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 2yqj_1_A DATA FIRST_RESID 3 DATA SEQUENCE VKSQQQIIDS FKQANQDQLF QYYDSLTIDQ QQEFIDQLST IEEPAKLIST DATA SEQUENCE VEQAIXXXXX XXXXRNFTQL PNEQTASTLD LSKDILQNWT ELGLKAIGNG DATA SEQUENCE EVAVLLMAGG QGTRLGSSAP KGCFNIELPS QKSLFQIQAE KILKIEQLAQ DATA SEQUENCE QYLKSTKKPI INWYIMTSGP TRNATESFFI ENNYFGLNSH QVIFFNQGTL DATA SEQUENCE PCFNLQGNKI LLELKNSICQ SPDGNGGLYK ALKDNGILDD LNSKGIKHIH DATA SEQUENCE MYCVDNCLVK VADPIFIGFA IAKKFDLATK VVRKRDANES VGLIVLDQDN DATA SEQUENCE QKPCVIEYSE ISQELANKKD PQDSSKLFLR AANIVNHYYS VEFLNKMIPK DATA SEQUENCE WISSQKYLPF HIAKKKIPSL NLXXGEFYKP TEPNGIKLEQ FIFDVFPSVE DATA SEQUENCE LNKFGCLEVD RLDEFSPLKN ADGAKNDTPT TCRNHYLERS SKWVIQNGGV DATA SEQUENCE IDNQGLVEVD SKTSYGGEGL EFVNGKHFKN GDII VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.107 176.094 0.021 0.000 1.182 3 V CA 0.000 62.313 62.300 0.023 0.000 1.235 3 V CB 0.000 31.837 31.823 0.023 0.000 1.184 4 K N 2.092 122.507 120.400 0.025 0.000 2.098 4 K HA 0.949 5.325 4.320 0.093 0.000 0.258 4 K C 0.679 177.292 176.600 0.022 0.000 0.973 4 K CA 0.021 56.321 56.287 0.021 0.000 0.898 4 K CB 1.456 33.971 32.500 0.025 0.000 1.057 4 K HN 2.513 nan 8.250 nan 0.000 0.447 5 S N -0.163 115.547 115.700 0.016 0.000 2.600 5 S HA -0.010 4.515 4.470 0.093 0.000 0.265 5 S C 1.357 175.967 174.600 0.016 0.000 1.325 5 S CA 0.442 58.652 58.200 0.016 0.000 1.002 5 S CB 0.991 64.197 63.200 0.010 0.000 0.921 5 S HN 0.803 nan 8.310 nan 0.000 0.554 6 Q N 0.092 119.907 119.800 0.024 0.000 2.077 6 Q HA -0.280 4.116 4.340 0.093 0.000 0.206 6 Q C 2.133 178.123 176.000 -0.018 0.000 0.989 6 Q CA 2.091 57.911 55.803 0.028 0.000 0.853 6 Q CB -0.344 28.435 28.738 0.068 0.000 0.907 6 Q HN 0.839 nan 8.270 nan 0.000 0.418 7 Q N 0.286 120.072 119.800 -0.024 0.000 2.124 7 Q HA -0.185 4.211 4.340 0.093 0.000 0.202 7 Q C 1.818 177.776 176.000 -0.069 0.000 0.977 7 Q CA 2.066 57.830 55.803 -0.064 0.000 0.850 7 Q CB -0.016 28.697 28.738 -0.042 0.000 0.901 7 Q HN 0.550 nan 8.270 nan 0.000 0.429 8 Q N -0.732 119.048 119.800 -0.032 0.000 2.119 8 Q HA -0.095 4.301 4.340 0.093 0.000 0.201 8 Q C 1.832 177.831 176.000 -0.001 0.000 0.972 8 Q CA 1.045 56.836 55.803 -0.020 0.000 0.847 8 Q CB -0.019 28.716 28.738 -0.005 0.000 0.903 8 Q HN 0.380 nan 8.270 nan 0.000 0.433 9 I N 0.969 121.553 120.570 0.023 0.000 2.226 9 I HA -0.238 3.988 4.170 0.093 0.000 0.245 9 I C 2.301 178.503 176.117 0.142 0.000 1.100 9 I CA 1.351 62.719 61.300 0.113 0.000 1.374 9 I CB -0.917 37.139 38.000 0.092 0.000 1.057 9 I HN 0.245 nan 8.210 nan 0.000 0.413 10 I N 0.790 121.316 120.570 -0.073 0.000 2.163 10 I HA -0.316 3.909 4.170 0.093 0.000 0.243 10 I C 2.224 178.209 176.117 -0.221 0.000 1.085 10 I CA 1.458 62.554 61.300 -0.339 0.000 1.347 10 I CB -0.549 37.078 38.000 -0.622 0.000 1.044 10 I HN 0.193 nan 8.210 nan 0.000 0.408 11 D N 0.942 121.256 120.400 -0.144 0.000 2.092 11 D HA -0.179 4.517 4.640 0.093 0.000 0.193 11 D C 2.386 178.667 176.300 -0.031 0.000 0.994 11 D CA 2.055 55.999 54.000 -0.094 0.000 0.828 11 D CB -0.472 40.286 40.800 -0.070 0.000 0.963 11 D HN 0.381 nan 8.370 nan 0.000 0.450 12 S N 0.062 115.757 115.700 -0.009 0.000 2.387 12 S HA -0.198 4.328 4.470 0.093 0.000 0.230 12 S C 2.087 176.641 174.600 -0.076 0.000 1.035 12 S CA 0.853 59.021 58.200 -0.054 0.000 1.014 12 S CB -0.932 62.213 63.200 -0.091 0.000 0.836 12 S HN 0.173 nan 8.310 nan 0.000 0.466 13 F N 1.998 121.961 119.950 0.023 0.000 2.325 13 F HA 0.235 4.817 4.527 0.092 0.000 0.299 13 F C 2.540 178.411 175.800 0.118 0.000 1.090 13 F CA 0.769 58.828 58.000 0.099 0.000 1.392 13 F CB -0.121 39.004 39.000 0.208 0.000 1.053 13 F HN 0.147 nan 8.300 nan 0.000 0.521 14 K N -0.142 120.381 120.400 0.205 0.000 2.116 14 K HA -0.124 4.252 4.320 0.093 0.000 0.203 14 K C 1.867 178.505 176.600 0.063 0.000 1.052 14 K CA 1.026 57.385 56.287 0.120 0.000 0.952 14 K CB -0.211 32.286 32.500 -0.004 0.000 0.729 14 K HN 0.326 nan 8.250 nan 0.000 0.446 15 Q N -0.141 119.673 119.800 0.022 0.000 2.364 15 Q HA -0.025 4.370 4.340 0.093 0.000 0.207 15 Q C 1.382 177.383 176.000 0.002 0.000 0.970 15 Q CA 0.895 56.698 55.803 -0.000 0.000 0.888 15 Q CB 0.165 28.889 28.738 -0.023 0.000 0.951 15 Q HN 0.230 nan 8.270 nan 0.000 0.469 16 A N 0.819 123.642 122.820 0.005 0.000 2.337 16 A HA 0.052 4.427 4.320 0.093 0.000 0.227 16 A C -0.052 177.570 177.584 0.064 0.000 1.259 16 A CA -0.294 51.746 52.037 0.005 0.000 0.870 16 A CB 0.098 19.059 19.000 -0.065 0.000 0.927 16 A HN 0.353 nan 8.150 nan 0.000 0.497 17 N N -0.095 118.652 118.700 0.078 0.000 2.754 17 N HA -0.122 4.674 4.740 0.093 0.000 0.248 17 N C -0.576 175.010 175.510 0.126 0.000 1.093 17 N CA 0.816 53.921 53.050 0.092 0.000 0.699 17 N CB -0.864 37.665 38.487 0.070 0.000 1.016 17 N HN 0.572 nan 8.380 nan 0.000 0.552 18 Q N -0.100 119.810 119.800 0.183 0.000 2.341 18 Q HA 0.173 4.569 4.340 0.093 0.000 0.325 18 Q C 0.436 176.566 176.000 0.216 0.000 0.920 18 Q CA -0.111 55.809 55.803 0.196 0.000 1.065 18 Q CB 0.101 29.012 28.738 0.289 0.000 1.218 18 Q HN 0.311 nan 8.270 nan 0.000 0.434 19 D N 1.098 121.617 120.400 0.198 0.000 2.221 19 D HA -0.208 4.488 4.640 0.093 0.000 0.204 19 D C 1.925 178.319 176.300 0.156 0.000 0.982 19 D CA 1.004 55.143 54.000 0.233 0.000 0.857 19 D CB 0.361 41.245 40.800 0.140 0.000 0.934 19 D HN 0.280 nan 8.370 nan 0.000 0.475 20 Q N 0.589 120.430 119.800 0.070 0.000 2.291 20 Q HA -0.156 4.240 4.340 0.093 0.000 0.206 20 Q C 1.733 177.708 176.000 -0.042 0.000 0.976 20 Q CA 0.848 56.658 55.803 0.012 0.000 0.875 20 Q CB -0.446 28.299 28.738 0.013 0.000 0.927 20 Q HN 0.289 nan 8.270 nan 0.000 0.450 21 L N -0.120 121.016 121.223 -0.146 0.000 2.275 21 L HA 0.021 4.417 4.340 0.093 0.000 0.215 21 L C 1.209 177.751 176.870 -0.547 0.000 1.119 21 L CA 1.305 55.911 54.840 -0.390 0.000 0.790 21 L CB -0.537 41.083 42.059 -0.732 0.000 0.919 21 L HN 0.151 nan 8.230 nan 0.000 0.443 22 F N -2.261 117.778 119.950 0.148 0.000 2.668 22 F HA 0.197 4.779 4.527 0.092 0.000 0.301 22 F C 2.013 177.881 175.800 0.114 0.000 1.106 22 F CA -0.211 57.895 58.000 0.175 0.000 1.289 22 F CB -0.347 38.660 39.000 0.012 0.000 1.006 22 F HN 0.053 nan 8.300 nan 0.000 0.535 23 Q N 0.388 120.219 119.800 0.053 0.000 2.077 23 Q HA -0.223 4.173 4.340 0.093 0.000 0.206 23 Q C 0.724 176.584 176.000 -0.233 0.000 0.989 23 Q CA 2.135 57.815 55.803 -0.205 0.000 0.853 23 Q CB -0.101 28.305 28.738 -0.552 0.000 0.907 23 Q HN 0.596 nan 8.270 nan 0.000 0.418 24 Y N -1.792 118.575 120.300 0.112 0.000 2.607 24 Y HA 0.080 4.685 4.550 0.092 0.000 0.266 24 Y C 1.040 177.013 175.900 0.123 0.000 1.178 24 Y CA -0.531 57.617 58.100 0.080 0.000 1.226 24 Y CB -0.151 38.312 38.460 0.004 0.000 1.144 24 Y HN 0.192 nan 8.280 nan 0.000 0.528 25 Y N 1.891 122.331 120.300 0.233 0.000 2.053 25 Y HA -0.309 4.296 4.550 0.093 0.000 0.277 25 Y C 1.749 177.753 175.900 0.172 0.000 1.159 25 Y CA 2.089 60.341 58.100 0.254 0.000 1.125 25 Y CB -0.172 38.528 38.460 0.399 0.000 0.969 25 Y HN 0.123 nan 8.280 nan 0.000 0.492 26 D N -0.812 119.731 120.400 0.238 0.000 2.265 26 D HA -0.152 4.543 4.640 0.093 0.000 0.208 26 D C 2.160 178.476 176.300 0.027 0.000 0.977 26 D CA 1.524 55.588 54.000 0.107 0.000 0.871 26 D CB -0.511 40.373 40.800 0.141 0.000 0.925 26 D HN 0.472 nan 8.370 nan 0.000 0.485 27 S N -0.625 115.104 115.700 0.049 0.000 2.593 27 S HA 0.091 4.616 4.470 0.093 0.000 0.217 27 S C 0.832 175.416 174.600 -0.026 0.000 0.966 27 S CA -0.354 57.862 58.200 0.027 0.000 0.914 27 S CB -0.158 63.086 63.200 0.074 0.000 0.776 27 S HN 0.067 nan 8.310 nan 0.000 0.523 28 L N 2.520 123.694 121.223 -0.082 0.000 2.399 28 L HA 0.419 4.814 4.340 0.093 0.000 0.265 28 L C 1.042 177.838 176.870 -0.123 0.000 1.089 28 L CA -0.809 53.957 54.840 -0.123 0.000 0.802 28 L CB 1.073 43.020 42.059 -0.188 0.000 1.180 28 L HN 0.211 nan 8.230 nan 0.000 0.454 29 T N -2.176 112.320 114.554 -0.097 0.000 2.766 29 T HA 0.206 4.611 4.350 0.093 0.000 0.295 29 T C 1.275 175.924 174.700 -0.086 0.000 1.024 29 T CA -0.421 61.635 62.100 -0.074 0.000 1.018 29 T CB 0.762 69.597 68.868 -0.055 0.000 1.002 29 T HN 0.428 nan 8.240 nan 0.000 0.532 30 I N 0.258 120.794 120.570 -0.056 0.000 2.226 30 I HA -0.119 4.106 4.170 0.093 0.000 0.245 30 I C 2.462 178.566 176.117 -0.022 0.000 1.100 30 I CA 1.748 63.024 61.300 -0.040 0.000 1.374 30 I CB -0.444 37.546 38.000 -0.016 0.000 1.057 30 I HN 0.799 nan 8.210 nan 0.000 0.413 31 D N 0.313 120.702 120.400 -0.019 0.000 2.144 31 D HA -0.199 4.497 4.640 0.093 0.000 0.200 31 D C 2.247 178.547 176.300 -0.001 0.000 0.978 31 D CA 1.253 55.250 54.000 -0.005 0.000 0.833 31 D CB 0.122 40.916 40.800 -0.009 0.000 0.961 31 D HN 0.311 nan 8.370 nan 0.000 0.470 32 Q N -0.427 119.356 119.800 -0.028 0.000 2.079 32 Q HA -0.173 4.223 4.340 0.093 0.000 0.200 32 Q C 2.321 178.333 176.000 0.021 0.000 0.974 32 Q CA 1.108 56.892 55.803 -0.031 0.000 0.840 32 Q CB -0.055 28.633 28.738 -0.084 0.000 0.898 32 Q HN 0.475 nan 8.270 nan 0.000 0.430 33 Q N 0.494 120.277 119.800 -0.029 0.000 2.050 33 Q HA -0.205 4.191 4.340 0.093 0.000 0.202 33 Q C 2.093 178.219 176.000 0.210 0.000 0.980 33 Q CA 1.272 57.092 55.803 0.029 0.000 0.840 33 Q CB -0.081 28.522 28.738 -0.225 0.000 0.898 33 Q HN 0.437 nan 8.270 nan 0.000 0.424 34 Q N 0.130 120.001 119.800 0.119 0.000 2.124 34 Q HA -0.177 4.218 4.340 0.093 0.000 0.202 34 Q C 2.149 178.222 176.000 0.122 0.000 0.977 34 Q CA 1.500 57.373 55.803 0.117 0.000 0.850 34 Q CB -0.031 28.749 28.738 0.069 0.000 0.901 34 Q HN 0.238 nan 8.270 nan 0.000 0.429 35 E N 0.282 120.553 120.200 0.119 0.000 2.107 35 E HA -0.125 4.281 4.350 0.093 0.000 0.191 35 E C 1.417 178.133 176.600 0.192 0.000 0.982 35 E CA 0.563 57.032 56.400 0.114 0.000 0.809 35 E CB -0.327 29.417 29.700 0.073 0.000 0.756 35 E HN 0.567 nan 8.360 nan 0.000 0.459 36 F N 0.430 120.405 119.950 0.042 0.000 2.113 36 F HA -0.132 4.450 4.527 0.092 0.000 0.297 36 F C 2.052 177.882 175.800 0.050 0.000 1.103 36 F CA 1.347 59.374 58.000 0.045 0.000 1.248 36 F CB 0.034 39.100 39.000 0.110 0.000 0.999 36 F HN 0.180 nan 8.300 nan 0.000 0.475 37 I N 0.603 121.241 120.570 0.113 0.000 2.226 37 I HA -0.275 3.951 4.170 0.093 0.000 0.245 37 I C 1.888 177.995 176.117 -0.017 0.000 1.100 37 I CA 1.331 62.611 61.300 -0.033 0.000 1.374 37 I CB -1.559 36.485 38.000 0.072 0.000 1.057 37 I HN 0.161 nan 8.210 nan 0.000 0.413 38 D N 0.547 120.974 120.400 0.045 0.000 2.104 38 D HA -0.238 4.458 4.640 0.093 0.000 0.194 38 D C 2.182 178.499 176.300 0.028 0.000 0.994 38 D CA 1.207 55.232 54.000 0.041 0.000 0.830 38 D CB -0.245 40.587 40.800 0.054 0.000 0.959 38 D HN 0.443 nan 8.370 nan 0.000 0.452 39 Q N -0.228 119.593 119.800 0.035 0.000 2.050 39 Q HA -0.158 4.238 4.340 0.093 0.000 0.202 39 Q C 1.927 177.909 176.000 -0.030 0.000 0.980 39 Q CA 0.898 56.718 55.803 0.029 0.000 0.840 39 Q CB -0.076 28.715 28.738 0.088 0.000 0.898 39 Q HN 0.133 nan 8.270 nan 0.000 0.424 40 L N 0.975 122.103 121.223 -0.158 0.000 2.131 40 L HA -0.126 4.269 4.340 0.093 0.000 0.210 40 L C 2.551 179.441 176.870 0.034 0.000 1.092 40 L CA 2.020 56.703 54.840 -0.262 0.000 0.759 40 L CB -0.980 40.669 42.059 -0.682 0.000 0.903 40 L HN 0.381 nan 8.230 nan 0.000 0.435 41 S N -2.159 113.566 115.700 0.042 0.000 2.515 41 S HA -0.116 4.410 4.470 0.093 0.000 0.231 41 S C 1.837 176.495 174.600 0.098 0.000 0.987 41 S CA 0.989 59.249 58.200 0.099 0.000 0.936 41 S CB -0.800 62.439 63.200 0.064 0.000 0.766 41 S HN 0.588 nan 8.310 nan 0.000 0.528 42 T N -0.397 114.208 114.554 0.085 0.000 3.088 42 T HA 0.313 4.719 4.350 0.093 0.000 0.259 42 T C 0.621 175.383 174.700 0.104 0.000 1.122 42 T CA -0.131 62.017 62.100 0.081 0.000 1.095 42 T CB -0.691 68.216 68.868 0.064 0.000 0.930 42 T HN 0.462 nan 8.240 nan 0.000 0.508 43 I N 2.677 123.337 120.570 0.151 0.000 2.294 43 I HA 0.387 4.613 4.170 0.093 0.000 0.295 43 I C 0.825 177.021 176.117 0.132 0.000 1.098 43 I CA -0.466 60.938 61.300 0.175 0.000 1.277 43 I CB 0.122 38.297 38.000 0.293 0.000 1.434 43 I HN 0.332 nan 8.210 nan 0.000 0.498 44 E N 5.948 126.205 120.200 0.095 0.000 2.324 44 E HA 0.121 4.527 4.350 0.093 0.000 0.271 44 E C 0.315 176.934 176.600 0.031 0.000 1.028 44 E CA -0.485 55.951 56.400 0.059 0.000 0.890 44 E CB -0.047 29.691 29.700 0.063 0.000 1.004 44 E HN 0.725 nan 8.360 nan 0.000 0.431 45 E N 2.072 122.262 120.200 -0.016 0.000 2.452 45 E HA -0.185 4.220 4.350 0.093 0.000 0.155 45 E C -1.535 175.020 176.600 -0.076 0.000 1.746 45 E CA 0.307 56.674 56.400 -0.054 0.000 0.636 45 E CB -0.663 29.025 29.700 -0.020 0.000 1.069 45 E HN 0.652 nan 8.360 nan 0.000 0.335 46 P HA -0.290 nan 4.420 nan 0.000 0.215 46 P C 1.363 178.594 177.300 -0.114 0.000 1.157 46 P CA 1.935 64.885 63.100 -0.251 0.000 0.868 46 P CB 0.115 31.293 31.700 -0.871 0.000 0.788 47 A N 0.696 123.433 122.820 -0.138 0.000 1.908 47 A HA -0.209 4.166 4.320 0.093 0.000 0.218 47 A C 2.582 180.154 177.584 -0.019 0.000 1.181 47 A CA 3.274 55.275 52.037 -0.060 0.000 0.627 47 A CB -1.676 17.284 19.000 -0.067 0.000 0.818 47 A HN 0.296 nan 8.150 nan 0.000 0.445 48 K N -0.384 120.001 120.400 -0.025 0.000 1.985 48 K HA -0.055 4.321 4.320 0.093 0.000 0.210 48 K C 2.044 178.655 176.600 0.018 0.000 1.047 48 K CA 1.804 58.084 56.287 -0.013 0.000 0.932 48 K CB -1.498 30.993 32.500 -0.016 0.000 0.716 48 K HN 0.662 nan 8.250 nan 0.000 0.439 49 L N 0.622 121.885 121.223 0.067 0.000 2.051 49 L HA -0.110 4.285 4.340 0.093 0.000 0.214 49 L C 2.366 179.341 176.870 0.175 0.000 1.076 49 L CA 1.928 56.872 54.840 0.173 0.000 0.758 49 L CB -0.336 41.864 42.059 0.235 0.000 0.890 49 L HN 0.488 nan 8.230 nan 0.000 0.433 50 I N -0.704 119.959 120.570 0.155 0.000 2.546 50 I HA -0.179 4.046 4.170 0.093 0.000 0.255 50 I C 2.680 178.820 176.117 0.037 0.000 1.163 50 I CA 0.967 62.360 61.300 0.155 0.000 1.457 50 I CB -0.714 37.407 38.000 0.202 0.000 1.092 50 I HN 0.512 nan 8.210 nan 0.000 0.434 51 S N 0.689 116.398 115.700 0.015 0.000 2.362 51 S HA -0.153 4.372 4.470 0.093 0.000 0.221 51 S C 2.112 176.677 174.600 -0.059 0.000 1.032 51 S CA 2.001 60.187 58.200 -0.023 0.000 0.973 51 S CB -0.718 62.464 63.200 -0.029 0.000 0.849 51 S HN 0.248 nan 8.310 nan 0.000 0.465 52 T N 1.760 116.271 114.554 -0.071 0.000 2.699 52 T HA -0.097 4.309 4.350 0.093 0.000 0.268 52 T C 1.923 176.544 174.700 -0.131 0.000 1.036 52 T CA 1.628 63.629 62.100 -0.165 0.000 1.147 52 T CB -0.416 68.285 68.868 -0.278 0.000 0.862 52 T HN 0.258 nan 8.240 nan 0.000 0.446 53 V N 1.393 121.282 119.914 -0.042 0.000 2.626 53 V HA -0.084 4.092 4.120 0.093 0.000 0.252 53 V C 2.960 178.970 176.094 -0.140 0.000 1.067 53 V CA 2.096 64.337 62.300 -0.099 0.000 1.081 53 V CB -1.231 30.317 31.823 -0.458 0.000 0.686 53 V HN 0.710 nan 8.190 nan 0.000 0.468 54 E N 0.023 120.158 120.200 -0.108 0.000 2.047 54 E HA -0.286 4.120 4.350 0.093 0.000 0.191 54 E C 2.281 178.833 176.600 -0.080 0.000 0.987 54 E CA 2.048 58.399 56.400 -0.081 0.000 0.799 54 E CB -1.064 28.605 29.700 -0.052 0.000 0.752 54 E HN 0.725 nan 8.360 nan 0.000 0.449 55 Q N -0.085 119.659 119.800 -0.093 0.000 2.112 55 Q HA 0.090 4.486 4.340 0.093 0.000 0.206 55 Q C 2.710 178.646 176.000 -0.105 0.000 0.987 55 Q CA 3.032 58.774 55.803 -0.102 0.000 0.858 55 Q CB -1.113 27.545 28.738 -0.134 0.000 0.905 55 Q HN 1.119 nan 8.270 nan 0.000 0.420 56 A N -0.104 122.648 122.820 -0.113 0.000 1.930 56 A HA 0.381 4.757 4.320 0.093 0.000 0.217 56 A C 1.712 179.247 177.584 -0.081 0.000 1.175 56 A CA 1.554 53.527 52.037 -0.106 0.000 0.627 56 A CB -0.950 18.003 19.000 -0.077 0.000 0.815 56 A HN 1.337 nan 8.150 nan 0.000 0.443 68 N N 3.807 122.150 118.700 -0.595 0.000 2.531 68 N HA 0.434 5.230 4.740 0.093 0.000 0.268 68 N C -0.864 174.464 175.510 -0.304 0.000 1.023 68 N CA -0.181 52.660 53.050 -0.348 0.000 0.896 68 N CB 1.486 39.886 38.487 -0.146 0.000 1.233 68 N HN 0.288 nan 8.380 nan 0.000 0.512 69 F N -0.061 119.943 119.950 0.089 0.000 2.556 69 F HA 0.579 5.160 4.527 0.089 0.000 0.327 69 F C 1.025 176.919 175.800 0.157 0.000 1.059 69 F CA -0.730 57.322 58.000 0.086 0.000 0.953 69 F CB 2.546 41.582 39.000 0.060 0.000 1.227 69 F HN 0.098 nan 8.300 nan 0.000 0.478 70 T N 0.063 114.801 114.554 0.307 0.000 2.754 70 T HA 0.279 4.685 4.350 0.093 0.000 0.296 70 T C -1.396 173.275 174.700 -0.048 0.000 1.205 70 T CA -0.673 61.552 62.100 0.209 0.000 1.009 70 T CB 1.678 70.684 68.868 0.230 0.000 1.368 70 T HN 0.562 nan 8.240 nan 0.000 0.509 71 Q N 1.305 121.012 119.800 -0.155 0.000 2.299 71 Q HA 0.504 4.899 4.340 0.093 0.000 0.246 71 Q C -0.187 175.786 176.000 -0.045 0.000 0.935 71 Q CA -0.446 55.248 55.803 -0.181 0.000 0.887 71 Q CB 0.890 29.498 28.738 -0.218 0.000 1.223 71 Q HN 0.493 nan 8.270 nan 0.000 0.439 72 L N 4.031 125.234 121.223 -0.032 0.000 2.529 72 L HA 0.053 4.448 4.340 0.093 0.000 0.287 72 L C -1.695 175.198 176.870 0.040 0.000 1.241 72 L CA -1.270 53.582 54.840 0.020 0.000 0.857 72 L CB -0.220 41.875 42.059 0.061 0.000 1.113 72 L HN 0.426 nan 8.230 nan 0.000 0.504 73 P HA -0.017 nan 4.420 nan 0.000 0.269 73 P C -0.115 177.228 177.300 0.072 0.000 1.209 73 P CA -0.168 62.969 63.100 0.062 0.000 0.776 73 P CB 0.588 32.326 31.700 0.063 0.000 0.876 74 N N 1.170 119.911 118.700 0.069 0.000 2.272 74 N HA -0.210 4.585 4.740 0.093 0.000 0.185 74 N C 1.782 177.351 175.510 0.099 0.000 1.014 74 N CA 1.446 54.542 53.050 0.076 0.000 0.870 74 N CB -0.238 38.288 38.487 0.065 0.000 0.975 74 N HN 0.388 nan 8.380 nan 0.000 0.433 75 E N -0.533 119.726 120.200 0.099 0.000 2.204 75 E HA -0.098 4.308 4.350 0.093 0.000 0.195 75 E C 1.199 177.895 176.600 0.160 0.000 0.990 75 E CA 1.115 57.586 56.400 0.118 0.000 0.821 75 E CB -0.276 29.483 29.700 0.098 0.000 0.750 75 E HN 0.529 nan 8.360 nan 0.000 0.477 76 Q N 0.127 120.014 119.800 0.144 0.000 2.319 76 Q HA 0.163 4.558 4.340 0.093 0.000 0.202 76 Q C 0.965 177.060 176.000 0.159 0.000 0.896 76 Q CA 0.820 56.706 55.803 0.138 0.000 0.942 76 Q CB 0.576 29.391 28.738 0.129 0.000 1.083 76 Q HN 0.646 nan 8.270 nan 0.000 0.510 77 T N -2.082 112.575 114.554 0.172 0.000 2.945 77 T HA 0.861 5.266 4.350 0.093 0.000 0.286 77 T C -0.392 174.423 174.700 0.192 0.000 1.025 77 T CA -0.609 61.585 62.100 0.157 0.000 1.039 77 T CB 2.371 71.293 68.868 0.090 0.000 1.068 77 T HN 0.084 nan 8.240 nan 0.000 0.497 78 A N 0.835 123.726 122.820 0.118 0.000 2.612 78 A HA 0.808 5.184 4.320 0.093 0.000 0.293 78 A C -0.613 176.953 177.584 -0.029 0.000 1.075 78 A CA -0.804 51.289 52.037 0.093 0.000 0.680 78 A CB 1.563 20.672 19.000 0.181 0.000 1.279 78 A HN 1.292 nan 8.150 nan 0.000 0.411 79 S N -0.324 115.368 115.700 -0.014 0.000 2.619 79 S HA 0.494 5.019 4.470 0.093 0.000 0.280 79 S C 0.891 175.462 174.600 -0.048 0.000 1.150 79 S CA 0.394 58.565 58.200 -0.048 0.000 0.978 79 S CB 1.149 64.329 63.200 -0.033 0.000 1.041 79 S HN 1.745 nan 8.310 nan 0.000 0.485 80 T N 2.988 117.506 114.554 -0.060 0.000 3.051 80 T HA -0.015 4.390 4.350 0.093 0.000 0.269 80 T C 1.343 176.011 174.700 -0.053 0.000 1.127 80 T CA 0.972 63.041 62.100 -0.052 0.000 1.107 80 T CB -0.451 68.391 68.868 -0.043 0.000 0.898 80 T HN 0.487 nan 8.240 nan 0.000 0.517 81 L N 0.731 121.925 121.223 -0.047 0.000 2.558 81 L HA 0.274 4.670 4.340 0.093 0.000 0.225 81 L C 1.667 178.512 176.870 -0.041 0.000 1.128 81 L CA 0.815 55.631 54.840 -0.040 0.000 0.868 81 L CB -0.024 42.014 42.059 -0.034 0.000 1.006 81 L HN 0.157 nan 8.230 nan 0.000 0.454 82 D N -1.333 119.039 120.400 -0.046 0.000 2.482 82 D HA 0.200 4.895 4.640 0.093 0.000 0.251 82 D C 0.847 177.108 176.300 -0.066 0.000 1.073 82 D CA 0.066 54.039 54.000 -0.044 0.000 0.892 82 D CB 0.460 41.243 40.800 -0.028 0.000 1.202 82 D HN 0.107 nan 8.370 nan 0.000 0.496 83 L N 2.225 123.392 121.223 -0.094 0.000 2.483 83 L HA 0.068 4.464 4.340 0.093 0.000 0.276 83 L C 1.157 177.934 176.870 -0.156 0.000 1.213 83 L CA -0.225 54.522 54.840 -0.155 0.000 0.843 83 L CB 0.325 42.229 42.059 -0.258 0.000 1.107 83 L HN -0.030 nan 8.230 nan 0.000 0.487 84 S N 1.281 116.881 115.700 -0.167 0.000 2.584 84 S HA 0.213 4.738 4.470 0.093 0.000 0.270 84 S C 1.182 175.683 174.600 -0.165 0.000 1.346 84 S CA -0.140 57.975 58.200 -0.141 0.000 1.018 84 S CB 1.351 64.475 63.200 -0.126 0.000 0.899 84 S HN 0.668 nan 8.310 nan 0.000 0.542 85 K N 1.047 121.372 120.400 -0.125 0.000 2.103 85 K HA -0.165 4.211 4.320 0.093 0.000 0.207 85 K C 1.505 178.018 176.600 -0.144 0.000 1.048 85 K CA 2.148 58.362 56.287 -0.122 0.000 0.930 85 K CB -1.488 30.959 32.500 -0.088 0.000 0.716 85 K HN 0.810 nan 8.250 nan 0.000 0.444 86 D N 0.139 120.453 120.400 -0.143 0.000 2.117 86 D HA -0.021 4.675 4.640 0.093 0.000 0.198 86 D C 1.953 178.121 176.300 -0.220 0.000 0.982 86 D CA 1.163 55.076 54.000 -0.146 0.000 0.828 86 D CB -0.066 40.665 40.800 -0.114 0.000 0.967 86 D HN 0.520 nan 8.370 nan 0.000 0.464 87 I N 0.732 121.116 120.570 -0.310 0.000 2.163 87 I HA -0.225 4.001 4.170 0.093 0.000 0.240 87 I C 2.491 178.175 176.117 -0.721 0.000 1.081 87 I CA 0.655 61.630 61.300 -0.543 0.000 1.353 87 I CB -0.163 37.466 38.000 -0.618 0.000 1.054 87 I HN -0.044 nan 8.210 nan 0.000 0.407 88 L N 0.133 121.038 121.223 -0.531 0.000 2.042 88 L HA -0.266 4.129 4.340 0.093 0.000 0.210 88 L C 2.666 179.430 176.870 -0.176 0.000 1.076 88 L CA 1.284 55.924 54.840 -0.334 0.000 0.749 88 L CB -0.567 41.374 42.059 -0.196 0.000 0.893 88 L HN 0.311 nan 8.230 nan 0.000 0.432 89 Q N 0.612 120.307 119.800 -0.175 0.000 2.119 89 Q HA -0.216 4.180 4.340 0.093 0.000 0.201 89 Q C 1.828 177.765 176.000 -0.105 0.000 0.972 89 Q CA 2.007 57.737 55.803 -0.122 0.000 0.847 89 Q CB -0.300 28.374 28.738 -0.107 0.000 0.903 89 Q HN 0.416 nan 8.270 nan 0.000 0.433 90 N N -0.998 117.626 118.700 -0.127 0.000 2.120 90 N HA -0.145 4.650 4.740 0.093 0.000 0.188 90 N C 1.105 176.668 175.510 0.089 0.000 1.024 90 N CA 1.608 54.628 53.050 -0.050 0.000 0.852 90 N CB -0.275 38.170 38.487 -0.071 0.000 1.003 90 N HN 0.277 nan 8.380 nan 0.000 0.424 91 W N 0.844 122.098 121.300 -0.075 0.000 2.388 91 W HA 0.051 4.767 4.660 0.093 0.000 0.294 91 W C 2.301 178.752 176.519 -0.112 0.000 1.212 91 W CA 1.015 58.315 57.345 -0.074 0.000 1.271 91 W CB -1.347 28.098 29.460 -0.026 0.000 1.126 91 W HN 0.055 nan 8.180 nan 0.000 0.535 92 T N 0.448 115.055 114.554 0.088 0.000 2.684 92 T HA -0.229 4.176 4.350 0.093 0.000 0.267 92 T C 1.519 176.108 174.700 -0.184 0.000 1.036 92 T CA 2.064 64.130 62.100 -0.056 0.000 1.148 92 T CB -0.243 68.562 68.868 -0.105 0.000 0.863 92 T HN 0.219 nan 8.240 nan 0.000 0.436 93 E N 0.522 120.580 120.200 -0.237 0.000 2.072 93 E HA -0.008 4.397 4.350 0.093 0.000 0.191 93 E C 2.262 178.732 176.600 -0.217 0.000 0.985 93 E CA 0.675 56.801 56.400 -0.457 0.000 0.801 93 E CB -0.251 29.238 29.700 -0.351 0.000 0.750 93 E HN 0.393 nan 8.360 nan 0.000 0.452 94 L N 0.196 121.380 121.223 -0.065 0.000 2.042 94 L HA -0.154 4.241 4.340 0.093 0.000 0.210 94 L C 2.517 179.343 176.870 -0.073 0.000 1.076 94 L CA 1.310 56.131 54.840 -0.032 0.000 0.749 94 L CB -0.608 41.436 42.059 -0.024 0.000 0.893 94 L HN 0.269 nan 8.230 nan 0.000 0.432 95 G N -0.307 108.435 108.800 -0.096 0.000 2.403 95 G HA2 -0.153 3.862 3.960 0.093 0.000 0.216 95 G HA3 -0.153 3.862 3.960 0.093 0.000 0.216 95 G C 1.608 176.464 174.900 -0.073 0.000 1.154 95 G CA 0.258 45.297 45.100 -0.100 0.000 0.784 95 G HN 0.225 nan 8.290 nan 0.000 0.538 96 L N 0.070 121.218 121.223 -0.125 0.000 2.141 96 L HA 0.022 4.418 4.340 0.093 0.000 0.209 96 L C 2.743 179.653 176.870 0.066 0.000 1.094 96 L CA 1.191 55.978 54.840 -0.089 0.000 0.763 96 L CB -0.240 41.666 42.059 -0.255 0.000 0.908 96 L HN 0.229 nan 8.230 nan 0.000 0.437 97 K N 0.653 121.111 120.400 0.097 0.000 2.025 97 K HA -0.145 4.231 4.320 0.093 0.000 0.207 97 K C 2.206 178.875 176.600 0.115 0.000 1.049 97 K CA 1.227 57.624 56.287 0.185 0.000 0.933 97 K CB -0.062 32.557 32.500 0.199 0.000 0.714 97 K HN 0.213 nan 8.250 nan 0.000 0.438 98 A N 1.494 124.362 122.820 0.080 0.000 1.883 98 A HA -0.151 4.225 4.320 0.093 0.000 0.217 98 A C 2.105 179.767 177.584 0.130 0.000 1.186 98 A CA 1.589 53.699 52.037 0.120 0.000 0.624 98 A CB -0.632 18.415 19.000 0.078 0.000 0.822 98 A HN 0.362 nan 8.150 nan 0.000 0.444 99 I N -0.361 120.265 120.570 0.093 0.000 2.179 99 I HA -0.210 4.016 4.170 0.093 0.000 0.242 99 I C 2.663 178.831 176.117 0.085 0.000 1.088 99 I CA 1.246 62.599 61.300 0.088 0.000 1.357 99 I CB -0.648 37.381 38.000 0.048 0.000 1.051 99 I HN 0.402 nan 8.210 nan 0.000 0.409 100 G N 0.545 109.398 108.800 0.087 0.000 2.498 100 G HA2 -0.191 3.824 3.960 0.093 0.000 0.219 100 G HA3 -0.191 3.824 3.960 0.093 0.000 0.219 100 G C 1.247 176.190 174.900 0.072 0.000 1.119 100 G CA 0.501 45.650 45.100 0.082 0.000 0.766 100 G HN 0.332 nan 8.290 nan 0.000 0.552 101 N N 0.551 119.300 118.700 0.082 0.000 2.270 101 N HA 0.100 4.895 4.740 0.093 0.000 0.198 101 N C 1.517 177.072 175.510 0.074 0.000 1.117 101 N CA 0.719 53.813 53.050 0.072 0.000 0.845 101 N CB 0.434 38.968 38.487 0.077 0.000 0.980 101 N HN 0.330 nan 8.380 nan 0.000 0.486 102 G N 1.502 110.351 108.800 0.082 0.000 2.221 102 G HA2 -0.286 3.729 3.960 0.093 0.000 0.265 102 G HA3 -0.286 3.729 3.960 0.093 0.000 0.265 102 G C 0.498 175.456 174.900 0.097 0.000 1.041 102 G CA 0.257 45.408 45.100 0.084 0.000 0.807 102 G HN 0.452 nan 8.290 nan 0.000 0.502 103 E N -1.331 118.944 120.200 0.126 0.000 2.481 103 E HA 0.280 4.686 4.350 0.093 0.000 0.198 103 E C 0.531 177.253 176.600 0.203 0.000 1.027 103 E CA 0.057 56.541 56.400 0.139 0.000 0.900 103 E CB 1.008 30.811 29.700 0.171 0.000 0.993 103 E HN 0.364 nan 8.360 nan 0.000 0.482 104 V N 1.341 121.383 119.914 0.212 0.000 2.459 104 V HA 0.659 4.835 4.120 0.093 0.000 0.295 104 V C -0.174 176.057 176.094 0.228 0.000 1.029 104 V CA -0.742 61.707 62.300 0.249 0.000 0.874 104 V CB 1.448 33.408 31.823 0.229 0.000 0.985 104 V HN 0.116 nan 8.190 nan 0.000 0.438 105 A N 4.176 127.158 122.820 0.270 0.000 2.423 105 A HA 0.962 5.337 4.320 0.093 0.000 0.304 105 A C -1.213 176.588 177.584 0.361 0.000 1.104 105 A CA -0.658 51.569 52.037 0.316 0.000 0.757 105 A CB 2.171 21.408 19.000 0.396 0.000 1.313 105 A HN 0.632 nan 8.150 nan 0.000 0.423 106 V N 1.270 121.428 119.914 0.407 0.000 2.588 106 V HA 0.433 4.608 4.120 0.093 0.000 0.304 106 V C -0.727 175.689 176.094 0.538 0.000 1.042 106 V CA -0.293 62.271 62.300 0.440 0.000 0.877 106 V CB 1.604 33.642 31.823 0.358 0.000 0.996 106 V HN 0.736 nan 8.190 nan 0.000 0.425 107 L N 5.284 126.767 121.223 0.434 0.000 2.294 107 L HA 0.526 4.921 4.340 0.093 0.000 0.283 107 L C -0.806 176.180 176.870 0.193 0.000 1.015 107 L CA -0.596 54.459 54.840 0.359 0.000 0.831 107 L CB 1.540 43.750 42.059 0.251 0.000 1.217 107 L HN 0.495 nan 8.230 nan 0.000 0.420 108 L N 5.113 126.429 121.223 0.155 0.000 2.275 108 L HA 0.475 4.871 4.340 0.093 0.000 0.288 108 L C -0.349 176.455 176.870 -0.110 0.000 1.046 108 L CA 0.031 54.777 54.840 -0.157 0.000 0.805 108 L CB 1.335 43.423 42.059 0.048 0.000 1.193 108 L HN 0.521 nan 8.230 nan 0.000 0.426 109 M N 6.086 125.589 119.600 -0.161 0.000 2.094 109 M HA 0.451 4.987 4.480 0.093 0.000 0.348 109 M C 0.245 176.509 176.300 -0.061 0.000 1.267 109 M CA -0.031 55.215 55.300 -0.091 0.000 1.125 109 M CB 1.180 33.749 32.600 -0.051 0.000 1.527 109 M HN 0.797 nan 8.290 nan 0.000 0.447 110 A N 2.525 125.321 122.820 -0.040 0.000 2.674 110 A HA 0.536 4.911 4.320 0.093 0.000 0.286 110 A C 1.107 178.694 177.584 0.005 0.000 0.980 110 A CA -0.428 51.628 52.037 0.031 0.000 1.028 110 A CB -0.185 18.924 19.000 0.182 0.000 1.199 110 A HN 0.933 nan 8.150 nan 0.000 0.499 111 G N -0.377 108.399 108.800 -0.041 0.000 3.088 111 G HA2 0.397 4.413 3.960 0.093 0.000 0.217 111 G HA3 0.397 4.413 3.960 0.093 0.000 0.217 111 G C 0.753 175.640 174.900 -0.022 0.000 1.159 111 G CA 0.577 45.649 45.100 -0.046 0.000 0.760 111 G HN 0.750 nan 8.290 nan 0.000 0.550 112 G N -1.548 107.244 108.800 -0.014 0.000 2.539 112 G HA2 0.431 4.447 3.960 0.093 0.000 0.258 112 G HA3 0.431 4.447 3.960 0.093 0.000 0.258 112 G C 0.690 175.586 174.900 -0.007 0.000 1.202 112 G CA 0.628 45.724 45.100 -0.007 0.000 0.851 112 G HN 0.428 nan 8.290 nan 0.000 0.556 113 Q N -0.213 119.584 119.800 -0.006 0.000 2.402 113 Q HA 0.380 4.775 4.340 0.093 0.000 0.206 113 Q C 1.853 177.842 176.000 -0.018 0.000 0.919 113 Q CA 1.220 57.019 55.803 -0.008 0.000 0.923 113 Q CB -0.348 28.388 28.738 -0.003 0.000 1.048 113 Q HN 2.507 nan 8.270 nan 0.000 0.515 114 G N 1.352 110.138 108.800 -0.023 0.000 2.371 114 G HA2 -0.288 3.728 3.960 0.093 0.000 0.299 114 G HA3 -0.288 3.728 3.960 0.093 0.000 0.299 114 G C 1.064 175.939 174.900 -0.041 0.000 1.014 114 G CA 1.207 46.281 45.100 -0.043 0.000 1.097 114 G HN 1.264 nan 8.290 nan 0.000 0.512 115 T N -1.989 112.551 114.554 -0.022 0.000 2.720 115 T HA -0.178 4.228 4.350 0.093 0.000 0.268 115 T C 2.135 176.817 174.700 -0.029 0.000 1.037 115 T CA 1.579 63.668 62.100 -0.018 0.000 1.144 115 T CB -0.191 68.674 68.868 -0.005 0.000 0.864 115 T HN 0.557 nan 8.240 nan 0.000 0.444 116 R N 0.223 120.703 120.500 -0.034 0.000 2.241 116 R HA 0.143 4.539 4.340 0.093 0.000 0.224 116 R C 2.069 178.323 176.300 -0.076 0.000 1.101 116 R CA 0.769 56.842 56.100 -0.046 0.000 0.995 116 R CB -0.369 29.904 30.300 -0.045 0.000 0.870 116 R HN 0.337 nan 8.270 nan 0.000 0.463 117 L N -0.288 120.876 121.223 -0.097 0.000 2.529 117 L HA 0.276 4.671 4.340 0.093 0.000 0.223 117 L C 0.422 177.237 176.870 -0.092 0.000 1.113 117 L CA 0.745 55.497 54.840 -0.148 0.000 0.861 117 L CB 0.127 42.045 42.059 -0.234 0.000 1.012 117 L HN 0.199 nan 8.230 nan 0.000 0.461 118 G N 0.667 109.438 108.800 -0.048 0.000 2.296 118 G HA2 0.025 4.040 3.960 0.093 0.000 0.263 118 G HA3 0.025 4.040 3.960 0.093 0.000 0.263 118 G C 0.075 174.986 174.900 0.017 0.000 0.887 118 G CA 0.693 45.785 45.100 -0.014 0.000 1.318 118 G HN 0.964 nan 8.290 nan 0.000 0.403 119 S N -0.164 115.551 115.700 0.025 0.000 2.535 119 S HA 0.810 5.336 4.470 0.093 0.000 0.272 119 S C 0.767 175.386 174.600 0.032 0.000 1.149 119 S CA 0.594 58.831 58.200 0.062 0.000 0.888 119 S CB 1.175 64.461 63.200 0.143 0.000 1.110 119 S HN 0.806 nan 8.310 nan 0.000 0.463 120 S N 0.758 116.472 115.700 0.024 0.000 2.395 120 S HA 0.322 4.847 4.470 0.093 0.000 0.225 120 S C 1.308 175.911 174.600 0.004 0.000 1.027 120 S CA 1.033 59.238 58.200 0.009 0.000 0.965 120 S CB -0.216 62.985 63.200 0.003 0.000 0.812 120 S HN 1.242 nan 8.310 nan 0.000 0.482 121 A N 2.653 125.474 122.820 0.002 0.000 2.346 121 A HA 0.475 4.850 4.320 0.093 0.000 0.252 121 A C -2.360 175.218 177.584 -0.010 0.000 1.089 121 A CA -1.254 50.773 52.037 -0.017 0.000 0.797 121 A CB -0.398 18.567 19.000 -0.059 0.000 1.047 121 A HN 0.181 nan 8.150 nan 0.000 0.494 122 P HA 0.120 nan 4.420 nan 0.000 0.271 122 P C 0.222 177.485 177.300 -0.061 0.000 1.216 122 P CA -0.197 62.909 63.100 0.011 0.000 0.771 122 P CB 0.878 32.648 31.700 0.117 0.000 0.864 123 K N 3.143 123.497 120.400 -0.077 0.000 2.144 123 K HA -0.208 4.168 4.320 0.093 0.000 0.209 123 K C 2.066 178.500 176.600 -0.277 0.000 1.047 123 K CA 2.355 58.569 56.287 -0.121 0.000 0.927 123 K CB -1.050 31.375 32.500 -0.125 0.000 0.716 123 K HN 0.634 nan 8.250 nan 0.000 0.454 124 G N -0.232 108.174 108.800 -0.658 0.000 2.448 124 G HA2 -0.243 3.773 3.960 0.093 0.000 0.219 124 G HA3 -0.243 3.773 3.960 0.093 0.000 0.219 124 G C 1.383 175.708 174.900 -0.959 0.000 1.127 124 G CA 0.968 45.166 45.100 -1.503 0.000 0.766 124 G HN 0.471 nan 8.290 nan 0.000 0.552 125 C N -0.292 118.670 119.300 -0.563 0.000 2.491 125 C HA 0.299 4.814 4.460 0.093 0.000 0.277 125 C C 1.130 175.937 174.990 -0.305 0.000 1.455 125 C CA -1.337 57.335 59.018 -0.577 0.000 1.758 125 C CB -1.645 25.668 27.740 -0.711 0.000 1.745 125 C HN 0.328 nan 8.230 nan 0.000 0.558 126 F N 2.773 122.550 119.950 -0.289 0.000 2.572 126 F HA 0.157 4.740 4.527 0.093 0.000 0.370 126 F C 0.512 176.230 175.800 -0.136 0.000 1.103 126 F CA 0.345 58.234 58.000 -0.184 0.000 1.286 126 F CB 0.241 39.139 39.000 -0.171 0.000 1.105 126 F HN 0.142 nan 8.300 nan 0.000 0.583 127 N N 6.645 124.946 118.700 -0.664 0.000 2.501 127 N HA 0.150 4.945 4.740 0.093 0.000 0.245 127 N C 0.368 175.760 175.510 -0.197 0.000 0.974 127 N CA -0.620 52.234 53.050 -0.327 0.000 0.941 127 N CB 0.373 38.673 38.487 -0.312 0.000 1.122 127 N HN 0.625 nan 8.380 nan 0.000 0.507 128 I N -0.531 120.059 120.570 0.034 0.000 3.605 128 I HA 0.187 4.412 4.170 0.093 0.000 0.301 128 I C -0.408 175.692 176.117 -0.028 0.000 1.267 128 I CA 0.095 61.447 61.300 0.086 0.000 1.236 128 I CB -0.640 37.374 38.000 0.023 0.000 1.010 128 I HN 0.516 nan 8.210 nan 0.000 0.491 129 E N 1.220 121.374 120.200 -0.077 0.000 2.320 129 E HA -0.165 4.240 4.350 0.093 0.000 0.234 129 E C -0.208 176.343 176.600 -0.082 0.000 1.183 129 E CA 0.120 56.474 56.400 -0.077 0.000 0.713 129 E CB -1.623 28.044 29.700 -0.054 0.000 1.226 129 E HN 0.621 nan 8.360 nan 0.000 0.382 130 L N -0.439 120.711 121.223 -0.123 0.000 2.472 130 L HA 0.068 4.463 4.340 0.093 0.000 0.260 130 L C -0.913 175.911 176.870 -0.077 0.000 1.209 130 L CA -1.433 53.326 54.840 -0.135 0.000 0.817 130 L CB 0.023 41.931 42.059 -0.253 0.000 1.106 130 L HN -0.099 nan 8.230 nan 0.000 0.479 131 P HA -0.185 nan 4.420 nan 0.000 0.217 131 P C 1.440 178.731 177.300 -0.016 0.000 1.148 131 P CA 1.415 64.504 63.100 -0.018 0.000 0.828 131 P CB 0.149 31.851 31.700 0.003 0.000 0.783 132 S N -1.955 113.731 115.700 -0.024 0.000 2.522 132 S HA -0.102 4.423 4.470 0.093 0.000 0.227 132 S C 1.011 175.598 174.600 -0.021 0.000 0.986 132 S CA 0.338 58.532 58.200 -0.011 0.000 0.929 132 S CB -0.820 62.379 63.200 -0.002 0.000 0.769 132 S HN 0.060 nan 8.310 nan 0.000 0.529 133 Q N -0.292 119.479 119.800 -0.048 0.000 2.481 133 Q HA -0.162 4.234 4.340 0.093 0.000 0.258 133 Q C -0.778 175.201 176.000 -0.034 0.000 0.961 133 Q CA 1.156 56.930 55.803 -0.048 0.000 1.121 133 Q CB -2.152 26.571 28.738 -0.025 0.000 1.503 133 Q HN 0.741 nan 8.270 nan 0.000 0.544 134 K N 1.357 121.727 120.400 -0.050 0.000 2.298 134 K HA 0.326 4.702 4.320 0.093 0.000 0.280 134 K C 0.833 177.407 176.600 -0.044 0.000 1.032 134 K CA 0.262 56.531 56.287 -0.029 0.000 0.958 134 K CB 0.716 33.192 32.500 -0.041 0.000 0.978 134 K HN 0.281 nan 8.250 nan 0.000 0.472 135 S N 2.331 118.045 115.700 0.024 0.000 2.608 135 S HA 0.087 4.613 4.470 0.093 0.000 0.261 135 S C 1.403 175.996 174.600 -0.011 0.000 1.314 135 S CA -0.619 57.600 58.200 0.032 0.000 0.992 135 S CB 0.408 63.735 63.200 0.212 0.000 0.935 135 S HN 0.556 nan 8.310 nan 0.000 0.564 136 L N -0.430 120.773 121.223 -0.033 0.000 2.046 136 L HA -0.075 4.320 4.340 0.093 0.000 0.208 136 L C 2.366 179.301 176.870 0.108 0.000 1.077 136 L CA 1.405 56.237 54.840 -0.012 0.000 0.747 136 L CB -0.670 41.339 42.059 -0.084 0.000 0.896 136 L HN 0.587 nan 8.230 nan 0.000 0.432 137 F N 0.398 120.420 119.950 0.121 0.000 2.095 137 F HA -0.296 4.286 4.527 0.092 0.000 0.298 137 F C 2.828 178.533 175.800 -0.158 0.000 1.104 137 F CA 1.795 59.901 58.000 0.177 0.000 1.232 137 F CB -0.881 38.228 39.000 0.182 0.000 0.987 137 F HN 0.167 nan 8.300 nan 0.000 0.475 138 Q N 0.492 120.028 119.800 -0.439 0.000 2.079 138 Q HA -0.165 4.231 4.340 0.093 0.000 0.200 138 Q C 2.257 178.115 176.000 -0.237 0.000 0.974 138 Q CA 1.729 56.983 55.803 -0.917 0.000 0.840 138 Q CB -0.278 27.960 28.738 -0.833 0.000 0.898 138 Q HN 0.446 nan 8.270 nan 0.000 0.430 139 I N 0.612 121.140 120.570 -0.070 0.000 2.151 139 I HA -0.354 3.871 4.170 0.093 0.000 0.243 139 I C 2.413 178.570 176.117 0.068 0.000 1.080 139 I CA 1.692 63.013 61.300 0.035 0.000 1.339 139 I CB -0.330 37.711 38.000 0.068 0.000 1.039 139 I HN 0.377 nan 8.210 nan 0.000 0.409 140 Q N 0.350 120.231 119.800 0.135 0.000 2.167 140 Q HA -0.113 4.283 4.340 0.093 0.000 0.202 140 Q C 2.394 178.324 176.000 -0.118 0.000 0.970 140 Q CA 1.499 57.359 55.803 0.094 0.000 0.855 140 Q CB -0.212 28.761 28.738 0.392 0.000 0.911 140 Q HN 0.579 nan 8.270 nan 0.000 0.438 141 A N 1.101 123.939 122.820 0.030 0.000 1.929 141 A HA -0.184 4.191 4.320 0.093 0.000 0.216 141 A C 1.726 179.343 177.584 0.054 0.000 1.176 141 A CA 1.204 53.264 52.037 0.038 0.000 0.628 141 A CB -0.183 19.098 19.000 0.470 0.000 0.816 141 A HN 0.297 nan 8.150 nan 0.000 0.444 142 E N -0.609 119.630 120.200 0.064 0.000 2.158 142 E HA -0.142 4.264 4.350 0.093 0.000 0.191 142 E C 1.941 178.589 176.600 0.080 0.000 0.982 142 E CA 1.017 57.471 56.400 0.089 0.000 0.823 142 E CB -0.038 29.717 29.700 0.092 0.000 0.766 142 E HN 0.458 nan 8.360 nan 0.000 0.468 143 K N 1.512 121.937 120.400 0.042 0.000 2.057 143 K HA -0.114 4.262 4.320 0.093 0.000 0.207 143 K C 1.764 178.439 176.600 0.123 0.000 1.049 143 K CA 1.132 57.453 56.287 0.057 0.000 0.931 143 K CB -0.211 32.261 32.500 -0.048 0.000 0.714 143 K HN 0.067 nan 8.250 nan 0.000 0.440 144 I N 0.134 120.692 120.570 -0.020 0.000 2.202 144 I HA -0.269 3.956 4.170 0.093 0.000 0.242 144 I C 2.127 178.265 176.117 0.035 0.000 1.091 144 I CA 1.008 62.284 61.300 -0.040 0.000 1.368 144 I CB -0.216 37.645 38.000 -0.232 0.000 1.058 144 I HN 0.128 nan 8.210 nan 0.000 0.410 145 L N 0.546 121.804 121.223 0.059 0.000 2.012 145 L HA -0.272 4.124 4.340 0.093 0.000 0.210 145 L C 2.648 179.564 176.870 0.078 0.000 1.073 145 L CA 1.401 56.288 54.840 0.079 0.000 0.748 145 L CB -0.546 41.574 42.059 0.101 0.000 0.891 145 L HN 0.196 nan 8.230 nan 0.000 0.431 146 K N 0.710 121.174 120.400 0.107 0.000 2.009 146 K HA -0.226 4.150 4.320 0.093 0.000 0.210 146 K C 1.853 178.489 176.600 0.060 0.000 1.049 146 K CA 1.730 58.088 56.287 0.119 0.000 0.929 146 K CB -0.576 32.046 32.500 0.202 0.000 0.714 146 K HN 0.082 nan 8.250 nan 0.000 0.440 147 I N 1.504 122.094 120.570 0.034 0.000 2.361 147 I HA -0.203 4.022 4.170 0.093 0.000 0.251 147 I C 1.696 177.769 176.117 -0.073 0.000 1.133 147 I CA 1.482 62.682 61.300 -0.166 0.000 1.413 147 I CB -0.194 37.637 38.000 -0.282 0.000 1.073 147 I HN 0.318 nan 8.210 nan 0.000 0.424 148 E N -0.426 119.771 120.200 -0.006 0.000 2.077 148 E HA -0.297 4.109 4.350 0.093 0.000 0.193 148 E C 2.176 178.785 176.600 0.015 0.000 0.989 148 E CA 1.387 57.795 56.400 0.014 0.000 0.800 148 E CB -0.150 29.570 29.700 0.034 0.000 0.746 148 E HN 0.607 nan 8.360 nan 0.000 0.452 149 Q N 0.394 120.204 119.800 0.017 0.000 2.079 149 Q HA -0.106 4.289 4.340 0.093 0.000 0.200 149 Q C 2.303 178.309 176.000 0.011 0.000 0.974 149 Q CA 0.965 56.779 55.803 0.020 0.000 0.840 149 Q CB -0.000 28.753 28.738 0.026 0.000 0.898 149 Q HN 0.267 nan 8.270 nan 0.000 0.430 150 L N -0.094 121.119 121.223 -0.017 0.000 2.079 150 L HA -0.221 4.174 4.340 0.093 0.000 0.210 150 L C 2.421 179.297 176.870 0.010 0.000 1.081 150 L CA 0.992 55.815 54.840 -0.029 0.000 0.752 150 L CB -0.595 41.397 42.059 -0.112 0.000 0.896 150 L HN 0.255 nan 8.230 nan 0.000 0.433 151 A N -0.469 122.354 122.820 0.004 0.000 1.898 151 A HA -0.271 4.104 4.320 0.093 0.000 0.216 151 A C 2.288 179.934 177.584 0.103 0.000 1.181 151 A CA 1.743 53.818 52.037 0.064 0.000 0.620 151 A CB -0.580 18.443 19.000 0.038 0.000 0.819 151 A HN 0.499 nan 8.150 nan 0.000 0.442 152 Q N -0.513 119.321 119.800 0.058 0.000 2.124 152 Q HA -0.276 4.120 4.340 0.093 0.000 0.202 152 Q C 2.242 178.266 176.000 0.039 0.000 0.977 152 Q CA 1.880 57.709 55.803 0.043 0.000 0.850 152 Q CB -0.198 28.558 28.738 0.029 0.000 0.901 152 Q HN 0.837 nan 8.270 nan 0.000 0.429 153 Q N -0.695 119.136 119.800 0.050 0.000 2.046 153 Q HA -0.233 4.162 4.340 0.093 0.000 0.200 153 Q C 1.934 177.972 176.000 0.062 0.000 0.975 153 Q CA 1.443 57.272 55.803 0.044 0.000 0.836 153 Q CB -0.378 28.387 28.738 0.045 0.000 0.896 153 Q HN 0.537 nan 8.270 nan 0.000 0.428 154 Y N 1.060 121.347 120.300 -0.021 0.000 2.128 154 Y HA -0.195 4.411 4.550 0.094 0.000 0.284 154 Y C 1.675 177.567 175.900 -0.013 0.000 1.154 154 Y CA 1.701 59.789 58.100 -0.020 0.000 1.149 154 Y CB -0.193 38.252 38.460 -0.026 0.000 0.976 154 Y HN 0.147 nan 8.280 nan 0.000 0.505 155 L N -0.185 120.958 121.223 -0.134 0.000 2.554 155 L HA -0.012 4.384 4.340 0.093 0.000 0.226 155 L C 0.804 177.592 176.870 -0.137 0.000 1.137 155 L CA 0.631 55.349 54.840 -0.205 0.000 0.863 155 L CB -0.188 41.837 42.059 -0.056 0.000 0.985 155 L HN 0.069 nan 8.230 nan 0.000 0.451 156 K N 0.198 120.545 120.400 -0.089 0.000 3.117 156 K HA -0.129 4.247 4.320 0.093 0.000 0.269 156 K C 0.063 176.641 176.600 -0.037 0.000 1.098 156 K CA 0.242 56.493 56.287 -0.059 0.000 0.785 156 K CB -1.666 30.788 32.500 -0.077 0.000 1.242 156 K HN 0.171 nan 8.250 nan 0.000 0.491 157 S N -0.943 114.744 115.700 -0.022 0.000 2.603 157 S HA 0.200 4.726 4.470 0.093 0.000 0.268 157 S C 1.748 176.345 174.600 -0.005 0.000 1.317 157 S CA -0.126 58.068 58.200 -0.010 0.000 1.012 157 S CB 1.311 64.513 63.200 0.003 0.000 0.926 157 S HN 0.463 nan 8.310 nan 0.000 0.539 158 T N -0.334 114.219 114.554 -0.002 0.000 2.937 158 T HA 0.148 4.554 4.350 0.093 0.000 0.260 158 T C 0.553 175.255 174.700 0.004 0.000 1.051 158 T CA 0.534 62.634 62.100 -0.000 0.000 1.141 158 T CB -0.037 68.831 68.868 -0.001 0.000 0.879 158 T HN 0.418 nan 8.240 nan 0.000 0.459 159 K N 1.333 121.737 120.400 0.007 0.000 2.203 159 K HA 0.378 4.753 4.320 0.093 0.000 0.251 159 K C -0.552 176.058 176.600 0.017 0.000 0.944 159 K CA -0.930 55.364 56.287 0.011 0.000 0.829 159 K CB 1.380 33.887 32.500 0.011 0.000 1.125 159 K HN 0.026 nan 8.250 nan 0.000 0.430 160 K N 5.033 125.445 120.400 0.020 0.000 2.322 160 K HA 0.210 4.585 4.320 0.093 0.000 0.283 160 K C -2.192 174.426 176.600 0.030 0.000 1.042 160 K CA -1.439 54.863 56.287 0.026 0.000 0.958 160 K CB 0.777 33.293 32.500 0.027 0.000 0.984 160 K HN 0.444 nan 8.250 nan 0.000 0.473 161 P HA 0.097 nan 4.420 nan 0.000 0.272 161 P C -0.454 176.873 177.300 0.046 0.000 1.230 161 P CA -0.320 62.805 63.100 0.043 0.000 0.788 161 P CB 0.650 32.380 31.700 0.050 0.000 0.949 162 I N 2.601 123.201 120.570 0.050 0.000 2.377 162 I HA 0.366 4.592 4.170 0.093 0.000 0.293 162 I C 0.650 176.807 176.117 0.066 0.000 0.987 162 I CA -0.840 60.492 61.300 0.053 0.000 1.185 162 I CB 0.963 38.991 38.000 0.047 0.000 1.341 162 I HN 0.269 nan 8.210 nan 0.000 0.455 163 I N 5.712 126.323 120.570 0.069 0.000 2.359 163 I HA 0.217 4.443 4.170 0.093 0.000 0.284 163 I C -0.087 176.079 176.117 0.082 0.000 1.018 163 I CA -0.586 60.766 61.300 0.086 0.000 1.173 163 I CB 0.834 38.880 38.000 0.076 0.000 1.326 163 I HN 0.495 nan 8.210 nan 0.000 0.462 164 N N 5.564 124.303 118.700 0.066 0.000 2.483 164 N HA 0.004 4.799 4.740 0.093 0.000 0.264 164 N C -0.958 174.547 175.510 -0.009 0.000 1.197 164 N CA 0.045 53.053 53.050 -0.070 0.000 0.927 164 N CB 0.530 38.895 38.487 -0.203 0.000 1.065 164 N HN 0.456 nan 8.380 nan 0.000 0.461 165 W N 5.114 126.248 121.300 -0.276 0.000 2.322 165 W HA 0.324 5.039 4.660 0.092 0.000 0.321 165 W C -1.415 174.930 176.519 -0.291 0.000 0.991 165 W CA -1.429 55.837 57.345 -0.132 0.000 1.448 165 W CB -0.319 29.133 29.460 -0.014 0.000 1.239 165 W HN 0.478 nan 8.180 nan 0.000 0.399 166 Y N 6.310 126.749 120.300 0.232 0.000 2.404 166 Y HA 0.342 4.948 4.550 0.093 0.000 0.344 166 Y C 0.633 176.593 175.900 0.100 0.000 0.995 166 Y CA -0.293 57.876 58.100 0.116 0.000 1.201 166 Y CB 0.592 39.132 38.460 0.134 0.000 1.151 166 Y HN 0.053 nan 8.280 nan 0.000 0.517 167 I N 5.323 125.867 120.570 -0.043 0.000 2.328 167 I HA 0.259 4.485 4.170 0.093 0.000 0.287 167 I C -0.248 175.751 176.117 -0.197 0.000 1.012 167 I CA -0.601 60.574 61.300 -0.208 0.000 1.195 167 I CB 1.196 38.839 38.000 -0.596 0.000 1.350 167 I HN 0.579 nan 8.210 nan 0.000 0.464 168 M N 7.771 127.142 119.600 -0.381 0.000 2.143 168 M HA 0.268 4.804 4.480 0.093 0.000 0.348 168 M C -0.007 176.049 176.300 -0.406 0.000 1.375 168 M CA 0.061 54.815 55.300 -0.911 0.000 1.124 168 M CB 0.519 32.608 32.600 -0.851 0.000 1.669 168 M HN 0.720 nan 8.290 nan 0.000 0.469 169 T N 1.524 115.878 114.554 -0.333 0.000 2.938 169 T HA 0.759 5.165 4.350 0.093 0.000 0.285 169 T C -0.032 174.586 174.700 -0.137 0.000 1.028 169 T CA -0.815 61.203 62.100 -0.137 0.000 1.005 169 T CB 1.538 70.373 68.868 -0.056 0.000 1.157 169 T HN 0.702 nan 8.240 nan 0.000 0.550 170 S N -0.733 114.924 115.700 -0.072 0.000 2.681 170 S HA 0.633 5.158 4.470 0.093 0.000 0.299 170 S C 1.636 176.215 174.600 -0.036 0.000 1.113 170 S CA -0.378 57.790 58.200 -0.053 0.000 1.013 170 S CB 0.954 64.134 63.200 -0.034 0.000 1.076 170 S HN 1.107 nan 8.310 nan 0.000 0.534 171 G N 1.648 110.434 108.800 -0.023 0.000 2.513 171 G HA2 -0.154 3.861 3.960 0.093 0.000 0.219 171 G HA3 -0.154 3.861 3.960 0.093 0.000 0.219 171 G C -0.498 174.391 174.900 -0.019 0.000 1.160 171 G CA 1.138 46.229 45.100 -0.016 0.000 0.767 171 G HN 0.714 nan 8.290 nan 0.000 0.571 172 P HA -0.068 nan 4.420 nan 0.000 0.219 172 P C 1.900 179.192 177.300 -0.013 0.000 1.150 172 P CA 2.119 65.211 63.100 -0.013 0.000 0.814 172 P CB -0.316 31.378 31.700 -0.009 0.000 0.787 173 T N -3.754 110.793 114.554 -0.011 0.000 3.081 173 T HA 0.085 4.491 4.350 0.093 0.000 0.255 173 T C 1.959 176.648 174.700 -0.019 0.000 1.113 173 T CA 0.039 62.140 62.100 0.002 0.000 1.082 173 T CB -0.276 68.609 68.868 0.028 0.000 0.939 173 T HN -0.122 nan 8.240 nan 0.000 0.506 174 R N 2.553 123.024 120.500 -0.049 0.000 2.082 174 R HA -0.045 4.350 4.340 0.093 0.000 0.234 174 R C 2.124 178.332 176.300 -0.153 0.000 1.136 174 R CA 1.948 57.986 56.100 -0.104 0.000 0.935 174 R CB -1.121 29.129 30.300 -0.082 0.000 0.842 174 R HN 0.372 nan 8.270 nan 0.000 0.430 175 N N 0.297 118.937 118.700 -0.100 0.000 2.043 175 N HA -0.145 4.651 4.740 0.093 0.000 0.193 175 N C 1.612 177.070 175.510 -0.086 0.000 1.037 175 N CA 1.948 54.938 53.050 -0.100 0.000 0.851 175 N CB -0.644 37.808 38.487 -0.059 0.000 1.027 175 N HN 0.397 nan 8.380 nan 0.000 0.422 176 A N 0.349 123.146 122.820 -0.038 0.000 1.972 176 A HA -0.107 4.268 4.320 0.093 0.000 0.219 176 A C 2.396 180.010 177.584 0.050 0.000 1.169 176 A CA 1.859 53.903 52.037 0.012 0.000 0.635 176 A CB -0.908 18.104 19.000 0.020 0.000 0.810 176 A HN 0.310 nan 8.150 nan 0.000 0.446 177 T N -0.721 113.833 114.554 -0.000 0.000 2.701 177 T HA -0.126 4.279 4.350 0.093 0.000 0.263 177 T C 1.899 176.525 174.700 -0.123 0.000 1.040 177 T CA 1.545 63.665 62.100 0.032 0.000 1.147 177 T CB -0.197 68.663 68.868 -0.013 0.000 0.865 177 T HN 0.719 nan 8.240 nan 0.000 0.426 178 E N 0.648 120.519 120.200 -0.548 0.000 2.110 178 E HA -0.122 4.283 4.350 0.093 0.000 0.193 178 E C 2.304 178.751 176.600 -0.254 0.000 0.988 178 E CA 1.239 57.143 56.400 -0.827 0.000 0.804 178 E CB -0.050 29.093 29.700 -0.927 0.000 0.745 178 E HN 0.309 nan 8.360 nan 0.000 0.458 179 S N 0.103 115.725 115.700 -0.130 0.000 2.356 179 S HA -0.150 4.376 4.470 0.093 0.000 0.223 179 S C 1.507 176.109 174.600 0.004 0.000 1.032 179 S CA 1.051 59.219 58.200 -0.052 0.000 1.005 179 S CB -0.484 62.707 63.200 -0.016 0.000 0.867 179 S HN 0.366 nan 8.310 nan 0.000 0.449 180 F N 1.668 121.587 119.950 -0.052 0.000 2.091 180 F HA -0.155 4.428 4.527 0.092 0.000 0.299 180 F C 1.786 177.489 175.800 -0.162 0.000 1.103 180 F CA 1.255 59.235 58.000 -0.034 0.000 1.228 180 F CB -0.588 38.473 39.000 0.100 0.000 0.984 180 F HN 0.125 nan 8.300 nan 0.000 0.477 181 F N 0.181 120.015 119.950 -0.193 0.000 2.134 181 F HA -0.194 4.388 4.527 0.092 0.000 0.299 181 F C 2.365 177.656 175.800 -0.848 0.000 1.097 181 F CA 1.627 59.343 58.000 -0.473 0.000 1.264 181 F CB -0.796 38.087 39.000 -0.195 0.000 1.001 181 F HN -0.056 nan 8.300 nan 0.000 0.479 182 I N -0.353 119.933 120.570 -0.473 0.000 2.179 182 I HA -0.264 3.962 4.170 0.093 0.000 0.242 182 I C 2.448 178.336 176.117 -0.381 0.000 1.088 182 I CA 1.482 62.496 61.300 -0.476 0.000 1.357 182 I CB -0.416 37.466 38.000 -0.197 0.000 1.051 182 I HN 0.024 nan 8.210 nan 0.000 0.409 183 E N 1.423 121.427 120.200 -0.326 0.000 2.219 183 E HA -0.222 4.183 4.350 0.093 0.000 0.198 183 E C 1.285 177.643 176.600 -0.404 0.000 0.998 183 E CA 1.446 57.669 56.400 -0.295 0.000 0.818 183 E CB -0.191 29.363 29.700 -0.244 0.000 0.741 183 E HN 0.422 nan 8.360 nan 0.000 0.477 184 N N 0.467 118.775 118.700 -0.654 0.000 2.251 184 N HA -0.009 4.787 4.740 0.093 0.000 0.217 184 N C -0.253 174.869 175.510 -0.647 0.000 1.124 184 N CA 0.421 53.003 53.050 -0.781 0.000 0.843 184 N CB 0.168 37.787 38.487 -1.447 0.000 1.024 184 N HN 0.148 nan 8.380 nan 0.000 0.501 185 N N 0.898 119.342 118.700 -0.426 0.000 2.721 185 N HA -0.292 4.503 4.740 0.093 0.000 0.249 185 N C -0.876 174.630 175.510 -0.006 0.000 1.072 185 N CA 0.566 53.525 53.050 -0.152 0.000 0.710 185 N CB -1.926 36.520 38.487 -0.069 0.000 0.993 185 N HN 0.375 nan 8.380 nan 0.000 0.547 186 Y N -3.103 117.066 120.300 -0.218 0.000 4.604 186 Y HA -0.371 4.234 4.550 0.092 0.000 0.230 186 Y C 0.850 176.811 175.900 0.102 0.000 1.066 186 Y CA 1.219 59.333 58.100 0.023 0.000 1.990 186 Y CB -2.576 36.012 38.460 0.214 0.000 1.619 186 Y HN 0.327 nan 8.280 nan 0.000 0.649 187 F N -1.618 118.388 119.950 0.094 0.000 3.093 187 F HA -0.205 4.378 4.527 0.093 0.000 0.287 187 F C 1.545 177.429 175.800 0.140 0.000 0.882 187 F CA 1.643 59.693 58.000 0.082 0.000 1.063 187 F CB -1.434 37.621 39.000 0.092 0.000 1.097 187 F HN 0.587 nan 8.300 nan 0.000 0.604 188 G N -1.056 107.886 108.800 0.237 0.000 2.213 188 G HA2 -0.305 3.711 3.960 0.093 0.000 0.236 188 G HA3 -0.305 3.711 3.960 0.093 0.000 0.236 188 G C 0.257 175.276 174.900 0.198 0.000 0.991 188 G CA -0.011 45.204 45.100 0.192 0.000 0.629 188 G HN 0.455 nan 8.290 nan 0.000 0.517 189 L N 0.705 122.098 121.223 0.283 0.000 2.456 189 L HA 0.345 4.740 4.340 0.093 0.000 0.257 189 L C 0.911 177.862 176.870 0.134 0.000 1.162 189 L CA -0.746 54.237 54.840 0.239 0.000 0.808 189 L CB 0.422 42.703 42.059 0.370 0.000 1.136 189 L HN 0.164 nan 8.230 nan 0.000 0.466 190 N N -0.092 118.634 118.700 0.044 0.000 2.497 190 N HA -0.018 4.777 4.740 0.093 0.000 0.268 190 N C 0.919 176.299 175.510 -0.218 0.000 1.171 190 N CA -0.039 52.966 53.050 -0.075 0.000 0.948 190 N CB 0.988 39.432 38.487 -0.071 0.000 1.069 190 N HN 0.686 nan 8.380 nan 0.000 0.460 191 S N 1.628 117.073 115.700 -0.424 0.000 2.419 191 S HA -0.208 4.318 4.470 0.093 0.000 0.235 191 S C 1.138 175.530 174.600 -0.347 0.000 1.019 191 S CA 1.045 58.717 58.200 -0.880 0.000 0.982 191 S CB -0.413 62.392 63.200 -0.658 0.000 0.789 191 S HN 0.650 nan 8.310 nan 0.000 0.490 192 H N 1.511 120.419 119.070 -0.270 0.000 2.529 192 H HA 0.053 4.664 4.556 0.092 0.000 0.277 192 H C 2.346 177.577 175.328 -0.161 0.000 0.999 192 H CA 1.042 56.989 56.048 -0.168 0.000 1.256 192 H CB 0.053 29.756 29.762 -0.097 0.000 1.402 192 H HN 0.750 nan 8.280 nan 0.000 0.566 193 Q N 0.952 120.734 119.800 -0.031 0.000 2.360 193 Q HA 0.076 4.472 4.340 0.093 0.000 0.202 193 Q C -0.209 175.733 176.000 -0.097 0.000 0.915 193 Q CA 0.174 55.946 55.803 -0.051 0.000 0.943 193 Q CB 0.630 29.381 28.738 0.022 0.000 1.064 193 Q HN 0.060 nan 8.270 nan 0.000 0.511 194 V N 2.495 122.313 119.914 -0.161 0.000 2.311 194 V HA 0.393 4.569 4.120 0.093 0.000 0.275 194 V C -0.447 175.316 176.094 -0.551 0.000 1.022 194 V CA -0.484 61.621 62.300 -0.326 0.000 0.830 194 V CB 1.090 32.797 31.823 -0.192 0.000 1.012 194 V HN 0.250 nan 8.190 nan 0.000 0.452 195 I N 5.649 125.846 120.570 -0.621 0.000 2.411 195 I HA 0.460 4.685 4.170 0.093 0.000 0.284 195 I C -0.648 175.268 176.117 -0.335 0.000 1.012 195 I CA -0.228 60.827 61.300 -0.408 0.000 1.119 195 I CB 1.332 39.190 38.000 -0.237 0.000 1.261 195 I HN 0.382 nan 8.210 nan 0.000 0.448 196 F N 7.011 126.974 119.950 0.023 0.000 2.384 196 F HA 0.579 5.162 4.527 0.093 0.000 0.338 196 F C 0.005 175.952 175.800 0.244 0.000 1.103 196 F CA -0.621 57.409 58.000 0.050 0.000 1.157 196 F CB 0.895 39.850 39.000 -0.076 0.000 1.167 196 F HN 0.277 nan 8.300 nan 0.000 0.529 197 F N -0.326 119.709 119.950 0.141 0.000 2.615 197 F HA 0.497 5.079 4.527 0.091 0.000 0.312 197 F C -1.522 174.319 175.800 0.068 0.000 1.119 197 F CA -1.280 56.774 58.000 0.091 0.000 0.979 197 F CB 0.970 40.010 39.000 0.068 0.000 1.266 197 F HN 0.400 nan 8.300 nan 0.000 0.444 198 N N 3.218 121.946 118.700 0.046 0.000 2.499 198 N HA 0.260 5.056 4.740 0.093 0.000 0.281 198 N C -0.954 174.530 175.510 -0.043 0.000 1.098 198 N CA -0.928 52.085 53.050 -0.061 0.000 0.979 198 N CB 1.342 39.833 38.487 0.007 0.000 1.121 198 N HN 0.778 nan 8.380 nan 0.000 0.466 199 Q N 0.777 120.512 119.800 -0.109 0.000 2.249 199 Q HA 0.467 4.863 4.340 0.093 0.000 0.226 199 Q C 0.325 176.329 176.000 0.007 0.000 0.983 199 Q CA -1.070 54.711 55.803 -0.037 0.000 0.930 199 Q CB 0.772 29.465 28.738 -0.076 0.000 1.193 199 Q HN 0.515 nan 8.270 nan 0.000 0.508 200 G N 0.092 108.913 108.800 0.035 0.000 2.563 200 G HA2 0.458 4.473 3.960 0.093 0.000 0.283 200 G HA3 0.458 4.473 3.960 0.093 0.000 0.283 200 G C -0.436 174.477 174.900 0.022 0.000 1.309 200 G CA 0.089 45.212 45.100 0.039 0.000 1.022 200 G HN 0.849 nan 8.290 nan 0.000 0.501 201 T N -3.318 111.251 114.554 0.025 0.000 2.858 201 T HA 0.716 5.122 4.350 0.093 0.000 0.285 201 T C -1.166 173.539 174.700 0.009 0.000 1.052 201 T CA -0.825 61.281 62.100 0.011 0.000 1.009 201 T CB 1.878 70.754 68.868 0.013 0.000 1.241 201 T HN 0.408 nan 8.240 nan 0.000 0.542 202 L N 0.922 122.139 121.223 -0.010 0.000 2.434 202 L HA 0.690 5.085 4.340 0.093 0.000 0.260 202 L C -2.705 174.175 176.870 0.016 0.000 0.983 202 L CA -2.293 52.537 54.840 -0.017 0.000 0.820 202 L CB 2.084 44.057 42.059 -0.143 0.000 1.361 202 L HN 0.540 nan 8.230 nan 0.000 0.410 203 P HA 0.221 nan 4.420 nan 0.000 0.272 203 P C -0.950 176.362 177.300 0.020 0.000 1.223 203 P CA -0.376 62.709 63.100 -0.025 0.000 0.784 203 P CB 0.506 32.121 31.700 -0.141 0.000 0.923 204 C N 2.317 121.583 119.300 -0.057 0.000 2.401 204 C HA 0.556 5.072 4.460 0.093 0.000 0.365 204 C C 0.140 175.096 174.990 -0.057 0.000 1.250 204 C CA -0.029 59.017 59.018 0.045 0.000 2.131 204 C CB -0.873 26.874 27.740 0.011 0.000 2.445 204 C HN 0.437 nan 8.230 nan 0.000 0.550 205 F N 1.816 121.766 119.950 0.001 0.000 2.594 205 F HA 0.439 5.022 4.527 0.093 0.000 0.335 205 F C 0.687 176.497 175.800 0.017 0.000 1.058 205 F CA -0.801 57.209 58.000 0.017 0.000 0.981 205 F CB 0.795 39.807 39.000 0.020 0.000 1.289 205 F HN 0.592 nan 8.300 nan 0.000 0.490 206 N N 0.927 119.761 118.700 0.224 0.000 2.354 206 N HA 0.046 4.841 4.740 0.093 0.000 0.246 206 N C 0.715 176.305 175.510 0.135 0.000 1.285 206 N CA -0.212 52.921 53.050 0.137 0.000 0.925 206 N CB 0.370 38.925 38.487 0.113 0.000 1.174 206 N HN 0.708 nan 8.380 nan 0.000 0.478 207 L N -0.947 120.330 121.223 0.090 0.000 2.189 207 L HA -0.218 4.178 4.340 0.093 0.000 0.214 207 L C 2.497 179.403 176.870 0.060 0.000 1.097 207 L CA 1.502 56.383 54.840 0.068 0.000 0.764 207 L CB -0.406 41.684 42.059 0.052 0.000 0.900 207 L HN 0.713 nan 8.230 nan 0.000 0.436 208 Q N 0.026 119.867 119.800 0.069 0.000 2.389 208 Q HA -0.016 4.380 4.340 0.093 0.000 0.204 208 Q C 1.340 177.371 176.000 0.051 0.000 0.944 208 Q CA 0.697 56.532 55.803 0.053 0.000 0.908 208 Q CB 0.314 29.085 28.738 0.055 0.000 1.002 208 Q HN 0.473 nan 8.270 nan 0.000 0.493 209 G N 1.496 110.351 108.800 0.092 0.000 2.160 209 G HA2 -0.296 3.720 3.960 0.093 0.000 0.251 209 G HA3 -0.296 3.720 3.960 0.093 0.000 0.251 209 G C 0.271 175.224 174.900 0.088 0.000 1.008 209 G CA 0.595 45.720 45.100 0.042 0.000 0.724 209 G HN 0.621 nan 8.290 nan 0.000 0.514 210 N N -1.250 117.572 118.700 0.203 0.000 2.210 210 N HA 0.198 4.994 4.740 0.093 0.000 0.203 210 N C 0.355 176.039 175.510 0.290 0.000 1.175 210 N CA 0.232 53.407 53.050 0.208 0.000 0.894 210 N CB 0.561 39.116 38.487 0.113 0.000 1.041 210 N HN 0.242 nan 8.380 nan 0.000 0.506 211 K N 0.948 121.529 120.400 0.303 0.000 2.345 211 K HA 0.503 4.879 4.320 0.093 0.000 0.255 211 K C -0.598 176.004 176.600 0.003 0.000 0.934 211 K CA -0.451 55.932 56.287 0.159 0.000 0.801 211 K CB 2.338 34.896 32.500 0.097 0.000 1.137 211 K HN 0.029 nan 8.250 nan 0.000 0.424 212 I N 4.079 124.506 120.570 -0.239 0.000 2.529 212 I HA 0.126 4.351 4.170 0.093 0.000 0.284 212 I C 0.146 176.130 176.117 -0.221 0.000 1.082 212 I CA -0.445 60.532 61.300 -0.537 0.000 1.406 212 I CB 0.490 38.204 38.000 -0.476 0.000 1.405 212 I HN 0.292 nan 8.210 nan 0.000 0.548 213 L N 6.568 127.678 121.223 -0.188 0.000 2.371 213 L HA 0.359 4.755 4.340 0.093 0.000 0.272 213 L C -0.219 176.622 176.870 -0.047 0.000 1.124 213 L CA -0.529 54.270 54.840 -0.069 0.000 0.816 213 L CB 0.893 42.930 42.059 -0.037 0.000 1.129 213 L HN 0.422 nan 8.230 nan 0.000 0.448 214 L N 2.629 123.849 121.223 -0.005 0.000 2.289 214 L HA 0.178 4.574 4.340 0.093 0.000 0.285 214 L C 1.133 178.017 176.870 0.023 0.000 1.049 214 L CA 0.045 54.886 54.840 0.002 0.000 0.804 214 L CB 1.721 43.795 42.059 0.024 0.000 1.195 214 L HN 0.716 nan 8.230 nan 0.000 0.428 215 E N 3.910 124.123 120.200 0.022 0.000 2.102 215 E HA 0.111 4.516 4.350 0.093 0.000 0.190 215 E C -0.016 176.659 176.600 0.125 0.000 0.971 215 E CA 0.597 57.056 56.400 0.098 0.000 0.821 215 E CB 0.544 30.288 29.700 0.073 0.000 0.777 215 E HN 0.498 nan 8.360 nan 0.000 0.460 216 L N -0.271 120.937 121.223 -0.023 0.000 2.341 216 L HA 0.312 4.708 4.340 0.093 0.000 0.254 216 L C 0.447 177.189 176.870 -0.215 0.000 1.040 216 L CA -0.999 53.777 54.840 -0.106 0.000 0.837 216 L CB 1.488 43.452 42.059 -0.159 0.000 1.425 216 L HN -0.224 nan 8.230 nan 0.000 0.414 217 K N 1.051 121.279 120.400 -0.286 0.000 2.218 217 K HA -0.137 4.238 4.320 0.093 0.000 0.205 217 K C 1.025 177.368 176.600 -0.428 0.000 1.046 217 K CA 1.263 57.345 56.287 -0.342 0.000 0.933 217 K CB -0.193 32.052 32.500 -0.425 0.000 0.728 217 K HN 0.585 nan 8.250 nan 0.000 0.454 218 N N -1.013 117.375 118.700 -0.520 0.000 2.416 218 N HA 0.048 4.843 4.740 0.093 0.000 0.267 218 N C -1.171 173.826 175.510 -0.856 0.000 1.294 218 N CA -0.176 52.359 53.050 -0.859 0.000 0.891 218 N CB 0.822 39.060 38.487 -0.415 0.000 1.238 218 N HN -0.065 nan 8.380 nan 0.000 0.508 219 S N 0.708 116.019 115.700 -0.648 0.000 2.563 219 S HA 0.441 4.967 4.470 0.093 0.000 0.279 219 S C -0.631 173.946 174.600 -0.040 0.000 1.155 219 S CA -0.912 57.180 58.200 -0.179 0.000 0.928 219 S CB 0.503 63.646 63.200 -0.095 0.000 1.107 219 S HN 0.304 nan 8.310 nan 0.000 0.462 220 I N 1.835 122.475 120.570 0.117 0.000 2.612 220 I HA 0.596 4.822 4.170 0.093 0.000 0.295 220 I C 0.671 176.793 176.117 0.009 0.000 1.011 220 I CA -0.877 60.450 61.300 0.045 0.000 1.326 220 I CB 0.850 38.859 38.000 0.016 0.000 1.427 220 I HN 0.645 nan 8.210 nan 0.000 0.537 221 C N 4.972 124.263 119.300 -0.014 0.000 2.637 221 C HA 0.373 4.889 4.460 0.093 0.000 0.418 221 C C 0.034 175.013 174.990 -0.019 0.000 1.319 221 C CA 0.144 59.157 59.018 -0.009 0.000 1.949 221 C CB -0.346 27.385 27.740 -0.014 0.000 2.639 221 C HN 0.911 nan 8.230 nan 0.000 0.594 222 Q N 3.062 122.860 119.800 -0.004 0.000 2.416 222 Q HA 0.655 5.051 4.340 0.093 0.000 0.281 222 Q C -1.009 174.992 176.000 0.002 0.000 1.067 222 Q CA -0.480 55.322 55.803 -0.001 0.000 0.809 222 Q CB 2.523 31.265 28.738 0.007 0.000 1.418 222 Q HN 0.874 nan 8.270 nan 0.000 0.411 223 S N -0.542 115.158 115.700 0.001 0.000 2.579 223 S HA 0.674 5.200 4.470 0.093 0.000 0.272 223 S C -3.003 171.592 174.600 -0.007 0.000 1.141 223 S CA -1.696 56.503 58.200 -0.001 0.000 0.843 223 S CB 1.709 64.910 63.200 0.002 0.000 1.122 223 S HN 0.233 nan 8.310 nan 0.000 0.468 224 P HA 0.091 nan 4.420 nan 0.000 0.264 224 P C -0.071 177.221 177.300 -0.013 0.000 1.183 224 P CA 0.188 63.283 63.100 -0.009 0.000 0.763 224 P CB 0.178 31.872 31.700 -0.011 0.000 0.807 225 D N 2.242 122.634 120.400 -0.014 0.000 2.355 225 D HA 0.152 4.847 4.640 0.093 0.000 0.253 225 D C 0.871 177.170 176.300 -0.001 0.000 1.187 225 D CA 0.148 54.132 54.000 -0.027 0.000 0.900 225 D CB -0.909 39.886 40.800 -0.008 0.000 0.915 225 D HN 0.549 nan 8.370 nan 0.000 0.516 226 G N 1.217 110.027 108.800 0.017 0.000 2.730 226 G HA2 -0.248 3.767 3.960 0.093 0.000 0.686 226 G HA3 -0.248 3.767 3.960 0.093 0.000 0.686 226 G C 0.464 175.383 174.900 0.032 0.000 1.343 226 G CA -0.271 44.865 45.100 0.060 0.000 0.826 226 G HN 0.306 nan 8.290 nan 0.000 0.582 227 N N -0.167 118.549 118.700 0.028 0.000 2.520 227 N HA 0.057 4.853 4.740 0.093 0.000 0.185 227 N C 2.092 177.558 175.510 -0.074 0.000 1.068 227 N CA 2.236 55.269 53.050 -0.029 0.000 0.911 227 N CB -0.384 38.089 38.487 -0.024 0.000 0.961 227 N HN 1.318 nan 8.380 nan 0.000 0.446 228 G N -0.430 108.361 108.800 -0.015 0.000 2.598 228 G HA2 -0.013 4.003 3.960 0.093 0.000 0.215 228 G HA3 -0.013 4.003 3.960 0.093 0.000 0.215 228 G C 1.263 176.172 174.900 0.015 0.000 1.131 228 G CA 0.360 45.457 45.100 -0.006 0.000 0.785 228 G HN 0.491 nan 8.290 nan 0.000 0.539 229 G N 0.356 109.164 108.800 0.013 0.000 2.956 229 G HA2 0.073 4.088 3.960 0.093 0.000 0.207 229 G HA3 0.073 4.088 3.960 0.093 0.000 0.207 229 G C 1.435 176.342 174.900 0.011 0.000 1.162 229 G CA 0.210 45.340 45.100 0.051 0.000 0.796 229 G HN 0.434 nan 8.290 nan 0.000 0.527 230 L N -1.005 120.142 121.223 -0.127 0.000 2.056 230 L HA -0.044 4.352 4.340 0.093 0.000 0.207 230 L C 2.482 179.304 176.870 -0.079 0.000 1.078 230 L CA 1.304 56.062 54.840 -0.137 0.000 0.749 230 L CB -0.224 41.657 42.059 -0.295 0.000 0.901 230 L HN 0.349 nan 8.230 nan 0.000 0.433 231 Y N 0.309 120.680 120.300 0.117 0.000 2.128 231 Y HA -0.334 4.271 4.550 0.093 0.000 0.284 231 Y C 2.776 178.743 175.900 0.111 0.000 1.154 231 Y CA 1.951 60.129 58.100 0.130 0.000 1.149 231 Y CB -0.362 38.223 38.460 0.208 0.000 0.976 231 Y HN 0.177 nan 8.280 nan 0.000 0.505 232 K N 0.461 121.013 120.400 0.253 0.000 2.103 232 K HA -0.109 4.266 4.320 0.093 0.000 0.204 232 K C 2.301 178.987 176.600 0.145 0.000 1.052 232 K CA 0.938 57.331 56.287 0.177 0.000 0.945 232 K CB -0.273 32.325 32.500 0.164 0.000 0.722 232 K HN 0.247 nan 8.250 nan 0.000 0.443 233 A N 1.053 123.975 122.820 0.170 0.000 1.933 233 A HA -0.142 4.234 4.320 0.093 0.000 0.218 233 A C 1.973 179.676 177.584 0.199 0.000 1.175 233 A CA 1.083 53.263 52.037 0.239 0.000 0.628 233 A CB -0.536 18.662 19.000 0.329 0.000 0.814 233 A HN 0.299 nan 8.150 nan 0.000 0.444 234 L N 0.274 121.569 121.223 0.119 0.000 2.012 234 L HA -0.173 4.222 4.340 0.093 0.000 0.210 234 L C 2.761 179.565 176.870 -0.110 0.000 1.073 234 L CA 2.512 57.285 54.840 -0.112 0.000 0.748 234 L CB -0.725 41.300 42.059 -0.056 0.000 0.891 234 L HN 0.432 nan 8.230 nan 0.000 0.431 235 K N -0.880 119.512 120.400 -0.013 0.000 2.007 235 K HA -0.118 4.257 4.320 0.093 0.000 0.206 235 K C 1.793 178.386 176.600 -0.012 0.000 1.047 235 K CA 1.606 57.882 56.287 -0.019 0.000 0.937 235 K CB -0.730 31.779 32.500 0.015 0.000 0.718 235 K HN 0.493 nan 8.250 nan 0.000 0.438 236 D N 0.761 121.177 120.400 0.027 0.000 2.178 236 D HA -0.055 4.641 4.640 0.093 0.000 0.201 236 D C 1.253 177.571 176.300 0.030 0.000 0.980 236 D CA 1.023 55.045 54.000 0.037 0.000 0.842 236 D CB -0.304 40.536 40.800 0.067 0.000 0.948 236 D HN 0.402 nan 8.370 nan 0.000 0.472 237 N N 0.028 118.740 118.700 0.021 0.000 2.276 237 N HA 0.105 4.901 4.740 0.093 0.000 0.212 237 N C 0.906 176.375 175.510 -0.068 0.000 1.127 237 N CA 0.416 53.474 53.050 0.013 0.000 0.834 237 N CB 1.023 39.570 38.487 0.099 0.000 1.014 237 N HN 0.127 nan 8.380 nan 0.000 0.491 238 G N 1.451 110.203 108.800 -0.079 0.000 2.258 238 G HA2 -0.255 3.760 3.960 0.093 0.000 0.274 238 G HA3 -0.255 3.760 3.960 0.093 0.000 0.274 238 G C 0.998 175.796 174.900 -0.170 0.000 1.021 238 G CA 0.048 45.091 45.100 -0.095 0.000 0.798 238 G HN 0.299 nan 8.290 nan 0.000 0.507 239 I N -0.600 119.793 120.570 -0.295 0.000 2.333 239 I HA -0.016 4.210 4.170 0.093 0.000 0.246 239 I C 2.678 178.551 176.117 -0.406 0.000 1.106 239 I CA 1.366 62.377 61.300 -0.481 0.000 1.411 239 I CB -1.090 36.390 38.000 -0.866 0.000 1.082 239 I HN 0.343 nan 8.210 nan 0.000 0.420 240 L N 1.423 122.475 121.223 -0.285 0.000 2.046 240 L HA -0.203 4.192 4.340 0.093 0.000 0.208 240 L C 1.974 178.749 176.870 -0.158 0.000 1.077 240 L CA 1.978 56.695 54.840 -0.206 0.000 0.747 240 L CB -0.884 41.092 42.059 -0.138 0.000 0.896 240 L HN 0.124 nan 8.230 nan 0.000 0.432 241 D N -0.322 119.999 120.400 -0.131 0.000 2.104 241 D HA -0.223 4.473 4.640 0.093 0.000 0.194 241 D C 1.869 178.123 176.300 -0.078 0.000 0.994 241 D CA 1.587 55.535 54.000 -0.088 0.000 0.830 241 D CB -0.236 40.523 40.800 -0.069 0.000 0.959 241 D HN 0.474 nan 8.370 nan 0.000 0.452 242 D N -0.321 120.021 120.400 -0.097 0.000 2.144 242 D HA -0.075 4.620 4.640 0.093 0.000 0.199 242 D C 2.217 178.499 176.300 -0.029 0.000 0.984 242 D CA 0.478 54.454 54.000 -0.040 0.000 0.834 242 D CB -0.083 40.720 40.800 0.005 0.000 0.955 242 D HN 0.139 nan 8.370 nan 0.000 0.465 243 L N 0.210 121.367 121.223 -0.111 0.000 2.012 243 L HA -0.183 4.213 4.340 0.093 0.000 0.210 243 L C 2.190 179.040 176.870 -0.033 0.000 1.073 243 L CA 1.027 55.824 54.840 -0.072 0.000 0.748 243 L CB -0.633 41.347 42.059 -0.132 0.000 0.891 243 L HN 0.118 nan 8.230 nan 0.000 0.431 244 N N -0.216 118.454 118.700 -0.049 0.000 2.084 244 N HA -0.138 4.657 4.740 0.093 0.000 0.190 244 N C 2.004 177.505 175.510 -0.016 0.000 1.030 244 N CA 1.581 54.610 53.050 -0.034 0.000 0.849 244 N CB -0.363 38.098 38.487 -0.043 0.000 1.012 244 N HN 0.172 nan 8.380 nan 0.000 0.423 245 S N 0.764 116.456 115.700 -0.013 0.000 2.419 245 S HA -0.030 4.496 4.470 0.093 0.000 0.233 245 S C 1.523 176.132 174.600 0.015 0.000 1.016 245 S CA 1.065 59.265 58.200 -0.000 0.000 0.974 245 S CB 0.016 63.216 63.200 -0.000 0.000 0.786 245 S HN 0.353 nan 8.310 nan 0.000 0.492 246 K N 0.205 120.622 120.400 0.028 0.000 2.374 246 K HA 0.231 4.607 4.320 0.093 0.000 0.196 246 K C 0.966 177.589 176.600 0.038 0.000 1.023 246 K CA 0.295 56.609 56.287 0.045 0.000 1.103 246 K CB 0.354 32.902 32.500 0.080 0.000 0.848 246 K HN 0.333 nan 8.250 nan 0.000 0.528 247 G N 2.040 110.853 108.800 0.020 0.000 2.221 247 G HA2 -0.226 3.789 3.960 0.093 0.000 0.265 247 G HA3 -0.226 3.789 3.960 0.093 0.000 0.265 247 G C -0.001 174.906 174.900 0.012 0.000 1.041 247 G CA -0.223 44.884 45.100 0.011 0.000 0.807 247 G HN 0.142 nan 8.290 nan 0.000 0.502 248 I N -0.297 120.284 120.570 0.018 0.000 2.441 248 I HA 0.234 4.459 4.170 0.093 0.000 0.287 248 I C 1.251 177.340 176.117 -0.046 0.000 1.049 248 I CA 0.224 61.537 61.300 0.022 0.000 1.381 248 I CB 1.285 39.325 38.000 0.067 0.000 1.409 248 I HN 0.205 nan 8.210 nan 0.000 0.523 249 K N 4.449 124.771 120.400 -0.130 0.000 2.399 249 K HA 0.175 4.550 4.320 0.093 0.000 0.196 249 K C -0.168 176.160 176.600 -0.453 0.000 1.103 249 K CA 0.127 56.215 56.287 -0.332 0.000 0.986 249 K CB 0.559 32.751 32.500 -0.514 0.000 0.952 249 K HN 0.532 nan 8.250 nan 0.000 0.541 250 H N 0.562 119.703 119.070 0.119 0.000 2.589 250 H HA 0.352 4.963 4.556 0.090 0.000 0.351 250 H C -0.761 174.637 175.328 0.117 0.000 1.074 250 H CA -0.697 55.435 56.048 0.141 0.000 1.203 250 H CB 1.914 31.838 29.762 0.269 0.000 1.558 250 H HN -0.119 nan 8.280 nan 0.000 0.522 251 I N 2.613 123.259 120.570 0.126 0.000 2.436 251 I HA 0.122 4.347 4.170 0.093 0.000 0.289 251 I C 0.183 176.502 176.117 0.336 0.000 1.010 251 I CA -0.259 61.164 61.300 0.205 0.000 1.098 251 I CB 1.620 39.701 38.000 0.136 0.000 1.266 251 I HN 0.632 nan 8.210 nan 0.000 0.434 252 H N 7.391 126.666 119.070 0.342 0.000 2.551 252 H HA 0.561 5.173 4.556 0.093 0.000 0.321 252 H C -1.221 174.413 175.328 0.510 0.000 1.028 252 H CA -0.730 55.593 56.048 0.458 0.000 1.215 252 H CB 1.312 31.343 29.762 0.449 0.000 1.414 252 H HN 0.485 nan 8.280 nan 0.000 0.480 253 M N 6.070 126.026 119.600 0.592 0.000 2.294 253 M HA 0.252 4.787 4.480 0.093 0.000 0.335 253 M C -1.410 175.086 176.300 0.327 0.000 1.079 253 M CA -0.922 54.615 55.300 0.394 0.000 0.982 253 M CB 1.764 34.662 32.600 0.496 0.000 1.651 253 M HN 0.601 nan 8.290 nan 0.000 0.437 254 Y N 0.226 120.558 120.300 0.054 0.000 2.655 254 Y HA 0.675 5.279 4.550 0.091 0.000 0.336 254 Y C -1.210 174.756 175.900 0.110 0.000 1.154 254 Y CA -1.553 56.574 58.100 0.046 0.000 1.055 254 Y CB 0.781 39.218 38.460 -0.038 0.000 1.295 254 Y HN 0.714 nan 8.280 nan 0.000 0.465 255 C N 2.270 121.651 119.300 0.135 0.000 2.452 255 C HA 0.357 4.872 4.460 0.093 0.000 0.379 255 C C 1.761 176.837 174.990 0.144 0.000 1.275 255 C CA 0.073 59.141 59.018 0.083 0.000 2.056 255 C CB 0.528 28.359 27.740 0.151 0.000 2.506 255 C HN 0.943 nan 8.230 nan 0.000 0.560 256 V N 4.462 124.401 119.914 0.042 0.000 2.626 256 V HA -0.104 4.071 4.120 0.093 0.000 0.252 256 V C 1.919 178.071 176.094 0.096 0.000 1.067 256 V CA 2.785 65.148 62.300 0.105 0.000 1.081 256 V CB -0.455 31.377 31.823 0.014 0.000 0.686 256 V HN 1.055 nan 8.190 nan 0.000 0.468 257 D N -0.571 119.863 120.400 0.057 0.000 2.363 257 D HA -0.072 4.624 4.640 0.093 0.000 0.226 257 D C 0.867 177.179 176.300 0.021 0.000 1.020 257 D CA 0.127 54.129 54.000 0.003 0.000 0.892 257 D CB -0.713 40.063 40.800 -0.040 0.000 0.900 257 D HN 0.462 nan 8.370 nan 0.000 0.531 258 N N 0.636 119.403 118.700 0.113 0.000 2.439 258 N HA 0.001 4.797 4.740 0.093 0.000 0.243 258 N C 1.053 176.623 175.510 0.100 0.000 1.088 258 N CA -0.422 52.687 53.050 0.099 0.000 0.940 258 N CB 0.582 39.205 38.487 0.226 0.000 1.180 258 N HN 0.337 nan 8.380 nan 0.000 0.505 259 C N 2.711 122.046 119.300 0.057 0.000 2.449 259 C HA 0.120 4.636 4.460 0.093 0.000 0.283 259 C C 1.672 176.775 174.990 0.188 0.000 1.453 259 C CA -0.097 58.994 59.018 0.121 0.000 1.779 259 C CB -1.291 26.509 27.740 0.099 0.000 1.779 259 C HN 0.709 nan 8.230 nan 0.000 0.546 260 L N 0.467 121.745 121.223 0.092 0.000 2.640 260 L HA 0.242 4.637 4.340 0.093 0.000 0.230 260 L C 1.258 178.124 176.870 -0.006 0.000 1.123 260 L CA -0.155 54.693 54.840 0.012 0.000 0.900 260 L CB -0.258 41.786 42.059 -0.026 0.000 1.146 260 L HN 0.171 nan 8.230 nan 0.000 0.484 261 V N 2.420 122.351 119.914 0.029 0.000 2.625 261 V HA -0.142 4.033 4.120 0.093 0.000 0.305 261 V C 0.603 176.631 176.094 -0.109 0.000 1.055 261 V CA 0.464 62.752 62.300 -0.020 0.000 1.209 261 V CB 0.256 32.057 31.823 -0.036 0.000 0.877 261 V HN 0.315 nan 8.190 nan 0.000 0.489 262 K N 6.367 126.730 120.400 -0.063 0.000 2.150 262 K HA 0.305 4.681 4.320 0.093 0.000 0.261 262 K C -0.436 176.230 176.600 0.109 0.000 1.127 262 K CA -0.404 55.859 56.287 -0.038 0.000 0.989 262 K CB 0.667 33.201 32.500 0.057 0.000 1.475 262 K HN 0.608 nan 8.250 nan 0.000 0.391 263 V N 2.092 121.996 119.914 -0.017 0.000 2.673 263 V HA -0.026 4.149 4.120 0.093 0.000 0.303 263 V C 1.118 177.380 176.094 0.279 0.000 1.046 263 V CA 0.418 62.700 62.300 -0.030 0.000 1.126 263 V CB 0.494 32.167 31.823 -0.250 0.000 0.934 263 V HN 0.959 nan 8.190 nan 0.000 0.487 264 A N 3.551 126.691 122.820 0.533 0.000 2.745 264 A HA -0.200 4.175 4.320 0.093 0.000 0.296 264 A C 0.601 178.308 177.584 0.205 0.000 1.500 264 A CA 0.845 53.103 52.037 0.367 0.000 0.766 264 A CB -1.757 17.370 19.000 0.212 0.000 1.030 264 A HN 1.137 nan 8.150 nan 0.000 0.489 265 D N 0.124 120.640 120.400 0.193 0.000 2.479 265 D HA 0.158 4.853 4.640 0.093 0.000 0.257 265 D C 0.014 176.362 176.300 0.080 0.000 1.230 265 D CA -0.787 53.308 54.000 0.159 0.000 0.912 265 D CB 0.701 41.576 40.800 0.126 0.000 1.130 265 D HN 0.360 nan 8.370 nan 0.000 0.515 266 P HA -0.164 nan 4.420 nan 0.000 0.218 266 P C 1.819 179.133 177.300 0.023 0.000 1.148 266 P CA 0.891 63.969 63.100 -0.036 0.000 0.822 266 P CB 0.302 31.928 31.700 -0.124 0.000 0.784 267 I N -1.556 119.064 120.570 0.083 0.000 2.179 267 I HA -0.234 3.991 4.170 0.093 0.000 0.242 267 I C 2.517 178.758 176.117 0.207 0.000 1.088 267 I CA 1.243 62.652 61.300 0.182 0.000 1.357 267 I CB -0.741 37.366 38.000 0.177 0.000 1.051 267 I HN -0.162 nan 8.210 nan 0.000 0.409 268 F N 1.727 121.663 119.950 -0.024 0.000 2.102 268 F HA -0.199 4.380 4.527 0.087 0.000 0.298 268 F C 2.261 178.006 175.800 -0.091 0.000 1.105 268 F CA 1.517 59.488 58.000 -0.048 0.000 1.239 268 F CB -0.469 38.468 39.000 -0.104 0.000 0.991 268 F HN -0.081 nan 8.300 nan 0.000 0.474 269 I N -0.256 120.251 120.570 -0.106 0.000 2.252 269 I HA -0.201 4.025 4.170 0.093 0.000 0.245 269 I C 2.744 178.604 176.117 -0.428 0.000 1.102 269 I CA 1.385 62.493 61.300 -0.321 0.000 1.385 269 I CB -1.231 36.675 38.000 -0.157 0.000 1.064 269 I HN 0.230 nan 8.210 nan 0.000 0.414 270 G N 0.651 109.299 108.800 -0.254 0.000 2.422 270 G HA2 -0.322 3.694 3.960 0.093 0.000 0.218 270 G HA3 -0.322 3.694 3.960 0.093 0.000 0.218 270 G C 1.599 176.118 174.900 -0.636 0.000 1.146 270 G CA 0.554 45.487 45.100 -0.278 0.000 0.769 270 G HN 0.345 nan 8.290 nan 0.000 0.547 271 F N 2.618 121.990 119.950 -0.963 0.000 2.095 271 F HA 0.007 4.586 4.527 0.087 0.000 0.298 271 F C 2.697 177.870 175.800 -1.044 0.000 1.104 271 F CA 1.367 58.482 58.000 -1.476 0.000 1.232 271 F CB -0.559 37.856 39.000 -0.974 0.000 0.987 271 F HN 0.221 nan 8.300 nan 0.000 0.475 272 A N 0.655 122.849 122.820 -1.042 0.000 1.930 272 A HA -0.096 4.279 4.320 0.093 0.000 0.217 272 A C 2.370 179.399 177.584 -0.925 0.000 1.175 272 A CA 1.837 53.171 52.037 -1.172 0.000 0.627 272 A CB -1.156 16.729 19.000 -1.859 0.000 0.815 272 A HN 0.519 nan 8.150 nan 0.000 0.443 273 I N -0.357 119.769 120.570 -0.740 0.000 2.202 273 I HA -0.235 3.990 4.170 0.093 0.000 0.242 273 I C 3.003 178.850 176.117 -0.450 0.000 1.091 273 I CA 0.975 61.992 61.300 -0.472 0.000 1.368 273 I CB -0.438 37.342 38.000 -0.366 0.000 1.058 273 I HN 0.339 nan 8.210 nan 0.000 0.410 274 A N 0.820 123.330 122.820 -0.516 0.000 1.917 274 A HA -0.207 4.169 4.320 0.093 0.000 0.219 274 A C 2.126 179.423 177.584 -0.479 0.000 1.182 274 A CA 1.710 53.514 52.037 -0.388 0.000 0.633 274 A CB -0.303 18.491 19.000 -0.344 0.000 0.819 274 A HN 0.277 nan 8.150 nan 0.000 0.448 275 K N -1.300 118.589 120.400 -0.853 0.000 2.367 275 K HA 0.082 4.458 4.320 0.093 0.000 0.194 275 K C 0.064 176.117 176.600 -0.911 0.000 1.027 275 K CA 0.538 56.190 56.287 -1.060 0.000 1.075 275 K CB 0.349 31.580 32.500 -2.114 0.000 0.845 275 K HN 0.277 nan 8.250 nan 0.000 0.529 276 K N 0.460 120.461 120.400 -0.664 0.000 3.117 276 K HA -0.139 4.237 4.320 0.093 0.000 0.269 276 K C -0.053 176.385 176.600 -0.270 0.000 1.098 276 K CA 0.591 56.659 56.287 -0.365 0.000 0.785 276 K CB -2.959 29.406 32.500 -0.225 0.000 1.242 276 K HN 0.349 nan 8.250 nan 0.000 0.491 277 F N 0.536 120.257 119.950 -0.381 0.000 2.429 277 F HA 0.165 4.727 4.527 0.058 0.000 0.348 277 F C 1.884 177.565 175.800 -0.199 0.000 1.109 277 F CA -0.660 57.121 58.000 -0.365 0.000 1.232 277 F CB 0.725 39.382 39.000 -0.573 0.000 1.157 277 F HN 0.025 nan 8.300 nan 0.000 0.564 278 D N 1.513 121.882 120.400 -0.051 0.000 2.213 278 D HA 0.059 4.754 4.640 0.093 0.000 0.205 278 D C -0.136 176.017 176.300 -0.245 0.000 0.961 278 D CA 1.034 54.882 54.000 -0.253 0.000 0.853 278 D CB 0.424 40.674 40.800 -0.917 0.000 0.967 278 D HN 0.175 nan 8.370 nan 0.000 0.496 279 L N -0.554 120.504 121.223 -0.275 0.000 2.482 279 L HA 0.636 5.032 4.340 0.093 0.000 0.263 279 L C -1.942 174.663 176.870 -0.442 0.000 0.957 279 L CA -0.577 54.097 54.840 -0.277 0.000 0.836 279 L CB 2.075 43.913 42.059 -0.369 0.000 1.324 279 L HN -0.112 nan 8.230 nan 0.000 0.406 280 A N 2.162 124.775 122.820 -0.344 0.000 2.594 280 A HA 0.914 5.289 4.320 0.093 0.000 0.291 280 A C -1.026 176.538 177.584 -0.033 0.000 1.105 280 A CA -0.267 51.477 52.037 -0.488 0.000 0.694 280 A CB 2.030 20.828 19.000 -0.336 0.000 1.291 280 A HN 0.722 nan 8.150 nan 0.000 0.410 281 T N -0.038 114.578 114.554 0.103 0.000 2.853 281 T HA 0.517 4.922 4.350 0.093 0.000 0.311 281 T C -1.389 173.439 174.700 0.214 0.000 1.307 281 T CA -0.528 61.819 62.100 0.413 0.000 1.019 281 T CB 1.187 70.320 68.868 0.440 0.000 1.264 281 T HN 0.613 nan 8.240 nan 0.000 0.497 282 K N 1.775 122.172 120.400 -0.006 0.000 2.138 282 K HA 0.761 5.136 4.320 0.093 0.000 0.263 282 K C -0.611 175.907 176.600 -0.136 0.000 0.965 282 K CA -0.801 55.354 56.287 -0.220 0.000 0.868 282 K CB 1.812 34.028 32.500 -0.473 0.000 1.083 282 K HN 0.490 nan 8.250 nan 0.000 0.443 283 V N -1.060 118.764 119.914 -0.149 0.000 3.159 283 V HA 0.766 4.941 4.120 0.093 0.000 0.308 283 V C -0.643 175.350 176.094 -0.168 0.000 1.190 283 V CA -0.940 61.268 62.300 -0.154 0.000 1.037 283 V CB 1.702 33.472 31.823 -0.087 0.000 1.060 283 V HN 0.576 nan 8.190 nan 0.000 0.437 284 V N -0.446 119.359 119.914 -0.182 0.000 3.102 284 V HA 0.693 4.868 4.120 0.093 0.000 0.312 284 V C -0.046 175.993 176.094 -0.093 0.000 1.135 284 V CA -1.165 61.058 62.300 -0.128 0.000 1.022 284 V CB 1.848 33.601 31.823 -0.117 0.000 1.056 284 V HN 1.308 nan 8.190 nan 0.000 0.436 285 R N 1.742 122.208 120.500 -0.056 0.000 2.449 285 R HA 0.212 4.608 4.340 0.093 0.000 0.296 285 R C 0.272 176.556 176.300 -0.026 0.000 1.047 285 R CA -0.233 55.844 56.100 -0.039 0.000 1.018 285 R CB 0.417 30.702 30.300 -0.025 0.000 0.962 285 R HN 0.900 nan 8.270 nan 0.000 0.428 286 K N 3.352 123.735 120.400 -0.027 0.000 2.524 286 K HA -0.143 4.233 4.320 0.093 0.000 0.279 286 K C 1.144 177.749 176.600 0.007 0.000 0.993 286 K CA 0.297 56.576 56.287 -0.012 0.000 1.030 286 K CB 0.613 33.105 32.500 -0.014 0.000 0.891 286 K HN 0.636 nan 8.250 nan 0.000 0.488 287 R N 1.805 122.319 120.500 0.024 0.000 2.073 287 R HA -0.154 4.241 4.340 0.093 0.000 0.234 287 R C -0.209 176.100 176.300 0.015 0.000 1.134 287 R CA 2.501 58.615 56.100 0.024 0.000 0.952 287 R CB 0.115 30.436 30.300 0.035 0.000 0.850 287 R HN 0.927 nan 8.270 nan 0.000 0.433 288 D N -4.570 115.839 120.400 0.014 0.000 2.738 288 D HA 0.224 4.919 4.640 0.093 0.000 0.308 288 D C -0.015 176.296 176.300 0.018 0.000 1.311 288 D CA -0.098 53.911 54.000 0.015 0.000 0.799 288 D CB 0.319 41.127 40.800 0.013 0.000 1.332 288 D HN -0.055 nan 8.370 nan 0.000 0.441 289 A N -0.037 122.798 122.820 0.024 0.000 1.917 289 A HA -0.228 4.148 4.320 0.093 0.000 0.219 289 A C 1.526 179.130 177.584 0.032 0.000 1.182 289 A CA 2.099 54.155 52.037 0.033 0.000 0.633 289 A CB -1.119 17.904 19.000 0.037 0.000 0.819 289 A HN 0.569 nan 8.150 nan 0.000 0.448 290 N N -0.274 118.440 118.700 0.023 0.000 2.398 290 N HA 0.084 4.880 4.740 0.093 0.000 0.188 290 N C 0.376 175.883 175.510 -0.006 0.000 1.122 290 N CA 0.144 53.205 53.050 0.019 0.000 0.866 290 N CB 0.008 38.505 38.487 0.015 0.000 0.970 290 N HN 0.688 nan 8.380 nan 0.000 0.462 291 E N 0.567 120.760 120.200 -0.011 0.000 2.465 291 E HA 0.005 4.411 4.350 0.093 0.000 0.260 291 E C -0.538 176.003 176.600 -0.099 0.000 0.980 291 E CA 0.176 56.551 56.400 -0.042 0.000 0.927 291 E CB 0.385 30.079 29.700 -0.010 0.000 0.934 291 E HN 0.073 nan 8.360 nan 0.000 0.459 292 S N 3.995 119.549 115.700 -0.244 0.000 4.139 292 S HA 0.173 4.699 4.470 0.093 0.000 0.215 292 S C -0.510 173.702 174.600 -0.646 0.000 1.390 292 S CA -0.566 57.237 58.200 -0.663 0.000 0.885 292 S CB -0.586 62.053 63.200 -0.934 0.000 1.560 292 S HN 0.405 nan 8.310 nan 0.000 0.449 293 V N -0.618 119.186 119.914 -0.183 0.000 2.841 293 V HA 0.946 5.122 4.120 0.093 0.000 0.310 293 V C 0.469 176.631 176.094 0.115 0.000 1.090 293 V CA -1.101 61.199 62.300 -0.001 0.000 0.930 293 V CB 1.165 32.971 31.823 -0.028 0.000 1.014 293 V HN 0.459 nan 8.190 nan 0.000 0.425 294 G N 2.210 111.058 108.800 0.080 0.000 2.606 294 G HA2 0.574 4.590 3.960 0.093 0.000 0.252 294 G HA3 0.574 4.590 3.960 0.093 0.000 0.252 294 G C -0.844 173.964 174.900 -0.152 0.000 1.206 294 G CA -0.652 44.396 45.100 -0.086 0.000 0.861 294 G HN 0.832 nan 8.290 nan 0.000 0.561 295 L N 0.265 121.357 121.223 -0.218 0.000 2.385 295 L HA 0.362 4.757 4.340 0.093 0.000 0.273 295 L C -0.772 175.940 176.870 -0.263 0.000 0.990 295 L CA -0.891 53.830 54.840 -0.199 0.000 0.821 295 L CB 2.186 44.151 42.059 -0.157 0.000 1.279 295 L HN 0.263 nan 8.230 nan 0.000 0.412 296 I N 4.250 124.712 120.570 -0.180 0.000 2.352 296 I HA 0.329 4.554 4.170 0.093 0.000 0.290 296 I C 0.337 176.362 176.117 -0.153 0.000 1.036 296 I CA 0.153 61.377 61.300 -0.126 0.000 1.336 296 I CB 1.156 39.182 38.000 0.044 0.000 1.407 296 I HN 0.331 nan 8.210 nan 0.000 0.497 297 V N 4.544 124.327 119.914 -0.218 0.000 3.084 297 V HA 0.683 4.858 4.120 0.093 0.000 0.311 297 V C -1.297 174.713 176.094 -0.140 0.000 1.311 297 V CA -1.094 61.084 62.300 -0.204 0.000 1.062 297 V CB 1.951 33.581 31.823 -0.322 0.000 1.113 297 V HN 0.441 nan 8.190 nan 0.000 0.468 298 L N 1.854 123.047 121.223 -0.050 0.000 2.325 298 L HA 0.661 5.056 4.340 0.093 0.000 0.281 298 L C -0.614 176.347 176.870 0.151 0.000 1.004 298 L CA 0.008 54.855 54.840 0.012 0.000 0.823 298 L CB 1.211 43.288 42.059 0.030 0.000 1.236 298 L HN 0.916 nan 8.230 nan 0.000 0.415 299 D N 3.456 123.961 120.400 0.175 0.000 2.339 299 D HA 0.066 4.762 4.640 0.093 0.000 0.256 299 D C 0.695 177.097 176.300 0.170 0.000 1.214 299 D CA 0.320 54.514 54.000 0.324 0.000 0.877 299 D CB 1.210 42.173 40.800 0.271 0.000 1.111 299 D HN 0.704 nan 8.370 nan 0.000 0.478 300 Q N 2.342 122.231 119.800 0.148 0.000 2.170 300 Q HA -0.143 4.253 4.340 0.093 0.000 0.203 300 Q C 0.821 176.850 176.000 0.047 0.000 0.976 300 Q CA 1.036 56.887 55.803 0.081 0.000 0.858 300 Q CB 0.281 29.059 28.738 0.066 0.000 0.907 300 Q HN 0.554 nan 8.270 nan 0.000 0.433 301 D N 0.719 121.138 120.400 0.031 0.000 2.123 301 D HA -0.158 4.538 4.640 0.093 0.000 0.196 301 D C 1.123 177.441 176.300 0.030 0.000 0.992 301 D CA 1.536 55.546 54.000 0.017 0.000 0.833 301 D CB -0.291 40.510 40.800 0.000 0.000 0.954 301 D HN 0.599 nan 8.370 nan 0.000 0.455 302 N N -0.717 118.011 118.700 0.046 0.000 2.171 302 N HA -0.027 4.768 4.740 0.093 0.000 0.212 302 N C -0.464 175.073 175.510 0.044 0.000 1.184 302 N CA -0.181 52.895 53.050 0.044 0.000 0.888 302 N CB 0.568 39.085 38.487 0.050 0.000 1.038 302 N HN -0.278 nan 8.380 nan 0.000 0.517 303 Q N 0.610 120.438 119.800 0.047 0.000 2.452 303 Q HA -0.131 4.265 4.340 0.093 0.000 0.318 303 Q C -1.030 174.985 176.000 0.024 0.000 1.386 303 Q CA 1.206 57.033 55.803 0.039 0.000 0.872 303 Q CB -1.014 27.746 28.738 0.036 0.000 1.151 303 Q HN 0.560 nan 8.270 nan 0.000 0.417 304 K N 0.341 120.752 120.400 0.019 0.000 2.435 304 K HA 0.579 4.954 4.320 0.093 0.000 0.251 304 K C -2.439 174.110 176.600 -0.085 0.000 0.954 304 K CA -1.887 54.387 56.287 -0.022 0.000 0.820 304 K CB 2.355 34.867 32.500 0.020 0.000 1.292 304 K HN -0.098 nan 8.250 nan 0.000 0.436 305 P HA 0.269 nan 4.420 nan 0.000 0.278 305 P C -0.275 176.894 177.300 -0.218 0.000 1.238 305 P CA -0.311 62.542 63.100 -0.410 0.000 0.794 305 P CB 0.769 31.761 31.700 -1.180 0.000 0.955 306 C N 0.058 119.270 119.300 -0.146 0.000 3.259 306 C HA 0.684 5.200 4.460 0.093 0.000 0.344 306 C C -1.193 173.666 174.990 -0.218 0.000 1.401 306 C CA -0.687 58.288 59.018 -0.071 0.000 1.219 306 C CB 1.005 28.721 27.740 -0.040 0.000 1.521 306 C HN 0.350 nan 8.230 nan 0.000 0.455 307 V N 1.543 121.228 119.914 -0.381 0.000 2.604 307 V HA 0.641 4.816 4.120 0.093 0.000 0.305 307 V C -0.595 175.154 176.094 -0.575 0.000 1.043 307 V CA -0.190 61.717 62.300 -0.656 0.000 0.888 307 V CB 1.582 32.575 31.823 -1.384 0.000 0.995 307 V HN 0.884 nan 8.190 nan 0.000 0.429 308 I N 3.575 123.849 120.570 -0.493 0.000 2.328 308 I HA 0.539 4.764 4.170 0.093 0.000 0.287 308 I C 0.101 176.092 176.117 -0.210 0.000 1.012 308 I CA -0.248 60.881 61.300 -0.285 0.000 1.195 308 I CB 1.261 39.069 38.000 -0.319 0.000 1.350 308 I HN 0.737 nan 8.210 nan 0.000 0.464 309 E N 5.075 125.218 120.200 -0.094 0.000 2.418 309 E HA -0.023 4.382 4.350 0.093 0.000 0.261 309 E C 0.293 176.851 176.600 -0.069 0.000 1.070 309 E CA 0.477 56.819 56.400 -0.096 0.000 0.931 309 E CB 0.381 30.056 29.700 -0.043 0.000 0.954 309 E HN 0.554 nan 8.360 nan 0.000 0.439 310 Y N 1.051 121.341 120.300 -0.016 0.000 2.421 310 Y HA -0.034 4.571 4.550 0.091 0.000 0.292 310 Y C 1.487 177.415 175.900 0.046 0.000 1.136 310 Y CA 0.880 58.985 58.100 0.008 0.000 1.255 310 Y CB -0.417 38.041 38.460 -0.003 0.000 0.991 310 Y HN 0.312 nan 8.280 nan 0.000 0.552 311 S N -0.840 114.612 115.700 -0.413 0.000 2.577 311 S HA 0.181 4.706 4.470 0.093 0.000 0.219 311 S C 0.703 175.291 174.600 -0.020 0.000 0.962 311 S CA 0.052 58.140 58.200 -0.187 0.000 0.921 311 S CB -0.206 62.796 63.200 -0.330 0.000 0.789 311 S HN 0.678 nan 8.310 nan 0.000 0.497 312 E N 0.126 120.338 120.200 0.020 0.000 2.702 312 E HA 0.370 4.776 4.350 0.093 0.000 0.225 312 E C -0.265 176.400 176.600 0.109 0.000 0.942 312 E CA -0.205 56.248 56.400 0.089 0.000 1.210 312 E CB 0.784 30.574 29.700 0.149 0.000 1.143 312 E HN 0.504 nan 8.360 nan 0.000 0.544 313 I N 2.436 123.067 120.570 0.101 0.000 2.532 313 I HA 0.122 4.347 4.170 0.093 0.000 0.292 313 I C 0.411 176.596 176.117 0.112 0.000 1.014 313 I CA -0.372 61.003 61.300 0.125 0.000 1.340 313 I CB 0.979 39.045 38.000 0.110 0.000 1.422 313 I HN -0.020 nan 8.210 nan 0.000 0.528 314 S N 4.624 120.393 115.700 0.116 0.000 2.580 314 S HA 0.227 4.753 4.470 0.093 0.000 0.274 314 S C 0.984 175.636 174.600 0.086 0.000 1.329 314 S CA 0.148 58.402 58.200 0.089 0.000 1.036 314 S CB 1.663 64.909 63.200 0.078 0.000 0.919 314 S HN 0.811 nan 8.310 nan 0.000 0.515 315 Q N 1.422 121.264 119.800 0.070 0.000 2.096 315 Q HA -0.071 4.325 4.340 0.093 0.000 0.204 315 Q C 2.471 178.509 176.000 0.064 0.000 0.982 315 Q CA 2.694 58.536 55.803 0.065 0.000 0.850 315 Q CB -2.184 26.585 28.738 0.053 0.000 0.901 315 Q HN 1.173 nan 8.270 nan 0.000 0.422 316 E N 0.106 120.341 120.200 0.059 0.000 2.110 316 E HA 0.013 4.419 4.350 0.093 0.000 0.193 316 E C 2.036 178.681 176.600 0.075 0.000 0.988 316 E CA 1.510 57.943 56.400 0.055 0.000 0.804 316 E CB -0.553 29.172 29.700 0.043 0.000 0.745 316 E HN 0.615 nan 8.360 nan 0.000 0.458 317 L N -0.084 121.197 121.223 0.096 0.000 2.131 317 L HA 0.313 4.709 4.340 0.093 0.000 0.206 317 L C 2.749 179.701 176.870 0.137 0.000 1.087 317 L CA 1.766 56.689 54.840 0.137 0.000 0.767 317 L CB -0.401 41.762 42.059 0.174 0.000 0.917 317 L HN 0.321 nan 8.230 nan 0.000 0.441 318 A N -0.832 122.054 122.820 0.109 0.000 2.015 318 A HA -0.136 4.239 4.320 0.093 0.000 0.219 318 A C 1.836 179.471 177.584 0.085 0.000 1.163 318 A CA 1.606 53.698 52.037 0.093 0.000 0.646 318 A CB -0.548 18.502 19.000 0.084 0.000 0.806 318 A HN 0.611 nan 8.150 nan 0.000 0.448 319 N N -0.568 118.181 118.700 0.082 0.000 2.236 319 N HA 0.023 4.819 4.740 0.093 0.000 0.196 319 N C 0.185 175.742 175.510 0.078 0.000 1.114 319 N CA -0.010 53.082 53.050 0.070 0.000 0.859 319 N CB 0.274 38.794 38.487 0.054 0.000 0.982 319 N HN 0.459 nan 8.380 nan 0.000 0.493 320 K N 2.110 122.574 120.400 0.106 0.000 2.451 320 K HA 0.000 4.376 4.320 0.093 0.000 0.280 320 K C -0.243 176.433 176.600 0.127 0.000 1.020 320 K CA 0.212 56.562 56.287 0.105 0.000 1.008 320 K CB 0.599 33.182 32.500 0.138 0.000 0.917 320 K HN -0.236 nan 8.250 nan 0.000 0.478 321 K N 2.747 123.190 120.400 0.071 0.000 2.185 321 K HA 0.043 4.418 4.320 0.093 0.000 0.271 321 K C -0.310 176.343 176.600 0.089 0.000 1.013 321 K CA -0.687 55.646 56.287 0.077 0.000 0.943 321 K CB 0.900 33.422 32.500 0.037 0.000 0.998 321 K HN 0.681 nan 8.250 nan 0.000 0.468 322 D N 1.820 122.308 120.400 0.146 0.000 2.371 322 D HA 0.147 4.842 4.640 0.093 0.000 0.256 322 D C -1.639 174.704 176.300 0.072 0.000 1.193 322 D CA -2.226 51.898 54.000 0.207 0.000 0.881 322 D CB 1.463 42.405 40.800 0.237 0.000 1.143 322 D HN 0.089 nan 8.370 nan 0.000 0.473 323 P HA -0.149 nan 4.420 nan 0.000 0.216 323 P C 0.942 178.250 177.300 0.013 0.000 1.150 323 P CA 1.298 64.371 63.100 -0.045 0.000 0.843 323 P CB 0.283 31.913 31.700 -0.116 0.000 0.787 324 Q N -1.899 117.935 119.800 0.057 0.000 2.432 324 Q HA -0.005 4.390 4.340 0.093 0.000 0.205 324 Q C 0.051 176.079 176.000 0.047 0.000 0.945 324 Q CA 0.560 56.395 55.803 0.053 0.000 0.924 324 Q CB 0.142 28.922 28.738 0.070 0.000 1.016 324 Q HN 0.180 nan 8.270 nan 0.000 0.503 325 D N -1.629 118.804 120.400 0.054 0.000 2.591 325 D HA 0.207 4.902 4.640 0.093 0.000 0.222 325 D C 0.151 176.477 176.300 0.044 0.000 1.360 325 D CA 0.098 54.124 54.000 0.044 0.000 0.967 325 D CB 1.044 41.871 40.800 0.045 0.000 1.456 325 D HN 0.006 nan 8.370 nan 0.000 0.588 326 S N 1.482 117.200 115.700 0.030 0.000 2.419 326 S HA -0.140 4.386 4.470 0.093 0.000 0.233 326 S C 1.605 176.222 174.600 0.030 0.000 1.016 326 S CA 1.861 60.077 58.200 0.026 0.000 0.974 326 S CB -0.211 62.999 63.200 0.016 0.000 0.786 326 S HN 0.465 nan 8.310 nan 0.000 0.492 327 S N 0.346 116.063 115.700 0.029 0.000 2.561 327 S HA 0.158 4.684 4.470 0.093 0.000 0.225 327 S C 0.562 175.181 174.600 0.033 0.000 0.977 327 S CA -0.104 58.112 58.200 0.027 0.000 0.926 327 S CB -0.058 63.154 63.200 0.021 0.000 0.769 327 S HN 0.615 nan 8.310 nan 0.000 0.533 328 K N 0.602 121.029 120.400 0.045 0.000 2.221 328 K HA 0.579 4.954 4.320 0.093 0.000 0.243 328 K C -0.922 175.724 176.600 0.076 0.000 0.968 328 K CA -0.824 55.494 56.287 0.053 0.000 0.846 328 K CB 1.353 33.886 32.500 0.054 0.000 1.141 328 K HN 0.070 nan 8.250 nan 0.000 0.434 329 L N 2.392 123.659 121.223 0.073 0.000 2.326 329 L HA 0.144 4.540 4.340 0.093 0.000 0.278 329 L C 1.158 178.116 176.870 0.147 0.000 1.092 329 L CA -0.333 54.567 54.840 0.100 0.000 0.810 329 L CB 0.323 42.421 42.059 0.066 0.000 1.153 329 L HN 0.663 nan 8.230 nan 0.000 0.439 330 F N 3.969 123.934 119.950 0.024 0.000 2.069 330 F HA -0.121 4.464 4.527 0.096 0.000 0.298 330 F C 0.960 176.776 175.800 0.028 0.000 1.113 330 F CA 1.272 59.289 58.000 0.029 0.000 1.214 330 F CB 0.067 39.090 39.000 0.038 0.000 0.978 330 F HN 0.214 nan 8.300 nan 0.000 0.474 331 L N 2.527 123.715 121.223 -0.058 0.000 2.288 331 L HA 0.298 4.693 4.340 0.093 0.000 0.283 331 L C 0.723 177.541 176.870 -0.086 0.000 1.072 331 L CA -0.164 54.572 54.840 -0.174 0.000 0.862 331 L CB 0.487 42.498 42.059 -0.080 0.000 1.245 331 L HN 0.221 nan 8.230 nan 0.000 0.432 332 R N 1.535 121.973 120.500 -0.104 0.000 2.572 332 R HA 0.381 4.776 4.340 0.093 0.000 0.370 332 R C 0.228 176.483 176.300 -0.075 0.000 1.005 332 R CA -0.296 55.766 56.100 -0.063 0.000 1.146 332 R CB 0.559 30.838 30.300 -0.035 0.000 1.390 332 R HN 0.397 nan 8.270 nan 0.000 0.553 333 A N 1.827 124.589 122.820 -0.096 0.000 2.807 333 A HA 0.616 4.991 4.320 0.093 0.000 0.307 333 A C 0.394 177.917 177.584 -0.101 0.000 1.532 333 A CA -0.406 51.578 52.037 -0.088 0.000 1.215 333 A CB -0.204 18.751 19.000 -0.074 0.000 1.127 333 A HN 0.477 nan 8.150 nan 0.000 0.543 334 A N 2.810 125.563 122.820 -0.112 0.000 2.492 334 A HA 0.356 4.732 4.320 0.093 0.000 0.254 334 A C 0.544 178.013 177.584 -0.193 0.000 1.091 334 A CA -0.373 51.579 52.037 -0.142 0.000 0.768 334 A CB -0.251 18.664 19.000 -0.141 0.000 1.028 334 A HN 0.835 nan 8.150 nan 0.000 0.498 335 N N 1.930 120.530 118.700 -0.166 0.000 2.452 335 N HA 0.179 4.974 4.740 0.093 0.000 0.266 335 N C 0.271 175.634 175.510 -0.246 0.000 1.175 335 N CA -0.034 52.937 53.050 -0.132 0.000 0.945 335 N CB 0.151 38.580 38.487 -0.097 0.000 1.063 335 N HN 0.577 nan 8.380 nan 0.000 0.472 336 I N 0.699 121.088 120.570 -0.302 0.000 3.856 336 I HA 0.267 4.493 4.170 0.093 0.000 0.333 336 I C -0.186 175.847 176.117 -0.140 0.000 1.525 336 I CA -0.769 60.249 61.300 -0.470 0.000 1.173 336 I CB 0.058 37.610 38.000 -0.746 0.000 1.175 336 I HN 0.153 nan 8.210 nan 0.000 0.424 337 V N 0.843 120.719 119.914 -0.064 0.000 5.578 337 V HA -0.309 3.866 4.120 0.093 0.000 0.275 337 V C -0.181 175.757 176.094 -0.261 0.000 0.642 337 V CA 1.128 63.356 62.300 -0.119 0.000 0.613 337 V CB -2.453 29.419 31.823 0.082 0.000 0.301 337 V HN 0.882 nan 8.190 nan 0.000 0.782 338 N N 1.467 119.951 118.700 -0.361 0.000 2.576 338 N HA 0.388 5.184 4.740 0.093 0.000 0.269 338 N C -0.706 174.879 175.510 0.124 0.000 1.058 338 N CA -0.481 52.560 53.050 -0.016 0.000 0.860 338 N CB 1.255 39.722 38.487 -0.033 0.000 1.249 338 N HN 0.543 nan 8.380 nan 0.000 0.525 339 H N 1.295 120.792 119.070 0.712 0.000 2.569 339 H HA 0.228 4.839 4.556 0.091 0.000 0.357 339 H C -0.948 174.834 175.328 0.756 0.000 1.153 339 H CA -0.302 56.162 56.048 0.693 0.000 1.193 339 H CB 1.811 31.936 29.762 0.606 0.000 1.602 339 H HN 0.490 nan 8.280 nan 0.000 0.523 340 Y N 2.296 122.813 120.300 0.361 0.000 2.377 340 Y HA 0.418 5.022 4.550 0.090 0.000 0.339 340 Y C -1.729 174.216 175.900 0.074 0.000 1.011 340 Y CA -0.744 57.392 58.100 0.060 0.000 1.093 340 Y CB 0.811 38.919 38.460 -0.587 0.000 1.201 340 Y HN 0.436 nan 8.280 nan 0.000 0.455 341 Y N 2.867 122.683 120.300 -0.807 0.000 2.457 341 Y HA 0.403 5.015 4.550 0.103 0.000 0.343 341 Y C -0.231 175.236 175.900 -0.721 0.000 0.994 341 Y CA -1.156 56.686 58.100 -0.430 0.000 1.031 341 Y CB 2.098 40.608 38.460 0.083 0.000 1.246 341 Y HN 0.648 nan 8.280 nan 0.000 0.449 342 S N 0.566 116.205 115.700 -0.101 0.000 2.562 342 S HA 0.309 4.835 4.470 0.093 0.000 0.275 342 S C 0.617 175.288 174.600 0.120 0.000 1.281 342 S CA -0.657 57.581 58.200 0.062 0.000 1.045 342 S CB 1.305 64.649 63.200 0.241 0.000 0.962 342 S HN 0.508 nan 8.310 nan 0.000 0.503 343 V N 2.704 122.637 119.914 0.031 0.000 2.594 343 V HA -0.135 4.041 4.120 0.093 0.000 0.253 343 V C 2.691 178.796 176.094 0.019 0.000 1.069 343 V CA 2.233 64.539 62.300 0.011 0.000 1.082 343 V CB -1.145 30.655 31.823 -0.038 0.000 0.680 343 V HN 1.066 nan 8.190 nan 0.000 0.469 344 E N -0.273 119.954 120.200 0.045 0.000 2.106 344 E HA -0.240 4.165 4.350 0.093 0.000 0.192 344 E C 2.127 178.779 176.600 0.087 0.000 0.984 344 E CA 1.248 57.674 56.400 0.044 0.000 0.806 344 E CB -0.164 29.568 29.700 0.053 0.000 0.750 344 E HN 0.527 nan 8.360 nan 0.000 0.458 345 F N 1.469 121.411 119.950 -0.013 0.000 2.146 345 F HA -0.087 4.507 4.527 0.112 0.000 0.298 345 F C 1.935 177.675 175.800 -0.101 0.000 1.096 345 F CA 1.193 59.179 58.000 -0.022 0.000 1.275 345 F CB -0.279 38.767 39.000 0.076 0.000 1.008 345 F HN 0.002 nan 8.300 nan 0.000 0.480 346 L N -0.031 121.169 121.223 -0.038 0.000 2.046 346 L HA -0.266 4.130 4.340 0.093 0.000 0.208 346 L C 2.369 179.075 176.870 -0.275 0.000 1.077 346 L CA 1.262 55.992 54.840 -0.184 0.000 0.747 346 L CB -0.896 41.155 42.059 -0.013 0.000 0.896 346 L HN 0.158 nan 8.230 nan 0.000 0.432 347 N N 0.330 118.924 118.700 -0.176 0.000 2.104 347 N HA -0.232 4.563 4.740 0.093 0.000 0.190 347 N C 1.837 177.204 175.510 -0.238 0.000 1.024 347 N CA 1.410 54.358 53.050 -0.171 0.000 0.853 347 N CB -0.109 38.314 38.487 -0.106 0.000 1.008 347 N HN 0.360 nan 8.380 nan 0.000 0.424 348 K N -0.010 120.224 120.400 -0.277 0.000 2.103 348 K HA 0.020 4.396 4.320 0.093 0.000 0.204 348 K C 1.594 177.880 176.600 -0.525 0.000 1.052 348 K CA 0.813 56.910 56.287 -0.318 0.000 0.945 348 K CB 0.157 32.515 32.500 -0.237 0.000 0.722 348 K HN -0.003 nan 8.250 nan 0.000 0.443 349 M N 0.397 119.472 119.600 -0.876 0.000 2.486 349 M HA 0.075 4.610 4.480 0.093 0.000 0.264 349 M C 2.016 177.436 176.300 -1.467 0.000 1.125 349 M CA 0.697 55.141 55.300 -1.426 0.000 1.144 349 M CB -0.341 30.823 32.600 -2.393 0.000 1.353 349 M HN 0.122 nan 8.290 nan 0.000 0.466 350 I N 1.038 121.045 120.570 -0.937 0.000 2.208 350 I HA -0.240 3.985 4.170 0.093 0.000 0.245 350 I C -0.556 175.391 176.117 -0.283 0.000 1.097 350 I CA 1.660 62.690 61.300 -0.450 0.000 1.363 350 I CB -1.653 36.255 38.000 -0.154 0.000 1.051 350 I HN 0.151 nan 8.210 nan 0.000 0.413 351 P HA -0.165 nan 4.420 nan 0.000 0.218 351 P C 1.284 178.492 177.300 -0.154 0.000 1.148 351 P CA 1.470 64.470 63.100 -0.166 0.000 0.822 351 P CB -0.004 31.601 31.700 -0.159 0.000 0.784 352 K N -1.530 118.690 120.400 -0.300 0.000 2.031 352 K HA -0.108 4.268 4.320 0.093 0.000 0.205 352 K C 2.041 178.567 176.600 -0.124 0.000 1.049 352 K CA 1.224 57.372 56.287 -0.232 0.000 0.939 352 K CB -0.572 31.670 32.500 -0.431 0.000 0.717 352 K HN 0.157 nan 8.250 nan 0.000 0.438 353 W N 1.839 122.874 121.300 -0.440 0.000 2.350 353 W HA -0.084 4.626 4.660 0.083 0.000 0.289 353 W C 1.918 178.424 176.519 -0.023 0.000 1.215 353 W CA 0.673 57.797 57.345 -0.369 0.000 1.236 353 W CB -0.517 28.649 29.460 -0.490 0.000 1.130 353 W HN 0.139 nan 8.180 nan 0.000 0.541 354 I N -1.007 119.688 120.570 0.209 0.000 3.793 354 I HA 0.155 4.381 4.170 0.093 0.000 0.315 354 I C 1.292 177.494 176.117 0.142 0.000 1.275 354 I CA 0.867 62.280 61.300 0.189 0.000 1.214 354 I CB -0.544 37.556 38.000 0.166 0.000 1.018 354 I HN -0.116 nan 8.210 nan 0.000 0.439 355 S N -0.556 115.226 115.700 0.136 0.000 2.601 355 S HA 0.365 4.891 4.470 0.093 0.000 0.244 355 S C 0.313 174.976 174.600 0.105 0.000 1.001 355 S CA -0.280 57.978 58.200 0.098 0.000 0.984 355 S CB -0.076 63.163 63.200 0.065 0.000 0.842 355 S HN 0.405 nan 8.310 nan 0.000 0.474 356 S N 0.291 116.079 115.700 0.146 0.000 2.548 356 S HA 0.292 4.818 4.470 0.093 0.000 0.278 356 S C -0.175 174.452 174.600 0.044 0.000 1.150 356 S CA -0.512 57.737 58.200 0.082 0.000 0.907 356 S CB 1.234 64.494 63.200 0.100 0.000 1.108 356 S HN 0.140 nan 8.310 nan 0.000 0.459 357 Q N 2.730 122.478 119.800 -0.087 0.000 2.488 357 Q HA -0.003 4.392 4.340 0.093 0.000 0.211 357 Q C 1.627 177.529 176.000 -0.162 0.000 0.967 357 Q CA 0.520 56.221 55.803 -0.170 0.000 0.926 357 Q CB -0.146 28.420 28.738 -0.287 0.000 0.992 357 Q HN 0.751 nan 8.270 nan 0.000 0.506 358 K N 0.418 120.691 120.400 -0.212 0.000 2.097 358 K HA -0.162 4.213 4.320 0.093 0.000 0.206 358 K C 0.823 177.247 176.600 -0.293 0.000 1.049 358 K CA 1.307 57.388 56.287 -0.343 0.000 0.933 358 K CB 0.098 32.242 32.500 -0.593 0.000 0.717 358 K HN 0.205 nan 8.250 nan 0.000 0.442 359 Y N -0.678 119.633 120.300 0.017 0.000 2.442 359 Y HA 0.273 4.877 4.550 0.089 0.000 0.250 359 Y C 0.442 176.316 175.900 -0.044 0.000 1.113 359 Y CA -0.252 57.848 58.100 0.000 0.000 1.273 359 Y CB 0.672 39.155 38.460 0.039 0.000 1.138 359 Y HN -0.141 nan 8.280 nan 0.000 0.522 360 L N 3.138 124.439 121.223 0.129 0.000 2.625 360 L HA 0.347 4.742 4.340 0.093 0.000 0.255 360 L C -2.688 174.181 176.870 -0.002 0.000 1.493 360 L CA -1.691 53.203 54.840 0.090 0.000 0.796 360 L CB 1.116 43.270 42.059 0.159 0.000 1.064 360 L HN -0.159 nan 8.230 nan 0.000 0.516 361 P HA 0.038 nan 4.420 nan 0.000 0.272 361 P C -0.220 176.963 177.300 -0.194 0.000 1.223 361 P CA 0.091 63.046 63.100 -0.241 0.000 0.784 361 P CB 0.693 32.229 31.700 -0.273 0.000 0.923 362 F N 0.877 120.645 119.950 -0.302 0.000 2.459 362 F HA 0.156 4.738 4.527 0.092 0.000 0.346 362 F C 1.615 177.103 175.800 -0.520 0.000 1.128 362 F CA -0.278 57.539 58.000 -0.304 0.000 1.268 362 F CB 0.466 39.340 39.000 -0.209 0.000 1.161 362 F HN 0.258 nan 8.300 nan 0.000 0.583 363 H N 3.673 122.631 119.070 -0.187 0.000 2.489 363 H HA 0.337 4.948 4.556 0.091 0.000 0.343 363 H C -0.370 174.854 175.328 -0.174 0.000 1.086 363 H CA -0.687 55.172 56.048 -0.316 0.000 1.198 363 H CB 2.084 31.342 29.762 -0.839 0.000 1.490 363 H HN 0.224 nan 8.280 nan 0.000 0.504 364 I N 2.154 122.722 120.570 -0.003 0.000 2.365 364 I HA 0.333 4.558 4.170 0.093 0.000 0.291 364 I C 0.503 176.642 176.117 0.036 0.000 1.004 364 I CA -0.463 60.837 61.300 0.000 0.000 1.311 364 I CB 0.826 38.820 38.000 -0.011 0.000 1.401 364 I HN 0.523 nan 8.210 nan 0.000 0.491 365 A N 7.062 129.903 122.820 0.035 0.000 2.357 365 A HA 0.499 4.874 4.320 0.093 0.000 0.295 365 A C -0.196 177.413 177.584 0.041 0.000 1.121 365 A CA -0.815 51.252 52.037 0.050 0.000 0.742 365 A CB 0.894 19.933 19.000 0.066 0.000 1.181 365 A HN 0.676 nan 8.150 nan 0.000 0.454 366 K N 2.090 122.515 120.400 0.041 0.000 2.350 366 K HA 0.380 4.756 4.320 0.093 0.000 0.279 366 K C -0.307 176.313 176.600 0.032 0.000 1.027 366 K CA 0.044 56.352 56.287 0.036 0.000 0.969 366 K CB 0.619 33.140 32.500 0.035 0.000 0.954 366 K HN 0.531 nan 8.250 nan 0.000 0.474 367 K N 2.166 122.580 120.400 0.024 0.000 2.509 367 K HA 0.296 4.672 4.320 0.093 0.000 0.266 367 K C -0.981 175.614 176.600 -0.008 0.000 0.987 367 K CA -0.901 55.392 56.287 0.011 0.000 0.868 367 K CB 1.900 34.406 32.500 0.009 0.000 1.421 367 K HN 0.354 nan 8.250 nan 0.000 0.444 368 K N 1.876 122.262 120.400 -0.024 0.000 2.250 368 K HA 0.405 4.781 4.320 0.093 0.000 0.280 368 K C -0.234 176.306 176.600 -0.099 0.000 1.098 368 K CA -0.105 56.148 56.287 -0.057 0.000 0.916 368 K CB 0.185 32.654 32.500 -0.052 0.000 1.209 368 K HN 0.362 nan 8.250 nan 0.000 0.461 369 I N 5.428 125.919 120.570 -0.132 0.000 2.328 369 I HA 0.204 4.429 4.170 0.093 0.000 0.287 369 I C -2.234 173.690 176.117 -0.322 0.000 1.012 369 I CA -2.705 58.500 61.300 -0.159 0.000 1.195 369 I CB 1.211 39.154 38.000 -0.095 0.000 1.350 369 I HN 0.213 nan 8.210 nan 0.000 0.464 370 P HA 0.043 nan 4.420 nan 0.000 0.261 370 P C -0.416 176.479 177.300 -0.675 0.000 1.203 370 P CA 0.383 63.109 63.100 -0.623 0.000 0.767 370 P CB 0.512 32.067 31.700 -0.241 0.000 0.785 371 S N 2.931 118.043 115.700 -0.980 0.000 2.724 371 S HA 0.421 4.947 4.470 0.093 0.000 0.278 371 S C -1.022 173.432 174.600 -0.244 0.000 1.190 371 S CA -0.940 57.002 58.200 -0.430 0.000 0.860 371 S CB 0.226 63.333 63.200 -0.154 0.000 1.206 371 S HN 0.106 nan 8.310 nan 0.000 0.507 372 L N 2.610 123.868 121.223 0.060 0.000 2.462 372 L HA 0.430 4.825 4.340 0.093 0.000 0.272 372 L C 0.913 177.907 176.870 0.208 0.000 1.166 372 L CA 1.406 56.334 54.840 0.147 0.000 0.880 372 L CB -0.793 41.337 42.059 0.117 0.000 1.142 372 L HN 0.975 nan 8.230 nan 0.000 0.473 373 N N 5.096 123.923 118.700 0.212 0.000 2.530 373 N HA 0.408 5.203 4.740 0.093 0.000 0.273 373 N C 0.115 175.642 175.510 0.028 0.000 1.173 373 N CA -0.476 52.586 53.050 0.019 0.000 0.967 373 N CB 0.202 38.500 38.487 -0.314 0.000 1.109 373 N HN 0.611 nan 8.380 nan 0.000 0.453 378 E N 0.002 120.227 120.200 0.042 0.000 2.334 378 E HA 0.788 5.194 4.350 0.093 0.000 0.256 378 E C -0.376 176.327 176.600 0.173 0.000 0.958 378 E CA -1.272 55.165 56.400 0.061 0.000 0.821 378 E CB 1.365 31.095 29.700 0.050 0.000 1.269 378 E HN 0.391 nan 8.360 nan 0.000 0.413 379 F N 0.451 120.421 119.950 0.034 0.000 2.646 379 F HA 0.387 4.970 4.527 0.092 0.000 0.321 379 F C 0.302 176.233 175.800 0.219 0.000 1.241 379 F CA 1.681 59.729 58.000 0.080 0.000 1.365 379 F CB 0.132 39.132 39.000 0.001 0.000 1.143 379 F HN 0.743 nan 8.300 nan 0.000 0.601 380 Y N -1.085 118.863 120.300 -0.587 0.000 2.469 380 Y HA 0.419 5.025 4.550 0.093 0.000 0.335 380 Y C -1.536 174.086 175.900 -0.463 0.000 1.313 380 Y CA -1.298 56.604 58.100 -0.330 0.000 1.324 380 Y CB -0.535 37.819 38.460 -0.177 0.000 1.321 380 Y HN 0.687 nan 8.280 nan 0.000 0.477 381 K N 4.808 125.003 120.400 -0.342 0.000 2.263 381 K HA 0.624 5.000 4.320 0.093 0.000 0.282 381 K C -2.855 173.590 176.600 -0.259 0.000 1.089 381 K CA -1.550 54.516 56.287 -0.367 0.000 0.907 381 K CB -0.170 32.257 32.500 -0.122 0.000 1.148 381 K HN 0.650 nan 8.250 nan 0.000 0.470 382 P HA 0.110 nan 4.420 nan 0.000 0.272 382 P C 0.260 177.545 177.300 -0.024 0.000 1.230 382 P CA 0.204 63.250 63.100 -0.091 0.000 0.788 382 P CB 1.161 32.757 31.700 -0.174 0.000 0.949 383 T N -3.760 110.820 114.554 0.043 0.000 3.044 383 T HA 0.419 4.825 4.350 0.093 0.000 0.260 383 T C 0.467 175.180 174.700 0.021 0.000 1.019 383 T CA -0.005 62.109 62.100 0.022 0.000 0.921 383 T CB -0.168 68.718 68.868 0.031 0.000 1.053 383 T HN 0.666 nan 8.240 nan 0.000 0.533 384 E N 1.269 121.486 120.200 0.028 0.000 2.390 384 E HA 0.674 5.080 4.350 0.093 0.000 0.277 384 E C -3.508 173.106 176.600 0.023 0.000 0.939 384 E CA -2.590 53.825 56.400 0.026 0.000 0.769 384 E CB 0.329 30.048 29.700 0.033 0.000 1.251 384 E HN 0.119 nan 8.360 nan 0.000 0.450 385 P HA 0.068 nan 4.420 nan 0.000 0.263 385 P C -0.140 177.178 177.300 0.030 0.000 1.175 385 P CA 0.592 63.704 63.100 0.019 0.000 0.761 385 P CB 0.489 32.204 31.700 0.025 0.000 0.794 386 N N 1.228 119.943 118.700 0.024 0.000 2.116 386 N HA 0.218 5.013 4.740 0.093 0.000 0.230 386 N C 0.168 175.704 175.510 0.044 0.000 1.326 386 N CA -0.127 52.951 53.050 0.047 0.000 0.867 386 N CB 0.740 39.268 38.487 0.068 0.000 1.174 386 N HN 0.464 nan 8.380 nan 0.000 0.506 387 G N 0.533 109.355 108.800 0.037 0.000 2.488 387 G HA2 0.522 4.537 3.960 0.093 0.000 0.301 387 G HA3 0.522 4.537 3.960 0.093 0.000 0.301 387 G C -1.879 173.057 174.900 0.059 0.000 1.339 387 G CA -0.798 44.335 45.100 0.056 0.000 0.803 387 G HN 0.308 nan 8.290 nan 0.000 0.482 388 I N -2.428 118.196 120.570 0.090 0.000 2.647 388 I HA 0.773 4.999 4.170 0.093 0.000 0.295 388 I C -0.864 175.306 176.117 0.089 0.000 1.078 388 I CA -1.114 60.232 61.300 0.076 0.000 1.048 388 I CB 2.523 40.560 38.000 0.062 0.000 1.239 388 I HN 0.286 nan 8.210 nan 0.000 0.421 389 K N 5.166 125.596 120.400 0.050 0.000 2.156 389 K HA 0.701 5.077 4.320 0.093 0.000 0.254 389 K C -1.241 175.355 176.600 -0.007 0.000 0.950 389 K CA -0.772 55.537 56.287 0.036 0.000 0.849 389 K CB 2.555 35.071 32.500 0.025 0.000 1.100 389 K HN 0.546 nan 8.250 nan 0.000 0.434 390 L N 2.004 123.190 121.223 -0.062 0.000 2.325 390 L HA 0.449 4.844 4.340 0.093 0.000 0.278 390 L C -0.309 176.459 176.870 -0.169 0.000 1.023 390 L CA -0.496 54.232 54.840 -0.186 0.000 0.811 390 L CB 1.530 43.328 42.059 -0.436 0.000 1.249 390 L HN 0.564 nan 8.230 nan 0.000 0.431 391 E N 2.085 122.199 120.200 -0.143 0.000 2.308 391 E HA 0.344 4.750 4.350 0.093 0.000 0.275 391 E C -1.501 175.037 176.600 -0.103 0.000 0.890 391 E CA -0.763 55.592 56.400 -0.074 0.000 0.754 391 E CB 2.764 32.501 29.700 0.061 0.000 1.207 391 E HN 0.504 nan 8.360 nan 0.000 0.426 392 Q N 1.744 121.549 119.800 0.008 0.000 2.241 392 Q HA 0.413 4.809 4.340 0.093 0.000 0.254 392 Q C -1.040 175.024 176.000 0.108 0.000 0.917 392 Q CA -0.627 55.218 55.803 0.070 0.000 0.919 392 Q CB 1.281 30.108 28.738 0.148 0.000 1.237 392 Q HN 0.285 nan 8.270 nan 0.000 0.434 393 F N 1.681 121.560 119.950 -0.119 0.000 2.420 393 F HA 0.230 4.811 4.527 0.091 0.000 0.342 393 F C 1.080 176.573 175.800 -0.512 0.000 1.113 393 F CA -1.607 56.073 58.000 -0.533 0.000 1.059 393 F CB 0.637 38.969 39.000 -1.112 0.000 1.128 393 F HN 0.590 nan 8.300 nan 0.000 0.475 394 I N 3.423 123.842 120.570 -0.252 0.000 2.248 394 I HA -0.318 3.907 4.170 0.093 0.000 0.248 394 I C 1.960 178.032 176.117 -0.075 0.000 1.107 394 I CA 1.895 63.141 61.300 -0.090 0.000 1.373 394 I CB -0.398 37.604 38.000 0.003 0.000 1.055 394 I HN 0.519 nan 8.210 nan 0.000 0.418 395 F N -1.057 118.778 119.950 -0.192 0.000 2.811 395 F HA 0.188 4.771 4.527 0.093 0.000 0.301 395 F C 1.639 177.135 175.800 -0.507 0.000 1.151 395 F CA -0.099 57.435 58.000 -0.776 0.000 1.412 395 F CB -1.614 36.663 39.000 -1.204 0.000 1.113 395 F HN -0.005 nan 8.300 nan 0.000 0.579 396 D N 1.324 121.689 120.400 -0.058 0.000 2.351 396 D HA -0.103 4.593 4.640 0.093 0.000 0.216 396 D C 2.399 178.729 176.300 0.050 0.000 0.968 396 D CA 1.431 55.491 54.000 0.100 0.000 0.899 396 D CB 0.006 40.873 40.800 0.112 0.000 0.907 396 D HN 0.441 nan 8.370 nan 0.000 0.514 397 V N -2.493 117.359 119.914 -0.102 0.000 3.623 397 V HA -0.001 4.174 4.120 0.093 0.000 0.271 397 V C 1.902 178.096 176.094 0.167 0.000 1.248 397 V CA 0.207 62.327 62.300 -0.301 0.000 1.156 397 V CB -0.836 30.052 31.823 -1.557 0.000 0.870 397 V HN -0.160 nan 8.190 nan 0.000 0.453 398 F N 2.225 122.180 119.950 0.007 0.000 2.091 398 F HA 0.039 4.629 4.527 0.106 0.000 0.299 398 F C 0.268 176.074 175.800 0.011 0.000 1.103 398 F CA 1.326 59.338 58.000 0.019 0.000 1.228 398 F CB -2.403 36.565 39.000 -0.054 0.000 0.984 398 F HN 0.312 nan 8.300 nan 0.000 0.477 399 P HA -0.099 nan 4.420 nan 0.000 0.231 399 P C 1.379 178.808 177.300 0.214 0.000 1.158 399 P CA 1.631 64.822 63.100 0.152 0.000 0.763 399 P CB -0.414 31.370 31.700 0.140 0.000 0.805 400 S N -1.854 114.046 115.700 0.333 0.000 2.527 400 S HA 0.037 4.563 4.470 0.093 0.000 0.222 400 S C 0.882 175.716 174.600 0.389 0.000 0.985 400 S CA -0.246 58.201 58.200 0.411 0.000 0.921 400 S CB -0.913 62.639 63.200 0.588 0.000 0.772 400 S HN 0.005 nan 8.310 nan 0.000 0.529 401 V N 1.783 121.907 119.914 0.351 0.000 2.953 401 V HA 0.396 4.571 4.120 0.093 0.000 0.304 401 V C -0.097 176.071 176.094 0.124 0.000 1.073 401 V CA -0.571 61.892 62.300 0.271 0.000 1.064 401 V CB 1.389 33.275 31.823 0.104 0.000 1.047 401 V HN 0.421 nan 8.190 nan 0.000 0.478 402 E N 2.599 122.848 120.200 0.083 0.000 2.313 402 E HA 0.195 4.601 4.350 0.093 0.000 0.276 402 E C 0.521 177.137 176.600 0.027 0.000 1.031 402 E CA -0.109 56.325 56.400 0.057 0.000 0.857 402 E CB 1.389 31.123 29.700 0.057 0.000 1.040 402 E HN 0.613 nan 8.360 nan 0.000 0.408 403 L N 4.188 125.423 121.223 0.021 0.000 2.021 403 L HA -0.266 4.130 4.340 0.093 0.000 0.215 403 L C 1.338 178.238 176.870 0.049 0.000 1.074 403 L CA 2.176 57.026 54.840 0.017 0.000 0.760 403 L CB -0.625 41.444 42.059 0.018 0.000 0.889 403 L HN 0.711 nan 8.230 nan 0.000 0.433 404 N N -1.724 117.010 118.700 0.057 0.000 2.571 404 N HA -0.120 4.675 4.740 0.093 0.000 0.189 404 N C 0.962 176.547 175.510 0.126 0.000 1.154 404 N CA 0.678 53.782 53.050 0.090 0.000 0.907 404 N CB -0.324 38.208 38.487 0.076 0.000 0.977 404 N HN 0.325 nan 8.380 nan 0.000 0.449 405 K N -0.437 119.998 120.400 0.058 0.000 2.387 405 K HA 0.173 4.548 4.320 0.093 0.000 0.203 405 K C -0.809 175.685 176.600 -0.177 0.000 1.030 405 K CA -0.321 55.994 56.287 0.047 0.000 1.099 405 K CB 0.204 32.677 32.500 -0.044 0.000 0.863 405 K HN 0.219 nan 8.250 nan 0.000 0.529 406 F N 0.735 120.379 119.950 -0.510 0.000 2.436 406 F HA 0.580 5.119 4.527 0.021 0.000 0.340 406 F C 0.113 175.166 175.800 -1.245 0.000 1.113 406 F CA -0.823 56.733 58.000 -0.741 0.000 1.022 406 F CB 1.521 40.260 39.000 -0.434 0.000 1.128 406 F HN -0.035 nan 8.300 nan 0.000 0.466 407 G N 3.916 111.416 108.800 -2.168 0.000 2.513 407 G HA2 0.493 4.508 3.960 0.093 0.000 0.317 407 G HA3 0.493 4.508 3.960 0.093 0.000 0.317 407 G C -2.034 172.346 174.900 -0.868 0.000 1.277 407 G CA -0.667 43.447 45.100 -1.644 0.000 0.955 407 G HN 0.870 nan 8.290 nan 0.000 0.484 408 C N 4.269 123.436 119.300 -0.222 0.000 2.356 408 C HA 0.646 5.161 4.460 0.093 0.000 0.324 408 C C -0.478 174.528 174.990 0.026 0.000 1.167 408 C CA -0.890 58.090 59.018 -0.064 0.000 1.420 408 C CB -0.433 27.333 27.740 0.044 0.000 2.036 408 C HN 0.702 nan 8.230 nan 0.000 0.435 409 L N 5.695 126.889 121.223 -0.048 0.000 2.257 409 L HA 0.503 4.898 4.340 0.093 0.000 0.290 409 L C 0.247 177.005 176.870 -0.187 0.000 1.044 409 L CA 0.479 55.146 54.840 -0.289 0.000 0.810 409 L CB 0.826 42.579 42.059 -0.510 0.000 1.193 409 L HN 0.786 nan 8.230 nan 0.000 0.425 410 E N 4.595 124.709 120.200 -0.143 0.000 2.289 410 E HA 0.499 4.905 4.350 0.093 0.000 0.278 410 E C -0.946 175.582 176.600 -0.120 0.000 1.032 410 E CA -0.591 55.741 56.400 -0.112 0.000 0.854 410 E CB 1.111 30.768 29.700 -0.072 0.000 1.046 410 E HN 0.566 nan 8.360 nan 0.000 0.409 411 V N 0.986 120.828 119.914 -0.121 0.000 3.158 411 V HA 0.438 4.613 4.120 0.093 0.000 0.315 411 V C -0.409 175.643 176.094 -0.069 0.000 1.148 411 V CA -1.132 61.108 62.300 -0.100 0.000 1.042 411 V CB 1.773 33.521 31.823 -0.125 0.000 1.101 411 V HN 0.677 nan 8.190 nan 0.000 0.448 412 D N 0.676 121.048 120.400 -0.047 0.000 2.339 412 D HA 0.247 4.943 4.640 0.093 0.000 0.241 412 D C 1.104 177.391 176.300 -0.023 0.000 1.183 412 D CA -0.010 53.970 54.000 -0.033 0.000 0.859 412 D CB 1.267 42.054 40.800 -0.022 0.000 1.067 412 D HN 0.718 nan 8.370 nan 0.000 0.484 413 R N 3.353 123.843 120.500 -0.017 0.000 2.103 413 R HA -0.180 4.215 4.340 0.093 0.000 0.242 413 R C 1.562 177.830 176.300 -0.054 0.000 1.142 413 R CA 1.078 57.189 56.100 0.018 0.000 0.960 413 R CB -0.052 30.265 30.300 0.029 0.000 0.858 413 R HN 0.394 nan 8.270 nan 0.000 0.439 414 L N 0.850 122.008 121.223 -0.108 0.000 2.353 414 L HA -0.131 4.264 4.340 0.093 0.000 0.220 414 L C 1.228 178.014 176.870 -0.139 0.000 1.133 414 L CA 1.653 56.388 54.840 -0.175 0.000 0.798 414 L CB -0.212 41.757 42.059 -0.150 0.000 0.922 414 L HN 0.155 nan 8.230 nan 0.000 0.445 415 D N -1.749 118.610 120.400 -0.068 0.000 2.423 415 D HA 0.061 4.756 4.640 0.093 0.000 0.208 415 D C 1.428 177.719 176.300 -0.015 0.000 1.068 415 D CA 0.388 54.370 54.000 -0.031 0.000 0.860 415 D CB 0.548 41.384 40.800 0.060 0.000 0.992 415 D HN 0.362 nan 8.370 nan 0.000 0.504 416 E N -1.013 119.189 120.200 0.003 0.000 2.639 416 E HA 0.117 4.523 4.350 0.093 0.000 0.225 416 E C -0.498 176.193 176.600 0.152 0.000 0.921 416 E CA -0.209 56.215 56.400 0.040 0.000 1.184 416 E CB 1.742 31.449 29.700 0.012 0.000 1.160 416 E HN -0.008 nan 8.360 nan 0.000 0.547 417 F N 1.318 121.231 119.950 -0.061 0.000 2.689 417 F HA 0.420 5.006 4.527 0.098 0.000 0.332 417 F C -1.491 174.303 175.800 -0.011 0.000 1.209 417 F CA -0.743 57.238 58.000 -0.032 0.000 1.028 417 F CB 2.102 41.077 39.000 -0.043 0.000 1.291 417 F HN -0.255 nan 8.300 nan 0.000 0.500 418 S N 8.375 123.806 115.700 -0.448 0.000 2.387 418 S HA 0.463 4.988 4.470 0.093 0.000 0.211 418 S C -3.194 171.174 174.600 -0.387 0.000 1.055 418 S CA -0.898 57.084 58.200 -0.362 0.000 1.133 418 S CB 1.127 64.352 63.200 0.041 0.000 1.235 418 S HN 0.433 nan 8.310 nan 0.000 0.425 419 P HA 0.359 nan 4.420 nan 0.000 0.282 419 P C -0.903 176.257 177.300 -0.233 0.000 1.249 419 P CA -0.809 62.088 63.100 -0.338 0.000 0.806 419 P CB 1.053 32.549 31.700 -0.340 0.000 0.984 420 L N 3.729 124.841 121.223 -0.184 0.000 2.272 420 L HA 0.288 4.684 4.340 0.093 0.000 0.284 420 L C 0.810 177.557 176.870 -0.204 0.000 1.045 420 L CA 0.424 55.130 54.840 -0.223 0.000 0.842 420 L CB 0.131 42.032 42.059 -0.262 0.000 1.224 420 L HN 0.213 nan 8.230 nan 0.000 0.430 421 K N 2.309 122.595 120.400 -0.190 0.000 2.403 421 K HA 0.359 4.735 4.320 0.093 0.000 0.199 421 K C -0.118 176.390 176.600 -0.153 0.000 1.199 421 K CA 0.263 56.460 56.287 -0.149 0.000 0.924 421 K CB 0.418 32.845 32.500 -0.122 0.000 1.137 421 K HN 0.508 nan 8.250 nan 0.000 0.510 422 N N 0.627 119.227 118.700 -0.166 0.000 2.292 422 N HA 0.375 5.171 4.740 0.093 0.000 0.303 422 N C -0.735 174.672 175.510 -0.171 0.000 1.140 422 N CA -0.404 52.559 53.050 -0.144 0.000 0.788 422 N CB 1.905 40.327 38.487 -0.109 0.000 1.361 422 N HN -0.021 nan 8.380 nan 0.000 0.489 423 A N 0.371 123.111 122.820 -0.132 0.000 2.406 423 A HA 0.085 4.461 4.320 0.093 0.000 0.243 423 A C 0.117 177.647 177.584 -0.090 0.000 1.082 423 A CA -0.070 51.898 52.037 -0.115 0.000 0.786 423 A CB -0.008 18.953 19.000 -0.065 0.000 1.029 423 A HN 0.564 nan 8.150 nan 0.000 0.495 424 D N -0.272 120.089 120.400 -0.065 0.000 2.472 424 D HA 0.368 5.063 4.640 0.093 0.000 0.237 424 D C 1.234 177.509 176.300 -0.042 0.000 1.141 424 D CA 2.126 56.096 54.000 -0.050 0.000 0.875 424 D CB 0.996 41.784 40.800 -0.020 0.000 1.192 424 D HN 0.955 nan 8.370 nan 0.000 0.450 425 G N 0.912 109.685 108.800 -0.045 0.000 2.699 425 G HA2 -0.098 3.917 3.960 0.093 0.000 0.198 425 G HA3 -0.098 3.917 3.960 0.093 0.000 0.198 425 G C 0.427 175.302 174.900 -0.041 0.000 1.033 425 G CA 0.246 45.324 45.100 -0.036 0.000 0.728 425 G HN 0.833 nan 8.290 nan 0.000 0.484 426 A N 0.758 123.547 122.820 -0.052 0.000 2.386 426 A HA 0.650 5.025 4.320 0.093 0.000 0.246 426 A C 1.404 178.954 177.584 -0.056 0.000 1.089 426 A CA 1.309 53.315 52.037 -0.053 0.000 0.790 426 A CB 0.488 19.450 19.000 -0.063 0.000 1.042 426 A HN 0.549 nan 8.150 nan 0.000 0.497 427 K N -0.064 120.307 120.400 -0.049 0.000 2.103 427 K HA -0.068 4.307 4.320 0.093 0.000 0.204 427 K C 0.022 176.587 176.600 -0.059 0.000 1.052 427 K CA 1.412 57.671 56.287 -0.047 0.000 0.945 427 K CB -0.119 32.361 32.500 -0.033 0.000 0.722 427 K HN 0.798 nan 8.250 nan 0.000 0.443 428 N N 0.074 118.734 118.700 -0.068 0.000 2.405 428 N HA 0.112 4.907 4.740 0.093 0.000 0.285 428 N C -1.632 173.812 175.510 -0.110 0.000 1.262 428 N CA -0.657 52.345 53.050 -0.080 0.000 0.773 428 N CB 1.627 40.079 38.487 -0.059 0.000 1.490 428 N HN 0.014 nan 8.380 nan 0.000 0.486 429 D N 0.011 120.331 120.400 -0.134 0.000 2.735 429 D HA -0.157 4.538 4.640 0.093 0.000 0.235 429 D C -0.417 175.776 176.300 -0.177 0.000 1.175 429 D CA 1.054 54.953 54.000 -0.169 0.000 0.683 429 D CB -1.628 39.075 40.800 -0.163 0.000 1.008 429 D HN 0.601 nan 8.370 nan 0.000 0.416 430 T N -4.780 109.665 114.554 -0.181 0.000 2.927 430 T HA 0.582 4.987 4.350 0.093 0.000 0.286 430 T C -2.111 172.475 174.700 -0.189 0.000 1.040 430 T CA -1.830 60.161 62.100 -0.181 0.000 1.010 430 T CB 2.686 71.471 68.868 -0.138 0.000 1.177 430 T HN -0.345 nan 8.240 nan 0.000 0.546 431 P HA -0.016 nan 4.420 nan 0.000 0.218 431 P C 1.482 178.734 177.300 -0.080 0.000 1.149 431 P CA 1.089 64.132 63.100 -0.096 0.000 0.817 431 P CB -0.179 31.548 31.700 0.045 0.000 0.785 432 T N -1.107 113.390 114.554 -0.095 0.000 2.737 432 T HA -0.130 4.275 4.350 0.093 0.000 0.265 432 T C 1.850 176.445 174.700 -0.176 0.000 1.038 432 T CA 2.192 64.230 62.100 -0.105 0.000 1.144 432 T CB -1.229 67.586 68.868 -0.088 0.000 0.866 432 T HN 0.317 nan 8.240 nan 0.000 0.434 433 T N 0.026 114.436 114.554 -0.239 0.000 2.821 433 T HA -0.115 4.291 4.350 0.093 0.000 0.267 433 T C 2.265 176.656 174.700 -0.514 0.000 1.046 433 T CA 1.124 62.957 62.100 -0.445 0.000 1.139 433 T CB -1.243 67.362 68.868 -0.439 0.000 0.871 433 T HN 0.394 nan 8.240 nan 0.000 0.454 434 C N 1.178 120.312 119.300 -0.276 0.000 2.432 434 C HA 0.058 4.574 4.460 0.093 0.000 0.277 434 C C 3.051 177.994 174.990 -0.077 0.000 1.249 434 C CA 0.953 59.882 59.018 -0.149 0.000 1.725 434 C CB -1.147 26.529 27.740 -0.107 0.000 2.028 434 C HN 0.644 nan 8.230 nan 0.000 0.477 435 R N 1.162 121.603 120.500 -0.099 0.000 2.070 435 R HA -0.128 4.268 4.340 0.093 0.000 0.233 435 R C 1.940 178.222 176.300 -0.030 0.000 1.137 435 R CA 2.070 58.131 56.100 -0.065 0.000 0.945 435 R CB -0.477 29.780 30.300 -0.072 0.000 0.845 435 R HN 0.664 nan 8.270 nan 0.000 0.430 436 N N -1.044 117.602 118.700 -0.090 0.000 2.069 436 N HA -0.188 4.607 4.740 0.093 0.000 0.191 436 N C 1.721 177.241 175.510 0.018 0.000 1.031 436 N CA 1.566 54.579 53.050 -0.062 0.000 0.852 436 N CB -0.238 38.183 38.487 -0.111 0.000 1.018 436 N HN 0.448 nan 8.380 nan 0.000 0.423 437 H N -1.077 117.965 119.070 -0.045 0.000 2.353 437 H HA -0.167 4.445 4.556 0.093 0.000 0.300 437 H C 1.730 177.006 175.328 -0.087 0.000 1.090 437 H CA 1.146 57.149 56.048 -0.075 0.000 1.327 437 H CB -0.062 29.649 29.762 -0.085 0.000 1.383 437 H HN 0.306 nan 8.280 nan 0.000 0.508 438 Y N 1.303 121.578 120.300 -0.041 0.000 2.145 438 Y HA -0.216 4.389 4.550 0.093 0.000 0.286 438 Y C 2.242 178.029 175.900 -0.188 0.000 1.145 438 Y CA 1.250 59.273 58.100 -0.129 0.000 1.148 438 Y CB -0.129 38.270 38.460 -0.101 0.000 0.981 438 Y HN 0.061 nan 8.280 nan 0.000 0.507 439 L N -0.435 120.846 121.223 0.097 0.000 2.156 439 L HA -0.164 4.232 4.340 0.093 0.000 0.208 439 L C 2.176 178.979 176.870 -0.113 0.000 1.095 439 L CA 1.345 56.183 54.840 -0.002 0.000 0.770 439 L CB -0.479 41.587 42.059 0.011 0.000 0.914 439 L HN 0.253 nan 8.230 nan 0.000 0.439 440 E N -0.013 120.127 120.200 -0.101 0.000 2.072 440 E HA -0.225 4.181 4.350 0.093 0.000 0.191 440 E C 2.284 178.729 176.600 -0.257 0.000 0.985 440 E CA 0.867 57.191 56.400 -0.128 0.000 0.801 440 E CB -0.009 29.655 29.700 -0.059 0.000 0.750 440 E HN 0.270 nan 8.360 nan 0.000 0.452 441 R N 0.482 120.755 120.500 -0.379 0.000 2.073 441 R HA -0.138 4.258 4.340 0.093 0.000 0.234 441 R C 2.332 178.014 176.300 -1.029 0.000 1.134 441 R CA 1.749 57.440 56.100 -0.681 0.000 0.952 441 R CB -0.139 29.699 30.300 -0.770 0.000 0.850 441 R HN 0.024 nan 8.270 nan 0.000 0.433 442 S N 0.258 115.450 115.700 -0.847 0.000 2.353 442 S HA -0.143 4.383 4.470 0.093 0.000 0.222 442 S C 1.976 176.376 174.600 -0.333 0.000 1.035 442 S CA 1.784 59.602 58.200 -0.637 0.000 1.025 442 S CB -0.199 62.801 63.200 -0.334 0.000 0.902 442 S HN 0.415 nan 8.310 nan 0.000 0.440 443 S N 1.157 116.706 115.700 -0.252 0.000 2.382 443 S HA -0.121 4.405 4.470 0.093 0.000 0.228 443 S C 1.847 176.378 174.600 -0.115 0.000 1.027 443 S CA 1.214 59.323 58.200 -0.151 0.000 0.991 443 S CB -0.259 62.876 63.200 -0.109 0.000 0.823 443 S HN 0.516 nan 8.310 nan 0.000 0.469 444 K N -0.082 120.225 120.400 -0.154 0.000 2.057 444 K HA -0.142 4.233 4.320 0.093 0.000 0.207 444 K C 1.800 178.439 176.600 0.065 0.000 1.049 444 K CA 1.313 57.559 56.287 -0.068 0.000 0.931 444 K CB -0.173 32.267 32.500 -0.100 0.000 0.714 444 K HN 0.342 nan 8.250 nan 0.000 0.440 445 W N 1.006 122.248 121.300 -0.097 0.000 2.355 445 W HA -0.147 4.567 4.660 0.091 0.000 0.309 445 W C 2.176 178.628 176.519 -0.112 0.000 1.206 445 W CA 0.385 57.671 57.345 -0.097 0.000 1.284 445 W CB -1.185 28.212 29.460 -0.105 0.000 1.145 445 W HN -0.089 nan 8.180 nan 0.000 0.502 446 V N 0.965 120.939 119.914 0.101 0.000 2.233 446 V HA -0.335 3.840 4.120 0.093 0.000 0.247 446 V C 2.227 178.305 176.094 -0.026 0.000 1.050 446 V CA 2.136 64.405 62.300 -0.051 0.000 1.010 446 V CB -1.161 30.545 31.823 -0.196 0.000 0.637 446 V HN 0.056 nan 8.190 nan 0.000 0.444 447 I N -0.002 120.560 120.570 -0.013 0.000 2.208 447 I HA -0.319 3.906 4.170 0.093 0.000 0.245 447 I C 2.793 178.912 176.117 0.003 0.000 1.097 447 I CA 2.008 63.306 61.300 -0.004 0.000 1.363 447 I CB -0.575 37.421 38.000 -0.007 0.000 1.051 447 I HN 0.412 nan 8.210 nan 0.000 0.413 448 Q N 0.821 120.635 119.800 0.023 0.000 2.364 448 Q HA -0.135 4.260 4.340 0.093 0.000 0.209 448 Q C 1.272 177.274 176.000 0.003 0.000 0.977 448 Q CA 1.266 57.083 55.803 0.024 0.000 0.885 448 Q CB -0.608 28.165 28.738 0.059 0.000 0.941 448 Q HN 0.609 nan 8.270 nan 0.000 0.464 449 N N -1.043 117.653 118.700 -0.007 0.000 2.273 449 N HA 0.223 5.018 4.740 0.093 0.000 0.231 449 N C 0.769 176.259 175.510 -0.033 0.000 1.134 449 N CA 0.645 53.678 53.050 -0.029 0.000 0.856 449 N CB 1.053 39.507 38.487 -0.055 0.000 1.068 449 N HN 0.548 nan 8.380 nan 0.000 0.510 450 G N 0.349 109.136 108.800 -0.023 0.000 2.179 450 G HA2 -0.240 3.776 3.960 0.093 0.000 0.260 450 G HA3 -0.240 3.776 3.960 0.093 0.000 0.260 450 G C 0.513 175.395 174.900 -0.030 0.000 0.977 450 G CA 0.064 45.148 45.100 -0.027 0.000 0.641 450 G HN 0.506 nan 8.290 nan 0.000 0.533 451 G N -1.045 107.756 108.800 0.001 0.000 2.569 451 G HA2 0.585 4.601 3.960 0.093 0.000 0.249 451 G HA3 0.585 4.601 3.960 0.093 0.000 0.249 451 G C -0.253 174.663 174.900 0.028 0.000 1.216 451 G CA 0.283 45.441 45.100 0.096 0.000 0.845 451 G HN 1.035 nan 8.290 nan 0.000 0.568 452 V N 2.467 122.362 119.914 -0.031 0.000 2.444 452 V HA 0.365 4.540 4.120 0.093 0.000 0.294 452 V C -0.017 176.109 176.094 0.053 0.000 1.022 452 V CA -0.494 61.717 62.300 -0.149 0.000 0.850 452 V CB 1.310 32.764 31.823 -0.616 0.000 0.992 452 V HN 0.577 nan 8.190 nan 0.000 0.426 453 I N 3.334 123.972 120.570 0.113 0.000 2.412 453 I HA 0.407 4.632 4.170 0.093 0.000 0.296 453 I C -0.073 176.122 176.117 0.130 0.000 0.987 453 I CA -0.724 60.675 61.300 0.165 0.000 1.180 453 I CB 1.657 39.718 38.000 0.101 0.000 1.340 453 I HN 0.500 nan 8.210 nan 0.000 0.455 454 D N 4.565 125.053 120.400 0.145 0.000 2.400 454 D HA -0.038 4.657 4.640 0.093 0.000 0.238 454 D C 0.333 176.675 176.300 0.070 0.000 1.157 454 D CA 0.123 54.188 54.000 0.108 0.000 0.889 454 D CB 0.475 41.328 40.800 0.089 0.000 1.199 454 D HN 0.482 nan 8.370 nan 0.000 0.436 455 N N 1.451 120.182 118.700 0.053 0.000 2.353 455 N HA -0.172 4.623 4.740 0.093 0.000 0.248 455 N C 0.009 175.536 175.510 0.029 0.000 1.240 455 N CA 0.381 53.452 53.050 0.035 0.000 0.862 455 N CB 0.445 38.949 38.487 0.028 0.000 1.086 455 N HN 0.229 nan 8.380 nan 0.000 0.453 456 Q N -1.089 118.723 119.800 0.020 0.000 2.416 456 Q HA -0.146 4.249 4.340 0.093 0.000 0.235 456 Q C 0.039 176.050 176.000 0.018 0.000 0.773 456 Q CA 1.424 57.236 55.803 0.015 0.000 1.286 456 Q CB -2.198 26.548 28.738 0.013 0.000 1.556 456 Q HN 0.791 nan 8.270 nan 0.000 0.650 457 G N 0.078 108.894 108.800 0.027 0.000 2.389 457 G HA2 0.704 4.720 3.960 0.093 0.000 0.328 457 G HA3 0.704 4.720 3.960 0.093 0.000 0.328 457 G C -0.565 174.347 174.900 0.020 0.000 1.133 457 G CA -0.575 44.544 45.100 0.033 0.000 0.891 457 G HN 0.016 nan 8.290 nan 0.000 0.485 458 L N 1.280 122.510 121.223 0.013 0.000 2.431 458 L HA 0.579 4.975 4.340 0.093 0.000 0.266 458 L C 0.006 176.871 176.870 -0.010 0.000 0.978 458 L CA -1.149 53.686 54.840 -0.009 0.000 0.822 458 L CB 2.388 44.438 42.059 -0.015 0.000 1.310 458 L HN 0.532 nan 8.230 nan 0.000 0.409 459 V N -0.840 119.049 119.914 -0.041 0.000 3.096 459 V HA 0.640 4.816 4.120 0.093 0.000 0.319 459 V C -0.676 175.390 176.094 -0.046 0.000 1.103 459 V CA -0.705 61.564 62.300 -0.052 0.000 1.016 459 V CB 2.013 33.754 31.823 -0.136 0.000 1.090 459 V HN 0.860 nan 8.190 nan 0.000 0.449 460 E N 0.601 120.792 120.200 -0.015 0.000 2.187 460 E HA 0.610 5.016 4.350 0.093 0.000 0.268 460 E C -1.753 174.870 176.600 0.040 0.000 0.896 460 E CA -0.725 55.703 56.400 0.047 0.000 0.766 460 E CB 2.274 32.022 29.700 0.081 0.000 1.142 460 E HN 0.666 nan 8.360 nan 0.000 0.408 461 V N 4.248 124.195 119.914 0.055 0.000 2.407 461 V HA 0.094 4.269 4.120 0.093 0.000 0.278 461 V C -0.021 176.174 176.094 0.168 0.000 1.037 461 V CA -0.618 61.749 62.300 0.111 0.000 0.900 461 V CB 1.466 33.417 31.823 0.213 0.000 0.983 461 V HN 0.713 nan 8.190 nan 0.000 0.459 462 D N 3.323 123.815 120.400 0.154 0.000 2.351 462 D HA 0.112 4.807 4.640 0.093 0.000 0.251 462 D C 1.229 177.624 176.300 0.159 0.000 1.137 462 D CA 0.351 54.441 54.000 0.150 0.000 0.879 462 D CB 1.822 42.696 40.800 0.123 0.000 1.181 462 D HN 0.462 nan 8.370 nan 0.000 0.448 463 S N 3.123 118.915 115.700 0.154 0.000 2.402 463 S HA -0.214 4.312 4.470 0.093 0.000 0.233 463 S C 1.649 176.327 174.600 0.129 0.000 1.030 463 S CA 1.162 59.445 58.200 0.138 0.000 1.003 463 S CB -0.077 63.191 63.200 0.115 0.000 0.813 463 S HN 0.612 nan 8.310 nan 0.000 0.477 464 K N 0.384 120.853 120.400 0.116 0.000 2.211 464 K HA -0.114 4.262 4.320 0.093 0.000 0.204 464 K C 1.649 178.302 176.600 0.089 0.000 1.047 464 K CA 1.675 58.021 56.287 0.097 0.000 0.935 464 K CB -0.146 32.405 32.500 0.086 0.000 0.728 464 K HN 0.299 nan 8.250 nan 0.000 0.452 465 T N -1.010 113.610 114.554 0.110 0.000 2.939 465 T HA 0.019 4.424 4.350 0.093 0.000 0.254 465 T C 0.435 175.207 174.700 0.121 0.000 1.041 465 T CA 0.618 62.790 62.100 0.121 0.000 1.142 465 T CB 0.257 69.232 68.868 0.179 0.000 0.874 465 T HN 0.116 nan 8.240 nan 0.000 0.452 466 S N -0.627 115.145 115.700 0.120 0.000 2.603 466 S HA 0.387 4.912 4.470 0.093 0.000 0.274 466 S C -0.158 174.474 174.600 0.053 0.000 1.168 466 S CA -0.835 57.394 58.200 0.048 0.000 0.963 466 S CB 0.966 64.147 63.200 -0.032 0.000 1.078 466 S HN 0.310 nan 8.310 nan 0.000 0.477 467 Y N 4.520 124.762 120.300 -0.097 0.000 2.163 467 Y HA 0.256 4.860 4.550 0.091 0.000 0.288 467 Y C 1.458 177.283 175.900 -0.125 0.000 1.136 467 Y CA 2.251 60.311 58.100 -0.066 0.000 1.147 467 Y CB 0.098 38.513 38.460 -0.075 0.000 0.987 467 Y HN 0.756 nan 8.280 nan 0.000 0.509 468 G N -2.079 106.538 108.800 -0.305 0.000 5.414 468 G HA2 0.423 4.439 3.960 0.093 0.000 0.202 468 G HA3 0.423 4.439 3.960 0.093 0.000 0.202 468 G C 0.498 174.488 174.900 -1.517 0.000 0.727 468 G CA -0.080 44.577 45.100 -0.738 0.000 0.670 468 G HN 0.858 nan 8.290 nan 0.000 0.442 469 G N 0.403 108.029 108.800 -1.957 0.000 2.307 469 G HA2 -0.208 3.808 3.960 0.093 0.000 0.210 469 G HA3 -0.208 3.808 3.960 0.093 0.000 0.210 469 G C 0.491 175.031 174.900 -0.601 0.000 1.005 469 G CA 0.294 44.459 45.100 -1.559 0.000 0.634 469 G HN 0.969 nan 8.290 nan 0.000 0.496 470 E N 1.715 121.673 120.200 -0.404 0.000 2.392 470 E HA 0.433 4.838 4.350 0.093 0.000 0.256 470 E C 1.235 177.777 176.600 -0.096 0.000 1.145 470 E CA 0.586 56.873 56.400 -0.190 0.000 0.929 470 E CB 0.358 29.980 29.700 -0.130 0.000 0.998 470 E HN 1.813 nan 8.360 nan 0.000 0.442 471 G N 1.735 110.521 108.800 -0.024 0.000 2.203 471 G HA2 -0.266 3.750 3.960 0.093 0.000 0.263 471 G HA3 -0.266 3.750 3.960 0.093 0.000 0.263 471 G C 0.484 175.492 174.900 0.180 0.000 1.012 471 G CA 0.635 45.773 45.100 0.065 0.000 0.749 471 G HN 0.466 nan 8.290 nan 0.000 0.512 472 L N -0.717 120.560 121.223 0.090 0.000 2.700 472 L HA 0.248 4.643 4.340 0.093 0.000 0.234 472 L C 2.140 178.985 176.870 -0.041 0.000 1.156 472 L CA 0.178 55.048 54.840 0.050 0.000 0.946 472 L CB 0.174 42.203 42.059 -0.050 0.000 1.216 472 L HN 0.186 nan 8.230 nan 0.000 0.493 473 E N 0.688 120.931 120.200 0.071 0.000 2.085 473 E HA -0.269 4.137 4.350 0.093 0.000 0.194 473 E C 1.799 178.430 176.600 0.051 0.000 0.994 473 E CA 1.685 58.111 56.400 0.044 0.000 0.801 473 E CB -0.322 29.420 29.700 0.070 0.000 0.743 473 E HN 0.586 nan 8.360 nan 0.000 0.453 474 F N -0.459 119.514 119.950 0.039 0.000 2.411 474 F HA -0.137 4.445 4.527 0.092 0.000 0.299 474 F C 1.839 177.692 175.800 0.088 0.000 1.077 474 F CA 0.472 58.505 58.000 0.054 0.000 1.439 474 F CB -0.717 38.316 39.000 0.055 0.000 1.085 474 F HN -0.073 nan 8.300 nan 0.000 0.564 475 V N 1.049 120.567 119.914 -0.660 0.000 3.380 475 V HA -0.076 4.100 4.120 0.093 0.000 0.268 475 V C 0.795 176.826 176.094 -0.105 0.000 1.168 475 V CA 0.536 62.565 62.300 -0.451 0.000 1.156 475 V CB -1.348 30.200 31.823 -0.459 0.000 0.785 475 V HN 0.464 nan 8.190 nan 0.000 0.487 476 N N 0.764 119.420 118.700 -0.075 0.000 2.357 476 N HA 0.201 4.997 4.740 0.093 0.000 0.257 476 N C 1.271 176.763 175.510 -0.029 0.000 1.250 476 N CA 1.525 54.555 53.050 -0.032 0.000 0.862 476 N CB 0.652 39.133 38.487 -0.010 0.000 1.066 476 N HN 0.401 nan 8.380 nan 0.000 0.468 477 G N 0.455 109.226 108.800 -0.048 0.000 2.353 477 G HA2 -0.351 3.665 3.960 0.093 0.000 0.258 477 G HA3 -0.351 3.665 3.960 0.093 0.000 0.258 477 G C 0.441 175.273 174.900 -0.113 0.000 1.013 477 G CA 1.251 46.313 45.100 -0.063 0.000 0.622 477 G HN 0.955 nan 8.290 nan 0.000 0.535 478 K N 1.529 121.855 120.400 -0.124 0.000 2.355 478 K HA 0.545 4.920 4.320 0.093 0.000 0.270 478 K C 0.302 176.597 176.600 -0.508 0.000 1.003 478 K CA 0.349 56.481 56.287 -0.257 0.000 0.957 478 K CB 0.086 32.426 32.500 -0.267 0.000 0.939 478 K HN 0.598 nan 8.250 nan 0.000 0.482 479 H N -0.388 118.330 119.070 -0.585 0.000 2.525 479 H HA 0.714 5.325 4.556 0.093 0.000 0.340 479 H C -1.020 173.741 175.328 -0.945 0.000 1.168 479 H CA -0.294 55.451 56.048 -0.505 0.000 1.247 479 H CB 1.282 30.903 29.762 -0.235 0.000 1.568 479 H HN 0.534 nan 8.280 nan 0.000 0.536 480 F N -0.684 119.339 119.950 0.121 0.000 2.613 480 F HA 0.464 5.047 4.527 0.093 0.000 0.310 480 F C 0.441 176.285 175.800 0.073 0.000 1.085 480 F CA -0.810 57.234 58.000 0.073 0.000 0.945 480 F CB 1.085 40.102 39.000 0.029 0.000 1.298 480 F HN 0.461 nan 8.300 nan 0.000 0.455 481 K N 0.215 120.759 120.400 0.240 0.000 2.185 481 K HA 0.620 4.995 4.320 0.093 0.000 0.240 481 K C -0.671 176.005 176.600 0.126 0.000 0.983 481 K CA -1.082 55.290 56.287 0.143 0.000 0.873 481 K CB 0.851 33.408 32.500 0.095 0.000 1.118 481 K HN 0.721 nan 8.250 nan 0.000 0.441 482 N N 0.054 118.803 118.700 0.082 0.000 2.411 482 N HA 0.307 5.103 4.740 0.093 0.000 0.261 482 N C 1.159 176.700 175.510 0.051 0.000 1.248 482 N CA 2.204 55.288 53.050 0.057 0.000 0.885 482 N CB 0.322 38.832 38.487 0.038 0.000 1.062 482 N HN 1.244 nan 8.380 nan 0.000 0.471 483 G N 1.894 110.718 108.800 0.041 0.000 2.176 483 G HA2 -0.240 3.776 3.960 0.093 0.000 0.253 483 G HA3 -0.240 3.776 3.960 0.093 0.000 0.253 483 G C -0.355 174.574 174.900 0.049 0.000 0.979 483 G CA 0.046 45.167 45.100 0.035 0.000 0.641 483 G HN 0.655 nan 8.290 nan 0.000 0.530 484 D N 0.066 120.509 120.400 0.072 0.000 2.362 484 D HA 0.500 5.196 4.640 0.093 0.000 0.242 484 D C 0.886 177.221 176.300 0.058 0.000 1.132 484 D CA 0.270 54.328 54.000 0.097 0.000 0.907 484 D CB 0.899 41.813 40.800 0.191 0.000 1.195 484 D HN 0.314 nan 8.370 nan 0.000 0.429 485 I N 2.271 122.886 120.570 0.074 0.000 2.389 485 I HA 0.320 4.546 4.170 0.093 0.000 0.288 485 I C 0.217 176.383 176.117 0.081 0.000 0.999 485 I CA -0.502 60.836 61.300 0.063 0.000 1.129 485 I CB 1.042 39.083 38.000 0.069 0.000 1.288 485 I HN 0.080 nan 8.210 nan 0.000 0.444 486 I N 0.000 120.598 120.570 0.047 0.000 2.984 486 I HA 0.000 4.226 4.170 0.093 0.000 0.288 486 I CA 0.000 61.348 61.300 0.081 0.000 1.566 486 I CB 0.000 37.931 38.000 -0.115 0.000 1.214 486 I HN 0.000 nan 8.210 nan 0.000 0.494