0.149 4.710 4.550 0.018 0.000 0.250 121 Y C 0.807 176.790 175.900 0.138 0.000 1.101 121 Y CA -0.595 57.575 58.100 0.118 0.000 1.118 121 Y CB 0.215 38.639 38.460 -0.060 0.000 1.203 121 Y HN 0.614 nan 8.280 nan 0.000 0.587 122 H N -2.183 117.036 119.070 0.248 0.000 2.586 122 H HA 0.027 4.580 4.556 -0.005 0.000 0.273 122 H C 1.316 176.728 175.328 0.140 0.000 0.997 122 H CA 0.231 56.400 56.048 0.201 0.000 1.177 122 H CB -0.399 29.469 29.762 0.176 0.000 1.471 122 H HN 0.567 nan 8.280 nan 0.000 0.538 123 Y N 1.451 121.725 120.300 -0.043 0.000 2.224 123 Y HA -0.135 4.415 4.550 -0.000 0.000 0.289 123 Y C 2.555 178.510 175.900 0.091 0.000 1.146 123 Y CA 1.288 59.387 58.100 -0.001 0.000 1.182 123 Y CB -0.522 37.898 38.460 -0.066 0.000 0.983 123 Y HN 0.185 nan 8.280 nan 0.000 0.524 124 Q N 0.552 120.107 119.800 -0.409 0.000 2.079 124 Q HA -0.176 4.173 4.340 0.016 0.000 0.200 124 Q C 2.225 178.199 176.000 -0.043 0.000 0.974 124 Q CA 1.702 57.414 55.803 -0.152 0.000 0.840 124 Q CB -0.216 28.318 28.738 -0.340 0.000 0.898 124 Q HN 0.593 nan 8.270 nan 0.000 0.430 125 L N 1.214 122.436 121.223 -0.001 0.000 2.012 125 L HA -0.197 4.153 4.340 0.016 0.000 0.210 125 L C 2.026 178.836 176.870 -0.100 0.000 1.073 125 L CA 1.938 56.742 54.840 -0.061 0.000 0.748 125 L CB -0.491 41.668 42.059 0.167 0.000 0.891 125 L HN 0.190 nan 8.230 nan 0.000 0.431 126 E N -0.483 119.737 120.200 0.033 0.000 2.110 126 E HA -0.230 4.130 4.350 0.016 0.000 0.193 126 E C 2.203 178.777 176.600 -0.044 0.000 0.988 126 E CA 1.801 58.222 56.400 0.035 0.000 0.804 126 E CB -0.387 29.400 29.700 0.145 0.000 0.745 126 E HN 0.606 nan 8.360 nan 0.000 0.458 127 M N 0.253 119.832 119.600 -0.035 0.000 2.086 127 M HA -0.107 4.382 4.480 0.016 0.000 0.261 127 M C 2.416 178.469 176.300 -0.413 0.000 1.067 127 M CA 1.589 56.828 55.300 -0.102 0.000 1.116 127 M CB -0.355 32.315 32.600 0.116 0.000 1.348 127 M HN 0.050 nan 8.290 nan 0.000 0.407 128 A N 0.563 122.999 122.820 -0.641 0.000 1.978 128 A HA -0.189 4.141 4.320 0.016 0.000 0.220 128 A C 2.049 179.324 177.584 -0.515 0.000 1.170 128 A CA 1.707 53.180 52.037 -0.941 0.000 0.636 128 A CB -0.619 17.641 19.000 -1.234 0.000 0.810 128 A HN 0.459 nan 8.150 nan 0.000 0.448 129 K N -0.041 120.166 120.400 -0.322 0.000 2.280 129 K HA -0.086 4.243 4.320 0.016 0.000 0.202 129 K C 1.210 177.695 176.600 -0.192 0.000 1.047 129 K CA 1.103 57.280 56.287 -0.184 0.000 0.942 129 K CB -0.176 32.264 32.500 -0.100 0.000 0.739 129 K HN 0.489 nan 8.250 nan 0.000 0.457 130 N N 1.116 119.673 118.700 -0.238 0.000 2.457 130 N HA -0.051 4.698 4.740 0.016 0.000 0.180 130 N C 1.352 176.671 175.510 -0.319 0.000 1.050 130 N CA 0.991 53.907 53.050 -0.223 0.000 0.906 130 N CB 0.320 38.701 38.487 -0.176 0.000 0.968 130 N HN 0.387 nan 8.380 nan 0.000 0.445 131 I N -2.517 117.825 120.570 -0.381 0.000 3.994 131 I HA 0.265 4.444 4.170 0.016 0.000 0.323 131 I C -0.360 175.550 176.117 -0.345 0.000 1.501 131 I CA -0.468 60.552 61.300 -0.467 0.000 1.112 131 I CB 0.563 38.340 38.000 -0.373 0.000 1.254 131 I HN -0.241 nan 8.210 nan 0.000 0.495 132 T N -2.936 111.498 114.554 -0.200 0.000 2.883 132 T HA 0.747 5.107 4.350 0.016 0.000 0.296 132 T C 0.610 175.407 174.700 0.162 0.000 1.117 132 T CA -0.086 62.049 62.100 0.058 0.000 1.006 132 T CB 2.380 71.259 68.868 0.018 0.000 1.191 132 T HN 0.016 nan 8.240 nan 0.000 0.508 133 A N 0.243 123.181 122.820 0.196 0.000 2.132 133 A HA 0.758 5.087 4.320 0.016 0.000 0.213 133 A C 1.086 178.706 177.584 0.060 0.000 1.154 133 A CA 0.596 52.714 52.037 0.135 0.000 0.753 133 A CB -0.564 18.469 19.000 0.056 0.000 0.826 133 A HN 1.625 nan 8.150 nan 0.000 0.469 134 A N -1.588 121.261 122.820 0.048 0.000 2.589 134 A HA 0.724 5.053 4.320 0.016 0.000 0.296 134 A C -0.855 176.787 177.584 0.097 0.000 1.062 134 A CA 0.140 52.211 52.037 0.056 0.000 0.686 134 A CB 0.655 19.619 19.000 -0.061 0.000 1.282 134 A HN 1.622 nan 8.150 nan 0.000 0.404 135 A N 1.669 124.573 122.820 0.139 0.000 2.466 135 A HA 0.735 5.064 4.320 0.016 0.000 0.284 135 A C -1.295 176.411 177.584 0.204 0.000 1.049 135 A CA -0.370 51.798 52.037 0.219 0.000 0.760 135 A CB 1.159 20.236 19.000 0.130 0.000 1.274 135 A HN 0.635 nan 8.150 nan 0.000 0.412 136 E N 0.841 121.160 120.200 0.199 0.000 2.272 136 E HA 0.659 5.018 4.350 0.016 0.000 0.269 136 E C -0.697 175.909 176.600 0.010 0.000 0.877 136 E CA -0.592 55.859 56.400 0.085 0.000 0.755 136 E CB 2.447 32.176 29.700 0.049 0.000 1.192 136 E HN 0.893 nan 8.360 nan 0.000 0.422 137 A N 3.345 126.117 122.820 -0.081 0.000 2.304 137 A HA 0.694 5.023 4.320 0.016 0.000 0.323 137 A C -0.279 176.989 177.584 -0.527 0.000 1.195 137 A CA -0.622 51.229 52.037 -0.310 0.000 0.826 137 A CB 0.349 19.126 19.000 -0.372 0.000 1.184 137 A HN 0.555 nan 8.150 nan 0.000 0.496 138 I N 2.616 122.870 120.570 -0.526 0.000 2.354 138 I HA 0.268 4.448 4.170 0.016 0.000 0.286 138 I C -0.522 175.338 176.117 -0.429 0.000 1.007 138 I CA -0.121 60.939 61.300 -0.400 0.000 1.167 138 I CB 1.062 38.933 38.000 -0.214 0.000 1.320 138 I HN 0.804 nan 8.210 nan 0.000 0.458 139 Y N 3.004 123.264 120.300 -0.067 0.000 2.498 139 Y HA 0.120 4.676 4.550 0.010 0.000 0.259 139 Y C 1.334 177.205 175.900 -0.049 0.000 1.086 139 Y CA -0.292 57.763 58.100 -0.075 0.000 1.287 139 Y CB 0.426 38.800 38.460 -0.143 0.000 1.146 139 Y HN 0.517 nan 8.280 nan 0.000 0.523 140 T N -3.781 110.813 114.554 0.068 0.000 2.906 140 T HA 0.359 4.718 4.350 0.016 0.000 0.295 140 T C -2.438 172.253 174.700 -0.015 0.000 1.061 140 T CA -2.413 59.706 62.100 0.031 0.000 1.000 140 T CB 2.643 71.527 68.868 0.028 0.000 1.103 140 T HN -0.353 nan 8.240 nan 0.000 0.486 141 P HA -0.019 nan 4.420 nan 0.000 0.217 141 P C 1.051 178.311 177.300 -0.066 0.000 1.150 141 P CA 1.004 64.081 63.100 -0.038 0.000 0.832 141 P CB 0.103 31.794 31.700 -0.016 0.000 0.787 142 E N -0.090 120.080 120.200 -0.050 0.000 2.153 142 E HA -0.161 4.198 4.350 0.016 0.000 0.194 142 E C 1.735 178.283 176.600 -0.086 0.000 0.988 142 E CA 1.022 57.385 56.400 -0.061 0.000 0.811 142 E CB -0.663 29.015 29.700 -0.037 0.000 0.746 142 E HN 0.454 nan 8.360 nan 0.000 0.466 143 E N -0.015 120.136 120.200 -0.080 0.000 2.435 143 E HA 0.053 4.413 4.350 0.016 0.000 0.195 143 E C 1.845 178.365 176.600 -0.133 0.000 1.029 143 E CA 0.412 56.758 56.400 -0.090 0.000 0.865 143 E CB 0.087 29.747 29.700 -0.066 0.000 0.833 143 E HN 0.255 nan 8.360 nan 0.000 0.510 144 A N 2.361 125.082 122.820 -0.165 0.000 1.865 144 A HA -0.123 4.206 4.320 0.016 0.000 0.217 144 A C -0.296 177.094 177.584 -0.323 0.000 1.191 144 A CA 1.224 53.133 52.037 -0.214 0.000 0.623 144 A CB -1.446 17.430 19.000 -0.207 0.000 0.826 144 A HN 0.119 nan 8.150 nan 0.000 0.444 145 P HA -0.159 nan 4.420 nan 0.000 0.215 145 P C 1.760 178.906 177.300 -0.257 0.000 1.157 145 P CA 2.147 64.792 63.100 -0.759 0.000 0.874 145 P CB -0.163 31.132 31.700 -0.674 0.000 0.790 146 A N -0.447 122.280 122.820 -0.155 0.000 1.902 146 A HA -0.211 4.118 4.320 0.016 0.000 0.217 146 A C 2.113 179.689 177.584 -0.014 0.000 1.181 146 A CA 1.841 53.843 52.037 -0.057 0.000 0.623 146 A CB -1.040 17.923 19.000 -0.062 0.000 0.818 146 A HN 0.136 nan 8.150 nan 0.000 0.443 147 K N -0.509 119.864 120.400 -0.045 0.000 2.103 147 K HA 0.075 4.404 4.320 0.016 0.000 0.204 147 K C 1.744 178.361 176.600 0.028 0.000 1.052 147 K CA 1.191 57.480 56.287 0.003 0.000 0.945 147 K CB -0.277 32.194 32.500 -0.048 0.000 0.722 147 K HN 0.514 nan 8.250 nan 0.000 0.443 148 I N 1.523 122.086 120.570 -0.011 0.000 2.179 148 I HA -0.306 3.874 4.170 0.016 0.000 0.242 148 I C 1.586 177.739 176.117 0.059 0.000 1.088 148 I CA 1.295 62.613 61.300 0.030 0.000 1.357 148 I CB -0.273 37.779 38.000 0.087 0.000 1.051 148 I HN 0.148 nan 8.210 nan 0.000 0.409 149 D N -0.448 120.009 120.400 0.095 0.000 2.144 149 D HA -0.235 4.415 4.640 0.016 0.000 0.199 149 D C 1.975 178.299 176.300 0.040 0.000 0.984 149 D CA 1.457 55.498 54.000 0.070 0.000 0.834 149 D CB -0.460 40.394 40.800 0.091 0.000 0.955 149 D HN 0.440 nan 8.370 nan 0.000 0.465 150 H N 0.890 119.949 119.070 -0.019 0.000 2.293 150 H HA -0.105 4.459 4.556 0.012 0.000 0.300 150 H C 2.017 177.331 175.328 -0.025 0.000 1.082 150 H CA 2.555 58.589 56.048 -0.023 0.000 1.308 150 H CB -0.302 29.447 29.762 -0.021 0.000 1.375 150 H HN 0.051 nan 8.280 nan 0.000 0.495 151 V N -0.954 118.852 119.914 -0.181 0.000 2.427 151 V HA -0.139 3.991 4.120 0.016 0.000 0.248 151 V C 2.456 178.443 176.094 -0.177 0.000 1.051 151 V CA 1.920 64.088 62.300 -0.219 0.000 1.048 151 V CB -0.831 30.951 31.823 -0.067 0.000 0.666 151 V HN 0.454 nan 8.190 nan 0.000 0.456 152 I N 0.014 120.508 120.570 -0.126 0.000 2.202 152 I HA -0.179 4.000 4.170 0.016 0.000 0.242 152 I C 2.893 178.902 176.117 -0.180 0.000 1.091 152 I CA 1.937 63.158 61.300 -0.133 0.000 1.368 152 I CB -0.418 37.513 38.000 -0.115 0.000 1.058 152 I HN 0.266 nan 8.210 nan 0.000 0.410 153 K N 0.192 120.485 120.400 -0.177 0.000 2.057 153 K HA -0.148 4.181 4.320 0.016 0.000 0.207 153 K C 2.121 178.620 176.600 -0.169 0.000 1.049 153 K CA 1.909 58.090 56.287 -0.177 0.000 0.931 153 K CB -0.303 32.128 32.500 -0.114 0.000 0.714 153 K HN 0.312 nan 8.250 nan 0.000 0.440 154 T N 1.156 115.581 114.554 -0.215 0.000 2.708 154 T HA -0.175 4.185 4.350 0.016 0.000 0.266 154 T C 1.979 176.597 174.700 -0.136 0.000 1.037 154 T CA 1.464 63.448 62.100 -0.194 0.000 1.146 154 T CB -0.303 68.382 68.868 -0.306 0.000 0.865 154 T HN 0.339 nan 8.240 nan 0.000 0.435 155 A N 1.373 124.112 122.820 -0.135 0.000 1.892 155 A HA -0.063 4.266 4.320 0.016 0.000 0.218 155 A C 2.332 179.860 177.584 -0.094 0.000 1.188 155 A CA 1.448 53.427 52.037 -0.098 0.000 0.631 155 A CB -0.967 17.985 19.000 -0.080 0.000 0.822 155 A HN 0.490 nan 8.150 nan 0.000 0.447 156 L N -1.414 119.735 121.223 -0.124 0.000 2.093 156 L HA -0.154 4.196 4.340 0.016 0.000 0.208 156 L C 2.833 179.661 176.870 -0.069 0.000 1.085 156 L CA 1.701 56.472 54.840 -0.115 0.000 0.755 156 L CB -0.462 41.450 42.059 -0.245 0.000 0.904 156 L HN 0.485 nan 8.230 nan 0.000 0.435 157 R N 0.116 120.572 120.500 -0.074 0.000 2.062 157 R HA -0.109 4.240 4.340 0.016 0.000 0.229 157 R C 2.022 178.304 176.300 -0.030 0.000 1.128 157 R CA 1.113 57.192 56.100 -0.035 0.000 0.960 157 R CB 0.129 30.412 30.300 -0.029 0.000 0.855 157 R HN 0.266 nan 8.270 nan 0.000 0.432 158 E N 0.842 121.010 120.200 -0.054 0.000 2.371 158 E HA -0.038 4.322 4.350 0.016 0.000 0.194 158 E C -0.091 176.454 176.600 -0.092 0.000 1.012 158 E CA 0.218 56.578 56.400 -0.066 0.000 0.860 158 E CB 0.293 29.946 29.700 -0.079 0.000 0.811 158 E HN 0.132 nan 8.360 nan 0.000 0.502 159 K N 1.208 121.559 120.400 -0.082 0.000 3.393 159 K HA -0.140 4.190 4.320 0.016 0.000 0.272 159 K C -0.304 176.210 176.600 -0.145 0.000 1.004 159 K CA 0.706 56.940 56.287 -0.087 0.000 0.764 159 K CB -1.271 31.186 32.500 -0.073 0.000 1.373 159 K HN 0.085 nan 8.250 nan 0.000 0.458 160 K N -0.729 119.583 120.400 -0.147 0.000 2.512 160 K HA 0.528 4.858 4.320 0.016 0.000 0.263 160 K C -2.645 173.911 176.600 -0.073 0.000 0.966 160 K CA -2.169 53.995 56.287 -0.205 0.000 0.851 160 K CB 2.001 34.319 32.500 -0.304 0.000 1.395 160 K HN -0.185 nan 8.250 nan 0.000 0.440 161 P HA 0.216 nan 4.420 nan 0.000 0.274 161 P C -0.442 176.894 177.300 0.061 0.000 1.237 161 P CA -0.521 62.603 63.100 0.039 0.000 0.793 161 P CB 0.665 32.402 31.700 0.062 0.000 0.977 162 V N -1.332 118.616 119.914 0.056 0.000 3.160 162 V HA 0.671 4.801 4.120 0.016 0.000 0.310 162 V C -1.580 174.595 176.094 0.135 0.000 1.181 162 V CA -1.123 61.219 62.300 0.070 0.000 1.047 162 V CB 2.052 33.879 31.823 0.006 0.000 1.068 162 V HN 0.527 nan 8.190 nan 0.000 0.441 163 Y N 1.485 121.787 120.300 0.004 0.000 2.425 163 Y HA 0.830 5.400 4.550 0.034 0.000 0.344 163 Y C -1.354 174.559 175.900 0.021 0.000 0.969 163 Y CA -0.992 57.126 58.100 0.028 0.000 1.052 163 Y CB 1.888 40.366 38.460 0.031 0.000 1.215 163 Y HN 0.857 nan 8.280 nan 0.000 0.451 164 L N 6.417 127.303 121.223 -0.561 0.000 2.410 164 L HA 0.464 4.813 4.340 0.016 0.000 0.270 164 L C -1.328 175.099 176.870 -0.737 0.000 0.983 164 L CA -0.773 53.775 54.840 -0.486 0.000 0.822 164 L CB 2.306 44.224 42.059 -0.237 0.000 1.285 164 L HN 0.796 nan 8.230 nan 0.000 0.409 165 E N 4.308 124.196 120.200 -0.521 0.000 2.238 165 E HA 0.696 5.055 4.350 0.016 0.000 0.267 165 E C -1.364 175.114 176.600 -0.202 0.000 0.887 165 E CA -0.808 55.409 56.400 -0.307 0.000 0.769 165 E CB 2.772 32.410 29.700 -0.103 0.000 1.187 165 E HN 0.455 nan 8.360 nan 0.000 0.416 166 I N 2.032 122.526 120.570 -0.127 0.000 2.478 166 I HA 0.384 4.564 4.170 0.016 0.000 0.287 166 I C -0.087 176.006 176.117 -0.040 0.000 1.042 166 I CA -1.168 60.073 61.300 -0.098 0.000 1.067 166 I CB 1.915 39.873 38.000 -0.069 0.000 1.233 166 I HN 0.779 nan 8.210 nan 0.000 0.431 167 A N 4.315 127.124 122.820 -0.017 0.000 2.584 167 A HA -0.025 4.304 4.320 0.016 0.000 0.239 167 A C 1.490 179.104 177.584 0.050 0.000 1.043 167 A CA 0.154 52.219 52.037 0.046 0.000 0.756 167 A CB -0.017 19.059 19.000 0.127 0.000 0.963 167 A HN 1.133 nan 8.150 nan 0.000 0.511 168 C N 1.976 121.322 119.300 0.077 0.000 2.419 168 C HA -0.090 4.379 4.460 0.016 0.000 0.281 168 C C 1.696 176.738 174.990 0.087 0.000 1.336 168 C CA 0.894 59.983 59.018 0.118 0.000 1.770 168 C CB -1.311 26.571 27.740 0.235 0.000 1.929 168 C HN 0.902 nan 8.230 nan 0.000 0.509 169 N N 2.282 121.029 118.700 0.078 0.000 2.322 169 N HA 0.039 4.788 4.740 0.016 0.000 0.194 169 N C 1.074 176.613 175.510 0.048 0.000 1.126 169 N CA 0.790 53.876 53.050 0.061 0.000 0.845 169 N CB -0.694 37.829 38.487 0.060 0.000 0.976 169 N HN 0.868 nan 8.380 nan 0.000 0.475 170 I N -4.955 115.641 120.570 0.043 0.000 4.154 170 I HA 0.480 4.660 4.170 0.016 0.000 0.334 170 I C 1.597 177.727 176.117 0.023 0.000 1.371 170 I CA -0.373 60.945 61.300 0.030 0.000 1.110 170 I CB 0.271 38.285 38.000 0.024 0.000 1.085 170 I HN -0.057 nan 8.210 nan 0.000 0.398 171 A N 1.137 123.973 122.820 0.028 0.000 2.019 171 A HA -0.077 4.252 4.320 0.016 0.000 0.219 171 A C 2.259 179.862 177.584 0.031 0.000 1.164 171 A CA 1.989 54.042 52.037 0.026 0.000 0.644 171 A CB -0.544 18.475 19.000 0.032 0.000 0.805 171 A HN 0.468 nan 8.150 nan 0.000 0.449 172 S N -0.761 114.958 115.700 0.030 0.000 2.556 172 S HA 0.322 4.801 4.470 0.016 0.000 0.216 172 S C 0.572 175.188 174.600 0.027 0.000 0.970 172 S CA -0.223 57.994 58.200 0.028 0.000 0.912 172 S CB -0.241 62.973 63.200 0.024 0.000 0.790 172 S HN 0.515 nan 8.310 nan 0.000 0.504 173 M N 2.554 122.170 119.600 0.027 0.000 2.274 173 M HA 0.306 4.795 4.480 0.016 0.000 0.344 173 M C -2.580 173.738 176.300 0.030 0.000 1.161 173 M CA -2.069 53.245 55.300 0.024 0.000 1.126 173 M CB 0.320 32.931 32.600 0.019 0.000 1.522 173 M HN -0.197 nan 8.290 nan 0.000 0.461 174 P HA 0.121 nan 4.420 nan 0.000 0.268 174 P C -1.046 176.276 177.300 0.037 0.000 1.205 174 P CA -0.445 62.682 63.100 0.045 0.000 0.771 174 P CB 0.411 32.132 31.700 0.036 0.000 0.858 175 C N 0.068 119.405 119.300 0.061 0.000 3.336 175 C HA 0.880 5.349 4.460 0.016 0.000 0.339 175 C C 0.126 175.157 174.990 0.068 0.000 1.468 175 C CA -1.122 57.907 59.018 0.018 0.000 1.287 175 C CB 0.969 28.671 27.740 -0.063 0.000 1.682 175 C HN 0.655 nan 8.230 nan 0.000 0.451 176 A N 0.642 123.473 122.820 0.019 0.000 2.492 176 A HA 0.568 4.897 4.320 0.016 0.000 0.236 176 A C 0.600 178.287 177.584 0.171 0.000 1.078 176 A CA 0.551 52.630 52.037 0.070 0.000 0.773 176 A CB -0.494 18.521 19.000 0.025 0.000 1.023 176 A HN 2.404 nan 8.150 nan 0.000 0.504 177 A N 1.626 124.517 122.820 0.118 0.000 2.302 177 A HA 0.678 5.007 4.320 0.016 0.000 0.285 177 A C -2.393 175.108 177.584 -0.137 0.000 1.105 177 A CA -1.507 50.466 52.037 -0.107 0.000 0.816 177 A CB -0.294 18.703 19.000 -0.006 0.000 1.067 177 A HN 0.651 nan 8.150 nan 0.000 0.489 178 P HA 0.367 nan 4.420 nan 0.000 0.279 178 P C 0.484 177.625 177.300 -0.264 0.000 1.239 178 P CA 0.071 62.856 63.100 -0.524 0.000 0.789 178 P CB 1.002 32.128 31.700 -0.957 0.000 0.933 179 G N 2.710 111.426 108.800 -0.139 0.000 2.494 179 G HA2 0.418 4.387 3.960 0.016 0.000 0.270 179 G HA3 0.418 4.387 3.960 0.016 0.000 0.270 179 G C -2.405 172.446 174.900 -0.082 0.000 1.423 179 G CA -1.250 43.802 45.100 -0.080 0.000 1.055 179 G HN 0.331 nan 8.290 nan 0.000 0.536 180 P HA 0.234 nan 4.420 nan 0.000 0.269 180 P C 0.628 177.923 177.300 -0.008 0.000 1.209 180 P CA 0.381 63.468 63.100 -0.022 0.000 0.776 180 P CB 1.046 32.743 31.700 -0.005 0.000 0.876 181 A N 2.610 125.439 122.820 0.014 0.000 1.940 181 A HA -0.193 4.137 4.320 0.016 0.000 0.219 181 A C 2.113 179.796 177.584 0.164 0.000 1.176 181 A CA 2.151 54.233 52.037 0.076 0.000 0.631 181 A CB -1.681 17.382 19.000 0.105 0.000 0.814 181 A HN 0.623 nan 8.150 nan 0.000 0.446 182 S N 0.305 116.077 115.700 0.120 0.000 2.419 182 S HA -0.049 4.430 4.470 0.016 0.000 0.235 182 S C 1.963 176.647 174.600 0.141 0.000 1.019 182 S CA 1.271 59.558 58.200 0.144 0.000 0.982 182 S CB -0.692 62.542 63.200 0.056 0.000 0.789 182 S HN 0.939 nan 8.310 nan 0.000 0.490 183 A N 1.867 124.731 122.820 0.073 0.000 2.019 183 A HA 0.156 4.485 4.320 0.016 0.000 0.219 183 A C 2.203 179.791 177.584 0.006 0.000 1.164 183 A CA 1.223 53.281 52.037 0.035 0.000 0.644 183 A CB -0.734 18.273 19.000 0.010 0.000 0.805 183 A HN 0.578 nan 8.150 nan 0.000 0.449 184 L N -2.526 118.678 121.223 -0.032 0.000 2.313 184 L HA -0.004 4.346 4.340 0.016 0.000 0.214 184 L C 1.683 178.341 176.870 -0.354 0.000 1.119 184 L CA 0.712 55.417 54.840 -0.225 0.000 0.809 184 L CB -0.293 41.543 42.059 -0.371 0.000 0.933 184 L HN 0.381 nan 8.230 nan 0.000 0.449 185 F N -1.073 118.860 119.950 -0.029 0.000 2.721 185 F HA 0.123 4.660 4.527 0.018 0.000 0.301 185 F C 1.077 176.858 175.800 -0.031 0.000 1.096 185 F CA -0.724 57.256 58.000 -0.034 0.000 1.308 185 F CB -0.268 38.709 39.000 -0.039 0.000 1.086 185 F HN -0.021 nan 8.300 nan 0.000 0.587 186 N N 1.835 120.603 118.700 0.112 0.000 2.411 186 N HA 0.005 4.754 4.740 0.016 0.000 0.265 186 N C -0.919 174.618 175.510 0.045 0.000 1.266 186 N CA 0.656 53.746 53.050 0.067 0.000 0.889 186 N CB 0.100 38.614 38.487 0.045 0.000 1.069 186 N HN 0.066 nan 8.380 nan 0.000 0.476 187 D N 0.561 120.988 120.400 0.045 0.000 2.596 187 D HA 0.153 4.803 4.640 0.016 0.000 0.234 187 D C -1.034 175.308 176.300 0.071 0.000 1.181 187 D CA -0.619 53.412 54.000 0.051 0.000 0.856 187 D CB 1.058 41.880 40.800 0.038 0.000 1.498 187 D HN 0.593 nan 8.370 nan 0.000 0.446 188 E N 0.669 120.934 120.200 0.107 0.000 2.415 188 E HA 0.449 4.808 4.350 0.016 0.000 0.262 188 E C -0.500 176.230 176.600 0.217 0.000 1.038 188 E CA -0.694 55.781 56.400 0.125 0.000 0.921 188 E CB 0.826 30.584 29.700 0.096 0.000 0.950 188 E HN 0.350 nan 8.360 nan 0.000 0.438 189 A N 2.927 125.838 122.820 0.152 0.000 2.272 189 A HA 0.290 4.620 4.320 0.016 0.000 0.275 189 A C 0.055 177.756 177.584 0.195 0.000 1.096 189 A CA -0.639 51.504 52.037 0.177 0.000 0.822 189 A CB 0.722 19.775 19.000 0.088 0.000 1.088 189 A HN 0.648 nan 8.150 nan 0.000 0.495 190 S N 0.293 116.128 115.700 0.226 0.000 2.558 190 S HA 0.098 4.578 4.470 0.016 0.000 0.288 190 S C 0.067 174.686 174.600 0.032 0.000 1.318 190 S CA 0.097 58.339 58.200 0.070 0.000 1.056 190 S CB 0.183 63.436 63.200 0.089 0.000 0.853 190 S HN 0.733 nan 8.310 nan 0.000 0.505 191 D N 1.335 121.733 120.400 -0.003 0.000 2.382 191 D HA 0.062 4.711 4.640 0.016 0.000 0.259 191 D C 1.040 177.349 176.300 0.015 0.000 1.224 191 D CA 0.022 54.028 54.000 0.010 0.000 0.894 191 D CB 0.673 41.478 40.800 0.009 0.000 1.127 191 D HN 0.506 nan 8.370 nan 0.000 0.487 192 E N 3.694 123.904 120.200 0.018 0.000 2.058 192 E HA -0.212 4.147 4.350 0.016 0.000 0.194 192 E C 1.808 178.412 176.600 0.008 0.000 0.997 192 E CA 1.854 58.262 56.400 0.013 0.000 0.801 192 E CB -0.342 29.366 29.700 0.013 0.000 0.746 192 E HN 0.584 nan 8.360 nan 0.000 0.450 193 A N -0.255 122.575 122.820 0.017 0.000 1.902 193 A HA -0.176 4.153 4.320 0.016 0.000 0.217 193 A C 2.441 180.040 177.584 0.025 0.000 1.181 193 A CA 2.019 54.070 52.037 0.023 0.000 0.623 193 A CB -0.726 18.295 19.000 0.035 0.000 0.818 193 A HN 0.294 nan 8.150 nan 0.000 0.443 194 S N -0.558 115.166 115.700 0.041 0.000 2.368 194 S HA -0.113 4.367 4.470 0.016 0.000 0.224 194 S C 1.871 176.421 174.600 -0.083 0.000 1.029 194 S CA 1.308 59.546 58.200 0.065 0.000 0.988 194 S CB -0.441 62.824 63.200 0.109 0.000 0.838 194 S HN 0.526 nan 8.310 nan 0.000 0.462 195 L N 3.017 124.212 121.223 -0.047 0.000 2.012 195 L HA -0.099 4.250 4.340 0.016 0.000 0.210 195 L C 1.697 178.517 176.870 -0.084 0.000 1.073 195 L CA 1.823 56.635 54.840 -0.048 0.000 0.748 195 L CB -1.014 41.046 42.059 0.001 0.000 0.891 195 L HN 0.149 nan 8.230 nan 0.000 0.431 196 N N 0.200 118.859 118.700 -0.068 0.000 2.120 196 N HA -0.129 4.620 4.740 0.016 0.000 0.188 196 N C 1.821 177.258 175.510 -0.121 0.000 1.024 196 N CA 1.630 54.638 53.050 -0.069 0.000 0.852 196 N CB -0.467 38.000 38.487 -0.033 0.000 1.003 196 N HN 0.554 nan 8.380 nan 0.000 0.424 197 A N 1.063 123.783 122.820 -0.166 0.000 1.902 197 A HA 0.048 4.378 4.320 0.016 0.000 0.217 197 A C 2.382 179.607 177.584 -0.599 0.000 1.181 197 A CA 1.825 53.724 52.037 -0.231 0.000 0.623 197 A CB -0.733 18.248 19.000 -0.032 0.000 0.818 197 A HN 0.317 nan 8.150 nan 0.000 0.443 198 A N -0.553 121.689 122.820 -0.963 0.000 1.902 198 A HA 0.002 4.331 4.320 0.016 0.000 0.217 198 A C 2.229 179.676 177.584 -0.229 0.000 1.181 198 A CA 1.781 53.217 52.037 -1.002 0.000 0.623 198 A CB -0.905 17.640 19.000 -0.759 0.000 0.818 198 A HN 0.373 nan 8.150 nan 0.000 0.443 199 V N 0.092 119.948 119.914 -0.097 0.000 2.295 199 V HA -0.205 3.925 4.120 0.016 0.000 0.246 199 V C 2.637 178.706 176.094 -0.042 0.000 1.049 199 V CA 2.137 64.407 62.300 -0.050 0.000 1.024 199 V CB -0.688 31.077 31.823 -0.097 0.000 0.648 199 V HN 0.484 nan 8.190 nan 0.000 0.447 200 E N -0.062 120.103 120.200 -0.058 0.000 2.051 200 E HA -0.187 4.172 4.350 0.016 0.000 0.192 200 E C 2.319 178.935 176.600 0.026 0.000 0.991 200 E CA 1.040 57.432 56.400 -0.013 0.000 0.799 200 E CB -0.294 29.399 29.700 -0.011 0.000 0.748 200 E HN 0.559 nan 8.360 nan 0.000 0.449 201 E N -0.022 120.187 120.200 0.015 0.000 2.153 201 E HA -0.097 4.263 4.350 0.016 0.000 0.194 201 E C 2.040 178.725 176.600 0.141 0.000 0.988 201 E CA 0.953 57.414 56.400 0.101 0.000 0.811 201 E CB -0.288 29.510 29.700 0.164 0.000 0.746 201 E HN 0.252 nan 8.360 nan 0.000 0.466 202 T N 1.751 116.371 114.554 0.111 0.000 2.777 202 T HA -0.045 4.315 4.350 0.016 0.000 0.266 202 T C 2.157 176.968 174.700 0.185 0.000 1.040 202 T CA 0.642 62.842 62.100 0.166 0.000 1.141 202 T CB -0.169 68.789 68.868 0.150 0.000 0.868 202 T HN 0.095 nan 8.240 nan 0.000 0.444 203 L N 0.462 121.753 121.223 0.113 0.000 2.046 203 L HA -0.116 4.234 4.340 0.016 0.000 0.208 203 L C 2.650 179.582 176.870 0.104 0.000 1.077 203 L CA 1.470 56.366 54.840 0.095 0.000 0.747 203 L CB -0.510 41.581 42.059 0.054 0.000 0.896 203 L HN 0.206 nan 8.230 nan 0.000 0.432 204 K N -0.587 119.881 120.400 0.114 0.000 2.097 204 K HA -0.205 4.124 4.320 0.016 0.000 0.206 204 K C 2.011 178.694 176.600 0.140 0.000 1.049 204 K CA 1.473 57.826 56.287 0.110 0.000 0.933 204 K CB -0.219 32.349 32.500 0.114 0.000 0.717 204 K HN 0.085 nan 8.250 nan 0.000 0.442 205 F N 1.614 121.595 119.950 0.050 0.000 2.146 205 F HA -0.067 4.470 4.527 0.017 0.000 0.298 205 F C 1.657 177.484 175.800 0.045 0.000 1.096 205 F CA 1.097 59.128 58.000 0.051 0.000 1.275 205 F CB 0.056 39.095 39.000 0.065 0.000 1.008 205 F HN -0.055 nan 8.300 nan 0.000 0.480 206 I N -2.016 118.603 120.570 0.082 0.000 3.793 206 I HA 0.336 4.516 4.170 0.016 0.000 0.315 206 I C 1.908 178.007 176.117 -0.030 0.000 1.275 206 I CA 0.637 61.930 61.300 -0.011 0.000 1.214 206 I CB -0.872 37.194 38.000 0.111 0.000 1.018 206 I HN 0.052 nan 8.210 nan 0.000 0.439 207 A N 2.482 125.290 122.820 -0.021 0.000 1.873 207 A HA -0.193 4.136 4.320 0.016 0.000 0.218 207 A C 1.700 179.262 177.584 -0.037 0.000 1.193 207 A CA 1.832 53.861 52.037 -0.014 0.000 0.629 207 A CB -0.775 18.224 19.000 -0.002 0.000 0.826 207 A HN 0.684 nan 8.150 nan 0.000 0.447 208 N N -0.302 118.355 118.700 -0.072 0.000 2.458 208 N HA 0.192 4.941 4.740 0.016 0.000 0.274 208 N C -0.901 174.548 175.510 -0.102 0.000 1.242 208 N CA -0.064 52.943 53.050 -0.072 0.000 0.904 208 N CB 0.443 38.891 38.487 -0.064 0.000 1.206 208 N HN 0.332 nan 8.380 nan 0.000 0.510 209 R N 0.524 120.961 120.500 -0.107 0.000 2.487 209 R HA 0.091 4.440 4.340 0.016 0.000 0.288 209 R C -0.208 176.060 176.300 -0.054 0.000 1.394 209 R CA -0.396 55.639 56.100 -0.109 0.000 1.155 209 R CB 1.247 31.435 30.300 -0.187 0.000 1.156 209 R HN 0.037 nan 8.270 nan 0.000 0.553 210 D N 2.030 122.407 120.400 -0.037 0.000 2.149 210 D HA -0.081 4.568 4.640 0.016 0.000 0.201 210 D C -0.130 176.168 176.300 -0.005 0.000 0.972 210 D CA 1.206 55.198 54.000 -0.013 0.000 0.835 210 D CB 0.522 41.319 40.800 -0.004 0.000 0.966 210 D HN 0.167 nan 8.370 nan 0.000 0.476 211 K N 0.572 120.961 120.400 -0.019 0.000 2.127 211 K HA 0.231 4.560 4.320 0.016 0.000 0.261 211 K C -0.982 175.616 176.600 -0.003 0.000 1.129 211 K CA -0.262 56.016 56.287 -0.016 0.000 0.993 211 K CB 1.407 33.866 32.500 -0.068 0.000 1.410 211 K HN -0.050 nan 8.250 nan 0.000 0.380 212 V N 2.613 122.538 119.914 0.018 0.000 2.350 212 V HA 0.358 4.488 4.120 0.016 0.000 0.276 212 V C 0.152 176.267 176.094 0.034 0.000 1.028 212 V CA -0.842 61.484 62.300 0.043 0.000 0.860 212 V CB 1.185 33.044 31.823 0.060 0.000 0.990 212 V HN 0.688 nan 8.190 nan 0.000 0.453 213 A N 4.995 127.841 122.820 0.044 0.000 2.312 213 A HA 0.853 5.182 4.320 0.016 0.000 0.328 213 A C -0.590 177.022 177.584 0.048 0.000 1.158 213 A CA -0.546 51.506 52.037 0.024 0.000 0.821 213 A CB 1.459 20.471 19.000 0.020 0.000 1.170 213 A HN 0.629 nan 8.150 nan 0.000 0.490 214 V N 2.543 122.462 119.914 0.008 0.000 2.417 214 V HA 0.396 4.526 4.120 0.016 0.000 0.291 214 V C -0.720 175.366 176.094 -0.012 0.000 1.024 214 V CA -0.404 61.921 62.300 0.041 0.000 0.861 214 V CB 1.201 33.043 31.823 0.031 0.000 0.985 214 V HN 0.746 nan 8.190 nan 0.000 0.436 215 L N 6.772 128.016 121.223 0.034 0.000 2.294 215 L HA 0.576 4.926 4.340 0.016 0.000 0.283 215 L C -0.324 176.549 176.870 0.005 0.000 1.015 215 L CA 0.054 54.903 54.840 0.015 0.000 0.831 215 L CB 1.567 43.672 42.059 0.076 0.000 1.217 215 L HN 0.450 nan 8.230 nan 0.000 0.420 216 V N 5.369 125.265 119.914 -0.031 0.000 2.432 216 V HA 0.636 4.765 4.120 0.016 0.000 0.271 216 V C 0.957 177.035 176.094 -0.027 0.000 1.046 216 V CA 0.024 62.328 62.300 0.006 0.000 0.945 216 V CB 0.719 32.564 31.823 0.036 0.000 0.992 216 V HN 0.890 nan 8.190 nan 0.000 0.471 217 G N 2.602 111.393 108.800 -0.015 0.000 2.521 217 G HA2 0.444 4.414 3.960 0.016 0.000 0.323 217 G HA3 0.444 4.414 3.960 0.016 0.000 0.323 217 G C 0.790 175.693 174.900 0.006 0.000 1.211 217 G CA 0.156 45.202 45.100 -0.090 0.000 0.979 217 G HN 0.789 nan 8.290 nan 0.000 0.490 218 S N -1.294 114.360 115.700 -0.076 0.000 2.603 218 S HA 0.056 4.535 4.470 0.016 0.000 0.220 218 S C 1.274 175.994 174.600 0.201 0.000 0.967 218 S CA 0.327 58.535 58.200 0.014 0.000 0.920 218 S CB 0.074 63.178 63.200 -0.160 0.000 0.773 218 S HN 0.500 nan 8.310 nan 0.000 0.529 219 K N 0.230 120.685 120.400 0.092 0.000 2.372 219 K HA 0.350 4.679 4.320 0.016 0.000 0.200 219 K C 1.155 177.778 176.600 0.038 0.000 1.022 219 K CA -0.185 56.135 56.287 0.055 0.000 1.125 219 K CB 0.051 32.545 32.500 -0.010 0.000 0.855 219 K HN 0.176 nan 8.250 nan 0.000 0.524 220 L N 1.481 122.761 121.223 0.095 0.000 2.046 220 L HA -0.130 4.220 4.340 0.016 0.000 0.208 220 L C 2.313 179.096 176.870 -0.146 0.000 1.077 220 L CA 1.743 56.592 54.840 0.015 0.000 0.747 220 L CB -0.214 41.913 42.059 0.114 0.000 0.896 220 L HN 0.102 nan 8.230 nan 0.000 0.432 221 R N -0.768 119.508 120.500 -0.374 0.000 2.075 221 R HA -0.113 4.237 4.340 0.016 0.000 0.232 221 R C 2.159 178.341 176.300 -0.197 0.000 1.126 221 R CA 1.224 57.070 56.100 -0.423 0.000 0.963 221 R CB -0.353 29.512 30.300 -0.724 0.000 0.858 221 R HN 0.433 nan 8.270 nan 0.000 0.435 222 A N 0.694 123.440 122.820 -0.122 0.000 1.978 222 A HA -0.087 4.242 4.320 0.016 0.000 0.220 222 A C 2.210 179.761 177.584 -0.054 0.000 1.170 222 A CA 1.645 53.641 52.037 -0.069 0.000 0.636 222 A CB -0.603 18.369 19.000 -0.046 0.000 0.810 222 A HN 0.528 nan 8.150 nan 0.000 0.448 223 A N -1.546 121.245 122.820 -0.049 0.000 2.206 223 A HA 0.398 4.727 4.320 0.016 0.000 0.211 223 A C 1.787 179.348 177.584 -0.039 0.000 1.158 223 A CA 1.151 53.174 52.037 -0.023 0.000 0.761 223 A CB -1.070 17.930 19.000 -0.001 0.000 0.801 223 A HN 1.893 nan 8.150 nan 0.000 0.473 224 G N -1.750 107.007 108.800 -0.071 0.000 2.273 224 G HA2 -0.014 3.955 3.960 0.016 0.000 0.280 224 G HA3 -0.014 3.955 3.960 0.016 0.000 0.280 224 G C 0.615 175.477 174.900 -0.063 0.000 1.047 224 G CA 0.450 45.502 45.100 -0.079 0.000 0.869 224 G HN 1.576 nan 8.290 nan 0.000 0.502 225 A N -1.129 121.659 122.820 -0.053 0.000 2.564 225 A HA 0.608 4.937 4.320 0.016 0.000 0.279 225 A C 1.429 179.011 177.584 -0.003 0.000 1.232 225 A CA 1.016 53.044 52.037 -0.014 0.000 0.950 225 A CB 0.187 19.198 19.000 0.018 0.000 1.138 225 A HN 0.491 nan 8.150 nan 0.000 0.526 226 E N 0.259 120.431 120.200 -0.046 0.000 2.051 226 E HA -0.230 4.130 4.350 0.016 0.000 0.192 226 E C 1.781 178.369 176.600 -0.020 0.000 0.991 226 E CA 1.447 57.827 56.400 -0.034 0.000 0.799 226 E CB -0.018 29.617 29.700 -0.109 0.000 0.748 226 E HN 0.789 nan 8.360 nan 0.000 0.449 227 E N 0.514 120.689 120.200 -0.042 0.000 2.077 227 E HA -0.201 4.158 4.350 0.016 0.000 0.193 227 E C 2.015 178.615 176.600 -0.001 0.000 0.989 227 E CA 0.988 57.363 56.400 -0.041 0.000 0.800 227 E CB -0.065 29.606 29.700 -0.049 0.000 0.746 227 E HN 0.221 nan 8.360 nan 0.000 0.452 228 A N 1.004 123.835 122.820 0.018 0.000 1.972 228 A HA -0.051 4.278 4.320 0.016 0.000 0.219 228 A C 2.329 179.985 177.584 0.121 0.000 1.169 228 A CA 1.548 53.614 52.037 0.049 0.000 0.635 228 A CB -0.574 18.445 19.000 0.031 0.000 0.810 228 A HN 0.411 nan 8.150 nan 0.000 0.446 229 A N -0.485 122.425 122.820 0.150 0.000 1.930 229 A HA 0.026 4.355 4.320 0.016 0.000 0.217 229 A C 2.186 179.980 177.584 0.349 0.000 1.175 229 A CA 1.708 53.916 52.037 0.286 0.000 0.627 229 A CB -0.770 18.418 19.000 0.313 0.000 0.815 229 A HN 0.368 nan 8.150 nan 0.000 0.443 230 V N 0.335 120.353 119.914 0.173 0.000 2.358 230 V HA -0.248 3.881 4.120 0.016 0.000 0.246 230 V C 2.423 178.570 176.094 0.087 0.000 1.047 230 V CA 2.172 64.512 62.300 0.066 0.000 1.035 230 V CB -0.658 31.075 31.823 -0.149 0.000 0.658 230 V HN 0.504 nan 8.190 nan 0.000 0.452 231 K N -0.510 119.937 120.400 0.077 0.000 2.063 231 K HA -0.203 4.127 4.320 0.016 0.000 0.208 231 K C 2.151 178.807 176.600 0.093 0.000 1.048 231 K CA 1.870 58.196 56.287 0.065 0.000 0.928 231 K CB -0.425 32.107 32.500 0.053 0.000 0.713 231 K HN 0.477 nan 8.250 nan 0.000 0.442 232 F N 1.759 121.711 119.950 0.004 0.000 2.134 232 F HA -0.141 4.396 4.527 0.016 0.000 0.299 232 F C 2.136 177.920 175.800 -0.027 0.000 1.097 232 F CA 1.353 59.340 58.000 -0.022 0.000 1.264 232 F CB -0.428 38.557 39.000 -0.025 0.000 1.001 232 F HN -0.053 nan 8.300 nan 0.000 0.479 233 A N -0.208 122.457 122.820 -0.258 0.000 1.968 233 A HA -0.093 4.237 4.320 0.016 0.000 0.217 233 A C 1.904 179.188 177.584 -0.500 0.000 1.169 233 A CA 1.543 53.311 52.037 -0.449 0.000 0.638 233 A CB -0.869 18.105 19.000 -0.043 0.000 0.812 233 A HN 0.411 nan 8.150 nan 0.000 0.446 234 D N 0.372 120.643 120.400 -0.215 0.000 2.144 234 D HA -0.054 4.595 4.640 0.016 0.000 0.199 234 D C 2.180 178.387 176.300 -0.156 0.000 0.984 234 D CA 1.526 55.459 54.000 -0.112 0.000 0.834 234 D CB -0.329 40.495 40.800 0.039 0.000 0.955 234 D HN 0.419 nan 8.370 nan 0.000 0.465 235 A N 0.352 123.069 122.820 -0.172 0.000 1.929 235 A HA -0.076 4.254 4.320 0.016 0.000 0.216 235 A C 2.138 179.598 177.584 -0.206 0.000 1.176 235 A CA 0.787 52.743 52.037 -0.135 0.000 0.628 235 A CB -0.578 18.381 19.000 -0.068 0.000 0.816 235 A HN 0.239 nan 8.150 nan 0.000 0.444 236 L N -0.729 120.252 121.223 -0.405 0.000 2.072 236 L HA 0.182 4.531 4.340 0.016 0.000 0.205 236 L C 1.724 178.428 176.870 -0.276 0.000 1.079 236 L CA 2.067 56.669 54.840 -0.396 0.000 0.752 236 L CB -0.525 41.108 42.059 -0.709 0.000 0.906 236 L HN 0.736 nan 8.230 nan 0.000 0.436 237 G N -1.422 107.146 108.800 -0.386 0.000 2.153 237 G HA2 -0.236 3.733 3.960 0.016 0.000 0.252 237 G HA3 -0.236 3.733 3.960 0.016 0.000 0.252 237 G C 0.638 175.487 174.900 -0.085 0.000 0.994 237 G CA 0.287 45.266 45.100 -0.203 0.000 0.698 237 G HN 0.867 nan 8.290 nan 0.000 0.521 238 G N -0.673 108.007 108.800 -0.199 0.000 2.535 238 G HA2 0.784 4.754 3.960 0.016 0.000 0.303 238 G HA3 0.784 4.754 3.960 0.016 0.000 0.303 238 G C 0.438 175.317 174.900 -0.035 0.000 1.237 238 G CA 0.226 45.279 45.100 -0.079 0.000 0.986 238 G HN 1.507 nan 8.290 nan 0.000 0.494 239 A N -0.933 121.878 122.820 -0.016 0.000 2.401 239 A HA 0.541 4.871 4.320 0.016 0.000 0.259 239 A C -0.244 177.266 177.584 -0.125 0.000 1.103 239 A CA -0.188 51.813 52.037 -0.060 0.000 0.789 239 A CB 0.593 19.552 19.000 -0.069 0.000 1.035 239 A HN 0.808 nan 8.150 nan 0.000 0.491 240 V N 1.831 121.636 119.914 -0.182 0.000 2.448 240 V HA 0.679 4.809 4.120 0.016 0.000 0.295 240 V C 0.377 176.288 176.094 -0.304 0.000 1.025 240 V CA -0.124 62.010 62.300 -0.277 0.000 0.859 240 V CB 1.193 32.703 31.823 -0.521 0.000 0.988 240 V HN 1.220 nan 8.190 nan 0.000 0.431 241 A N 3.165 125.838 122.820 -0.246 0.000 2.374 241 A HA 0.909 5.238 4.320 0.016 0.000 0.317 241 A C 0.060 177.581 177.584 -0.105 0.000 1.094 241 A CA -0.551 51.343 52.037 -0.238 0.000 0.765 241 A CB 1.673 20.550 19.000 -0.206 0.000 1.268 241 A HN 0.886 nan 8.150 nan 0.000 0.438 242 T N 0.306 114.846 114.554 -0.024 0.000 2.829 242 T HA 0.617 4.977 4.350 0.016 0.000 0.282 242 T C 0.332 174.947 174.700 -0.140 0.000 0.990 242 T CA -0.535 61.541 62.100 -0.041 0.000 1.028 242 T CB 0.470 69.350 68.868 0.020 0.000 0.951 242 T HN 0.546 nan 8.240 nan 0.000 0.460 243 M N 2.149 121.638 119.600 -0.187 0.000 2.232 243 M HA 0.320 4.809 4.480 0.016 0.000 0.321 243 M C 1.945 177.959 176.300 -0.477 0.000 1.101 243 M CA -0.480 54.639 55.300 -0.301 0.000 1.181 243 M CB 0.318 32.740 32.600 -0.295 0.000 1.432 243 M HN 0.947 nan 8.290 nan 0.000 0.457 244 A N 1.811 124.146 122.820 -0.809 0.000 1.884 244 A HA -0.174 4.155 4.320 0.016 0.000 0.219 244 A C 2.077 179.145 177.584 -0.860 0.000 1.197 244 A CA 2.420 53.790 52.037 -1.111 0.000 0.637 244 A CB -1.175 16.372 19.000 -2.422 0.000 0.827 244 A HN 0.958 nan 8.150 nan 0.000 0.450 245 A N -1.185 121.143 122.820 -0.821 0.000 2.239 245 A HA 0.423 4.753 4.320 0.016 0.000 0.209 245 A C 1.833 179.056 177.584 -0.602 0.000 1.171 245 A CA 1.308 52.964 52.037 -0.635 0.000 0.768 245 A CB -0.571 18.099 19.000 -0.551 0.000 0.790 245 A HN 1.125 nan 8.150 nan 0.000 0.478 246 A N -0.665 121.782 122.820 -0.621 0.000 2.423 246 A HA 0.359 4.688 4.320 0.016 0.000 0.246 246 A C 0.836 177.993 177.584 -0.712 0.000 1.278 246 A CA -0.175 51.342 52.037 -0.866 0.000 0.903 246 A CB -0.310 18.461 19.000 -0.381 0.000 0.997 246 A HN 0.265 nan 8.150 nan 0.000 0.510 247 K N 1.365 121.486 120.400 -0.465 0.000 2.491 247 K HA 0.147 4.476 4.320 0.016 0.000 0.279 247 K C 1.019 177.481 176.600 -0.231 0.000 1.026 247 K CA 1.288 57.425 56.287 -0.251 0.000 1.070 247 K CB -0.161 32.269 32.500 -0.116 0.000 0.887 247 K HN 1.076 nan 8.250 nan 0.000 0.481 248 S N 2.681 118.330 115.700 -0.086 0.000 2.765 248 S HA -0.153 4.326 4.470 0.016 0.000 0.266 248 S C 0.739 175.481 174.600 0.236 0.000 1.302 248 S CA 0.799 59.013 58.200 0.024 0.000 1.274 248 S CB -2.214 60.992 63.200 0.010 0.000 1.559 248 S HN 0.504 nan 8.310 nan 0.000 0.658 249 F N 1.009 120.936 119.950 -0.039 0.000 2.748 249 F HA 0.583 5.119 4.527 0.015 0.000 0.299 249 F C 0.813 176.647 175.800 0.057 0.000 1.154 249 F CA -0.373 57.625 58.000 -0.003 0.000 1.446 249 F CB -0.299 38.704 39.000 0.006 0.000 1.112 249 F HN 0.512 nan 8.300 nan 0.000 0.584 250 F N 0.462 120.427 119.950 0.025 0.000 2.591 250 F HA 0.520 5.057 4.527 0.015 0.000 0.309 250 F C -2.685 172.973 175.800 -0.237 0.000 1.098 250 F CA -2.928 55.021 58.000 -0.084 0.000 0.937 250 F CB 1.550 40.506 39.000 -0.074 0.000 1.250 250 F HN -0.333 nan 8.300 nan 0.000 0.447 251 P HA 0.139 nan 4.420 nan 0.000 0.266 251 P C -0.285 176.822 177.300 -0.322 0.000 1.215 251 P CA 0.306 63.156 63.100 -0.416 0.000 0.763 251 P CB 0.572 31.994 31.700 -0.463 0.000 0.806 252 E N 1.947 121.968 120.200 -0.299 0.000 2.435 252 E HA -0.107 4.252 4.350 0.016 0.000 0.195 252 E C 0.700 177.324 176.600 0.041 0.000 1.029 252 E CA 0.646 56.879 56.400 -0.279 0.000 0.865 252 E CB 0.112 29.714 29.700 -0.164 0.000 0.833 252 E HN 0.633 nan 8.360 nan 0.000 0.510 253 E N 1.060 121.258 120.200 -0.002 0.000 2.489 253 E HA -0.006 4.353 4.350 0.016 0.000 0.193 253 E C 0.550 177.179 176.600 0.049 0.000 1.057 253 E CA -0.249 56.173 56.400 0.037 0.000 0.866 253 E CB 0.111 29.812 29.700 0.002 0.000 0.916 253 E HN 0.098 nan 8.360 nan 0.000 0.500 254 N N 2.197 120.937 118.700 0.067 0.000 2.483 254 N HA -0.015 4.734 4.740 0.016 0.000 0.264 254 N C -1.572 174.020 175.510 0.136 0.000 1.197 254 N CA -1.109 52.006 53.050 0.108 0.000 0.927 254 N CB 1.135 39.733 38.487 0.185 0.000 1.065 254 N HN -0.102 nan 8.380 nan 0.000 0.461 255 P HA -0.078 nan 4.420 nan 0.000 0.230 255 P C 0.400 177.606 177.300 -0.158 0.000 1.158 255 P CA 1.203 64.237 63.100 -0.110 0.000 0.769 255 P CB 0.101 31.668 31.700 -0.222 0.000 0.807 256 H N -2.496 116.663 119.070 0.149 0.000 2.551 256 H HA 0.041 4.607 4.556 0.016 0.000 0.266 256 H C 0.343 175.714 175.328 0.071 0.000 0.964 256 H CA -0.111 55.995 56.048 0.096 0.000 1.180 256 H CB -0.412 29.403 29.762 0.088 0.000 1.408 256 H HN 0.170 nan 8.280 nan 0.000 0.563 257 Y N 2.654 123.028 120.300 0.123 0.000 2.402 257 Y HA 0.092 4.652 4.550 0.015 0.000 0.333 257 Y C 1.386 177.218 175.900 -0.113 0.000 1.076 257 Y CA -0.674 57.435 58.100 0.014 0.000 1.299 257 Y CB 0.301 38.865 38.460 0.174 0.000 1.197 257 Y HN 0.084 nan 8.280 nan 0.000 0.517 258 I N 2.726 122.799 120.570 -0.829 0.000 4.018 258 I HA 0.635 4.815 4.170 0.016 0.000 0.337 258 I C 0.785 176.386 176.117 -0.859 0.000 1.327 258 I CA 0.433 61.174 61.300 -0.931 0.000 1.100 258 I CB -0.046 37.132 38.000 -1.369 0.000 1.025 258 I HN 0.785 nan 8.210 nan 0.000 0.396 259 G N 1.224 109.133 108.800 -1.486 0.000 2.396 259 G HA2 -0.126 3.844 3.960 0.016 0.000 0.254 259 G HA3 -0.126 3.844 3.960 0.016 0.000 0.254 259 G C -0.544 173.841 174.900 -0.860 0.000 1.248 259 G CA -0.359 44.032 45.100 -1.183 0.000 1.033 259 G HN 0.143 nan 8.290 nan 0.000 0.502 260 T N 0.767 114.752 114.554 -0.948 0.000 2.832 260 T HA 0.533 4.893 4.350 0.016 0.000 0.296 260 T C 0.481 175.126 174.700 -0.092 0.000 0.968 260 T CA 0.861 62.727 62.100 -0.389 0.000 1.107 260 T CB 1.326 70.052 68.868 -0.237 0.000 0.916 260 T HN 1.137 nan 8.240 nan 0.000 0.517 261 S N 3.282 118.956 115.700 -0.044 0.000 2.420 261 S HA 0.465 4.945 4.470 0.016 0.000 0.313 261 S C -1.182 173.529 174.600 0.185 0.000 1.079 261 S CA -0.653 57.590 58.200 0.072 0.000 1.104 261 S CB 0.105 63.324 63.200 0.032 0.000 0.969 261 S HN 0.769 nan 8.310 nan 0.000 0.471 262 W N 5.455 126.787 121.300 0.053 0.000 0.969 262 W HA 0.386 5.055 4.660 0.015 0.000 0.317 262 W C 0.538 177.133 176.519 0.126 0.000 0.875 262 W CA -0.334 57.055 57.345 0.074 0.000 1.411 262 W CB -0.040 29.445 29.460 0.042 0.000 1.457 262 W HN 1.124 nan 8.180 nan 0.000 0.491 263 G N 2.396 111.396 108.800 0.334 0.000 2.611 263 G HA2 -0.422 3.547 3.960 0.016 0.000 0.301 263 G HA3 -0.422 3.547 3.960 0.016 0.000 0.301 263 G C 1.062 176.050 174.900 0.148 0.000 1.233 263 G CA 1.112 46.337 45.100 0.208 0.000 0.993 263 G HN 0.583 nan 8.290 nan 0.000 0.553 264 E N 0.349 120.602 120.200 0.088 0.000 2.511 264 E HA 0.152 4.512 4.350 0.016 0.000 0.196 264 E C 1.718 178.347 176.600 0.048 0.000 1.066 264 E CA 1.320 57.756 56.400 0.060 0.000 0.871 264 E CB -0.068 29.650 29.700 0.030 0.000 0.863 264 E HN 1.312 nan 8.360 nan 0.000 0.520 265 V N -1.531 118.408 119.914 0.043 0.000 3.006 265 V HA 0.314 4.443 4.120 0.016 0.000 0.357 265 V C 0.140 176.356 176.094 0.204 0.000 1.377 265 V CA -0.808 61.522 62.300 0.050 0.000 1.198 265 V CB 0.147 31.912 31.823 -0.098 0.000 1.216 265 V HN 0.027 nan 8.190 nan 0.000 0.520 266 S N 0.451 116.294 115.700 0.238 0.000 2.600 266 S HA 0.530 5.010 4.470 0.016 0.000 0.265 266 S C -0.197 174.617 174.600 0.355 0.000 1.325 266 S CA -0.128 58.258 58.200 0.308 0.000 1.002 266 S CB 0.365 63.707 63.200 0.237 0.000 0.921 266 S HN 0.477 nan 8.310 nan 0.000 0.554 267 Y N 1.761 122.134 120.300 0.121 0.000 2.550 267 Y HA 0.172 4.731 4.550 0.016 0.000 0.343 267 Y C -1.935 174.040 175.900 0.126 0.000 1.245 267 Y CA -1.877 56.288 58.100 0.107 0.000 1.462 267 Y CB -0.789 37.715 38.460 0.073 0.000 1.340 267 Y HN 0.400 nan 8.280 nan 0.000 0.604 268 P HA 0.045 nan 4.420 nan 0.000 0.260 268 P C 0.689 178.125 177.300 0.227 0.000 1.172 268 P CA 1.980 65.166 63.100 0.144 0.000 0.760 268 P CB 0.228 31.965 31.700 0.062 0.000 0.773 269 G N 1.705 110.608 108.800 0.173 0.000 2.267 269 G HA2 -0.328 3.642 3.960 0.016 0.000 0.257 269 G HA3 -0.328 3.642 3.960 0.016 0.000 0.257 269 G C 1.032 176.159 174.900 0.379 0.000 0.998 269 G CA 0.303 45.522 45.100 0.198 0.000 0.620 269 G HN 0.408 nan 8.290 nan 0.000 0.529 270 V N 0.809 120.936 119.914 0.354 0.000 2.379 270 V HA -0.059 4.070 4.120 0.016 0.000 0.245 270 V C 2.444 178.656 176.094 0.197 0.000 1.044 270 V CA 2.777 65.223 62.300 0.244 0.000 1.036 270 V CB -0.240 31.661 31.823 0.131 0.000 0.664 270 V HN 0.624 nan 8.190 nan 0.000 0.453 271 E N 0.415 120.727 120.200 0.186 0.000 2.085 271 E HA -0.305 4.055 4.350 0.016 0.000 0.194 271 E C 2.297 178.994 176.600 0.162 0.000 0.994 271 E CA 1.750 58.245 56.400 0.157 0.000 0.801 271 E CB -0.087 29.698 29.700 0.142 0.000 0.743 271 E HN 0.531 nan 8.360 nan 0.000 0.453 272 K N -0.560 119.959 120.400 0.198 0.000 2.097 272 K HA -0.094 4.236 4.320 0.016 0.000 0.205 272 K C 2.054 178.838 176.600 0.307 0.000 1.050 272 K CA 1.678 58.108 56.287 0.239 0.000 0.938 272 K CB 0.029 32.686 32.500 0.261 0.000 0.718 272 K HN 0.099 nan 8.250 nan 0.000 0.442 273 T N 1.272 116.052 114.554 0.376 0.000 2.777 273 T HA -0.114 4.245 4.350 0.016 0.000 0.266 273 T C 1.725 176.497 174.700 0.120 0.000 1.040 273 T CA 1.126 63.444 62.100 0.363 0.000 1.141 273 T CB -0.025 69.105 68.868 0.437 0.000 0.868 273 T HN 0.147 nan 8.240 nan 0.000 0.444 274 M N 1.135 120.801 119.600 0.110 0.000 2.159 274 M HA 0.006 4.496 4.480 0.016 0.000 0.263 274 M C 2.213 178.534 176.300 0.036 0.000 1.063 274 M CA 1.352 56.690 55.300 0.063 0.000 1.110 274 M CB -0.955 31.691 32.600 0.077 0.000 1.374 274 M HN 0.205 nan 8.290 nan 0.000 0.411 275 K N 0.202 120.629 120.400 0.044 0.000 2.148 275 K HA -0.137 4.192 4.320 0.016 0.000 0.204 275 K C 1.517 178.089 176.600 -0.046 0.000 1.050 275 K CA 0.983 57.281 56.287 0.019 0.000 0.942 275 K CB 0.267 32.796 32.500 0.048 0.000 0.724 275 K HN 0.166 nan 8.250 nan 0.000 0.446 276 E N 0.368 120.487 120.200 -0.135 0.000 2.442 276 E HA 0.062 4.422 4.350 0.016 0.000 0.195 276 E C 0.166 176.606 176.600 -0.267 0.000 1.030 276 E CA 0.161 56.375 56.400 -0.309 0.000 0.869 276 E CB 0.232 29.438 29.700 -0.825 0.000 0.857 276 E HN 0.312 nan 8.360 nan 0.000 0.505 277 A N 1.816 124.541 122.820 -0.159 0.000 2.531 277 A HA -0.036 4.294 4.320 0.016 0.000 0.236 277 A C 0.716 178.264 177.584 -0.060 0.000 1.062 277 A CA 0.093 52.075 52.037 -0.091 0.000 0.760 277 A CB 0.285 19.273 19.000 -0.020 0.000 0.995 277 A HN -0.082 nan 8.150 nan 0.000 0.501 278 D N 0.577 120.946 120.400 -0.052 0.000 2.249 278 D HA 0.252 4.901 4.640 0.016 0.000 0.205 278 D C 0.616 176.916 176.300 -0.000 0.000 0.962 278 D CA 1.751 55.723 54.000 -0.047 0.000 0.860 278 D CB 0.132 40.886 40.800 -0.075 0.000 0.955 278 D HN 0.707 nan 8.370 nan 0.000 0.505 279 A N 0.268 123.119 122.820 0.052 0.000 2.455 279 A HA 0.552 4.881 4.320 0.016 0.000 0.300 279 A C -1.149 176.526 177.584 0.152 0.000 1.040 279 A CA -0.557 51.584 52.037 0.173 0.000 0.697 279 A CB 1.996 21.129 19.000 0.221 0.000 1.265 279 A HN -0.103 nan 8.150 nan 0.000 0.407 280 V N 3.439 123.457 119.914 0.174 0.000 2.407 280 V HA 0.364 4.493 4.120 0.016 0.000 0.291 280 V C -0.403 175.783 176.094 0.152 0.000 1.018 280 V CA -0.167 62.214 62.300 0.136 0.000 0.842 280 V CB 1.365 33.253 31.823 0.108 0.000 0.996 280 V HN 0.731 nan 8.190 nan 0.000 0.426 281 I N 4.699 125.366 120.570 0.161 0.000 2.287 281 I HA 0.493 4.673 4.170 0.016 0.000 0.290 281 I C 0.711 176.913 176.117 0.142 0.000 1.069 281 I CA -0.188 61.211 61.300 0.166 0.000 1.237 281 I CB 1.161 39.302 38.000 0.236 0.000 1.418 281 I HN 0.663 nan 8.210 nan 0.000 0.481 282 A N 8.325 131.222 122.820 0.128 0.000 2.269 282 A HA 0.609 4.939 4.320 0.016 0.000 0.302 282 A C -0.180 177.446 177.584 0.071 0.000 1.266 282 A CA -0.440 51.670 52.037 0.122 0.000 0.894 282 A CB 0.177 19.306 19.000 0.215 0.000 1.147 282 A HN 0.740 nan 8.150 nan 0.000 0.537 283 L N 2.799 124.055 121.223 0.056 0.000 2.270 283 L HA 0.482 4.832 4.340 0.016 0.000 0.286 283 L C 1.013 177.890 176.870 0.011 0.000 1.059 283 L CA 0.029 54.898 54.840 0.047 0.000 0.839 283 L CB 0.666 42.777 42.059 0.086 0.000 1.221 283 L HN 1.078 nan 8.230 nan 0.000 0.431 284 A N 3.493 126.304 122.820 -0.014 0.000 2.667 284 A HA -0.113 4.216 4.320 0.016 0.000 0.298 284 A C -2.443 175.079 177.584 -0.103 0.000 1.483 284 A CA -0.476 51.538 52.037 -0.038 0.000 0.738 284 A CB -1.844 17.154 19.000 -0.003 0.000 1.067 284 A HN 0.466 nan 8.150 nan 0.000 0.451 285 P HA 0.532 nan 4.420 nan 0.000 0.279 285 P C -0.325 176.695 177.300 -0.466 0.000 1.252 285 P CA -0.358 62.468 63.100 -0.457 0.000 0.811 285 P CB 1.411 32.599 31.700 -0.854 0.000 1.035 286 V N 2.880 122.492 119.914 -0.503 0.000 2.376 286 V HA 0.298 4.427 4.120 0.016 0.000 0.287 286 V C -0.624 175.252 176.094 -0.363 0.000 1.015 286 V CA -0.288 61.815 62.300 -0.328 0.000 0.834 286 V CB 0.223 31.948 31.823 -0.163 0.000 1.001 286 V HN 0.312 nan 8.190 nan 0.000 0.428 287 F N 5.682 125.666 119.950 0.057 0.000 2.334 287 F HA 0.476 5.012 4.527 0.015 0.000 0.365 287 F C 0.676 176.559 175.800 0.138 0.000 1.124 287 F CA -0.743 57.314 58.000 0.094 0.000 1.166 287 F CB 0.383 39.468 39.000 0.142 0.000 1.355 287 F HN 0.668 nan 8.300 nan 0.000 0.532 288 N N 0.389 119.193 118.700 0.172 0.000 3.002 288 N HA 0.209 4.958 4.740 0.016 0.000 0.331 288 N C 0.591 175.866 175.510 -0.392 0.000 1.384 288 N CA -0.770 52.306 53.050 0.044 0.000 0.780 288 N CB 0.251 38.757 38.487 0.031 0.000 1.492 288 N HN 0.271 nan 8.380 nan 0.000 0.608 289 D N -1.238 118.796 120.400 -0.610 0.000 2.218 289 D HA -0.203 4.447 4.640 0.016 0.000 0.204 289 D C 1.007 177.183 176.300 -0.208 0.000 0.976 289 D CA 1.419 54.834 54.000 -0.975 0.000 0.853 289 D CB -0.395 40.075 40.800 -0.549 0.000 0.939 289 D HN 0.437 nan 8.370 nan 0.000 0.481 290 Y N 1.715 121.962 120.300 -0.089 0.000 2.206 290 Y HA -0.041 4.520 4.550 0.019 0.000 0.292 290 Y C 2.941 179.130 175.900 0.482 0.000 1.123 290 Y CA 0.806 59.095 58.100 0.314 0.000 1.142 290 Y CB -0.768 37.938 38.460 0.410 0.000 1.006 290 Y HN 0.134 nan 8.280 nan 0.000 0.518 291 S N -1.301 114.604 115.700 0.342 0.000 2.489 291 S HA -0.075 4.404 4.470 0.016 0.000 0.228 291 S C 1.524 176.317 174.600 0.322 0.000 0.995 291 S CA 1.051 59.377 58.200 0.211 0.000 0.934 291 S CB -0.936 62.252 63.200 -0.021 0.000 0.771 291 S HN 0.472 nan 8.310 nan 0.000 0.522 292 T N -1.879 112.810 114.554 0.226 0.000 3.145 292 T HA 0.237 4.597 4.350 0.016 0.000 0.255 292 T C 0.329 175.120 174.700 0.151 0.000 1.039 292 T CA 0.267 62.483 62.100 0.194 0.000 0.928 292 T CB -0.782 68.163 68.868 0.127 0.000 1.029 292 T HN 0.274 nan 8.240 nan 0.000 0.554 293 T N 1.946 116.639 114.554 0.232 0.000 3.506 293 T HA -0.070 4.289 4.350 0.016 0.000 0.407 293 T C 1.230 175.855 174.700 -0.124 0.000 0.766 293 T CA 0.882 63.022 62.100 0.067 0.000 2.070 293 T CB -2.186 66.746 68.868 0.108 0.000 1.712 293 T HN 1.734 nan 8.240 nan 0.000 0.692 294 G N 0.643 109.284 108.800 -0.265 0.000 2.246 294 G HA2 -0.281 3.688 3.960 0.016 0.000 0.273 294 G HA3 -0.281 3.688 3.960 0.016 0.000 0.273 294 G C 0.461 175.305 174.900 -0.093 0.000 1.055 294 G CA 0.630 45.554 45.100 -0.295 0.000 0.851 294 G HN 1.345 nan 8.290 nan 0.000 0.500 295 W N -3.006 118.343 121.300 0.080 0.000 3.456 295 W HA -0.323 4.345 4.660 0.013 0.000 0.314 295 W C 1.857 178.403 176.519 0.045 0.000 1.192 295 W CA 1.336 58.719 57.345 0.064 0.000 0.654 295 W CB -2.277 27.208 29.460 0.042 0.000 2.251 295 W HN 1.017 nan 8.180 nan 0.000 1.360 296 T N -4.293 110.371 114.554 0.182 0.000 3.051 296 T HA 0.051 4.411 4.350 0.016 0.000 0.255 296 T C 0.518 175.292 174.700 0.124 0.000 1.085 296 T CA 1.100 63.277 62.100 0.129 0.000 1.109 296 T CB 0.272 69.184 68.868 0.074 0.000 0.921 296 T HN 0.069 nan 8.240 nan 0.000 0.488 297 D N 0.897 121.385 120.400 0.145 0.000 2.456 297 D HA 0.378 5.027 4.640 0.016 0.000 0.287 297 D C -0.909 175.469 176.300 0.130 0.000 1.186 297 D CA -0.702 53.382 54.000 0.140 0.000 0.916 297 D CB -0.324 40.582 40.800 0.178 0.000 1.029 297 D HN 0.428 nan 8.370 nan 0.000 0.498 298 I N 3.274 123.895 120.570 0.085 0.000 2.354 298 I HA 0.343 4.523 4.170 0.016 0.000 0.292 298 I C -1.605 174.463 176.117 -0.081 0.000 0.989 298 I CA -1.982 59.313 61.300 -0.008 0.000 1.188 298 I CB 1.521 39.539 38.000 0.031 0.000 1.342 298 I HN 0.175 nan 8.210 nan 0.000 0.457 299 P HA -0.024 nan 4.420 nan 0.000 0.266 299 P C -0.673 176.563 177.300 -0.107 0.000 1.195 299 P CA -0.157 62.857 63.100 -0.144 0.000 0.768 299 P CB 0.607 32.164 31.700 -0.237 0.000 0.838 300 D N 3.800 124.178 120.400 -0.036 0.000 2.412 300 D HA 0.025 4.674 4.640 0.016 0.000 0.257 300 D C -1.436 174.858 176.300 -0.010 0.000 1.217 300 D CA -1.843 52.149 54.000 -0.014 0.000 0.897 300 D CB 0.580 41.388 40.800 0.013 0.000 1.132 300 D HN 0.117 nan 8.370 nan 0.000 0.493 301 P HA -0.111 nan 4.420 nan 0.000 0.219 301 P C 0.617 177.928 177.300 0.018 0.000 1.146 301 P CA 1.273 64.361 63.100 -0.020 0.000 0.808 301 P CB 0.249 31.934 31.700 -0.025 0.000 0.779 302 K N -0.669 119.761 120.400 0.050 0.000 2.418 302 K HA 0.039 4.369 4.320 0.016 0.000 0.195 302 K C 1.585 178.319 176.600 0.222 0.000 1.035 302 K CA 0.770 57.122 56.287 0.109 0.000 1.003 302 K CB 0.023 32.572 32.500 0.082 0.000 0.793 302 K HN 0.132 nan 8.250 nan 0.000 0.494 303 K N 0.021 120.530 120.400 0.182 0.000 2.355 303 K HA 0.120 4.449 4.320 0.016 0.000 0.198 303 K C -0.292 176.462 176.600 0.257 0.000 1.039 303 K CA -0.254 56.195 56.287 0.271 0.000 1.075 303 K CB 0.449 33.033 32.500 0.139 0.000 0.870 303 K HN -0.052 nan 8.250 nan 0.000 0.540 304 L N 1.944 123.226 121.223 0.098 0.000 2.319 304 L HA 0.161 4.511 4.340 0.016 0.000 0.280 304 L C -0.709 176.101 176.870 -0.100 0.000 1.099 304 L CA -0.235 54.621 54.840 0.027 0.000 0.828 304 L CB 1.195 43.255 42.059 0.001 0.000 1.150 304 L HN -0.241 nan 8.230 nan 0.000 0.442 305 V N 6.767 126.653 119.914 -0.047 0.000 2.350 305 V HA 0.289 4.419 4.120 0.016 0.000 0.276 305 V C -0.263 175.823 176.094 -0.013 0.000 1.028 305 V CA -0.577 61.666 62.300 -0.095 0.000 0.860 305 V CB 1.262 33.073 31.823 -0.020 0.000 0.990 305 V HN 0.570 nan 8.190 nan 0.000 0.453 306 L N 5.849 127.048 121.223 -0.040 0.000 2.272 306 L HA 0.722 5.071 4.340 0.016 0.000 0.284 306 L C 0.489 177.318 176.870 -0.069 0.000 1.045 306 L CA -0.168 54.671 54.840 -0.001 0.000 0.842 306 L CB 0.835 42.908 42.059 0.023 0.000 1.224 306 L HN 0.684 nan 8.230 nan 0.000 0.430 307 A N 5.655 128.433 122.820 -0.069 0.000 2.412 307 A HA 0.545 4.874 4.320 0.016 0.000 0.334 307 A C 0.111 177.640 177.584 -0.092 0.000 1.419 307 A CA -0.665 51.274 52.037 -0.163 0.000 0.930 307 A CB -0.149 18.773 19.000 -0.130 0.000 1.149 307 A HN 0.689 nan 8.150 nan 0.000 0.515 308 E N 2.687 122.829 120.200 -0.095 0.000 2.351 308 E HA 0.144 4.504 4.350 0.016 0.000 0.255 308 E C -1.716 174.855 176.600 -0.048 0.000 1.188 308 E CA -1.714 54.651 56.400 -0.057 0.000 0.940 308 E CB 0.017 29.688 29.700 -0.048 0.000 1.094 308 E HN 0.256 nan 8.360 nan 0.000 0.474 309 P HA -0.099 nan 4.420 nan 0.000 0.216 309 P C 0.684 177.995 177.300 0.019 0.000 1.150 309 P CA 1.592 64.695 63.100 0.006 0.000 0.837 309 P CB 0.231 31.934 31.700 0.005 0.000 0.786 310 R N -1.565 118.919 120.500 -0.028 0.000 2.572 310 R HA 0.291 4.640 4.340 0.016 0.000 0.370 310 R C 0.038 176.268 176.300 -0.116 0.000 1.005 310 R CA 0.115 56.166 56.100 -0.082 0.000 1.146 310 R CB 0.651 30.908 30.300 -0.071 0.000 1.390 310 R HN 0.192 nan 8.270 nan 0.000 0.553 311 S N -1.310 114.329 115.700 -0.102 0.000 2.565 311 S HA 0.547 5.027 4.470 0.016 0.000 0.269 311 S C -0.946 173.568 174.600 -0.144 0.000 1.153 311 S CA -0.788 57.353 58.200 -0.098 0.000 0.835 311 S CB 2.316 65.478 63.200 -0.064 0.000 1.122 311 S HN -0.137 nan 8.310 nan 0.000 0.462 312 V N 1.352 121.191 119.914 -0.124 0.000 2.588 312 V HA 0.644 4.774 4.120 0.016 0.000 0.304 312 V C -0.857 175.231 176.094 -0.010 0.000 1.042 312 V CA -0.671 61.514 62.300 -0.192 0.000 0.877 312 V CB 1.795 33.335 31.823 -0.472 0.000 0.996 312 V HN 0.863 nan 8.190 nan 0.000 0.425 313 V N 5.127 125.009 119.914 -0.053 0.000 2.357 313 V HA 0.674 4.803 4.120 0.016 0.000 0.284 313 V C -0.396 175.662 176.094 -0.061 0.000 1.018 313 V CA -0.527 61.751 62.300 -0.036 0.000 0.841 313 V CB 1.645 33.432 31.823 -0.060 0.000 0.991 313 V HN 0.641 nan 8.190 nan 0.000 0.437 314 V N 5.072 124.979 119.914 -0.012 0.000 2.851 314 V HA 0.586 4.716 4.120 0.016 0.000 0.307 314 V C 0.229 176.263 176.094 -0.099 0.000 1.129 314 V CA -0.381 61.848 62.300 -0.118 0.000 0.932 314 V CB 1.880 33.680 31.823 -0.039 0.000 1.024 314 V HN 0.966 nan 8.190 nan 0.000 0.426 315 N N 4.290 122.802 118.700 -0.314 0.000 2.735 315 N HA -0.151 4.598 4.740 0.016 0.000 0.248 315 N C 0.871 176.376 175.510 -0.009 0.000 1.083 315 N CA 1.973 54.974 53.050 -0.082 0.000 0.703 315 N CB -1.173 37.385 38.487 0.120 0.000 1.005 315 N HN 2.330 nan 8.380 nan 0.000 0.550 316 G N -1.580 107.183 108.800 -0.063 0.000 2.148 316 G HA2 -0.280 3.689 3.960 0.016 0.000 0.254 316 G HA3 -0.280 3.689 3.960 0.016 0.000 0.254 316 G C 0.093 174.941 174.900 -0.086 0.000 0.981 316 G CA 0.501 45.571 45.100 -0.050 0.000 0.670 316 G HN 0.573 nan 8.290 nan 0.000 0.528 317 I N -0.403 120.098 120.570 -0.114 0.000 2.545 317 I HA 0.494 4.674 4.170 0.016 0.000 0.292 317 I C 0.342 176.219 176.117 -0.400 0.000 1.040 317 I CA -1.095 60.035 61.300 -0.282 0.000 1.068 317 I CB 2.068 39.856 38.000 -0.353 0.000 1.251 317 I HN 0.091 nan 8.210 nan 0.000 0.424 318 R N 5.248 125.463 120.500 -0.474 0.000 2.294 318 R HA 0.520 4.870 4.340 0.016 0.000 0.319 318 R C -1.740 174.234 176.300 -0.543 0.000 0.984 318 R CA -0.360 55.522 56.100 -0.363 0.000 0.861 318 R CB 0.734 30.912 30.300 -0.203 0.000 1.104 318 R HN 0.435 nan 8.270 nan 0.000 0.451 319 F N 6.980 126.873 119.950 -0.095 0.000 2.359 319 F HA 0.367 4.903 4.527 0.016 0.000 0.370 319 F C -1.798 173.937 175.800 -0.108 0.000 1.077 319 F CA -2.207 55.737 58.000 -0.093 0.000 1.136 319 F CB 1.289 40.230 39.000 -0.100 0.000 1.387 319 F HN 0.384 nan 8.300 nan 0.000 0.468 320 P HA 0.099 nan 4.420 nan 0.000 0.274 320 P C 0.087 177.370 177.300 -0.028 0.000 1.256 320 P CA -0.038 63.049 63.100 -0.022 0.000 0.795 320 P CB 1.070 32.748 31.700 -0.038 0.000 1.038 321 S N -2.885 112.760 115.700 -0.091 0.000 3.672 321 S HA -0.085 4.394 4.470 0.016 0.000 0.319 321 S C -0.013 174.485 174.600 -0.169 0.000 1.151 321 S CA 0.588 58.703 58.200 -0.143 0.000 0.911 321 S CB -2.066 61.091 63.200 -0.072 0.000 0.939 321 S HN 0.412 nan 8.310 nan 0.000 0.524 322 V N 1.897 121.705 119.914 -0.176 0.000 2.349 322 V HA 0.324 4.453 4.120 0.016 0.000 0.284 322 V C 0.211 176.215 176.094 -0.151 0.000 1.014 322 V CA -0.733 61.486 62.300 -0.134 0.000 0.826 322 V CB 1.089 32.857 31.823 -0.091 0.000 1.009 322 V HN 0.494 nan 8.190 nan 0.000 0.431 323 H N 3.432 122.503 119.070 0.001 0.000 2.803 323 H HA 0.116 4.681 4.556 0.015 0.000 0.330 323 H C 0.890 176.232 175.328 0.023 0.000 1.057 323 H CA -0.405 55.644 56.048 0.002 0.000 1.458 323 H CB 1.268 31.034 29.762 0.006 0.000 1.470 323 H HN 0.561 nan 8.280 nan 0.000 0.560 324 L N 3.796 125.101 121.223 0.137 0.000 2.043 324 L HA -0.217 4.132 4.340 0.016 0.000 0.212 324 L C 2.225 179.175 176.870 0.132 0.000 1.075 324 L CA 1.858 56.766 54.840 0.113 0.000 0.752 324 L CB -0.514 41.583 42.059 0.064 0.000 0.891 324 L HN 0.646 nan 8.230 nan 0.000 0.432 325 K N -0.920 119.538 120.400 0.096 0.000 2.057 325 K HA -0.197 4.133 4.320 0.016 0.000 0.207 325 K C 1.679 178.311 176.600 0.053 0.000 1.049 325 K CA 1.833 58.150 56.287 0.051 0.000 0.931 325 K CB -0.151 32.353 32.500 0.007 0.000 0.714 325 K HN 0.416 nan 8.250 nan 0.000 0.440 326 D N -0.400 120.054 120.400 0.089 0.000 2.149 326 D HA -0.165 4.485 4.640 0.016 0.000 0.201 326 D C 1.753 178.091 176.300 0.063 0.000 0.972 326 D CA 0.899 54.941 54.000 0.071 0.000 0.835 326 D CB -0.370 40.490 40.800 0.101 0.000 0.966 326 D HN 0.294 nan 8.370 nan 0.000 0.476 327 Y N 1.726 122.001 120.300 -0.042 0.000 2.145 327 Y HA -0.156 4.404 4.550 0.017 0.000 0.286 327 Y C 2.181 178.001 175.900 -0.133 0.000 1.145 327 Y CA 1.332 59.375 58.100 -0.096 0.000 1.148 327 Y CB -0.478 37.916 38.460 -0.110 0.000 0.981 327 Y HN -0.124 nan 8.280 nan 0.000 0.507 328 L N -0.864 120.248 121.223 -0.185 0.000 2.056 328 L HA -0.211 4.138 4.340 0.016 0.000 0.207 328 L C 2.358 179.128 176.870 -0.167 0.000 1.078 328 L CA 1.770 56.423 54.840 -0.312 0.000 0.749 328 L CB -0.867 41.130 42.059 -0.103 0.000 0.901 328 L HN 0.213 nan 8.230 nan 0.000 0.433 329 T N -0.920 113.589 114.554 -0.075 0.000 2.708 329 T HA -0.233 4.126 4.350 0.016 0.000 0.266 329 T C 2.015 176.683 174.700 -0.054 0.000 1.037 329 T CA 1.505 63.584 62.100 -0.034 0.000 1.146 329 T CB -0.178 68.681 68.868 -0.016 0.000 0.865 329 T HN 0.142 nan 8.240 nan 0.000 0.435 330 R N 0.754 121.201 120.500 -0.088 0.000 2.092 330 R HA 0.059 4.409 4.340 0.016 0.000 0.231 330 R C 2.170 178.397 176.300 -0.122 0.000 1.119 330 R CA 0.959 57.006 56.100 -0.087 0.000 0.970 330 R CB -0.916 29.336 30.300 -0.079 0.000 0.864 330 R HN 0.273 nan 8.270 nan 0.000 0.440 331 L N 0.211 121.289 121.223 -0.242 0.000 2.083 331 L HA 0.079 4.429 4.340 0.016 0.000 0.209 331 L C 2.018 178.884 176.870 -0.007 0.000 1.083 331 L CA 2.076 56.771 54.840 -0.242 0.000 0.752 331 L CB -0.863 40.823 42.059 -0.622 0.000 0.899 331 L HN 0.281 nan 8.230 nan 0.000 0.433 332 A N -1.379 121.473 122.820 0.053 0.000 2.015 332 A HA -0.218 4.112 4.320 0.016 0.000 0.219 332 A C 2.141 179.754 177.584 0.048 0.000 1.163 332 A CA 1.567 53.682 52.037 0.131 0.000 0.646 332 A CB -0.439 18.635 19.000 0.123 0.000 0.806 332 A HN 0.654 nan 8.150 nan 0.000 0.448 333 Q N -1.000 118.807 119.800 0.013 0.000 2.378 333 Q HA 0.027 4.376 4.340 0.016 0.000 0.205 333 Q C 1.506 177.507 176.000 0.003 0.000 0.954 333 Q CA 1.013 56.818 55.803 0.003 0.000 0.901 333 Q CB 0.097 28.831 28.738 -0.008 0.000 0.981 333 Q HN 0.590 nan 8.270 nan 0.000 0.483 334 K N -0.519 119.883 120.400 0.003 0.000 2.435 334 K HA 0.164 4.493 4.320 0.016 0.000 0.199 334 K C 0.177 176.787 176.600 0.017 0.000 1.153 334 K CA -0.070 56.218 56.287 0.003 0.000 0.974 334 K CB 1.134 33.627 32.500 -0.011 0.000 0.997 334 K HN -0.055 nan 8.250 nan 0.000 0.547 335 V N 2.807 122.743 119.914 0.037 0.000 2.811 335 V HA 0.032 4.162 4.120 0.016 0.000 0.302 335 V C 0.132 176.240 176.094 0.023 0.000 1.063 335 V CA -0.069 62.263 62.300 0.053 0.000 1.088 335 V CB 1.248 33.144 31.823 0.123 0.000 0.982 335 V HN 0.383 nan 8.190 nan 0.000 0.485 336 S N 5.332 121.044 115.700 0.019 0.000 2.713 336 S HA 0.551 5.031 4.470 0.016 0.000 0.283 336 S C -0.334 174.261 174.600 -0.009 0.000 1.161 336 S CA -0.783 57.420 58.200 0.006 0.000 0.999 336 S CB 1.139 64.345 63.200 0.010 0.000 1.039 336 S HN 0.690 nan 8.310 nan 0.000 0.548 337 K N 1.133 121.527 120.400 -0.011 0.000 2.451 337 K HA 0.189 4.518 4.320 0.016 0.000 0.280 337 K C -0.467 176.126 176.600 -0.012 0.000 1.020 337 K CA 0.602 56.877 56.287 -0.019 0.000 1.008 337 K CB 0.200 32.699 32.500 -0.002 0.000 0.917 337 K HN 0.522 nan 8.250 nan 0.000 0.478 338 K N 3.202 123.587 120.400 -0.025 0.000 2.752 338 K HA 0.076 4.406 4.320 0.016 0.000 0.199 338 K C -0.058 176.542 176.600 0.000 0.000 1.069 338 K CA -0.134 56.149 56.287 -0.008 0.000 1.033 338 K CB 1.166 33.663 32.500 -0.004 0.000 1.229 338 K HN 0.778 nan 8.250 nan 0.000 0.572 339 T N -2.867 111.701 114.554 0.024 0.000 3.129 339 T HA -0.001 4.358 4.350 0.016 0.000 0.251 339 T C 1.849 176.593 174.700 0.074 0.000 1.117 339 T CA 0.612 62.744 62.100 0.053 0.000 1.034 339 T CB 0.226 69.133 68.868 0.065 0.000 0.968 339 T HN 0.457 nan 8.240 nan 0.000 0.526 340 G N 1.862 110.698 108.800 0.059 0.000 2.556 340 G HA2 -0.175 3.795 3.960 0.016 0.000 0.220 340 G HA3 -0.175 3.795 3.960 0.016 0.000 0.220 340 G C 1.757 176.730 174.900 0.122 0.000 1.156 340 G CA 0.949 46.094 45.100 0.075 0.000 0.766 340 G HN 0.751 nan 8.290 nan 0.000 0.583 341 A N -0.335 122.547 122.820 0.103 0.000 1.975 341 A HA 0.318 4.648 4.320 0.016 0.000 0.215 341 A C 2.285 180.013 177.584 0.240 0.000 1.170 341 A CA 1.362 53.488 52.037 0.148 0.000 0.656 341 A CB -0.260 18.781 19.000 0.069 0.000 0.821 341 A HN 0.397 nan 8.150 nan 0.000 0.449 342 L N 0.309 121.637 121.223 0.175 0.000 2.056 342 L HA -0.133 4.217 4.340 0.016 0.000 0.207 342 L C 1.551 178.570 176.870 0.247 0.000 1.078 342 L CA 2.317 57.279 54.840 0.203 0.000 0.749 342 L CB -0.667 41.487 42.059 0.158 0.000 0.901 342 L HN 0.324 nan 8.230 nan 0.000 0.433 343 D N -0.884 119.632 120.400 0.193 0.000 2.123 343 D HA -0.263 4.386 4.640 0.016 0.000 0.196 343 D C 2.054 178.457 176.300 0.171 0.000 0.992 343 D CA 1.639 55.732 54.000 0.155 0.000 0.833 343 D CB -0.401 40.474 40.800 0.124 0.000 0.954 343 D HN 0.413 nan 8.370 nan 0.000 0.455 344 F N 0.746 120.750 119.950 0.089 0.000 2.102 344 F HA -0.213 4.324 4.527 0.016 0.000 0.298 344 F C 2.152 178.009 175.800 0.096 0.000 1.105 344 F CA 1.078 59.124 58.000 0.077 0.000 1.239 344 F CB -0.421 38.626 39.000 0.078 0.000 0.991 344 F HN -0.103 nan 8.300 nan 0.000 0.474 345 F N 1.477 121.506 119.950 0.131 0.000 2.095 345 F HA -0.203 4.333 4.527 0.016 0.000 0.298 345 F C 2.244 177.997 175.800 -0.078 0.000 1.104 345 F CA 2.153 60.166 58.000 0.021 0.000 1.232 345 F CB -0.628 38.424 39.000 0.086 0.000 0.987 345 F HN -0.124 nan 8.300 nan 0.000 0.475 346 K N 0.036 120.402 120.400 -0.057 0.000 2.097 346 K HA -0.153 4.177 4.320 0.016 0.000 0.206 346 K C 2.244 178.701 176.600 -0.239 0.000 1.049 346 K CA 1.583 57.773 56.287 -0.162 0.000 0.933 346 K CB -0.456 32.056 32.500 0.020 0.000 0.717 346 K HN 0.413 nan 8.250 nan 0.000 0.442 347 S N 0.858 116.426 115.700 -0.221 0.000 2.547 347 S HA -0.025 4.455 4.470 0.016 0.000 0.235 347 S C 1.764 176.173 174.600 -0.318 0.000 0.980 347 S CA 0.572 58.635 58.200 -0.228 0.000 0.941 347 S CB -0.337 62.750 63.200 -0.188 0.000 0.763 347 S HN 0.199 nan 8.310 nan 0.000 0.532 348 L N 0.720 121.681 121.223 -0.437 0.000 2.313 348 L HA 0.067 4.417 4.340 0.016 0.000 0.214 348 L C 0.495 177.189 176.870 -0.294 0.000 1.119 348 L CA 0.208 54.805 54.840 -0.405 0.000 0.809 348 L CB -0.796 40.986 42.059 -0.461 0.000 0.933 348 L HN 0.275 nan 8.230 nan 0.000 0.449 349 N N -0.296 118.225 118.700 -0.297 0.000 2.710 349 N HA -0.242 4.508 4.740 0.016 0.000 0.249 349 N C 0.986 176.377 175.510 -0.198 0.000 1.059 349 N CA 0.861 53.782 53.050 -0.215 0.000 0.720 349 N CB -0.904 37.496 38.487 -0.145 0.000 0.983 349 N HN 0.441 nan 8.380 nan 0.000 0.544 350 A N -0.263 122.395 122.820 -0.270 0.000 2.121 350 A HA 0.378 4.707 4.320 0.016 0.000 0.218 350 A C 1.506 179.022 177.584 -0.113 0.000 1.154 350 A CA 1.664 53.592 52.037 -0.182 0.000 0.679 350 A CB -0.292 18.591 19.000 -0.195 0.000 0.795 350 A HN 1.372 nan 8.150 nan 0.000 0.458 351 G N -1.033 107.696 108.800 -0.118 0.000 2.796 351 G HA2 -0.034 3.935 3.960 0.016 0.000 0.571 351 G HA3 -0.034 3.935 3.960 0.016 0.000 0.571 351 G C -0.428 174.468 174.900 -0.008 0.000 1.370 351 G CA 0.003 45.070 45.100 -0.055 0.000 0.856 351 G HN 0.647 nan 8.290 nan 0.000 0.538 352 E N -1.286 118.918 120.200 0.007 0.000 2.314 352 E HA 0.614 4.973 4.350 0.016 0.000 0.262 352 E C 0.592 177.176 176.600 -0.026 0.000 1.093 352 E CA -0.829 55.588 56.400 0.028 0.000 0.908 352 E CB 1.019 30.740 29.700 0.036 0.000 1.091 352 E HN 1.049 nan 8.360 nan 0.000 0.425 353 L N 2.639 123.809 121.223 -0.088 0.000 2.559 353 L HA 0.051 4.400 4.340 0.016 0.000 0.274 353 L C 0.051 176.857 176.870 -0.107 0.000 1.205 353 L CA 0.818 55.541 54.840 -0.195 0.000 0.907 353 L CB 0.086 41.867 42.059 -0.462 0.000 1.153 353 L HN 0.426 nan 8.230 nan 0.000 0.490 354 K N 5.749 126.099 120.400 -0.083 0.000 2.378 354 K HA 0.152 4.481 4.320 0.016 0.000 0.288 354 K C -0.677 175.895 176.600 -0.046 0.000 1.057 354 K CA -0.023 56.234 56.287 -0.050 0.000 0.971 354 K CB 0.254 32.730 32.500 -0.039 0.000 0.975 354 K HN 0.618 nan 8.250 nan 0.000 0.475 355 K N 2.224 122.606 120.400 -0.031 0.000 2.259 355 K HA 0.371 4.700 4.320 0.016 0.000 0.249 355 K C -0.717 175.876 176.600 -0.012 0.000 0.942 355 K CA -0.898 55.377 56.287 -0.021 0.000 0.816 355 K CB 1.912 34.404 32.500 -0.014 0.000 1.155 355 K HN 0.645 nan 8.250 nan 0.000 0.428 356 A N 1.631 124.446 122.820 -0.009 0.000 2.498 356 A HA 0.422 4.751 4.320 0.016 0.000 0.239 356 A C 0.081 177.663 177.584 -0.004 0.000 1.068 356 A CA -0.076 51.957 52.037 -0.007 0.000 0.766 356 A CB 0.134 19.131 19.000 -0.005 0.000 1.003 356 A HN 0.783 nan 8.150 nan 0.000 0.497 357 A N 3.216 126.034 122.820 -0.003 0.000 2.313 357 A HA 0.612 4.941 4.320 0.016 0.000 0.261 357 A C -2.181 175.404 177.584 0.001 0.000 1.090 357 A CA -1.383 50.654 52.037 -0.000 0.000 0.807 357 A CB -0.683 18.316 19.000 -0.001 0.000 1.055 357 A HN 0.682 nan 8.150 nan 0.000 0.492 358 P HA 0.216 nan 4.420 nan 0.000 0.260 358 P C -0.128 177.176 177.300 0.005 0.000 1.172 358 P CA 0.679 63.782 63.100 0.006 0.000 0.760 358 P CB 0.336 32.040 31.700 0.007 0.000 0.773 359 A N 3.080 125.904 122.820 0.007 0.000 2.313 359 A HA 0.223 4.553 4.320 0.016 0.000 0.261 359 A C 0.291 177.880 177.584 0.008 0.000 1.090 359 A CA -0.376 51.665 52.037 0.007 0.000 0.807 359 A CB 0.000 19.005 19.000 0.008 0.000 1.055 359 A HN 0.522 nan 8.150 nan 0.000 0.492 360 D N 0.626 121.030 120.400 0.007 0.000 2.401 360 D HA 0.209 4.858 4.640 0.016 0.000 0.254 360 D C -1.649 174.657 176.300 0.010 0.000 1.192 360 D CA -1.355 52.649 54.000 0.007 0.000 0.885 360 D CB 0.772 41.574 40.800 0.005 0.000 1.147 360 D HN 0.093 nan 8.370 nan 0.000 0.478 361 P HA -0.138 nan 4.420 nan 0.000 0.219 361 P C 0.886 178.195 177.300 0.015 0.000 1.146 361 P CA 1.161 64.270 63.100 0.016 0.000 0.808 361 P CB 0.092 31.801 31.700 0.015 0.000 0.779 362 S N -2.350 113.356 115.700 0.010 0.000 2.535 362 S HA 0.371 4.851 4.470 0.016 0.000 0.214 362 S C 1.009 175.612 174.600 0.005 0.000 0.980 362 S CA -0.248 57.956 58.200 0.006 0.000 0.907 362 S CB -0.558 62.644 63.200 0.003 0.000 0.790 362 S HN 0.091 nan 8.310 nan 0.000 0.510 363 A N 2.747 125.571 122.820 0.007 0.000 2.351 363 A HA 0.603 4.933 4.320 0.016 0.000 0.257 363 A C -2.541 175.049 177.584 0.010 0.000 1.087 363 A CA -1.589 50.451 52.037 0.006 0.000 0.798 363 A CB -0.518 18.485 19.000 0.005 0.000 1.033 363 A HN 0.269 nan 8.150 nan 0.000 0.488 364 P HA 0.086 nan 4.420 nan 0.000 0.262 364 P C -0.276 177.039 177.300 0.025 0.000 1.182 364 P CA -0.078 63.031 63.100 0.015 0.000 0.761 364 P CB 0.190 31.895 31.700 0.009 0.000 0.795 365 L N 5.787 127.036 121.223 0.043 0.000 2.490 365 L HA 0.154 4.503 4.340 0.016 0.000 0.274 365 L C -0.081 176.813 176.870 0.040 0.000 1.201 365 L CA 0.377 55.248 54.840 0.051 0.000 0.869 365 L CB 0.122 42.231 42.059 0.082 0.000 1.123 365 L HN 0.230 nan 8.230 nan 0.000 0.484 366 V N 2.085 122.015 119.914 0.027 0.000 3.046 366 V HA 0.533 4.663 4.120 0.016 0.000 0.316 366 V C 0.807 176.909 176.094 0.014 0.000 1.104 366 V CA -0.496 61.813 62.300 0.015 0.000 1.006 366 V CB 1.521 33.346 31.823 0.004 0.000 1.058 366 V HN 0.808 nan 8.190 nan 0.000 0.440 367 N N 2.075 120.781 118.700 0.010 0.000 2.061 367 N HA -0.172 4.578 4.740 0.016 0.000 0.193 367 N C 1.686 177.200 175.510 0.007 0.000 1.030 367 N CA 2.633 55.691 53.050 0.013 0.000 0.856 367 N CB -0.296 38.203 38.487 0.019 0.000 1.023 367 N HN 1.013 nan 8.380 nan 0.000 0.424 368 A N -0.162 122.661 122.820 0.005 0.000 1.978 368 A HA -0.163 4.167 4.320 0.016 0.000 0.220 368 A C 2.143 179.725 177.584 -0.004 0.000 1.170 368 A CA 1.916 53.955 52.037 0.002 0.000 0.636 368 A CB -0.757 18.243 19.000 0.000 0.000 0.810 368 A HN 0.532 nan 8.150 nan 0.000 0.448 369 E N 0.339 120.538 120.200 -0.001 0.000 2.107 369 E HA -0.079 4.280 4.350 0.016 0.000 0.191 369 E C 1.688 178.279 176.600 -0.014 0.000 0.982 369 E CA 1.175 57.574 56.400 -0.002 0.000 0.809 369 E CB -0.395 29.310 29.700 0.010 0.000 0.756 369 E HN 0.636 nan 8.360 nan 0.000 0.459 370 I N 0.569 121.128 120.570 -0.018 0.000 2.179 370 I HA -0.280 3.899 4.170 0.016 0.000 0.242 370 I C 2.410 178.453 176.117 -0.123 0.000 1.088 370 I CA 1.178 62.443 61.300 -0.057 0.000 1.357 370 I CB -0.517 37.461 38.000 -0.037 0.000 1.051 370 I HN 0.201 nan 8.210 nan 0.000 0.409 371 A N 0.729 123.503 122.820 -0.076 0.000 1.902 371 A HA -0.245 4.085 4.320 0.016 0.000 0.217 371 A C 2.466 180.008 177.584 -0.069 0.000 1.181 371 A CA 1.712 53.705 52.037 -0.073 0.000 0.623 371 A CB -0.675 18.316 19.000 -0.014 0.000 0.818 371 A HN 0.354 nan 8.150 nan 0.000 0.443 372 R N -0.433 120.041 120.500 -0.044 0.000 2.083 372 R HA -0.191 4.159 4.340 0.016 0.000 0.237 372 R C 2.344 178.619 176.300 -0.041 0.000 1.137 372 R CA 1.980 58.063 56.100 -0.029 0.000 0.951 372 R CB -0.310 29.982 30.300 -0.014 0.000 0.851 372 R HN 0.702 nan 8.270 nan 0.000 0.434 373 Q N -0.391 119.374 119.800 -0.058 0.000 2.123 373 Q HA -0.085 4.265 4.340 0.016 0.000 0.199 373 Q C 2.200 178.139 176.000 -0.101 0.000 0.966 373 Q CA 1.421 57.194 55.803 -0.051 0.000 0.845 373 Q CB 0.151 28.877 28.738 -0.020 0.000 0.907 373 Q HN 0.223 nan 8.270 nan 0.000 0.439 374 V N 1.395 121.167 119.914 -0.237 0.000 2.343 374 V HA -0.269 3.860 4.120 0.016 0.000 0.247 374 V C 2.184 178.201 176.094 -0.129 0.000 1.051 374 V CA 2.069 64.178 62.300 -0.318 0.000 1.036 374 V CB -0.551 30.946 31.823 -0.544 0.000 0.654 374 V HN 0.417 nan 8.190 nan 0.000 0.451 375 E N 0.396 120.543 120.200 -0.088 0.000 2.118 375 E HA -0.229 4.131 4.350 0.016 0.000 0.195 375 E C 2.103 178.696 176.600 -0.011 0.000 0.992 375 E CA 1.310 57.691 56.400 -0.032 0.000 0.804 375 E CB -0.215 29.479 29.700 -0.011 0.000 0.741 375 E HN 0.591 nan 8.360 nan 0.000 0.458 376 A N 0.438 123.251 122.820 -0.012 0.000 2.168 376 A HA -0.032 4.298 4.320 0.016 0.000 0.215 376 A C 1.963 179.558 177.584 0.019 0.000 1.152 376 A CA 0.480 52.521 52.037 0.007 0.000 0.716 376 A CB -0.250 18.756 19.000 0.010 0.000 0.794 376 A HN 0.304 nan 8.150 nan 0.000 0.465 377 L N -0.317 120.918 121.223 0.020 0.000 2.492 377 L HA 0.125 4.474 4.340 0.016 0.000 0.223 377 L C 0.156 177.049 176.870 0.037 0.000 1.132 377 L CA -0.151 54.716 54.840 0.045 0.000 0.850 377 L CB -0.242 41.866 42.059 0.081 0.000 0.966 377 L HN 0.296 nan 8.230 nan 0.000 0.454 378 L N 1.059 122.295 121.223 0.022 0.000 2.477 378 L HA 0.073 4.422 4.340 0.016 0.000 0.272 378 L C 0.643 177.525 176.870 0.020 0.000 1.157 378 L CA 0.181 55.032 54.840 0.019 0.000 0.889 378 L CB 0.215 42.281 42.059 0.011 0.000 1.158 378 L HN 0.196 nan 8.230 nan 0.000 0.473 379 T N -0.166 114.400 114.554 0.020 0.000 2.888 379 T HA 0.441 4.801 4.350 0.016 0.000 0.288 379 T C -2.236 172.470 174.700 0.011 0.000 1.063 379 T CA -1.981 60.129 62.100 0.017 0.000 1.010 379 T CB 2.039 70.920 68.868 0.021 0.000 1.214 379 T HN 0.188 nan 8.240 nan 0.000 0.533 380 P HA 0.049 nan 4.420 nan 0.000 0.228 380 P C 0.692 177.995 177.300 0.005 0.000 1.151 380 P CA 0.779 63.879 63.100 -0.001 0.000 0.770 380 P CB -0.046 31.651 31.700 -0.006 0.000 0.786 381 N N -1.664 117.044 118.700 0.013 0.000 2.214 381 N HA 0.034 4.783 4.740 0.016 0.000 0.214 381 N C -0.437 175.094 175.510 0.035 0.000 1.132 381 N CA 0.158 53.221 53.050 0.021 0.000 0.856 381 N CB 0.029 38.528 38.487 0.020 0.000 1.020 381 N HN -0.122 nan 8.380 nan 0.000 0.509 382 T N -0.485 114.088 114.554 0.030 0.000 2.902 382 T HA 0.456 4.816 4.350 0.016 0.000 0.283 382 T C -0.526 174.189 174.700 0.024 0.000 1.009 382 T CA -0.253 61.867 62.100 0.034 0.000 1.051 382 T CB 1.688 70.572 68.868 0.027 0.000 0.999 382 T HN -0.099 nan 8.240 nan 0.000 0.474 383 T N 2.088 116.649 114.554 0.012 0.000 2.879 383 T HA 0.477 4.837 4.350 0.016 0.000 0.290 383 T C -0.561 174.075 174.700 -0.106 0.000 0.993 383 T CA -0.498 61.560 62.100 -0.071 0.000 0.975 383 T CB 1.218 69.998 68.868 -0.146 0.000 0.981 383 T HN 0.326 nan 8.240 nan 0.000 0.439 384 V N 5.163 125.005 119.914 -0.119 0.000 2.370 384 V HA 0.408 4.538 4.120 0.016 0.000 0.279 384 V C -0.075 175.935 176.094 -0.140 0.000 1.029 384 V CA -0.892 61.352 62.300 -0.093 0.000 0.870 384 V CB 1.065 32.848 31.823 -0.067 0.000 0.984 384 V HN 0.724 nan 8.190 nan 0.000 0.451 385 I N 4.667 125.174 120.570 -0.104 0.000 2.301 385 I HA 0.520 4.699 4.170 0.016 0.000 0.292 385 I C 0.533 176.700 176.117 0.083 0.000 1.046 385 I CA -0.097 61.167 61.300 -0.059 0.000 1.282 385 I CB 1.051 38.951 38.000 -0.166 0.000 1.409 385 I HN 0.652 nan 8.210 nan 0.000 0.484 386 A N 5.721 128.665 122.820 0.207 0.000 2.287 386 A HA 0.519 4.849 4.320 0.016 0.000 0.317 386 A C 0.022 177.957 177.584 0.585 0.000 1.220 386 A CA -0.571 51.667 52.037 0.336 0.000 0.835 386 A CB 0.812 20.006 19.000 0.323 0.000 1.180 386 A HN 0.669 nan 8.150 nan 0.000 0.500 387 E N 1.747 122.196 120.200 0.415 0.000 2.373 387 E HA 0.337 4.696 4.350 0.016 0.000 0.263 387 E C 0.123 176.772 176.600 0.082 0.000 1.073 387 E CA 0.148 56.764 56.400 0.360 0.000 0.894 387 E CB 0.494 30.316 29.700 0.202 0.000 1.008 387 E HN 0.575 nan 8.360 nan 0.000 0.420 388 T N 2.756 117.214 114.554 -0.160 0.000 2.905 388 T HA 0.442 4.802 4.350 0.016 0.000 0.299 388 T C 0.361 174.660 174.700 -0.668 0.000 1.024 388 T CA 0.895 62.397 62.100 -0.997 0.000 1.151 388 T CB -0.095 68.416 68.868 -0.594 0.000 0.987 388 T HN 0.758 nan 8.240 nan 0.000 0.535 389 G N 3.095 111.413 108.800 -0.803 0.000 2.265 389 G HA2 -0.094 3.876 3.960 0.016 0.000 0.246 389 G HA3 -0.094 3.876 3.960 0.016 0.000 0.246 389 G C 0.288 175.189 174.900 0.001 0.000 1.299 389 G CA 0.013 44.956 45.100 -0.262 0.000 1.117 389 G HN 0.534 nan 8.290 nan 0.000 0.485 390 D N -0.012 120.452 120.400 0.106 0.000 2.219 390 D HA 0.032 4.682 4.640 0.016 0.000 0.205 390 D C 2.541 179.007 176.300 0.277 0.000 0.970 390 D CA 1.861 56.005 54.000 0.240 0.000 0.851 390 D CB -0.086 40.799 40.800 0.140 0.000 0.943 390 D HN 0.272 nan 8.370 nan 0.000 0.488 391 S N -0.365 115.445 115.700 0.183 0.000 2.383 391 S HA -0.172 4.308 4.470 0.016 0.000 0.229 391 S C 1.504 176.319 174.600 0.357 0.000 1.030 391 S CA 0.728 59.058 58.200 0.218 0.000 1.002 391 S CB -0.323 62.985 63.200 0.181 0.000 0.829 391 S HN 0.452 nan 8.310 nan 0.000 0.467 392 W N 1.173 122.536 121.300 0.106 0.000 2.318 392 W HA -0.094 4.575 4.660 0.014 0.000 0.313 392 W C 1.864 178.306 176.519 -0.128 0.000 1.221 392 W CA 0.582 57.880 57.345 -0.079 0.000 1.266 392 W CB -1.351 27.796 29.460 -0.523 0.000 1.150 392 W HN 0.346 nan 8.180 nan 0.000 0.496 393 F N -0.103 120.027 119.950 0.300 0.000 2.335 393 F HA -0.099 4.437 4.527 0.016 0.000 0.296 393 F C 2.153 178.053 175.800 0.168 0.000 1.091 393 F CA 0.966 59.083 58.000 0.194 0.000 1.399 393 F CB -1.019 38.029 39.000 0.081 0.000 1.067 393 F HN -0.203 nan 8.300 nan 0.000 0.520 394 N N 0.773 119.657 118.700 0.308 0.000 2.084 394 N HA -0.153 4.596 4.740 0.016 0.000 0.190 394 N C 2.076 177.684 175.510 0.164 0.000 1.030 394 N CA 1.514 54.677 53.050 0.188 0.000 0.849 394 N CB -0.721 37.842 38.487 0.127 0.000 1.012 394 N HN 0.270 nan 8.380 nan 0.000 0.423 395 A N 0.620 123.552 122.820 0.187 0.000 1.930 395 A HA -0.154 4.176 4.320 0.016 0.000 0.217 395 A C 2.200 179.887 177.584 0.171 0.000 1.175 395 A CA 1.387 53.507 52.037 0.139 0.000 0.627 395 A CB -0.551 18.518 19.000 0.116 0.000 0.815 395 A HN 0.237 nan 8.150 nan 0.000 0.443 396 Q N 0.043 119.992 119.800 0.248 0.000 2.170 396 Q HA -0.069 4.280 4.340 0.016 0.000 0.203 396 Q C 1.924 178.118 176.000 0.323 0.000 0.976 396 Q CA 1.593 57.549 55.803 0.256 0.000 0.858 396 Q CB -0.250 28.635 28.738 0.245 0.000 0.907 396 Q HN 0.662 nan 8.270 nan 0.000 0.433 397 R N -1.057 119.607 120.500 0.274 0.000 2.299 397 R HA 0.167 4.517 4.340 0.016 0.000 0.197 397 R C 0.063 176.481 176.300 0.196 0.000 0.971 397 R CA -0.003 56.236 56.100 0.232 0.000 1.030 397 R CB 0.071 30.451 30.300 0.132 0.000 0.932 397 R HN 0.279 nan 8.270 nan 0.000 0.477 398 M N 1.218 120.923 119.600 0.175 0.000 2.211 398 M HA 0.108 4.597 4.480 0.016 0.000 0.356 398 M C 0.081 176.474 176.300 0.155 0.000 1.216 398 M CA -0.351 55.022 55.300 0.123 0.000 1.134 398 M CB 1.041 33.681 32.600 0.067 0.000 1.564 398 M HN -0.349 nan 8.290 nan 0.000 0.463 399 K N 4.047 124.527 120.400 0.132 0.000 2.316 399 K HA 0.380 4.710 4.320 0.016 0.000 0.289 399 K C -1.413 175.236 176.600 0.081 0.000 1.070 399 K CA 0.113 56.483 56.287 0.138 0.000 0.928 399 K CB 0.140 32.716 32.500 0.127 0.000 1.039 399 K HN 0.596 nan 8.250 nan 0.000 0.480 400 L N 7.643 128.903 121.223 0.062 0.000 2.276 400 L HA 0.426 4.776 4.340 0.016 0.000 0.286 400 L C -1.961 174.913 176.870 0.007 0.000 1.061 400 L CA -2.381 52.470 54.840 0.018 0.000 0.807 400 L CB 1.250 43.302 42.059 -0.012 0.000 1.177 400 L HN 0.558 nan 8.230 nan 0.000 0.429 401 P HA 0.069 nan 4.420 nan 0.000 0.271 401 P C -0.828 176.458 177.300 -0.023 0.000 1.216 401 P CA -0.442 62.657 63.100 -0.003 0.000 0.776 401 P CB 0.351 32.052 31.700 0.003 0.000 0.881 402 N N 1.775 120.454 118.700 -0.036 0.000 2.359 402 N HA 0.211 4.960 4.740 0.016 0.000 0.261 402 N C 1.604 177.087 175.510 -0.045 0.000 1.267 402 N CA 1.804 54.818 53.050 -0.059 0.000 0.864 402 N CB -0.270 38.175 38.487 -0.070 0.000 1.063 402 N HN 0.754 nan 8.380 nan 0.000 0.474 403 G N 0.187 108.959 108.800 -0.048 0.000 2.284 403 G HA2 -0.194 3.776 3.960 0.016 0.000 0.216 403 G HA3 -0.194 3.776 3.960 0.016 0.000 0.216 403 G C 0.221 175.112 174.900 -0.014 0.000 1.009 403 G CA 0.043 45.125 45.100 -0.031 0.000 0.625 403 G HN 0.897 nan 8.290 nan 0.000 0.501 404 A N 1.325 124.136 122.820 -0.015 0.000 2.477 404 A HA 0.658 4.988 4.320 0.016 0.000 0.246 404 A C 0.609 178.186 177.584 -0.012 0.000 1.078 404 A CA 0.438 52.470 52.037 -0.009 0.000 0.770 404 A CB 0.279 19.273 19.000 -0.010 0.000 1.011 404 A HN 0.436 nan 8.150 nan 0.000 0.494 405 R N 1.128 121.622 120.500 -0.011 0.000 2.711 405 R HA 0.646 4.995 4.340 0.016 0.000 0.284 405 R C -1.366 174.883 176.300 -0.085 0.000 0.968 405 R CA -0.738 55.352 56.100 -0.016 0.000 0.924 405 R CB 1.654 31.972 30.300 0.031 0.000 1.162 405 R HN 0.424 nan 8.270 nan 0.000 0.465 406 V N 2.235 122.072 119.914 -0.129 0.000 2.540 406 V HA 0.317 4.446 4.120 0.016 0.000 0.302 406 V C -0.339 175.579 176.094 -0.293 0.000 1.035 406 V CA -0.813 61.322 62.300 -0.276 0.000 0.873 406 V CB 2.263 33.831 31.823 -0.424 0.000 0.992 406 V HN 0.534 nan 8.190 nan 0.000 0.428 407 E N 3.413 123.451 120.200 -0.270 0.000 2.145 407 E HA 0.489 4.849 4.350 0.016 0.000 0.270 407 E C -1.589 175.001 176.600 -0.016 0.000 0.906 407 E CA -0.409 55.948 56.400 -0.071 0.000 0.761 407 E CB 2.056 31.788 29.700 0.053 0.000 1.116 407 E HN 0.516 nan 8.360 nan 0.000 0.408 408 Y N 0.418 120.714 120.300 -0.006 0.000 2.509 408 Y HA 0.241 4.800 4.550 0.015 0.000 0.341 408 Y C 0.730 176.388 175.900 -0.404 0.000 1.038 408 Y CA -0.980 57.007 58.100 -0.190 0.000 1.089 408 Y CB 1.649 39.852 38.460 -0.429 0.000 1.241 408 Y HN 0.398 nan 8.280 nan 0.000 0.468 409 E N 3.256 123.198 120.200 -0.431 0.000 3.312 409 E HA 0.211 4.570 4.350 0.016 0.000 0.215 409 E C 0.073 176.581 176.600 -0.152 0.000 1.160 409 E CA 0.056 56.094 56.400 -0.603 0.000 1.267 409 E CB 0.131 28.939 29.700 -1.486 0.000 1.361 409 E HN 0.822 nan 8.360 nan 0.000 0.433 410 M N 0.639 120.103 119.600 -0.226 0.000 2.558 410 M HA -0.056 4.433 4.480 0.016 0.000 0.255 410 M C 1.866 178.125 176.300 -0.069 0.000 1.113 410 M CA 0.706 55.833 55.300 -0.289 0.000 1.097 410 M CB 0.348 32.455 32.600 -0.823 0.000 1.426 410 M HN 0.185 nan 8.290 nan 0.000 0.488 411 Q N 0.039 119.821 119.800 -0.029 0.000 2.134 411 Q HA -0.107 4.243 4.340 0.016 0.000 0.195 411 Q C 1.774 177.874 176.000 0.166 0.000 0.958 411 Q CA 1.555 57.385 55.803 0.044 0.000 0.840 411 Q CB -0.289 28.486 28.738 0.061 0.000 0.918 411 Q HN 0.625 nan 8.270 nan 0.000 0.467 412 W N 0.467 121.754 121.300 -0.023 0.000 2.441 412 W HA 0.083 4.748 4.660 0.009 0.000 0.302 412 W C 0.562 177.119 176.519 0.062 0.000 1.191 412 W CA 1.415 58.782 57.345 0.036 0.000 1.327 412 W CB -0.017 29.486 29.460 0.071 0.000 1.128 412 W HN 0.383 nan 8.180 nan 0.000 0.522 413 G N 1.453 110.358 108.800 0.175 0.000 2.295 413 G HA2 -0.327 3.642 3.960 0.016 0.000 0.287 413 G HA3 -0.327 3.642 3.960 0.016 0.000 0.287 413 G C -0.186 174.735 174.900 0.034 0.000 1.055 413 G CA 0.405 45.590 45.100 0.142 0.000 0.922 413 G HN 0.551 nan 8.290 nan 0.000 0.503 414 H N 0.674 119.751 119.070 0.012 0.000 2.864 414 H HA 0.385 4.949 4.556 0.014 0.000 0.281 414 H C 1.375 176.751 175.328 0.079 0.000 1.093 414 H CA -0.142 55.939 56.048 0.055 0.000 1.453 414 H CB 0.265 30.223 29.762 0.327 0.000 1.462 414 H HN 0.640 nan 8.280 nan 0.000 0.480 415 I N 1.436 122.065 120.570 0.100 0.000 2.692 415 I HA 0.267 4.447 4.170 0.016 0.000 0.284 415 I C 1.137 177.427 176.117 0.289 0.000 1.159 415 I CA 0.803 62.187 61.300 0.139 0.000 1.423 415 I CB 0.717 38.724 38.000 0.012 0.000 1.380 415 I HN 0.755 nan 8.210 nan 0.000 0.580 416 G N 4.834 113.757 108.800 0.206 0.000 2.213 416 G HA2 -0.342 3.628 3.960 0.016 0.000 0.236 416 G HA3 -0.342 3.628 3.960 0.016 0.000 0.236 416 G C 0.393 175.314 174.900 0.036 0.000 0.991 416 G CA 0.487 45.675 45.100 0.147 0.000 0.629 416 G HN 1.095 nan 8.290 nan 0.000 0.517 417 W N 2.755 123.907 121.300 -0.248 0.000 2.321 417 W HA -0.143 4.527 4.660 0.015 0.000 0.306 417 W C 2.547 178.900 176.519 -0.277 0.000 1.217 417 W CA 3.452 60.393 57.345 -0.673 0.000 1.257 417 W CB -0.493 28.597 29.460 -0.616 0.000 1.145 417 W HN 0.702 nan 8.180 nan 0.000 0.509 418 S N -0.125 115.409 115.700 -0.277 0.000 2.399 418 S HA -0.212 4.268 4.470 0.016 0.000 0.231 418 S C 1.675 176.015 174.600 -0.434 0.000 1.022 418 S CA 1.659 59.489 58.200 -0.617 0.000 0.983 418 S CB -1.041 62.123 63.200 -0.060 0.000 0.803 418 S HN 0.195 nan 8.310 nan 0.000 0.480 419 V N 3.180 122.965 119.914 -0.215 0.000 2.255 419 V HA -0.005 4.125 4.120 0.016 0.000 0.243 419 V C -0.411 175.627 176.094 -0.092 0.000 1.038 419 V CA 1.655 63.896 62.300 -0.097 0.000 1.008 419 V CB -1.681 30.096 31.823 -0.076 0.000 0.645 419 V HN 0.381 nan 8.190 nan 0.000 0.449 420 P HA -0.075 nan 4.420 nan 0.000 0.219 420 P C 1.601 178.876 177.300 -0.040 0.000 1.150 420 P CA 1.813 64.921 63.100 0.013 0.000 0.814 420 P CB -0.132 31.617 31.700 0.082 0.000 0.787 421 A N 0.340 122.958 122.820 -0.337 0.000 1.902 421 A HA -0.101 4.229 4.320 0.016 0.000 0.217 421 A C 2.350 179.797 177.584 -0.228 0.000 1.181 421 A CA 2.126 53.899 52.037 -0.440 0.000 0.623 421 A CB -1.590 16.634 19.000 -1.294 0.000 0.818 421 A HN 0.201 nan 8.150 nan 0.000 0.443 422 A N -1.067 121.616 122.820 -0.228 0.000 1.930 422 A HA 0.004 4.333 4.320 0.016 0.000 0.217 422 A C 2.012 179.653 177.584 0.095 0.000 1.175 422 A CA 1.575 53.576 52.037 -0.060 0.000 0.627 422 A CB -0.719 18.248 19.000 -0.055 0.000 0.815 422 A HN 0.716 nan 8.150 nan 0.000 0.443 423 F N 1.336 121.268 119.950 -0.030 0.000 2.046 423 F HA -0.093 4.443 4.527 0.015 0.000 0.297 423 F C 2.297 178.142 175.800 0.075 0.000 1.123 423 F CA 1.803 59.816 58.000 0.022 0.000 1.199 423 F CB -0.947 38.053 39.000 0.001 0.000 0.972 423 F HN 0.176 nan 8.300 nan 0.000 0.474 424 G N -1.441 107.252 108.800 -0.179 0.000 2.418 424 G HA2 -0.356 3.614 3.960 0.016 0.000 0.217 424 G HA3 -0.356 3.614 3.960 0.016 0.000 0.217 424 G C 1.647 176.546 174.900 -0.001 0.000 1.158 424 G CA 0.949 45.914 45.100 -0.224 0.000 0.771 424 G HN 0.530 nan 8.290 nan 0.000 0.545 425 Y N 1.868 122.115 120.300 -0.089 0.000 2.128 425 Y HA -0.050 4.509 4.550 0.015 0.000 0.284 425 Y C 2.967 178.808 175.900 -0.098 0.000 1.154 425 Y CA 1.634 59.686 58.100 -0.080 0.000 1.149 425 Y CB -0.255 38.166 38.460 -0.066 0.000 0.976 425 Y HN 0.249 nan 8.280 nan 0.000 0.505 426 A N -1.033 121.840 122.820 0.088 0.000 1.969 426 A HA -0.128 4.201 4.320 0.016 0.000 0.218 426 A C 2.288 179.803 177.584 -0.115 0.000 1.169 426 A CA 1.729 53.779 52.037 0.022 0.000 0.635 426 A CB -1.208 17.834 19.000 0.070 0.000 0.810 426 A HN 0.332 nan 8.150 nan 0.000 0.445 427 V N -0.352 119.433 119.914 -0.214 0.000 2.407 427 V HA -0.157 3.972 4.120 0.016 0.000 0.248 427 V C 2.639 178.570 176.094 -0.273 0.000 1.055 427 V CA 1.969 64.088 62.300 -0.302 0.000 1.049 427 V CB -1.058 30.506 31.823 -0.432 0.000 0.662 427 V HN 0.615 nan 8.190 nan 0.000 0.455 428 G N -1.053 107.596 108.800 -0.251 0.000 2.603 428 G HA2 0.266 4.236 3.960 0.016 0.000 0.214 428 G HA3 0.266 4.236 3.960 0.016 0.000 0.214 428 G C 0.714 175.367 174.900 -0.411 0.000 1.140 428 G CA 0.729 45.538 45.100 -0.484 0.000 0.800 428 G HN 0.643 nan 8.290 nan 0.000 0.533 429 A N 0.490 123.084 122.820 -0.377 0.000 3.317 429 A HA 0.651 4.980 4.320 0.016 0.000 0.307 429 A C -1.700 175.814 177.584 -0.116 0.000 1.003 429 A CA -0.824 51.045 52.037 -0.280 0.000 0.882 429 A CB 1.065 19.805 19.000 -0.433 0.000 1.136 429 A HN 0.040 nan 8.150 nan 0.000 0.488 430 P HA -0.132 nan 4.420 nan 0.000 0.226 430 P C 1.286 178.583 177.300 -0.004 0.000 1.153 430 P CA 1.031 64.115 63.100 -0.025 0.000 0.777 430 P CB 0.288 31.977 31.700 -0.018 0.000 0.794 431 E N 0.382 120.573 120.200 -0.015 0.000 2.427 431 E HA -0.074 4.285 4.350 0.016 0.000 0.196 431 E C 0.481 177.088 176.600 0.013 0.000 1.028 431 E CA 0.492 56.890 56.400 -0.003 0.000 0.864 431 E CB -0.194 29.497 29.700 -0.014 0.000 0.813 431 E HN 0.270 nan 8.360 nan 0.000 0.514 432 R N 0.815 121.331 120.500 0.027 0.000 2.596 432 R HA 0.375 4.724 4.340 0.016 0.000 0.267 432 R C 0.249 176.589 176.300 0.065 0.000 1.026 432 R CA -0.807 55.326 56.100 0.056 0.000 1.087 432 R CB 1.214 31.576 30.300 0.103 0.000 1.132 432 R HN -0.040 nan 8.270 nan 0.000 0.531 433 R N 2.140 122.678 120.500 0.063 0.000 2.248 433 R HA 0.076 4.426 4.340 0.016 0.000 0.337 433 R C -0.959 175.386 176.300 0.076 0.000 1.085 433 R CA -0.183 55.956 56.100 0.065 0.000 0.934 433 R CB 0.187 30.521 30.300 0.058 0.000 1.034 433 R HN 0.482 nan 8.270 nan 0.000 0.465 434 N N 6.079 124.828 118.700 0.082 0.000 2.437 434 N HA 0.273 5.023 4.740 0.016 0.000 0.259 434 N C -0.657 174.893 175.510 0.066 0.000 0.983 434 N CA -0.207 52.889 53.050 0.078 0.000 0.937 434 N CB 1.515 40.074 38.487 0.119 0.000 1.122 434 N HN 0.526 nan 8.380 nan 0.000 0.499 435 I N 2.246 122.850 120.570 0.057 0.000 2.433 435 I HA 0.294 4.473 4.170 0.016 0.000 0.292 435 I C -0.607 175.565 176.117 0.091 0.000 1.001 435 I CA -1.019 60.352 61.300 0.119 0.000 1.119 435 I CB 1.987 40.097 38.000 0.184 0.000 1.289 435 I HN 0.157 nan 8.210 nan 0.000 0.438 436 L N 7.727 129.027 121.223 0.128 0.000 2.305 436 L HA 0.570 4.919 4.340 0.016 0.000 0.284 436 L C -0.944 176.040 176.870 0.189 0.000 1.013 436 L CA -0.204 54.699 54.840 0.104 0.000 0.819 436 L CB 1.338 43.438 42.059 0.067 0.000 1.227 436 L HN 0.525 nan 8.230 nan 0.000 0.417 437 M N 6.218 125.917 119.600 0.164 0.000 2.114 437 M HA 0.558 5.048 4.480 0.016 0.000 0.332 437 M C -1.231 175.153 176.300 0.140 0.000 1.014 437 M CA -0.630 54.773 55.300 0.172 0.000 0.956 437 M CB 1.801 34.480 32.600 0.131 0.000 1.551 437 M HN 0.497 nan 8.290 nan 0.000 0.427 438 V N 2.812 122.790 119.914 0.106 0.000 2.851 438 V HA 0.814 4.943 4.120 0.016 0.000 0.307 438 V C -0.288 175.811 176.094 0.008 0.000 1.129 438 V CA -0.333 62.018 62.300 0.084 0.000 0.932 438 V CB 2.335 34.239 31.823 0.134 0.000 1.024 438 V HN 0.923 nan 8.190 nan 0.000 0.426 439 G N 3.235 112.035 108.800 0.000 0.000 2.539 439 G HA2 0.360 4.330 3.960 0.016 0.000 0.258 439 G HA3 0.360 4.330 3.960 0.016 0.000 0.258 439 G C 0.599 175.426 174.900 -0.122 0.000 1.202 439 G CA 0.408 45.472 45.100 -0.059 0.000 0.851 439 G HN 0.982 nan 8.290 nan 0.000 0.556 440 D N 0.786 121.046 120.400 -0.234 0.000 2.104 440 D HA -0.140 4.510 4.640 0.016 0.000 0.194 440 D C 2.263 178.468 176.300 -0.159 0.000 0.994 440 D CA 1.615 55.381 54.000 -0.391 0.000 0.830 440 D CB -1.061 39.492 40.800 -0.412 0.000 0.959 440 D HN 0.489 nan 8.370 nan 0.000 0.452 441 G N 0.107 108.855 108.800 -0.087 0.000 2.446 441 G HA2 -0.284 3.685 3.960 0.016 0.000 0.217 441 G HA3 -0.284 3.685 3.960 0.016 0.000 0.217 441 G C 1.821 176.705 174.900 -0.027 0.000 1.168 441 G CA 1.533 46.599 45.100 -0.058 0.000 0.771 441 G HN 0.408 nan 8.290 nan 0.000 0.551 442 S N 0.409 116.109 115.700 0.000 0.000 2.368 442 S HA -0.056 4.423 4.470 0.016 0.000 0.224 442 S C 1.893 176.538 174.600 0.074 0.000 1.029 442 S CA 0.887 59.111 58.200 0.041 0.000 0.988 442 S CB -0.410 62.821 63.200 0.053 0.000 0.838 442 S HN 0.376 nan 8.310 nan 0.000 0.462 443 F N 2.703 122.606 119.950 -0.078 0.000 2.154 443 F HA -0.206 4.331 4.527 0.017 0.000 0.301 443 F C 2.359 178.153 175.800 -0.010 0.000 1.087 443 F CA 1.565 59.535 58.000 -0.051 0.000 1.274 443 F CB -0.435 38.485 39.000 -0.133 0.000 1.009 443 F HN 0.197 nan 8.300 nan 0.000 0.485 444 Q N -0.344 119.422 119.800 -0.056 0.000 2.224 444 Q HA -0.175 4.175 4.340 0.016 0.000 0.203 444 Q C 2.090 178.107 176.000 0.028 0.000 0.970 444 Q CA 1.288 56.992 55.803 -0.165 0.000 0.865 444 Q CB -0.263 28.264 28.738 -0.351 0.000 0.922 444 Q HN 0.404 nan 8.270 nan 0.000 0.445 445 L N -0.086 121.153 121.223 0.028 0.000 2.201 445 L HA -0.106 4.243 4.340 0.016 0.000 0.212 445 L C 1.861 178.785 176.870 0.089 0.000 1.105 445 L CA 1.749 56.647 54.840 0.097 0.000 0.775 445 L CB -0.053 42.091 42.059 0.142 0.000 0.913 445 L HN 0.295 nan 8.230 nan 0.000 0.440 446 T N -6.147 108.403 114.554 -0.007 0.000 3.332 446 T HA 0.373 4.733 4.350 0.016 0.000 0.304 446 T C 1.423 176.021 174.700 -0.169 0.000 0.971 446 T CA 0.194 62.276 62.100 -0.031 0.000 0.954 446 T CB 0.065 68.934 68.868 0.002 0.000 1.175 446 T HN 0.043 nan 8.240 nan 0.000 0.519 447 A N 2.775 125.435 122.820 -0.267 0.000 1.958 447 A HA -0.222 4.107 4.320 0.016 0.000 0.221 447 A C 2.462 179.980 177.584 -0.110 0.000 1.178 447 A CA 1.922 53.682 52.037 -0.463 0.000 0.642 447 A CB -0.624 18.276 19.000 -0.167 0.000 0.816 447 A HN 0.708 nan 8.150 nan 0.000 0.453 448 Q N -0.624 119.151 119.800 -0.041 0.000 2.364 448 Q HA -0.189 4.160 4.340 0.016 0.000 0.209 448 Q C 1.241 176.992 176.000 -0.415 0.000 0.977 448 Q CA 1.719 57.403 55.803 -0.199 0.000 0.885 448 Q CB -0.421 28.267 28.738 -0.084 0.000 0.941 448 Q HN 0.590 nan 8.270 nan 0.000 0.464 449 E N 0.937 120.960 120.200 -0.294 0.000 2.347 449 E HA -0.031 4.328 4.350 0.016 0.000 0.196 449 E C 1.859 178.220 176.600 -0.398 0.000 1.008 449 E CA 0.381 56.561 56.400 -0.367 0.000 0.852 449 E CB -0.072 29.473 29.700 -0.258 0.000 0.783 449 E HN 0.228 nan 8.360 nan 0.000 0.505 450 V N 0.337 120.088 119.914 -0.272 0.000 2.490 450 V HA -0.280 3.849 4.120 0.016 0.000 0.250 450 V C 2.237 178.169 176.094 -0.271 0.000 1.061 450 V CA 1.629 63.865 62.300 -0.107 0.000 1.064 450 V CB -0.810 31.160 31.823 0.244 0.000 0.670 450 V HN 0.378 nan 8.190 nan 0.000 0.461 451 A N -0.557 121.825 122.820 -0.731 0.000 1.978 451 A HA -0.245 4.084 4.320 0.016 0.000 0.220 451 A C 2.185 179.578 177.584 -0.318 0.000 1.170 451 A CA 1.589 53.250 52.037 -0.627 0.000 0.636 451 A CB -0.354 18.110 19.000 -0.893 0.000 0.810 451 A HN 0.547 nan 8.150 nan 0.000 0.448 452 Q N -0.675 118.870 119.800 -0.424 0.000 2.172 452 Q HA -0.038 4.311 4.340 0.016 0.000 0.200 452 Q C 2.120 178.027 176.000 -0.154 0.000 0.964 452 Q CA 1.334 56.885 55.803 -0.421 0.000 0.855 452 Q CB -0.521 27.616 28.738 -1.002 0.000 0.918 452 Q HN 0.794 nan 8.270 nan 0.000 0.444 453 M N -0.094 119.444 119.600 -0.104 0.000 2.108 453 M HA -0.160 4.329 4.480 0.016 0.000 0.261 453 M C 2.253 178.626 176.300 0.121 0.000 1.066 453 M CA 1.216 56.619 55.300 0.172 0.000 1.107 453 M CB -0.430 32.267 32.600 0.162 0.000 1.356 453 M HN -0.027 nan 8.290 nan 0.000 0.406 454 V N 0.138 120.091 119.914 0.064 0.000 2.295 454 V HA -0.287 3.842 4.120 0.016 0.000 0.246 454 V C 2.415 178.554 176.094 0.075 0.000 1.049 454 V CA 2.025 64.373 62.300 0.080 0.000 1.024 454 V CB -0.844 31.035 31.823 0.093 0.000 0.648 454 V HN 0.473 nan 8.190 nan 0.000 0.447 455 R N -0.160 120.371 120.500 0.053 0.000 2.103 455 R HA -0.136 4.213 4.340 0.016 0.000 0.242 455 R C 1.923 178.279 176.300 0.093 0.000 1.142 455 R CA 1.645 57.783 56.100 0.064 0.000 0.960 455 R CB -0.179 30.148 30.300 0.044 0.000 0.858 455 R HN 0.462 nan 8.270 nan 0.000 0.439 456 L N 0.566 121.869 121.223 0.132 0.000 2.611 456 L HA 0.149 4.499 4.340 0.016 0.000 0.229 456 L C 0.074 177.007 176.870 0.106 0.000 1.137 456 L CA 0.144 55.064 54.840 0.133 0.000 0.901 456 L CB 0.110 42.284 42.059 0.190 0.000 1.098 456 L HN 0.174 nan 8.230 nan 0.000 0.456 457 K N 0.725 121.185 120.400 0.100 0.000 3.096 457 K HA -0.164 4.165 4.320 0.016 0.000 0.266 457 K C -0.466 176.184 176.600 0.082 0.000 1.043 457 K CA 0.403 56.739 56.287 0.082 0.000 0.758 457 K CB -1.902 30.637 32.500 0.064 0.000 1.260 457 K HN 0.297 nan 8.250 nan 0.000 0.481 458 L N 0.886 122.173 121.223 0.106 0.000 2.281 458 L HA 0.240 4.589 4.340 0.016 0.000 0.285 458 L C -1.619 175.304 176.870 0.089 0.000 1.074 458 L CA -2.155 52.743 54.840 0.098 0.000 0.817 458 L CB 0.471 42.608 42.059 0.131 0.000 1.168 458 L HN -0.144 nan 8.230 nan 0.000 0.434 459 P HA 0.067 nan 4.420 nan 0.000 0.226 459 P C -0.172 177.162 177.300 0.056 0.000 1.758 459 P CA -0.097 63.036 63.100 0.056 0.000 0.896 459 P CB -0.127 31.601 31.700 0.046 0.000 1.784 460 V N 1.509 121.465 119.914 0.070 0.000 2.637 460 V HA 0.050 4.179 4.120 0.016 0.000 0.296 460 V C 0.977 177.085 176.094 0.024 0.000 1.046 460 V CA 0.033 62.371 62.300 0.064 0.000 1.066 460 V CB 0.437 32.314 31.823 0.091 0.000 0.968 460 V HN 0.182 nan 8.190 nan 0.000 0.483 461 I N 5.933 126.503 120.570 -0.001 0.000 2.312 461 I HA 0.407 4.587 4.170 0.016 0.000 0.290 461 I C -0.258 175.765 176.117 -0.157 0.000 1.008 461 I CA -0.118 61.116 61.300 -0.110 0.000 1.226 461 I CB 0.953 38.887 38.000 -0.110 0.000 1.371 461 I HN 0.437 nan 8.210 nan 0.000 0.468 462 I N 6.471 126.903 120.570 -0.230 0.000 2.330 462 I HA 0.276 4.455 4.170 0.016 0.000 0.289 462 I C -0.732 175.182 176.117 -0.338 0.000 1.001 462 I CA -0.424 60.781 61.300 -0.158 0.000 1.193 462 I CB 0.795 38.769 38.000 -0.044 0.000 1.345 462 I HN 0.363 nan 8.210 nan 0.000 0.461 463 F N 6.833 126.768 119.950 -0.026 0.000 2.368 463 F HA 0.251 4.787 4.527 0.015 0.000 0.362 463 F C 0.106 175.842 175.800 -0.107 0.000 1.137 463 F CA -0.494 57.476 58.000 -0.051 0.000 1.161 463 F CB 0.732 39.720 39.000 -0.020 0.000 1.265 463 F HN 0.303 nan 8.300 nan 0.000 0.530 464 L N 6.201 127.370 121.223 -0.091 0.000 2.261 464 L HA 0.395 4.745 4.340 0.016 0.000 0.289 464 L C -0.566 176.163 176.870 -0.234 0.000 1.059 464 L CA -0.417 54.262 54.840 -0.269 0.000 0.816 464 L CB 0.385 42.119 42.059 -0.543 0.000 1.191 464 L HN 0.352 nan 8.230 nan 0.000 0.431 465 I N 5.387 125.852 120.570 -0.176 0.000 2.308 465 I HA 0.126 4.305 4.170 0.016 0.000 0.293 465 I C 0.494 176.482 176.117 -0.215 0.000 1.078 465 I CA -0.124 61.094 61.300 -0.136 0.000 1.292 465 I CB 0.032 38.006 38.000 -0.043 0.000 1.423 465 I HN 0.538 nan 8.210 nan 0.000 0.493 466 N N 6.721 125.251 118.700 -0.284 0.000 2.645 466 N HA 0.092 4.842 4.740 0.016 0.000 0.233 466 N C 0.192 175.652 175.510 -0.083 0.000 1.058 466 N CA -0.230 52.655 53.050 -0.275 0.000 0.942 466 N CB 0.223 38.394 38.487 -0.527 0.000 1.210 466 N HN 0.457 nan 8.380 nan 0.000 0.512 467 N N 2.957 121.674 118.700 0.028 0.000 2.328 467 N HA 0.019 4.768 4.740 0.016 0.000 0.247 467 N C -0.412 175.248 175.510 0.249 0.000 1.165 467 N CA -0.615 52.508 53.050 0.121 0.000 0.873 467 N CB -0.535 38.020 38.487 0.112 0.000 1.125 467 N HN 0.319 nan 8.380 nan 0.000 0.513 468 Y N 1.514 121.853 120.300 0.065 0.000 3.389 468 Y HA -0.167 4.393 4.550 0.016 0.000 0.213 468 Y C 1.175 177.129 175.900 0.090 0.000 1.272 468 Y CA 0.842 58.997 58.100 0.091 0.000 1.444 468 Y CB -1.645 36.878 38.460 0.104 0.000 1.445 468 Y HN 0.660 nan 8.280 nan 0.000 0.583 469 G N 0.016 108.860 108.800 0.075 0.000 2.143 469 G HA2 -0.374 3.596 3.960 0.016 0.000 0.248 469 G HA3 -0.374 3.596 3.960 0.016 0.000 0.248 469 G C -0.063 174.832 174.900 -0.009 0.000 0.991 469 G CA -0.029 45.053 45.100 -0.031 0.000 0.689 469 G HN 1.038 nan 8.290 nan 0.000 0.522 470 Y N 2.765 123.046 120.300 -0.033 0.000 2.537 470 Y HA 0.456 5.016 4.550 0.017 0.000 0.339 470 Y C 1.083 176.971 175.900 -0.020 0.000 1.066 470 Y CA 0.788 58.875 58.100 -0.022 0.000 1.357 470 Y CB 0.490 38.955 38.460 0.008 0.000 1.175 470 Y HN 0.451 nan 8.280 nan 0.000 0.525 471 T N 2.345 116.581 114.554 -0.530 0.000 2.888 471 T HA 0.238 4.598 4.350 0.016 0.000 0.288 471 T C 0.593 174.992 174.700 -0.503 0.000 1.063 471 T CA -0.800 61.089 62.100 -0.350 0.000 1.010 471 T CB 1.188 69.944 68.868 -0.186 0.000 1.214 471 T HN 0.517 nan 8.240 nan 0.000 0.533 472 I N 0.880 121.308 120.570 -0.237 0.000 2.423 472 I HA -0.026 4.154 4.170 0.016 0.000 0.254 472 I C 2.038 178.059 176.117 -0.159 0.000 1.151 472 I CA 1.478 62.676 61.300 -0.171 0.000 1.421 472 I CB -0.961 37.007 38.000 -0.052 0.000 1.079 472 I HN 0.767 nan 8.210 nan 0.000 0.431 473 E N -0.255 119.863 120.200 -0.137 0.000 2.160 473 E HA -0.158 4.201 4.350 0.016 0.000 0.195 473 E C 2.297 178.855 176.600 -0.070 0.000 0.991 473 E CA 1.322 57.691 56.400 -0.051 0.000 0.810 473 E CB -0.398 29.296 29.700 -0.011 0.000 0.742 473 E HN 0.382 nan 8.360 nan 0.000 0.466 474 V N 0.664 120.440 119.914 -0.230 0.000 2.490 474 V HA -0.252 3.877 4.120 0.016 0.000 0.250 474 V C 2.185 178.215 176.094 -0.107 0.000 1.061 474 V CA 1.932 64.101 62.300 -0.219 0.000 1.064 474 V CB -0.393 31.170 31.823 -0.433 0.000 0.670 474 V HN 0.361 nan 8.190 nan 0.000 0.461 475 M N -0.005 119.525 119.600 -0.117 0.000 2.248 475 M HA 0.007 4.497 4.480 0.016 0.000 0.265 475 M C 2.015 178.307 176.300 -0.013 0.000 1.079 475 M CA 1.832 57.127 55.300 -0.008 0.000 1.150 475 M CB 0.096 32.715 32.600 0.031 0.000 1.366 475 M HN 0.423 nan 8.290 nan 0.000 0.433 476 I N -3.513 117.048 120.570 -0.015 0.000 3.265 476 I HA 0.100 4.280 4.170 0.016 0.000 0.282 476 I C 0.287 176.421 176.117 0.028 0.000 1.207 476 I CA 0.604 61.902 61.300 -0.004 0.000 1.449 476 I CB -0.148 37.846 38.000 -0.009 0.000 1.121 476 I HN 0.265 nan 8.210 nan 0.000 0.442 477 H N 1.486 120.547 119.070 -0.016 0.000 2.490 477 H HA 0.326 4.892 4.556 0.017 0.000 0.230 477 H C -1.217 174.142 175.328 0.051 0.000 1.417 477 H CA -0.631 55.434 56.048 0.028 0.000 1.449 477 H CB 0.271 30.060 29.762 0.045 0.000 1.649 477 H HN 0.128 nan 8.280 nan 0.000 0.519 478 D N 1.134 121.573 120.400 0.064 0.000 2.382 478 D HA 0.466 5.115 4.640 0.016 0.000 0.245 478 D C 0.349 176.584 176.300 -0.109 0.000 1.120 478 D CA 0.839 54.828 54.000 -0.018 0.000 0.890 478 D CB 1.220 41.989 40.800 -0.052 0.000 1.201 478 D HN 0.709 nan 8.370 nan 0.000 0.433 479 G N 2.190 110.752 108.800 -0.397 0.000 2.547 479 G HA2 0.315 4.284 3.960 0.016 0.000 0.291 479 G HA3 0.315 4.284 3.960 0.016 0.000 0.291 479 G C -2.349 172.058 174.900 -0.821 0.000 1.471 479 G CA -0.912 43.695 45.100 -0.820 0.000 0.798 479 G HN 0.224 nan 8.290 nan 0.000 0.504 480 P HA -0.087 nan 4.420 nan 0.000 0.219 480 P C 1.268 178.417 177.300 -0.252 0.000 1.146 480 P CA 1.265 64.183 63.100 -0.304 0.000 0.808 480 P CB -0.123 31.485 31.700 -0.153 0.000 0.779 481 Y N -1.861 118.428 120.300 -0.018 0.000 2.571 481 Y HA 0.070 4.631 4.550 0.018 0.000 0.294 481 Y C 1.534 177.405 175.900 -0.049 0.000 1.141 481 Y CA 0.151 58.233 58.100 -0.029 0.000 1.308 481 Y CB -2.043 36.399 38.460 -0.029 0.000 1.002 481 Y HN -0.073 nan 8.280 nan 0.000 0.551 482 N N 0.318 119.003 118.700 -0.025 0.000 2.463 482 N HA -0.049 4.700 4.740 0.016 0.000 0.181 482 N C -0.496 174.957 175.510 -0.094 0.000 1.078 482 N CA 0.301 53.340 53.050 -0.019 0.000 0.902 482 N CB -0.214 38.229 38.487 -0.073 0.000 0.970 482 N HN 0.375 nan 8.380 nan 0.000 0.451 483 N N 1.265 119.892 118.700 -0.122 0.000 2.524 483 N HA 0.272 5.022 4.740 0.016 0.000 0.283 483 N C 0.325 175.757 175.510 -0.130 0.000 1.142 483 N CA -0.222 52.717 53.050 -0.185 0.000 0.984 483 N CB 1.624 40.006 38.487 -0.175 0.000 1.155 483 N HN 0.188 nan 8.380 nan 0.000 0.467 484 I N -2.757 117.700 120.570 -0.189 0.000 3.108 484 I HA 0.590 4.769 4.170 0.016 0.000 0.312 484 I C -0.222 175.920 176.117 0.041 0.000 1.095 484 I CA -1.260 60.007 61.300 -0.056 0.000 1.000 484 I CB 1.908 39.880 38.000 -0.047 0.000 1.229 484 I HN 0.059 nan 8.210 nan 0.000 0.454 485 K N 3.064 123.549 120.400 0.141 0.000 2.312 485 K HA 0.202 4.531 4.320 0.016 0.000 0.287 485 K C -0.474 176.307 176.600 0.302 0.000 1.062 485 K CA 0.116 56.559 56.287 0.260 0.000 0.934 485 K CB 0.343 33.021 32.500 0.297 0.000 1.027 485 K HN 0.693 nan 8.250 nan 0.000 0.478 486 N N 3.682 122.623 118.700 0.403 0.000 2.518 486 N HA 0.167 4.916 4.740 0.016 0.000 0.266 486 N C -1.115 174.572 175.510 0.295 0.000 1.196 486 N CA -0.108 53.136 53.050 0.323 0.000 0.947 486 N CB 0.363 38.997 38.487 0.245 0.000 1.098 486 N HN 0.338 nan 8.380 nan 0.000 0.450 487 W N 0.590 121.694 121.300 -0.327 0.000 2.671 487 W HA 0.264 4.933 4.660 0.015 0.000 0.360 487 W C -0.140 176.040 176.519 -0.566 0.000 1.128 487 W CA -0.867 56.155 57.345 -0.539 0.000 1.184 487 W CB 0.016 28.994 29.460 -0.804 0.000 1.415 487 W HN 0.442 nan 8.180 nan 0.000 0.604 488 D N 0.484 120.829 120.400 -0.092 0.000 2.483 488 D HA 0.087 4.736 4.640 0.016 0.000 0.220 488 D C 0.561 176.848 176.300 -0.022 0.000 1.173 488 D CA -0.131 53.853 54.000 -0.026 0.000 0.964 488 D CB -0.173 40.631 40.800 0.006 0.000 1.046 488 D HN 0.170 nan 8.370 nan 0.000 0.517 489 Y N 2.218 122.606 120.300 0.147 0.000 2.224 489 Y HA -0.112 4.448 4.550 0.015 0.000 0.289 489 Y C 2.491 178.403 175.900 0.020 0.000 1.146 489 Y CA 1.165 59.317 58.100 0.086 0.000 1.182 489 Y CB -0.472 37.915 38.460 -0.121 0.000 0.983 489 Y HN 0.498 nan 8.280 nan 0.000 0.524 490 A N 0.285 123.203 122.820 0.163 0.000 1.902 490 A HA -0.124 4.206 4.320 0.016 0.000 0.217 490 A C 2.562 180.180 177.584 0.056 0.000 1.181 490 A CA 1.757 53.852 52.037 0.097 0.000 0.623 490 A CB -1.473 17.595 19.000 0.113 0.000 0.818 490 A HN 0.468 nan 8.150 nan 0.000 0.443 491 G N -0.679 108.144 108.800 0.038 0.000 2.509 491 G HA2 -0.046 3.924 3.960 0.016 0.000 0.218 491 G HA3 -0.046 3.924 3.960 0.016 0.000 0.218 491 G C 1.349 176.206 174.900 -0.072 0.000 1.124 491 G CA 0.967 46.059 45.100 -0.013 0.000 0.776 491 G HN 0.451 nan 8.290 nan 0.000 0.547 492 L N 0.201 121.379 121.223 -0.075 0.000 2.191 492 L HA 0.074 4.424 4.340 0.016 0.000 0.212 492 L C 2.574 179.248 176.870 -0.327 0.000 1.103 492 L CA 1.222 55.914 54.840 -0.247 0.000 0.769 492 L CB -0.264 41.740 42.059 -0.092 0.000 0.908 492 L HN 0.072 nan 8.230 nan 0.000 0.438 493 M N -0.806 118.753 119.600 -0.068 0.000 2.080 493 M HA -0.172 4.318 4.480 0.016 0.000 0.260 493 M C 2.143 178.457 176.300 0.025 0.000 1.068 493 M CA 1.514 56.840 55.300 0.042 0.000 1.109 493 M CB -1.147 31.500 32.600 0.078 0.000 1.342 493 M HN 0.242 nan 8.290 nan 0.000 0.405 494 E N -0.170 120.021 120.200 -0.015 0.000 2.150 494 E HA -0.090 4.269 4.350 0.016 0.000 0.193 494 E C 2.313 178.902 176.600 -0.018 0.000 0.985 494 E CA 0.859 57.258 56.400 -0.002 0.000 0.814 494 E CB -0.492 29.202 29.700 -0.010 0.000 0.752 494 E HN 0.304 nan 8.360 nan 0.000 0.466 495 V N 1.046 120.896 119.914 -0.107 0.000 2.287 495 V HA -0.249 3.881 4.120 0.016 0.000 0.248 495 V C 2.118 178.226 176.094 0.023 0.000 1.053 495 V CA 1.669 63.896 62.300 -0.123 0.000 1.027 495 V CB -0.589 31.057 31.823 -0.296 0.000 0.646 495 V HN 0.124 nan 8.190 nan 0.000 0.447 496 F N 0.668 120.643 119.950 0.042 0.000 2.293 496 F HA -0.050 4.487 4.527 0.016 0.000 0.300 496 F C 2.283 178.108 175.800 0.042 0.000 1.086 496 F CA 0.680 58.706 58.000 0.043 0.000 1.375 496 F CB -1.235 37.800 39.000 0.058 0.000 1.045 496 F HN 0.225 nan 8.300 nan 0.000 0.516 497 N N 0.309 119.134 118.700 0.208 0.000 2.120 497 N HA -0.083 4.666 4.740 0.016 0.000 0.188 497 N C 1.815 177.389 175.510 0.106 0.000 1.024 497 N CA 1.427 54.556 53.050 0.133 0.000 0.852 497 N CB -0.778 37.763 38.487 0.091 0.000 1.003 497 N HN 0.279 nan 8.380 nan 0.000 0.424 498 G N 1.146 110.001 108.800 0.092 0.000 2.305 498 G HA2 -0.293 3.677 3.960 0.016 0.000 0.287 498 G HA3 -0.293 3.677 3.960 0.016 0.000 0.287 498 G C -0.290 174.636 174.900 0.043 0.000 1.036 498 G CA -0.027 45.114 45.100 0.069 0.000 0.887 498 G HN 0.280 nan 8.290 nan 0.000 0.505 499 N N 0.450 119.170 118.700 0.034 0.000 2.458 499 N HA 0.408 5.157 4.740 0.016 0.000 0.258 499 N C 1.353 176.862 175.510 -0.001 0.000 1.219 499 N CA 1.426 54.488 53.050 0.021 0.000 0.902 499 N CB 0.914 39.413 38.487 0.021 0.000 1.076 499 N HN 1.399 nan 8.380 nan 0.000 0.455 500 G N 0.176 108.970 108.800 -0.010 0.000 2.137 500 G HA2 -0.163 3.807 3.960 0.016 0.000 0.237 500 G HA3 -0.163 3.807 3.960 0.016 0.000 0.237 500 G C 0.463 175.321 174.900 -0.070 0.000 1.002 500 G CA 0.262 45.342 45.100 -0.034 0.000 0.702 500 G HN 0.890 nan 8.290 nan 0.000 0.515 501 G N -1.762 106.999 108.800 -0.065 0.000 3.217 501 G HA2 0.591 4.560 3.960 0.016 0.000 0.213 501 G HA3 0.591 4.560 3.960 0.016 0.000 0.213 501 G C 0.631 175.456 174.900 -0.124 0.000 1.294 501 G CA 0.012 45.027 45.100 -0.141 0.000 0.987 501 G HN 0.076 nan 8.290 nan 0.000 0.584 502 Y N 0.764 121.073 120.300 0.015 0.000 2.165 502 Y HA -0.016 4.544 4.550 0.016 0.000 0.286 502 Y C 1.731 177.641 175.900 0.016 0.000 1.155 502 Y CA 1.769 59.877 58.100 0.013 0.000 1.164 502 Y CB -0.121 38.346 38.460 0.011 0.000 0.978 502 Y HN 0.617 nan 8.280 nan 0.000 0.513 503 D N -1.877 118.626 120.400 0.172 0.000 2.720 503 D HA 0.532 5.182 4.640 0.016 0.000 0.232 503 D C -0.369 175.977 176.300 0.076 0.000 1.173 503 D CA -0.281 53.783 54.000 0.108 0.000 1.082 503 D CB 0.635 41.495 40.800 0.100 0.000 1.235 503 D HN 0.010 nan 8.370 nan 0.000 0.636 504 S N -2.622 113.119 115.700 0.069 0.000 2.688 504 S HA 0.836 5.315 4.470 0.016 0.000 0.275 504 S C -0.527 174.113 174.600 0.067 0.000 1.175 504 S CA -0.503 57.733 58.200 0.060 0.000 0.818 504 S CB 1.471 64.700 63.200 0.047 0.000 1.157 504 S HN 1.205 nan 8.310 nan 0.000 0.482 505 G N -1.106 107.734 108.800 0.066 0.000 2.703 505 G HA2 0.705 4.675 3.960 0.016 0.000 0.294 505 G HA3 0.705 4.675 3.960 0.016 0.000 0.294 505 G C -0.546 174.394 174.900 0.067 0.000 1.451 505 G CA -0.228 44.917 45.100 0.075 0.000 0.869 505 G HN 1.498 nan 8.290 nan 0.000 0.516 506 A N 0.393 123.254 122.820 0.068 0.000 2.701 506 A HA 0.713 5.042 4.320 0.016 0.000 0.297 506 A C 1.007 178.629 177.584 0.064 0.000 1.197 506 A CA 0.440 52.512 52.037 0.058 0.000 0.963 506 A CB -0.154 18.877 19.000 0.050 0.000 1.175 506 A HN 1.461 nan 8.150 nan 0.000 0.531 507 G N 0.043 108.892 108.800 0.081 0.000 2.539 507 G HA2 0.491 4.461 3.960 0.016 0.000 0.258 507 G HA3 0.491 4.461 3.960 0.016 0.000 0.258 507 G C -0.324 174.617 174.900 0.069 0.000 1.202 507 G CA -0.345 44.808 45.100 0.087 0.000 0.851 507 G HN 0.345 nan 8.290 nan 0.000 0.556 508 K N -0.116 120.318 120.400 0.057 0.000 2.427 508 K HA 0.548 4.878 4.320 0.016 0.000 0.252 508 K C -0.341 176.280 176.600 0.035 0.000 0.931 508 K CA -0.697 55.614 56.287 0.040 0.000 0.793 508 K CB 2.533 35.048 32.500 0.025 0.000 1.211 508 K HN 0.592 nan 8.250 nan 0.000 0.426 509 G N 3.166 111.986 108.800 0.034 0.000 2.487 509 G HA2 0.626 4.595 3.960 0.016 0.000 0.314 509 G HA3 0.626 4.595 3.960 0.016 0.000 0.314 509 G C -0.867 174.053 174.900 0.034 0.000 1.267 509 G CA -0.500 44.620 45.100 0.033 0.000 0.937 509 G HN 0.360 nan 8.290 nan 0.000 0.481 510 L N 1.244 122.484 121.223 0.029 0.000 2.354 510 L HA 0.623 4.972 4.340 0.016 0.000 0.264 510 L C -0.094 176.828 176.870 0.087 0.000 1.008 510 L CA -1.067 53.800 54.840 0.045 0.000 0.819 510 L CB 2.690 44.764 42.059 0.025 0.000 1.339 510 L HN 0.332 nan 8.230 nan 0.000 0.420 511 K N 1.173 121.647 120.400 0.124 0.000 2.203 511 K HA 0.857 5.187 4.320 0.016 0.000 0.251 511 K C -1.041 175.671 176.600 0.187 0.000 0.944 511 K CA -0.673 55.753 56.287 0.231 0.000 0.829 511 K CB 2.383 35.035 32.500 0.254 0.000 1.125 511 K HN 0.664 nan 8.250 nan 0.000 0.430 512 A N 2.323 125.306 122.820 0.272 0.000 2.414 512 A HA 0.326 4.656 4.320 0.016 0.000 0.286 512 A C -0.359 177.376 177.584 0.251 0.000 1.073 512 A CA -0.717 51.437 52.037 0.195 0.000 0.727 512 A CB 0.742 19.839 19.000 0.161 0.000 1.215 512 A HN 0.821 nan 8.150 nan 0.000 0.430 513 K N 0.805 121.282 120.400 0.127 0.000 2.402 513 K HA 0.172 4.501 4.320 0.016 0.000 0.204 513 K C 0.288 176.926 176.600 0.063 0.000 1.056 513 K CA 0.830 57.171 56.287 0.091 0.000 1.069 513 K CB 1.042 33.505 32.500 -0.062 0.000 0.888 513 K HN 0.832 nan 8.250 nan 0.000 0.546 514 T N -4.252 110.338 114.554 0.060 0.000 2.883 514 T HA 0.361 4.721 4.350 0.016 0.000 0.296 514 T C 1.142 175.874 174.700 0.052 0.000 1.117 514 T CA -0.505 61.621 62.100 0.044 0.000 1.006 514 T CB 1.757 70.640 68.868 0.025 0.000 1.191 514 T HN -0.011 nan 8.240 nan 0.000 0.508 515 G N 0.173 108.998 108.800 0.041 0.000 2.442 515 G HA2 0.050 4.019 3.960 0.016 0.000 0.219 515 G HA3 0.050 4.019 3.960 0.016 0.000 0.219 515 G C 1.447 176.372 174.900 0.043 0.000 1.141 515 G CA 0.864 45.989 45.100 0.041 0.000 0.763 515 G HN 1.142 nan 8.290 nan 0.000 0.554 516 G N 0.503 109.324 108.800 0.035 0.000 2.402 516 G HA2 -0.106 3.863 3.960 0.016 0.000 0.216 516 G HA3 -0.106 3.863 3.960 0.016 0.000 0.216 516 G C 1.614 176.538 174.900 0.040 0.000 1.162 516 G CA 1.010 46.130 45.100 0.033 0.000 0.777 516 G HN 0.523 nan 8.290 nan 0.000 0.539 517 E N -0.374 119.853 120.200 0.044 0.000 2.106 517 E HA -0.065 4.294 4.350 0.016 0.000 0.192 517 E C 2.358 179.000 176.600 0.071 0.000 0.984 517 E CA 0.514 56.945 56.400 0.051 0.000 0.806 517 E CB -0.132 29.598 29.700 0.051 0.000 0.750 517 E HN 0.328 nan 8.360 nan 0.000 0.458 518 L N 1.039 122.313 121.223 0.085 0.000 2.046 518 L HA -0.119 4.231 4.340 0.016 0.000 0.208 518 L C 2.203 179.138 176.870 0.109 0.000 1.077 518 L CA 1.969 56.878 54.840 0.115 0.000 0.747 518 L CB -0.648 41.485 42.059 0.123 0.000 0.896 518 L HN 0.033 nan 8.230 nan 0.000 0.432 519 A N -0.855 122.014 122.820 0.081 0.000 1.908 519 A HA -0.181 4.148 4.320 0.016 0.000 0.218 519 A C 2.132 179.755 177.584 0.065 0.000 1.181 519 A CA 1.715 53.794 52.037 0.071 0.000 0.627 519 A CB -0.551 18.480 19.000 0.051 0.000 0.818 519 A HN 0.527 nan 8.150 nan 0.000 0.445 520 E N -0.011 120.222 120.200 0.055 0.000 2.072 520 E HA -0.099 4.260 4.350 0.016 0.000 0.191 520 E C 2.366 178.994 176.600 0.047 0.000 0.985 520 E CA 1.262 57.689 56.400 0.045 0.000 0.801 520 E CB -0.783 28.939 29.700 0.037 0.000 0.750 520 E HN 0.566 nan 8.360 nan 0.000 0.452 521 A N 1.303 124.156 122.820 0.055 0.000 1.902 521 A HA -0.155 4.174 4.320 0.016 0.000 0.217 521 A C 2.365 179.971 177.584 0.038 0.000 1.181 521 A CA 1.201 53.264 52.037 0.043 0.000 0.623 521 A CB -0.715 18.315 19.000 0.050 0.000 0.818 521 A HN 0.189 nan 8.150 nan 0.000 0.443 522 I N -0.613 120.004 120.570 0.079 0.000 2.286 522 I HA -0.281 3.899 4.170 0.016 0.000 0.248 522 I C 2.483 178.639 176.117 0.065 0.000 1.115 522 I CA 1.532 62.891 61.300 0.099 0.000 1.392 522 I CB -0.253 37.851 38.000 0.173 0.000 1.065 522 I HN 0.320 nan 8.210 nan 0.000 0.418 523 K N 0.271 120.705 120.400 0.056 0.000 2.057 523 K HA -0.114 4.216 4.320 0.016 0.000 0.206 523 K C 2.088 178.706 176.600 0.031 0.000 1.050 523 K CA 1.168 57.481 56.287 0.043 0.000 0.935 523 K CB -0.162 32.361 32.500 0.038 0.000 0.715 523 K HN 0.157 nan 8.250 nan 0.000 0.439 524 V N 1.459 121.389 119.914 0.026 0.000 2.407 524 V HA -0.263 3.866 4.120 0.016 0.000 0.248 524 V C 2.359 178.460 176.094 0.012 0.000 1.055 524 V CA 2.044 64.355 62.300 0.019 0.000 1.049 524 V CB -0.662 31.171 31.823 0.017 0.000 0.662 524 V HN 0.348 nan 8.190 nan 0.000 0.455 525 A N -0.288 122.533 122.820 0.003 0.000 1.898 525 A HA -0.128 4.202 4.320 0.016 0.000 0.216 525 A C 2.196 179.784 177.584 0.007 0.000 1.181 525 A CA 1.639 53.667 52.037 -0.015 0.000 0.620 525 A CB -0.508 18.454 19.000 -0.064 0.000 0.819 525 A HN 0.501 nan 8.150 nan 0.000 0.442 526 L N -0.946 120.291 121.223 0.024 0.000 2.141 526 L HA -0.152 4.197 4.340 0.016 0.000 0.209 526 L C 2.872 179.759 176.870 0.028 0.000 1.094 526 L CA 0.937 55.797 54.840 0.033 0.000 0.763 526 L CB -0.356 41.728 42.059 0.043 0.000 0.908 526 L HN 0.445 nan 8.230 nan 0.000 0.437 527 A N -0.894 121.941 122.820 0.025 0.000 2.123 527 A HA -0.069 4.261 4.320 0.016 0.000 0.214 527 A C 1.070 178.668 177.584 0.023 0.000 1.152 527 A CA 0.233 52.284 52.037 0.023 0.000 0.728 527 A CB -0.408 18.605 19.000 0.022 0.000 0.814 527 A HN 0.337 nan 8.150 nan 0.000 0.464 528 N N 1.224 119.937 118.700 0.022 0.000 2.415 528 N HA 0.097 4.846 4.740 0.016 0.000 0.250 528 N C 0.885 176.412 175.510 0.028 0.000 1.127 528 N CA 0.872 53.937 53.050 0.024 0.000 0.945 528 N CB 0.640 39.140 38.487 0.022 0.000 1.196 528 N HN 0.292 nan 8.380 nan 0.000 0.499 529 T N -1.356 113.216 114.554 0.030 0.000 3.069 529 T HA 0.172 4.531 4.350 0.016 0.000 0.252 529 T C 0.352 175.074 174.700 0.037 0.000 1.053 529 T CA 0.050 62.169 62.100 0.032 0.000 0.964 529 T CB 0.240 69.125 68.868 0.028 0.000 1.005 529 T HN 0.192 nan 8.240 nan 0.000 0.532 530 D N 1.073 121.496 120.400 0.039 0.000 2.369 530 D HA 0.375 5.024 4.640 0.016 0.000 0.211 530 D C 0.967 177.299 176.300 0.053 0.000 1.077 530 D CA 0.338 54.364 54.000 0.043 0.000 0.842 530 D CB 1.041 41.865 40.800 0.040 0.000 0.947 530 D HN 0.642 nan 8.370 nan 0.000 0.509 531 G N 0.768 109.601 108.800 0.056 0.000 2.451 531 G HA2 0.333 4.303 3.960 0.016 0.000 0.292 531 G HA3 0.333 4.303 3.960 0.016 0.000 0.292 531 G C -3.125 171.815 174.900 0.066 0.000 1.427 531 G CA -0.927 44.214 45.100 0.069 0.000 0.792 531 G HN -0.298 nan 8.290 nan 0.000 0.498 532 P HA 0.365 nan 4.420 nan 0.000 0.274 532 P C -0.586 176.745 177.300 0.051 0.000 1.237 532 P CA 0.166 63.309 63.100 0.073 0.000 0.793 532 P CB 1.274 33.038 31.700 0.107 0.000 0.977 533 T N 2.495 117.055 114.554 0.010 0.000 2.847 533 T HA 0.398 4.757 4.350 0.016 0.000 0.291 533 T C -0.259 174.396 174.700 -0.076 0.000 0.998 533 T CA -0.412 61.673 62.100 -0.024 0.000 0.967 533 T CB 0.558 69.395 68.868 -0.051 0.000 0.954 533 T HN 0.287 nan 8.240 nan 0.000 0.441 534 L N 5.153 126.347 121.223 -0.047 0.000 2.264 534 L HA 0.624 4.974 4.340 0.016 0.000 0.289 534 L C -0.950 175.848 176.870 -0.119 0.000 1.044 534 L CA -0.760 54.024 54.840 -0.093 0.000 0.807 534 L CB 0.378 42.416 42.059 -0.035 0.000 1.192 534 L HN 0.643 nan 8.230 nan 0.000 0.425 535 I N 5.104 125.552 120.570 -0.204 0.000 2.330 535 I HA 0.232 4.411 4.170 0.016 0.000 0.286 535 I C 0.006 176.066 176.117 -0.095 0.000 1.025 535 I CA -0.336 60.881 61.300 -0.138 0.000 1.197 535 I CB 1.417 39.293 38.000 -0.207 0.000 1.358 535 I HN 0.616 nan 8.210 nan 0.000 0.467 536 E N 6.296 126.467 120.200 -0.048 0.000 2.070 536 E HA 0.209 4.568 4.350 0.016 0.000 0.282 536 E C -1.098 175.444 176.600 -0.098 0.000 1.104 536 E CA -0.547 55.774 56.400 -0.131 0.000 0.876 536 E CB 0.580 30.234 29.700 -0.077 0.000 1.055 536 E HN 0.617 nan 8.360 nan 0.000 0.401 537 C N 6.137 125.356 119.300 -0.134 0.000 2.265 537 C HA 0.335 4.804 4.460 0.016 0.000 0.332 537 C C -0.340 174.585 174.990 -0.109 0.000 1.248 537 C CA -0.826 58.191 59.018 -0.002 0.000 1.727 537 C CB -1.152 26.625 27.740 0.062 0.000 2.348 537 C HN 0.590 nan 8.230 nan 0.000 0.519 538 F N 5.037 125.008 119.950 0.035 0.000 2.404 538 F HA 0.572 5.109 4.527 0.016 0.000 0.358 538 F C 0.696 176.509 175.800 0.022 0.000 1.120 538 F CA -0.468 57.551 58.000 0.032 0.000 1.144 538 F CB 0.337 39.354 39.000 0.029 0.000 1.133 538 F HN 0.489 nan 8.300 nan 0.000 0.495 539 I N -0.207 120.445 120.570 0.136 0.000 2.934 539 I HA 0.911 5.090 4.170 0.016 0.000 0.306 539 I C 0.305 176.456 176.117 0.058 0.000 1.110 539 I CA -1.197 60.153 61.300 0.083 0.000 1.019 539 I CB 1.762 39.785 38.000 0.039 0.000 1.227 539 I HN 0.547 nan 8.210 nan 0.000 0.434 540 G N 2.824 111.634 108.800 0.016 0.000 2.667 540 G HA2 0.334 4.304 3.960 0.016 0.000 0.250 540 G HA3 0.334 4.304 3.960 0.016 0.000 0.250 540 G C -0.175 174.656 174.900 -0.116 0.000 1.212 540 G CA -0.757 44.328 45.100 -0.025 0.000 0.874 540 G HN 0.753 nan 8.290 nan 0.000 0.561 541 R N -0.277 120.114 120.500 -0.182 0.000 2.560 541 R HA 0.286 4.635 4.340 0.016 0.000 0.270 541 R C 0.211 176.071 176.300 -0.733 0.000 1.074 541 R CA -0.168 55.633 56.100 -0.500 0.000 1.140 541 R CB 0.576 30.719 30.300 -0.261 0.000 1.073 541 R HN 0.775 nan 8.270 nan 0.000 0.527 542 E N -0.311 118.927 120.200 -1.603 0.000 3.070 542 E HA -0.217 4.142 4.350 0.016 0.000 0.285 542 E C -0.896 175.496 176.600 -0.346 0.000 0.972 542 E CA 0.851 56.766 56.400 -0.808 0.000 0.915 542 E CB -0.764 28.737 29.700 -0.332 0.000 1.466 542 E HN 0.526 nan 8.360 nan 0.000 0.432 543 D N 0.886 121.102 120.400 -0.306 0.000 2.432 543 D HA 0.344 4.994 4.640 0.016 0.000 0.265 543 D C -0.431 175.857 176.300 -0.019 0.000 1.160 543 D CA -0.293 53.641 54.000 -0.110 0.000 0.911 543 D CB 0.225 40.972 40.800 -0.089 0.000 1.052 543 D HN 0.278 nan 8.370 nan 0.000 0.508 544 C N 0.649 119.960 119.300 0.019 0.000 3.318 544 C HA 0.890 5.359 4.460 0.016 0.000 0.329 544 C C 0.625 175.617 174.990 0.004 0.000 1.449 544 C CA -0.667 58.379 59.018 0.046 0.000 1.397 544 C CB 0.755 28.557 27.740 0.104 0.000 1.810 544 C HN 0.516 nan 8.230 nan 0.000 0.449 545 T N -1.195 113.350 114.554 -0.014 0.000 2.856 545 T HA 0.255 4.615 4.350 0.016 0.000 0.306 545 T C 0.643 175.283 174.700 -0.101 0.000 1.062 545 T CA 0.330 62.405 62.100 -0.042 0.000 1.083 545 T CB 0.399 69.256 68.868 -0.017 0.000 0.984 545 T HN 0.816 nan 8.240 nan 0.000 0.542 546 E N 0.883 121.034 120.200 -0.081 0.000 2.106 546 E HA -0.128 4.231 4.350 0.016 0.000 0.192 546 E C 2.081 178.587 176.600 -0.156 0.000 0.984 546 E CA 1.166 57.511 56.400 -0.091 0.000 0.806 546 E CB -0.053 29.614 29.700 -0.055 0.000 0.750 546 E HN 0.780 nan 8.360 nan 0.000 0.458 547 E N 0.906 120.989 120.200 -0.195 0.000 2.077 547 E HA -0.202 4.158 4.350 0.016 0.000 0.193 547 E C 1.944 178.150 176.600 -0.656 0.000 0.989 547 E CA 0.671 56.895 56.400 -0.294 0.000 0.800 547 E CB -0.173 29.460 29.700 -0.112 0.000 0.746 547 E HN 0.101 nan 8.360 nan 0.000 0.452 548 L N 0.279 120.891 121.223 -1.018 0.000 2.042 548 L HA -0.175 4.174 4.340 0.016 0.000 0.210 548 L C 2.020 178.667 176.870 -0.372 0.000 1.076 548 L CA 1.524 55.693 54.840 -1.119 0.000 0.749 548 L CB -0.414 41.211 42.059 -0.724 0.000 0.893 548 L HN 0.027 nan 8.230 nan 0.000 0.432 549 V N -0.277 119.491 119.914 -0.243 0.000 2.307 549 V HA -0.273 3.857 4.120 0.016 0.000 0.245 549 V C 2.608 178.640 176.094 -0.105 0.000 1.045 549 V CA 2.109 64.336 62.300 -0.121 0.000 1.024 549 V CB -0.688 31.086 31.823 -0.081 0.000 0.651 549 V HN 0.451 nan 8.190 nan 0.000 0.449 550 K N -1.149 119.184 120.400 -0.112 0.000 2.002 550 K HA -0.257 4.072 4.320 0.016 0.000 0.209 550 K C 1.999 178.554 176.600 -0.074 0.000 1.048 550 K CA 2.210 58.448 56.287 -0.082 0.000 0.930 550 K CB -0.363 32.094 32.500 -0.071 0.000 0.714 550 K HN 0.621 nan 8.250 nan 0.000 0.438 551 W N 1.346 122.465 121.300 -0.302 0.000 2.358 551 W HA -0.110 4.559 4.660 0.015 0.000 0.303 551 W C 1.956 178.339 176.519 -0.227 0.000 1.208 551 W CA 1.878 59.037 57.345 -0.309 0.000 1.274 551 W CB -0.623 28.583 29.460 -0.423 0.000 1.138 551 W HN 0.093 nan 8.180 nan 0.000 0.515 552 G N 0.662 109.411 108.800 -0.086 0.000 2.442 552 G HA2 -0.300 3.670 3.960 0.016 0.000 0.219 552 G HA3 -0.300 3.670 3.960 0.016 0.000 0.219 552 G C 1.490 176.201 174.900 -0.316 0.000 1.141 552 G CA 1.222 46.162 45.100 -0.267 0.000 0.763 552 G HN 0.318 nan 8.290 nan 0.000 0.554 553 K N -0.208 120.066 120.400 -0.209 0.000 2.097 553 K HA 0.024 4.354 4.320 0.016 0.000 0.205 553 K C 2.760 179.245 176.600 -0.191 0.000 1.050 553 K CA 0.500 56.692 56.287 -0.160 0.000 0.938 553 K CB -0.073 32.365 32.500 -0.103 0.000 0.718 553 K HN 0.027 nan 8.250 nan 0.000 0.442 554 R N 0.630 120.979 120.500 -0.252 0.000 2.081 554 R HA -0.069 4.281 4.340 0.016 0.000 0.235 554 R C 2.294 178.414 176.300 -0.299 0.000 1.131 554 R CA 0.991 56.947 56.100 -0.239 0.000 0.960 554 R CB -0.852 29.302 30.300 -0.244 0.000 0.856 554 R HN 0.066 nan 8.270 nan 0.000 0.436 555 V N 1.231 120.830 119.914 -0.525 0.000 2.427 555 V HA -0.165 3.964 4.120 0.016 0.000 0.248 555 V C 2.523 178.463 176.094 -0.257 0.000 1.051 555 V CA 1.670 63.670 62.300 -0.500 0.000 1.048 555 V CB -0.788 30.467 31.823 -0.947 0.000 0.666 555 V HN 0.300 nan 8.190 nan 0.000 0.456 556 A N 0.155 122.835 122.820 -0.234 0.000 1.902 556 A HA -0.105 4.225 4.320 0.016 0.000 0.217 556 A C 2.445 179.998 177.584 -0.051 0.000 1.181 556 A CA 2.003 53.977 52.037 -0.105 0.000 0.623 556 A CB -0.778 18.178 19.000 -0.072 0.000 0.818 556 A HN 0.550 nan 8.150 nan 0.000 0.443 557 A N -0.076 122.706 122.820 -0.063 0.000 1.908 557 A HA 0.117 4.447 4.320 0.016 0.000 0.218 557 A C 2.513 180.104 177.584 0.011 0.000 1.181 557 A CA 2.253 54.277 52.037 -0.023 0.000 0.627 557 A CB -1.040 17.942 19.000 -0.030 0.000 0.818 557 A HN 1.056 nan 8.150 nan 0.000 0.445 558 A N 0.222 123.049 122.820 0.012 0.000 1.877 558 A HA -0.223 4.107 4.320 0.016 0.000 0.216 558 A C 1.901 179.548 177.584 0.104 0.000 1.186 558 A CA 1.678 53.774 52.037 0.099 0.000 0.620 558 A CB -0.930 18.139 19.000 0.116 0.000 0.822 558 A HN 0.721 nan 8.150 nan 0.000 0.443 559 N N 0.067 118.801 118.700 0.055 0.000 2.205 559 N HA -0.139 4.611 4.740 0.016 0.000 0.186 559 N C 1.531 177.067 175.510 0.044 0.000 1.015 559 N CA 1.405 54.488 53.050 0.055 0.000 0.862 559 N CB -0.090 38.410 38.487 0.021 0.000 0.986 559 N HN 0.634 nan 8.380 nan 0.000 0.429 560 S N 0.670 116.392 115.700 0.037 0.000 2.540 560 S HA 0.066 4.545 4.470 0.016 0.000 0.218 560 S C 0.485 175.105 174.600 0.034 0.000 0.977 560 S CA -0.711 57.510 58.200 0.035 0.000 0.918 560 S CB -0.009 63.217 63.200 0.042 0.000 0.806 560 S HN 0.235 nan 8.310 nan 0.000 0.496 561 R N 2.504 123.029 120.500 0.041 0.000 2.585 561 R HA 0.147 4.497 4.340 0.016 0.000 0.275 561 R C 0.012 176.327 176.300 0.025 0.000 1.018 561 R CA -0.382 55.739 56.100 0.034 0.000 1.072 561 R CB 0.077 30.403 30.300 0.045 0.000 0.953 561 R HN 0.432 nan 8.270 nan 0.000 0.419 562 K N 2.852 123.262 120.400 0.017 0.000 2.230 562 K HA 0.265 4.594 4.320 0.016 0.000 0.253 562 K C -2.128 174.476 176.600 0.007 0.000 1.008 562 K CA -1.394 54.900 56.287 0.011 0.000 0.910 562 K CB -0.105 32.400 32.500 0.008 0.000 0.994 562 K HN 0.377 nan 8.250 nan 0.000 0.495 563 P HA 0.023 nan 4.420 nan 0.000 0.268 563 P C -1.125 176.173 177.300 -0.004 0.000 1.205 563 P CA -0.447 62.653 63.100 -0.001 0.000 0.771 563 P CB 0.690 32.389 31.700 -0.001 0.000 0.858 564 V N 4.059 123.968 119.914 -0.009 0.000 2.289 564 V HA 0.271 4.400 4.120 0.016 0.000 0.272 564 V C -0.147 175.938 176.094 -0.014 0.000 1.026 564 V CA -0.411 61.881 62.300 -0.012 0.000 0.807 564 V CB 0.442 32.255 31.823 -0.017 0.000 1.044 564 V HN 0.540 nan 8.190 nan 0.000 0.443 565 N N 4.219 122.912 118.700 -0.011 0.000 2.342 565 N HA 0.353 5.102 4.740 0.016 0.000 0.293 565 N C 0.126 175.630 175.510 -0.011 0.000 1.026 565 N CA -0.625 52.418 53.050 -0.012 0.000 0.857 565 N CB 2.232 40.714 38.487 -0.010 0.000 1.256 565 N HN 0.757 nan 8.380 nan 0.000 0.484 566 K N 0.000 120.393 120.400 -0.012 0.000 2.780 566 K HA 0.000 4.329 4.320 0.016 0.000 0.191 566 K CA 0.000 56.281 56.287 -0.011 0.000 0.838 566 K CB 0.000 32.494 32.500 -0.011 0.000 1.064 566 K HN 0.000 nan 8.250 nan 0.000 0.543