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 2yqh_1_B DATA FIRST_RESID 3 DATA SEQUENCE VKSQQQIIDS FKQANQDQLF QYYDSLTIDQ QQEFIDQLST IEEPAKLIST DATA SEQUENCE VEQAIQXXXX XXXXRNFTQL PNEQTASTLD LSKDILQNWT ELGLKAIGNG DATA SEQUENCE EVAVLLMAXX XXXXXXXXAP 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 NLENGEFYKP 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 0.021 0.000 1.235 3 V CB 0.000 31.834 31.823 0.018 0.000 1.184 4 K N 3.363 123.780 120.400 0.027 0.000 2.205 4 K HA 0.689 5.009 4.320 -0.001 0.000 0.279 4 K C 0.587 177.204 176.600 0.027 0.000 1.027 4 K CA 0.582 56.884 56.287 0.026 0.000 0.932 4 K CB 1.792 34.313 32.500 0.035 0.000 1.032 4 K HN 0.733 nan 8.250 nan 0.000 0.466 5 S N 0.847 116.559 115.700 0.019 0.000 2.641 5 S HA -0.053 4.417 4.470 -0.001 0.000 0.261 5 S C 1.306 175.918 174.600 0.019 0.000 1.257 5 S CA -0.350 57.861 58.200 0.019 0.000 0.983 5 S CB 1.179 64.386 63.200 0.011 0.000 0.990 5 S HN 0.793 nan 8.310 nan 0.000 0.572 6 Q N -0.191 119.624 119.800 0.024 0.000 2.061 6 Q HA -0.246 4.094 4.340 -0.001 0.000 0.204 6 Q C 2.144 178.127 176.000 -0.029 0.000 0.984 6 Q CA 1.946 57.764 55.803 0.026 0.000 0.846 6 Q CB -0.377 28.400 28.738 0.064 0.000 0.902 6 Q HN 0.815 nan 8.270 nan 0.000 0.421 7 Q N 0.327 120.105 119.800 -0.036 0.000 2.119 7 Q HA -0.139 4.201 4.340 -0.001 0.000 0.201 7 Q C 1.870 177.826 176.000 -0.074 0.000 0.972 7 Q CA 1.838 57.594 55.803 -0.079 0.000 0.847 7 Q CB 0.050 28.754 28.738 -0.055 0.000 0.903 7 Q HN 0.504 nan 8.270 nan 0.000 0.433 8 Q N -0.683 119.096 119.800 -0.034 0.000 2.167 8 Q HA -0.112 4.228 4.340 -0.001 0.000 0.202 8 Q C 1.734 177.736 176.000 0.004 0.000 0.970 8 Q CA 1.000 56.792 55.803 -0.018 0.000 0.855 8 Q CB 0.012 28.748 28.738 -0.004 0.000 0.911 8 Q HN 0.389 nan 8.270 nan 0.000 0.438 9 I N 0.613 121.198 120.570 0.025 0.000 2.233 9 I HA -0.225 3.945 4.170 -0.001 0.000 0.243 9 I C 2.262 178.469 176.117 0.149 0.000 1.093 9 I CA 1.282 62.652 61.300 0.117 0.000 1.380 9 I CB -0.794 37.262 38.000 0.093 0.000 1.067 9 I HN 0.252 nan 8.210 nan 0.000 0.413 10 I N 0.873 121.389 120.570 -0.089 0.000 2.127 10 I HA -0.328 3.842 4.170 -0.001 0.000 0.241 10 I C 2.189 178.177 176.117 -0.216 0.000 1.075 10 I CA 1.522 62.586 61.300 -0.394 0.000 1.334 10 I CB -0.492 37.077 38.000 -0.719 0.000 1.040 10 I HN 0.199 nan 8.210 nan 0.000 0.405 11 D N 0.584 120.899 120.400 -0.142 0.000 2.123 11 D HA -0.167 4.472 4.640 -0.001 0.000 0.196 11 D C 2.380 178.667 176.300 -0.022 0.000 0.992 11 D CA 1.887 55.836 54.000 -0.085 0.000 0.833 11 D CB -0.289 40.469 40.800 -0.071 0.000 0.954 11 D HN 0.383 nan 8.370 nan 0.000 0.455 12 S N -0.267 115.432 115.700 -0.001 0.000 2.382 12 S HA -0.146 4.323 4.470 -0.001 0.000 0.228 12 S C 2.053 176.592 174.600 -0.103 0.000 1.027 12 S CA 0.617 58.781 58.200 -0.060 0.000 0.991 12 S CB -0.736 62.404 63.200 -0.101 0.000 0.823 12 S HN 0.138 nan 8.310 nan 0.000 0.469 13 F N 2.015 121.996 119.950 0.052 0.000 2.293 13 F HA 0.262 4.789 4.527 -0.000 0.000 0.297 13 F C 2.575 178.457 175.800 0.136 0.000 1.089 13 F CA 0.821 58.894 58.000 0.121 0.000 1.377 13 F CB -0.138 39.002 39.000 0.234 0.000 1.051 13 F HN 0.132 nan 8.300 nan 0.000 0.511 14 K N -0.045 120.505 120.400 0.250 0.000 2.097 14 K HA -0.167 4.152 4.320 -0.001 0.000 0.205 14 K C 1.915 178.561 176.600 0.076 0.000 1.050 14 K CA 1.203 57.581 56.287 0.152 0.000 0.938 14 K CB -0.302 32.222 32.500 0.040 0.000 0.718 14 K HN 0.365 nan 8.250 nan 0.000 0.442 15 Q N -0.118 119.701 119.800 0.032 0.000 2.291 15 Q HA -0.049 4.290 4.340 -0.001 0.000 0.205 15 Q C 1.414 177.417 176.000 0.005 0.000 0.970 15 Q CA 1.014 56.820 55.803 0.005 0.000 0.876 15 Q CB 0.100 28.825 28.738 -0.021 0.000 0.935 15 Q HN 0.248 nan 8.270 nan 0.000 0.455 16 A N 0.820 123.643 122.820 0.006 0.000 2.370 16 A HA 0.055 4.374 4.320 -0.001 0.000 0.238 16 A C -0.116 177.506 177.584 0.063 0.000 1.289 16 A CA -0.282 51.759 52.037 0.007 0.000 0.885 16 A CB 0.054 19.019 19.000 -0.058 0.000 0.961 16 A HN 0.364 nan 8.150 nan 0.000 0.499 17 N N -0.287 118.459 118.700 0.077 0.000 2.747 17 N HA -0.130 4.610 4.740 -0.001 0.000 0.249 17 N C -0.351 175.232 175.510 0.122 0.000 1.107 17 N CA 0.937 54.042 53.050 0.091 0.000 0.707 17 N CB -0.979 37.551 38.487 0.072 0.000 1.054 17 N HN 0.597 nan 8.380 nan 0.000 0.555 18 Q N -0.133 119.771 119.800 0.173 0.000 2.225 18 Q HA 0.153 4.493 4.340 -0.001 0.000 0.259 18 Q C 0.526 176.642 176.000 0.192 0.000 0.872 18 Q CA -0.086 55.827 55.803 0.183 0.000 1.042 18 Q CB 0.080 28.985 28.738 0.279 0.000 1.142 18 Q HN 0.335 nan 8.270 nan 0.000 0.463 19 D N 1.399 121.920 120.400 0.201 0.000 2.190 19 D HA -0.235 4.405 4.640 -0.001 0.000 0.200 19 D C 1.922 178.325 176.300 0.173 0.000 0.992 19 D CA 1.298 55.444 54.000 0.242 0.000 0.854 19 D CB 0.271 41.158 40.800 0.145 0.000 0.936 19 D HN 0.293 nan 8.370 nan 0.000 0.462 20 Q N 0.927 120.775 119.800 0.079 0.000 2.291 20 Q HA -0.137 4.203 4.340 -0.001 0.000 0.205 20 Q C 1.917 177.910 176.000 -0.012 0.000 0.970 20 Q CA 0.899 56.721 55.803 0.032 0.000 0.876 20 Q CB -0.612 28.143 28.738 0.030 0.000 0.935 20 Q HN 0.398 nan 8.270 nan 0.000 0.455 21 L N -0.481 120.663 121.223 -0.133 0.000 2.265 21 L HA -0.028 4.312 4.340 -0.001 0.000 0.215 21 L C 1.184 177.832 176.870 -0.370 0.000 1.117 21 L CA 0.883 55.540 54.840 -0.306 0.000 0.782 21 L CB -0.316 41.358 42.059 -0.642 0.000 0.914 21 L HN 0.077 nan 8.230 nan 0.000 0.441 22 F N -1.329 118.719 119.950 0.163 0.000 2.639 22 F HA 0.105 4.632 4.527 -0.001 0.000 0.302 22 F C 2.181 178.055 175.800 0.122 0.000 1.097 22 F CA -0.195 57.913 58.000 0.180 0.000 1.294 22 F CB -0.163 38.842 39.000 0.007 0.000 1.027 22 F HN 0.012 nan 8.300 nan 0.000 0.550 23 Q N 0.180 120.034 119.800 0.091 0.000 2.197 23 Q HA -0.221 4.118 4.340 -0.001 0.000 0.207 23 Q C 0.670 176.472 176.000 -0.331 0.000 0.984 23 Q CA 1.995 57.678 55.803 -0.200 0.000 0.869 23 Q CB -0.041 28.405 28.738 -0.487 0.000 0.906 23 Q HN 0.592 nan 8.270 nan 0.000 0.426 24 Y N -2.640 117.740 120.300 0.134 0.000 2.557 24 Y HA 0.084 4.634 4.550 -0.001 0.000 0.247 24 Y C 1.008 176.991 175.900 0.139 0.000 1.164 24 Y CA -0.560 57.596 58.100 0.094 0.000 1.218 24 Y CB -0.103 38.365 38.460 0.014 0.000 1.210 24 Y HN 0.129 nan 8.280 nan 0.000 0.529 25 Y N 1.864 122.309 120.300 0.242 0.000 2.114 25 Y HA -0.313 4.237 4.550 -0.000 0.000 0.282 25 Y C 1.670 177.669 175.900 0.165 0.000 1.165 25 Y CA 2.053 60.306 58.100 0.254 0.000 1.148 25 Y CB -0.086 38.606 38.460 0.388 0.000 0.972 25 Y HN 0.103 nan 8.280 nan 0.000 0.504 26 D N -1.079 119.479 120.400 0.264 0.000 2.264 26 D HA -0.126 4.514 4.640 -0.001 0.000 0.208 26 D C 2.167 178.500 176.300 0.055 0.000 0.966 26 D CA 1.411 55.493 54.000 0.137 0.000 0.864 26 D CB -0.341 40.541 40.800 0.137 0.000 0.933 26 D HN 0.486 nan 8.370 nan 0.000 0.499 27 S N -0.617 115.125 115.700 0.069 0.000 2.575 27 S HA 0.092 4.562 4.470 -0.001 0.000 0.215 27 S C 0.964 175.560 174.600 -0.006 0.000 0.966 27 S CA -0.342 57.885 58.200 0.044 0.000 0.911 27 S CB -0.067 63.188 63.200 0.091 0.000 0.780 27 S HN 0.065 nan 8.310 nan 0.000 0.514 28 L N 2.715 123.903 121.223 -0.057 0.000 2.439 28 L HA 0.359 4.699 4.340 -0.001 0.000 0.261 28 L C 1.078 177.882 176.870 -0.110 0.000 1.153 28 L CA -0.658 54.116 54.840 -0.109 0.000 0.808 28 L CB 0.546 42.488 42.059 -0.196 0.000 1.126 28 L HN 0.235 nan 8.230 nan 0.000 0.460 29 T N -2.269 112.230 114.554 -0.091 0.000 2.828 29 T HA 0.250 4.600 4.350 -0.001 0.000 0.290 29 T C 1.315 175.963 174.700 -0.086 0.000 1.019 29 T CA -0.569 61.489 62.100 -0.070 0.000 1.031 29 T CB 0.919 69.756 68.868 -0.052 0.000 1.001 29 T HN 0.437 nan 8.240 nan 0.000 0.531 30 I N 0.439 120.973 120.570 -0.061 0.000 2.264 30 I HA -0.166 4.003 4.170 -0.001 0.000 0.248 30 I C 2.444 178.540 176.117 -0.035 0.000 1.111 30 I CA 1.873 63.143 61.300 -0.050 0.000 1.382 30 I CB -0.470 37.518 38.000 -0.020 0.000 1.060 30 I HN 0.823 nan 8.210 nan 0.000 0.418 31 D N 0.408 120.791 120.400 -0.028 0.000 2.117 31 D HA -0.220 4.419 4.640 -0.001 0.000 0.197 31 D C 2.254 178.546 176.300 -0.014 0.000 0.987 31 D CA 1.381 55.373 54.000 -0.014 0.000 0.829 31 D CB 0.088 40.879 40.800 -0.016 0.000 0.961 31 D HN 0.330 nan 8.370 nan 0.000 0.460 32 Q N -0.468 119.306 119.800 -0.042 0.000 2.119 32 Q HA -0.171 4.168 4.340 -0.001 0.000 0.201 32 Q C 2.329 178.322 176.000 -0.012 0.000 0.972 32 Q CA 1.052 56.828 55.803 -0.047 0.000 0.847 32 Q CB -0.061 28.623 28.738 -0.090 0.000 0.903 32 Q HN 0.486 nan 8.270 nan 0.000 0.433 33 Q N 0.552 120.308 119.800 -0.074 0.000 2.050 33 Q HA -0.204 4.136 4.340 -0.001 0.000 0.202 33 Q C 2.089 178.194 176.000 0.175 0.000 0.980 33 Q CA 1.270 57.038 55.803 -0.058 0.000 0.840 33 Q CB -0.085 28.434 28.738 -0.364 0.000 0.898 33 Q HN 0.453 nan 8.270 nan 0.000 0.424 34 Q N 0.309 120.168 119.800 0.098 0.000 2.124 34 Q HA -0.172 4.168 4.340 -0.001 0.000 0.202 34 Q C 2.002 178.074 176.000 0.120 0.000 0.977 34 Q CA 0.887 56.755 55.803 0.110 0.000 0.850 34 Q CB 0.051 28.827 28.738 0.063 0.000 0.901 34 Q HN 0.292 nan 8.270 nan 0.000 0.429 35 E N 0.328 120.593 120.200 0.109 0.000 2.106 35 E HA -0.139 4.211 4.350 -0.001 0.000 0.192 35 E C 1.634 178.351 176.600 0.195 0.000 0.984 35 E CA 0.772 57.237 56.400 0.109 0.000 0.806 35 E CB -0.254 29.485 29.700 0.065 0.000 0.750 35 E HN 0.396 nan 8.360 nan 0.000 0.458 36 F N 0.868 120.843 119.950 0.042 0.000 2.134 36 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 36 F C 2.040 177.880 175.800 0.065 0.000 1.097 36 F CA 0.493 58.526 58.000 0.055 0.000 1.264 36 F CB 0.172 39.251 39.000 0.132 0.000 1.001 36 F HN -0.028 nan 8.300 nan 0.000 0.479 37 I N 0.698 121.366 120.570 0.164 0.000 2.226 37 I HA -0.286 3.884 4.170 -0.001 0.000 0.245 37 I C 1.905 178.031 176.117 0.015 0.000 1.100 37 I CA 1.409 62.722 61.300 0.021 0.000 1.374 37 I CB -1.478 36.585 38.000 0.105 0.000 1.057 37 I HN 0.166 nan 8.210 nan 0.000 0.413 38 D N 0.262 120.699 120.400 0.062 0.000 2.144 38 D HA -0.227 4.413 4.640 -0.001 0.000 0.199 38 D C 2.136 178.461 176.300 0.042 0.000 0.984 38 D CA 1.010 55.041 54.000 0.052 0.000 0.834 38 D CB -0.227 40.608 40.800 0.057 0.000 0.955 38 D HN 0.470 nan 8.370 nan 0.000 0.465 39 Q N 0.220 120.050 119.800 0.050 0.000 2.079 39 Q HA -0.094 4.245 4.340 -0.001 0.000 0.200 39 Q C 2.299 178.291 176.000 -0.013 0.000 0.974 39 Q CA 0.771 56.600 55.803 0.043 0.000 0.840 39 Q CB -0.082 28.717 28.738 0.102 0.000 0.898 39 Q HN 0.271 nan 8.270 nan 0.000 0.430 40 L N 0.309 121.450 121.223 -0.137 0.000 2.131 40 L HA -0.130 4.210 4.340 -0.001 0.000 0.210 40 L C 2.447 179.353 176.870 0.059 0.000 1.092 40 L CA 0.862 55.559 54.840 -0.239 0.000 0.759 40 L CB -0.251 41.413 42.059 -0.658 0.000 0.903 40 L HN 0.158 nan 8.230 nan 0.000 0.435 41 S N -0.776 114.957 115.700 0.055 0.000 2.447 41 S HA -0.133 4.337 4.470 -0.001 0.000 0.233 41 S C 1.956 176.616 174.600 0.099 0.000 1.006 41 S CA 1.588 59.848 58.200 0.100 0.000 0.957 41 S CB -0.309 62.931 63.200 0.066 0.000 0.773 41 S HN 0.643 nan 8.310 nan 0.000 0.507 42 T N -0.398 114.207 114.554 0.086 0.000 3.160 42 T HA 0.241 4.591 4.350 -0.001 0.000 0.257 42 T C 0.483 175.245 174.700 0.105 0.000 1.147 42 T CA 0.115 62.265 62.100 0.082 0.000 1.064 42 T CB -0.487 68.421 68.868 0.067 0.000 0.949 42 T HN 0.236 nan 8.240 nan 0.000 0.526 43 I N 2.492 123.151 120.570 0.149 0.000 2.301 43 I HA 0.401 4.570 4.170 -0.001 0.000 0.292 43 I C 0.820 177.013 176.117 0.128 0.000 1.046 43 I CA -0.560 60.841 61.300 0.168 0.000 1.282 43 I CB 0.445 38.608 38.000 0.271 0.000 1.409 43 I HN 0.307 nan 8.210 nan 0.000 0.484 44 E N 4.810 125.070 120.200 0.101 0.000 2.351 44 E HA 0.350 4.700 4.350 -0.001 0.000 0.266 44 E C 0.805 177.435 176.600 0.049 0.000 1.031 44 E CA 0.222 56.664 56.400 0.071 0.000 0.911 44 E CB -0.069 29.676 29.700 0.074 0.000 0.986 44 E HN 0.834 nan 8.360 nan 0.000 0.446 45 E N 2.997 123.204 120.200 0.012 0.000 2.216 45 E HA -0.167 4.182 4.350 -0.001 0.000 0.162 45 E C -0.773 175.797 176.600 -0.049 0.000 1.642 45 E CA 0.585 56.968 56.400 -0.028 0.000 0.599 45 E CB -2.095 27.599 29.700 -0.012 0.000 1.045 45 E HN 0.635 nan 8.360 nan 0.000 0.308 46 P HA -0.252 nan 4.420 nan 0.000 0.215 46 P C 1.778 179.002 177.300 -0.127 0.000 1.157 46 P CA 2.024 65.003 63.100 -0.202 0.000 0.874 46 P CB -0.165 31.085 31.700 -0.749 0.000 0.790 47 A N 0.843 123.564 122.820 -0.164 0.000 1.903 47 A HA -0.257 4.063 4.320 -0.001 0.000 0.219 47 A C 2.598 180.164 177.584 -0.029 0.000 1.191 47 A CA 3.514 55.499 52.037 -0.087 0.000 0.638 47 A CB -1.786 17.162 19.000 -0.087 0.000 0.823 47 A HN 0.321 nan 8.150 nan 0.000 0.451 48 K N -0.813 119.571 120.400 -0.027 0.000 2.148 48 K HA 0.101 4.421 4.320 -0.001 0.000 0.204 48 K C 1.984 178.593 176.600 0.015 0.000 1.050 48 K CA 1.617 57.896 56.287 -0.013 0.000 0.942 48 K CB -1.032 31.457 32.500 -0.018 0.000 0.724 48 K HN 0.508 nan 8.250 nan 0.000 0.446 49 L N 0.029 121.293 121.223 0.067 0.000 2.109 49 L HA 0.138 4.478 4.340 -0.001 0.000 0.207 49 L C 2.312 179.289 176.870 0.178 0.000 1.086 49 L CA 1.204 56.144 54.840 0.166 0.000 0.760 49 L CB -0.007 42.199 42.059 0.245 0.000 0.910 49 L HN 0.405 nan 8.230 nan 0.000 0.437 50 I N -1.584 119.084 120.570 0.163 0.000 2.439 50 I HA -0.211 3.959 4.170 -0.001 0.000 0.251 50 I C 2.562 178.709 176.117 0.051 0.000 1.139 50 I CA 1.192 62.597 61.300 0.175 0.000 1.438 50 I CB -0.371 37.755 38.000 0.210 0.000 1.085 50 I HN 0.267 nan 8.210 nan 0.000 0.427 51 S N 0.145 115.859 115.700 0.023 0.000 2.377 51 S HA -0.141 4.329 4.470 -0.001 0.000 0.223 51 S C 2.088 176.658 174.600 -0.050 0.000 1.030 51 S CA 1.860 60.051 58.200 -0.015 0.000 0.970 51 S CB -0.236 62.951 63.200 -0.022 0.000 0.830 51 S HN 0.371 nan 8.310 nan 0.000 0.473 52 T N 1.809 116.326 114.554 -0.062 0.000 2.803 52 T HA -0.064 4.285 4.350 -0.001 0.000 0.269 52 T C 1.766 176.396 174.700 -0.116 0.000 1.052 52 T CA 1.417 63.431 62.100 -0.144 0.000 1.136 52 T CB -0.384 68.340 68.868 -0.240 0.000 0.864 52 T HN 0.253 nan 8.240 nan 0.000 0.467 53 V N 1.601 121.489 119.914 -0.044 0.000 2.295 53 V HA -0.136 3.984 4.120 -0.001 0.000 0.246 53 V C 3.087 179.109 176.094 -0.121 0.000 1.049 53 V CA 2.336 64.578 62.300 -0.096 0.000 1.024 53 V CB -1.277 30.272 31.823 -0.458 0.000 0.648 53 V HN 0.690 nan 8.190 nan 0.000 0.447 54 E N -0.317 119.821 120.200 -0.102 0.000 2.209 54 E HA -0.305 4.044 4.350 -0.001 0.000 0.196 54 E C 1.982 178.539 176.600 -0.072 0.000 0.993 54 E CA 1.544 57.901 56.400 -0.073 0.000 0.819 54 E CB -0.501 29.172 29.700 -0.045 0.000 0.745 54 E HN 0.713 nan 8.360 nan 0.000 0.477 55 Q N -0.770 118.977 119.800 -0.089 0.000 2.187 55 Q HA 0.153 4.492 4.340 -0.001 0.000 0.199 55 Q C 2.543 178.479 176.000 -0.106 0.000 0.957 55 Q CA 1.320 57.063 55.803 -0.099 0.000 0.857 55 Q CB -0.345 28.316 28.738 -0.128 0.000 0.929 55 Q HN 0.613 nan 8.270 nan 0.000 0.453 56 A N 0.921 123.676 122.820 -0.108 0.000 1.969 56 A HA -0.077 4.242 4.320 -0.001 0.000 0.218 56 A C 2.102 179.637 177.584 -0.081 0.000 1.169 56 A CA 0.831 52.807 52.037 -0.103 0.000 0.635 56 A CB -0.473 18.503 19.000 -0.041 0.000 0.810 56 A HN 0.285 nan 8.150 nan 0.000 0.445 57 I N -0.787 119.742 120.570 -0.068 0.000 2.716 57 I HA -0.037 4.133 4.170 -0.001 0.000 0.259 57 I C 2.092 178.186 176.117 -0.038 0.000 1.172 57 I CA 0.643 61.914 61.300 -0.048 0.000 1.478 57 I CB -0.497 37.476 38.000 -0.045 0.000 1.104 57 I HN 0.568 nan 8.210 nan 0.000 0.439 68 N N 2.758 121.076 118.700 -0.637 0.000 2.444 68 N HA 0.620 5.359 4.740 -0.001 0.000 0.262 68 N C -1.078 174.177 175.510 -0.424 0.000 0.974 68 N CA -0.203 52.586 53.050 -0.436 0.000 0.933 68 N CB 1.312 39.694 38.487 -0.175 0.000 1.137 68 N HN 0.507 nan 8.380 nan 0.000 0.498 69 F N -0.216 119.785 119.950 0.085 0.000 2.561 69 F HA 0.534 5.061 4.527 -0.001 0.000 0.321 69 F C 1.036 176.923 175.800 0.145 0.000 1.065 69 F CA -0.819 57.225 58.000 0.073 0.000 0.934 69 F CB 2.471 41.492 39.000 0.036 0.000 1.215 69 F HN 0.191 nan 8.300 nan 0.000 0.471 70 T N -0.042 114.679 114.554 0.279 0.000 2.654 70 T HA 0.370 4.720 4.350 -0.001 0.000 0.289 70 T C -1.402 173.270 174.700 -0.046 0.000 1.062 70 T CA -0.625 61.599 62.100 0.208 0.000 1.041 70 T CB 1.589 70.599 68.868 0.236 0.000 1.417 70 T HN 0.623 nan 8.240 nan 0.000 0.510 71 Q N 1.167 120.918 119.800 -0.083 0.000 2.230 71 Q HA 0.525 4.864 4.340 -0.001 0.000 0.248 71 Q C -0.268 175.715 176.000 -0.029 0.000 0.915 71 Q CA -0.629 55.096 55.803 -0.130 0.000 0.900 71 Q CB 1.351 30.006 28.738 -0.139 0.000 1.229 71 Q HN 0.517 nan 8.270 nan 0.000 0.439 72 L N 3.875 125.079 121.223 -0.031 0.000 2.506 72 L HA 0.066 4.406 4.340 -0.001 0.000 0.281 72 L C -1.706 175.185 176.870 0.034 0.000 1.228 72 L CA -1.252 53.593 54.840 0.009 0.000 0.850 72 L CB -0.082 41.999 42.059 0.037 0.000 1.110 72 L HN 0.400 nan 8.230 nan 0.000 0.496 73 P HA 0.018 nan 4.420 nan 0.000 0.271 73 P C -0.111 177.232 177.300 0.073 0.000 1.216 73 P CA -0.274 62.861 63.100 0.059 0.000 0.776 73 P CB 0.661 32.397 31.700 0.059 0.000 0.881 74 N N 2.512 121.255 118.700 0.071 0.000 2.258 74 N HA -0.246 4.494 4.740 -0.001 0.000 0.187 74 N C 1.850 177.425 175.510 0.108 0.000 1.012 74 N CA 2.139 55.238 53.050 0.082 0.000 0.870 74 N CB -0.402 38.128 38.487 0.071 0.000 0.977 74 N HN 0.585 nan 8.380 nan 0.000 0.434 75 E N -0.230 120.033 120.200 0.106 0.000 2.333 75 E HA -0.129 4.221 4.350 -0.001 0.000 0.198 75 E C 1.564 178.270 176.600 0.178 0.000 1.007 75 E CA 1.188 57.665 56.400 0.128 0.000 0.845 75 E CB -0.510 29.253 29.700 0.105 0.000 0.766 75 E HN 0.478 nan 8.360 nan 0.000 0.507 76 Q N -0.298 119.596 119.800 0.157 0.000 2.319 76 Q HA 0.117 4.457 4.340 -0.001 0.000 0.209 76 Q C 0.924 177.021 176.000 0.162 0.000 0.884 76 Q CA 0.938 56.829 55.803 0.147 0.000 0.938 76 Q CB 0.649 29.462 28.738 0.125 0.000 1.098 76 Q HN 0.653 nan 8.270 nan 0.000 0.517 77 T N -1.765 112.894 114.554 0.175 0.000 2.945 77 T HA 0.869 5.219 4.350 -0.001 0.000 0.286 77 T C -0.327 174.493 174.700 0.199 0.000 1.025 77 T CA -0.558 61.635 62.100 0.154 0.000 1.039 77 T CB 2.370 71.289 68.868 0.086 0.000 1.068 77 T HN 0.102 nan 8.240 nan 0.000 0.497 78 A N 0.730 123.622 122.820 0.120 0.000 2.610 78 A HA 0.828 5.147 4.320 -0.001 0.000 0.291 78 A C -0.650 176.923 177.584 -0.017 0.000 1.086 78 A CA -0.808 51.300 52.037 0.118 0.000 0.677 78 A CB 1.502 20.656 19.000 0.257 0.000 1.278 78 A HN 1.307 nan 8.150 nan 0.000 0.414 79 S N -0.615 115.084 115.700 -0.001 0.000 2.614 79 S HA 0.491 4.960 4.470 -0.001 0.000 0.275 79 S C 0.816 175.391 174.600 -0.042 0.000 1.161 79 S CA 0.437 58.610 58.200 -0.044 0.000 0.969 79 S CB 1.200 64.381 63.200 -0.033 0.000 1.059 79 S HN 1.827 nan 8.310 nan 0.000 0.482 80 T N 2.925 117.444 114.554 -0.058 0.000 3.007 80 T HA 0.037 4.387 4.350 -0.001 0.000 0.270 80 T C 1.546 176.212 174.700 -0.056 0.000 1.107 80 T CA 0.812 62.879 62.100 -0.053 0.000 1.118 80 T CB -0.457 68.384 68.868 -0.046 0.000 0.889 80 T HN 0.592 nan 8.240 nan 0.000 0.506 81 L N 0.185 121.379 121.223 -0.050 0.000 2.492 81 L HA 0.185 4.524 4.340 -0.001 0.000 0.223 81 L C 1.659 178.504 176.870 -0.041 0.000 1.132 81 L CA 0.605 55.419 54.840 -0.042 0.000 0.850 81 L CB -0.085 41.952 42.059 -0.038 0.000 0.966 81 L HN 0.173 nan 8.230 nan 0.000 0.454 82 D N -0.974 119.400 120.400 -0.044 0.000 2.482 82 D HA 0.187 4.826 4.640 -0.001 0.000 0.251 82 D C 0.795 177.059 176.300 -0.061 0.000 1.073 82 D CA 0.063 54.038 54.000 -0.041 0.000 0.892 82 D CB 0.395 41.181 40.800 -0.023 0.000 1.202 82 D HN 0.040 nan 8.370 nan 0.000 0.496 83 L N 2.095 123.266 121.223 -0.086 0.000 2.485 83 L HA 0.071 4.410 4.340 -0.001 0.000 0.275 83 L C 1.106 177.883 176.870 -0.155 0.000 1.207 83 L CA -0.231 54.520 54.840 -0.147 0.000 0.855 83 L CB 0.362 42.269 42.059 -0.253 0.000 1.114 83 L HN 0.003 nan 8.230 nan 0.000 0.485 84 S N 2.140 117.742 115.700 -0.162 0.000 2.584 84 S HA 0.091 4.560 4.470 -0.001 0.000 0.270 84 S C 0.859 175.358 174.600 -0.169 0.000 1.346 84 S CA -0.571 57.546 58.200 -0.139 0.000 1.018 84 S CB 0.927 64.054 63.200 -0.122 0.000 0.899 84 S HN 0.616 nan 8.310 nan 0.000 0.542 85 K N 0.659 120.982 120.400 -0.128 0.000 2.147 85 K HA -0.128 4.192 4.320 -0.001 0.000 0.205 85 K C 1.261 177.774 176.600 -0.147 0.000 1.049 85 K CA 1.642 57.853 56.287 -0.126 0.000 0.936 85 K CB -0.284 32.163 32.500 -0.089 0.000 0.722 85 K HN 0.604 nan 8.250 nan 0.000 0.446 86 D N 1.048 121.364 120.400 -0.140 0.000 2.117 86 D HA -0.097 4.543 4.640 -0.001 0.000 0.198 86 D C 1.919 178.093 176.300 -0.211 0.000 0.982 86 D CA 0.970 54.887 54.000 -0.139 0.000 0.828 86 D CB -0.120 40.617 40.800 -0.105 0.000 0.967 86 D HN 0.170 nan 8.370 nan 0.000 0.464 87 I N 0.574 120.967 120.570 -0.296 0.000 2.226 87 I HA -0.222 3.948 4.170 -0.001 0.000 0.245 87 I C 2.360 178.025 176.117 -0.753 0.000 1.100 87 I CA 0.661 61.647 61.300 -0.523 0.000 1.374 87 I CB -0.115 37.536 38.000 -0.581 0.000 1.057 87 I HN -0.026 nan 8.210 nan 0.000 0.413 88 L N -0.023 120.885 121.223 -0.526 0.000 2.093 88 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 88 L C 2.661 179.412 176.870 -0.198 0.000 1.085 88 L CA 1.210 55.828 54.840 -0.371 0.000 0.755 88 L CB -0.541 41.388 42.059 -0.217 0.000 0.904 88 L HN 0.328 nan 8.230 nan 0.000 0.435 89 Q N 0.408 120.098 119.800 -0.183 0.000 2.084 89 Q HA -0.257 4.083 4.340 -0.001 0.000 0.202 89 Q C 1.974 177.910 176.000 -0.105 0.000 0.978 89 Q CA 1.972 57.700 55.803 -0.125 0.000 0.844 89 Q CB 0.009 28.683 28.738 -0.107 0.000 0.898 89 Q HN 0.419 nan 8.270 nan 0.000 0.426 90 N N -0.408 118.218 118.700 -0.123 0.000 2.166 90 N HA -0.176 4.564 4.740 -0.001 0.000 0.186 90 N C 1.157 176.739 175.510 0.121 0.000 1.019 90 N CA 1.629 54.660 53.050 -0.032 0.000 0.856 90 N CB -0.204 38.258 38.487 -0.042 0.000 0.993 90 N HN 0.322 nan 8.380 nan 0.000 0.426 91 W N 0.645 121.905 121.300 -0.066 0.000 2.388 91 W HA 0.092 4.751 4.660 -0.001 0.000 0.294 91 W C 2.275 178.731 176.519 -0.104 0.000 1.212 91 W CA 0.881 58.188 57.345 -0.065 0.000 1.271 91 W CB -1.350 28.104 29.460 -0.010 0.000 1.126 91 W HN 0.044 nan 8.180 nan 0.000 0.535 92 T N 0.487 115.099 114.554 0.097 0.000 2.720 92 T HA -0.205 4.144 4.350 -0.001 0.000 0.268 92 T C 1.512 176.102 174.700 -0.184 0.000 1.037 92 T CA 1.969 64.038 62.100 -0.051 0.000 1.144 92 T CB -0.161 68.647 68.868 -0.099 0.000 0.864 92 T HN 0.230 nan 8.240 nan 0.000 0.444 93 E N 0.584 120.643 120.200 -0.235 0.000 2.072 93 E HA 0.006 4.356 4.350 -0.001 0.000 0.191 93 E C 2.273 178.754 176.600 -0.199 0.000 0.985 93 E CA 0.678 56.804 56.400 -0.456 0.000 0.801 93 E CB -0.238 29.250 29.700 -0.354 0.000 0.750 93 E HN 0.392 nan 8.360 nan 0.000 0.452 94 L N 0.389 121.579 121.223 -0.054 0.000 2.042 94 L HA -0.148 4.191 4.340 -0.001 0.000 0.210 94 L C 2.576 179.410 176.870 -0.061 0.000 1.076 94 L CA 1.328 56.154 54.840 -0.023 0.000 0.749 94 L CB -0.725 41.322 42.059 -0.019 0.000 0.893 94 L HN 0.264 nan 8.230 nan 0.000 0.432 95 G N -0.088 108.662 108.800 -0.083 0.000 2.402 95 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.216 95 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.216 95 G C 1.623 176.483 174.900 -0.067 0.000 1.162 95 G CA 0.414 45.459 45.100 -0.092 0.000 0.777 95 G HN 0.231 nan 8.290 nan 0.000 0.539 96 L N 0.128 121.286 121.223 -0.108 0.000 2.201 96 L HA 0.013 4.353 4.340 -0.001 0.000 0.212 96 L C 2.773 179.685 176.870 0.070 0.000 1.105 96 L CA 1.197 55.996 54.840 -0.068 0.000 0.775 96 L CB -0.233 41.708 42.059 -0.196 0.000 0.913 96 L HN 0.243 nan 8.230 nan 0.000 0.440 97 K N 0.700 121.163 120.400 0.104 0.000 2.057 97 K HA -0.154 4.166 4.320 -0.001 0.000 0.206 97 K C 2.169 178.835 176.600 0.110 0.000 1.050 97 K CA 1.247 57.637 56.287 0.171 0.000 0.935 97 K CB -0.042 32.568 32.500 0.183 0.000 0.715 97 K HN 0.218 nan 8.250 nan 0.000 0.439 98 A N 1.623 124.491 122.820 0.081 0.000 1.877 98 A HA -0.143 4.177 4.320 -0.001 0.000 0.216 98 A C 2.122 179.780 177.584 0.124 0.000 1.186 98 A CA 1.546 53.653 52.037 0.118 0.000 0.620 98 A CB -0.607 18.442 19.000 0.082 0.000 0.822 98 A HN 0.358 nan 8.150 nan 0.000 0.443 99 I N -0.336 120.288 120.570 0.089 0.000 2.179 99 I HA -0.223 3.946 4.170 -0.001 0.000 0.242 99 I C 2.711 178.876 176.117 0.080 0.000 1.088 99 I CA 1.259 62.609 61.300 0.084 0.000 1.357 99 I CB -0.650 37.377 38.000 0.046 0.000 1.051 99 I HN 0.404 nan 8.210 nan 0.000 0.409 100 G N 0.654 109.503 108.800 0.082 0.000 2.450 100 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.220 100 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.220 100 G C 1.247 176.188 174.900 0.068 0.000 1.130 100 G CA 0.641 45.787 45.100 0.077 0.000 0.760 100 G HN 0.316 nan 8.290 nan 0.000 0.557 101 N N 0.737 119.484 118.700 0.079 0.000 2.370 101 N HA 0.126 4.866 4.740 -0.001 0.000 0.198 101 N C 1.550 177.104 175.510 0.072 0.000 1.156 101 N CA 0.704 53.796 53.050 0.070 0.000 0.839 101 N CB 0.144 38.676 38.487 0.076 0.000 0.989 101 N HN 0.356 nan 8.380 nan 0.000 0.468 102 G N 1.148 109.995 108.800 0.079 0.000 2.225 102 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.267 102 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.267 102 G C 0.529 175.487 174.900 0.096 0.000 1.024 102 G CA 0.318 45.467 45.100 0.081 0.000 0.784 102 G HN 0.476 nan 8.290 nan 0.000 0.507 103 E N -1.288 118.987 120.200 0.126 0.000 2.474 103 E HA 0.289 4.639 4.350 -0.001 0.000 0.195 103 E C 0.482 177.206 176.600 0.206 0.000 1.039 103 E CA 0.004 56.488 56.400 0.139 0.000 0.881 103 E CB 0.975 30.778 29.700 0.172 0.000 0.970 103 E HN 0.355 nan 8.360 nan 0.000 0.486 104 V N 1.270 121.310 119.914 0.210 0.000 2.495 104 V HA 0.652 4.771 4.120 -0.001 0.000 0.298 104 V C -0.263 175.968 176.094 0.229 0.000 1.031 104 V CA -0.757 61.690 62.300 0.245 0.000 0.871 104 V CB 1.548 33.504 31.823 0.222 0.000 0.988 104 V HN 0.121 nan 8.190 nan 0.000 0.432 105 A N 4.133 127.118 122.820 0.274 0.000 2.423 105 A HA 0.937 5.257 4.320 -0.001 0.000 0.304 105 A C -1.168 176.646 177.584 0.383 0.000 1.104 105 A CA -0.625 51.608 52.037 0.327 0.000 0.757 105 A CB 2.083 21.330 19.000 0.412 0.000 1.313 105 A HN 0.612 nan 8.150 nan 0.000 0.423 106 V N 1.568 121.741 119.914 0.432 0.000 2.495 106 V HA 0.444 4.564 4.120 -0.001 0.000 0.298 106 V C -0.523 175.912 176.094 0.569 0.000 1.031 106 V CA -0.331 62.262 62.300 0.488 0.000 0.871 106 V CB 1.465 33.545 31.823 0.429 0.000 0.988 106 V HN 0.727 nan 8.190 nan 0.000 0.432 107 L N 5.350 126.841 121.223 0.447 0.000 2.294 107 L HA 0.526 4.866 4.340 -0.001 0.000 0.283 107 L C -0.884 176.091 176.870 0.175 0.000 1.015 107 L CA -0.590 54.463 54.840 0.355 0.000 0.831 107 L CB 1.565 43.783 42.059 0.264 0.000 1.217 107 L HN 0.490 nan 8.230 nan 0.000 0.420 108 L N 5.088 126.385 121.223 0.123 0.000 2.282 108 L HA 0.502 4.842 4.340 -0.001 0.000 0.288 108 L C -0.439 176.358 176.870 -0.121 0.000 1.033 108 L CA -0.051 54.698 54.840 -0.151 0.000 0.807 108 L CB 1.469 43.533 42.059 0.009 0.000 1.209 108 L HN 0.526 nan 8.230 nan 0.000 0.423 109 M N 5.835 125.336 119.600 -0.165 0.000 2.111 109 M HA 0.595 5.074 4.480 -0.001 0.000 0.351 109 M C -0.083 176.181 176.300 -0.061 0.000 1.214 109 M CA -0.022 55.221 55.300 -0.094 0.000 1.120 109 M CB 0.861 33.429 32.600 -0.053 0.000 1.443 109 M HN 0.805 nan 8.290 nan 0.000 0.429 122 P HA 0.198 nan 4.420 nan 0.000 0.264 122 P C 0.873 178.145 177.300 -0.047 0.000 1.193 122 P CA -0.091 63.020 63.100 0.018 0.000 0.763 122 P CB 0.788 32.568 31.700 0.133 0.000 0.810 123 K N 2.366 122.725 120.400 -0.068 0.000 2.113 123 K HA -0.173 4.147 4.320 -0.001 0.000 0.208 123 K C 2.004 178.455 176.600 -0.249 0.000 1.047 123 K CA 1.908 58.129 56.287 -0.110 0.000 0.928 123 K CB -0.726 31.703 32.500 -0.119 0.000 0.716 123 K HN 0.685 nan 8.250 nan 0.000 0.446 124 G N 0.273 108.713 108.800 -0.600 0.000 2.462 124 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.220 124 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.220 124 G C 1.365 175.752 174.900 -0.855 0.000 1.121 124 G CA 1.026 45.243 45.100 -1.471 0.000 0.758 124 G HN 0.453 nan 8.290 nan 0.000 0.559 125 C N -0.331 118.723 119.300 -0.410 0.000 2.576 125 C HA 0.347 4.807 4.460 -0.001 0.000 0.267 125 C C 1.045 175.904 174.990 -0.218 0.000 1.364 125 C CA -1.484 57.284 59.018 -0.417 0.000 1.723 125 C CB -1.763 25.550 27.740 -0.712 0.000 1.778 125 C HN 0.316 nan 8.230 nan 0.000 0.572 126 F N 3.009 122.818 119.950 -0.235 0.000 2.572 126 F HA 0.174 4.701 4.527 -0.001 0.000 0.370 126 F C 0.518 176.251 175.800 -0.112 0.000 1.103 126 F CA 0.359 58.266 58.000 -0.155 0.000 1.286 126 F CB 0.257 39.167 39.000 -0.149 0.000 1.105 126 F HN 0.122 nan 8.300 nan 0.000 0.583 127 N N 6.972 125.269 118.700 -0.671 0.000 2.501 127 N HA 0.121 4.860 4.740 -0.001 0.000 0.245 127 N C 0.498 175.869 175.510 -0.232 0.000 0.974 127 N CA -0.521 52.320 53.050 -0.348 0.000 0.941 127 N CB 0.381 38.671 38.487 -0.328 0.000 1.122 127 N HN 0.692 nan 8.380 nan 0.000 0.507 128 I N -0.468 120.117 120.570 0.026 0.000 3.646 128 I HA 0.173 4.343 4.170 -0.001 0.000 0.301 128 I C -0.482 175.618 176.117 -0.029 0.000 1.276 128 I CA 0.074 61.428 61.300 0.090 0.000 1.254 128 I CB -0.562 37.459 38.000 0.035 0.000 1.020 128 I HN 0.452 nan 8.210 nan 0.000 0.473 129 E N 1.484 121.635 120.200 -0.081 0.000 2.246 129 E HA -0.162 4.188 4.350 -0.001 0.000 0.211 129 E C -0.399 176.151 176.600 -0.084 0.000 1.278 129 E CA 0.118 56.469 56.400 -0.081 0.000 0.694 129 E CB -1.735 27.928 29.700 -0.062 0.000 1.166 129 E HN 0.603 nan 8.360 nan 0.000 0.370 130 L N -0.134 121.016 121.223 -0.121 0.000 2.475 130 L HA 0.146 4.485 4.340 -0.001 0.000 0.253 130 L C -0.958 175.868 176.870 -0.074 0.000 1.198 130 L CA -1.755 53.006 54.840 -0.132 0.000 0.814 130 L CB 0.106 42.016 42.059 -0.248 0.000 1.134 130 L HN -0.066 nan 8.230 nan 0.000 0.478 131 P HA -0.166 nan 4.420 nan 0.000 0.218 131 P C 1.240 178.531 177.300 -0.016 0.000 1.146 131 P CA 1.256 64.345 63.100 -0.018 0.000 0.813 131 P CB 0.167 31.868 31.700 0.003 0.000 0.778 132 S N -2.445 113.240 115.700 -0.026 0.000 2.528 132 S HA -0.029 4.440 4.470 -0.001 0.000 0.219 132 S C 0.915 175.501 174.600 -0.022 0.000 0.985 132 S CA 0.080 58.272 58.200 -0.012 0.000 0.914 132 S CB -0.669 62.530 63.200 -0.002 0.000 0.776 132 S HN 0.029 nan 8.310 nan 0.000 0.526 133 Q N -0.067 119.704 119.800 -0.048 0.000 2.481 133 Q HA -0.154 4.185 4.340 -0.001 0.000 0.258 133 Q C -0.827 175.151 176.000 -0.037 0.000 0.961 133 Q CA 1.053 56.826 55.803 -0.050 0.000 1.121 133 Q CB -2.099 26.622 28.738 -0.029 0.000 1.503 133 Q HN 0.726 nan 8.270 nan 0.000 0.544 134 K N 1.247 121.616 120.400 -0.052 0.000 2.249 134 K HA 0.334 4.653 4.320 -0.001 0.000 0.280 134 K C 0.804 177.379 176.600 -0.042 0.000 1.033 134 K CA 0.221 56.489 56.287 -0.032 0.000 0.946 134 K CB 0.752 33.225 32.500 -0.045 0.000 1.005 134 K HN 0.282 nan 8.250 nan 0.000 0.469 135 S N 2.382 118.097 115.700 0.025 0.000 2.608 135 S HA 0.108 4.578 4.470 -0.001 0.000 0.261 135 S C 1.432 176.037 174.600 0.007 0.000 1.314 135 S CA -0.663 57.561 58.200 0.041 0.000 0.992 135 S CB 0.427 63.745 63.200 0.196 0.000 0.935 135 S HN 0.555 nan 8.310 nan 0.000 0.564 136 L N -0.411 120.810 121.223 -0.005 0.000 2.012 136 L HA -0.097 4.243 4.340 -0.001 0.000 0.210 136 L C 2.385 179.325 176.870 0.116 0.000 1.073 136 L CA 1.519 56.364 54.840 0.008 0.000 0.748 136 L CB -0.728 41.292 42.059 -0.065 0.000 0.891 136 L HN 0.583 nan 8.230 nan 0.000 0.431 137 F N 0.372 120.401 119.950 0.132 0.000 2.095 137 F HA -0.283 4.244 4.527 -0.001 0.000 0.298 137 F C 2.838 178.548 175.800 -0.150 0.000 1.104 137 F CA 1.711 59.819 58.000 0.180 0.000 1.232 137 F CB -0.828 38.283 39.000 0.185 0.000 0.987 137 F HN 0.163 nan 8.300 nan 0.000 0.475 138 Q N 0.393 119.960 119.800 -0.388 0.000 2.079 138 Q HA -0.169 4.171 4.340 -0.001 0.000 0.200 138 Q C 2.319 178.187 176.000 -0.221 0.000 0.974 138 Q CA 1.657 56.940 55.803 -0.868 0.000 0.840 138 Q CB -0.248 28.022 28.738 -0.780 0.000 0.898 138 Q HN 0.424 nan 8.270 nan 0.000 0.430 139 I N 0.578 121.114 120.570 -0.057 0.000 2.208 139 I HA -0.339 3.831 4.170 -0.001 0.000 0.245 139 I C 2.407 178.575 176.117 0.085 0.000 1.097 139 I CA 1.490 62.817 61.300 0.046 0.000 1.363 139 I CB -0.251 37.794 38.000 0.076 0.000 1.051 139 I HN 0.361 nan 8.210 nan 0.000 0.413 140 Q N 0.327 120.221 119.800 0.156 0.000 2.119 140 Q HA -0.132 4.207 4.340 -0.001 0.000 0.201 140 Q C 2.452 178.426 176.000 -0.044 0.000 0.972 140 Q CA 1.587 57.484 55.803 0.155 0.000 0.847 140 Q CB -0.213 28.812 28.738 0.479 0.000 0.903 140 Q HN 0.575 nan 8.270 nan 0.000 0.433 141 A N 1.223 124.090 122.820 0.078 0.000 1.902 141 A HA -0.237 4.083 4.320 -0.001 0.000 0.217 141 A C 1.779 179.399 177.584 0.059 0.000 1.181 141 A CA 1.561 53.644 52.037 0.075 0.000 0.623 141 A CB -0.364 18.879 19.000 0.405 0.000 0.818 141 A HN 0.338 nan 8.150 nan 0.000 0.443 142 E N -0.749 119.495 120.200 0.074 0.000 2.152 142 E HA -0.160 4.190 4.350 -0.001 0.000 0.192 142 E C 2.003 178.658 176.600 0.092 0.000 0.983 142 E CA 1.109 57.567 56.400 0.096 0.000 0.818 142 E CB -0.076 29.682 29.700 0.098 0.000 0.758 142 E HN 0.426 nan 8.360 nan 0.000 0.467 143 K N 1.162 121.602 120.400 0.067 0.000 2.057 143 K HA -0.077 4.242 4.320 -0.001 0.000 0.207 143 K C 1.816 178.503 176.600 0.146 0.000 1.049 143 K CA 0.894 57.246 56.287 0.108 0.000 0.931 143 K CB -0.122 32.385 32.500 0.012 0.000 0.714 143 K HN 0.073 nan 8.250 nan 0.000 0.440 144 I N 0.085 120.654 120.570 -0.002 0.000 2.252 144 I HA -0.267 3.902 4.170 -0.001 0.000 0.245 144 I C 2.139 178.272 176.117 0.027 0.000 1.102 144 I CA 0.877 62.154 61.300 -0.038 0.000 1.385 144 I CB -0.156 37.700 38.000 -0.240 0.000 1.064 144 I HN 0.160 nan 8.210 nan 0.000 0.414 145 L N 0.643 121.898 121.223 0.053 0.000 2.012 145 L HA -0.268 4.072 4.340 -0.001 0.000 0.210 145 L C 2.659 179.571 176.870 0.069 0.000 1.073 145 L CA 1.574 56.458 54.840 0.073 0.000 0.748 145 L CB -0.341 41.777 42.059 0.098 0.000 0.891 145 L HN 0.189 nan 8.230 nan 0.000 0.431 146 K N 0.481 120.939 120.400 0.098 0.000 2.032 146 K HA -0.232 4.088 4.320 -0.001 0.000 0.209 146 K C 1.784 178.402 176.600 0.031 0.000 1.048 146 K CA 1.661 58.007 56.287 0.099 0.000 0.927 146 K CB -0.522 32.087 32.500 0.183 0.000 0.712 146 K HN 0.139 nan 8.250 nan 0.000 0.441 147 I N 1.364 121.931 120.570 -0.005 0.000 2.493 147 I HA -0.160 4.010 4.170 -0.001 0.000 0.254 147 I C 1.632 177.700 176.117 -0.082 0.000 1.160 147 I CA 1.368 62.557 61.300 -0.184 0.000 1.445 147 I CB -0.143 37.682 38.000 -0.292 0.000 1.086 147 I HN 0.302 nan 8.210 nan 0.000 0.433 148 E N -0.434 119.757 120.200 -0.016 0.000 2.072 148 E HA -0.246 4.104 4.350 -0.001 0.000 0.191 148 E C 2.119 178.725 176.600 0.010 0.000 0.985 148 E CA 1.132 57.536 56.400 0.007 0.000 0.801 148 E CB -0.071 29.644 29.700 0.026 0.000 0.750 148 E HN 0.611 nan 8.360 nan 0.000 0.452 149 Q N 0.252 120.059 119.800 0.011 0.000 2.123 149 Q HA -0.073 4.267 4.340 -0.001 0.000 0.199 149 Q C 2.268 178.273 176.000 0.008 0.000 0.966 149 Q CA 0.783 56.595 55.803 0.015 0.000 0.845 149 Q CB 0.061 28.813 28.738 0.023 0.000 0.907 149 Q HN 0.267 nan 8.270 nan 0.000 0.439 150 L N 0.102 121.314 121.223 -0.019 0.000 2.056 150 L HA -0.165 4.175 4.340 -0.001 0.000 0.207 150 L C 2.477 179.353 176.870 0.010 0.000 1.078 150 L CA 0.955 55.777 54.840 -0.029 0.000 0.749 150 L CB -0.548 41.445 42.059 -0.110 0.000 0.901 150 L HN 0.229 nan 8.230 nan 0.000 0.433 151 A N -0.511 122.310 122.820 0.001 0.000 1.933 151 A HA -0.279 4.041 4.320 -0.001 0.000 0.218 151 A C 2.270 179.912 177.584 0.096 0.000 1.175 151 A CA 1.806 53.880 52.037 0.062 0.000 0.628 151 A CB -0.564 18.457 19.000 0.036 0.000 0.814 151 A HN 0.507 nan 8.150 nan 0.000 0.444 152 Q N -0.939 118.892 119.800 0.053 0.000 2.084 152 Q HA -0.293 4.047 4.340 -0.001 0.000 0.202 152 Q C 2.220 178.242 176.000 0.036 0.000 0.978 152 Q CA 2.006 57.833 55.803 0.039 0.000 0.844 152 Q CB -0.169 28.584 28.738 0.025 0.000 0.898 152 Q HN 0.675 nan 8.270 nan 0.000 0.426 153 Q N -0.426 119.402 119.800 0.047 0.000 2.079 153 Q HA -0.217 4.122 4.340 -0.001 0.000 0.200 153 Q C 1.742 177.776 176.000 0.058 0.000 0.974 153 Q CA 1.830 57.658 55.803 0.042 0.000 0.840 153 Q CB -0.676 28.088 28.738 0.043 0.000 0.898 153 Q HN 0.584 nan 8.270 nan 0.000 0.430 154 Y N -0.036 120.252 120.300 -0.020 0.000 2.128 154 Y HA -0.176 4.374 4.550 -0.001 0.000 0.284 154 Y C 1.319 177.212 175.900 -0.012 0.000 1.154 154 Y CA 1.651 59.740 58.100 -0.019 0.000 1.149 154 Y CB -0.228 38.217 38.460 -0.025 0.000 0.976 154 Y HN 0.227 nan 8.280 nan 0.000 0.505 155 L N 0.691 121.822 121.223 -0.154 0.000 2.558 155 L HA 0.027 4.367 4.340 -0.001 0.000 0.225 155 L C 0.685 177.472 176.870 -0.138 0.000 1.128 155 L CA 0.640 55.349 54.840 -0.218 0.000 0.868 155 L CB -0.434 41.588 42.059 -0.061 0.000 1.006 155 L HN 0.013 nan 8.230 nan 0.000 0.454 156 K N -0.311 120.035 120.400 -0.090 0.000 3.096 156 K HA -0.147 4.173 4.320 -0.001 0.000 0.266 156 K C 0.085 176.663 176.600 -0.038 0.000 1.043 156 K CA 0.413 56.666 56.287 -0.058 0.000 0.758 156 K CB -2.433 30.024 32.500 -0.072 0.000 1.260 156 K HN 0.317 nan 8.250 nan 0.000 0.481 157 S N -0.030 115.656 115.700 -0.022 0.000 2.617 157 S HA 0.226 4.696 4.470 -0.001 0.000 0.269 157 S C 1.882 176.479 174.600 -0.005 0.000 1.292 157 S CA 0.006 58.200 58.200 -0.010 0.000 1.010 157 S CB 1.391 64.592 63.200 0.002 0.000 0.944 157 S HN 0.442 nan 8.310 nan 0.000 0.536 158 T N 0.062 114.614 114.554 -0.003 0.000 2.896 158 T HA 0.116 4.465 4.350 -0.001 0.000 0.263 158 T C 0.297 174.999 174.700 0.003 0.000 1.050 158 T CA 0.689 62.788 62.100 -0.001 0.000 1.140 158 T CB -0.166 68.701 68.868 -0.002 0.000 0.877 158 T HN 0.404 nan 8.240 nan 0.000 0.457 159 K N 1.997 122.401 120.400 0.006 0.000 2.259 159 K HA 0.407 4.726 4.320 -0.001 0.000 0.252 159 K C -0.457 176.151 176.600 0.014 0.000 0.936 159 K CA -0.991 55.302 56.287 0.009 0.000 0.810 159 K CB 1.959 34.464 32.500 0.009 0.000 1.143 159 K HN 0.337 nan 8.250 nan 0.000 0.427 160 K N 2.539 122.949 120.400 0.017 0.000 2.382 160 K HA 0.196 4.516 4.320 -0.001 0.000 0.275 160 K C -2.220 174.396 176.600 0.026 0.000 1.009 160 K CA -1.218 55.082 56.287 0.022 0.000 0.970 160 K CB 0.127 32.641 32.500 0.024 0.000 0.934 160 K HN 0.258 nan 8.250 nan 0.000 0.479 161 P HA 0.109 nan 4.420 nan 0.000 0.272 161 P C -0.479 176.844 177.300 0.039 0.000 1.240 161 P CA -0.357 62.766 63.100 0.037 0.000 0.791 161 P CB 0.527 32.254 31.700 0.046 0.000 0.978 162 I N 1.895 122.491 120.570 0.043 0.000 2.404 162 I HA 0.365 4.534 4.170 -0.001 0.000 0.293 162 I C 0.546 176.697 176.117 0.057 0.000 0.992 162 I CA -0.889 60.438 61.300 0.045 0.000 1.149 162 I CB 1.053 39.074 38.000 0.036 0.000 1.315 162 I HN 0.261 nan 8.210 nan 0.000 0.446 163 I N 6.070 126.676 120.570 0.061 0.000 2.359 163 I HA 0.234 4.403 4.170 -0.001 0.000 0.284 163 I C 0.291 176.454 176.117 0.076 0.000 1.018 163 I CA -0.581 60.767 61.300 0.080 0.000 1.173 163 I CB 0.696 38.741 38.000 0.075 0.000 1.326 163 I HN 0.432 nan 8.210 nan 0.000 0.462 164 N N 5.269 124.000 118.700 0.052 0.000 2.483 164 N HA -0.024 4.715 4.740 -0.001 0.000 0.264 164 N C -1.024 174.476 175.510 -0.018 0.000 1.197 164 N CA 0.208 53.201 53.050 -0.094 0.000 0.927 164 N CB 1.143 39.484 38.487 -0.244 0.000 1.065 164 N HN 0.495 nan 8.380 nan 0.000 0.461 165 W N 5.158 126.278 121.300 -0.300 0.000 2.363 165 W HA 0.313 4.972 4.660 -0.001 0.000 0.314 165 W C -1.365 175.001 176.519 -0.256 0.000 0.994 165 W CA -1.299 55.964 57.345 -0.137 0.000 1.449 165 W CB -0.321 29.126 29.460 -0.022 0.000 1.248 165 W HN 0.370 nan 8.180 nan 0.000 0.409 166 Y N 6.417 126.836 120.300 0.199 0.000 2.404 166 Y HA 0.363 4.913 4.550 -0.001 0.000 0.344 166 Y C 0.597 176.522 175.900 0.041 0.000 0.995 166 Y CA -0.387 57.773 58.100 0.099 0.000 1.201 166 Y CB 0.576 39.135 38.460 0.165 0.000 1.151 166 Y HN 0.065 nan 8.280 nan 0.000 0.517 167 I N 5.338 125.832 120.570 -0.126 0.000 2.328 167 I HA 0.247 4.416 4.170 -0.001 0.000 0.287 167 I C -0.223 175.716 176.117 -0.296 0.000 1.012 167 I CA -0.549 60.571 61.300 -0.300 0.000 1.195 167 I CB 1.089 38.695 38.000 -0.657 0.000 1.350 167 I HN 0.586 nan 8.210 nan 0.000 0.464 168 M N 7.996 127.308 119.600 -0.481 0.000 2.108 168 M HA 0.256 4.736 4.480 -0.001 0.000 0.347 168 M C 0.047 176.112 176.300 -0.393 0.000 1.326 168 M CA -0.036 54.696 55.300 -0.948 0.000 1.126 168 M CB 0.438 32.479 32.600 -0.932 0.000 1.606 168 M HN 0.698 nan 8.290 nan 0.000 0.462 169 T N 1.483 115.868 114.554 -0.282 0.000 2.952 169 T HA 0.559 4.908 4.350 -0.001 0.000 0.286 169 T C 0.061 174.702 174.700 -0.098 0.000 1.024 169 T CA -0.905 61.138 62.100 -0.095 0.000 1.029 169 T CB 1.506 70.368 68.868 -0.010 0.000 1.094 169 T HN 0.601 nan 8.240 nan 0.000 0.515 170 S N 0.164 115.837 115.700 -0.045 0.000 2.617 170 S HA 0.466 4.935 4.470 -0.001 0.000 0.269 170 S C 1.804 176.389 174.600 -0.026 0.000 1.292 170 S CA -0.240 57.939 58.200 -0.035 0.000 1.010 170 S CB 0.750 63.940 63.200 -0.017 0.000 0.944 170 S HN 0.996 nan 8.310 nan 0.000 0.536 171 G N 3.022 111.813 108.800 -0.016 0.000 2.491 171 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.218 171 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.218 171 G C -0.602 174.290 174.900 -0.013 0.000 1.180 171 G CA 0.878 45.973 45.100 -0.009 0.000 0.774 171 G HN 0.633 nan 8.290 nan 0.000 0.562 172 P HA -0.071 nan 4.420 nan 0.000 0.219 172 P C 1.856 179.147 177.300 -0.014 0.000 1.150 172 P CA 2.118 65.210 63.100 -0.013 0.000 0.814 172 P CB -0.302 31.393 31.700 -0.010 0.000 0.787 173 T N -3.374 111.174 114.554 -0.009 0.000 3.081 173 T HA 0.052 4.402 4.350 -0.001 0.000 0.255 173 T C 1.957 176.647 174.700 -0.017 0.000 1.113 173 T CA 0.116 62.216 62.100 0.000 0.000 1.082 173 T CB -0.433 68.451 68.868 0.026 0.000 0.939 173 T HN -0.095 nan 8.240 nan 0.000 0.506 174 R N 2.489 122.965 120.500 -0.041 0.000 2.103 174 R HA -0.059 4.281 4.340 -0.001 0.000 0.242 174 R C 1.964 178.176 176.300 -0.148 0.000 1.142 174 R CA 1.787 57.833 56.100 -0.091 0.000 0.960 174 R CB -1.007 29.253 30.300 -0.067 0.000 0.858 174 R HN 0.426 nan 8.270 nan 0.000 0.439 175 N N 0.035 118.678 118.700 -0.094 0.000 2.135 175 N HA -0.049 4.691 4.740 -0.001 0.000 0.186 175 N C 1.556 177.018 175.510 -0.081 0.000 1.027 175 N CA 1.578 54.570 53.050 -0.096 0.000 0.849 175 N CB -0.453 38.000 38.487 -0.057 0.000 1.002 175 N HN 0.349 nan 8.380 nan 0.000 0.425 176 A N 0.655 123.451 122.820 -0.041 0.000 1.933 176 A HA -0.101 4.219 4.320 -0.001 0.000 0.218 176 A C 2.348 179.952 177.584 0.033 0.000 1.175 176 A CA 1.835 53.871 52.037 -0.002 0.000 0.628 176 A CB -0.947 18.053 19.000 0.001 0.000 0.814 176 A HN 0.286 nan 8.150 nan 0.000 0.444 177 T N -0.598 113.958 114.554 0.003 0.000 2.701 177 T HA -0.140 4.210 4.350 -0.001 0.000 0.263 177 T C 1.884 176.544 174.700 -0.066 0.000 1.040 177 T CA 1.553 63.685 62.100 0.053 0.000 1.147 177 T CB -0.224 68.657 68.868 0.022 0.000 0.865 177 T HN 0.707 nan 8.240 nan 0.000 0.426 178 E N 0.736 120.647 120.200 -0.481 0.000 2.051 178 E HA -0.154 4.196 4.350 -0.001 0.000 0.192 178 E C 2.417 178.895 176.600 -0.202 0.000 0.991 178 E CA 1.306 57.284 56.400 -0.704 0.000 0.799 178 E CB -0.228 28.998 29.700 -0.790 0.000 0.748 178 E HN 0.367 nan 8.360 nan 0.000 0.449 179 S N -0.509 115.126 115.700 -0.110 0.000 2.365 179 S HA -0.232 4.238 4.470 -0.001 0.000 0.225 179 S C 1.798 176.411 174.600 0.022 0.000 1.039 179 S CA 1.455 59.633 58.200 -0.037 0.000 1.033 179 S CB -0.610 62.586 63.200 -0.007 0.000 0.887 179 S HN 0.478 nan 8.310 nan 0.000 0.447 180 F N 1.038 120.955 119.950 -0.055 0.000 2.126 180 F HA -0.044 4.483 4.527 -0.001 0.000 0.299 180 F C 1.711 177.410 175.800 -0.168 0.000 1.096 180 F CA 1.620 59.591 58.000 -0.048 0.000 1.255 180 F CB -0.705 38.332 39.000 0.061 0.000 0.997 180 F HN 0.286 nan 8.300 nan 0.000 0.479 181 F N 0.214 120.065 119.950 -0.166 0.000 2.134 181 F HA -0.173 4.354 4.527 -0.001 0.000 0.299 181 F C 2.351 177.648 175.800 -0.838 0.000 1.097 181 F CA 1.554 59.275 58.000 -0.466 0.000 1.264 181 F CB -0.670 38.208 39.000 -0.204 0.000 1.001 181 F HN -0.066 nan 8.300 nan 0.000 0.479 182 I N 0.256 120.550 120.570 -0.459 0.000 2.202 182 I HA -0.273 3.897 4.170 -0.001 0.000 0.242 182 I C 2.367 178.276 176.117 -0.347 0.000 1.091 182 I CA 1.707 62.730 61.300 -0.461 0.000 1.368 182 I CB -0.632 37.251 38.000 -0.196 0.000 1.058 182 I HN 0.231 nan 8.210 nan 0.000 0.410 183 E N 0.457 120.481 120.200 -0.293 0.000 2.338 183 E HA -0.166 4.184 4.350 -0.001 0.000 0.197 183 E C 0.904 177.291 176.600 -0.356 0.000 1.007 183 E CA 0.886 57.136 56.400 -0.250 0.000 0.849 183 E CB -0.334 29.265 29.700 -0.169 0.000 0.774 183 E HN 0.527 nan 8.360 nan 0.000 0.506 184 N N 1.407 119.748 118.700 -0.598 0.000 2.251 184 N HA 0.006 4.745 4.740 -0.001 0.000 0.217 184 N C -0.351 174.775 175.510 -0.641 0.000 1.124 184 N CA 0.015 52.626 53.050 -0.731 0.000 0.843 184 N CB 0.153 37.852 38.487 -1.312 0.000 1.024 184 N HN 0.314 nan 8.380 nan 0.000 0.501 185 N N 0.891 119.337 118.700 -0.423 0.000 2.710 185 N HA -0.288 4.452 4.740 -0.001 0.000 0.249 185 N C -0.890 174.619 175.510 -0.002 0.000 1.059 185 N CA 0.180 53.142 53.050 -0.147 0.000 0.720 185 N CB -0.967 37.492 38.487 -0.046 0.000 0.983 185 N HN 0.304 nan 8.380 nan 0.000 0.544 186 Y N -2.782 117.376 120.300 -0.237 0.000 4.324 186 Y HA -0.336 4.213 4.550 -0.001 0.000 0.224 186 Y C 0.727 176.681 175.900 0.089 0.000 1.113 186 Y CA 1.334 59.457 58.100 0.037 0.000 1.887 186 Y CB -2.771 35.828 38.460 0.231 0.000 1.602 186 Y HN 0.411 nan 8.280 nan 0.000 0.654 187 F N -1.694 118.327 119.950 0.118 0.000 3.100 187 F HA -0.211 4.316 4.527 -0.001 0.000 0.283 187 F C 1.576 177.461 175.800 0.141 0.000 0.900 187 F CA 1.700 59.754 58.000 0.090 0.000 1.010 187 F CB -1.477 37.580 39.000 0.096 0.000 1.029 187 F HN 0.615 nan 8.300 nan 0.000 0.637 188 G N -1.265 107.673 108.800 0.229 0.000 2.232 188 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.226 188 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.226 188 G C 0.278 175.291 174.900 0.189 0.000 0.996 188 G CA -0.100 45.111 45.100 0.185 0.000 0.626 188 G HN 0.444 nan 8.290 nan 0.000 0.509 189 L N 0.939 122.326 121.223 0.273 0.000 2.466 189 L HA 0.396 4.736 4.340 -0.001 0.000 0.257 189 L C 0.552 177.490 176.870 0.113 0.000 1.189 189 L CA -1.039 53.935 54.840 0.223 0.000 0.813 189 L CB 0.223 42.492 42.059 0.349 0.000 1.118 189 L HN 0.055 nan 8.230 nan 0.000 0.471 190 N N -0.018 118.695 118.700 0.021 0.000 2.518 190 N HA 0.016 4.756 4.740 -0.001 0.000 0.266 190 N C 0.940 176.297 175.510 -0.255 0.000 1.196 190 N CA 0.079 53.066 53.050 -0.106 0.000 0.947 190 N CB 1.365 39.790 38.487 -0.104 0.000 1.098 190 N HN 0.630 nan 8.380 nan 0.000 0.450 191 S N 1.090 116.502 115.700 -0.480 0.000 2.419 191 S HA -0.151 4.318 4.470 -0.001 0.000 0.233 191 S C 1.073 175.467 174.600 -0.344 0.000 1.016 191 S CA 1.001 58.648 58.200 -0.921 0.000 0.974 191 S CB -0.541 62.214 63.200 -0.741 0.000 0.786 191 S HN 0.670 nan 8.310 nan 0.000 0.492 192 H N 1.540 120.451 119.070 -0.266 0.000 2.547 192 H HA 0.073 4.629 4.556 -0.001 0.000 0.272 192 H C 2.321 177.558 175.328 -0.152 0.000 0.989 192 H CA 0.927 56.878 56.048 -0.162 0.000 1.214 192 H CB 0.036 29.739 29.762 -0.097 0.000 1.389 192 H HN 0.739 nan 8.280 nan 0.000 0.577 193 Q N 1.001 120.787 119.800 -0.024 0.000 2.392 193 Q HA 0.072 4.412 4.340 -0.001 0.000 0.203 193 Q C -0.150 175.803 176.000 -0.079 0.000 0.917 193 Q CA 0.189 55.966 55.803 -0.042 0.000 0.939 193 Q CB 0.614 29.365 28.738 0.022 0.000 1.063 193 Q HN 0.078 nan 8.270 nan 0.000 0.516 194 V N 2.531 122.367 119.914 -0.130 0.000 2.333 194 V HA 0.388 4.508 4.120 -0.001 0.000 0.274 194 V C -0.387 175.406 176.094 -0.501 0.000 1.028 194 V CA -0.463 61.653 62.300 -0.306 0.000 0.851 194 V CB 1.055 32.757 31.823 -0.201 0.000 1.000 194 V HN 0.244 nan 8.190 nan 0.000 0.456 195 I N 5.709 125.927 120.570 -0.586 0.000 2.411 195 I HA 0.463 4.633 4.170 -0.001 0.000 0.284 195 I C -0.710 175.218 176.117 -0.315 0.000 1.012 195 I CA -0.218 60.868 61.300 -0.357 0.000 1.119 195 I CB 1.339 39.218 38.000 -0.201 0.000 1.261 195 I HN 0.387 nan 8.210 nan 0.000 0.448 196 F N 6.963 126.931 119.950 0.030 0.000 2.385 196 F HA 0.611 5.137 4.527 -0.000 0.000 0.336 196 F C -0.013 175.928 175.800 0.236 0.000 1.100 196 F CA -0.703 57.325 58.000 0.047 0.000 1.116 196 F CB 0.979 39.933 39.000 -0.076 0.000 1.166 196 F HN 0.270 nan 8.300 nan 0.000 0.511 197 F N -0.549 119.492 119.950 0.152 0.000 2.628 197 F HA 0.505 5.032 4.527 -0.001 0.000 0.309 197 F C -1.441 174.405 175.800 0.076 0.000 1.108 197 F CA -1.316 56.742 58.000 0.096 0.000 0.971 197 F CB 0.974 40.014 39.000 0.067 0.000 1.279 197 F HN 0.412 nan 8.300 nan 0.000 0.441 198 N N 2.596 121.329 118.700 0.056 0.000 2.529 198 N HA 0.164 4.903 4.740 -0.001 0.000 0.278 198 N C -1.072 174.410 175.510 -0.048 0.000 1.146 198 N CA -0.848 52.176 53.050 -0.044 0.000 0.980 198 N CB 1.296 39.796 38.487 0.021 0.000 1.124 198 N HN 0.710 nan 8.380 nan 0.000 0.458 199 Q N 0.847 120.589 119.800 -0.097 0.000 2.299 199 Q HA 0.273 4.613 4.340 -0.001 0.000 0.246 199 Q C 0.218 176.223 176.000 0.008 0.000 0.935 199 Q CA -0.759 55.013 55.803 -0.052 0.000 0.887 199 Q CB 0.843 29.536 28.738 -0.076 0.000 1.223 199 Q HN 0.700 nan 8.270 nan 0.000 0.439 200 G N 0.910 109.732 108.800 0.037 0.000 2.621 200 G HA2 0.414 4.374 3.960 -0.001 0.000 0.271 200 G HA3 0.414 4.374 3.960 -0.001 0.000 0.271 200 G C -0.555 174.365 174.900 0.033 0.000 1.236 200 G CA 0.188 45.318 45.100 0.049 0.000 0.958 200 G HN 0.741 nan 8.290 nan 0.000 0.512 201 T N -2.850 111.727 114.554 0.038 0.000 2.865 201 T HA 0.732 5.081 4.350 -0.001 0.000 0.294 201 T C -0.690 174.027 174.700 0.028 0.000 1.119 201 T CA -0.886 61.229 62.100 0.025 0.000 1.007 201 T CB 1.703 70.586 68.868 0.025 0.000 1.225 201 T HN 0.391 nan 8.240 nan 0.000 0.515 202 L N 0.735 121.963 121.223 0.008 0.000 2.409 202 L HA 0.568 4.907 4.340 -0.001 0.000 0.262 202 L C -2.724 174.169 176.870 0.039 0.000 0.992 202 L CA -2.707 52.138 54.840 0.009 0.000 0.817 202 L CB 2.966 44.954 42.059 -0.119 0.000 1.350 202 L HN 0.484 nan 8.230 nan 0.000 0.411 203 P HA 0.095 nan 4.420 nan 0.000 0.272 203 P C -0.944 176.383 177.300 0.044 0.000 1.223 203 P CA -0.445 62.657 63.100 0.003 0.000 0.784 203 P CB 0.528 32.165 31.700 -0.104 0.000 0.923 204 C N 2.486 121.766 119.300 -0.033 0.000 2.466 204 C HA 0.532 4.991 4.460 -0.001 0.000 0.379 204 C C 0.222 175.181 174.990 -0.052 0.000 1.251 204 C CA 0.094 59.148 59.018 0.059 0.000 2.263 204 C CB -0.965 26.791 27.740 0.028 0.000 2.511 204 C HN 0.444 nan 8.230 nan 0.000 0.573 205 F N 1.782 121.736 119.950 0.008 0.000 2.594 205 F HA 0.438 4.964 4.527 -0.000 0.000 0.335 205 F C 0.624 176.439 175.800 0.025 0.000 1.058 205 F CA -0.794 57.220 58.000 0.023 0.000 0.981 205 F CB 0.787 39.801 39.000 0.023 0.000 1.289 205 F HN 0.582 nan 8.300 nan 0.000 0.490 206 N N 0.679 119.518 118.700 0.231 0.000 2.381 206 N HA 0.091 4.831 4.740 -0.001 0.000 0.254 206 N C 0.692 176.284 175.510 0.136 0.000 1.264 206 N CA -0.285 52.850 53.050 0.143 0.000 0.942 206 N CB 0.290 38.846 38.487 0.116 0.000 1.190 206 N HN 0.679 nan 8.380 nan 0.000 0.495 207 L N -1.000 120.279 121.223 0.093 0.000 2.129 207 L HA -0.216 4.124 4.340 -0.001 0.000 0.212 207 L C 2.489 179.397 176.870 0.064 0.000 1.087 207 L CA 1.546 56.429 54.840 0.071 0.000 0.757 207 L CB -0.431 41.661 42.059 0.055 0.000 0.896 207 L HN 0.703 nan 8.230 nan 0.000 0.434 208 Q N 0.081 119.924 119.800 0.072 0.000 2.435 208 Q HA -0.034 4.306 4.340 -0.001 0.000 0.207 208 Q C 1.308 177.342 176.000 0.057 0.000 0.956 208 Q CA 0.644 56.482 55.803 0.057 0.000 0.917 208 Q CB 0.228 29.000 28.738 0.058 0.000 0.997 208 Q HN 0.514 nan 8.270 nan 0.000 0.497 209 G N 1.551 110.406 108.800 0.092 0.000 2.160 209 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.251 209 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.251 209 G C 0.260 175.213 174.900 0.088 0.000 1.008 209 G CA 0.605 45.733 45.100 0.045 0.000 0.724 209 G HN 0.624 nan 8.290 nan 0.000 0.514 210 N N -1.318 117.510 118.700 0.213 0.000 2.193 210 N HA 0.187 4.926 4.740 -0.001 0.000 0.210 210 N C 0.308 176.005 175.510 0.313 0.000 1.215 210 N CA 0.159 53.346 53.050 0.229 0.000 0.901 210 N CB 0.563 39.124 38.487 0.124 0.000 1.060 210 N HN 0.223 nan 8.380 nan 0.000 0.508 211 K N 1.090 121.675 120.400 0.308 0.000 2.376 211 K HA 0.489 4.809 4.320 -0.001 0.000 0.257 211 K C -0.515 176.065 176.600 -0.033 0.000 0.939 211 K CA -0.452 55.924 56.287 0.149 0.000 0.809 211 K CB 2.172 34.728 32.500 0.094 0.000 1.121 211 K HN 0.050 nan 8.250 nan 0.000 0.425 212 I N 4.233 124.640 120.570 -0.273 0.000 2.692 212 I HA 0.057 4.226 4.170 -0.001 0.000 0.284 212 I C 0.107 176.087 176.117 -0.230 0.000 1.159 212 I CA -0.176 60.787 61.300 -0.561 0.000 1.423 212 I CB 0.426 38.147 38.000 -0.465 0.000 1.380 212 I HN 0.308 nan 8.210 nan 0.000 0.580 213 L N 6.585 127.693 121.223 -0.192 0.000 2.357 213 L HA 0.406 4.745 4.340 -0.001 0.000 0.273 213 L C -0.318 176.528 176.870 -0.041 0.000 1.080 213 L CA -0.626 54.176 54.840 -0.063 0.000 0.803 213 L CB 0.932 42.978 42.059 -0.021 0.000 1.174 213 L HN 0.414 nan 8.230 nan 0.000 0.443 214 L N 2.198 123.421 121.223 -0.000 0.000 2.275 214 L HA 0.204 4.544 4.340 -0.001 0.000 0.288 214 L C 1.045 177.927 176.870 0.021 0.000 1.046 214 L CA 0.015 54.853 54.840 -0.003 0.000 0.805 214 L CB 1.784 43.845 42.059 0.003 0.000 1.193 214 L HN 0.720 nan 8.230 nan 0.000 0.426 215 E N 3.308 123.516 120.200 0.013 0.000 2.042 215 E HA 0.074 4.424 4.350 -0.001 0.000 0.189 215 E C 0.092 176.740 176.600 0.080 0.000 0.974 215 E CA 0.770 57.220 56.400 0.083 0.000 0.806 215 E CB 0.449 30.177 29.700 0.046 0.000 0.769 215 E HN 0.476 nan 8.360 nan 0.000 0.451 216 L N -0.505 120.678 121.223 -0.067 0.000 2.235 216 L HA 0.341 4.680 4.340 -0.001 0.000 0.260 216 L C 0.973 177.692 176.870 -0.252 0.000 1.025 216 L CA -0.868 53.886 54.840 -0.143 0.000 0.836 216 L CB 1.065 43.011 42.059 -0.190 0.000 1.395 216 L HN -0.184 nan 8.230 nan 0.000 0.443 217 K N 0.771 120.983 120.400 -0.312 0.000 2.280 217 K HA -0.101 4.219 4.320 -0.001 0.000 0.202 217 K C 0.611 176.940 176.600 -0.452 0.000 1.047 217 K CA 1.274 57.337 56.287 -0.374 0.000 0.942 217 K CB -0.104 32.163 32.500 -0.389 0.000 0.739 217 K HN 0.566 nan 8.250 nan 0.000 0.457 218 N N -0.560 117.807 118.700 -0.555 0.000 2.416 218 N HA 0.018 4.758 4.740 -0.001 0.000 0.267 218 N C -1.068 173.830 175.510 -1.019 0.000 1.294 218 N CA -0.173 52.318 53.050 -0.932 0.000 0.891 218 N CB 1.137 39.379 38.487 -0.408 0.000 1.238 218 N HN -0.162 nan 8.380 nan 0.000 0.508 219 S N 0.659 115.899 115.700 -0.768 0.000 2.543 219 S HA 0.539 5.008 4.470 -0.001 0.000 0.273 219 S C -0.760 173.791 174.600 -0.082 0.000 1.152 219 S CA -0.943 57.108 58.200 -0.250 0.000 0.910 219 S CB 0.730 63.850 63.200 -0.132 0.000 1.105 219 S HN 0.320 nan 8.310 nan 0.000 0.465 220 I N 1.176 121.803 120.570 0.095 0.000 2.566 220 I HA 0.662 4.831 4.170 -0.001 0.000 0.303 220 I C -0.080 176.042 176.117 0.009 0.000 0.983 220 I CA -0.821 60.502 61.300 0.039 0.000 1.235 220 I CB 1.046 39.058 38.000 0.019 0.000 1.386 220 I HN 0.499 nan 8.210 nan 0.000 0.494 221 C N 4.282 123.577 119.300 -0.007 0.000 2.632 221 C HA 0.363 4.822 4.460 -0.001 0.000 0.415 221 C C 0.292 175.278 174.990 -0.006 0.000 1.332 221 C CA -0.056 58.964 59.018 0.003 0.000 1.874 221 C CB -0.531 27.212 27.740 0.005 0.000 2.596 221 C HN 0.762 nan 8.230 nan 0.000 0.590 222 Q N 1.299 121.103 119.800 0.008 0.000 2.421 222 Q HA 0.686 5.025 4.340 -0.001 0.000 0.280 222 Q C -0.800 175.208 176.000 0.013 0.000 1.085 222 Q CA -0.334 55.475 55.803 0.011 0.000 0.807 222 Q CB 2.482 31.230 28.738 0.017 0.000 1.405 222 Q HN 0.891 nan 8.270 nan 0.000 0.419 223 S N -0.294 115.413 115.700 0.012 0.000 2.556 223 S HA 0.671 5.141 4.470 -0.001 0.000 0.271 223 S C -2.975 171.628 174.600 0.004 0.000 1.135 223 S CA -1.702 56.503 58.200 0.008 0.000 0.858 223 S CB 1.699 64.905 63.200 0.010 0.000 1.114 223 S HN 0.236 nan 8.310 nan 0.000 0.468 224 P HA 0.075 nan 4.420 nan 0.000 0.263 224 P C -0.087 177.213 177.300 -0.001 0.000 1.175 224 P CA 0.226 63.327 63.100 0.001 0.000 0.761 224 P CB 0.195 31.895 31.700 -0.001 0.000 0.794 225 D N 2.036 122.437 120.400 0.001 0.000 2.344 225 D HA 0.194 4.833 4.640 -0.001 0.000 0.242 225 D C 0.820 177.129 176.300 0.015 0.000 1.159 225 D CA -0.089 53.906 54.000 -0.009 0.000 0.859 225 D CB -0.890 39.916 40.800 0.010 0.000 0.925 225 D HN 0.553 nan 8.370 nan 0.000 0.510 226 G N 1.376 110.194 108.800 0.029 0.000 2.758 226 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.686 226 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.686 226 G C 0.502 175.424 174.900 0.036 0.000 1.389 226 G CA -0.256 44.884 45.100 0.065 0.000 0.845 226 G HN 0.339 nan 8.290 nan 0.000 0.572 227 N N -0.088 118.626 118.700 0.024 0.000 2.520 227 N HA 0.063 4.803 4.740 -0.001 0.000 0.185 227 N C 2.091 177.558 175.510 -0.072 0.000 1.068 227 N CA 2.244 55.279 53.050 -0.026 0.000 0.911 227 N CB -0.369 38.107 38.487 -0.019 0.000 0.961 227 N HN 1.280 nan 8.380 nan 0.000 0.446 228 G N -0.277 108.512 108.800 -0.017 0.000 2.484 228 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.218 228 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.218 228 G C 1.367 176.273 174.900 0.008 0.000 1.130 228 G CA 0.379 45.474 45.100 -0.008 0.000 0.784 228 G HN 0.483 nan 8.290 nan 0.000 0.543 229 G N 0.681 109.494 108.800 0.021 0.000 2.776 229 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.209 229 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.209 229 G C 1.560 176.469 174.900 0.014 0.000 1.145 229 G CA 0.573 45.709 45.100 0.059 0.000 0.791 229 G HN 0.390 nan 8.290 nan 0.000 0.530 230 L N -0.209 120.936 121.223 -0.129 0.000 2.079 230 L HA -0.062 4.278 4.340 -0.001 0.000 0.210 230 L C 2.446 179.253 176.870 -0.104 0.000 1.081 230 L CA 1.530 56.282 54.840 -0.147 0.000 0.752 230 L CB -0.619 41.262 42.059 -0.297 0.000 0.896 230 L HN 0.405 nan 8.230 nan 0.000 0.433 231 Y N -0.258 120.113 120.300 0.118 0.000 2.163 231 Y HA -0.225 4.324 4.550 -0.001 0.000 0.288 231 Y C 2.725 178.679 175.900 0.090 0.000 1.136 231 Y CA 1.703 59.873 58.100 0.115 0.000 1.147 231 Y CB -0.476 38.107 38.460 0.206 0.000 0.987 231 Y HN 0.172 nan 8.280 nan 0.000 0.509 232 K N 0.740 121.285 120.400 0.242 0.000 2.057 232 K HA -0.168 4.152 4.320 -0.001 0.000 0.207 232 K C 2.312 178.990 176.600 0.130 0.000 1.049 232 K CA 1.095 57.480 56.287 0.164 0.000 0.931 232 K CB -0.325 32.268 32.500 0.155 0.000 0.714 232 K HN 0.266 nan 8.250 nan 0.000 0.440 233 A N 1.555 124.470 122.820 0.158 0.000 1.902 233 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 233 A C 2.127 179.804 177.584 0.156 0.000 1.181 233 A CA 1.280 53.450 52.037 0.223 0.000 0.623 233 A CB -0.621 18.573 19.000 0.324 0.000 0.818 233 A HN 0.323 nan 8.150 nan 0.000 0.443 234 L N -0.732 120.532 121.223 0.068 0.000 2.012 234 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 234 L C 2.758 179.530 176.870 -0.163 0.000 1.073 234 L CA 1.880 56.608 54.840 -0.187 0.000 0.748 234 L CB -0.473 41.510 42.059 -0.127 0.000 0.891 234 L HN 0.365 nan 8.230 nan 0.000 0.431 235 K N 0.101 120.470 120.400 -0.052 0.000 2.103 235 K HA -0.163 4.157 4.320 -0.001 0.000 0.204 235 K C 1.536 178.116 176.600 -0.035 0.000 1.052 235 K CA 1.538 57.795 56.287 -0.050 0.000 0.945 235 K CB -0.089 32.402 32.500 -0.015 0.000 0.722 235 K HN 0.266 nan 8.250 nan 0.000 0.443 236 D N 0.404 120.806 120.400 0.004 0.000 2.234 236 D HA -0.057 4.583 4.640 -0.001 0.000 0.205 236 D C 1.036 177.344 176.300 0.013 0.000 0.962 236 D CA 0.672 54.684 54.000 0.020 0.000 0.855 236 D CB -0.077 40.756 40.800 0.055 0.000 0.951 236 D HN 0.196 nan 8.370 nan 0.000 0.500 237 N N -0.001 118.696 118.700 -0.005 0.000 2.268 237 N HA 0.089 4.828 4.740 -0.001 0.000 0.204 237 N C 0.983 176.446 175.510 -0.078 0.000 1.124 237 N CA 0.466 53.511 53.050 -0.007 0.000 0.838 237 N CB 1.200 39.720 38.487 0.055 0.000 0.994 237 N HN 0.134 nan 8.380 nan 0.000 0.489 238 G N 1.376 110.120 108.800 -0.094 0.000 2.168 238 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.257 238 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.257 238 G C 1.011 175.806 174.900 -0.174 0.000 0.997 238 G CA 0.082 45.120 45.100 -0.104 0.000 0.708 238 G HN 0.267 nan 8.290 nan 0.000 0.520 239 I N -0.247 120.138 120.570 -0.309 0.000 2.202 239 I HA -0.044 4.126 4.170 -0.001 0.000 0.242 239 I C 2.726 178.602 176.117 -0.401 0.000 1.091 239 I CA 1.534 62.544 61.300 -0.484 0.000 1.368 239 I CB -1.271 36.203 38.000 -0.877 0.000 1.058 239 I HN 0.321 nan 8.210 nan 0.000 0.410 240 L N 1.285 122.326 121.223 -0.303 0.000 2.079 240 L HA -0.226 4.114 4.340 -0.001 0.000 0.210 240 L C 1.931 178.703 176.870 -0.163 0.000 1.081 240 L CA 1.946 56.653 54.840 -0.222 0.000 0.752 240 L CB -0.800 41.161 42.059 -0.164 0.000 0.896 240 L HN 0.165 nan 8.230 nan 0.000 0.433 241 D N -0.635 119.683 120.400 -0.136 0.000 2.117 241 D HA -0.198 4.442 4.640 -0.001 0.000 0.197 241 D C 1.854 178.111 176.300 -0.072 0.000 0.987 241 D CA 1.428 55.374 54.000 -0.090 0.000 0.829 241 D CB -0.217 40.540 40.800 -0.071 0.000 0.961 241 D HN 0.444 nan 8.370 nan 0.000 0.460 242 D N -0.223 120.128 120.400 -0.081 0.000 2.117 242 D HA -0.083 4.557 4.640 -0.001 0.000 0.197 242 D C 2.147 178.450 176.300 0.004 0.000 0.987 242 D CA 0.597 54.588 54.000 -0.014 0.000 0.829 242 D CB -0.085 40.744 40.800 0.050 0.000 0.961 242 D HN 0.116 nan 8.370 nan 0.000 0.460 243 L N 0.255 121.437 121.223 -0.068 0.000 2.012 243 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 243 L C 2.198 179.058 176.870 -0.018 0.000 1.073 243 L CA 1.064 55.883 54.840 -0.034 0.000 0.748 243 L CB -0.587 41.404 42.059 -0.114 0.000 0.891 243 L HN 0.126 nan 8.230 nan 0.000 0.431 244 N N -0.720 117.954 118.700 -0.043 0.000 2.188 244 N HA -0.161 4.578 4.740 -0.001 0.000 0.184 244 N C 2.089 177.589 175.510 -0.017 0.000 1.018 244 N CA 1.535 54.564 53.050 -0.035 0.000 0.858 244 N CB -0.224 38.234 38.487 -0.049 0.000 0.989 244 N HN 0.195 nan 8.380 nan 0.000 0.426 245 S N 0.989 116.682 115.700 -0.012 0.000 2.382 245 S HA -0.047 4.423 4.470 -0.001 0.000 0.228 245 S C 1.534 176.142 174.600 0.014 0.000 1.027 245 S CA 1.134 59.333 58.200 -0.001 0.000 0.991 245 S CB 0.056 63.256 63.200 0.000 0.000 0.823 245 S HN 0.258 nan 8.310 nan 0.000 0.469 246 K N -0.071 120.347 120.400 0.029 0.000 2.426 246 K HA 0.213 4.533 4.320 -0.001 0.000 0.193 246 K C 1.069 177.691 176.600 0.036 0.000 1.028 246 K CA 0.469 56.782 56.287 0.043 0.000 1.047 246 K CB -0.032 32.514 32.500 0.076 0.000 0.821 246 K HN 0.480 nan 8.250 nan 0.000 0.513 247 G N 2.078 110.890 108.800 0.020 0.000 2.182 247 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.248 247 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.248 247 G C -0.023 174.883 174.900 0.011 0.000 1.042 247 G CA -0.387 44.719 45.100 0.010 0.000 0.775 247 G HN 0.125 nan 8.290 nan 0.000 0.501 248 I N 0.229 120.811 120.570 0.021 0.000 2.471 248 I HA 0.216 4.385 4.170 -0.001 0.000 0.286 248 I C 1.205 177.295 176.117 -0.045 0.000 1.079 248 I CA 0.008 61.326 61.300 0.029 0.000 1.398 248 I CB 1.257 39.305 38.000 0.080 0.000 1.403 248 I HN 0.041 nan 8.210 nan 0.000 0.530 249 K N 5.068 125.388 120.400 -0.133 0.000 2.365 249 K HA 0.180 4.499 4.320 -0.001 0.000 0.195 249 K C 0.222 176.541 176.600 -0.469 0.000 1.079 249 K CA 0.560 56.634 56.287 -0.355 0.000 0.979 249 K CB 0.483 32.639 32.500 -0.574 0.000 0.929 249 K HN 0.548 nan 8.250 nan 0.000 0.523 250 H N 0.482 119.609 119.070 0.095 0.000 2.600 250 H HA 0.390 4.945 4.556 -0.001 0.000 0.357 250 H C -0.527 174.846 175.328 0.074 0.000 1.106 250 H CA -1.315 54.781 56.048 0.080 0.000 1.193 250 H CB 1.922 31.828 29.762 0.241 0.000 1.594 250 H HN -0.022 nan 8.280 nan 0.000 0.526 251 I N -0.521 120.103 120.570 0.089 0.000 2.545 251 I HA 0.322 4.492 4.170 -0.001 0.000 0.292 251 I C -0.756 175.549 176.117 0.313 0.000 1.040 251 I CA -0.405 61.022 61.300 0.211 0.000 1.068 251 I CB 2.180 40.285 38.000 0.175 0.000 1.251 251 I HN 0.610 nan 8.210 nan 0.000 0.424 252 H N 7.545 126.812 119.070 0.329 0.000 2.511 252 H HA 0.512 5.068 4.556 -0.001 0.000 0.328 252 H C -1.483 174.160 175.328 0.525 0.000 1.044 252 H CA -1.049 55.261 56.048 0.437 0.000 1.212 252 H CB 1.297 31.318 29.762 0.432 0.000 1.428 252 H HN 0.684 nan 8.280 nan 0.000 0.483 253 M N 6.911 126.807 119.600 0.493 0.000 2.311 253 M HA 0.234 4.714 4.480 -0.001 0.000 0.325 253 M C -1.889 174.580 176.300 0.283 0.000 1.061 253 M CA -0.724 54.797 55.300 0.367 0.000 0.957 253 M CB 1.224 34.154 32.600 0.549 0.000 1.646 253 M HN 0.810 nan 8.290 nan 0.000 0.434 254 Y N 1.956 122.287 120.300 0.053 0.000 2.670 254 Y HA 0.641 5.191 4.550 -0.001 0.000 0.334 254 Y C -1.570 174.397 175.900 0.112 0.000 1.185 254 Y CA -1.366 56.759 58.100 0.042 0.000 1.053 254 Y CB 0.828 39.269 38.460 -0.032 0.000 1.298 254 Y HN 0.684 nan 8.280 nan 0.000 0.459 255 C N 1.852 121.221 119.300 0.115 0.000 2.365 255 C HA 0.419 4.878 4.460 -0.001 0.000 0.351 255 C C 1.740 176.820 174.990 0.150 0.000 1.240 255 C CA -0.007 59.041 59.018 0.051 0.000 2.062 255 C CB 0.870 28.681 27.740 0.118 0.000 2.387 255 C HN 0.940 nan 8.230 nan 0.000 0.537 256 V N 4.195 124.141 119.914 0.053 0.000 2.720 256 V HA -0.108 4.012 4.120 -0.001 0.000 0.256 256 V C 1.909 178.066 176.094 0.105 0.000 1.082 256 V CA 2.782 65.161 62.300 0.131 0.000 1.101 256 V CB -0.510 31.319 31.823 0.009 0.000 0.693 256 V HN 1.046 nan 8.190 nan 0.000 0.479 257 D N -0.317 120.122 120.400 0.066 0.000 2.363 257 D HA -0.085 4.555 4.640 -0.001 0.000 0.220 257 D C 0.887 177.203 176.300 0.027 0.000 0.994 257 D CA 0.229 54.235 54.000 0.010 0.000 0.890 257 D CB -0.705 40.079 40.800 -0.027 0.000 0.906 257 D HN 0.508 nan 8.370 nan 0.000 0.530 258 N N 0.574 119.344 118.700 0.117 0.000 2.415 258 N HA 0.011 4.751 4.740 -0.001 0.000 0.246 258 N C 1.023 176.590 175.510 0.096 0.000 1.078 258 N CA -0.496 52.608 53.050 0.090 0.000 0.942 258 N CB 0.773 39.386 38.487 0.210 0.000 1.140 258 N HN 0.286 nan 8.380 nan 0.000 0.501 259 C N 2.887 122.221 119.300 0.057 0.000 2.472 259 C HA 0.175 4.634 4.460 -0.001 0.000 0.278 259 C C 1.619 176.718 174.990 0.181 0.000 1.447 259 C CA -0.176 58.917 59.018 0.125 0.000 1.773 259 C CB -1.309 26.500 27.740 0.115 0.000 1.793 259 C HN 0.720 nan 8.230 nan 0.000 0.544 260 L N 0.597 121.866 121.223 0.076 0.000 2.640 260 L HA 0.247 4.586 4.340 -0.001 0.000 0.230 260 L C 1.234 178.087 176.870 -0.028 0.000 1.123 260 L CA -0.099 54.735 54.840 -0.010 0.000 0.900 260 L CB -0.160 41.867 42.059 -0.053 0.000 1.146 260 L HN 0.204 nan 8.230 nan 0.000 0.484 261 V N 2.406 122.321 119.914 0.001 0.000 2.557 261 V HA -0.089 4.030 4.120 -0.001 0.000 0.301 261 V C 0.561 176.573 176.094 -0.137 0.000 1.026 261 V CA 0.199 62.464 62.300 -0.059 0.000 1.137 261 V CB 0.350 32.101 31.823 -0.120 0.000 0.917 261 V HN 0.270 nan 8.190 nan 0.000 0.484 262 K N 6.437 126.778 120.400 -0.099 0.000 2.219 262 K HA 0.299 4.619 4.320 -0.001 0.000 0.280 262 K C -0.510 176.134 176.600 0.073 0.000 1.104 262 K CA -0.415 55.811 56.287 -0.101 0.000 0.925 262 K CB 0.895 33.403 32.500 0.013 0.000 1.261 262 K HN 0.616 nan 8.250 nan 0.000 0.445 263 V N 2.375 122.294 119.914 0.008 0.000 2.529 263 V HA 0.008 4.128 4.120 -0.001 0.000 0.292 263 V C 1.024 177.308 176.094 0.316 0.000 1.028 263 V CA 0.382 62.722 62.300 0.067 0.000 1.074 263 V CB 0.489 32.260 31.823 -0.088 0.000 0.958 263 V HN 0.987 nan 8.190 nan 0.000 0.481 264 A N 3.835 126.981 122.820 0.543 0.000 2.822 264 A HA -0.191 4.128 4.320 -0.001 0.000 0.287 264 A C 0.591 178.262 177.584 0.145 0.000 1.479 264 A CA 0.787 53.025 52.037 0.335 0.000 0.779 264 A CB -1.796 17.343 19.000 0.232 0.000 1.022 264 A HN 1.105 nan 8.150 nan 0.000 0.532 265 D N 0.112 120.579 120.400 0.111 0.000 2.570 265 D HA 0.122 4.761 4.640 -0.001 0.000 0.243 265 D C 0.003 176.336 176.300 0.054 0.000 1.171 265 D CA -0.610 53.471 54.000 0.135 0.000 0.879 265 D CB 0.711 41.581 40.800 0.117 0.000 1.143 265 D HN 0.367 nan 8.370 nan 0.000 0.511 266 P HA -0.143 nan 4.420 nan 0.000 0.220 266 P C 1.808 179.125 177.300 0.027 0.000 1.148 266 P CA 0.820 63.898 63.100 -0.036 0.000 0.803 266 P CB 0.314 31.947 31.700 -0.112 0.000 0.782 267 I N -1.515 119.112 120.570 0.094 0.000 2.252 267 I HA -0.217 3.952 4.170 -0.001 0.000 0.245 267 I C 2.481 178.736 176.117 0.230 0.000 1.102 267 I CA 1.192 62.614 61.300 0.204 0.000 1.385 267 I CB -0.692 37.423 38.000 0.192 0.000 1.064 267 I HN -0.161 nan 8.210 nan 0.000 0.414 268 F N 1.676 121.612 119.950 -0.024 0.000 2.146 268 F HA -0.138 4.389 4.527 -0.001 0.000 0.298 268 F C 2.198 177.935 175.800 -0.106 0.000 1.096 268 F CA 1.395 59.359 58.000 -0.058 0.000 1.275 268 F CB -0.383 38.552 39.000 -0.108 0.000 1.008 268 F HN -0.078 nan 8.300 nan 0.000 0.480 269 I N -0.350 120.140 120.570 -0.134 0.000 2.233 269 I HA -0.159 4.011 4.170 -0.001 0.000 0.243 269 I C 2.773 178.639 176.117 -0.418 0.000 1.093 269 I CA 1.291 62.391 61.300 -0.333 0.000 1.380 269 I CB -1.322 36.582 38.000 -0.161 0.000 1.067 269 I HN 0.197 nan 8.210 nan 0.000 0.413 270 G N 0.975 109.632 108.800 -0.238 0.000 2.440 270 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.218 270 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.218 270 G C 1.630 176.164 174.900 -0.610 0.000 1.154 270 G CA 0.745 45.688 45.100 -0.262 0.000 0.767 270 G HN 0.357 nan 8.290 nan 0.000 0.552 271 F N 2.619 122.018 119.950 -0.917 0.000 2.091 271 F HA -0.056 4.470 4.527 -0.001 0.000 0.299 271 F C 2.711 177.931 175.800 -0.966 0.000 1.103 271 F CA 1.596 58.733 58.000 -1.437 0.000 1.228 271 F CB -0.502 37.945 39.000 -0.922 0.000 0.984 271 F HN 0.230 nan 8.300 nan 0.000 0.477 272 A N 0.698 122.942 122.820 -0.960 0.000 1.898 272 A HA -0.090 4.230 4.320 -0.001 0.000 0.216 272 A C 2.367 179.427 177.584 -0.875 0.000 1.181 272 A CA 1.782 53.173 52.037 -1.077 0.000 0.620 272 A CB -1.168 16.824 19.000 -1.680 0.000 0.819 272 A HN 0.525 nan 8.150 nan 0.000 0.442 273 I N -0.269 119.876 120.570 -0.708 0.000 2.179 273 I HA -0.271 3.899 4.170 -0.001 0.000 0.242 273 I C 3.003 178.857 176.117 -0.438 0.000 1.088 273 I CA 1.044 62.072 61.300 -0.454 0.000 1.357 273 I CB -0.402 37.381 38.000 -0.361 0.000 1.051 273 I HN 0.358 nan 8.210 nan 0.000 0.409 274 A N 0.596 123.103 122.820 -0.521 0.000 1.908 274 A HA -0.192 4.128 4.320 -0.001 0.000 0.218 274 A C 2.115 179.403 177.584 -0.494 0.000 1.181 274 A CA 1.626 53.416 52.037 -0.410 0.000 0.627 274 A CB -0.258 18.503 19.000 -0.399 0.000 0.818 274 A HN 0.238 nan 8.150 nan 0.000 0.445 275 K N -0.855 119.036 120.400 -0.849 0.000 2.404 275 K HA 0.125 4.445 4.320 -0.001 0.000 0.194 275 K C -0.143 175.853 176.600 -1.007 0.000 1.023 275 K CA 0.382 56.023 56.287 -1.077 0.000 1.094 275 K CB 0.164 31.468 32.500 -1.995 0.000 0.841 275 K HN 0.599 nan 8.250 nan 0.000 0.523 276 K N 0.420 120.390 120.400 -0.716 0.000 3.129 276 K HA -0.167 4.153 4.320 -0.001 0.000 0.273 276 K C -0.420 175.971 176.600 -0.348 0.000 1.123 276 K CA 0.332 56.366 56.287 -0.422 0.000 0.800 276 K CB -2.152 30.186 32.500 -0.270 0.000 1.238 276 K HN 0.093 nan 8.250 nan 0.000 0.492 277 F N 0.289 120.025 119.950 -0.357 0.000 2.450 277 F HA 0.018 4.545 4.527 -0.001 0.000 0.339 277 F C 1.801 177.498 175.800 -0.173 0.000 1.146 277 F CA -0.643 57.164 58.000 -0.320 0.000 1.267 277 F CB 0.551 39.264 39.000 -0.480 0.000 1.178 277 F HN -0.037 nan 8.300 nan 0.000 0.585 278 D N 0.773 121.166 120.400 -0.013 0.000 2.327 278 D HA 0.126 4.765 4.640 -0.001 0.000 0.205 278 D C -0.392 175.791 176.300 -0.194 0.000 0.989 278 D CA 0.810 54.688 54.000 -0.204 0.000 0.873 278 D CB 0.542 40.867 40.800 -0.792 0.000 0.955 278 D HN 0.117 nan 8.370 nan 0.000 0.515 279 L N -0.137 120.971 121.223 -0.192 0.000 2.526 279 L HA 0.644 4.984 4.340 -0.001 0.000 0.263 279 L C -1.912 174.696 176.870 -0.438 0.000 0.943 279 L CA -0.642 54.062 54.840 -0.226 0.000 0.859 279 L CB 1.868 43.756 42.059 -0.285 0.000 1.313 279 L HN -0.117 nan 8.230 nan 0.000 0.406 280 A N 2.310 124.928 122.820 -0.337 0.000 2.566 280 A HA 0.938 5.258 4.320 -0.001 0.000 0.292 280 A C -0.988 176.590 177.584 -0.009 0.000 1.112 280 A CA -0.307 51.470 52.037 -0.433 0.000 0.707 280 A CB 2.084 20.969 19.000 -0.190 0.000 1.302 280 A HN 0.701 nan 8.150 nan 0.000 0.409 281 T N -0.025 114.584 114.554 0.092 0.000 2.889 281 T HA 0.501 4.851 4.350 -0.001 0.000 0.315 281 T C -1.381 173.345 174.700 0.043 0.000 1.291 281 T CA -0.540 61.752 62.100 0.320 0.000 1.028 281 T CB 1.147 70.222 68.868 0.346 0.000 1.235 281 T HN 0.621 nan 8.240 nan 0.000 0.491 282 K N 1.772 122.076 120.400 -0.159 0.000 2.123 282 K HA 0.770 5.090 4.320 -0.001 0.000 0.259 282 K C -0.550 175.932 176.600 -0.197 0.000 0.960 282 K CA -0.799 55.292 56.287 -0.328 0.000 0.872 282 K CB 1.793 33.983 32.500 -0.518 0.000 1.079 282 K HN 0.498 nan 8.250 nan 0.000 0.440 283 V N -1.329 118.465 119.914 -0.200 0.000 3.159 283 V HA 0.778 4.898 4.120 -0.001 0.000 0.308 283 V C -0.718 175.262 176.094 -0.190 0.000 1.190 283 V CA -0.953 61.236 62.300 -0.186 0.000 1.037 283 V CB 1.735 33.486 31.823 -0.120 0.000 1.060 283 V HN 0.577 nan 8.190 nan 0.000 0.437 284 V N -0.864 118.936 119.914 -0.190 0.000 3.078 284 V HA 0.686 4.805 4.120 -0.001 0.000 0.311 284 V C -0.094 175.938 176.094 -0.103 0.000 1.138 284 V CA -1.152 61.067 62.300 -0.135 0.000 1.007 284 V CB 1.817 33.569 31.823 -0.119 0.000 1.045 284 V HN 1.281 nan 8.190 nan 0.000 0.432 285 R N 1.873 122.332 120.500 -0.067 0.000 2.538 285 R HA 0.137 4.476 4.340 -0.001 0.000 0.282 285 R C 0.328 176.604 176.300 -0.039 0.000 1.009 285 R CA -0.050 56.020 56.100 -0.049 0.000 1.063 285 R CB 0.349 30.628 30.300 -0.034 0.000 0.945 285 R HN 0.897 nan 8.270 nan 0.000 0.414 286 K N 3.681 124.057 120.400 -0.039 0.000 2.484 286 K HA -0.122 4.198 4.320 -0.001 0.000 0.280 286 K C 1.135 177.732 176.600 -0.005 0.000 1.013 286 K CA 0.193 56.465 56.287 -0.025 0.000 1.029 286 K CB 0.632 33.116 32.500 -0.026 0.000 0.902 286 K HN 0.635 nan 8.250 nan 0.000 0.481 287 R N 2.183 122.689 120.500 0.010 0.000 2.070 287 R HA -0.160 4.179 4.340 -0.001 0.000 0.232 287 R C -0.239 176.066 176.300 0.007 0.000 1.138 287 R CA 2.444 58.552 56.100 0.014 0.000 0.936 287 R CB 0.096 30.413 30.300 0.027 0.000 0.839 287 R HN 0.898 nan 8.270 nan 0.000 0.429 288 D N -3.761 116.643 120.400 0.006 0.000 2.622 288 D HA 0.239 4.879 4.640 -0.001 0.000 0.255 288 D C -0.032 176.274 176.300 0.009 0.000 1.246 288 D CA -0.060 53.945 54.000 0.007 0.000 0.795 288 D CB 0.800 41.604 40.800 0.005 0.000 1.369 288 D HN 0.051 nan 8.370 nan 0.000 0.425 289 A N 0.679 123.509 122.820 0.017 0.000 1.997 289 A HA -0.190 4.130 4.320 -0.001 0.000 0.221 289 A C 1.953 179.551 177.584 0.023 0.000 1.172 289 A CA 2.703 54.755 52.037 0.025 0.000 0.645 289 A CB -1.772 17.247 19.000 0.031 0.000 0.813 289 A HN 0.886 nan 8.150 nan 0.000 0.454 290 N N -0.312 118.396 118.700 0.012 0.000 2.336 290 N HA 0.134 4.873 4.740 -0.001 0.000 0.189 290 N C 0.611 176.108 175.510 -0.022 0.000 1.113 290 N CA 0.604 53.657 53.050 0.005 0.000 0.858 290 N CB -0.279 38.209 38.487 0.002 0.000 0.970 290 N HN 0.777 nan 8.380 nan 0.000 0.471 291 E N 0.549 120.736 120.200 -0.023 0.000 2.415 291 E HA 0.080 4.429 4.350 -0.001 0.000 0.263 291 E C -0.460 176.075 176.600 -0.110 0.000 0.995 291 E CA -0.160 56.209 56.400 -0.051 0.000 0.915 291 E CB 0.288 29.978 29.700 -0.016 0.000 0.951 291 E HN 0.348 nan 8.360 nan 0.000 0.449 292 S N 3.894 119.438 115.700 -0.259 0.000 4.175 292 S HA 0.116 4.586 4.470 -0.001 0.000 0.193 292 S C -0.431 173.847 174.600 -0.536 0.000 1.373 292 S CA -0.474 57.304 58.200 -0.703 0.000 0.908 292 S CB -0.764 61.846 63.200 -0.983 0.000 1.547 292 S HN 0.400 nan 8.310 nan 0.000 0.440 293 V N -0.921 118.938 119.914 -0.092 0.000 2.709 293 V HA 0.928 5.048 4.120 -0.001 0.000 0.308 293 V C 0.496 176.661 176.094 0.118 0.000 1.062 293 V CA -1.080 61.255 62.300 0.057 0.000 0.901 293 V CB 1.107 32.919 31.823 -0.018 0.000 1.003 293 V HN 0.393 nan 8.190 nan 0.000 0.425 294 G N 2.756 111.596 108.800 0.066 0.000 2.636 294 G HA2 0.546 4.505 3.960 -0.001 0.000 0.246 294 G HA3 0.546 4.505 3.960 -0.001 0.000 0.246 294 G C -0.804 173.989 174.900 -0.178 0.000 1.216 294 G CA -0.601 44.424 45.100 -0.124 0.000 0.854 294 G HN 0.841 nan 8.290 nan 0.000 0.572 295 L N 0.492 121.569 121.223 -0.243 0.000 2.356 295 L HA 0.341 4.681 4.340 -0.001 0.000 0.277 295 L C -0.709 175.997 176.870 -0.273 0.000 0.996 295 L CA -0.914 53.793 54.840 -0.222 0.000 0.822 295 L CB 2.120 44.065 42.059 -0.190 0.000 1.256 295 L HN 0.253 nan 8.230 nan 0.000 0.413 296 I N 4.407 124.864 120.570 -0.188 0.000 2.396 296 I HA 0.318 4.488 4.170 -0.001 0.000 0.289 296 I C 0.278 176.297 176.117 -0.163 0.000 1.056 296 I CA 0.127 61.349 61.300 -0.131 0.000 1.365 296 I CB 1.064 39.081 38.000 0.027 0.000 1.407 296 I HN 0.319 nan 8.210 nan 0.000 0.509 297 V N 4.711 124.497 119.914 -0.212 0.000 3.156 297 V HA 0.676 4.795 4.120 -0.001 0.000 0.310 297 V C -1.154 174.861 176.094 -0.133 0.000 1.234 297 V CA -1.182 60.997 62.300 -0.201 0.000 1.065 297 V CB 2.008 33.644 31.823 -0.312 0.000 1.088 297 V HN 0.461 nan 8.190 nan 0.000 0.451 298 L N 1.882 123.078 121.223 -0.046 0.000 2.282 298 L HA 0.648 4.988 4.340 -0.001 0.000 0.288 298 L C -0.368 176.583 176.870 0.135 0.000 1.033 298 L CA 0.160 55.003 54.840 0.005 0.000 0.807 298 L CB 1.162 43.231 42.059 0.016 0.000 1.209 298 L HN 0.927 nan 8.230 nan 0.000 0.423 299 D N 3.673 124.162 120.400 0.148 0.000 2.352 299 D HA 0.061 4.701 4.640 -0.001 0.000 0.245 299 D C 0.685 177.063 176.300 0.129 0.000 1.224 299 D CA 0.096 54.248 54.000 0.254 0.000 0.879 299 D CB 1.097 42.027 40.800 0.218 0.000 1.057 299 D HN 0.609 nan 8.370 nan 0.000 0.491 300 Q N 2.552 122.419 119.800 0.111 0.000 2.181 300 Q HA -0.153 4.187 4.340 -0.001 0.000 0.205 300 Q C 0.709 176.730 176.000 0.035 0.000 0.980 300 Q CA 1.148 56.988 55.803 0.062 0.000 0.862 300 Q CB 0.220 28.988 28.738 0.050 0.000 0.905 300 Q HN 0.594 nan 8.270 nan 0.000 0.429 301 D N 0.995 121.408 120.400 0.021 0.000 2.104 301 D HA -0.140 4.499 4.640 -0.001 0.000 0.194 301 D C 1.375 177.689 176.300 0.024 0.000 0.994 301 D CA 1.506 55.512 54.000 0.010 0.000 0.830 301 D CB -0.225 40.572 40.800 -0.005 0.000 0.959 301 D HN 0.444 nan 8.370 nan 0.000 0.452 302 N N -0.584 118.139 118.700 0.039 0.000 2.184 302 N HA -0.035 4.705 4.740 -0.001 0.000 0.206 302 N C -0.238 175.297 175.510 0.041 0.000 1.151 302 N CA 0.052 53.126 53.050 0.040 0.000 0.878 302 N CB 0.179 38.695 38.487 0.048 0.000 1.014 302 N HN -0.220 nan 8.380 nan 0.000 0.512 303 Q N -0.209 119.616 119.800 0.042 0.000 2.468 303 Q HA -0.155 4.185 4.340 -0.001 0.000 0.289 303 Q C -0.988 175.025 176.000 0.021 0.000 1.299 303 Q CA 1.005 56.828 55.803 0.035 0.000 0.838 303 Q CB -1.334 27.423 28.738 0.033 0.000 1.195 303 Q HN 0.503 nan 8.270 nan 0.000 0.456 304 K N 0.393 120.803 120.400 0.017 0.000 2.375 304 K HA 0.587 4.907 4.320 -0.001 0.000 0.249 304 K C -2.350 174.200 176.600 -0.083 0.000 0.942 304 K CA -1.989 54.287 56.287 -0.019 0.000 0.806 304 K CB 1.986 34.502 32.500 0.027 0.000 1.227 304 K HN -0.112 nan 8.250 nan 0.000 0.430 305 P HA 0.269 nan 4.420 nan 0.000 0.274 305 P C -0.248 176.926 177.300 -0.210 0.000 1.231 305 P CA -0.345 62.521 63.100 -0.390 0.000 0.790 305 P CB 0.739 31.780 31.700 -1.098 0.000 0.951 306 C N -0.625 118.587 119.300 -0.147 0.000 3.259 306 C HA 0.662 5.121 4.460 -0.001 0.000 0.344 306 C C -1.174 173.708 174.990 -0.180 0.000 1.401 306 C CA -0.703 58.283 59.018 -0.054 0.000 1.219 306 C CB 0.945 28.675 27.740 -0.017 0.000 1.521 306 C HN 0.345 nan 8.230 nan 0.000 0.455 307 V N 1.607 121.341 119.914 -0.299 0.000 2.540 307 V HA 0.546 4.666 4.120 -0.001 0.000 0.302 307 V C -0.280 175.509 176.094 -0.508 0.000 1.035 307 V CA -0.277 61.675 62.300 -0.579 0.000 0.873 307 V CB 1.646 32.693 31.823 -1.293 0.000 0.992 307 V HN 0.751 nan 8.190 nan 0.000 0.428 308 I N 3.159 123.440 120.570 -0.481 0.000 2.307 308 I HA 0.392 4.562 4.170 -0.001 0.000 0.289 308 I C 0.250 176.227 176.117 -0.234 0.000 1.021 308 I CA -0.476 60.631 61.300 -0.322 0.000 1.224 308 I CB 1.205 38.962 38.000 -0.404 0.000 1.376 308 I HN 0.555 nan 8.210 nan 0.000 0.470 309 E N 4.723 124.849 120.200 -0.123 0.000 2.398 309 E HA -0.061 4.289 4.350 -0.001 0.000 0.263 309 E C 0.566 177.082 176.600 -0.141 0.000 1.046 309 E CA 0.121 56.422 56.400 -0.165 0.000 0.908 309 E CB 0.481 30.088 29.700 -0.156 0.000 0.963 309 E HN 0.480 nan 8.360 nan 0.000 0.431 310 Y N 1.435 121.712 120.300 -0.039 0.000 2.403 310 Y HA -0.101 4.448 4.550 -0.001 0.000 0.291 310 Y C 1.549 177.466 175.900 0.028 0.000 1.143 310 Y CA 1.111 59.205 58.100 -0.011 0.000 1.257 310 Y CB -0.665 37.783 38.460 -0.020 0.000 0.984 310 Y HN 0.334 nan 8.280 nan 0.000 0.550 311 S N -0.889 114.575 115.700 -0.393 0.000 2.593 311 S HA 0.115 4.585 4.470 -0.001 0.000 0.217 311 S C 0.910 175.506 174.600 -0.006 0.000 0.966 311 S CA 0.348 58.465 58.200 -0.138 0.000 0.914 311 S CB -0.128 62.905 63.200 -0.279 0.000 0.776 311 S HN 0.680 nan 8.310 nan 0.000 0.523 312 E N 0.140 120.347 120.200 0.011 0.000 2.676 312 E HA 0.392 4.742 4.350 -0.001 0.000 0.225 312 E C -0.133 176.529 176.600 0.103 0.000 0.944 312 E CA -0.242 56.209 56.400 0.084 0.000 1.156 312 E CB 0.789 30.573 29.700 0.140 0.000 1.117 312 E HN 0.510 nan 8.360 nan 0.000 0.523 313 I N 1.237 121.860 120.570 0.088 0.000 2.581 313 I HA 0.251 4.420 4.170 -0.001 0.000 0.288 313 I C 0.304 176.491 176.117 0.116 0.000 1.047 313 I CA -0.094 61.275 61.300 0.114 0.000 1.374 313 I CB 0.894 38.945 38.000 0.085 0.000 1.423 313 I HN 0.033 nan 8.210 nan 0.000 0.549 314 S N 4.173 119.951 115.700 0.131 0.000 2.576 314 S HA 0.329 4.799 4.470 -0.001 0.000 0.276 314 S C 0.957 175.613 174.600 0.094 0.000 1.339 314 S CA 0.268 58.530 58.200 0.103 0.000 1.039 314 S CB 1.075 64.334 63.200 0.099 0.000 0.902 314 S HN 0.819 nan 8.310 nan 0.000 0.516 315 Q N 0.504 120.350 119.800 0.076 0.000 2.224 315 Q HA 0.099 4.439 4.340 -0.001 0.000 0.203 315 Q C 1.993 178.032 176.000 0.066 0.000 0.970 315 Q CA 2.145 57.989 55.803 0.068 0.000 0.865 315 Q CB -1.555 27.216 28.738 0.056 0.000 0.922 315 Q HN 1.167 nan 8.270 nan 0.000 0.445 316 E N -0.146 120.093 120.200 0.066 0.000 2.230 316 E HA 0.207 4.556 4.350 -0.001 0.000 0.192 316 E C 1.957 178.608 176.600 0.085 0.000 0.987 316 E CA 1.043 57.480 56.400 0.062 0.000 0.841 316 E CB -0.258 29.471 29.700 0.048 0.000 0.783 316 E HN 0.499 nan 8.360 nan 0.000 0.481 317 L N 0.065 121.353 121.223 0.109 0.000 2.131 317 L HA 0.298 4.637 4.340 -0.001 0.000 0.206 317 L C 2.725 179.685 176.870 0.150 0.000 1.087 317 L CA 1.761 56.695 54.840 0.156 0.000 0.767 317 L CB -0.395 41.782 42.059 0.198 0.000 0.917 317 L HN 0.340 nan 8.230 nan 0.000 0.441 318 A N -1.004 121.884 122.820 0.114 0.000 1.968 318 A HA -0.106 4.213 4.320 -0.001 0.000 0.217 318 A C 1.895 179.530 177.584 0.084 0.000 1.169 318 A CA 1.349 53.440 52.037 0.091 0.000 0.638 318 A CB -0.462 18.585 19.000 0.078 0.000 0.812 318 A HN 0.531 nan 8.150 nan 0.000 0.446 319 N N -0.223 118.524 118.700 0.080 0.000 2.398 319 N HA -0.005 4.734 4.740 -0.001 0.000 0.188 319 N C 0.320 175.875 175.510 0.074 0.000 1.122 319 N CA 0.150 53.239 53.050 0.066 0.000 0.866 319 N CB 0.067 38.586 38.487 0.052 0.000 0.970 319 N HN 0.490 nan 8.380 nan 0.000 0.462 320 K N 2.073 122.534 120.400 0.101 0.000 2.436 320 K HA -0.005 4.314 4.320 -0.001 0.000 0.282 320 K C -0.164 176.512 176.600 0.125 0.000 1.044 320 K CA 0.078 56.428 56.287 0.104 0.000 1.028 320 K CB 0.549 33.138 32.500 0.148 0.000 0.919 320 K HN -0.231 nan 8.250 nan 0.000 0.474 321 K N 2.765 123.209 120.400 0.073 0.000 2.138 321 K HA 0.040 4.360 4.320 -0.001 0.000 0.251 321 K C -0.112 176.542 176.600 0.090 0.000 1.015 321 K CA -0.633 55.700 56.287 0.077 0.000 0.917 321 K CB 0.677 33.200 32.500 0.038 0.000 1.021 321 K HN 0.756 nan 8.250 nan 0.000 0.485 322 D N 0.803 121.278 120.400 0.124 0.000 2.351 322 D HA 0.109 4.748 4.640 -0.001 0.000 0.251 322 D C -1.686 174.630 176.300 0.027 0.000 1.137 322 D CA -1.921 52.175 54.000 0.160 0.000 0.879 322 D CB 1.470 42.390 40.800 0.201 0.000 1.181 322 D HN 0.049 nan 8.370 nan 0.000 0.448 323 P HA -0.134 nan 4.420 nan 0.000 0.213 323 P C 1.135 178.426 177.300 -0.015 0.000 1.170 323 P CA 1.873 64.918 63.100 -0.091 0.000 0.898 323 P CB 0.100 31.694 31.700 -0.177 0.000 0.787 324 Q N -0.321 119.494 119.800 0.026 0.000 2.515 324 Q HA -0.055 4.284 4.340 -0.001 0.000 0.212 324 Q C 0.538 176.562 176.000 0.039 0.000 0.970 324 Q CA 1.163 56.989 55.803 0.038 0.000 0.941 324 Q CB -0.852 27.922 28.738 0.059 0.000 0.998 324 Q HN 0.208 nan 8.270 nan 0.000 0.518 325 D N -2.572 117.853 120.400 0.042 0.000 2.362 325 D HA 0.319 4.959 4.640 -0.001 0.000 0.228 325 D C 0.698 177.020 176.300 0.037 0.000 1.326 325 D CA 0.644 54.667 54.000 0.038 0.000 0.927 325 D CB 0.421 41.249 40.800 0.046 0.000 1.501 325 D HN 0.171 nan 8.370 nan 0.000 0.519 326 S N 1.339 117.052 115.700 0.023 0.000 2.440 326 S HA -0.160 4.310 4.470 -0.001 0.000 0.240 326 S C 1.868 176.483 174.600 0.025 0.000 1.014 326 S CA 2.251 60.462 58.200 0.019 0.000 0.980 326 S CB -0.159 63.047 63.200 0.010 0.000 0.775 326 S HN 0.565 nan 8.310 nan 0.000 0.499 327 S N 0.489 116.204 115.700 0.025 0.000 2.425 327 S HA 0.188 4.657 4.470 -0.001 0.000 0.225 327 S C 1.140 175.758 174.600 0.030 0.000 1.024 327 S CA 0.521 58.735 58.200 0.024 0.000 0.951 327 S CB 0.064 63.275 63.200 0.018 0.000 0.796 327 S HN 0.632 nan 8.310 nan 0.000 0.498 328 K N 0.601 121.026 120.400 0.040 0.000 2.095 328 K HA 0.623 4.943 4.320 -0.001 0.000 0.252 328 K C -0.803 175.839 176.600 0.071 0.000 0.977 328 K CA -0.570 55.745 56.287 0.047 0.000 0.900 328 K CB 1.450 33.977 32.500 0.046 0.000 1.060 328 K HN 0.185 nan 8.250 nan 0.000 0.449 329 L N 2.047 123.310 121.223 0.067 0.000 2.436 329 L HA 0.078 4.418 4.340 -0.001 0.000 0.265 329 L C 1.272 178.231 176.870 0.149 0.000 1.168 329 L CA -0.223 54.674 54.840 0.095 0.000 0.815 329 L CB 0.172 42.268 42.059 0.061 0.000 1.109 329 L HN 0.649 nan 8.230 nan 0.000 0.462 330 F N 2.694 122.655 119.950 0.019 0.000 2.084 330 F HA -0.006 4.521 4.527 -0.001 0.000 0.296 330 F C 0.889 176.702 175.800 0.022 0.000 1.111 330 F CA 0.967 58.981 58.000 0.024 0.000 1.224 330 F CB 0.078 39.099 39.000 0.035 0.000 0.991 330 F HN 0.146 nan 8.300 nan 0.000 0.471 331 L N 2.516 123.653 121.223 -0.144 0.000 2.259 331 L HA 0.337 4.676 4.340 -0.001 0.000 0.288 331 L C 0.630 177.427 176.870 -0.122 0.000 1.051 331 L CA -0.197 54.489 54.840 -0.256 0.000 0.824 331 L CB 0.769 42.731 42.059 -0.161 0.000 1.206 331 L HN 0.213 nan 8.230 nan 0.000 0.429 332 R N 1.752 122.174 120.500 -0.130 0.000 2.566 332 R HA 0.385 4.724 4.340 -0.001 0.000 0.388 332 R C 0.120 176.367 176.300 -0.089 0.000 0.989 332 R CA -0.309 55.743 56.100 -0.080 0.000 1.164 332 R CB 0.578 30.851 30.300 -0.045 0.000 1.459 332 R HN 0.427 nan 8.270 nan 0.000 0.553 333 A N 1.845 124.598 122.820 -0.111 0.000 2.807 333 A HA 0.646 4.966 4.320 -0.001 0.000 0.307 333 A C 0.385 177.899 177.584 -0.118 0.000 1.532 333 A CA -0.392 51.583 52.037 -0.103 0.000 1.215 333 A CB -0.164 18.783 19.000 -0.089 0.000 1.127 333 A HN 0.470 nan 8.150 nan 0.000 0.543 334 A N 2.738 125.482 122.820 -0.127 0.000 2.450 334 A HA 0.386 4.705 4.320 -0.001 0.000 0.255 334 A C 0.514 177.976 177.584 -0.204 0.000 1.096 334 A CA -0.401 51.544 52.037 -0.153 0.000 0.778 334 A CB -0.190 18.723 19.000 -0.145 0.000 1.031 334 A HN 0.827 nan 8.150 nan 0.000 0.494 335 N N 1.721 120.313 118.700 -0.182 0.000 2.452 335 N HA 0.208 4.948 4.740 -0.001 0.000 0.266 335 N C 0.253 175.602 175.510 -0.269 0.000 1.175 335 N CA -0.082 52.877 53.050 -0.152 0.000 0.945 335 N CB 0.225 38.647 38.487 -0.108 0.000 1.063 335 N HN 0.572 nan 8.380 nan 0.000 0.472 336 I N 0.601 120.971 120.570 -0.333 0.000 3.816 336 I HA 0.290 4.459 4.170 -0.001 0.000 0.334 336 I C -0.298 175.724 176.117 -0.159 0.000 1.551 336 I CA -0.768 60.215 61.300 -0.529 0.000 1.153 336 I CB 0.075 37.575 38.000 -0.834 0.000 1.197 336 I HN 0.149 nan 8.210 nan 0.000 0.439 337 V N 1.448 121.321 119.914 -0.069 0.000 5.915 337 V HA -0.291 3.828 4.120 -0.001 0.000 0.250 337 V C -0.145 175.809 176.094 -0.234 0.000 0.647 337 V CA 1.280 63.537 62.300 -0.072 0.000 0.573 337 V CB -2.236 29.653 31.823 0.110 0.000 0.266 337 V HN 0.937 nan 8.190 nan 0.000 0.580 338 N N 2.035 120.440 118.700 -0.491 0.000 2.581 338 N HA 0.344 5.084 4.740 -0.001 0.000 0.279 338 N C -0.866 174.611 175.510 -0.055 0.000 1.124 338 N CA -0.411 52.554 53.050 -0.142 0.000 0.833 338 N CB 1.252 39.715 38.487 -0.039 0.000 1.338 338 N HN 0.615 nan 8.380 nan 0.000 0.533 339 H N 1.769 121.213 119.070 0.624 0.000 2.679 339 H HA 0.291 4.846 4.556 -0.001 0.000 0.367 339 H C -1.171 174.561 175.328 0.674 0.000 1.162 339 H CA -0.389 56.023 56.048 0.607 0.000 1.181 339 H CB 1.914 31.913 29.762 0.394 0.000 1.693 339 H HN 0.492 nan 8.280 nan 0.000 0.538 340 Y N 1.749 122.219 120.300 0.283 0.000 2.364 340 Y HA 0.431 4.981 4.550 -0.001 0.000 0.340 340 Y C -1.832 174.033 175.900 -0.058 0.000 0.975 340 Y CA -0.751 57.335 58.100 -0.023 0.000 1.089 340 Y CB 0.928 38.969 38.460 -0.698 0.000 1.192 340 Y HN 0.444 nan 8.280 nan 0.000 0.454 341 Y N 2.781 122.680 120.300 -0.668 0.000 2.477 341 Y HA 0.414 4.964 4.550 -0.001 0.000 0.347 341 Y C -0.094 175.442 175.900 -0.606 0.000 0.981 341 Y CA -1.105 56.800 58.100 -0.324 0.000 1.033 341 Y CB 2.180 40.719 38.460 0.133 0.000 1.245 341 Y HN 0.600 nan 8.280 nan 0.000 0.455 342 S N 0.989 116.693 115.700 0.008 0.000 2.523 342 S HA 0.222 4.692 4.470 -0.001 0.000 0.275 342 S C 0.779 175.463 174.600 0.141 0.000 1.281 342 S CA -0.492 57.775 58.200 0.111 0.000 1.050 342 S CB 0.817 64.162 63.200 0.242 0.000 0.937 342 S HN 0.594 nan 8.310 nan 0.000 0.492 343 V N 4.254 124.187 119.914 0.033 0.000 2.515 343 V HA -0.112 4.007 4.120 -0.001 0.000 0.250 343 V C 2.777 178.875 176.094 0.007 0.000 1.058 343 V CA 2.160 64.464 62.300 0.006 0.000 1.064 343 V CB -0.923 30.875 31.823 -0.042 0.000 0.675 343 V HN 1.020 nan 8.190 nan 0.000 0.461 344 E N -0.564 119.654 120.200 0.030 0.000 2.150 344 E HA -0.241 4.109 4.350 -0.001 0.000 0.193 344 E C 2.048 178.679 176.600 0.053 0.000 0.985 344 E CA 1.213 57.624 56.400 0.019 0.000 0.814 344 E CB -1.087 28.628 29.700 0.026 0.000 0.752 344 E HN 0.701 nan 8.360 nan 0.000 0.466 345 F N 1.326 121.260 119.950 -0.028 0.000 2.146 345 F HA 0.177 4.704 4.527 -0.001 0.000 0.298 345 F C 2.085 177.805 175.800 -0.134 0.000 1.096 345 F CA 1.186 59.168 58.000 -0.030 0.000 1.275 345 F CB -0.326 38.722 39.000 0.082 0.000 1.008 345 F HN 0.082 nan 8.300 nan 0.000 0.480 346 L N 0.054 121.195 121.223 -0.137 0.000 2.056 346 L HA -0.241 4.098 4.340 -0.001 0.000 0.207 346 L C 2.263 178.904 176.870 -0.381 0.000 1.078 346 L CA 1.155 55.802 54.840 -0.322 0.000 0.749 346 L CB -0.832 41.161 42.059 -0.111 0.000 0.901 346 L HN 0.147 nan 8.230 nan 0.000 0.433 347 N N 0.292 118.849 118.700 -0.239 0.000 2.166 347 N HA -0.221 4.519 4.740 -0.001 0.000 0.186 347 N C 1.777 177.116 175.510 -0.285 0.000 1.019 347 N CA 1.253 54.172 53.050 -0.218 0.000 0.856 347 N CB -0.115 38.291 38.487 -0.135 0.000 0.993 347 N HN 0.367 nan 8.380 nan 0.000 0.426 348 K N 0.021 120.224 120.400 -0.327 0.000 2.116 348 K HA 0.056 4.376 4.320 -0.001 0.000 0.203 348 K C 1.511 177.767 176.600 -0.572 0.000 1.052 348 K CA 0.763 56.839 56.287 -0.351 0.000 0.952 348 K CB 0.191 32.545 32.500 -0.242 0.000 0.729 348 K HN -0.018 nan 8.250 nan 0.000 0.446 349 M N 0.507 119.529 119.600 -0.964 0.000 2.534 349 M HA 0.047 4.527 4.480 -0.001 0.000 0.263 349 M C 1.968 177.281 176.300 -1.645 0.000 1.152 349 M CA 0.468 54.847 55.300 -1.535 0.000 1.145 349 M CB -0.246 30.932 32.600 -2.370 0.000 1.333 349 M HN 0.075 nan 8.290 nan 0.000 0.477 350 I N 1.385 121.283 120.570 -1.120 0.000 2.151 350 I HA -0.219 3.951 4.170 -0.001 0.000 0.243 350 I C -0.373 175.522 176.117 -0.370 0.000 1.080 350 I CA 1.995 62.935 61.300 -0.599 0.000 1.339 350 I CB -2.528 35.304 38.000 -0.281 0.000 1.039 350 I HN 0.113 nan 8.210 nan 0.000 0.409 351 P HA -0.182 nan 4.420 nan 0.000 0.216 351 P C 1.571 178.761 177.300 -0.184 0.000 1.153 351 P CA 1.750 64.729 63.100 -0.202 0.000 0.858 351 P CB -0.070 31.516 31.700 -0.190 0.000 0.789 352 K N -1.725 118.483 120.400 -0.319 0.000 2.057 352 K HA -0.120 4.200 4.320 -0.001 0.000 0.206 352 K C 2.048 178.550 176.600 -0.163 0.000 1.050 352 K CA 1.224 57.361 56.287 -0.250 0.000 0.935 352 K CB -0.514 31.745 32.500 -0.402 0.000 0.715 352 K HN 0.188 nan 8.250 nan 0.000 0.439 353 W N 1.700 122.747 121.300 -0.422 0.000 2.402 353 W HA -0.029 4.631 4.660 -0.001 0.000 0.286 353 W C 1.897 178.391 176.519 -0.043 0.000 1.221 353 W CA 0.501 57.636 57.345 -0.349 0.000 1.257 353 W CB -0.505 28.675 29.460 -0.466 0.000 1.120 353 W HN 0.102 nan 8.180 nan 0.000 0.551 354 I N -0.751 119.927 120.570 0.180 0.000 3.793 354 I HA 0.096 4.265 4.170 -0.001 0.000 0.315 354 I C 1.504 177.692 176.117 0.118 0.000 1.275 354 I CA 1.064 62.462 61.300 0.163 0.000 1.214 354 I CB -0.596 37.489 38.000 0.141 0.000 1.018 354 I HN -0.143 nan 8.210 nan 0.000 0.439 355 S N -0.846 114.922 115.700 0.112 0.000 2.523 355 S HA 0.304 4.773 4.470 -0.001 0.000 0.217 355 S C 0.623 175.277 174.600 0.089 0.000 0.996 355 S CA -0.435 57.813 58.200 0.081 0.000 0.921 355 S CB 0.073 63.304 63.200 0.051 0.000 0.829 355 S HN 0.329 nan 8.310 nan 0.000 0.495 356 S N 1.438 117.233 115.700 0.158 0.000 2.542 356 S HA 0.445 4.915 4.470 -0.001 0.000 0.293 356 S C -0.007 174.620 174.600 0.044 0.000 1.089 356 S CA -0.701 57.557 58.200 0.096 0.000 0.961 356 S CB 1.811 65.089 63.200 0.131 0.000 1.062 356 S HN 0.119 nan 8.310 nan 0.000 0.483 357 Q N 1.384 121.128 119.800 -0.094 0.000 2.403 357 Q HA 0.047 4.387 4.340 -0.001 0.000 0.203 357 Q C 2.079 177.964 176.000 -0.190 0.000 0.932 357 Q CA 0.330 56.026 55.803 -0.179 0.000 0.945 357 Q CB -0.409 28.155 28.738 -0.290 0.000 1.045 357 Q HN 0.794 nan 8.270 nan 0.000 0.511 358 K N 0.173 120.424 120.400 -0.249 0.000 2.148 358 K HA -0.137 4.182 4.320 -0.001 0.000 0.204 358 K C 1.400 177.736 176.600 -0.441 0.000 1.050 358 K CA 1.352 57.385 56.287 -0.424 0.000 0.942 358 K CB -0.589 31.509 32.500 -0.670 0.000 0.724 358 K HN 0.348 nan 8.250 nan 0.000 0.446 359 Y N -1.251 119.037 120.300 -0.021 0.000 2.524 359 Y HA 0.394 4.943 4.550 -0.001 0.000 0.270 359 Y C 1.097 176.946 175.900 -0.085 0.000 1.094 359 Y CA -0.256 57.813 58.100 -0.052 0.000 1.276 359 Y CB 0.583 39.007 38.460 -0.059 0.000 1.130 359 Y HN -0.032 nan 8.280 nan 0.000 0.536 360 L N 3.274 124.557 121.223 0.100 0.000 2.732 360 L HA 0.358 4.698 4.340 -0.001 0.000 0.246 360 L C -2.648 174.198 176.870 -0.041 0.000 1.407 360 L CA -1.776 53.099 54.840 0.058 0.000 0.861 360 L CB 0.729 42.869 42.059 0.136 0.000 1.161 360 L HN -0.155 nan 8.230 nan 0.000 0.510 361 P HA 0.055 nan 4.420 nan 0.000 0.272 361 P C -0.498 176.643 177.300 -0.264 0.000 1.223 361 P CA -0.171 62.758 63.100 -0.284 0.000 0.784 361 P CB 0.760 32.276 31.700 -0.307 0.000 0.923 362 F N 1.078 120.820 119.950 -0.346 0.000 2.418 362 F HA 0.219 4.746 4.527 -0.001 0.000 0.341 362 F C 1.505 176.964 175.800 -0.569 0.000 1.120 362 F CA 0.126 57.918 58.000 -0.348 0.000 1.232 362 F CB -0.329 38.534 39.000 -0.228 0.000 1.175 362 F HN 0.266 nan 8.300 nan 0.000 0.569 363 H N 3.227 122.182 119.070 -0.192 0.000 2.495 363 H HA 0.443 4.999 4.556 -0.001 0.000 0.348 363 H C -0.724 174.511 175.328 -0.156 0.000 1.113 363 H CA -0.643 55.225 56.048 -0.300 0.000 1.195 363 H CB 2.200 31.492 29.762 -0.783 0.000 1.521 363 H HN 0.319 nan 8.280 nan 0.000 0.509 364 I N 1.914 122.492 120.570 0.013 0.000 2.359 364 I HA 0.391 4.561 4.170 -0.001 0.000 0.294 364 I C 0.091 176.236 176.117 0.046 0.000 0.987 364 I CA -0.236 61.068 61.300 0.006 0.000 1.225 364 I CB 1.596 39.589 38.000 -0.011 0.000 1.366 364 I HN 0.581 nan 8.210 nan 0.000 0.466 365 A N 5.968 128.815 122.820 0.044 0.000 2.357 365 A HA 0.609 4.929 4.320 -0.001 0.000 0.295 365 A C -0.537 177.076 177.584 0.047 0.000 1.121 365 A CA -0.858 51.214 52.037 0.059 0.000 0.742 365 A CB 0.515 19.561 19.000 0.076 0.000 1.181 365 A HN 0.639 nan 8.150 nan 0.000 0.454 366 K N 2.227 122.654 120.400 0.045 0.000 2.412 366 K HA 0.346 4.665 4.320 -0.001 0.000 0.281 366 K C -0.151 176.470 176.600 0.035 0.000 1.027 366 K CA 0.250 56.561 56.287 0.040 0.000 0.989 366 K CB 0.530 33.053 32.500 0.038 0.000 0.935 366 K HN 0.509 nan 8.250 nan 0.000 0.475 367 K N 1.087 121.504 120.400 0.027 0.000 2.495 367 K HA 0.291 4.610 4.320 -0.001 0.000 0.268 367 K C -1.017 175.579 176.600 -0.007 0.000 1.008 367 K CA -0.942 55.353 56.287 0.013 0.000 0.882 367 K CB 1.873 34.381 32.500 0.015 0.000 1.443 367 K HN 0.036 nan 8.250 nan 0.000 0.447 368 K N 1.504 121.888 120.400 -0.028 0.000 2.266 368 K HA 0.471 4.791 4.320 -0.001 0.000 0.274 368 K C 0.000 176.544 176.600 -0.094 0.000 1.090 368 K CA -0.332 55.915 56.287 -0.068 0.000 0.925 368 K CB -0.337 32.120 32.500 -0.071 0.000 1.225 368 K HN 0.403 nan 8.250 nan 0.000 0.458 369 I N 4.615 125.117 120.570 -0.113 0.000 2.328 369 I HA 0.275 4.444 4.170 -0.001 0.000 0.287 369 I C -2.361 173.624 176.117 -0.221 0.000 1.012 369 I CA -2.826 58.406 61.300 -0.113 0.000 1.195 369 I CB 1.897 39.869 38.000 -0.047 0.000 1.350 369 I HN 0.295 nan 8.210 nan 0.000 0.464 370 P HA 0.056 nan 4.420 nan 0.000 0.265 370 P C -0.476 176.676 177.300 -0.247 0.000 1.222 370 P CA 0.362 63.206 63.100 -0.427 0.000 0.767 370 P CB 0.513 32.151 31.700 -0.104 0.000 0.801 371 S N 2.673 118.116 115.700 -0.427 0.000 2.755 371 S HA 0.408 4.878 4.470 -0.001 0.000 0.286 371 S C -0.853 173.780 174.600 0.054 0.000 1.207 371 S CA -1.030 57.164 58.200 -0.009 0.000 0.892 371 S CB 0.428 63.644 63.200 0.027 0.000 1.240 371 S HN 0.120 nan 8.310 nan 0.000 0.525 372 L N 2.587 123.898 121.223 0.147 0.000 2.410 372 L HA 0.288 4.628 4.340 -0.001 0.000 0.273 372 L C 0.748 177.701 176.870 0.140 0.000 1.152 372 L CA -0.338 54.581 54.840 0.131 0.000 0.855 372 L CB 0.239 42.329 42.059 0.051 0.000 1.129 372 L HN 0.716 nan 8.230 nan 0.000 0.463 373 N N 3.391 122.103 118.700 0.020 0.000 2.475 373 N HA 0.035 4.774 4.740 -0.001 0.000 0.267 373 N C 0.967 176.417 175.510 -0.101 0.000 1.169 373 N CA -0.223 52.656 53.050 -0.286 0.000 0.947 373 N CB 1.118 39.309 38.487 -0.494 0.000 1.061 373 N HN 0.581 nan 8.380 nan 0.000 0.466 374 L N 3.147 124.324 121.223 -0.078 0.000 2.083 374 L HA -0.186 4.154 4.340 -0.001 0.000 0.209 374 L C 2.678 179.545 176.870 -0.005 0.000 1.083 374 L CA 1.882 56.721 54.840 -0.001 0.000 0.752 374 L CB -0.786 41.276 42.059 0.004 0.000 0.899 374 L HN 0.679 nan 8.230 nan 0.000 0.433 375 E N 0.551 120.713 120.200 -0.062 0.000 2.051 375 E HA -0.152 4.197 4.350 -0.001 0.000 0.189 375 E C 1.999 178.585 176.600 -0.023 0.000 0.979 375 E CA 1.424 57.797 56.400 -0.044 0.000 0.803 375 E CB -1.346 28.309 29.700 -0.074 0.000 0.761 375 E HN 0.671 nan 8.360 nan 0.000 0.451 376 N N -0.591 118.075 118.700 -0.057 0.000 2.197 376 N HA 0.302 5.041 4.740 -0.001 0.000 0.184 376 N C 2.137 177.663 175.510 0.027 0.000 1.030 376 N CA 1.856 54.888 53.050 -0.030 0.000 0.851 376 N CB -0.139 38.302 38.487 -0.077 0.000 1.003 376 N HN 1.395 nan 8.380 nan 0.000 0.430 377 G N -1.354 107.453 108.800 0.012 0.000 2.148 377 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.203 377 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.203 377 G C -0.575 174.244 174.900 -0.135 0.000 0.993 377 G CA 0.286 45.370 45.100 -0.026 0.000 0.661 377 G HN 0.581 nan 8.290 nan 0.000 0.518 378 E N -0.490 119.679 120.200 -0.053 0.000 2.202 378 E HA 0.559 4.909 4.350 -0.001 0.000 0.272 378 E C -0.411 176.250 176.600 0.102 0.000 0.951 378 E CA -1.125 55.277 56.400 0.003 0.000 0.813 378 E CB 1.497 31.200 29.700 0.004 0.000 1.151 378 E HN 0.141 nan 8.360 nan 0.000 0.398 379 F N 3.901 123.856 119.950 0.009 0.000 2.538 379 F HA 0.122 4.648 4.527 -0.001 0.000 0.371 379 F C -0.330 175.573 175.800 0.172 0.000 1.087 379 F CA 0.119 58.163 58.000 0.072 0.000 1.250 379 F CB 0.047 39.047 39.000 -0.001 0.000 1.110 379 F HN 0.355 nan 8.300 nan 0.000 0.570 380 Y N 2.838 122.737 120.300 -0.668 0.000 2.597 380 Y HA 0.579 5.129 4.550 -0.001 0.000 0.340 380 Y C -1.651 173.895 175.900 -0.591 0.000 1.097 380 Y CA -1.612 56.216 58.100 -0.453 0.000 1.037 380 Y CB 1.234 39.562 38.460 -0.219 0.000 1.305 380 Y HN 0.391 nan 8.280 nan 0.000 0.463 381 K N 4.592 124.649 120.400 -0.571 0.000 2.347 381 K HA 0.331 4.650 4.320 -0.001 0.000 0.262 381 K C -2.674 173.621 176.600 -0.508 0.000 1.052 381 K CA -1.856 54.096 56.287 -0.557 0.000 0.946 381 K CB 1.073 33.423 32.500 -0.249 0.000 1.220 381 K HN 0.490 nan 8.250 nan 0.000 0.450 382 P HA -0.028 nan 4.420 nan 0.000 0.266 382 P C -0.119 177.096 177.300 -0.141 0.000 1.195 382 P CA 0.076 62.952 63.100 -0.372 0.000 0.768 382 P CB 1.071 32.547 31.700 -0.373 0.000 0.838 383 T N -0.842 113.691 114.554 -0.035 0.000 3.037 383 T HA 0.162 4.512 4.350 -0.001 0.000 0.251 383 T C 0.773 175.469 174.700 -0.008 0.000 1.079 383 T CA 1.068 63.158 62.100 -0.017 0.000 1.067 383 T CB 0.150 69.023 68.868 0.010 0.000 0.948 383 T HN 0.724 nan 8.240 nan 0.000 0.496 384 E N 1.673 121.874 120.200 0.002 0.000 2.392 384 E HA 0.636 4.985 4.350 -0.001 0.000 0.269 384 E C -3.203 173.399 176.600 0.004 0.000 0.924 384 E CA -2.663 53.742 56.400 0.009 0.000 0.784 384 E CB 0.125 29.839 29.700 0.023 0.000 1.292 384 E HN -0.010 nan 8.360 nan 0.000 0.447 385 P HA 0.097 nan 4.420 nan 0.000 0.265 385 P C -0.222 177.091 177.300 0.022 0.000 1.187 385 P CA 0.421 63.527 63.100 0.011 0.000 0.766 385 P CB 0.496 32.208 31.700 0.021 0.000 0.820 386 N N 0.902 119.613 118.700 0.019 0.000 2.116 386 N HA 0.221 4.960 4.740 -0.001 0.000 0.230 386 N C 0.121 175.662 175.510 0.051 0.000 1.326 386 N CA -0.150 52.926 53.050 0.044 0.000 0.867 386 N CB 0.823 39.343 38.487 0.056 0.000 1.174 386 N HN 0.480 nan 8.380 nan 0.000 0.506 387 G N 0.716 109.543 108.800 0.046 0.000 2.451 387 G HA2 0.478 4.437 3.960 -0.001 0.000 0.292 387 G HA3 0.478 4.437 3.960 -0.001 0.000 0.292 387 G C -1.814 173.127 174.900 0.069 0.000 1.427 387 G CA -0.897 44.244 45.100 0.069 0.000 0.792 387 G HN 0.293 nan 8.290 nan 0.000 0.498 388 I N -2.090 118.541 120.570 0.101 0.000 2.569 388 I HA 0.765 4.934 4.170 -0.001 0.000 0.296 388 I C -0.592 175.580 176.117 0.091 0.000 1.028 388 I CA -1.111 60.237 61.300 0.079 0.000 1.082 388 I CB 2.357 40.391 38.000 0.056 0.000 1.264 388 I HN 0.250 nan 8.210 nan 0.000 0.429 389 K N 5.548 125.978 120.400 0.050 0.000 2.123 389 K HA 0.682 5.001 4.320 -0.001 0.000 0.259 389 K C -1.156 175.430 176.600 -0.023 0.000 0.960 389 K CA -0.769 55.537 56.287 0.032 0.000 0.872 389 K CB 2.470 34.986 32.500 0.027 0.000 1.079 389 K HN 0.553 nan 8.250 nan 0.000 0.440 390 L N 1.793 122.959 121.223 -0.095 0.000 2.325 390 L HA 0.457 4.796 4.340 -0.001 0.000 0.278 390 L C -0.189 176.557 176.870 -0.206 0.000 1.023 390 L CA -0.529 54.159 54.840 -0.253 0.000 0.811 390 L CB 1.465 43.168 42.059 -0.594 0.000 1.249 390 L HN 0.551 nan 8.230 nan 0.000 0.431 391 E N 1.969 122.070 120.200 -0.165 0.000 2.343 391 E HA 0.336 4.686 4.350 -0.001 0.000 0.278 391 E C -1.584 174.986 176.600 -0.050 0.000 0.910 391 E CA -0.798 55.571 56.400 -0.052 0.000 0.757 391 E CB 2.880 32.643 29.700 0.105 0.000 1.218 391 E HN 0.511 nan 8.360 nan 0.000 0.435 392 Q N 1.607 121.436 119.800 0.047 0.000 2.256 392 Q HA 0.422 4.761 4.340 -0.001 0.000 0.257 392 Q C -1.021 175.058 176.000 0.130 0.000 0.936 392 Q CA -0.683 55.173 55.803 0.087 0.000 0.903 392 Q CB 1.342 30.176 28.738 0.161 0.000 1.263 392 Q HN 0.272 nan 8.270 nan 0.000 0.440 393 F N 1.635 121.527 119.950 -0.097 0.000 2.408 393 F HA 0.228 4.755 4.527 -0.001 0.000 0.344 393 F C 1.147 176.645 175.800 -0.503 0.000 1.112 393 F CA -1.548 56.148 58.000 -0.506 0.000 1.096 393 F CB 0.577 38.968 39.000 -1.014 0.000 1.129 393 F HN 0.597 nan 8.300 nan 0.000 0.486 394 I N 3.170 123.566 120.570 -0.291 0.000 2.248 394 I HA -0.304 3.865 4.170 -0.001 0.000 0.248 394 I C 1.915 177.932 176.117 -0.168 0.000 1.107 394 I CA 1.820 63.040 61.300 -0.133 0.000 1.373 394 I CB -0.335 37.649 38.000 -0.027 0.000 1.055 394 I HN 0.514 nan 8.210 nan 0.000 0.418 395 F N -1.058 118.707 119.950 -0.308 0.000 2.811 395 F HA 0.200 4.727 4.527 -0.001 0.000 0.301 395 F C 1.573 176.992 175.800 -0.636 0.000 1.151 395 F CA -0.168 57.212 58.000 -1.034 0.000 1.412 395 F CB -1.554 36.681 39.000 -1.275 0.000 1.113 395 F HN -0.007 nan 8.300 nan 0.000 0.579 396 D N 1.233 121.569 120.400 -0.106 0.000 2.378 396 D HA -0.084 4.556 4.640 -0.001 0.000 0.222 396 D C 2.380 178.680 176.300 -0.001 0.000 0.980 396 D CA 1.287 55.324 54.000 0.061 0.000 0.907 396 D CB 0.090 40.943 40.800 0.088 0.000 0.899 396 D HN 0.446 nan 8.370 nan 0.000 0.527 397 V N -2.710 117.110 119.914 -0.157 0.000 3.506 397 V HA 0.013 4.133 4.120 -0.001 0.000 0.263 397 V C 1.964 178.118 176.094 0.099 0.000 1.203 397 V CA 0.147 62.218 62.300 -0.380 0.000 1.133 397 V CB -0.744 30.119 31.823 -1.601 0.000 0.802 397 V HN -0.154 nan 8.190 nan 0.000 0.459 398 F N 2.320 122.276 119.950 0.010 0.000 2.091 398 F HA 0.023 4.550 4.527 -0.001 0.000 0.299 398 F C 0.132 175.965 175.800 0.055 0.000 1.103 398 F CA 1.225 59.272 58.000 0.078 0.000 1.228 398 F CB -2.441 36.578 39.000 0.032 0.000 0.984 398 F HN 0.328 nan 8.300 nan 0.000 0.477 399 P HA -0.043 nan 4.420 nan 0.000 0.244 399 P C 0.983 178.421 177.300 0.229 0.000 1.211 399 P CA 1.216 64.413 63.100 0.162 0.000 0.760 399 P CB -0.425 31.355 31.700 0.133 0.000 0.961 400 S N -2.245 113.657 115.700 0.337 0.000 2.556 400 S HA 0.106 4.575 4.470 -0.001 0.000 0.216 400 S C 0.674 175.536 174.600 0.437 0.000 0.970 400 S CA -0.376 58.077 58.200 0.422 0.000 0.912 400 S CB -0.580 62.959 63.200 0.564 0.000 0.790 400 S HN -0.006 nan 8.310 nan 0.000 0.504 401 V N 2.105 122.249 119.914 0.384 0.000 2.904 401 V HA 0.386 4.506 4.120 -0.001 0.000 0.305 401 V C -0.486 175.703 176.094 0.159 0.000 1.067 401 V CA -0.711 61.774 62.300 0.309 0.000 1.044 401 V CB 1.442 33.366 31.823 0.168 0.000 1.050 401 V HN 0.343 nan 8.190 nan 0.000 0.475 402 E N 3.565 123.831 120.200 0.109 0.000 2.259 402 E HA 0.097 4.446 4.350 -0.001 0.000 0.281 402 E C 0.669 177.303 176.600 0.056 0.000 1.037 402 E CA -0.226 56.222 56.400 0.081 0.000 0.854 402 E CB 1.328 31.072 29.700 0.073 0.000 1.051 402 E HN 0.654 nan 8.360 nan 0.000 0.409 403 L N 4.535 125.782 121.223 0.040 0.000 2.051 403 L HA -0.277 4.063 4.340 -0.001 0.000 0.214 403 L C 1.459 178.371 176.870 0.069 0.000 1.076 403 L CA 2.095 56.949 54.840 0.024 0.000 0.758 403 L CB -0.478 41.591 42.059 0.017 0.000 0.890 403 L HN 0.553 nan 8.230 nan 0.000 0.433 404 N N -1.595 117.152 118.700 0.079 0.000 2.521 404 N HA -0.120 4.619 4.740 -0.001 0.000 0.188 404 N C 0.899 176.509 175.510 0.167 0.000 1.146 404 N CA 0.565 53.683 53.050 0.114 0.000 0.893 404 N CB -0.212 38.326 38.487 0.084 0.000 0.975 404 N HN 0.359 nan 8.380 nan 0.000 0.451 405 K N -0.115 120.363 120.400 0.130 0.000 2.438 405 K HA 0.168 4.488 4.320 -0.001 0.000 0.205 405 K C -0.874 175.749 176.600 0.038 0.000 1.033 405 K CA -0.352 56.030 56.287 0.157 0.000 1.089 405 K CB 0.199 32.705 32.500 0.011 0.000 0.857 405 K HN 0.185 nan 8.250 nan 0.000 0.522 406 F N 0.495 120.246 119.950 -0.333 0.000 2.458 406 F HA 0.587 5.114 4.527 -0.001 0.000 0.336 406 F C 0.075 175.173 175.800 -1.170 0.000 1.114 406 F CA -0.757 56.870 58.000 -0.622 0.000 0.987 406 F CB 1.575 40.353 39.000 -0.369 0.000 1.130 406 F HN -0.029 nan 8.300 nan 0.000 0.458 407 G N 3.736 111.321 108.800 -2.025 0.000 2.495 407 G HA2 0.489 4.449 3.960 -0.001 0.000 0.318 407 G HA3 0.489 4.449 3.960 -0.001 0.000 0.318 407 G C -2.055 172.392 174.900 -0.756 0.000 1.257 407 G CA -0.681 43.489 45.100 -1.549 0.000 0.962 407 G HN 0.868 nan 8.290 nan 0.000 0.483 408 C N 4.144 123.333 119.300 -0.185 0.000 2.321 408 C HA 0.644 5.104 4.460 -0.001 0.000 0.323 408 C C -0.449 174.502 174.990 -0.065 0.000 1.191 408 C CA -0.892 58.076 59.018 -0.085 0.000 1.455 408 C CB -0.505 27.277 27.740 0.070 0.000 2.083 408 C HN 0.694 nan 8.230 nan 0.000 0.442 409 L N 5.633 126.740 121.223 -0.194 0.000 2.257 409 L HA 0.511 4.851 4.340 -0.001 0.000 0.290 409 L C 0.221 176.934 176.870 -0.262 0.000 1.044 409 L CA 0.533 55.131 54.840 -0.403 0.000 0.810 409 L CB 0.839 42.494 42.059 -0.674 0.000 1.193 409 L HN 0.776 nan 8.230 nan 0.000 0.425 410 E N 4.449 124.536 120.200 -0.187 0.000 2.283 410 E HA 0.538 4.887 4.350 -0.001 0.000 0.278 410 E C -1.087 175.426 176.600 -0.144 0.000 1.027 410 E CA -0.603 55.711 56.400 -0.143 0.000 0.843 410 E CB 1.228 30.872 29.700 -0.092 0.000 1.062 410 E HN 0.565 nan 8.360 nan 0.000 0.401 411 V N 0.774 120.604 119.914 -0.140 0.000 3.126 411 V HA 0.428 4.548 4.120 -0.001 0.000 0.314 411 V C -0.474 175.571 176.094 -0.081 0.000 1.138 411 V CA -1.172 61.060 62.300 -0.113 0.000 1.034 411 V CB 1.784 33.526 31.823 -0.135 0.000 1.075 411 V HN 0.644 nan 8.190 nan 0.000 0.442 412 D N 0.879 121.245 120.400 -0.057 0.000 2.325 412 D HA 0.231 4.871 4.640 -0.001 0.000 0.251 412 D C 1.146 177.422 176.300 -0.039 0.000 1.196 412 D CA 0.082 54.055 54.000 -0.045 0.000 0.866 412 D CB 1.266 42.045 40.800 -0.034 0.000 1.101 412 D HN 0.731 nan 8.370 nan 0.000 0.476 413 R N 3.417 123.897 120.500 -0.033 0.000 2.103 413 R HA -0.181 4.159 4.340 -0.001 0.000 0.242 413 R C 1.511 177.770 176.300 -0.068 0.000 1.142 413 R CA 1.114 57.215 56.100 0.002 0.000 0.960 413 R CB -0.068 30.245 30.300 0.022 0.000 0.858 413 R HN 0.403 nan 8.270 nan 0.000 0.439 414 L N 1.021 122.172 121.223 -0.120 0.000 2.261 414 L HA -0.158 4.182 4.340 -0.001 0.000 0.216 414 L C 1.643 178.416 176.870 -0.162 0.000 1.114 414 L CA 1.644 56.372 54.840 -0.186 0.000 0.777 414 L CB -0.315 41.650 42.059 -0.158 0.000 0.910 414 L HN 0.188 nan 8.230 nan 0.000 0.440 415 D N -1.292 119.054 120.400 -0.090 0.000 2.388 415 D HA 0.034 4.674 4.640 -0.001 0.000 0.208 415 D C 1.294 177.569 176.300 -0.041 0.000 1.035 415 D CA 0.493 54.460 54.000 -0.056 0.000 0.875 415 D CB 0.566 41.386 40.800 0.034 0.000 0.984 415 D HN 0.433 nan 8.370 nan 0.000 0.508 416 E N -0.853 119.336 120.200 -0.018 0.000 2.676 416 E HA 0.102 4.451 4.350 -0.001 0.000 0.225 416 E C -0.607 176.071 176.600 0.130 0.000 0.944 416 E CA -0.240 56.171 56.400 0.018 0.000 1.156 416 E CB 1.610 31.308 29.700 -0.004 0.000 1.117 416 E HN -0.042 nan 8.360 nan 0.000 0.523 417 F N 1.361 121.262 119.950 -0.081 0.000 2.730 417 F HA 0.402 4.929 4.527 -0.001 0.000 0.335 417 F C -1.338 174.443 175.800 -0.031 0.000 1.212 417 F CA -0.749 57.221 58.000 -0.050 0.000 1.016 417 F CB 2.049 41.015 39.000 -0.057 0.000 1.290 417 F HN -0.240 nan 8.300 nan 0.000 0.495 418 S N 8.306 123.719 115.700 -0.479 0.000 2.385 418 S HA 0.432 4.902 4.470 -0.001 0.000 0.191 418 S C -3.197 171.164 174.600 -0.399 0.000 1.196 418 S CA -0.907 57.065 58.200 -0.380 0.000 1.178 418 S CB 0.845 64.061 63.200 0.027 0.000 1.258 418 S HN 0.409 nan 8.310 nan 0.000 0.430 419 P HA 0.303 nan 4.420 nan 0.000 0.284 419 P C -0.666 176.496 177.300 -0.230 0.000 1.253 419 P CA -0.749 62.145 63.100 -0.343 0.000 0.800 419 P CB 0.939 32.444 31.700 -0.325 0.000 0.961 420 L N 4.074 125.190 121.223 -0.178 0.000 2.302 420 L HA 0.228 4.567 4.340 -0.001 0.000 0.285 420 L C 0.860 177.608 176.870 -0.203 0.000 1.090 420 L CA 0.615 55.326 54.840 -0.215 0.000 0.866 420 L CB -0.207 41.703 42.059 -0.250 0.000 1.244 420 L HN 0.234 nan 8.230 nan 0.000 0.435 421 K N 2.429 122.717 120.400 -0.186 0.000 2.403 421 K HA 0.344 4.664 4.320 -0.001 0.000 0.199 421 K C -0.055 176.454 176.600 -0.151 0.000 1.199 421 K CA 0.192 56.391 56.287 -0.147 0.000 0.924 421 K CB 0.473 32.905 32.500 -0.113 0.000 1.137 421 K HN 0.519 nan 8.250 nan 0.000 0.510 422 N N 0.458 119.061 118.700 -0.161 0.000 2.381 422 N HA 0.389 5.128 4.740 -0.001 0.000 0.294 422 N C -0.804 174.610 175.510 -0.160 0.000 1.216 422 N CA -0.438 52.529 53.050 -0.139 0.000 0.803 422 N CB 1.759 40.183 38.487 -0.105 0.000 1.372 422 N HN -0.032 nan 8.380 nan 0.000 0.500 423 A N 0.118 122.865 122.820 -0.121 0.000 2.366 423 A HA 0.166 4.486 4.320 -0.001 0.000 0.249 423 A C 0.108 177.644 177.584 -0.080 0.000 1.084 423 A CA -0.206 51.771 52.037 -0.100 0.000 0.794 423 A CB 0.022 18.987 19.000 -0.058 0.000 1.034 423 A HN 0.558 nan 8.150 nan 0.000 0.491 424 D N -0.591 119.774 120.400 -0.057 0.000 2.390 424 D HA 0.359 4.999 4.640 -0.001 0.000 0.236 424 D C 1.322 177.597 176.300 -0.043 0.000 1.189 424 D CA 2.032 56.003 54.000 -0.049 0.000 0.887 424 D CB 0.847 41.631 40.800 -0.027 0.000 1.198 424 D HN 1.046 nan 8.370 nan 0.000 0.444 425 G N -0.010 108.764 108.800 -0.043 0.000 2.284 425 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.216 425 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.216 425 G C 0.426 175.301 174.900 -0.041 0.000 1.009 425 G CA 0.342 45.420 45.100 -0.036 0.000 0.625 425 G HN 0.843 nan 8.290 nan 0.000 0.501 426 A N 0.480 123.269 122.820 -0.052 0.000 2.332 426 A HA 0.726 5.045 4.320 -0.001 0.000 0.258 426 A C 1.303 178.853 177.584 -0.057 0.000 1.087 426 A CA 1.180 53.185 52.037 -0.054 0.000 0.802 426 A CB 0.663 19.623 19.000 -0.067 0.000 1.042 426 A HN 0.456 nan 8.150 nan 0.000 0.489 427 K N 0.455 120.824 120.400 -0.052 0.000 1.984 427 K HA -0.099 4.221 4.320 -0.001 0.000 0.209 427 K C 0.186 176.748 176.600 -0.062 0.000 1.046 427 K CA 1.587 57.845 56.287 -0.049 0.000 0.934 427 K CB -0.170 32.307 32.500 -0.038 0.000 0.717 427 K HN 0.840 nan 8.250 nan 0.000 0.438 428 N N 0.105 118.764 118.700 -0.067 0.000 2.471 428 N HA 0.107 4.847 4.740 -0.001 0.000 0.288 428 N C -1.492 173.954 175.510 -0.106 0.000 1.220 428 N CA -0.571 52.431 53.050 -0.079 0.000 0.893 428 N CB 1.301 39.753 38.487 -0.059 0.000 1.256 428 N HN 0.055 nan 8.380 nan 0.000 0.534 429 D N -0.043 120.280 120.400 -0.128 0.000 2.735 429 D HA -0.148 4.491 4.640 -0.001 0.000 0.235 429 D C -0.527 175.672 176.300 -0.169 0.000 1.175 429 D CA 0.941 54.845 54.000 -0.160 0.000 0.683 429 D CB -1.603 39.104 40.800 -0.155 0.000 1.008 429 D HN 0.619 nan 8.370 nan 0.000 0.416 430 T N -4.605 109.845 114.554 -0.173 0.000 2.910 430 T HA 0.597 4.946 4.350 -0.001 0.000 0.287 430 T C -2.169 172.428 174.700 -0.172 0.000 1.050 430 T CA -1.781 60.217 62.100 -0.171 0.000 1.011 430 T CB 2.768 71.558 68.868 -0.131 0.000 1.195 430 T HN -0.340 nan 8.240 nan 0.000 0.540 431 P HA -0.041 nan 4.420 nan 0.000 0.218 431 P C 1.502 178.763 177.300 -0.064 0.000 1.148 431 P CA 1.202 64.262 63.100 -0.066 0.000 0.822 431 P CB -0.232 31.517 31.700 0.082 0.000 0.784 432 T N -0.905 113.599 114.554 -0.083 0.000 2.701 432 T HA -0.144 4.205 4.350 -0.001 0.000 0.263 432 T C 1.877 176.477 174.700 -0.168 0.000 1.040 432 T CA 2.351 64.392 62.100 -0.098 0.000 1.147 432 T CB -1.348 67.468 68.868 -0.087 0.000 0.865 432 T HN 0.320 nan 8.240 nan 0.000 0.426 433 T N 0.058 114.473 114.554 -0.232 0.000 2.867 433 T HA -0.109 4.241 4.350 -0.001 0.000 0.268 433 T C 2.260 176.666 174.700 -0.490 0.000 1.057 433 T CA 1.156 62.995 62.100 -0.435 0.000 1.136 433 T CB -1.237 67.368 68.868 -0.438 0.000 0.874 433 T HN 0.410 nan 8.240 nan 0.000 0.466 434 C N 1.188 120.335 119.300 -0.254 0.000 2.432 434 C HA 0.097 4.556 4.460 -0.001 0.000 0.277 434 C C 3.015 177.970 174.990 -0.058 0.000 1.249 434 C CA 0.839 59.780 59.018 -0.127 0.000 1.725 434 C CB -1.137 26.549 27.740 -0.091 0.000 2.028 434 C HN 0.658 nan 8.230 nan 0.000 0.477 435 R N 1.305 121.756 120.500 -0.081 0.000 2.080 435 R HA -0.143 4.197 4.340 -0.001 0.000 0.236 435 R C 2.009 178.296 176.300 -0.021 0.000 1.137 435 R CA 2.023 58.091 56.100 -0.052 0.000 0.943 435 R CB -0.366 29.897 30.300 -0.062 0.000 0.846 435 R HN 0.512 nan 8.270 nan 0.000 0.431 436 N N 0.208 118.858 118.700 -0.084 0.000 2.043 436 N HA -0.182 4.558 4.740 -0.001 0.000 0.193 436 N C 1.704 177.223 175.510 0.014 0.000 1.037 436 N CA 1.817 54.829 53.050 -0.063 0.000 0.851 436 N CB -0.773 37.645 38.487 -0.116 0.000 1.027 436 N HN 0.525 nan 8.380 nan 0.000 0.422 437 H N -1.279 117.762 119.070 -0.048 0.000 2.352 437 H HA -0.161 4.395 4.556 -0.001 0.000 0.299 437 H C 1.785 177.054 175.328 -0.097 0.000 1.097 437 H CA 1.314 57.313 56.048 -0.082 0.000 1.311 437 H CB -0.135 29.572 29.762 -0.092 0.000 1.377 437 H HN 0.270 nan 8.280 nan 0.000 0.504 438 Y N 1.371 121.652 120.300 -0.033 0.000 2.097 438 Y HA -0.249 4.301 4.550 -0.001 0.000 0.282 438 Y C 2.333 178.126 175.900 -0.178 0.000 1.152 438 Y CA 1.375 59.404 58.100 -0.119 0.000 1.136 438 Y CB -0.256 38.150 38.460 -0.090 0.000 0.975 438 Y HN 0.056 nan 8.280 nan 0.000 0.498 439 L N -0.196 121.101 121.223 0.123 0.000 2.131 439 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 439 L C 2.215 179.019 176.870 -0.111 0.000 1.092 439 L CA 1.588 56.437 54.840 0.015 0.000 0.759 439 L CB -0.499 41.572 42.059 0.021 0.000 0.903 439 L HN 0.318 nan 8.230 nan 0.000 0.435 440 E N -0.271 119.863 120.200 -0.109 0.000 2.106 440 E HA -0.214 4.136 4.350 -0.001 0.000 0.192 440 E C 2.279 178.708 176.600 -0.285 0.000 0.984 440 E CA 0.690 57.003 56.400 -0.145 0.000 0.806 440 E CB -0.015 29.640 29.700 -0.076 0.000 0.750 440 E HN 0.295 nan 8.360 nan 0.000 0.458 441 R N 0.528 120.778 120.500 -0.417 0.000 2.081 441 R HA -0.105 4.234 4.340 -0.001 0.000 0.235 441 R C 2.282 177.912 176.300 -1.116 0.000 1.131 441 R CA 1.526 57.185 56.100 -0.735 0.000 0.960 441 R CB -0.069 29.743 30.300 -0.814 0.000 0.856 441 R HN 0.008 nan 8.270 nan 0.000 0.436 442 S N 0.139 115.320 115.700 -0.866 0.000 2.359 442 S HA -0.112 4.358 4.470 -0.001 0.000 0.224 442 S C 1.928 176.329 174.600 -0.332 0.000 1.035 442 S CA 1.735 59.555 58.200 -0.634 0.000 1.018 442 S CB -0.099 62.917 63.200 -0.307 0.000 0.876 442 S HN 0.396 nan 8.310 nan 0.000 0.448 443 S N 0.984 116.528 115.700 -0.259 0.000 2.383 443 S HA -0.036 4.434 4.470 -0.001 0.000 0.227 443 S C 1.841 176.368 174.600 -0.122 0.000 1.026 443 S CA 0.805 58.914 58.200 -0.153 0.000 0.981 443 S CB -0.190 62.944 63.200 -0.110 0.000 0.818 443 S HN 0.436 nan 8.310 nan 0.000 0.472 444 K N 0.168 120.459 120.400 -0.182 0.000 2.057 444 K HA -0.155 4.165 4.320 -0.001 0.000 0.207 444 K C 1.729 178.349 176.600 0.033 0.000 1.049 444 K CA 1.359 57.585 56.287 -0.102 0.000 0.931 444 K CB -0.203 32.204 32.500 -0.155 0.000 0.714 444 K HN 0.371 nan 8.250 nan 0.000 0.440 445 W N 1.002 122.241 121.300 -0.101 0.000 2.338 445 W HA -0.142 4.518 4.660 -0.001 0.000 0.304 445 W C 2.196 178.644 176.519 -0.118 0.000 1.212 445 W CA 0.406 57.688 57.345 -0.105 0.000 1.264 445 W CB -1.121 28.270 29.460 -0.115 0.000 1.142 445 W HN -0.079 nan 8.180 nan 0.000 0.512 446 V N 0.549 120.521 119.914 0.097 0.000 2.295 446 V HA -0.292 3.827 4.120 -0.001 0.000 0.246 446 V C 2.174 178.267 176.094 -0.001 0.000 1.049 446 V CA 1.682 63.966 62.300 -0.027 0.000 1.024 446 V CB -0.874 30.858 31.823 -0.153 0.000 0.648 446 V HN 0.043 nan 8.190 nan 0.000 0.447 447 I N -0.364 120.210 120.570 0.006 0.000 2.226 447 I HA -0.273 3.897 4.170 -0.001 0.000 0.245 447 I C 2.778 178.899 176.117 0.007 0.000 1.100 447 I CA 1.335 62.637 61.300 0.004 0.000 1.374 447 I CB -0.585 37.412 38.000 -0.005 0.000 1.057 447 I HN 0.269 nan 8.210 nan 0.000 0.413 448 Q N 0.028 119.843 119.800 0.026 0.000 2.297 448 Q HA -0.133 4.207 4.340 -0.001 0.000 0.208 448 Q C 1.505 177.507 176.000 0.003 0.000 0.981 448 Q CA 0.998 56.815 55.803 0.023 0.000 0.876 448 Q CB -0.675 28.096 28.738 0.055 0.000 0.921 448 Q HN 0.580 nan 8.270 nan 0.000 0.446 449 N N -1.216 117.480 118.700 -0.007 0.000 2.251 449 N HA 0.186 4.926 4.740 -0.001 0.000 0.217 449 N C 0.862 176.354 175.510 -0.030 0.000 1.124 449 N CA 0.710 53.740 53.050 -0.033 0.000 0.843 449 N CB 1.200 39.644 38.487 -0.072 0.000 1.024 449 N HN 0.518 nan 8.380 nan 0.000 0.501 450 G N 0.133 108.924 108.800 -0.015 0.000 2.176 450 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.253 450 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.253 450 G C 0.497 175.390 174.900 -0.013 0.000 0.979 450 G CA 0.026 45.117 45.100 -0.015 0.000 0.641 450 G HN 0.516 nan 8.290 nan 0.000 0.530 451 G N -0.901 107.910 108.800 0.019 0.000 2.503 451 G HA2 0.599 4.558 3.960 -0.001 0.000 0.257 451 G HA3 0.599 4.558 3.960 -0.001 0.000 0.257 451 G C -0.202 174.710 174.900 0.020 0.000 1.214 451 G CA 0.272 45.427 45.100 0.093 0.000 0.839 451 G HN 1.027 nan 8.290 nan 0.000 0.559 452 V N 2.286 122.157 119.914 -0.072 0.000 2.448 452 V HA 0.380 4.500 4.120 -0.001 0.000 0.295 452 V C -0.073 176.006 176.094 -0.026 0.000 1.025 452 V CA -0.512 61.683 62.300 -0.174 0.000 0.859 452 V CB 1.430 32.912 31.823 -0.569 0.000 0.988 452 V HN 0.585 nan 8.190 nan 0.000 0.431 453 I N 3.925 124.523 120.570 0.046 0.000 2.330 453 I HA 0.371 4.541 4.170 -0.001 0.000 0.289 453 I C -0.318 175.837 176.117 0.063 0.000 1.001 453 I CA -0.583 60.783 61.300 0.109 0.000 1.193 453 I CB 1.403 39.457 38.000 0.090 0.000 1.345 453 I HN 0.518 nan 8.210 nan 0.000 0.461 454 D N 6.648 127.098 120.400 0.084 0.000 2.382 454 D HA 0.044 4.683 4.640 -0.001 0.000 0.245 454 D C 0.348 176.678 176.300 0.050 0.000 1.120 454 D CA 0.325 54.367 54.000 0.071 0.000 0.890 454 D CB 0.440 41.292 40.800 0.087 0.000 1.201 454 D HN 0.487 nan 8.370 nan 0.000 0.433 455 N N 2.456 121.179 118.700 0.038 0.000 2.738 455 N HA -0.206 4.534 4.740 -0.001 0.000 0.249 455 N C -0.477 175.045 175.510 0.020 0.000 1.047 455 N CA 0.358 53.424 53.050 0.026 0.000 0.707 455 N CB -0.625 37.878 38.487 0.026 0.000 0.937 455 N HN 0.476 nan 8.380 nan 0.000 0.545 456 Q N -3.533 116.277 119.800 0.017 0.000 2.437 456 Q HA -0.200 4.139 4.340 -0.001 0.000 0.274 456 Q C 0.985 176.991 176.000 0.010 0.000 1.165 456 Q CA 1.648 57.457 55.803 0.009 0.000 0.925 456 Q CB -2.058 26.682 28.738 0.003 0.000 1.327 456 Q HN 0.717 nan 8.270 nan 0.000 0.505 457 G N -0.099 108.714 108.800 0.021 0.000 2.684 457 G HA2 0.468 4.428 3.960 -0.001 0.000 0.255 457 G HA3 0.468 4.428 3.960 -0.001 0.000 0.255 457 G C -0.048 174.859 174.900 0.011 0.000 1.219 457 G CA -0.632 44.482 45.100 0.022 0.000 0.901 457 G HN 0.164 nan 8.290 nan 0.000 0.548 458 L N 0.163 121.389 121.223 0.006 0.000 2.341 458 L HA 0.511 4.851 4.340 -0.001 0.000 0.278 458 L C 0.174 177.039 176.870 -0.009 0.000 1.005 458 L CA -1.041 53.792 54.840 -0.011 0.000 0.818 458 L CB 1.936 43.986 42.059 -0.016 0.000 1.259 458 L HN 0.466 nan 8.230 nan 0.000 0.418 459 V N -0.268 119.624 119.914 -0.036 0.000 2.994 459 V HA 0.628 4.747 4.120 -0.001 0.000 0.318 459 V C -0.563 175.504 176.094 -0.045 0.000 1.085 459 V CA -0.744 61.526 62.300 -0.049 0.000 0.998 459 V CB 1.995 33.735 31.823 -0.138 0.000 1.063 459 V HN 0.864 nan 8.190 nan 0.000 0.447 460 E N 1.010 121.200 120.200 -0.016 0.000 2.199 460 E HA 0.647 4.997 4.350 -0.001 0.000 0.269 460 E C -1.795 174.831 176.600 0.042 0.000 0.899 460 E CA -0.771 55.656 56.400 0.046 0.000 0.772 460 E CB 2.312 32.059 29.700 0.078 0.000 1.155 460 E HN 0.662 nan 8.360 nan 0.000 0.408 461 V N 4.258 124.224 119.914 0.087 0.000 2.370 461 V HA 0.125 4.245 4.120 -0.001 0.000 0.283 461 V C -0.028 176.176 176.094 0.183 0.000 1.023 461 V CA -0.806 61.572 62.300 0.129 0.000 0.857 461 V CB 1.477 33.434 31.823 0.223 0.000 0.985 461 V HN 0.748 nan 8.190 nan 0.000 0.443 462 D N 3.073 123.566 120.400 0.155 0.000 2.382 462 D HA 0.091 4.731 4.640 -0.001 0.000 0.245 462 D C 1.220 177.616 176.300 0.160 0.000 1.120 462 D CA 0.328 54.418 54.000 0.151 0.000 0.890 462 D CB 1.850 42.722 40.800 0.119 0.000 1.201 462 D HN 0.463 nan 8.370 nan 0.000 0.433 463 S N 2.719 118.513 115.700 0.156 0.000 2.419 463 S HA -0.181 4.289 4.470 -0.001 0.000 0.233 463 S C 1.639 176.318 174.600 0.131 0.000 1.016 463 S CA 0.925 59.211 58.200 0.144 0.000 0.974 463 S CB -0.046 63.232 63.200 0.129 0.000 0.786 463 S HN 0.564 nan 8.310 nan 0.000 0.492 464 K N 0.564 121.034 120.400 0.117 0.000 2.211 464 K HA -0.100 4.220 4.320 -0.001 0.000 0.204 464 K C 1.676 178.331 176.600 0.092 0.000 1.047 464 K CA 1.589 57.934 56.287 0.097 0.000 0.935 464 K CB -0.103 32.448 32.500 0.085 0.000 0.728 464 K HN 0.271 nan 8.250 nan 0.000 0.452 465 T N -1.092 113.530 114.554 0.114 0.000 2.901 465 T HA 0.041 4.391 4.350 -0.001 0.000 0.252 465 T C 0.342 175.119 174.700 0.128 0.000 1.035 465 T CA 0.511 62.691 62.100 0.134 0.000 1.142 465 T CB 0.275 69.257 68.868 0.190 0.000 0.869 465 T HN 0.068 nan 8.240 nan 0.000 0.442 466 S N -0.783 114.984 115.700 0.112 0.000 2.572 466 S HA 0.431 4.901 4.470 -0.001 0.000 0.274 466 S C -0.282 174.340 174.600 0.037 0.000 1.150 466 S CA -0.837 57.381 58.200 0.030 0.000 0.944 466 S CB 1.122 64.275 63.200 -0.078 0.000 1.071 466 S HN 0.324 nan 8.310 nan 0.000 0.479 467 Y N 4.331 124.560 120.300 -0.118 0.000 2.130 467 Y HA 0.296 4.845 4.550 -0.001 0.000 0.287 467 Y C 1.579 177.388 175.900 -0.152 0.000 1.124 467 Y CA 2.193 60.244 58.100 -0.082 0.000 1.118 467 Y CB -0.030 38.383 38.460 -0.079 0.000 0.994 467 Y HN 0.706 nan 8.280 nan 0.000 0.497 468 G N -2.018 106.636 108.800 -0.244 0.000 4.773 468 G HA2 0.419 4.379 3.960 -0.001 0.000 0.269 468 G HA3 0.419 4.379 3.960 -0.001 0.000 0.269 468 G C 0.580 174.686 174.900 -1.323 0.000 0.992 468 G CA 0.036 44.791 45.100 -0.575 0.000 0.775 468 G HN 0.906 nan 8.290 nan 0.000 0.471 469 G N 0.393 108.143 108.800 -1.751 0.000 2.201 469 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.212 469 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.212 469 G C 0.396 174.912 174.900 -0.640 0.000 0.994 469 G CA 0.211 44.338 45.100 -1.621 0.000 0.644 469 G HN 0.832 nan 8.290 nan 0.000 0.508 470 E N 1.247 121.200 120.200 -0.412 0.000 2.345 470 E HA 0.481 4.830 4.350 -0.001 0.000 0.259 470 E C 1.248 177.780 176.600 -0.114 0.000 1.117 470 E CA 0.361 56.640 56.400 -0.202 0.000 0.913 470 E CB 0.498 30.118 29.700 -0.134 0.000 1.057 470 E HN 1.669 nan 8.360 nan 0.000 0.432 471 G N 1.260 110.039 108.800 -0.034 0.000 2.166 471 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.260 471 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.260 471 G C 0.546 175.546 174.900 0.167 0.000 0.986 471 G CA 0.648 45.787 45.100 0.064 0.000 0.683 471 G HN 0.452 nan 8.290 nan 0.000 0.527 472 L N -0.505 120.732 121.223 0.023 0.000 2.667 472 L HA 0.252 4.591 4.340 -0.001 0.000 0.232 472 L C 2.122 178.852 176.870 -0.232 0.000 1.138 472 L CA 0.313 55.076 54.840 -0.127 0.000 0.921 472 L CB 0.170 42.123 42.059 -0.177 0.000 1.180 472 L HN 0.167 nan 8.230 nan 0.000 0.487 473 E N 0.605 120.785 120.200 -0.033 0.000 2.209 473 E HA -0.261 4.089 4.350 -0.001 0.000 0.196 473 E C 1.765 178.364 176.600 -0.001 0.000 0.993 473 E CA 1.487 57.876 56.400 -0.018 0.000 0.819 473 E CB -0.326 29.396 29.700 0.037 0.000 0.745 473 E HN 0.637 nan 8.360 nan 0.000 0.477 474 F N -0.344 119.635 119.950 0.048 0.000 2.494 474 F HA -0.096 4.430 4.527 -0.001 0.000 0.298 474 F C 1.752 177.614 175.800 0.103 0.000 1.106 474 F CA 0.661 58.700 58.000 0.064 0.000 1.452 474 F CB -0.652 38.386 39.000 0.063 0.000 1.085 474 F HN 0.000 nan 8.300 nan 0.000 0.569 475 V N -1.115 118.497 119.914 -0.504 0.000 3.623 475 V HA 0.114 4.234 4.120 -0.001 0.000 0.271 475 V C 0.772 176.860 176.094 -0.009 0.000 1.248 475 V CA 0.084 62.263 62.300 -0.202 0.000 1.156 475 V CB -1.593 30.093 31.823 -0.227 0.000 0.870 475 V HN 0.353 nan 8.190 nan 0.000 0.453 476 N N 2.181 120.865 118.700 -0.026 0.000 2.365 476 N HA 0.301 5.040 4.740 -0.001 0.000 0.265 476 N C 1.362 176.881 175.510 0.015 0.000 1.288 476 N CA 1.689 54.739 53.050 -0.000 0.000 0.869 476 N CB 0.313 38.803 38.487 0.005 0.000 1.071 476 N HN 0.755 nan 8.380 nan 0.000 0.480 477 G N 0.960 109.759 108.800 -0.001 0.000 2.184 477 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.264 477 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.264 477 G C 0.140 175.053 174.900 0.021 0.000 0.975 477 G CA 0.733 45.839 45.100 0.010 0.000 0.642 477 G HN 0.799 nan 8.290 nan 0.000 0.536 478 K N 0.782 121.160 120.400 -0.037 0.000 2.144 478 K HA 0.580 4.899 4.320 -0.001 0.000 0.270 478 K C 0.034 176.409 176.600 -0.376 0.000 1.005 478 K CA -0.494 55.699 56.287 -0.156 0.000 0.932 478 K CB 0.378 32.731 32.500 -0.245 0.000 1.021 478 K HN 0.458 nan 8.250 nan 0.000 0.462 479 H N 2.233 120.991 119.070 -0.520 0.000 2.459 479 H HA 0.414 4.970 4.556 -0.001 0.000 0.332 479 H C -0.732 174.213 175.328 -0.638 0.000 1.094 479 H CA -0.377 55.422 56.048 -0.414 0.000 1.224 479 H CB 0.815 30.463 29.762 -0.190 0.000 1.449 479 H HN 0.414 nan 8.280 nan 0.000 0.484 480 F N 0.877 120.874 119.950 0.078 0.000 2.575 480 F HA 0.509 5.036 4.527 -0.001 0.000 0.330 480 F C 0.655 176.487 175.800 0.053 0.000 1.056 480 F CA -0.810 57.225 58.000 0.059 0.000 0.964 480 F CB 1.118 40.135 39.000 0.028 0.000 1.258 480 F HN 0.438 nan 8.300 nan 0.000 0.484 481 K N 0.300 120.847 120.400 0.245 0.000 2.203 481 K HA 0.508 4.827 4.320 -0.001 0.000 0.251 481 K C -0.684 175.990 176.600 0.123 0.000 0.944 481 K CA -1.144 55.230 56.287 0.144 0.000 0.829 481 K CB 0.882 33.444 32.500 0.103 0.000 1.125 481 K HN 0.723 nan 8.250 nan 0.000 0.430 482 N N 0.479 119.227 118.700 0.081 0.000 2.301 482 N HA 0.220 4.960 4.740 -0.001 0.000 0.267 482 N C 1.215 176.755 175.510 0.049 0.000 1.304 482 N CA 2.435 55.517 53.050 0.054 0.000 0.851 482 N CB 0.101 38.610 38.487 0.036 0.000 1.070 482 N HN 1.307 nan 8.380 nan 0.000 0.483 483 G N 2.027 110.850 108.800 0.038 0.000 2.175 483 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.244 483 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.244 483 G C -0.297 174.630 174.900 0.046 0.000 0.982 483 G CA 0.049 45.168 45.100 0.033 0.000 0.641 483 G HN 0.666 nan 8.290 nan 0.000 0.527 484 D N 0.135 120.575 120.400 0.067 0.000 2.362 484 D HA 0.505 5.145 4.640 -0.001 0.000 0.242 484 D C 0.831 177.159 176.300 0.048 0.000 1.132 484 D CA 0.308 54.362 54.000 0.090 0.000 0.907 484 D CB 0.944 41.853 40.800 0.181 0.000 1.195 484 D HN 0.316 nan 8.370 nan 0.000 0.429 485 I N 2.251 122.859 120.570 0.063 0.000 2.378 485 I HA 0.336 4.506 4.170 -0.001 0.000 0.291 485 I C 0.280 176.435 176.117 0.063 0.000 0.992 485 I CA -0.527 60.804 61.300 0.051 0.000 1.154 485 I CB 1.310 39.346 38.000 0.061 0.000 1.315 485 I HN 0.093 nan 8.210 nan 0.000 0.448 486 I N 0.000 120.589 120.570 0.031 0.000 2.984 486 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 486 I CA 0.000 61.337 61.300 0.062 0.000 1.566 486 I CB 0.000 37.924 38.000 -0.127 0.000 1.214 486 I HN 0.000 nan 8.210 nan 0.000 0.494