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 3kl4_1_A DATA FIRST_RESID 1 DATA SEQUENCE GLENIRDAVR KFLTGSTPYE KAVDEFIKDL QKSLISSDVN VKLVFSLTAK DATA SEQUENCE IKERLNKEKP PSVLERKEWF ISIVYDELSK LFGGDKEPNV NPTKLPFIIM DATA SEQUENCE LVGVQGSGKT TTAGKLAYFY KKRGYKVGLV AADVYRPAAY DQLLQLGNQI DATA SEQUENCE GVQVYGEPNN QNPIEIAKKG VDIFVKNKMD IIIVDTAGRH GYGEETKLLE DATA SEQUENCE EMKEMYDVLK PDDVILVIDA SIGQKAYDLA SRFHQASPIG SVIITKMDGT DATA SEQUENCE AKGGGALSAV VATGATIKFI GTGEKIDELE TFNAKRFVSR ILGMGDIESI DATA SEQUENCE LEKVKGLXXX XXXXXXXXXX XXXXXXLTLR DVYAQIIALR KMGPLSKVLQ DATA SEQUENCE HIPGLGIMLP TPSEDQLKIG EEKIRRWLAA LNSMTYKELE NPNIIDKSRM DATA SEQUENCE RRIAEGSGLE VEEVRELLEW YNNMNRLLKM VK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.918 174.900 0.030 0.000 0.946 1 G CA 0.000 45.114 45.100 0.024 0.000 0.502 2 L N 1.312 122.561 121.223 0.044 0.000 2.515 2 L HA 0.363 4.703 4.340 0.000 0.000 0.223 2 L C 2.395 179.293 176.870 0.047 0.000 1.079 2 L CA 1.457 56.331 54.840 0.057 0.000 0.857 2 L CB -0.055 42.063 42.059 0.099 0.000 1.050 2 L HN 0.374 nan 8.230 nan 0.000 0.476 3 E N -0.495 119.732 120.200 0.044 0.000 2.274 3 E HA -0.174 4.176 4.350 0.000 0.000 0.194 3 E C 0.872 177.491 176.600 0.032 0.000 0.996 3 E CA 0.743 57.163 56.400 0.034 0.000 0.840 3 E CB -0.723 29.000 29.700 0.038 0.000 0.772 3 E HN 0.525 nan 8.360 nan 0.000 0.491 4 N N 1.248 119.969 118.700 0.035 0.000 2.585 4 N HA -0.024 4.716 4.740 0.000 0.000 0.188 4 N C 1.758 177.299 175.510 0.052 0.000 1.102 4 N CA 0.510 53.584 53.050 0.039 0.000 0.920 4 N CB -0.314 38.193 38.487 0.035 0.000 0.963 4 N HN 0.314 nan 8.380 nan 0.000 0.447 5 I N 0.573 121.173 120.570 0.050 0.000 2.133 5 I HA -0.254 3.916 4.170 0.000 0.000 0.238 5 I C 2.531 178.709 176.117 0.101 0.000 1.074 5 I CA 0.897 62.243 61.300 0.077 0.000 1.342 5 I CB -0.235 37.795 38.000 0.051 0.000 1.053 5 I HN 0.094 nan 8.210 nan 0.000 0.404 6 R N 1.079 121.617 120.500 0.062 0.000 2.140 6 R HA -0.261 4.079 4.340 0.000 0.000 0.250 6 R C 1.863 178.204 176.300 0.068 0.000 1.150 6 R CA 2.401 58.534 56.100 0.056 0.000 0.966 6 R CB -0.302 30.015 30.300 0.028 0.000 0.869 6 R HN 0.398 nan 8.270 nan 0.000 0.445 7 D N 0.017 120.457 120.400 0.068 0.000 2.097 7 D HA -0.152 4.488 4.640 0.000 0.000 0.195 7 D C 1.725 178.084 176.300 0.098 0.000 0.989 7 D CA 1.602 55.643 54.000 0.069 0.000 0.827 7 D CB -0.463 40.372 40.800 0.059 0.000 0.966 7 D HN 0.419 nan 8.370 nan 0.000 0.456 8 A N 0.532 123.434 122.820 0.137 0.000 2.131 8 A HA -0.117 4.203 4.320 0.000 0.000 0.220 8 A C 2.350 180.052 177.584 0.198 0.000 1.158 8 A CA 1.122 53.285 52.037 0.211 0.000 0.665 8 A CB -0.326 18.847 19.000 0.288 0.000 0.795 8 A HN 0.189 nan 8.150 nan 0.000 0.460 9 V N -1.425 118.570 119.914 0.135 0.000 2.672 9 V HA -0.002 4.118 4.120 0.000 0.000 0.242 9 V C 2.347 178.479 176.094 0.063 0.000 1.059 9 V CA 1.449 63.774 62.300 0.041 0.000 1.081 9 V CB -0.574 31.277 31.823 0.046 0.000 0.752 9 V HN 0.443 nan 8.190 nan 0.000 0.472 10 R N 0.718 121.254 120.500 0.060 0.000 2.241 10 R HA -0.050 4.290 4.340 0.000 0.000 0.224 10 R C 2.014 178.341 176.300 0.045 0.000 1.101 10 R CA 1.320 57.446 56.100 0.043 0.000 0.995 10 R CB -0.299 30.022 30.300 0.035 0.000 0.870 10 R HN 0.507 nan 8.270 nan 0.000 0.463 11 K N -1.655 118.788 120.400 0.070 0.000 2.063 11 K HA -0.004 4.316 4.320 0.000 0.000 0.204 11 K C 1.625 178.264 176.600 0.066 0.000 1.039 11 K CA 1.005 57.331 56.287 0.065 0.000 0.957 11 K CB -0.311 32.242 32.500 0.089 0.000 0.764 11 K HN 0.058 nan 8.250 nan 0.000 0.447 12 F N 1.827 121.731 119.950 -0.077 0.000 2.346 12 F HA -0.120 4.407 4.527 0.000 0.000 0.301 12 F C 1.093 176.838 175.800 -0.092 0.000 1.070 12 F CA 1.162 59.086 58.000 -0.127 0.000 1.407 12 F CB 0.098 38.920 39.000 -0.296 0.000 1.072 12 F HN -0.058 nan 8.300 nan 0.000 0.543 13 L N -0.209 121.010 121.223 -0.006 0.000 2.928 13 L HA 0.170 4.511 4.340 0.000 0.000 0.246 13 L C 0.269 177.100 176.870 -0.065 0.000 1.239 13 L CA 0.129 54.936 54.840 -0.055 0.000 1.035 13 L CB -0.196 41.875 42.059 0.021 0.000 1.360 13 L HN -0.100 nan 8.230 nan 0.000 0.529 14 T N -0.427 114.079 114.554 -0.081 0.000 3.533 14 T HA 0.172 4.522 4.350 0.000 0.000 0.275 14 T C 1.025 175.681 174.700 -0.074 0.000 1.000 14 T CA -0.116 61.949 62.100 -0.057 0.000 1.015 14 T CB 0.717 69.569 68.868 -0.026 0.000 1.153 14 T HN 0.383 nan 8.240 nan 0.000 0.504 15 G N 2.396 111.125 108.800 -0.117 0.000 2.396 15 G HA2 -0.309 3.652 3.960 0.000 0.000 0.288 15 G HA3 -0.309 3.652 3.960 0.000 0.000 0.288 15 G C 1.131 175.981 174.900 -0.082 0.000 0.926 15 G CA 0.703 45.736 45.100 -0.111 0.000 1.211 15 G HN 0.732 nan 8.290 nan 0.000 0.496 16 S N -1.025 114.621 115.700 -0.090 0.000 2.345 16 S HA 0.165 4.635 4.470 0.000 0.000 0.220 16 S C 1.337 175.914 174.600 -0.039 0.000 1.031 16 S CA 1.915 60.086 58.200 -0.048 0.000 0.996 16 S CB -0.139 63.044 63.200 -0.029 0.000 0.882 16 S HN 1.824 nan 8.310 nan 0.000 0.445 17 T N -2.256 112.266 114.554 -0.053 0.000 2.626 17 T HA 0.620 4.970 4.350 0.000 0.000 0.299 17 T C -3.312 171.365 174.700 -0.037 0.000 1.181 17 T CA -1.617 60.464 62.100 -0.032 0.000 1.053 17 T CB -0.030 68.831 68.868 -0.013 0.000 1.566 17 T HN -0.001 nan 8.240 nan 0.000 0.486 18 P HA 0.163 nan 4.420 nan 0.000 0.268 18 P C 0.145 177.458 177.300 0.022 0.000 1.208 18 P CA -0.299 62.811 63.100 0.017 0.000 0.777 18 P CB 0.124 31.839 31.700 0.025 0.000 0.875 19 Y N 2.757 123.016 120.300 -0.068 0.000 2.014 19 Y HA -0.304 4.246 4.550 0.000 0.000 0.272 19 Y C 1.820 177.703 175.900 -0.029 0.000 1.164 19 Y CA 2.084 60.139 58.100 -0.076 0.000 1.114 19 Y CB -0.348 38.083 38.460 -0.048 0.000 0.961 19 Y HN 0.454 nan 8.280 nan 0.000 0.489 20 E N -0.057 120.050 120.200 -0.155 0.000 2.152 20 E HA -0.156 4.194 4.350 0.000 0.000 0.192 20 E C 1.908 178.423 176.600 -0.142 0.000 0.983 20 E CA 1.151 57.400 56.400 -0.252 0.000 0.818 20 E CB -0.184 29.505 29.700 -0.018 0.000 0.758 20 E HN 0.540 nan 8.360 nan 0.000 0.467 21 K N 0.364 120.729 120.400 -0.059 0.000 2.504 21 K HA 0.023 4.343 4.320 0.000 0.000 0.195 21 K C 1.650 178.242 176.600 -0.013 0.000 1.036 21 K CA 0.588 56.860 56.287 -0.025 0.000 0.984 21 K CB 0.242 32.741 32.500 -0.003 0.000 0.788 21 K HN 0.035 nan 8.250 nan 0.000 0.488 22 A N 0.320 123.122 122.820 -0.030 0.000 1.963 22 A HA 0.036 4.356 4.320 0.000 0.000 0.207 22 A C 2.158 179.834 177.584 0.154 0.000 1.243 22 A CA 0.085 52.170 52.037 0.080 0.000 0.728 22 A CB -0.271 18.743 19.000 0.022 0.000 0.895 22 A HN 0.006 nan 8.150 nan 0.000 0.467 23 V N 1.353 121.248 119.914 -0.031 0.000 2.278 23 V HA -0.356 3.764 4.120 0.000 0.000 0.251 23 V C 2.174 178.197 176.094 -0.119 0.000 1.062 23 V CA 2.630 64.733 62.300 -0.329 0.000 1.038 23 V CB -0.738 30.712 31.823 -0.621 0.000 0.646 23 V HN 0.553 nan 8.190 nan 0.000 0.447 24 D N -0.975 119.389 120.400 -0.061 0.000 2.117 24 D HA -0.206 4.434 4.640 0.000 0.000 0.197 24 D C 2.158 178.485 176.300 0.046 0.000 0.987 24 D CA 1.429 55.429 54.000 -0.001 0.000 0.829 24 D CB -0.106 40.691 40.800 -0.005 0.000 0.961 24 D HN 0.569 nan 8.370 nan 0.000 0.460 25 E N -0.174 120.070 120.200 0.072 0.000 2.160 25 E HA -0.189 4.161 4.350 0.000 0.000 0.195 25 E C 1.966 178.654 176.600 0.147 0.000 0.991 25 E CA 0.501 56.960 56.400 0.097 0.000 0.810 25 E CB -0.060 29.706 29.700 0.109 0.000 0.742 25 E HN 0.129 nan 8.360 nan 0.000 0.466 26 F N 1.769 121.696 119.950 -0.038 0.000 2.051 26 F HA -0.229 4.298 4.527 0.000 0.000 0.296 26 F C 2.072 177.848 175.800 -0.040 0.000 1.122 26 F CA 1.180 59.134 58.000 -0.076 0.000 1.201 26 F CB -0.503 38.345 39.000 -0.254 0.000 0.978 26 F HN -0.011 nan 8.300 nan 0.000 0.472 27 I N 0.575 121.124 120.570 -0.035 0.000 2.315 27 I HA -0.304 3.866 4.170 0.000 0.000 0.251 27 I C 2.153 178.215 176.117 -0.091 0.000 1.125 27 I CA 1.256 62.483 61.300 -0.123 0.000 1.392 27 I CB -1.513 36.486 38.000 -0.001 0.000 1.065 27 I HN 0.189 nan 8.210 nan 0.000 0.424 28 K N 1.008 121.392 120.400 -0.027 0.000 1.984 28 K HA -0.140 4.181 4.320 0.000 0.000 0.209 28 K C 1.712 178.294 176.600 -0.031 0.000 1.046 28 K CA 1.358 57.644 56.287 -0.001 0.000 0.934 28 K CB -0.706 31.809 32.500 0.025 0.000 0.717 28 K HN 0.281 nan 8.250 nan 0.000 0.438 29 D N 1.065 121.444 120.400 -0.034 0.000 2.178 29 D HA -0.133 4.507 4.640 0.000 0.000 0.201 29 D C 1.962 178.188 176.300 -0.124 0.000 0.980 29 D CA 0.540 54.517 54.000 -0.038 0.000 0.842 29 D CB -0.169 40.655 40.800 0.040 0.000 0.948 29 D HN 0.016 nan 8.370 nan 0.000 0.472 30 L N 0.738 121.790 121.223 -0.286 0.000 2.007 30 L HA -0.157 4.183 4.340 0.000 0.000 0.205 30 L C 2.232 178.973 176.870 -0.215 0.000 1.073 30 L CA 1.599 56.221 54.840 -0.363 0.000 0.744 30 L CB -0.427 41.254 42.059 -0.629 0.000 0.898 30 L HN -0.079 nan 8.230 nan 0.000 0.435 31 Q N -0.307 119.380 119.800 -0.187 0.000 2.112 31 Q HA -0.305 4.035 4.340 0.000 0.000 0.206 31 Q C 2.256 178.197 176.000 -0.098 0.000 0.987 31 Q CA 2.098 57.810 55.803 -0.152 0.000 0.858 31 Q CB -0.391 28.307 28.738 -0.067 0.000 0.905 31 Q HN 0.498 nan 8.270 nan 0.000 0.420 32 K N 0.526 120.892 120.400 -0.057 0.000 2.032 32 K HA -0.162 4.158 4.320 0.000 0.000 0.209 32 K C 2.169 178.751 176.600 -0.029 0.000 1.048 32 K CA 1.738 58.010 56.287 -0.025 0.000 0.927 32 K CB 0.003 32.498 32.500 -0.008 0.000 0.712 32 K HN 0.053 nan 8.250 nan 0.000 0.441 33 S N 1.594 117.270 115.700 -0.040 0.000 2.345 33 S HA -0.098 4.372 4.470 0.000 0.000 0.220 33 S C 2.028 176.618 174.600 -0.017 0.000 1.031 33 S CA 1.253 59.440 58.200 -0.022 0.000 0.996 33 S CB -0.324 62.862 63.200 -0.024 0.000 0.882 33 S HN 0.253 nan 8.310 nan 0.000 0.445 34 L N 1.191 122.388 121.223 -0.043 0.000 1.989 34 L HA -0.153 4.187 4.340 0.000 0.000 0.211 34 L C 2.336 179.191 176.870 -0.025 0.000 1.071 34 L CA 1.446 56.274 54.840 -0.019 0.000 0.749 34 L CB -0.759 41.260 42.059 -0.067 0.000 0.890 34 L HN 0.297 nan 8.230 nan 0.000 0.431 35 I N -0.113 120.420 120.570 -0.063 0.000 2.286 35 I HA -0.271 3.899 4.170 0.000 0.000 0.248 35 I C 2.709 178.813 176.117 -0.021 0.000 1.115 35 I CA 1.593 62.861 61.300 -0.053 0.000 1.392 35 I CB -0.435 37.531 38.000 -0.057 0.000 1.065 35 I HN 0.358 nan 8.210 nan 0.000 0.418 36 S N -1.054 114.638 115.700 -0.013 0.000 2.547 36 S HA -0.084 4.386 4.470 0.000 0.000 0.235 36 S C 1.796 176.398 174.600 0.004 0.000 0.980 36 S CA 1.124 59.324 58.200 -0.002 0.000 0.941 36 S CB -0.171 63.031 63.200 0.002 0.000 0.763 36 S HN 0.330 nan 8.310 nan 0.000 0.532 37 S N 0.374 116.078 115.700 0.007 0.000 2.540 37 S HA 0.197 4.668 4.470 0.000 0.000 0.218 37 S C 0.097 174.700 174.600 0.004 0.000 0.977 37 S CA 0.315 58.525 58.200 0.016 0.000 0.918 37 S CB -0.555 62.671 63.200 0.043 0.000 0.806 37 S HN 0.563 nan 8.310 nan 0.000 0.496 38 D N 0.035 120.433 120.400 -0.003 0.000 3.091 38 D HA -0.131 4.509 4.640 0.000 0.000 0.216 38 D C -0.434 175.862 176.300 -0.006 0.000 1.129 38 D CA 0.528 54.523 54.000 -0.009 0.000 0.913 38 D CB -1.741 39.050 40.800 -0.014 0.000 1.101 38 D HN 0.243 nan 8.370 nan 0.000 0.426 39 V N 1.023 120.937 119.914 0.001 0.000 2.775 39 V HA 0.164 4.284 4.120 0.000 0.000 0.299 39 V C 1.167 177.257 176.094 -0.007 0.000 1.062 39 V CA -0.547 61.763 62.300 0.016 0.000 1.063 39 V CB 1.441 33.290 31.823 0.044 0.000 0.994 39 V HN 0.351 nan 8.190 nan 0.000 0.483 40 N N 2.732 121.437 118.700 0.007 0.000 2.412 40 N HA -0.029 4.711 4.740 0.000 0.000 0.254 40 N C 1.077 176.554 175.510 -0.055 0.000 1.232 40 N CA 0.534 53.579 53.050 -0.009 0.000 0.880 40 N CB 1.666 40.163 38.487 0.017 0.000 1.076 40 N HN 0.532 nan 8.380 nan 0.000 0.458 41 V N 3.263 123.142 119.914 -0.057 0.000 2.358 41 V HA -0.225 3.896 4.120 0.000 0.000 0.246 41 V C 2.279 178.308 176.094 -0.108 0.000 1.047 41 V CA 2.031 64.259 62.300 -0.121 0.000 1.035 41 V CB -0.862 30.967 31.823 0.011 0.000 0.658 41 V HN 0.850 nan 8.190 nan 0.000 0.452 42 K N 1.042 121.452 120.400 0.016 0.000 2.152 42 K HA -0.111 4.209 4.320 0.000 0.000 0.206 42 K C 2.140 178.748 176.600 0.013 0.000 1.048 42 K CA 2.126 58.455 56.287 0.070 0.000 0.933 42 K CB -0.647 31.885 32.500 0.053 0.000 0.721 42 K HN 0.519 nan 8.250 nan 0.000 0.447 43 L N 1.410 122.614 121.223 -0.033 0.000 2.027 43 L HA -0.137 4.203 4.340 0.000 0.000 0.206 43 L C 2.602 179.404 176.870 -0.112 0.000 1.074 43 L CA 0.919 55.737 54.840 -0.038 0.000 0.745 43 L CB -0.725 41.330 42.059 -0.007 0.000 0.898 43 L HN 0.032 nan 8.230 nan 0.000 0.433 44 V N -0.149 119.617 119.914 -0.246 0.000 2.255 44 V HA -0.302 3.819 4.120 0.000 0.000 0.247 44 V C 2.330 178.186 176.094 -0.397 0.000 1.051 44 V CA 1.987 64.055 62.300 -0.388 0.000 1.018 44 V CB -0.862 30.592 31.823 -0.614 0.000 0.641 44 V HN 0.181 nan 8.190 nan 0.000 0.445 45 F N 0.464 120.401 119.950 -0.021 0.000 2.293 45 F HA -0.092 4.435 4.527 0.000 0.000 0.300 45 F C 2.747 178.535 175.800 -0.020 0.000 1.086 45 F CA 1.268 59.255 58.000 -0.022 0.000 1.375 45 F CB -1.112 37.879 39.000 -0.015 0.000 1.045 45 F HN 0.092 nan 8.300 nan 0.000 0.516 46 S N 0.394 116.141 115.700 0.078 0.000 2.343 46 S HA -0.188 4.283 4.470 0.000 0.000 0.219 46 S C 2.192 176.800 174.600 0.013 0.000 1.033 46 S CA 1.184 59.415 58.200 0.052 0.000 1.014 46 S CB -0.646 62.570 63.200 0.026 0.000 0.915 46 S HN 0.268 nan 8.310 nan 0.000 0.435 47 L N 1.673 122.873 121.223 -0.038 0.000 1.971 47 L HA -0.138 4.202 4.340 0.000 0.000 0.215 47 L C 2.865 179.700 176.870 -0.058 0.000 1.072 47 L CA 2.854 57.652 54.840 -0.071 0.000 0.758 47 L CB -1.433 40.552 42.059 -0.122 0.000 0.889 47 L HN 0.638 nan 8.230 nan 0.000 0.433 48 T N -2.599 111.925 114.554 -0.049 0.000 2.822 48 T HA -0.219 4.131 4.350 0.000 0.000 0.270 48 T C 1.800 176.514 174.700 0.023 0.000 1.064 48 T CA 1.368 63.458 62.100 -0.017 0.000 1.131 48 T CB -0.798 68.086 68.868 0.025 0.000 0.858 48 T HN 0.459 nan 8.240 nan 0.000 0.483 49 A N 2.182 125.026 122.820 0.041 0.000 1.835 49 A HA -0.026 4.294 4.320 0.000 0.000 0.215 49 A C 2.320 179.921 177.584 0.029 0.000 1.199 49 A CA 2.055 54.120 52.037 0.047 0.000 0.615 49 A CB -0.898 18.135 19.000 0.055 0.000 0.838 49 A HN 0.492 nan 8.150 nan 0.000 0.444 50 K N -0.111 120.295 120.400 0.010 0.000 2.519 50 K HA 0.084 4.404 4.320 0.000 0.000 0.196 50 K C 1.289 177.881 176.600 -0.013 0.000 1.041 50 K CA 0.859 57.146 56.287 -0.000 0.000 0.954 50 K CB -0.486 32.003 32.500 -0.017 0.000 0.774 50 K HN 0.615 nan 8.250 nan 0.000 0.480 51 I N -0.351 120.209 120.570 -0.016 0.000 2.867 51 I HA -0.124 4.046 4.170 0.000 0.000 0.265 51 I C 1.565 177.709 176.117 0.044 0.000 1.162 51 I CA 0.583 61.865 61.300 -0.029 0.000 1.471 51 I CB 0.063 38.024 38.000 -0.064 0.000 1.123 51 I HN 0.046 nan 8.210 nan 0.000 0.440 52 K N 0.672 121.111 120.400 0.065 0.000 2.305 52 K HA -0.043 4.277 4.320 0.000 0.000 0.199 52 K C 1.643 178.299 176.600 0.093 0.000 1.047 52 K CA 0.684 57.029 56.287 0.096 0.000 0.976 52 K CB 0.053 32.602 32.500 0.081 0.000 0.765 52 K HN 0.340 nan 8.250 nan 0.000 0.474 53 E N 1.078 121.320 120.200 0.071 0.000 2.072 53 E HA -0.116 4.234 4.350 0.000 0.000 0.191 53 E C 2.052 178.709 176.600 0.094 0.000 0.985 53 E CA 0.885 57.329 56.400 0.072 0.000 0.801 53 E CB 0.165 29.897 29.700 0.053 0.000 0.750 53 E HN 0.239 nan 8.360 nan 0.000 0.452 54 R N 0.442 120.993 120.500 0.086 0.000 2.062 54 R HA -0.056 4.284 4.340 0.000 0.000 0.229 54 R C 2.555 178.978 176.300 0.205 0.000 1.128 54 R CA 0.639 56.809 56.100 0.117 0.000 0.960 54 R CB -0.496 29.823 30.300 0.032 0.000 0.855 54 R HN 0.131 nan 8.270 nan 0.000 0.432 55 L N 1.508 122.847 121.223 0.194 0.000 2.263 55 L HA -0.224 4.116 4.340 0.000 0.000 0.216 55 L C 1.339 178.386 176.870 0.295 0.000 1.111 55 L CA 1.498 56.524 54.840 0.310 0.000 0.773 55 L CB -0.178 42.061 42.059 0.300 0.000 0.906 55 L HN 0.149 nan 8.230 nan 0.000 0.439 56 N N -0.553 118.273 118.700 0.209 0.000 2.178 56 N HA -0.089 4.651 4.740 0.000 0.000 0.189 56 N C 1.606 177.211 175.510 0.158 0.000 1.048 56 N CA 1.528 54.677 53.050 0.166 0.000 0.855 56 N CB -0.002 38.557 38.487 0.119 0.000 1.028 56 N HN 0.239 nan 8.380 nan 0.000 0.441 57 K N 0.567 121.054 120.400 0.145 0.000 2.021 57 K HA 0.034 4.354 4.320 0.000 0.000 0.205 57 K C -0.080 176.612 176.600 0.154 0.000 1.047 57 K CA 0.621 56.983 56.287 0.124 0.000 0.943 57 K CB -0.183 32.377 32.500 0.100 0.000 0.725 57 K HN 0.168 nan 8.250 nan 0.000 0.439 58 E N 2.626 122.967 120.200 0.235 0.000 2.529 58 E HA -0.025 4.325 4.350 0.000 0.000 0.259 58 E C -0.264 176.476 176.600 0.234 0.000 0.966 58 E CA 0.533 57.127 56.400 0.324 0.000 0.937 58 E CB 0.300 30.364 29.700 0.606 0.000 0.923 58 E HN 0.027 nan 8.360 nan 0.000 0.468 59 K N 3.710 124.093 120.400 -0.029 0.000 2.213 59 K HA 0.355 4.675 4.320 0.000 0.000 0.270 59 K C -2.389 173.796 176.600 -0.693 0.000 1.002 59 K CA -2.281 53.868 56.287 -0.230 0.000 0.868 59 K CB 0.852 33.269 32.500 -0.138 0.000 1.093 59 K HN 0.172 nan 8.250 nan 0.000 0.454 60 P HA 0.112 nan 4.420 nan 0.000 0.263 60 P C -2.334 174.586 177.300 -0.634 0.000 1.195 60 P CA -0.624 61.736 63.100 -1.234 0.000 0.762 60 P CB -0.040 31.205 31.700 -0.759 0.000 0.799 61 P HA 0.179 nan 4.420 nan 0.000 0.278 61 P C -0.314 176.908 177.300 -0.129 0.000 1.258 61 P CA -0.365 62.594 63.100 -0.235 0.000 0.811 61 P CB 0.581 32.198 31.700 -0.138 0.000 1.063 62 S N 0.152 115.809 115.700 -0.073 0.000 2.572 62 S HA -0.012 4.458 4.470 0.000 0.000 0.267 62 S C 0.934 175.525 174.600 -0.015 0.000 1.361 62 S CA -0.201 57.980 58.200 -0.030 0.000 1.009 62 S CB -0.011 63.187 63.200 -0.004 0.000 0.888 62 S HN 0.571 nan 8.310 nan 0.000 0.553 63 V N 0.382 120.296 119.914 -0.000 0.000 2.745 63 V HA -0.199 3.921 4.120 0.000 0.000 0.150 63 V C -0.539 175.572 176.094 0.028 0.000 0.454 63 V CA 1.336 63.643 62.300 0.011 0.000 1.212 63 V CB -1.224 30.605 31.823 0.010 0.000 1.411 63 V HN 0.624 nan 8.190 nan 0.000 1.061 64 L N 1.190 122.430 121.223 0.027 0.000 2.353 64 L HA 0.519 4.859 4.340 0.000 0.000 0.270 64 L C 0.254 177.172 176.870 0.080 0.000 1.003 64 L CA -0.535 54.355 54.840 0.082 0.000 0.862 64 L CB 1.573 43.697 42.059 0.110 0.000 1.221 64 L HN 0.322 nan 8.230 nan 0.000 0.430 65 E N 2.274 122.528 120.200 0.090 0.000 2.413 65 E HA 0.010 4.360 4.350 0.000 0.000 0.263 65 E C 1.128 177.814 176.600 0.143 0.000 1.015 65 E CA 0.266 56.706 56.400 0.067 0.000 0.916 65 E CB 0.739 30.468 29.700 0.048 0.000 0.947 65 E HN 0.360 nan 8.360 nan 0.000 0.440 66 R N 2.944 123.476 120.500 0.054 0.000 2.165 66 R HA -0.300 4.040 4.340 0.000 0.000 0.254 66 R C 1.978 178.541 176.300 0.439 0.000 1.153 66 R CA 2.612 58.749 56.100 0.061 0.000 0.971 66 R CB -0.504 29.530 30.300 -0.444 0.000 0.878 66 R HN 0.658 nan 8.270 nan 0.000 0.449 67 K N 0.360 120.982 120.400 0.370 0.000 2.098 67 K HA -0.034 4.287 4.320 0.000 0.000 0.203 67 K C 1.686 178.603 176.600 0.528 0.000 1.051 67 K CA 1.021 57.600 56.287 0.486 0.000 0.957 67 K CB -0.047 32.450 32.500 -0.006 0.000 0.738 67 K HN 0.150 nan 8.250 nan 0.000 0.447 68 E N 0.887 121.283 120.200 0.325 0.000 2.051 68 E HA -0.198 4.152 4.350 0.000 0.000 0.192 68 E C 1.811 178.595 176.600 0.308 0.000 0.991 68 E CA 1.366 57.922 56.400 0.260 0.000 0.799 68 E CB -0.325 29.475 29.700 0.166 0.000 0.748 68 E HN 0.557 nan 8.360 nan 0.000 0.449 69 W N 1.506 122.912 121.300 0.177 0.000 2.325 69 W HA -0.282 4.378 4.660 0.000 0.000 0.299 69 W C 1.748 178.394 176.519 0.211 0.000 1.215 69 W CA 0.868 58.307 57.345 0.157 0.000 1.244 69 W CB -0.442 29.105 29.460 0.144 0.000 1.140 69 W HN 0.052 nan 8.180 nan 0.000 0.523 70 F N 2.342 122.277 119.950 -0.024 0.000 2.026 70 F HA -0.286 4.242 4.527 0.000 0.000 0.296 70 F C 2.318 178.007 175.800 -0.184 0.000 1.133 70 F CA 2.447 60.349 58.000 -0.163 0.000 1.188 70 F CB -1.123 37.987 39.000 0.183 0.000 0.968 70 F HN -0.263 nan 8.300 nan 0.000 0.476 71 I N 0.231 120.696 120.570 -0.176 0.000 2.194 71 I HA -0.312 3.858 4.170 0.000 0.000 0.246 71 I C 2.788 178.767 176.117 -0.230 0.000 1.093 71 I CA 1.798 62.934 61.300 -0.272 0.000 1.355 71 I CB -2.073 35.894 38.000 -0.055 0.000 1.046 71 I HN 0.353 nan 8.210 nan 0.000 0.413 72 S N 0.834 116.435 115.700 -0.165 0.000 2.407 72 S HA -0.177 4.293 4.470 0.000 0.000 0.235 72 S C 1.933 176.421 174.600 -0.188 0.000 1.036 72 S CA 1.189 59.324 58.200 -0.109 0.000 1.013 72 S CB -0.046 63.136 63.200 -0.029 0.000 0.820 72 S HN 0.283 nan 8.310 nan 0.000 0.476 73 I N 0.885 121.191 120.570 -0.439 0.000 2.400 73 I HA -0.008 4.162 4.170 0.000 0.000 0.248 73 I C 2.432 178.338 176.117 -0.351 0.000 1.109 73 I CA 0.604 61.638 61.300 -0.442 0.000 1.425 73 I CB -1.612 36.030 38.000 -0.596 0.000 1.094 73 I HN 0.200 nan 8.210 nan 0.000 0.425 74 V N 1.224 120.875 119.914 -0.438 0.000 2.214 74 V HA -0.366 3.755 4.120 0.000 0.000 0.244 74 V C 2.433 178.415 176.094 -0.186 0.000 1.045 74 V CA 2.420 64.522 62.300 -0.331 0.000 0.993 74 V CB -1.139 30.530 31.823 -0.258 0.000 0.633 74 V HN 0.378 nan 8.190 nan 0.000 0.449 75 Y N 1.266 121.425 120.300 -0.235 0.000 2.029 75 Y HA -0.391 4.159 4.550 0.000 0.000 0.269 75 Y C 2.530 178.322 175.900 -0.180 0.000 1.201 75 Y CA 2.479 60.469 58.100 -0.182 0.000 1.115 75 Y CB -0.835 37.542 38.460 -0.138 0.000 0.945 75 Y HN 0.413 nan 8.280 nan 0.000 0.497 76 D N -0.120 120.178 120.400 -0.170 0.000 2.160 76 D HA -0.235 4.405 4.640 0.000 0.000 0.189 76 D C 1.979 178.078 176.300 -0.336 0.000 1.003 76 D CA 2.106 55.930 54.000 -0.294 0.000 0.846 76 D CB -0.149 40.576 40.800 -0.126 0.000 0.949 76 D HN 0.524 nan 8.370 nan 0.000 0.446 77 E N 0.389 120.430 120.200 -0.266 0.000 2.038 77 E HA -0.134 4.216 4.350 0.000 0.000 0.195 77 E C 2.538 178.950 176.600 -0.313 0.000 1.000 77 E CA 0.326 56.577 56.400 -0.248 0.000 0.803 77 E CB -0.663 28.907 29.700 -0.216 0.000 0.750 77 E HN 0.428 nan 8.360 nan 0.000 0.448 78 L N 0.708 121.704 121.223 -0.379 0.000 2.187 78 L HA -0.171 4.170 4.340 0.000 0.000 0.213 78 L C 2.596 179.084 176.870 -0.636 0.000 1.100 78 L CA 0.873 55.379 54.840 -0.557 0.000 0.765 78 L CB -0.298 41.456 42.059 -0.509 0.000 0.904 78 L HN 0.070 nan 8.230 nan 0.000 0.437 79 S N -0.397 115.004 115.700 -0.498 0.000 2.387 79 S HA -0.130 4.340 4.470 0.000 0.000 0.226 79 S C 1.952 176.395 174.600 -0.261 0.000 1.026 79 S CA 1.072 59.008 58.200 -0.440 0.000 0.972 79 S CB 0.095 62.884 63.200 -0.684 0.000 0.814 79 S HN 0.344 nan 8.310 nan 0.000 0.477 80 K N 0.491 120.751 120.400 -0.232 0.000 2.097 80 K HA -0.024 4.296 4.320 0.000 0.000 0.205 80 K C 1.961 178.522 176.600 -0.066 0.000 1.050 80 K CA 0.987 57.200 56.287 -0.123 0.000 0.938 80 K CB -0.300 32.135 32.500 -0.109 0.000 0.718 80 K HN 0.228 nan 8.250 nan 0.000 0.442 81 L N 0.500 121.650 121.223 -0.123 0.000 1.970 81 L HA -0.174 4.166 4.340 0.000 0.000 0.212 81 L C 1.841 178.869 176.870 0.262 0.000 1.071 81 L CA 1.890 56.719 54.840 -0.017 0.000 0.751 81 L CB -0.445 41.496 42.059 -0.196 0.000 0.889 81 L HN 0.063 nan 8.230 nan 0.000 0.432 82 F N -1.104 118.878 119.950 0.055 0.000 2.512 82 F HA 0.294 4.821 4.527 0.000 0.000 0.296 82 F C 1.777 177.677 175.800 0.167 0.000 1.110 82 F CA 0.330 58.415 58.000 0.141 0.000 1.446 82 F CB -1.208 37.956 39.000 0.274 0.000 1.092 82 F HN 0.223 nan 8.300 nan 0.000 0.554 83 G N -2.010 106.943 108.800 0.254 0.000 3.385 83 G HA2 0.443 4.403 3.960 0.000 0.000 0.179 83 G HA3 0.443 4.403 3.960 0.000 0.000 0.179 83 G C 0.792 175.727 174.900 0.058 0.000 1.433 83 G CA 0.401 45.599 45.100 0.163 0.000 1.086 83 G HN 0.312 nan 8.290 nan 0.000 0.763 84 G N -0.175 108.627 108.800 0.003 0.000 2.273 84 G HA2 0.062 4.023 3.960 0.000 0.000 0.162 84 G HA3 0.062 4.023 3.960 0.000 0.000 0.162 84 G C -0.173 174.715 174.900 -0.020 0.000 1.006 84 G CA 0.747 45.833 45.100 -0.023 0.000 0.704 84 G HN 0.944 nan 8.290 nan 0.000 0.487 85 D N -0.922 119.471 120.400 -0.011 0.000 3.103 85 D HA 0.455 5.095 4.640 0.000 0.000 0.337 85 D C -0.941 175.354 176.300 -0.008 0.000 1.356 85 D CA -0.783 53.213 54.000 -0.006 0.000 0.951 85 D CB 0.455 41.258 40.800 0.004 0.000 1.438 85 D HN -0.037 nan 8.370 nan 0.000 0.562 86 K N 1.295 121.694 120.400 -0.002 0.000 2.090 86 K HA 0.191 4.511 4.320 0.000 0.000 0.249 86 K C -0.053 176.542 176.600 -0.008 0.000 0.995 86 K CA -0.505 55.778 56.287 -0.006 0.000 0.914 86 K CB 0.399 32.900 32.500 0.002 0.000 1.057 86 K HN 0.366 nan 8.250 nan 0.000 0.462 87 E N 2.295 122.482 120.200 -0.022 0.000 2.820 87 E HA -0.040 4.310 4.350 0.000 0.000 0.251 87 E C -1.990 174.603 176.600 -0.012 0.000 0.944 87 E CA -0.787 55.594 56.400 -0.031 0.000 0.955 87 E CB -0.791 28.883 29.700 -0.044 0.000 0.904 87 E HN 0.249 nan 8.360 nan 0.000 0.513 88 P HA -0.012 nan 4.420 nan 0.000 0.271 88 P C -0.234 177.069 177.300 0.005 0.000 1.233 88 P CA -0.145 62.961 63.100 0.009 0.000 0.795 88 P CB 0.369 32.080 31.700 0.019 0.000 0.936 89 N N 0.234 118.952 118.700 0.030 0.000 3.083 89 N HA 0.068 4.809 4.740 0.000 0.000 0.260 89 N C 0.586 176.130 175.510 0.057 0.000 1.163 89 N CA 0.062 53.133 53.050 0.035 0.000 1.060 89 N CB -0.627 37.880 38.487 0.034 0.000 1.345 89 N HN -0.009 nan 8.380 nan 0.000 0.515 90 V N 0.590 120.535 119.914 0.052 0.000 3.140 90 V HA -0.142 3.978 4.120 0.000 0.000 0.269 90 V C 0.576 176.790 176.094 0.199 0.000 1.149 90 V CA 0.843 63.223 62.300 0.133 0.000 1.162 90 V CB -0.906 30.917 31.823 0.000 0.000 0.756 90 V HN 0.585 nan 8.190 nan 0.000 0.523 91 N N 1.118 119.866 118.700 0.080 0.000 2.458 91 N HA 0.240 4.980 4.740 0.000 0.000 0.270 91 N C -2.425 172.901 175.510 -0.307 0.000 1.102 91 N CA -1.139 51.911 53.050 0.000 0.000 0.967 91 N CB 1.083 39.592 38.487 0.037 0.000 1.078 91 N HN 0.197 nan 8.380 nan 0.000 0.471 92 P HA 0.066 nan 4.420 nan 0.000 0.270 92 P C 0.380 177.103 177.300 -0.962 0.000 1.227 92 P CA 0.054 62.134 63.100 -1.701 0.000 0.788 92 P CB 0.765 31.769 31.700 -1.160 0.000 0.926 93 T N -1.021 112.989 114.554 -0.906 0.000 3.571 93 T HA 0.108 4.458 4.350 0.000 0.000 0.217 93 T C 0.478 175.232 174.700 0.090 0.000 0.925 93 T CA 0.140 62.193 62.100 -0.079 0.000 1.376 93 T CB -0.261 68.732 68.868 0.209 0.000 1.375 93 T HN 0.299 nan 8.240 nan 0.000 0.404 94 K N 1.254 121.832 120.400 0.297 0.000 2.154 94 K HA 0.454 4.774 4.320 0.000 0.000 0.264 94 K C -1.169 175.587 176.600 0.261 0.000 1.008 94 K CA -0.278 56.141 56.287 0.221 0.000 0.937 94 K CB 0.270 32.879 32.500 0.180 0.000 1.002 94 K HN 0.226 nan 8.250 nan 0.000 0.469 95 L N 4.474 125.790 121.223 0.155 0.000 2.322 95 L HA 0.447 4.787 4.340 0.000 0.000 0.281 95 L C -2.148 174.781 176.870 0.099 0.000 1.014 95 L CA -2.251 52.671 54.840 0.136 0.000 0.815 95 L CB 1.663 43.782 42.059 0.100 0.000 1.247 95 L HN 0.620 nan 8.230 nan 0.000 0.421 96 P HA 0.310 nan 4.420 nan 0.000 0.282 96 P C -1.156 176.231 177.300 0.145 0.000 1.259 96 P CA -0.449 62.717 63.100 0.110 0.000 0.826 96 P CB 0.715 32.460 31.700 0.075 0.000 1.064 97 F N 1.802 121.727 119.950 -0.041 0.000 2.404 97 F HA 0.416 4.943 4.527 0.000 0.000 0.345 97 F C -0.329 175.429 175.800 -0.070 0.000 1.110 97 F CA -0.493 57.470 58.000 -0.061 0.000 1.130 97 F CB 0.372 39.299 39.000 -0.122 0.000 1.129 97 F HN 0.039 nan 8.300 nan 0.000 0.500 98 I N 6.328 126.729 120.570 -0.281 0.000 2.465 98 I HA 0.448 4.618 4.170 0.000 0.000 0.291 98 I C -0.692 175.311 176.117 -0.190 0.000 1.014 98 I CA -0.793 60.411 61.300 -0.159 0.000 1.093 98 I CB 1.536 39.480 38.000 -0.094 0.000 1.267 98 I HN 0.329 nan 8.210 nan 0.000 0.431 99 I N 5.807 126.324 120.570 -0.089 0.000 2.436 99 I HA 0.489 4.659 4.170 0.000 0.000 0.289 99 I C -0.587 175.520 176.117 -0.017 0.000 1.010 99 I CA -0.509 60.762 61.300 -0.047 0.000 1.098 99 I CB 1.640 39.634 38.000 -0.010 0.000 1.266 99 I HN 0.441 nan 8.210 nan 0.000 0.434 100 M N 6.741 126.339 119.600 -0.003 0.000 2.336 100 M HA 0.479 4.959 4.480 0.000 0.000 0.342 100 M C -0.884 175.411 176.300 -0.009 0.000 1.128 100 M CA -0.507 54.796 55.300 0.006 0.000 1.016 100 M CB 1.889 34.507 32.600 0.030 0.000 1.665 100 M HN 0.352 nan 8.290 nan 0.000 0.445 101 L N 4.286 125.493 121.223 -0.027 0.000 2.313 101 L HA 0.361 4.702 4.340 0.000 0.000 0.273 101 L C -0.331 176.499 176.870 -0.066 0.000 1.028 101 L CA -0.832 53.974 54.840 -0.056 0.000 0.871 101 L CB 0.959 42.976 42.059 -0.070 0.000 1.242 101 L HN 0.536 nan 8.230 nan 0.000 0.434 102 V N 0.611 120.471 119.914 -0.089 0.000 2.221 102 V HA 0.595 4.715 4.120 0.000 0.000 0.258 102 V C 0.536 176.534 176.094 -0.160 0.000 1.179 102 V CA -0.434 61.804 62.300 -0.103 0.000 1.022 102 V CB 0.395 32.162 31.823 -0.093 0.000 1.228 102 V HN 0.639 nan 8.190 nan 0.000 0.487 103 G N 3.158 111.884 108.800 -0.125 0.000 2.335 103 G HA2 0.541 4.501 3.960 0.000 0.000 0.316 103 G HA3 0.541 4.501 3.960 0.000 0.000 0.316 103 G C -0.424 174.403 174.900 -0.121 0.000 1.129 103 G CA -0.659 44.359 45.100 -0.138 0.000 0.899 103 G HN 0.601 nan 8.290 nan 0.000 0.448 104 V N 3.237 123.069 119.914 -0.137 0.000 2.740 104 V HA 0.020 4.140 4.120 0.000 0.000 0.303 104 V C 1.084 177.067 176.094 -0.184 0.000 1.054 104 V CA -0.324 61.892 62.300 -0.140 0.000 1.106 104 V CB 1.478 33.227 31.823 -0.123 0.000 0.957 104 V HN 0.841 nan 8.190 nan 0.000 0.486 105 Q N 2.875 122.538 119.800 -0.227 0.000 2.342 105 Q HA -0.066 4.274 4.340 0.000 0.000 0.330 105 Q C 1.269 177.031 176.000 -0.396 0.000 1.117 105 Q CA 1.336 56.968 55.803 -0.284 0.000 1.010 105 Q CB 0.259 28.803 28.738 -0.323 0.000 1.204 105 Q HN 1.251 nan 8.270 nan 0.000 0.400 106 G N 2.628 111.281 108.800 -0.246 0.000 2.245 106 G HA2 -0.346 3.614 3.960 0.000 0.000 0.264 106 G HA3 -0.346 3.614 3.960 0.000 0.000 0.264 106 G C 0.726 175.592 174.900 -0.057 0.000 0.985 106 G CA 0.773 45.793 45.100 -0.134 0.000 0.625 106 G HN 0.665 nan 8.290 nan 0.000 0.536 107 S N 0.399 116.041 115.700 -0.096 0.000 2.603 107 S HA 0.382 4.852 4.470 0.000 0.000 0.220 107 S C 2.052 176.606 174.600 -0.076 0.000 0.967 107 S CA 1.462 59.617 58.200 -0.074 0.000 0.920 107 S CB -0.698 62.441 63.200 -0.101 0.000 0.773 107 S HN 2.284 nan 8.310 nan 0.000 0.529 108 G N 2.138 110.895 108.800 -0.070 0.000 2.198 108 G HA2 -0.348 3.612 3.960 0.000 0.000 0.260 108 G HA3 -0.348 3.612 3.960 0.000 0.000 0.260 108 G C 0.787 175.637 174.900 -0.083 0.000 1.025 108 G CA 0.783 45.842 45.100 -0.068 0.000 0.769 108 G HN 0.591 nan 8.290 nan 0.000 0.507 109 K N -0.516 119.829 120.400 -0.091 0.000 2.107 109 K HA -0.227 4.093 4.320 0.000 0.000 0.211 109 K C 2.235 178.781 176.600 -0.090 0.000 1.049 109 K CA 2.381 58.609 56.287 -0.098 0.000 0.927 109 K CB -0.389 32.055 32.500 -0.093 0.000 0.714 109 K HN 0.443 nan 8.250 nan 0.000 0.452 110 T N 0.058 114.564 114.554 -0.080 0.000 2.814 110 T HA -0.045 4.305 4.350 0.000 0.000 0.254 110 T C 1.844 176.505 174.700 -0.065 0.000 1.037 110 T CA 1.595 63.650 62.100 -0.075 0.000 1.143 110 T CB -0.401 68.423 68.868 -0.072 0.000 0.866 110 T HN 0.343 nan 8.240 nan 0.000 0.431 111 T N 2.052 116.570 114.554 -0.061 0.000 2.737 111 T HA -0.146 4.204 4.350 0.000 0.000 0.269 111 T C 2.203 176.863 174.700 -0.066 0.000 1.040 111 T CA 1.664 63.731 62.100 -0.056 0.000 1.142 111 T CB -0.719 68.118 68.868 -0.052 0.000 0.861 111 T HN 0.356 nan 8.240 nan 0.000 0.456 112 T N 1.749 116.253 114.554 -0.084 0.000 2.674 112 T HA -0.019 4.331 4.350 0.000 0.000 0.265 112 T C 2.419 177.055 174.700 -0.108 0.000 1.039 112 T CA 1.206 63.239 62.100 -0.113 0.000 1.150 112 T CB -0.616 68.170 68.868 -0.138 0.000 0.864 112 T HN 0.451 nan 8.240 nan 0.000 0.427 113 A N 1.213 123.979 122.820 -0.089 0.000 1.948 113 A HA -0.006 4.314 4.320 0.000 0.000 0.220 113 A C 2.484 180.052 177.584 -0.028 0.000 1.177 113 A CA 2.166 54.163 52.037 -0.065 0.000 0.636 113 A CB -1.381 17.584 19.000 -0.058 0.000 0.815 113 A HN 0.534 nan 8.150 nan 0.000 0.449 114 G N -0.530 108.257 108.800 -0.023 0.000 2.505 114 G HA2 -0.216 3.744 3.960 0.000 0.000 0.214 114 G HA3 -0.216 3.744 3.960 0.000 0.000 0.214 114 G C 1.580 176.505 174.900 0.042 0.000 1.237 114 G CA 1.018 46.127 45.100 0.014 0.000 0.802 114 G HN 0.530 nan 8.290 nan 0.000 0.549 115 K N -0.433 119.963 120.400 -0.007 0.000 2.189 115 K HA -0.161 4.159 4.320 0.000 0.000 0.207 115 K C 2.322 178.950 176.600 0.048 0.000 1.046 115 K CA 1.358 57.644 56.287 -0.002 0.000 0.928 115 K CB -0.259 32.207 32.500 -0.057 0.000 0.720 115 K HN 0.290 nan 8.250 nan 0.000 0.458 116 L N 0.104 121.306 121.223 -0.035 0.000 2.068 116 L HA 0.031 4.371 4.340 0.000 0.000 0.204 116 L C 2.029 178.995 176.870 0.160 0.000 1.076 116 L CA 1.705 56.488 54.840 -0.095 0.000 0.753 116 L CB -0.574 41.347 42.059 -0.230 0.000 0.910 116 L HN 0.084 nan 8.230 nan 0.000 0.439 117 A N -1.826 121.097 122.820 0.171 0.000 2.121 117 A HA -0.203 4.117 4.320 0.000 0.000 0.218 117 A C 2.151 179.884 177.584 0.249 0.000 1.154 117 A CA 1.380 53.551 52.037 0.223 0.000 0.679 117 A CB -0.956 18.108 19.000 0.107 0.000 0.795 117 A HN 0.671 nan 8.150 nan 0.000 0.458 118 Y N -1.342 119.033 120.300 0.125 0.000 2.231 118 Y HA -0.030 4.520 4.550 0.000 0.000 0.294 118 Y C 1.863 177.849 175.900 0.143 0.000 1.120 118 Y CA 1.446 59.610 58.100 0.107 0.000 1.141 118 Y CB -0.422 38.082 38.460 0.073 0.000 1.022 118 Y HN 0.305 nan 8.280 nan 0.000 0.523 119 F N 0.368 120.433 119.950 0.191 0.000 2.032 119 F HA -0.422 4.105 4.527 0.000 0.000 0.297 119 F C 1.805 177.566 175.800 -0.065 0.000 1.125 119 F CA 2.380 60.395 58.000 0.026 0.000 1.202 119 F CB -1.112 37.803 39.000 -0.142 0.000 0.958 119 F HN 0.131 nan 8.300 nan 0.000 0.491 120 Y N 0.587 121.049 120.300 0.271 0.000 2.274 120 Y HA -0.185 4.365 4.550 0.000 0.000 0.290 120 Y C 2.542 178.497 175.900 0.090 0.000 1.145 120 Y CA 1.791 59.967 58.100 0.127 0.000 1.203 120 Y CB -0.916 37.604 38.460 0.101 0.000 0.984 120 Y HN 0.212 nan 8.280 nan 0.000 0.533 121 K N 1.094 121.577 120.400 0.140 0.000 2.001 121 K HA -0.235 4.086 4.320 0.000 0.000 0.208 121 K C 2.184 178.714 176.600 -0.116 0.000 1.048 121 K CA 1.788 58.078 56.287 0.006 0.000 0.932 121 K CB -0.282 32.163 32.500 -0.091 0.000 0.715 121 K HN 0.123 nan 8.250 nan 0.000 0.437 122 K N 0.635 120.847 120.400 -0.313 0.000 2.281 122 K HA -0.164 4.156 4.320 0.000 0.000 0.203 122 K C 1.968 178.445 176.600 -0.205 0.000 1.046 122 K CA 1.262 57.341 56.287 -0.347 0.000 0.938 122 K CB 0.012 32.220 32.500 -0.487 0.000 0.737 122 K HN 0.130 nan 8.250 nan 0.000 0.458 123 R N -0.954 119.453 120.500 -0.154 0.000 2.359 123 R HA 0.032 4.372 4.340 0.000 0.000 0.231 123 R C 0.167 176.418 176.300 -0.082 0.000 0.913 123 R CA 0.734 56.764 56.100 -0.118 0.000 1.075 123 R CB 0.422 30.638 30.300 -0.139 0.000 1.087 123 R HN 0.338 nan 8.270 nan 0.000 0.515 124 G N -0.098 108.662 108.800 -0.067 0.000 2.131 124 G HA2 -0.260 3.700 3.960 0.000 0.000 0.201 124 G HA3 -0.260 3.700 3.960 0.000 0.000 0.201 124 G C -0.643 174.142 174.900 -0.192 0.000 1.000 124 G CA -0.123 44.885 45.100 -0.154 0.000 0.680 124 G HN 0.263 nan 8.290 nan 0.000 0.514 125 Y N -0.601 119.694 120.300 -0.007 0.000 2.654 125 Y HA 0.699 5.249 4.550 0.000 0.000 0.327 125 Y C 0.890 176.778 175.900 -0.019 0.000 1.122 125 Y CA -1.037 57.060 58.100 -0.005 0.000 1.227 125 Y CB 1.136 39.602 38.460 0.010 0.000 1.370 125 Y HN -0.064 nan 8.280 nan 0.000 0.528 126 K N 1.357 121.853 120.400 0.160 0.000 2.357 126 K HA 0.437 4.757 4.320 0.000 0.000 0.251 126 K C -1.405 175.197 176.600 0.004 0.000 1.069 126 K CA -0.277 56.043 56.287 0.056 0.000 0.994 126 K CB 0.617 33.142 32.500 0.041 0.000 1.411 126 K HN 0.304 nan 8.250 nan 0.000 0.450 127 V N 1.326 121.229 119.914 -0.018 0.000 2.732 127 V HA 0.469 4.589 4.120 0.000 0.000 0.297 127 V C 0.740 176.681 176.094 -0.255 0.000 1.060 127 V CA -0.604 61.638 62.300 -0.096 0.000 1.038 127 V CB 1.566 33.384 31.823 -0.008 0.000 1.003 127 V HN 0.821 nan 8.190 nan 0.000 0.481 128 G N 3.827 112.371 108.800 -0.427 0.000 2.744 128 G HA2 0.592 4.552 3.960 0.000 0.000 0.286 128 G HA3 0.592 4.552 3.960 0.000 0.000 0.286 128 G C -1.192 173.371 174.900 -0.562 0.000 1.497 128 G CA -0.613 43.926 45.100 -0.936 0.000 1.070 128 G HN 0.586 nan 8.290 nan 0.000 0.539 129 L N 2.580 123.643 121.223 -0.266 0.000 2.260 129 L HA 0.355 4.695 4.340 0.000 0.000 0.289 129 L C -0.142 176.844 176.870 0.194 0.000 1.057 129 L CA -0.836 53.995 54.840 -0.014 0.000 0.811 129 L CB 1.616 43.685 42.059 0.016 0.000 1.184 129 L HN 0.146 nan 8.230 nan 0.000 0.429 130 V N 3.713 123.746 119.914 0.198 0.000 2.333 130 V HA 0.284 4.404 4.120 0.000 0.000 0.274 130 V C 0.717 176.860 176.094 0.082 0.000 1.028 130 V CA -0.559 61.895 62.300 0.258 0.000 0.851 130 V CB 1.343 33.325 31.823 0.264 0.000 1.000 130 V HN 0.843 nan 8.190 nan 0.000 0.456 131 A N 4.411 127.242 122.820 0.019 0.000 2.906 131 A HA 0.574 4.894 4.320 0.000 0.000 0.289 131 A C 1.222 178.700 177.584 -0.176 0.000 1.675 131 A CA 0.333 52.282 52.037 -0.146 0.000 1.372 131 A CB -0.069 18.794 19.000 -0.228 0.000 1.091 131 A HN 1.157 nan 8.150 nan 0.000 0.579 132 A N 2.433 125.177 122.820 -0.127 0.000 2.415 132 A HA 0.181 4.502 4.320 0.000 0.000 0.248 132 A C 0.581 178.059 177.584 -0.177 0.000 1.299 132 A CA 0.003 51.978 52.037 -0.104 0.000 0.899 132 A CB -0.239 18.733 19.000 -0.046 0.000 0.997 132 A HN 0.776 nan 8.150 nan 0.000 0.506 133 D N 0.916 121.136 120.400 -0.301 0.000 2.441 133 D HA 0.086 4.726 4.640 0.000 0.000 0.243 133 D C 0.624 176.756 176.300 -0.280 0.000 1.257 133 D CA -0.111 53.704 54.000 -0.307 0.000 1.027 133 D CB 0.815 41.394 40.800 -0.369 0.000 1.084 133 D HN 0.063 nan 8.370 nan 0.000 0.514 134 V N 1.924 121.715 119.914 -0.205 0.000 2.446 134 V HA -0.223 3.897 4.120 0.000 0.000 0.244 134 V C 1.345 177.369 176.094 -0.117 0.000 1.039 134 V CA 0.860 63.066 62.300 -0.156 0.000 1.045 134 V CB -0.845 30.752 31.823 -0.377 0.000 0.681 134 V HN 0.462 nan 8.190 nan 0.000 0.459 135 Y N 0.553 120.872 120.300 0.032 0.000 2.680 135 Y HA 0.138 4.688 4.550 0.000 0.000 0.303 135 Y C 1.310 177.228 175.900 0.031 0.000 1.166 135 Y CA 0.294 58.409 58.100 0.025 0.000 1.344 135 Y CB -0.225 38.235 38.460 0.000 0.000 1.002 135 Y HN 0.160 nan 8.280 nan 0.000 0.537 136 R N 0.776 121.367 120.500 0.151 0.000 2.512 136 R HA 0.296 4.636 4.340 0.000 0.000 0.291 136 R C -2.613 173.814 176.300 0.210 0.000 1.097 136 R CA -2.163 54.013 56.100 0.125 0.000 0.940 136 R CB 1.176 31.512 30.300 0.060 0.000 1.198 136 R HN -0.207 nan 8.270 nan 0.000 0.429 137 P HA -0.010 nan 4.420 nan 0.000 0.219 137 P C 0.712 178.166 177.300 0.256 0.000 1.154 137 P CA 0.932 64.221 63.100 0.315 0.000 0.826 137 P CB 0.343 32.093 31.700 0.082 0.000 0.795 138 A N 0.750 123.648 122.820 0.131 0.000 2.019 138 A HA -0.026 4.294 4.320 0.000 0.000 0.219 138 A C 2.439 180.068 177.584 0.075 0.000 1.164 138 A CA 1.836 53.923 52.037 0.083 0.000 0.644 138 A CB -1.417 17.612 19.000 0.048 0.000 0.805 138 A HN 0.234 nan 8.150 nan 0.000 0.449 139 A N -1.284 121.573 122.820 0.062 0.000 1.930 139 A HA -0.023 4.297 4.320 0.000 0.000 0.217 139 A C 2.004 179.571 177.584 -0.028 0.000 1.175 139 A CA 1.375 53.400 52.037 -0.019 0.000 0.627 139 A CB -0.725 18.220 19.000 -0.090 0.000 0.815 139 A HN 0.563 nan 8.150 nan 0.000 0.443 140 Y N 0.282 120.570 120.300 -0.020 0.000 2.070 140 Y HA -0.278 4.272 4.550 0.000 0.000 0.280 140 Y C 2.387 178.278 175.900 -0.015 0.000 1.148 140 Y CA 2.005 60.090 58.100 -0.024 0.000 1.125 140 Y CB -0.637 37.803 38.460 -0.035 0.000 0.975 140 Y HN 0.564 nan 8.280 nan 0.000 0.492 141 D N -0.346 120.156 120.400 0.171 0.000 2.182 141 D HA -0.296 4.344 4.640 0.000 0.000 0.193 141 D C 2.120 178.454 176.300 0.057 0.000 0.999 141 D CA 1.983 56.037 54.000 0.089 0.000 0.850 141 D CB -0.442 40.395 40.800 0.061 0.000 0.994 141 D HN 0.160 nan 8.370 nan 0.000 0.450 142 Q N -0.866 118.958 119.800 0.039 0.000 2.217 142 Q HA -0.136 4.205 4.340 0.000 0.000 0.209 142 Q C 1.976 177.982 176.000 0.011 0.000 0.988 142 Q CA 1.124 56.938 55.803 0.018 0.000 0.878 142 Q CB -0.692 28.050 28.738 0.007 0.000 0.909 142 Q HN 0.457 nan 8.270 nan 0.000 0.424 143 L N -0.437 120.790 121.223 0.006 0.000 1.948 143 L HA -0.111 4.230 4.340 0.000 0.000 0.212 143 L C 1.968 178.850 176.870 0.020 0.000 1.074 143 L CA 1.797 56.633 54.840 -0.007 0.000 0.753 143 L CB -0.962 41.068 42.059 -0.049 0.000 0.888 143 L HN 0.363 nan 8.230 nan 0.000 0.432 144 L N -0.993 120.254 121.223 0.040 0.000 2.261 144 L HA -0.240 4.100 4.340 0.000 0.000 0.216 144 L C 2.508 179.406 176.870 0.047 0.000 1.114 144 L CA 0.927 55.799 54.840 0.054 0.000 0.777 144 L CB -0.787 41.314 42.059 0.070 0.000 0.910 144 L HN 0.510 nan 8.230 nan 0.000 0.440 145 Q N 0.518 120.341 119.800 0.038 0.000 1.965 145 Q HA -0.206 4.134 4.340 0.000 0.000 0.200 145 Q C 2.311 178.329 176.000 0.030 0.000 0.981 145 Q CA 1.785 57.607 55.803 0.031 0.000 0.834 145 Q CB -0.275 28.478 28.738 0.024 0.000 0.900 145 Q HN 0.529 nan 8.270 nan 0.000 0.426 146 L N -1.606 119.631 121.223 0.023 0.000 2.191 146 L HA 0.058 4.399 4.340 0.000 0.000 0.212 146 L C 1.955 178.850 176.870 0.042 0.000 1.103 146 L CA 2.115 56.968 54.840 0.022 0.000 0.769 146 L CB -1.349 40.714 42.059 0.005 0.000 0.908 146 L HN 0.079 nan 8.230 nan 0.000 0.438 147 G N 0.430 109.257 108.800 0.045 0.000 2.433 147 G HA2 -0.278 3.682 3.960 0.000 0.000 0.216 147 G HA3 -0.278 3.682 3.960 0.000 0.000 0.216 147 G C 1.419 176.359 174.900 0.067 0.000 1.186 147 G CA 0.911 46.047 45.100 0.059 0.000 0.779 147 G HN 0.505 nan 8.290 nan 0.000 0.543 148 N N 0.351 119.087 118.700 0.060 0.000 2.244 148 N HA -0.094 4.647 4.740 0.000 0.000 0.183 148 N C 2.099 177.645 175.510 0.059 0.000 1.016 148 N CA 0.814 53.900 53.050 0.059 0.000 0.866 148 N CB -0.367 38.150 38.487 0.051 0.000 0.980 148 N HN 0.499 nan 8.380 nan 0.000 0.430 149 Q N 0.750 120.584 119.800 0.056 0.000 2.541 149 Q HA -0.022 4.318 4.340 0.000 0.000 0.215 149 Q C 1.167 177.219 176.000 0.088 0.000 0.977 149 Q CA 0.585 56.422 55.803 0.057 0.000 0.934 149 Q CB 0.009 28.771 28.738 0.040 0.000 0.988 149 Q HN 0.582 nan 8.270 nan 0.000 0.521 150 I N -5.560 115.073 120.570 0.106 0.000 4.026 150 I HA 0.437 4.607 4.170 0.000 0.000 0.324 150 I C 0.468 176.650 176.117 0.108 0.000 1.474 150 I CA 0.052 61.446 61.300 0.157 0.000 1.107 150 I CB 0.646 38.800 38.000 0.257 0.000 1.345 150 I HN 0.027 nan 8.210 nan 0.000 0.531 151 G N 2.254 111.101 108.800 0.078 0.000 2.359 151 G HA2 -0.153 3.807 3.960 0.000 0.000 0.298 151 G HA3 -0.153 3.807 3.960 0.000 0.000 0.298 151 G C -0.437 174.494 174.900 0.051 0.000 1.030 151 G CA 0.387 45.522 45.100 0.058 0.000 1.149 151 G HN 0.447 nan 8.290 nan 0.000 0.512 152 V N 0.788 120.738 119.914 0.059 0.000 2.733 152 V HA 0.387 4.507 4.120 0.000 0.000 0.306 152 V C 0.323 176.460 176.094 0.071 0.000 1.084 152 V CA -0.959 61.367 62.300 0.044 0.000 0.905 152 V CB 1.991 33.836 31.823 0.036 0.000 1.010 152 V HN 0.575 nan 8.190 nan 0.000 0.424 153 Q N 2.132 121.986 119.800 0.089 0.000 2.340 153 Q HA 0.615 4.955 4.340 0.000 0.000 0.249 153 Q C -0.971 175.188 176.000 0.265 0.000 0.957 153 Q CA -0.384 55.543 55.803 0.207 0.000 0.882 153 Q CB 1.946 30.897 28.738 0.355 0.000 1.235 153 Q HN 0.609 nan 8.270 nan 0.000 0.439 154 V N 2.328 122.427 119.914 0.308 0.000 2.439 154 V HA 0.118 4.238 4.120 0.000 0.000 0.277 154 V C -0.979 175.304 176.094 0.315 0.000 1.008 154 V CA -0.991 61.487 62.300 0.297 0.000 0.846 154 V CB -0.066 31.846 31.823 0.149 0.000 1.031 154 V HN 0.650 nan 8.190 nan 0.000 0.441 155 Y N 2.989 123.451 120.300 0.269 0.000 2.480 155 Y HA 0.601 5.151 4.550 0.000 0.000 0.338 155 Y C 0.672 176.626 175.900 0.090 0.000 1.220 155 Y CA 0.865 59.005 58.100 0.066 0.000 1.430 155 Y CB 1.215 39.600 38.460 -0.126 0.000 1.311 155 Y HN 0.855 nan 8.280 nan 0.000 0.575 156 G N 5.017 113.336 108.800 -0.801 0.000 2.380 156 G HA2 0.290 4.250 3.960 0.000 0.000 0.305 156 G HA3 0.290 4.250 3.960 0.000 0.000 0.305 156 G C -2.044 172.611 174.900 -0.409 0.000 1.672 156 G CA -0.955 43.821 45.100 -0.540 0.000 0.904 156 G HN 0.457 nan 8.290 nan 0.000 0.686 157 E N 2.239 122.244 120.200 -0.324 0.000 2.402 157 E HA 0.315 4.666 4.350 0.000 0.000 0.244 157 E C -2.552 173.929 176.600 -0.199 0.000 0.945 157 E CA -1.471 54.800 56.400 -0.215 0.000 0.774 157 E CB 2.503 32.103 29.700 -0.167 0.000 1.296 157 E HN 0.251 nan 8.360 nan 0.000 0.414 158 P HA -0.067 nan 4.420 nan 0.000 0.266 158 P C 0.143 177.260 177.300 -0.306 0.000 1.186 158 P CA 0.325 63.055 63.100 -0.617 0.000 0.767 158 P CB 0.407 31.677 31.700 -0.716 0.000 0.820 159 N N 0.477 119.026 118.700 -0.252 0.000 2.741 159 N HA -0.201 4.539 4.740 0.000 0.000 0.251 159 N C 0.407 175.868 175.510 -0.081 0.000 1.112 159 N CA 0.846 53.820 53.050 -0.128 0.000 0.750 159 N CB -2.042 36.374 38.487 -0.118 0.000 1.119 159 N HN 0.614 nan 8.380 nan 0.000 0.561 160 N N 0.471 119.128 118.700 -0.071 0.000 2.459 160 N HA -0.092 4.648 4.740 0.000 0.000 0.181 160 N C 0.425 175.913 175.510 -0.037 0.000 1.046 160 N CA 0.467 53.490 53.050 -0.045 0.000 0.904 160 N CB -0.015 38.451 38.487 -0.035 0.000 0.964 160 N HN 0.231 nan 8.380 nan 0.000 0.444 161 Q N -0.559 119.214 119.800 -0.045 0.000 2.315 161 Q HA -0.231 4.109 4.340 0.000 0.000 0.221 161 Q C -0.945 175.018 176.000 -0.062 0.000 0.780 161 Q CA 0.894 56.665 55.803 -0.053 0.000 1.357 161 Q CB -1.153 27.571 28.738 -0.023 0.000 1.766 161 Q HN 0.321 nan 8.270 nan 0.000 0.613 162 N N -1.130 117.538 118.700 -0.053 0.000 2.607 162 N HA 0.238 4.978 4.740 0.000 0.000 0.271 162 N C -2.201 173.285 175.510 -0.039 0.000 1.142 162 N CA -1.684 51.340 53.050 -0.043 0.000 0.810 162 N CB 1.371 39.847 38.487 -0.018 0.000 1.306 162 N HN -0.208 nan 8.380 nan 0.000 0.536 163 P HA -0.087 nan 4.420 nan 0.000 0.217 163 P C 1.616 178.912 177.300 -0.008 0.000 1.154 163 P CA 0.849 63.920 63.100 -0.047 0.000 0.841 163 P CB 0.179 31.820 31.700 -0.097 0.000 0.788 164 I N -1.173 119.394 120.570 -0.006 0.000 2.300 164 I HA -0.242 3.928 4.170 0.000 0.000 0.252 164 I C 2.411 178.541 176.117 0.020 0.000 1.119 164 I CA 1.912 63.218 61.300 0.011 0.000 1.384 164 I CB -1.089 36.917 38.000 0.010 0.000 1.062 164 I HN -0.063 nan 8.210 nan 0.000 0.426 165 E N 1.571 121.783 120.200 0.021 0.000 2.076 165 E HA -0.104 4.246 4.350 0.000 0.000 0.190 165 E C 2.323 178.967 176.600 0.072 0.000 0.979 165 E CA 0.980 57.400 56.400 0.034 0.000 0.807 165 E CB -0.041 29.675 29.700 0.027 0.000 0.761 165 E HN 0.616 nan 8.360 nan 0.000 0.454 166 I N 1.187 121.804 120.570 0.079 0.000 2.208 166 I HA -0.312 3.858 4.170 0.000 0.000 0.245 166 I C 2.522 178.752 176.117 0.188 0.000 1.097 166 I CA 1.024 62.412 61.300 0.148 0.000 1.363 166 I CB -0.444 37.585 38.000 0.050 0.000 1.051 166 I HN 0.197 nan 8.210 nan 0.000 0.413 167 A N 1.070 123.951 122.820 0.102 0.000 1.829 167 A HA -0.239 4.081 4.320 0.000 0.000 0.216 167 A C 2.342 179.967 177.584 0.069 0.000 1.207 167 A CA 1.722 53.813 52.037 0.089 0.000 0.622 167 A CB -0.677 18.355 19.000 0.053 0.000 0.846 167 A HN 0.250 nan 8.150 nan 0.000 0.447 168 K N -0.223 120.200 120.400 0.038 0.000 2.127 168 K HA -0.210 4.110 4.320 0.000 0.000 0.208 168 K C 2.133 178.721 176.600 -0.019 0.000 1.047 168 K CA 1.884 58.176 56.287 0.008 0.000 0.927 168 K CB -0.233 32.267 32.500 -0.001 0.000 0.716 168 K HN 0.480 nan 8.250 nan 0.000 0.450 169 K N -0.557 119.842 120.400 -0.001 0.000 2.001 169 K HA -0.085 4.235 4.320 0.000 0.000 0.208 169 K C 2.316 178.739 176.600 -0.296 0.000 1.048 169 K CA 1.349 57.579 56.287 -0.095 0.000 0.932 169 K CB -0.258 32.260 32.500 0.029 0.000 0.715 169 K HN 0.224 nan 8.250 nan 0.000 0.437 170 G N 0.837 109.547 108.800 -0.151 0.000 2.408 170 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 170 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 170 G C 1.527 176.339 174.900 -0.145 0.000 1.150 170 G CA 0.385 45.343 45.100 -0.238 0.000 0.776 170 G HN 0.159 nan 8.290 nan 0.000 0.542 171 V N 0.838 120.763 119.914 0.018 0.000 2.407 171 V HA -0.067 4.053 4.120 0.000 0.000 0.245 171 V C 2.330 178.436 176.094 0.019 0.000 1.041 171 V CA 2.171 64.528 62.300 0.095 0.000 1.040 171 V CB -0.211 31.660 31.823 0.080 0.000 0.671 171 V HN 0.270 nan 8.190 nan 0.000 0.455 172 D N -0.174 120.196 120.400 -0.050 0.000 2.263 172 D HA -0.145 4.495 4.640 0.000 0.000 0.208 172 D C 1.889 178.123 176.300 -0.109 0.000 0.971 172 D CA 1.609 55.571 54.000 -0.064 0.000 0.867 172 D CB 0.010 40.768 40.800 -0.071 0.000 0.929 172 D HN 0.548 nan 8.370 nan 0.000 0.492 173 I N -0.640 119.793 120.570 -0.227 0.000 2.584 173 I HA -0.154 4.016 4.170 0.000 0.000 0.255 173 I C 1.053 177.035 176.117 -0.224 0.000 1.145 173 I CA 0.553 61.668 61.300 -0.309 0.000 1.462 173 I CB 0.045 37.701 38.000 -0.574 0.000 1.102 173 I HN -0.246 nan 8.210 nan 0.000 0.433 174 F N 0.711 120.621 119.950 -0.066 0.000 2.795 174 F HA 0.048 4.575 4.527 0.000 0.000 0.303 174 F C 1.688 177.480 175.800 -0.014 0.000 1.186 174 F CA 0.428 58.413 58.000 -0.025 0.000 1.415 174 F CB -0.417 38.581 39.000 -0.004 0.000 1.106 174 F HN -0.083 nan 8.300 nan 0.000 0.558 175 V N -1.002 118.984 119.914 0.120 0.000 3.647 175 V HA -0.044 4.076 4.120 0.000 0.000 0.279 175 V C 2.217 178.344 176.094 0.055 0.000 1.314 175 V CA 0.388 62.736 62.300 0.079 0.000 1.125 175 V CB -0.163 31.684 31.823 0.039 0.000 0.907 175 V HN 0.218 nan 8.190 nan 0.000 0.434 176 K N 1.565 121.993 120.400 0.047 0.000 1.980 176 K HA -0.138 4.182 4.320 0.000 0.000 0.208 176 K C 1.469 178.100 176.600 0.053 0.000 1.043 176 K CA 1.647 57.950 56.287 0.027 0.000 0.938 176 K CB -0.142 32.355 32.500 -0.004 0.000 0.724 176 K HN 0.390 nan 8.250 nan 0.000 0.438 177 N N 1.929 120.684 118.700 0.091 0.000 2.575 177 N HA -0.106 4.634 4.740 0.000 0.000 0.192 177 N C -0.044 175.509 175.510 0.072 0.000 1.200 177 N CA 0.483 53.584 53.050 0.084 0.000 0.897 177 N CB 0.028 38.581 38.487 0.111 0.000 0.990 177 N HN 0.321 nan 8.380 nan 0.000 0.449 178 K N -0.013 120.431 120.400 0.073 0.000 3.069 178 K HA -0.223 4.097 4.320 0.000 0.000 0.267 178 K C -0.598 176.043 176.600 0.068 0.000 1.082 178 K CA 0.148 56.472 56.287 0.063 0.000 0.782 178 K CB -1.173 31.354 32.500 0.045 0.000 1.230 178 K HN 0.089 nan 8.250 nan 0.000 0.488 179 M N 1.274 120.924 119.600 0.084 0.000 2.219 179 M HA -0.113 4.367 4.480 0.000 0.000 0.340 179 M C 1.248 177.580 176.300 0.054 0.000 1.135 179 M CA 1.015 56.346 55.300 0.052 0.000 0.976 179 M CB 0.383 32.992 32.600 0.015 0.000 1.713 179 M HN 0.110 nan 8.290 nan 0.000 0.457 180 D N 1.977 122.413 120.400 0.061 0.000 2.162 180 D HA 0.179 4.819 4.640 0.000 0.000 0.205 180 D C 0.311 176.641 176.300 0.050 0.000 0.964 180 D CA 1.224 55.282 54.000 0.096 0.000 0.847 180 D CB 0.207 41.126 40.800 0.198 0.000 0.988 180 D HN 0.434 nan 8.370 nan 0.000 0.480 181 I N 0.731 121.283 120.570 -0.030 0.000 2.608 181 I HA 0.341 4.511 4.170 0.000 0.000 0.295 181 I C -0.824 175.218 176.117 -0.125 0.000 1.049 181 I CA -0.752 60.479 61.300 -0.114 0.000 1.063 181 I CB 2.680 40.477 38.000 -0.338 0.000 1.248 181 I HN -0.324 nan 8.210 nan 0.000 0.424 182 I N 6.400 126.914 120.570 -0.093 0.000 2.439 182 I HA 0.306 4.476 4.170 0.000 0.000 0.283 182 I C -0.585 175.495 176.117 -0.060 0.000 1.023 182 I CA -0.435 60.809 61.300 -0.095 0.000 1.100 182 I CB 1.659 39.661 38.000 0.004 0.000 1.238 182 I HN 0.265 nan 8.210 nan 0.000 0.445 183 I N 7.512 128.041 120.570 -0.067 0.000 2.269 183 I HA 0.168 4.338 4.170 0.000 0.000 0.293 183 I C 0.145 176.262 176.117 0.000 0.000 1.106 183 I CA -0.420 60.862 61.300 -0.030 0.000 1.248 183 I CB 0.822 38.808 38.000 -0.024 0.000 1.444 183 I HN 0.168 nan 8.210 nan 0.000 0.497 184 V N 5.957 125.878 119.914 0.011 0.000 2.322 184 V HA 0.045 4.166 4.120 0.000 0.000 0.258 184 V C 0.486 176.577 176.094 -0.004 0.000 1.074 184 V CA -0.518 61.797 62.300 0.025 0.000 0.909 184 V CB 0.818 32.665 31.823 0.040 0.000 1.090 184 V HN 0.613 nan 8.190 nan 0.000 0.486 185 D N 4.601 124.988 120.400 -0.023 0.000 2.416 185 D HA 0.067 4.707 4.640 0.000 0.000 0.240 185 D C 0.788 177.053 176.300 -0.058 0.000 1.250 185 D CA -0.105 53.864 54.000 -0.051 0.000 0.967 185 D CB 0.667 41.422 40.800 -0.075 0.000 1.059 185 D HN 0.623 nan 8.370 nan 0.000 0.512 186 T N 1.072 115.603 114.554 -0.037 0.000 2.907 186 T HA 0.523 4.873 4.350 0.000 0.000 0.298 186 T C 0.585 175.268 174.700 -0.029 0.000 1.017 186 T CA -0.754 61.327 62.100 -0.031 0.000 1.118 186 T CB 1.211 70.079 68.868 0.000 0.000 0.948 186 T HN 0.435 nan 8.240 nan 0.000 0.531 187 A N 2.461 125.254 122.820 -0.046 0.000 2.540 187 A HA 0.524 4.844 4.320 0.000 0.000 0.239 187 A C 0.897 178.607 177.584 0.210 0.000 1.061 187 A CA -0.064 51.984 52.037 0.019 0.000 0.758 187 A CB -0.536 18.327 19.000 -0.228 0.000 0.991 187 A HN 1.363 nan 8.150 nan 0.000 0.502 188 G N 1.896 110.818 108.800 0.204 0.000 2.437 188 G HA2 0.521 4.481 3.960 0.000 0.000 0.315 188 G HA3 0.521 4.481 3.960 0.000 0.000 0.315 188 G C -0.061 174.868 174.900 0.049 0.000 1.210 188 G CA -0.536 44.626 45.100 0.103 0.000 0.943 188 G HN 0.910 nan 8.290 nan 0.000 0.471 189 R N 0.684 121.103 120.500 -0.136 0.000 2.843 189 R HA 0.490 4.830 4.340 0.000 0.000 0.232 189 R C 0.601 176.822 176.300 -0.132 0.000 1.305 189 R CA -0.797 55.061 56.100 -0.404 0.000 1.096 189 R CB 0.603 30.287 30.300 -1.027 0.000 1.455 189 R HN 0.763 nan 8.270 nan 0.000 0.520 190 H N -0.952 117.951 119.070 -0.278 0.000 2.992 190 H HA -0.210 4.346 4.556 0.000 0.000 0.266 190 H C 0.850 176.089 175.328 -0.147 0.000 1.200 190 H CA 0.143 56.087 56.048 -0.174 0.000 1.135 190 H CB -0.949 28.734 29.762 -0.132 0.000 1.282 190 H HN 1.016 nan 8.280 nan 0.000 0.351 191 G N -0.003 108.719 108.800 -0.131 0.000 2.672 191 G HA2 -0.425 3.535 3.960 0.000 0.000 0.356 191 G HA3 -0.425 3.535 3.960 0.000 0.000 0.356 191 G C 0.507 175.238 174.900 -0.283 0.000 1.312 191 G CA 1.522 46.474 45.100 -0.247 0.000 0.980 191 G HN 0.423 nan 8.290 nan 0.000 0.540 192 Y N 1.064 121.333 120.300 -0.052 0.000 2.397 192 Y HA 0.325 4.875 4.550 0.000 0.000 0.292 192 Y C 2.731 178.605 175.900 -0.044 0.000 1.115 192 Y CA 0.754 58.828 58.100 -0.042 0.000 1.208 192 Y CB -0.259 38.175 38.460 -0.043 0.000 1.046 192 Y HN 0.538 nan 8.280 nan 0.000 0.552 193 G N 0.949 109.782 108.800 0.055 0.000 3.316 193 G HA2 0.142 4.102 3.960 0.000 0.000 0.255 193 G HA3 0.142 4.102 3.960 0.000 0.000 0.255 193 G C 0.503 175.385 174.900 -0.029 0.000 0.880 193 G CA -0.201 44.885 45.100 -0.022 0.000 1.956 193 G HN 0.447 nan 8.290 nan 0.000 0.634 194 E N 0.779 121.042 120.200 0.105 0.000 2.072 194 E HA -0.029 4.321 4.350 0.000 0.000 0.191 194 E C 1.322 178.111 176.600 0.315 0.000 0.985 194 E CA 0.756 57.308 56.400 0.254 0.000 0.801 194 E CB 0.033 29.792 29.700 0.098 0.000 0.750 194 E HN 0.338 nan 8.360 nan 0.000 0.452 195 E N -0.672 119.624 120.200 0.160 0.000 3.132 195 E HA -0.235 4.115 4.350 0.000 0.000 0.362 195 E C 0.862 177.502 176.600 0.066 0.000 1.473 195 E CA 2.193 58.660 56.400 0.112 0.000 1.471 195 E CB -1.750 28.038 29.700 0.148 0.000 1.727 195 E HN 0.457 nan 8.360 nan 0.000 0.509 196 T N -0.218 114.355 114.554 0.032 0.000 3.132 196 T HA 0.225 4.575 4.350 0.000 0.000 0.274 196 T C 1.136 175.800 174.700 -0.061 0.000 1.011 196 T CA 0.432 62.532 62.100 0.001 0.000 0.899 196 T CB 0.653 69.526 68.868 0.009 0.000 1.089 196 T HN 0.198 nan 8.240 nan 0.000 0.543 197 K N 2.483 122.786 120.400 -0.163 0.000 1.978 197 K HA 0.085 4.405 4.320 0.000 0.000 0.214 197 K C 1.826 178.321 176.600 -0.175 0.000 1.049 197 K CA 1.450 57.546 56.287 -0.318 0.000 0.939 197 K CB -0.884 31.089 32.500 -0.878 0.000 0.721 197 K HN 0.305 nan 8.250 nan 0.000 0.441 198 L N 0.518 121.664 121.223 -0.128 0.000 2.191 198 L HA -0.134 4.206 4.340 0.000 0.000 0.212 198 L C 2.191 179.058 176.870 -0.004 0.000 1.103 198 L CA 0.863 55.672 54.840 -0.053 0.000 0.769 198 L CB -0.271 41.761 42.059 -0.045 0.000 0.908 198 L HN 0.260 nan 8.230 nan 0.000 0.438 199 L N -0.713 120.514 121.223 0.006 0.000 2.131 199 L HA -0.214 4.127 4.340 0.000 0.000 0.210 199 L C 2.505 179.392 176.870 0.028 0.000 1.092 199 L CA 0.965 55.831 54.840 0.043 0.000 0.759 199 L CB -0.417 41.671 42.059 0.049 0.000 0.903 199 L HN 0.249 nan 8.230 nan 0.000 0.435 200 E N 0.906 121.108 120.200 0.004 0.000 2.028 200 E HA -0.254 4.096 4.350 0.000 0.000 0.190 200 E C 2.027 178.639 176.600 0.021 0.000 0.984 200 E CA 1.317 57.721 56.400 0.007 0.000 0.800 200 E CB -0.050 29.642 29.700 -0.013 0.000 0.758 200 E HN 0.357 nan 8.360 nan 0.000 0.448 201 E N -0.489 119.722 120.200 0.018 0.000 2.267 201 E HA -0.233 4.117 4.350 0.000 0.000 0.197 201 E C 1.946 178.579 176.600 0.055 0.000 0.998 201 E CA 1.248 57.675 56.400 0.045 0.000 0.830 201 E CB -0.124 29.618 29.700 0.070 0.000 0.751 201 E HN 0.405 nan 8.360 nan 0.000 0.491 202 M N 0.197 119.829 119.600 0.054 0.000 2.102 202 M HA -0.103 4.377 4.480 0.000 0.000 0.259 202 M C 1.942 178.294 176.300 0.087 0.000 1.083 202 M CA 1.327 56.669 55.300 0.070 0.000 1.141 202 M CB 0.049 32.695 32.600 0.076 0.000 1.318 202 M HN -0.140 nan 8.290 nan 0.000 0.421 203 K N 0.343 120.786 120.400 0.073 0.000 2.293 203 K HA -0.265 4.055 4.320 0.000 0.000 0.204 203 K C 1.777 178.447 176.600 0.118 0.000 1.045 203 K CA 1.959 58.306 56.287 0.099 0.000 0.933 203 K CB -0.258 32.279 32.500 0.062 0.000 0.736 203 K HN 0.578 nan 8.250 nan 0.000 0.463 204 E N 0.746 120.995 120.200 0.082 0.000 1.999 204 E HA -0.184 4.166 4.350 0.000 0.000 0.194 204 E C 2.073 178.719 176.600 0.076 0.000 0.995 204 E CA 0.834 57.272 56.400 0.064 0.000 0.825 204 E CB 0.015 29.743 29.700 0.047 0.000 0.777 204 E HN 0.042 nan 8.360 nan 0.000 0.459 205 M N 0.080 119.729 119.600 0.082 0.000 2.116 205 M HA -0.258 4.222 4.480 0.000 0.000 0.255 205 M C 2.273 178.646 176.300 0.122 0.000 1.075 205 M CA 1.719 57.069 55.300 0.084 0.000 1.087 205 M CB -1.021 31.629 32.600 0.083 0.000 1.340 205 M HN 0.395 nan 8.290 nan 0.000 0.402 206 Y N 0.369 120.669 120.300 0.000 0.000 2.181 206 Y HA -0.308 4.242 4.550 0.000 0.000 0.288 206 Y C 2.328 178.220 175.900 -0.014 0.000 1.146 206 Y CA 1.649 59.743 58.100 -0.009 0.000 1.164 206 Y CB -0.042 38.412 38.460 -0.009 0.000 0.982 206 Y HN 0.258 nan 8.280 nan 0.000 0.515 207 D N -0.671 119.733 120.400 0.007 0.000 2.097 207 D HA -0.165 4.475 4.640 0.000 0.000 0.197 207 D C 2.211 178.459 176.300 -0.087 0.000 0.984 207 D CA 1.396 55.345 54.000 -0.085 0.000 0.826 207 D CB -0.223 40.570 40.800 -0.012 0.000 0.973 207 D HN 0.246 nan 8.370 nan 0.000 0.460 208 V N 0.980 120.873 119.914 -0.035 0.000 2.229 208 V HA -0.182 3.938 4.120 0.000 0.000 0.243 208 V C 2.709 178.777 176.094 -0.043 0.000 1.042 208 V CA 1.350 63.632 62.300 -0.030 0.000 1.000 208 V CB -0.494 31.326 31.823 -0.004 0.000 0.637 208 V HN 0.223 nan 8.190 nan 0.000 0.446 209 L N 0.001 121.206 121.223 -0.029 0.000 2.131 209 L HA 0.017 4.357 4.340 0.000 0.000 0.206 209 L C 1.273 178.099 176.870 -0.073 0.000 1.087 209 L CA 0.982 55.805 54.840 -0.028 0.000 0.767 209 L CB 0.007 42.072 42.059 0.009 0.000 0.917 209 L HN 0.499 nan 8.230 nan 0.000 0.441 210 K N 0.906 121.222 120.400 -0.139 0.000 4.387 210 K HA -0.128 4.192 4.320 0.000 0.000 0.290 210 K C -2.457 174.050 176.600 -0.156 0.000 0.936 210 K CA 0.495 56.606 56.287 -0.294 0.000 0.890 210 K CB -1.507 30.823 32.500 -0.284 0.000 1.617 210 K HN 0.281 nan 8.250 nan 0.000 0.437 211 P HA 0.276 nan 4.420 nan 0.000 0.284 211 P C -0.137 177.150 177.300 -0.021 0.000 1.287 211 P CA -0.387 62.704 63.100 -0.015 0.000 0.824 211 P CB 0.954 32.668 31.700 0.022 0.000 1.180 212 D N -1.213 119.066 120.400 -0.202 0.000 2.234 212 D HA -0.017 4.623 4.640 0.000 0.000 0.205 212 D C -0.200 175.887 176.300 -0.355 0.000 0.962 212 D CA 1.513 55.283 54.000 -0.382 0.000 0.855 212 D CB 0.311 40.588 40.800 -0.872 0.000 0.951 212 D HN 0.369 nan 8.370 nan 0.000 0.500 213 D N -0.918 119.327 120.400 -0.259 0.000 2.927 213 D HA 0.216 4.857 4.640 0.000 0.000 0.219 213 D C -1.484 174.797 176.300 -0.032 0.000 1.248 213 D CA -0.509 53.425 54.000 -0.111 0.000 0.861 213 D CB 2.218 42.982 40.800 -0.061 0.000 1.677 213 D HN -0.352 nan 8.370 nan 0.000 0.511 214 V N 3.700 123.610 119.914 -0.006 0.000 2.407 214 V HA 0.540 4.661 4.120 0.000 0.000 0.291 214 V C -0.328 175.856 176.094 0.150 0.000 1.018 214 V CA -0.610 61.714 62.300 0.039 0.000 0.842 214 V CB 1.267 33.072 31.823 -0.030 0.000 0.996 214 V HN 0.441 nan 8.190 nan 0.000 0.426 215 I N 5.874 126.509 120.570 0.109 0.000 2.382 215 I HA 0.408 4.578 4.170 0.000 0.000 0.286 215 I C -0.460 175.610 176.117 -0.079 0.000 1.002 215 I CA -0.373 60.977 61.300 0.083 0.000 1.135 215 I CB 1.738 39.752 38.000 0.023 0.000 1.288 215 I HN 0.535 nan 8.210 nan 0.000 0.448 216 L N 8.951 130.002 121.223 -0.285 0.000 2.261 216 L HA 0.522 4.863 4.340 0.000 0.000 0.289 216 L C -0.334 176.316 176.870 -0.366 0.000 1.059 216 L CA -0.138 54.339 54.840 -0.605 0.000 0.816 216 L CB 0.722 41.827 42.059 -1.590 0.000 1.191 216 L HN 0.350 nan 8.230 nan 0.000 0.431 217 V N 6.099 125.855 119.914 -0.263 0.000 2.637 217 V HA 0.298 4.418 4.120 0.000 0.000 0.296 217 V C 0.570 176.550 176.094 -0.190 0.000 1.046 217 V CA -0.100 62.082 62.300 -0.197 0.000 1.066 217 V CB 0.464 32.190 31.823 -0.162 0.000 0.968 217 V HN 0.679 nan 8.190 nan 0.000 0.483 218 I N 2.546 123.019 120.570 -0.162 0.000 2.608 218 I HA 0.370 4.540 4.170 0.000 0.000 0.295 218 I C -0.525 175.529 176.117 -0.105 0.000 1.049 218 I CA -0.631 60.588 61.300 -0.134 0.000 1.063 218 I CB 2.248 40.165 38.000 -0.139 0.000 1.248 218 I HN 0.593 nan 8.210 nan 0.000 0.424 219 D N 4.258 124.617 120.400 -0.069 0.000 2.312 219 D HA 0.231 4.872 4.640 0.000 0.000 0.252 219 D C 0.767 177.031 176.300 -0.059 0.000 1.150 219 D CA -0.093 53.877 54.000 -0.049 0.000 0.870 219 D CB 1.911 42.710 40.800 -0.002 0.000 1.153 219 D HN 0.634 nan 8.370 nan 0.000 0.457 220 A N 3.091 125.867 122.820 -0.073 0.000 2.259 220 A HA -0.071 4.250 4.320 0.000 0.000 0.212 220 A C 1.930 179.478 177.584 -0.060 0.000 1.178 220 A CA 0.763 52.749 52.037 -0.085 0.000 0.734 220 A CB -0.166 18.776 19.000 -0.095 0.000 0.774 220 A HN 0.506 nan 8.150 nan 0.000 0.481 221 S N -0.252 115.424 115.700 -0.041 0.000 2.470 221 S HA 0.047 4.517 4.470 0.000 0.000 0.225 221 S C 1.385 175.966 174.600 -0.032 0.000 1.006 221 S CA 0.605 58.786 58.200 -0.031 0.000 0.934 221 S CB -0.323 62.864 63.200 -0.021 0.000 0.778 221 S HN 0.643 nan 8.310 nan 0.000 0.517 222 I N 2.131 122.684 120.570 -0.028 0.000 3.241 222 I HA 0.013 4.183 4.170 0.000 0.000 0.280 222 I C 1.671 177.774 176.117 -0.022 0.000 1.320 222 I CA 0.095 61.383 61.300 -0.020 0.000 1.413 222 I CB -1.485 36.509 38.000 -0.009 0.000 1.060 222 I HN 0.352 nan 8.210 nan 0.000 0.500 223 G N 2.052 110.832 108.800 -0.032 0.000 2.581 223 G HA2 -0.378 3.582 3.960 0.000 0.000 0.289 223 G HA3 -0.378 3.582 3.960 0.000 0.000 0.289 223 G C 0.725 175.617 174.900 -0.014 0.000 1.303 223 G CA 0.655 45.739 45.100 -0.028 0.000 0.931 223 G HN 0.585 nan 8.290 nan 0.000 0.555 224 Q N -0.263 119.538 119.800 0.002 0.000 2.443 224 Q HA -0.036 4.304 4.340 0.000 0.000 0.213 224 Q C 2.215 178.255 176.000 0.066 0.000 0.982 224 Q CA 1.706 57.531 55.803 0.037 0.000 0.894 224 Q CB -0.226 28.532 28.738 0.034 0.000 0.947 224 Q HN 0.721 nan 8.270 nan 0.000 0.480 225 K N 1.318 121.739 120.400 0.035 0.000 2.063 225 K HA -0.115 4.205 4.320 0.000 0.000 0.208 225 K C 2.240 178.887 176.600 0.078 0.000 1.048 225 K CA 1.146 57.458 56.287 0.043 0.000 0.928 225 K CB -0.394 32.115 32.500 0.016 0.000 0.713 225 K HN 0.319 nan 8.250 nan 0.000 0.442 226 A N 1.097 123.945 122.820 0.047 0.000 2.159 226 A HA -0.255 4.066 4.320 0.000 0.000 0.222 226 A C 1.888 179.520 177.584 0.079 0.000 1.163 226 A CA 1.478 53.533 52.037 0.031 0.000 0.664 226 A CB -0.865 18.121 19.000 -0.024 0.000 0.803 226 A HN 0.462 nan 8.150 nan 0.000 0.470 227 Y N 0.552 120.844 120.300 -0.013 0.000 2.274 227 Y HA -0.188 4.362 4.550 0.000 0.000 0.290 227 Y C 1.988 177.900 175.900 0.020 0.000 1.145 227 Y CA 1.583 59.684 58.100 0.002 0.000 1.203 227 Y CB -0.216 38.245 38.460 0.001 0.000 0.984 227 Y HN 0.422 nan 8.280 nan 0.000 0.533 228 D N -0.354 120.251 120.400 0.341 0.000 2.084 228 D HA -0.155 4.485 4.640 0.000 0.000 0.199 228 D C 2.230 178.627 176.300 0.161 0.000 0.981 228 D CA 1.328 55.475 54.000 0.246 0.000 0.841 228 D CB -0.399 40.479 40.800 0.130 0.000 0.997 228 D HN 0.387 nan 8.370 nan 0.000 0.454 229 L N 1.308 122.593 121.223 0.105 0.000 2.043 229 L HA -0.156 4.185 4.340 0.000 0.000 0.212 229 L C 2.135 179.066 176.870 0.101 0.000 1.075 229 L CA 2.316 57.202 54.840 0.076 0.000 0.752 229 L CB -0.920 41.153 42.059 0.024 0.000 0.891 229 L HN 0.003 nan 8.230 nan 0.000 0.432 230 A N -1.532 121.335 122.820 0.078 0.000 1.877 230 A HA -0.219 4.101 4.320 0.000 0.000 0.216 230 A C 2.519 180.186 177.584 0.137 0.000 1.186 230 A CA 1.986 54.082 52.037 0.099 0.000 0.620 230 A CB -1.205 17.783 19.000 -0.020 0.000 0.822 230 A HN 0.541 nan 8.150 nan 0.000 0.443 231 S N -1.046 114.695 115.700 0.068 0.000 2.356 231 S HA -0.153 4.317 4.470 0.000 0.000 0.223 231 S C 2.207 176.882 174.600 0.124 0.000 1.032 231 S CA 1.301 59.549 58.200 0.079 0.000 1.005 231 S CB -0.330 62.956 63.200 0.143 0.000 0.867 231 S HN 0.577 nan 8.310 nan 0.000 0.449 232 R N -0.727 119.854 120.500 0.135 0.000 2.105 232 R HA -0.096 4.244 4.340 0.000 0.000 0.239 232 R C 2.069 178.451 176.300 0.136 0.000 1.135 232 R CA 1.605 57.771 56.100 0.110 0.000 0.967 232 R CB -0.490 29.871 30.300 0.102 0.000 0.861 232 R HN 0.503 nan 8.270 nan 0.000 0.442 233 F N 0.898 120.855 119.950 0.011 0.000 2.051 233 F HA -0.252 4.275 4.527 0.000 0.000 0.296 233 F C 2.323 178.140 175.800 0.029 0.000 1.122 233 F CA 1.903 59.903 58.000 -0.000 0.000 1.201 233 F CB -0.970 38.021 39.000 -0.014 0.000 0.978 233 F HN 0.095 nan 8.300 nan 0.000 0.472 234 H N -0.681 118.238 119.070 -0.252 0.000 2.319 234 H HA -0.260 4.296 4.556 0.000 0.000 0.297 234 H C 2.328 177.502 175.328 -0.256 0.000 1.097 234 H CA 1.728 57.564 56.048 -0.354 0.000 1.285 234 H CB -0.147 29.510 29.762 -0.175 0.000 1.368 234 H HN 0.348 nan 8.280 nan 0.000 0.495 235 Q N 0.681 120.380 119.800 -0.169 0.000 1.998 235 Q HA -0.192 4.148 4.340 0.000 0.000 0.209 235 Q C 2.476 178.363 176.000 -0.189 0.000 1.002 235 Q CA 2.332 58.017 55.803 -0.197 0.000 0.858 235 Q CB -0.767 27.927 28.738 -0.074 0.000 0.932 235 Q HN 0.549 nan 8.270 nan 0.000 0.416 236 A N -0.668 122.076 122.820 -0.127 0.000 1.869 236 A HA -0.159 4.161 4.320 0.000 0.000 0.218 236 A C 1.598 179.067 177.584 -0.192 0.000 1.203 236 A CA 1.959 53.929 52.037 -0.112 0.000 0.638 236 A CB -0.847 18.130 19.000 -0.039 0.000 0.831 236 A HN 0.357 nan 8.150 nan 0.000 0.450 237 S N -0.205 115.295 115.700 -0.333 0.000 2.269 237 S HA 0.431 4.901 4.470 0.000 0.000 0.194 237 S C -1.759 172.590 174.600 -0.419 0.000 1.547 237 S CA -1.179 56.771 58.200 -0.416 0.000 1.186 237 S CB 0.993 63.884 63.200 -0.516 0.000 1.069 237 S HN 0.295 nan 8.310 nan 0.000 0.473 238 P HA -0.003 nan 4.420 nan 0.000 0.229 238 P C 0.031 177.275 177.300 -0.094 0.000 1.150 238 P CA 0.586 63.556 63.100 -0.216 0.000 0.765 238 P CB -0.169 31.382 31.700 -0.248 0.000 0.783 239 I N -0.166 120.306 120.570 -0.164 0.000 2.578 239 I HA 0.528 4.698 4.170 0.000 0.000 0.284 239 I C 0.796 176.822 176.117 -0.152 0.000 1.156 239 I CA -0.124 61.111 61.300 -0.109 0.000 1.165 239 I CB 0.943 38.901 38.000 -0.071 0.000 1.567 239 I HN -0.118 nan 8.210 nan 0.000 0.546 240 G N 1.051 109.774 108.800 -0.128 0.000 2.559 240 G HA2 0.751 4.711 3.960 0.000 0.000 0.291 240 G HA3 0.751 4.711 3.960 0.000 0.000 0.291 240 G C -1.496 173.420 174.900 0.027 0.000 1.424 240 G CA -0.522 44.539 45.100 -0.065 0.000 0.786 240 G HN 0.129 nan 8.290 nan 0.000 0.485 241 S N -1.581 114.216 115.700 0.163 0.000 2.595 241 S HA 0.756 5.227 4.470 0.000 0.000 0.281 241 S C -0.482 174.242 174.600 0.207 0.000 1.117 241 S CA -0.606 57.690 58.200 0.159 0.000 0.873 241 S CB 1.953 65.229 63.200 0.128 0.000 1.108 241 S HN 0.754 nan 8.310 nan 0.000 0.477 242 V N 2.018 121.996 119.914 0.108 0.000 2.713 242 V HA 0.580 4.700 4.120 0.000 0.000 0.307 242 V C -0.437 175.628 176.094 -0.049 0.000 1.052 242 V CA -0.598 61.699 62.300 -0.004 0.000 0.967 242 V CB 1.283 33.071 31.823 -0.058 0.000 1.019 242 V HN 0.757 nan 8.190 nan 0.000 0.459 243 I N 3.794 124.304 120.570 -0.101 0.000 2.466 243 I HA 0.473 4.643 4.170 0.000 0.000 0.289 243 I C -0.873 175.156 176.117 -0.148 0.000 1.026 243 I CA -0.391 60.849 61.300 -0.099 0.000 1.078 243 I CB 1.984 39.909 38.000 -0.125 0.000 1.249 243 I HN 0.437 nan 8.210 nan 0.000 0.429 244 I N 6.052 126.519 120.570 -0.172 0.000 2.330 244 I HA 0.260 4.430 4.170 0.000 0.000 0.289 244 I C 0.426 176.460 176.117 -0.139 0.000 1.001 244 I CA -0.296 60.897 61.300 -0.179 0.000 1.193 244 I CB 1.668 39.520 38.000 -0.246 0.000 1.345 244 I HN 0.568 nan 8.210 nan 0.000 0.461 245 T N 2.078 116.564 114.554 -0.114 0.000 2.884 245 T HA 0.352 4.703 4.350 0.000 0.000 0.277 245 T C 0.526 175.184 174.700 -0.069 0.000 0.976 245 T CA -0.870 61.178 62.100 -0.087 0.000 0.956 245 T CB 1.050 69.868 68.868 -0.083 0.000 1.113 245 T HN 0.583 nan 8.240 nan 0.000 0.554 246 K N -0.720 119.649 120.400 -0.051 0.000 2.960 246 K HA -0.237 4.083 4.320 0.000 0.000 0.259 246 K C 1.068 177.646 176.600 -0.036 0.000 1.025 246 K CA 0.594 56.859 56.287 -0.036 0.000 0.756 246 K CB -1.265 31.218 32.500 -0.030 0.000 1.221 246 K HN 0.596 nan 8.250 nan 0.000 0.483 247 M N 0.990 120.563 119.600 -0.044 0.000 2.195 247 M HA -0.172 4.308 4.480 0.000 0.000 0.260 247 M C 1.135 177.425 176.300 -0.015 0.000 1.066 247 M CA 1.930 57.203 55.300 -0.045 0.000 1.089 247 M CB -0.001 32.567 32.600 -0.054 0.000 1.377 247 M HN 0.102 nan 8.290 nan 0.000 0.411 248 D N -0.995 119.403 120.400 -0.003 0.000 2.349 248 D HA 0.125 4.765 4.640 0.000 0.000 0.224 248 D C 1.200 177.502 176.300 0.004 0.000 1.029 248 D CA 0.825 54.831 54.000 0.009 0.000 0.879 248 D CB -0.134 40.676 40.800 0.016 0.000 0.906 248 D HN 0.498 nan 8.370 nan 0.000 0.528 249 G N -0.217 108.580 108.800 -0.004 0.000 3.707 249 G HA2 0.230 4.190 3.960 0.000 0.000 0.286 249 G HA3 0.230 4.190 3.960 0.000 0.000 0.286 249 G C 0.075 174.971 174.900 -0.008 0.000 1.112 249 G CA -0.137 44.960 45.100 -0.005 0.000 0.861 249 G HN 0.028 nan 8.290 nan 0.000 0.534 250 T N -1.497 113.053 114.554 -0.007 0.000 2.792 250 T HA 0.554 4.904 4.350 0.000 0.000 0.303 250 T C 0.297 174.996 174.700 -0.003 0.000 1.310 250 T CA 0.152 62.246 62.100 -0.010 0.000 1.007 250 T CB 1.834 70.689 68.868 -0.021 0.000 1.335 250 T HN 0.131 nan 8.240 nan 0.000 0.504 251 A N -0.001 122.817 122.820 -0.004 0.000 2.469 251 A HA 0.334 4.654 4.320 0.000 0.000 0.245 251 A C 0.779 178.363 177.584 -0.001 0.000 1.221 251 A CA -0.181 51.858 52.037 0.005 0.000 0.946 251 A CB -0.030 18.973 19.000 0.006 0.000 1.049 251 A HN 0.646 nan 8.150 nan 0.000 0.529 252 K N 0.247 120.639 120.400 -0.013 0.000 2.681 252 K HA 0.238 4.558 4.320 0.000 0.000 0.211 252 K C 1.446 178.022 176.600 -0.039 0.000 1.075 252 K CA 0.263 56.537 56.287 -0.021 0.000 1.141 252 K CB 0.596 33.081 32.500 -0.024 0.000 0.896 252 K HN 0.290 nan 8.250 nan 0.000 0.470 253 G N 1.376 110.153 108.800 -0.039 0.000 2.484 253 G HA2 -0.239 3.721 3.960 0.000 0.000 0.215 253 G HA3 -0.239 3.721 3.960 0.000 0.000 0.215 253 G C 1.506 176.326 174.900 -0.133 0.000 1.219 253 G CA 0.907 45.959 45.100 -0.080 0.000 0.791 253 G HN 0.422 nan 8.290 nan 0.000 0.550 254 G N 0.957 109.693 108.800 -0.107 0.000 2.545 254 G HA2 -0.112 3.848 3.960 0.000 0.000 0.222 254 G HA3 -0.112 3.848 3.960 0.000 0.000 0.222 254 G C 1.778 176.585 174.900 -0.155 0.000 1.126 254 G CA 1.568 46.556 45.100 -0.186 0.000 0.754 254 G HN 0.718 nan 8.290 nan 0.000 0.583 255 G N 0.795 109.549 108.800 -0.077 0.000 2.442 255 G HA2 0.051 4.011 3.960 0.000 0.000 0.219 255 G HA3 0.051 4.011 3.960 0.000 0.000 0.219 255 G C 1.968 176.831 174.900 -0.063 0.000 1.141 255 G CA 1.511 46.584 45.100 -0.045 0.000 0.763 255 G HN 0.720 nan 8.290 nan 0.000 0.554 256 A N 0.392 123.146 122.820 -0.110 0.000 1.855 256 A HA 0.242 4.562 4.320 0.000 0.000 0.213 256 A C 2.396 179.865 177.584 -0.191 0.000 1.195 256 A CA 1.140 53.099 52.037 -0.129 0.000 0.610 256 A CB -0.382 18.531 19.000 -0.144 0.000 0.837 256 A HN 0.301 nan 8.150 nan 0.000 0.444 257 L N 0.715 121.762 121.223 -0.293 0.000 1.943 257 L HA -0.240 4.100 4.340 0.000 0.000 0.215 257 L C 3.003 179.739 176.870 -0.223 0.000 1.074 257 L CA 2.154 56.765 54.840 -0.381 0.000 0.759 257 L CB -1.013 40.685 42.059 -0.601 0.000 0.888 257 L HN 0.543 nan 8.230 nan 0.000 0.433 258 S N 0.171 115.763 115.700 -0.180 0.000 2.409 258 S HA -0.341 4.129 4.470 0.000 0.000 0.237 258 S C 2.044 176.665 174.600 0.035 0.000 1.060 258 S CA 1.376 59.615 58.200 0.065 0.000 1.052 258 S CB -0.971 62.318 63.200 0.149 0.000 0.871 258 S HN 0.439 nan 8.310 nan 0.000 0.465 259 A N 1.723 124.536 122.820 -0.011 0.000 1.832 259 A HA 0.110 4.430 4.320 0.000 0.000 0.214 259 A C 2.508 180.027 177.584 -0.108 0.000 1.200 259 A CA 1.591 53.638 52.037 0.016 0.000 0.610 259 A CB -1.266 17.751 19.000 0.029 0.000 0.842 259 A HN 0.511 nan 8.150 nan 0.000 0.444 260 V N -0.040 119.790 119.914 -0.139 0.000 2.380 260 V HA -0.250 3.870 4.120 0.000 0.000 0.251 260 V C 2.543 178.516 176.094 -0.201 0.000 1.063 260 V CA 2.022 64.211 62.300 -0.185 0.000 1.055 260 V CB -0.889 30.826 31.823 -0.180 0.000 0.657 260 V HN 0.358 nan 8.190 nan 0.000 0.455 261 V N 0.169 119.998 119.914 -0.142 0.000 2.358 261 V HA -0.229 3.891 4.120 0.000 0.000 0.246 261 V C 2.756 178.785 176.094 -0.109 0.000 1.047 261 V CA 1.739 63.981 62.300 -0.096 0.000 1.035 261 V CB -1.193 30.632 31.823 0.003 0.000 0.658 261 V HN 0.557 nan 8.190 nan 0.000 0.452 262 A N 0.950 123.715 122.820 -0.092 0.000 1.929 262 A HA -0.381 3.939 4.320 0.000 0.000 0.221 262 A C 2.525 180.009 177.584 -0.167 0.000 1.211 262 A CA 3.368 55.366 52.037 -0.065 0.000 0.657 262 A CB -1.259 17.764 19.000 0.039 0.000 0.827 262 A HN 0.685 nan 8.150 nan 0.000 0.462 263 T N -4.482 109.837 114.554 -0.392 0.000 2.737 263 T HA 0.307 4.657 4.350 0.000 0.000 0.265 263 T C 1.527 176.133 174.700 -0.155 0.000 1.038 263 T CA 1.894 63.794 62.100 -0.333 0.000 1.144 263 T CB -0.298 68.330 68.868 -0.400 0.000 0.866 263 T HN 1.840 nan 8.240 nan 0.000 0.434 264 G N 0.572 109.211 108.800 -0.269 0.000 2.321 264 G HA2 0.275 4.235 3.960 0.000 0.000 0.174 264 G HA3 0.275 4.235 3.960 0.000 0.000 0.174 264 G C 0.182 174.718 174.900 -0.608 0.000 1.008 264 G CA -0.006 44.901 45.100 -0.321 0.000 0.739 264 G HN 0.966 nan 8.290 nan 0.000 0.502 265 A N 0.094 122.582 122.820 -0.554 0.000 2.346 265 A HA 0.767 5.087 4.320 0.000 0.000 0.252 265 A C 0.539 177.993 177.584 -0.217 0.000 1.089 265 A CA 0.903 52.685 52.037 -0.425 0.000 0.797 265 A CB 0.489 19.360 19.000 -0.216 0.000 1.047 265 A HN 0.651 nan 8.150 nan 0.000 0.494 266 T N 1.328 115.807 114.554 -0.125 0.000 2.823 266 T HA 0.514 4.864 4.350 0.000 0.000 0.279 266 T C -0.153 174.523 174.700 -0.039 0.000 0.998 266 T CA -0.060 62.007 62.100 -0.054 0.000 0.994 266 T CB 0.737 69.597 68.868 -0.013 0.000 0.960 266 T HN 0.400 nan 8.240 nan 0.000 0.448 267 I N 3.618 124.152 120.570 -0.060 0.000 2.313 267 I HA 0.258 4.428 4.170 0.000 0.000 0.286 267 I C 1.268 177.376 176.117 -0.014 0.000 1.091 267 I CA -0.508 60.704 61.300 -0.147 0.000 1.216 267 I CB 0.700 38.382 38.000 -0.531 0.000 1.434 267 I HN 0.592 nan 8.210 nan 0.000 0.487 268 K N 4.195 124.632 120.400 0.063 0.000 2.155 268 K HA 0.100 4.420 4.320 0.000 0.000 0.203 268 K C -0.107 176.402 176.600 -0.153 0.000 1.052 268 K CA 1.391 57.691 56.287 0.022 0.000 0.948 268 K CB 0.219 32.810 32.500 0.152 0.000 0.728 268 K HN 0.349 nan 8.250 nan 0.000 0.448 269 F N -0.337 119.560 119.950 -0.089 0.000 2.692 269 F HA 0.483 5.010 4.527 0.000 0.000 0.320 269 F C -0.644 175.074 175.800 -0.137 0.000 1.123 269 F CA -1.613 56.323 58.000 -0.107 0.000 0.961 269 F CB 1.603 40.476 39.000 -0.212 0.000 1.383 269 F HN -0.240 nan 8.300 nan 0.000 0.483 270 I N -0.263 120.394 120.570 0.145 0.000 2.610 270 I HA 0.727 4.897 4.170 0.000 0.000 0.289 270 I C -0.558 175.570 176.117 0.018 0.000 1.163 270 I CA -0.786 60.514 61.300 -0.000 0.000 1.044 270 I CB 1.612 39.587 38.000 -0.043 0.000 1.251 270 I HN 0.614 nan 8.210 nan 0.000 0.424 271 G N 3.049 111.830 108.800 -0.033 0.000 2.432 271 G HA2 0.488 4.448 3.960 0.000 0.000 0.257 271 G HA3 0.488 4.448 3.960 0.000 0.000 0.257 271 G C 0.336 175.226 174.900 -0.016 0.000 1.238 271 G CA 0.150 45.232 45.100 -0.030 0.000 0.838 271 G HN 0.936 nan 8.290 nan 0.000 0.547 272 T N -1.567 112.987 114.554 -0.001 0.000 3.672 272 T HA 0.619 4.969 4.350 0.000 0.000 0.296 272 T C 0.378 175.081 174.700 0.004 0.000 0.979 272 T CA 0.255 62.361 62.100 0.009 0.000 1.013 272 T CB 0.237 69.125 68.868 0.034 0.000 1.184 272 T HN 1.822 nan 8.240 nan 0.000 0.477 273 G N 0.764 109.558 108.800 -0.009 0.000 2.324 273 G HA2 0.406 4.366 3.960 0.000 0.000 0.293 273 G HA3 0.406 4.366 3.960 0.000 0.000 0.293 273 G C -0.766 174.120 174.900 -0.023 0.000 1.297 273 G CA -0.668 44.425 45.100 -0.012 0.000 0.853 273 G HN 0.016 nan 8.290 nan 0.000 0.535 274 E N -0.003 120.183 120.200 -0.024 0.000 2.307 274 E HA 0.195 4.545 4.350 0.000 0.000 0.195 274 E C 1.314 177.889 176.600 -0.042 0.000 0.975 274 E CA 0.197 56.579 56.400 -0.030 0.000 0.878 274 E CB 0.228 29.914 29.700 -0.023 0.000 0.845 274 E HN 0.449 nan 8.360 nan 0.000 0.488 275 K N 0.311 120.685 120.400 -0.043 0.000 2.229 275 K HA -0.007 4.313 4.320 0.000 0.000 0.250 275 K C 0.734 177.276 176.600 -0.096 0.000 1.016 275 K CA -0.022 56.225 56.287 -0.066 0.000 0.866 275 K CB 0.302 32.767 32.500 -0.058 0.000 1.028 275 K HN -0.112 nan 8.250 nan 0.000 0.514 276 I N 0.523 120.996 120.570 -0.161 0.000 2.584 276 I HA -0.141 4.029 4.170 0.000 0.000 0.255 276 I C 1.352 177.306 176.117 -0.270 0.000 1.145 276 I CA 1.117 62.265 61.300 -0.253 0.000 1.462 276 I CB -0.155 37.582 38.000 -0.439 0.000 1.102 276 I HN 0.514 nan 8.210 nan 0.000 0.433 277 D N 1.091 121.357 120.400 -0.223 0.000 2.349 277 D HA -0.033 4.607 4.640 0.000 0.000 0.224 277 D C 0.497 176.803 176.300 0.010 0.000 1.029 277 D CA 0.415 54.364 54.000 -0.084 0.000 0.879 277 D CB 0.004 40.780 40.800 -0.039 0.000 0.906 277 D HN 0.441 nan 8.370 nan 0.000 0.528 278 E N 1.058 121.248 120.200 -0.017 0.000 2.467 278 E HA 0.165 4.515 4.350 0.000 0.000 0.321 278 E C 0.045 176.661 176.600 0.026 0.000 1.388 278 E CA 0.022 56.428 56.400 0.010 0.000 1.508 278 E CB 0.136 29.830 29.700 -0.010 0.000 1.250 278 E HN 0.215 nan 8.360 nan 0.000 0.500 279 L N 0.955 122.223 121.223 0.075 0.000 2.676 279 L HA 0.242 4.582 4.340 0.000 0.000 0.262 279 L C -1.550 175.435 176.870 0.191 0.000 0.932 279 L CA -0.346 54.548 54.840 0.089 0.000 0.932 279 L CB 1.707 43.775 42.059 0.015 0.000 1.355 279 L HN -0.016 nan 8.230 nan 0.000 0.421 280 E N 1.961 122.275 120.200 0.190 0.000 2.317 280 E HA 0.489 4.839 4.350 0.000 0.000 0.270 280 E C -1.036 175.631 176.600 0.112 0.000 0.885 280 E CA -0.873 55.647 56.400 0.199 0.000 0.760 280 E CB 2.112 31.901 29.700 0.148 0.000 1.227 280 E HN 0.414 nan 8.360 nan 0.000 0.434 281 T N 1.716 116.263 114.554 -0.012 0.000 2.934 281 T HA -0.009 4.341 4.350 0.000 0.000 0.306 281 T C -0.483 174.171 174.700 -0.077 0.000 1.042 281 T CA 0.192 62.123 62.100 -0.281 0.000 1.145 281 T CB -0.055 68.666 68.868 -0.245 0.000 0.982 281 T HN 0.253 nan 8.240 nan 0.000 0.544 282 F N 4.720 124.524 119.950 -0.243 0.000 2.434 282 F HA 0.263 4.790 4.527 0.000 0.000 0.358 282 F C 0.550 176.298 175.800 -0.086 0.000 1.136 282 F CA -1.083 56.834 58.000 -0.138 0.000 1.157 282 F CB 0.064 38.977 39.000 -0.146 0.000 1.167 282 F HN 0.367 nan 8.300 nan 0.000 0.539 283 N N 5.230 123.626 118.700 -0.506 0.000 2.678 283 N HA 0.292 5.032 4.740 0.000 0.000 0.231 283 N C 0.798 175.974 175.510 -0.557 0.000 1.038 283 N CA 0.386 53.206 53.050 -0.384 0.000 0.932 283 N CB 1.058 39.446 38.487 -0.165 0.000 1.176 283 N HN 0.763 nan 8.380 nan 0.000 0.511 284 A N 4.655 127.107 122.820 -0.614 0.000 1.882 284 A HA -0.271 4.049 4.320 0.000 0.000 0.220 284 A C 1.997 179.523 177.584 -0.096 0.000 1.253 284 A CA 1.679 53.487 52.037 -0.383 0.000 0.664 284 A CB -0.401 18.550 19.000 -0.081 0.000 0.838 284 A HN 0.713 nan 8.150 nan 0.000 0.460 285 K N -0.874 119.481 120.400 -0.075 0.000 2.009 285 K HA -0.170 4.151 4.320 0.000 0.000 0.210 285 K C 2.153 178.815 176.600 0.104 0.000 1.049 285 K CA 1.522 57.805 56.287 -0.007 0.000 0.929 285 K CB -0.362 32.158 32.500 0.034 0.000 0.714 285 K HN 0.452 nan 8.250 nan 0.000 0.440 286 R N 0.042 120.574 120.500 0.053 0.000 2.159 286 R HA -0.135 4.205 4.340 0.000 0.000 0.237 286 R C 2.250 178.600 176.300 0.082 0.000 1.131 286 R CA 1.161 57.299 56.100 0.063 0.000 0.982 286 R CB -0.356 29.958 30.300 0.023 0.000 0.868 286 R HN 0.212 nan 8.270 nan 0.000 0.453 287 F N 0.982 120.895 119.950 -0.061 0.000 2.163 287 F HA -0.117 4.411 4.527 0.000 0.000 0.297 287 F C 2.037 177.900 175.800 0.104 0.000 1.094 287 F CA 0.920 58.917 58.000 -0.005 0.000 1.290 287 F CB -0.296 38.660 39.000 -0.073 0.000 1.017 287 F HN -0.317 nan 8.300 nan 0.000 0.483 288 V N -0.200 119.710 119.914 -0.008 0.000 2.332 288 V HA -0.301 3.819 4.120 0.000 0.000 0.248 288 V C 2.465 178.549 176.094 -0.017 0.000 1.055 288 V CA 2.103 64.360 62.300 -0.071 0.000 1.038 288 V CB -1.153 30.620 31.823 -0.083 0.000 0.651 288 V HN 0.362 nan 8.190 nan 0.000 0.450 289 S N -0.003 115.760 115.700 0.105 0.000 2.338 289 S HA -0.226 4.244 4.470 0.000 0.000 0.218 289 S C 2.078 176.653 174.600 -0.042 0.000 1.032 289 S CA 1.648 59.877 58.200 0.048 0.000 0.999 289 S CB -0.480 62.745 63.200 0.041 0.000 0.905 289 S HN 0.528 nan 8.310 nan 0.000 0.439 290 R N 1.871 122.338 120.500 -0.055 0.000 2.228 290 R HA -0.180 4.160 4.340 0.000 0.000 0.259 290 R C 1.947 178.177 176.300 -0.117 0.000 1.183 290 R CA 1.894 57.954 56.100 -0.066 0.000 1.002 290 R CB -0.760 29.520 30.300 -0.033 0.000 0.879 290 R HN 0.725 nan 8.270 nan 0.000 0.467 291 I N -4.030 116.415 120.570 -0.208 0.000 2.927 291 I HA 0.080 4.250 4.170 0.000 0.000 0.268 291 I C 1.774 177.849 176.117 -0.071 0.000 1.153 291 I CA 0.301 61.496 61.300 -0.176 0.000 1.459 291 I CB -0.166 37.655 38.000 -0.299 0.000 1.149 291 I HN 0.074 nan 8.210 nan 0.000 0.443 292 L N 1.606 122.801 121.223 -0.047 0.000 1.961 292 L HA 0.206 4.546 4.340 0.000 0.000 0.209 292 L C 1.182 178.057 176.870 0.008 0.000 1.075 292 L CA 1.435 56.282 54.840 0.012 0.000 0.749 292 L CB -0.450 41.632 42.059 0.038 0.000 0.890 292 L HN 0.493 nan 8.230 nan 0.000 0.433 293 G N -2.223 106.567 108.800 -0.016 0.000 2.740 293 G HA2 0.400 4.360 3.960 0.000 0.000 0.296 293 G HA3 0.400 4.360 3.960 0.000 0.000 0.296 293 G C 0.242 175.123 174.900 -0.032 0.000 1.439 293 G CA -0.405 44.684 45.100 -0.019 0.000 1.066 293 G HN 0.188 nan 8.290 nan 0.000 0.527 294 M N 2.210 121.798 119.600 -0.020 0.000 3.267 294 M HA -0.075 4.406 4.480 0.000 0.000 0.277 294 M C 1.750 178.032 176.300 -0.030 0.000 1.045 294 M CA 2.786 58.075 55.300 -0.019 0.000 1.055 294 M CB -0.462 32.132 32.600 -0.009 0.000 1.224 294 M HN 0.622 nan 8.290 nan 0.000 0.557 295 G N -1.833 106.949 108.800 -0.031 0.000 3.443 295 G HA2 0.124 4.084 3.960 0.000 0.000 0.252 295 G HA3 0.124 4.084 3.960 0.000 0.000 0.252 295 G C 0.459 175.330 174.900 -0.049 0.000 1.015 295 G CA 0.034 45.110 45.100 -0.041 0.000 0.891 295 G HN 0.381 nan 8.290 nan 0.000 0.510 296 D N 1.111 121.486 120.400 -0.041 0.000 2.116 296 D HA -0.155 4.485 4.640 0.000 0.000 0.193 296 D C 2.285 178.547 176.300 -0.064 0.000 0.998 296 D CA 0.599 54.577 54.000 -0.037 0.000 0.836 296 D CB 0.088 40.875 40.800 -0.021 0.000 0.951 296 D HN 0.293 nan 8.370 nan 0.000 0.449 297 I N 1.103 121.610 120.570 -0.104 0.000 2.567 297 I HA -0.214 3.956 4.170 0.000 0.000 0.257 297 I C 1.835 177.841 176.117 -0.184 0.000 1.184 297 I CA 1.246 62.433 61.300 -0.188 0.000 1.451 297 I CB -0.288 37.518 38.000 -0.323 0.000 1.089 297 I HN -0.125 nan 8.210 nan 0.000 0.441 298 E N 1.240 121.366 120.200 -0.124 0.000 2.017 298 E HA -0.188 4.162 4.350 0.000 0.000 0.193 298 E C 2.351 178.910 176.600 -0.068 0.000 0.997 298 E CA 2.335 58.679 56.400 -0.093 0.000 0.804 298 E CB -0.160 29.504 29.700 -0.060 0.000 0.757 298 E HN 0.608 nan 8.360 nan 0.000 0.448 299 S N 1.027 116.698 115.700 -0.049 0.000 2.365 299 S HA -0.213 4.257 4.470 0.000 0.000 0.225 299 S C 2.000 176.583 174.600 -0.028 0.000 1.039 299 S CA 1.488 59.670 58.200 -0.029 0.000 1.033 299 S CB -0.655 62.534 63.200 -0.018 0.000 0.887 299 S HN 0.276 nan 8.310 nan 0.000 0.447 300 I N 2.750 123.297 120.570 -0.039 0.000 2.423 300 I HA -0.135 4.035 4.170 0.000 0.000 0.254 300 I C 2.397 178.494 176.117 -0.032 0.000 1.151 300 I CA 1.028 62.314 61.300 -0.025 0.000 1.421 300 I CB -1.751 36.222 38.000 -0.045 0.000 1.079 300 I HN 0.378 nan 8.210 nan 0.000 0.431 301 L N 0.451 121.634 121.223 -0.067 0.000 2.023 301 L HA -0.055 4.285 4.340 0.000 0.000 0.205 301 L C 2.412 179.271 176.870 -0.018 0.000 1.073 301 L CA 1.738 56.544 54.840 -0.055 0.000 0.745 301 L CB -1.535 40.474 42.059 -0.082 0.000 0.900 301 L HN 0.174 nan 8.230 nan 0.000 0.435 302 E N 0.898 121.087 120.200 -0.018 0.000 2.026 302 E HA -0.329 4.021 4.350 0.000 0.000 0.206 302 E C 2.102 178.703 176.600 0.001 0.000 1.028 302 E CA 2.324 58.720 56.400 -0.007 0.000 0.845 302 E CB -0.184 29.510 29.700 -0.009 0.000 0.772 302 E HN 0.637 nan 8.360 nan 0.000 0.462 303 K N -0.172 120.230 120.400 0.004 0.000 2.049 303 K HA -0.221 4.099 4.320 0.000 0.000 0.219 303 K C 2.294 178.907 176.600 0.021 0.000 1.056 303 K CA 2.276 58.570 56.287 0.012 0.000 0.946 303 K CB -0.456 32.057 32.500 0.020 0.000 0.723 303 K HN 0.126 nan 8.250 nan 0.000 0.453 304 V N 1.357 121.292 119.914 0.035 0.000 2.515 304 V HA -0.231 3.889 4.120 0.000 0.000 0.250 304 V C 2.274 178.392 176.094 0.039 0.000 1.058 304 V CA 1.789 64.120 62.300 0.051 0.000 1.064 304 V CB -0.486 31.388 31.823 0.085 0.000 0.675 304 V HN 0.302 nan 8.190 nan 0.000 0.461 305 K N 1.622 122.040 120.400 0.029 0.000 1.967 305 K HA -0.042 4.278 4.320 0.000 0.000 0.212 305 K C 2.198 178.810 176.600 0.019 0.000 1.044 305 K CA 1.951 58.253 56.287 0.026 0.000 0.942 305 K CB -1.360 31.153 32.500 0.021 0.000 0.726 305 K HN 0.280 nan 8.250 nan 0.000 0.440 306 G N 1.790 110.596 108.800 0.011 0.000 2.505 306 G HA2 -0.239 3.721 3.960 0.000 0.000 0.220 306 G HA3 -0.239 3.721 3.960 0.000 0.000 0.220 306 G C 0.961 175.860 174.900 -0.002 0.000 1.145 306 G CA 0.957 46.060 45.100 0.004 0.000 0.761 306 G HN 0.372 nan 8.290 nan 0.000 0.571 328 T N -0.821 113.700 114.554 -0.055 0.000 3.151 328 T HA 0.199 4.550 4.350 0.000 0.000 0.239 328 T C 1.361 176.007 174.700 -0.089 0.000 0.979 328 T CA 0.779 62.848 62.100 -0.052 0.000 1.194 328 T CB 0.089 68.934 68.868 -0.038 0.000 0.982 328 T HN 0.150 nan 8.240 nan 0.000 0.428 329 L N 1.395 122.475 121.223 -0.237 0.000 2.456 329 L HA -0.135 4.205 4.340 0.000 0.000 0.225 329 L C 2.586 179.374 176.870 -0.136 0.000 1.142 329 L CA 1.175 55.770 54.840 -0.407 0.000 0.796 329 L CB -0.145 41.496 42.059 -0.696 0.000 0.920 329 L HN 0.170 nan 8.230 nan 0.000 0.446 330 R N -0.418 120.045 120.500 -0.061 0.000 2.060 330 R HA -0.165 4.175 4.340 0.000 0.000 0.225 330 R C 1.938 178.277 176.300 0.064 0.000 1.155 330 R CA 1.731 57.836 56.100 0.010 0.000 0.930 330 R CB -0.327 29.977 30.300 0.006 0.000 0.829 330 R HN 0.342 nan 8.270 nan 0.000 0.433 331 D N 0.209 120.637 120.400 0.047 0.000 2.190 331 D HA -0.144 4.496 4.640 0.000 0.000 0.200 331 D C 1.882 178.240 176.300 0.098 0.000 0.992 331 D CA 0.909 54.947 54.000 0.063 0.000 0.854 331 D CB 0.064 40.888 40.800 0.039 0.000 0.936 331 D HN 0.025 nan 8.370 nan 0.000 0.462 332 V N 0.543 120.525 119.914 0.113 0.000 2.222 332 V HA -0.324 3.796 4.120 0.000 0.000 0.252 332 V C 2.176 178.390 176.094 0.199 0.000 1.060 332 V CA 2.068 64.485 62.300 0.196 0.000 1.027 332 V CB -0.805 31.169 31.823 0.252 0.000 0.644 332 V HN 0.263 nan 8.190 nan 0.000 0.448 333 Y N 0.668 121.032 120.300 0.107 0.000 2.070 333 Y HA -0.227 4.323 4.550 0.000 0.000 0.279 333 Y C 2.433 178.378 175.900 0.075 0.000 1.134 333 Y CA 2.100 60.261 58.100 0.103 0.000 1.113 333 Y CB -0.813 37.693 38.460 0.077 0.000 0.981 333 Y HN 0.171 nan 8.280 nan 0.000 0.487 334 A N 0.251 123.236 122.820 0.275 0.000 1.915 334 A HA -0.393 3.927 4.320 0.000 0.000 0.220 334 A C 2.222 179.828 177.584 0.036 0.000 1.198 334 A CA 2.448 54.580 52.037 0.159 0.000 0.647 334 A CB -1.286 17.790 19.000 0.127 0.000 0.825 334 A HN 0.734 nan 8.150 nan 0.000 0.456 335 Q N -1.040 118.783 119.800 0.038 0.000 1.921 335 Q HA -0.174 4.166 4.340 0.000 0.000 0.208 335 Q C 2.059 178.042 176.000 -0.028 0.000 0.994 335 Q CA 1.788 57.598 55.803 0.012 0.000 0.857 335 Q CB -0.307 28.456 28.738 0.041 0.000 0.925 335 Q HN 0.544 nan 8.270 nan 0.000 0.421 336 I N 1.193 121.745 120.570 -0.031 0.000 2.315 336 I HA -0.263 3.907 4.170 0.000 0.000 0.251 336 I C 2.181 178.213 176.117 -0.141 0.000 1.125 336 I CA 1.104 62.364 61.300 -0.067 0.000 1.392 336 I CB -0.801 37.182 38.000 -0.028 0.000 1.065 336 I HN 0.495 nan 8.210 nan 0.000 0.424 337 I N 1.501 121.928 120.570 -0.239 0.000 2.099 337 I HA -0.266 3.904 4.170 0.000 0.000 0.239 337 I C 2.633 178.682 176.117 -0.113 0.000 1.066 337 I CA 1.939 63.083 61.300 -0.260 0.000 1.324 337 I CB -1.224 36.568 38.000 -0.347 0.000 1.037 337 I HN 0.242 nan 8.210 nan 0.000 0.401 338 A N 0.603 123.380 122.820 -0.072 0.000 2.032 338 A HA -0.198 4.122 4.320 0.000 0.000 0.221 338 A C 2.336 179.889 177.584 -0.051 0.000 1.165 338 A CA 1.395 53.404 52.037 -0.046 0.000 0.645 338 A CB -0.682 18.296 19.000 -0.037 0.000 0.807 338 A HN 0.534 nan 8.150 nan 0.000 0.453 339 L N -1.619 119.569 121.223 -0.059 0.000 2.044 339 L HA -0.105 4.235 4.340 0.000 0.000 0.205 339 L C 2.838 179.676 176.870 -0.053 0.000 1.075 339 L CA 1.223 56.030 54.840 -0.055 0.000 0.747 339 L CB -0.618 41.407 42.059 -0.057 0.000 0.903 339 L HN 0.384 nan 8.230 nan 0.000 0.435 340 R N 0.166 120.629 120.500 -0.061 0.000 2.096 340 R HA -0.147 4.193 4.340 0.000 0.000 0.235 340 R C 2.321 178.599 176.300 -0.037 0.000 1.127 340 R CA 1.037 57.107 56.100 -0.051 0.000 0.968 340 R CB -0.059 30.210 30.300 -0.052 0.000 0.861 340 R HN 0.353 nan 8.270 nan 0.000 0.440 341 K N -0.051 120.327 120.400 -0.036 0.000 1.978 341 K HA -0.172 4.148 4.320 0.000 0.000 0.214 341 K C 1.395 177.982 176.600 -0.022 0.000 1.049 341 K CA 1.002 57.275 56.287 -0.023 0.000 0.939 341 K CB -0.123 32.365 32.500 -0.019 0.000 0.721 341 K HN 0.047 nan 8.250 nan 0.000 0.441 342 M N -1.984 117.600 119.600 -0.026 0.000 7.319 342 M HA -0.274 4.206 4.480 0.000 0.000 0.311 342 M C 0.326 176.615 176.300 -0.017 0.000 0.480 342 M CA 2.402 57.687 55.300 -0.024 0.000 1.311 342 M CB -1.844 30.742 32.600 -0.024 0.000 0.421 342 M HN 0.564 nan 8.290 nan 0.000 0.799 343 G N 0.582 109.374 108.800 -0.015 0.000 2.226 343 G HA2 0.450 4.410 3.960 0.000 0.000 0.257 343 G HA3 0.450 4.410 3.960 0.000 0.000 0.257 343 G C -3.159 171.736 174.900 -0.010 0.000 1.732 343 G CA -0.738 44.356 45.100 -0.011 0.000 0.914 343 G HN 0.431 nan 8.290 nan 0.000 0.742 344 P HA 0.483 nan 4.420 nan 0.000 0.268 344 P C -0.052 177.244 177.300 -0.006 0.000 1.485 344 P CA 0.175 63.270 63.100 -0.008 0.000 1.102 344 P CB -0.169 31.527 31.700 -0.008 0.000 1.501 345 L N -1.140 120.079 121.223 -0.006 0.000 2.940 345 L HA 0.513 4.853 4.340 0.000 0.000 0.270 345 L C 0.191 177.059 176.870 -0.004 0.000 1.030 345 L CA -0.769 54.068 54.840 -0.004 0.000 0.928 345 L CB 1.188 43.245 42.059 -0.003 0.000 1.506 345 L HN -0.149 nan 8.230 nan 0.000 0.405 346 S N -1.671 114.027 115.700 -0.003 0.000 2.540 346 S HA 0.202 4.672 4.470 0.000 0.000 0.218 346 S C 0.910 175.510 174.600 0.001 0.000 0.977 346 S CA -0.470 57.729 58.200 -0.002 0.000 0.918 346 S CB -0.083 63.115 63.200 -0.004 0.000 0.806 346 S HN 0.602 nan 8.310 nan 0.000 0.496 347 K N 2.131 122.533 120.400 0.003 0.000 2.504 347 K HA 0.057 4.377 4.320 0.000 0.000 0.195 347 K C 2.114 178.725 176.600 0.019 0.000 1.036 347 K CA 0.863 57.155 56.287 0.008 0.000 0.984 347 K CB -0.780 31.724 32.500 0.006 0.000 0.788 347 K HN 0.547 nan 8.250 nan 0.000 0.488 348 V N -1.308 118.616 119.914 0.017 0.000 2.343 348 V HA -0.189 3.931 4.120 0.000 0.000 0.247 348 V C 1.969 178.097 176.094 0.057 0.000 1.051 348 V CA 1.416 63.733 62.300 0.028 0.000 1.036 348 V CB -0.894 30.936 31.823 0.012 0.000 0.654 348 V HN 0.132 nan 8.190 nan 0.000 0.451 349 L N -0.326 120.918 121.223 0.036 0.000 2.610 349 L HA 0.003 4.343 4.340 0.000 0.000 0.232 349 L C 2.678 179.561 176.870 0.021 0.000 1.149 349 L CA 1.064 55.922 54.840 0.030 0.000 0.872 349 L CB -0.551 41.513 42.059 0.009 0.000 0.992 349 L HN 0.420 nan 8.230 nan 0.000 0.447 350 Q N -0.424 119.394 119.800 0.030 0.000 2.224 350 Q HA -0.236 4.104 4.340 0.000 0.000 0.203 350 Q C 2.072 178.083 176.000 0.018 0.000 0.970 350 Q CA 1.284 57.095 55.803 0.014 0.000 0.865 350 Q CB 0.087 28.833 28.738 0.014 0.000 0.922 350 Q HN 0.544 nan 8.270 nan 0.000 0.445 351 H N -0.493 118.563 119.070 -0.023 0.000 2.372 351 H HA 0.079 4.635 4.556 0.000 0.000 0.301 351 H C -0.063 175.253 175.328 -0.021 0.000 1.065 351 H CA 0.767 56.801 56.048 -0.024 0.000 1.364 351 H CB 0.143 29.892 29.762 -0.022 0.000 1.406 351 H HN 0.101 nan 8.280 nan 0.000 0.521 352 I N 2.525 122.977 120.570 -0.196 0.000 2.496 352 I HA 0.140 4.310 4.170 0.000 0.000 0.285 352 I C -1.915 174.117 176.117 -0.141 0.000 1.080 352 I CA -1.910 59.272 61.300 -0.196 0.000 1.404 352 I CB 1.236 39.218 38.000 -0.030 0.000 1.403 352 I HN 0.174 nan 8.210 nan 0.000 0.539 353 P HA 0.106 nan 4.420 nan 0.000 0.238 353 P C -0.209 177.056 177.300 -0.060 0.000 1.729 353 P CA 0.086 63.130 63.100 -0.094 0.000 1.055 353 P CB -0.003 31.643 31.700 -0.089 0.000 1.980 354 G N 1.012 109.782 108.800 -0.049 0.000 2.731 354 G HA2 0.497 4.457 3.960 0.000 0.000 0.298 354 G HA3 0.497 4.457 3.960 0.000 0.000 0.298 354 G C -1.484 173.400 174.900 -0.027 0.000 1.424 354 G CA -0.521 44.559 45.100 -0.033 0.000 1.029 354 G HN 0.135 nan 8.290 nan 0.000 0.518 355 L N 2.311 123.520 121.223 -0.022 0.000 2.264 355 L HA 0.494 4.834 4.340 0.000 0.000 0.289 355 L C 1.344 178.205 176.870 -0.015 0.000 1.044 355 L CA -0.753 54.076 54.840 -0.019 0.000 0.807 355 L CB 1.309 43.357 42.059 -0.019 0.000 1.192 355 L HN 0.671 nan 8.230 nan 0.000 0.425 356 G N 2.926 111.718 108.800 -0.013 0.000 2.614 356 G HA2 0.295 4.255 3.960 0.000 0.000 0.239 356 G HA3 0.295 4.255 3.960 0.000 0.000 0.239 356 G C 0.652 175.545 174.900 -0.011 0.000 1.240 356 G CA -0.196 44.897 45.100 -0.011 0.000 0.842 356 G HN 0.705 nan 8.290 nan 0.000 0.584 357 I N 0.012 120.576 120.570 -0.010 0.000 3.650 357 I HA 0.239 4.409 4.170 0.000 0.000 0.261 357 I C 0.866 176.978 176.117 -0.009 0.000 1.154 357 I CA 0.331 61.625 61.300 -0.010 0.000 1.418 357 I CB 0.082 38.076 38.000 -0.010 0.000 1.539 357 I HN 0.481 nan 8.210 nan 0.000 0.449 358 M N -0.206 119.388 119.600 -0.009 0.000 2.572 358 M HA 0.463 4.943 4.480 0.000 0.000 0.299 358 M C -0.511 175.784 176.300 -0.009 0.000 1.205 358 M CA -0.522 54.772 55.300 -0.009 0.000 0.876 358 M CB 3.096 35.691 32.600 -0.009 0.000 1.728 358 M HN -0.051 nan 8.290 nan 0.000 0.458 359 L N -0.152 121.066 121.223 -0.008 0.000 2.537 359 L HA 0.218 4.558 4.340 0.000 0.000 0.224 359 L C -0.884 175.981 176.870 -0.008 0.000 1.065 359 L CA -0.142 54.693 54.840 -0.008 0.000 0.860 359 L CB -0.788 41.266 42.059 -0.008 0.000 1.086 359 L HN 0.578 nan 8.230 nan 0.000 0.482 360 P HA -0.158 nan 4.420 nan 0.000 0.224 360 P C 1.510 178.804 177.300 -0.009 0.000 1.142 360 P CA 1.415 64.510 63.100 -0.008 0.000 0.778 360 P CB -0.186 31.509 31.700 -0.008 0.000 0.764 361 T N -3.513 111.035 114.554 -0.010 0.000 2.770 361 T HA -0.029 4.321 4.350 0.000 0.000 0.263 361 T C -0.616 174.077 174.700 -0.012 0.000 1.039 361 T CA 1.018 63.112 62.100 -0.011 0.000 1.142 361 T CB -2.400 66.462 68.868 -0.011 0.000 0.868 361 T HN 0.155 nan 8.240 nan 0.000 0.435 362 P HA -0.056 nan 4.420 nan 0.000 0.229 362 P C 1.686 178.979 177.300 -0.013 0.000 1.150 362 P CA 1.195 64.288 63.100 -0.012 0.000 0.765 362 P CB -0.426 31.267 31.700 -0.011 0.000 0.783 363 S N 0.709 116.402 115.700 -0.012 0.000 2.469 363 S HA -0.191 4.279 4.470 0.000 0.000 0.238 363 S C 1.833 176.426 174.600 -0.013 0.000 0.998 363 S CA 1.188 59.381 58.200 -0.012 0.000 0.957 363 S CB -1.005 62.189 63.200 -0.010 0.000 0.764 363 S HN 0.343 nan 8.310 nan 0.000 0.514 364 E N 1.648 121.839 120.200 -0.015 0.000 2.204 364 E HA -0.124 4.226 4.350 0.000 0.000 0.194 364 E C 1.566 178.154 176.600 -0.020 0.000 0.989 364 E CA 1.248 57.637 56.400 -0.018 0.000 0.824 364 E CB -0.436 29.253 29.700 -0.019 0.000 0.756 364 E HN 0.528 nan 8.360 nan 0.000 0.477 365 D N 0.305 120.693 120.400 -0.019 0.000 2.137 365 D HA -0.132 4.508 4.640 0.000 0.000 0.202 365 D C 1.732 178.021 176.300 -0.019 0.000 0.970 365 D CA 0.931 54.918 54.000 -0.021 0.000 0.837 365 D CB 0.014 40.802 40.800 -0.020 0.000 0.981 365 D HN 0.058 nan 8.370 nan 0.000 0.475 366 Q N 0.244 120.034 119.800 -0.015 0.000 2.119 366 Q HA -0.037 4.303 4.340 0.000 0.000 0.201 366 Q C 2.548 178.541 176.000 -0.013 0.000 0.972 366 Q CA 0.598 56.393 55.803 -0.013 0.000 0.847 366 Q CB -0.513 28.219 28.738 -0.011 0.000 0.903 366 Q HN 0.412 nan 8.270 nan 0.000 0.433 367 L N 0.377 121.592 121.223 -0.014 0.000 2.093 367 L HA -0.130 4.210 4.340 0.000 0.000 0.208 367 L C 2.380 179.240 176.870 -0.016 0.000 1.085 367 L CA 1.044 55.876 54.840 -0.014 0.000 0.755 367 L CB -0.359 41.691 42.059 -0.014 0.000 0.904 367 L HN 0.165 nan 8.230 nan 0.000 0.435 368 K N 0.448 120.836 120.400 -0.020 0.000 2.097 368 K HA -0.120 4.200 4.320 0.000 0.000 0.206 368 K C 1.944 178.531 176.600 -0.021 0.000 1.049 368 K CA 1.315 57.587 56.287 -0.025 0.000 0.933 368 K CB -0.168 32.312 32.500 -0.033 0.000 0.717 368 K HN 0.313 nan 8.250 nan 0.000 0.442 369 I N 0.579 121.138 120.570 -0.018 0.000 3.176 369 I HA -0.107 4.064 4.170 0.000 0.000 0.275 369 I C 2.247 178.359 176.117 -0.009 0.000 1.298 369 I CA 0.349 61.640 61.300 -0.014 0.000 1.445 369 I CB -0.478 37.515 38.000 -0.013 0.000 1.075 369 I HN 0.230 nan 8.210 nan 0.000 0.482 370 G N 0.930 109.724 108.800 -0.010 0.000 2.514 370 G HA2 -0.172 3.789 3.960 0.000 0.000 0.217 370 G HA3 -0.172 3.789 3.960 0.000 0.000 0.217 370 G C 0.772 175.669 174.900 -0.005 0.000 1.198 370 G CA 0.356 45.451 45.100 -0.008 0.000 0.780 370 G HN 0.270 nan 8.290 nan 0.000 0.565 371 E N 1.001 121.197 120.200 -0.006 0.000 2.406 371 E HA 0.069 4.419 4.350 0.000 0.000 0.258 371 E C 1.231 177.831 176.600 0.001 0.000 1.043 371 E CA -0.113 56.285 56.400 -0.002 0.000 0.929 371 E CB 1.288 30.986 29.700 -0.003 0.000 0.969 371 E HN 0.351 nan 8.360 nan 0.000 0.462 372 E N 3.625 123.826 120.200 0.003 0.000 2.136 372 E HA -0.256 4.094 4.350 0.000 0.000 0.208 372 E C -0.128 176.477 176.600 0.009 0.000 1.035 372 E CA 1.813 58.216 56.400 0.006 0.000 0.838 372 E CB -0.000 29.705 29.700 0.008 0.000 0.748 372 E HN 0.378 nan 8.360 nan 0.000 0.459 373 K N -0.300 120.107 120.400 0.012 0.000 2.264 373 K HA 0.325 4.645 4.320 0.000 0.000 0.277 373 K C 0.505 177.114 176.600 0.015 0.000 1.067 373 K CA 0.033 56.331 56.287 0.019 0.000 0.900 373 K CB 0.987 33.502 32.500 0.026 0.000 1.124 373 K HN 0.011 nan 8.250 nan 0.000 0.469 374 I N 0.723 121.299 120.570 0.011 0.000 2.400 374 I HA -0.015 4.155 4.170 0.000 0.000 0.248 374 I C 0.545 176.662 176.117 0.000 0.000 1.109 374 I CA 0.387 61.686 61.300 -0.003 0.000 1.425 374 I CB 0.194 38.186 38.000 -0.013 0.000 1.094 374 I HN 0.562 nan 8.210 nan 0.000 0.425 375 R N -0.018 120.499 120.500 0.028 0.000 2.548 375 R HA 0.331 4.671 4.340 0.000 0.000 0.280 375 R C 0.127 176.514 176.300 0.144 0.000 1.061 375 R CA -0.502 55.637 56.100 0.066 0.000 0.915 375 R CB 1.186 31.498 30.300 0.020 0.000 1.210 375 R HN -0.186 nan 8.270 nan 0.000 0.442 376 R N 2.156 122.791 120.500 0.224 0.000 2.310 376 R HA 0.019 4.359 4.340 0.000 0.000 0.202 376 R C 0.403 176.857 176.300 0.257 0.000 0.933 376 R CA 0.401 56.619 56.100 0.196 0.000 1.054 376 R CB 0.143 30.528 30.300 0.142 0.000 0.985 376 R HN 0.608 nan 8.270 nan 0.000 0.489 377 W N 0.300 121.614 121.300 0.024 0.000 2.453 377 W HA -0.026 4.635 4.660 0.000 0.000 0.289 377 W C 1.560 178.136 176.519 0.097 0.000 1.215 377 W CA 0.374 57.752 57.345 0.056 0.000 1.297 377 W CB -0.349 29.135 29.460 0.040 0.000 1.113 377 W HN -0.037 nan 8.180 nan 0.000 0.551 378 L N 0.042 121.444 121.223 0.298 0.000 2.395 378 L HA 0.050 4.390 4.340 0.000 0.000 0.218 378 L C 2.395 179.399 176.870 0.223 0.000 1.130 378 L CA 1.507 56.472 54.840 0.208 0.000 0.826 378 L CB -1.514 40.589 42.059 0.073 0.000 0.941 378 L HN -0.044 nan 8.230 nan 0.000 0.451 379 A N -0.277 122.650 122.820 0.180 0.000 1.898 379 A HA 0.051 4.372 4.320 0.000 0.000 0.214 379 A C 2.501 180.156 177.584 0.119 0.000 1.183 379 A CA 1.372 53.489 52.037 0.134 0.000 0.622 379 A CB -0.677 18.383 19.000 0.101 0.000 0.824 379 A HN 0.320 nan 8.150 nan 0.000 0.444 380 A N -0.383 122.500 122.820 0.106 0.000 1.898 380 A HA 0.104 4.424 4.320 0.000 0.000 0.214 380 A C 2.078 179.731 177.584 0.115 0.000 1.183 380 A CA 1.173 53.252 52.037 0.070 0.000 0.622 380 A CB -0.578 18.422 19.000 -0.000 0.000 0.824 380 A HN 0.418 nan 8.150 nan 0.000 0.444 381 L N 0.136 121.476 121.223 0.195 0.000 2.187 381 L HA -0.205 4.135 4.340 0.000 0.000 0.213 381 L C 2.084 179.072 176.870 0.196 0.000 1.100 381 L CA 0.981 55.974 54.840 0.256 0.000 0.765 381 L CB -0.422 41.901 42.059 0.439 0.000 0.904 381 L HN 0.390 nan 8.230 nan 0.000 0.437 382 N N -1.323 117.496 118.700 0.197 0.000 2.290 382 N HA -0.115 4.625 4.740 0.000 0.000 0.179 382 N C 1.870 177.419 175.510 0.064 0.000 1.016 382 N CA 1.110 54.231 53.050 0.118 0.000 0.871 382 N CB -0.087 38.492 38.487 0.153 0.000 0.987 382 N HN 0.065 nan 8.380 nan 0.000 0.431 383 S N 0.119 115.860 115.700 0.069 0.000 2.653 383 S HA 0.122 4.592 4.470 0.000 0.000 0.233 383 S C 0.558 175.176 174.600 0.030 0.000 0.970 383 S CA 0.120 58.346 58.200 0.043 0.000 0.947 383 S CB -0.246 62.977 63.200 0.038 0.000 0.771 383 S HN 0.149 nan 8.310 nan 0.000 0.538 384 M N 1.255 120.874 119.600 0.032 0.000 2.472 384 M HA 0.293 4.773 4.480 0.000 0.000 0.331 384 M C 0.389 176.691 176.300 0.003 0.000 1.170 384 M CA -0.470 54.838 55.300 0.014 0.000 1.009 384 M CB 1.810 34.422 32.600 0.019 0.000 1.672 384 M HN -0.090 nan 8.290 nan 0.000 0.453 385 T N 1.090 115.631 114.554 -0.022 0.000 2.855 385 T HA -0.041 4.309 4.350 0.000 0.000 0.322 385 T C 0.734 175.411 174.700 -0.039 0.000 1.088 385 T CA 0.336 62.408 62.100 -0.046 0.000 1.104 385 T CB 0.145 68.936 68.868 -0.129 0.000 0.996 385 T HN 0.670 nan 8.240 nan 0.000 0.549 386 Y N -0.200 120.066 120.300 -0.056 0.000 2.578 386 Y HA 0.319 4.869 4.550 0.000 0.000 0.297 386 Y C 1.672 177.538 175.900 -0.058 0.000 1.176 386 Y CA 0.284 58.342 58.100 -0.070 0.000 1.315 386 Y CB -0.062 38.355 38.460 -0.073 0.000 1.031 386 Y HN 0.256 nan 8.280 nan 0.000 0.524 387 K N 0.816 120.968 120.400 -0.414 0.000 2.306 387 K HA 0.009 4.329 4.320 0.000 0.000 0.200 387 K C 1.605 178.102 176.600 -0.172 0.000 1.083 387 K CA 0.805 56.901 56.287 -0.318 0.000 0.959 387 K CB -0.093 32.154 32.500 -0.421 0.000 0.994 387 K HN 0.508 nan 8.250 nan 0.000 0.492 388 E N 1.168 121.273 120.200 -0.157 0.000 2.463 388 E HA -0.073 4.278 4.350 0.000 0.000 0.201 388 E C 1.403 177.955 176.600 -0.080 0.000 1.045 388 E CA 0.390 56.732 56.400 -0.097 0.000 0.872 388 E CB 0.114 29.768 29.700 -0.077 0.000 0.797 388 E HN 0.152 nan 8.360 nan 0.000 0.538 389 L N 0.135 121.307 121.223 -0.085 0.000 2.446 389 L HA 0.023 4.363 4.340 0.000 0.000 0.219 389 L C 2.158 178.954 176.870 -0.124 0.000 1.116 389 L CA 0.301 55.084 54.840 -0.095 0.000 0.844 389 L CB -0.021 42.005 42.059 -0.055 0.000 0.970 389 L HN 0.135 nan 8.230 nan 0.000 0.457 390 E N 0.262 120.406 120.200 -0.095 0.000 2.021 390 E HA 0.003 4.353 4.350 0.000 0.000 0.191 390 E C 0.362 176.912 176.600 -0.084 0.000 0.971 390 E CA 0.458 56.808 56.400 -0.083 0.000 0.825 390 E CB 0.244 29.908 29.700 -0.059 0.000 0.788 390 E HN 0.276 nan 8.360 nan 0.000 0.460 391 N N 1.704 120.362 118.700 -0.070 0.000 2.955 391 N HA 0.140 4.880 4.740 0.000 0.000 0.242 391 N C -2.214 173.269 175.510 -0.045 0.000 1.123 391 N CA -0.999 52.020 53.050 -0.052 0.000 0.949 391 N CB 1.337 39.798 38.487 -0.043 0.000 1.214 391 N HN 0.022 nan 8.380 nan 0.000 0.504 392 P HA 0.048 nan 4.420 nan 0.000 0.241 392 P C 0.987 178.288 177.300 0.002 0.000 1.191 392 P CA 0.422 63.514 63.100 -0.014 0.000 0.771 392 P CB 0.409 32.113 31.700 0.006 0.000 0.929 393 N N 0.328 119.028 118.700 -0.001 0.000 2.609 393 N HA -0.067 4.673 4.740 0.000 0.000 0.190 393 N C 1.264 176.772 175.510 -0.003 0.000 1.157 393 N CA 0.416 53.468 53.050 0.005 0.000 0.918 393 N CB -0.486 38.003 38.487 0.003 0.000 0.978 393 N HN 0.270 nan 8.380 nan 0.000 0.448 394 I N -2.736 117.828 120.570 -0.010 0.000 3.603 394 I HA 0.173 4.343 4.170 0.000 0.000 0.297 394 I C -0.290 175.820 176.117 -0.013 0.000 1.269 394 I CA -0.187 61.104 61.300 -0.015 0.000 1.361 394 I CB 0.143 38.128 38.000 -0.025 0.000 1.063 394 I HN -0.274 nan 8.210 nan 0.000 0.448 395 I N 3.425 123.991 120.570 -0.008 0.000 2.710 395 I HA 0.031 4.201 4.170 0.000 0.000 0.286 395 I C 0.187 176.301 176.117 -0.004 0.000 1.181 395 I CA 0.829 62.126 61.300 -0.005 0.000 1.430 395 I CB -0.094 37.909 38.000 0.004 0.000 1.367 395 I HN 0.237 nan 8.210 nan 0.000 0.577 396 D N 4.990 125.386 120.400 -0.006 0.000 2.525 396 D HA 0.297 4.937 4.640 0.000 0.000 0.249 396 D C 0.776 177.073 176.300 -0.006 0.000 1.072 396 D CA -0.628 53.369 54.000 -0.005 0.000 1.067 396 D CB 0.960 41.756 40.800 -0.007 0.000 1.282 396 D HN 0.302 nan 8.370 nan 0.000 0.587 397 K N -0.008 120.388 120.400 -0.005 0.000 2.148 397 K HA -0.086 4.234 4.320 0.000 0.000 0.204 397 K C 1.944 178.540 176.600 -0.007 0.000 1.050 397 K CA 1.044 57.327 56.287 -0.006 0.000 0.942 397 K CB 0.014 32.511 32.500 -0.005 0.000 0.724 397 K HN 0.322 nan 8.250 nan 0.000 0.446 398 S N 1.126 116.822 115.700 -0.006 0.000 2.371 398 S HA -0.107 4.363 4.470 0.000 0.000 0.224 398 S C 1.995 176.591 174.600 -0.007 0.000 1.029 398 S CA 0.576 58.773 58.200 -0.007 0.000 0.978 398 S CB -0.119 63.077 63.200 -0.007 0.000 0.833 398 S HN 0.204 nan 8.310 nan 0.000 0.466 399 R N 0.239 120.734 120.500 -0.008 0.000 2.115 399 R HA 0.205 4.545 4.340 0.000 0.000 0.230 399 R C 2.506 178.802 176.300 -0.008 0.000 1.111 399 R CA 1.545 57.640 56.100 -0.009 0.000 0.976 399 R CB -0.379 29.914 30.300 -0.011 0.000 0.870 399 R HN 0.442 nan 8.270 nan 0.000 0.445 400 M N -0.387 119.208 119.600 -0.008 0.000 2.319 400 M HA -0.088 4.392 4.480 0.000 0.000 0.265 400 M C 2.302 178.594 176.300 -0.012 0.000 1.068 400 M CA 1.271 56.564 55.300 -0.011 0.000 1.118 400 M CB 0.040 32.633 32.600 -0.012 0.000 1.395 400 M HN 0.056 nan 8.290 nan 0.000 0.435 401 R N 0.086 120.580 120.500 -0.009 0.000 2.210 401 R HA -0.042 4.298 4.340 0.000 0.000 0.203 401 R C 2.281 178.577 176.300 -0.006 0.000 1.010 401 R CA 0.469 56.564 56.100 -0.009 0.000 1.008 401 R CB 0.033 30.329 30.300 -0.007 0.000 0.923 401 R HN 0.250 nan 8.270 nan 0.000 0.469 402 R N 1.673 122.170 120.500 -0.005 0.000 2.070 402 R HA -0.120 4.220 4.340 0.000 0.000 0.232 402 R C 2.195 178.495 176.300 -0.001 0.000 1.138 402 R CA 2.053 58.151 56.100 -0.003 0.000 0.936 402 R CB -0.570 29.728 30.300 -0.005 0.000 0.839 402 R HN 0.397 nan 8.270 nan 0.000 0.429 403 I N -1.203 119.366 120.570 -0.002 0.000 2.454 403 I HA -0.042 4.128 4.170 0.000 0.000 0.254 403 I C 2.313 178.429 176.117 -0.001 0.000 1.156 403 I CA 1.465 62.766 61.300 0.001 0.000 1.433 403 I CB -0.605 37.396 38.000 0.001 0.000 1.082 403 I HN 0.143 nan 8.210 nan 0.000 0.432 404 A N 2.715 125.531 122.820 -0.007 0.000 1.843 404 A HA -0.188 4.132 4.320 0.000 0.000 0.213 404 A C 2.392 179.974 177.584 -0.003 0.000 1.202 404 A CA 1.503 53.533 52.037 -0.011 0.000 0.607 404 A CB -0.795 18.195 19.000 -0.016 0.000 0.847 404 A HN 0.689 nan 8.150 nan 0.000 0.445 405 E N -0.384 119.815 120.200 -0.001 0.000 2.110 405 E HA -0.052 4.299 4.350 0.000 0.000 0.193 405 E C 1.850 178.454 176.600 0.007 0.000 0.988 405 E CA 1.141 57.543 56.400 0.002 0.000 0.804 405 E CB -0.727 28.974 29.700 0.001 0.000 0.745 405 E HN 0.399 nan 8.360 nan 0.000 0.458 406 G N 1.401 110.205 108.800 0.008 0.000 2.432 406 G HA2 -0.304 3.656 3.960 0.000 0.000 0.219 406 G HA3 -0.304 3.656 3.960 0.000 0.000 0.219 406 G C 1.803 176.714 174.900 0.019 0.000 1.135 406 G CA 1.085 46.192 45.100 0.013 0.000 0.767 406 G HN 0.459 nan 8.290 nan 0.000 0.550 407 S N -1.083 114.629 115.700 0.019 0.000 2.501 407 S HA 0.377 4.847 4.470 0.000 0.000 0.220 407 S C 1.906 176.522 174.600 0.026 0.000 0.997 407 S CA 1.003 59.220 58.200 0.028 0.000 0.919 407 S CB 0.196 63.414 63.200 0.030 0.000 0.778 407 S HN 1.474 nan 8.310 nan 0.000 0.523 408 G N 0.415 109.225 108.800 0.017 0.000 2.213 408 G HA2 -0.196 3.764 3.960 0.000 0.000 0.226 408 G HA3 -0.196 3.764 3.960 0.000 0.000 0.226 408 G C -0.042 174.866 174.900 0.012 0.000 0.992 408 G CA 0.102 45.212 45.100 0.016 0.000 0.632 408 G HN 0.407 nan 8.290 nan 0.000 0.511 409 L N 0.786 122.015 121.223 0.008 0.000 2.540 409 L HA 0.694 5.035 4.340 0.000 0.000 0.215 409 L C 0.948 177.814 176.870 -0.007 0.000 1.204 409 L CA 0.006 54.845 54.840 -0.000 0.000 0.841 409 L CB 0.147 42.197 42.059 -0.015 0.000 1.420 409 L HN 0.310 nan 8.230 nan 0.000 0.519 410 E N -1.571 118.620 120.200 -0.015 0.000 2.263 410 E HA 0.272 4.622 4.350 0.000 0.000 0.264 410 E C 0.691 177.275 176.600 -0.026 0.000 0.923 410 E CA -0.749 55.642 56.400 -0.015 0.000 0.802 410 E CB 1.881 31.574 29.700 -0.011 0.000 1.228 410 E HN 0.250 nan 8.360 nan 0.000 0.417 411 V N 1.746 121.647 119.914 -0.022 0.000 2.660 411 V HA -0.284 3.836 4.120 0.000 0.000 0.257 411 V C 1.526 177.599 176.094 -0.035 0.000 1.088 411 V CA 1.918 64.202 62.300 -0.026 0.000 1.106 411 V CB -0.841 30.971 31.823 -0.018 0.000 0.686 411 V HN 0.649 nan 8.190 nan 0.000 0.481 412 E N -0.047 120.135 120.200 -0.031 0.000 2.076 412 E HA -0.161 4.189 4.350 0.000 0.000 0.190 412 E C 2.183 178.751 176.600 -0.053 0.000 0.979 412 E CA 0.961 57.341 56.400 -0.034 0.000 0.807 412 E CB -0.144 29.544 29.700 -0.021 0.000 0.761 412 E HN 0.663 nan 8.360 nan 0.000 0.454 413 E N 0.665 120.831 120.200 -0.055 0.000 2.153 413 E HA -0.137 4.213 4.350 0.000 0.000 0.194 413 E C 2.083 178.577 176.600 -0.177 0.000 0.988 413 E CA 0.906 57.257 56.400 -0.082 0.000 0.811 413 E CB 0.188 29.859 29.700 -0.049 0.000 0.746 413 E HN 0.062 nan 8.360 nan 0.000 0.466 414 V N 0.587 120.415 119.914 -0.143 0.000 2.488 414 V HA -0.151 3.970 4.120 0.000 0.000 0.246 414 V C 2.138 178.138 176.094 -0.156 0.000 1.046 414 V CA 1.299 63.497 62.300 -0.170 0.000 1.053 414 V CB -0.355 31.411 31.823 -0.094 0.000 0.679 414 V HN 0.138 nan 8.190 nan 0.000 0.458 415 R N 0.077 120.517 120.500 -0.100 0.000 2.073 415 R HA -0.144 4.196 4.340 0.000 0.000 0.234 415 R C 2.417 178.662 176.300 -0.091 0.000 1.134 415 R CA 1.561 57.620 56.100 -0.069 0.000 0.952 415 R CB -0.317 29.959 30.300 -0.039 0.000 0.850 415 R HN 0.525 nan 8.270 nan 0.000 0.433 416 E N 0.976 121.109 120.200 -0.110 0.000 2.049 416 E HA -0.254 4.096 4.350 0.000 0.000 0.198 416 E C 2.067 178.543 176.600 -0.206 0.000 1.007 416 E CA 1.150 57.489 56.400 -0.103 0.000 0.809 416 E CB -0.542 29.109 29.700 -0.081 0.000 0.749 416 E HN 0.197 nan 8.360 nan 0.000 0.450 417 L N 1.075 122.011 121.223 -0.479 0.000 1.978 417 L HA -0.238 4.102 4.340 0.000 0.000 0.218 417 L C 2.472 179.012 176.870 -0.550 0.000 1.075 417 L CA 1.742 56.047 54.840 -0.892 0.000 0.767 417 L CB -0.669 40.819 42.059 -0.951 0.000 0.890 417 L HN 0.079 nan 8.230 nan 0.000 0.434 418 L N -0.506 120.577 121.223 -0.235 0.000 2.012 418 L HA -0.218 4.122 4.340 0.000 0.000 0.210 418 L C 2.703 179.599 176.870 0.043 0.000 1.073 418 L CA 1.406 56.252 54.840 0.009 0.000 0.748 418 L CB -0.947 41.138 42.059 0.043 0.000 0.891 418 L HN 0.359 nan 8.230 nan 0.000 0.431 419 E N -0.542 119.673 120.200 0.025 0.000 2.118 419 E HA -0.281 4.069 4.350 0.000 0.000 0.195 419 E C 1.823 178.530 176.600 0.178 0.000 0.992 419 E CA 1.429 57.882 56.400 0.087 0.000 0.804 419 E CB -0.449 29.296 29.700 0.074 0.000 0.741 419 E HN 0.673 nan 8.360 nan 0.000 0.458 420 W N 0.524 121.771 121.300 -0.088 0.000 2.381 420 W HA -0.256 4.404 4.660 0.000 0.000 0.301 420 W C 1.570 178.098 176.519 0.015 0.000 1.205 420 W CA 0.877 58.205 57.345 -0.029 0.000 1.285 420 W CB -0.155 29.323 29.460 0.029 0.000 1.133 420 W HN 0.051 nan 8.180 nan 0.000 0.521 421 Y N 1.422 121.776 120.300 0.090 0.000 2.097 421 Y HA -0.290 4.260 4.550 0.000 0.000 0.282 421 Y C 2.570 178.394 175.900 -0.126 0.000 1.152 421 Y CA 1.926 59.970 58.100 -0.092 0.000 1.136 421 Y CB -1.468 36.990 38.460 -0.003 0.000 0.975 421 Y HN 0.013 nan 8.280 nan 0.000 0.498 422 N N 0.211 118.982 118.700 0.118 0.000 2.120 422 N HA -0.170 4.570 4.740 0.000 0.000 0.188 422 N C 1.439 176.947 175.510 -0.004 0.000 1.024 422 N CA 1.339 54.418 53.050 0.049 0.000 0.852 422 N CB -0.862 37.663 38.487 0.063 0.000 1.003 422 N HN 0.536 nan 8.380 nan 0.000 0.424 423 N N 0.166 118.870 118.700 0.008 0.000 2.258 423 N HA -0.101 4.639 4.740 0.000 0.000 0.187 423 N C 1.343 176.790 175.510 -0.105 0.000 1.012 423 N CA 0.825 53.878 53.050 0.006 0.000 0.870 423 N CB 0.021 38.588 38.487 0.133 0.000 0.977 423 N HN 0.165 nan 8.380 nan 0.000 0.434 424 M N -0.033 119.415 119.600 -0.253 0.000 2.394 424 M HA 0.005 4.485 4.480 0.000 0.000 0.266 424 M C 1.629 177.842 176.300 -0.145 0.000 1.098 424 M CA 0.830 55.945 55.300 -0.309 0.000 1.149 424 M CB -1.146 31.147 32.600 -0.511 0.000 1.369 424 M HN 0.069 nan 8.290 nan 0.000 0.450 425 N N 0.913 119.557 118.700 -0.092 0.000 2.084 425 N HA -0.169 4.571 4.740 0.000 0.000 0.190 425 N C 1.808 177.297 175.510 -0.035 0.000 1.030 425 N CA 1.499 54.522 53.050 -0.045 0.000 0.849 425 N CB -0.097 38.380 38.487 -0.015 0.000 1.012 425 N HN 0.305 nan 8.380 nan 0.000 0.423 426 R N 0.113 120.596 120.500 -0.029 0.000 2.075 426 R HA -0.009 4.331 4.340 0.000 0.000 0.232 426 R C 2.112 178.401 176.300 -0.018 0.000 1.126 426 R CA 0.856 56.948 56.100 -0.015 0.000 0.963 426 R CB -0.317 29.983 30.300 -0.001 0.000 0.858 426 R HN 0.257 nan 8.270 nan 0.000 0.435 427 L N 0.751 121.955 121.223 -0.032 0.000 1.994 427 L HA -0.205 4.135 4.340 0.000 0.000 0.208 427 L C 2.575 179.430 176.870 -0.025 0.000 1.071 427 L CA 1.291 56.115 54.840 -0.026 0.000 0.745 427 L CB -0.396 41.636 42.059 -0.044 0.000 0.892 427 L HN 0.296 nan 8.230 nan 0.000 0.431 428 L N -0.443 120.757 121.223 -0.038 0.000 2.265 428 L HA -0.212 4.128 4.340 0.000 0.000 0.215 428 L C 2.548 179.408 176.870 -0.018 0.000 1.117 428 L CA 1.136 55.959 54.840 -0.028 0.000 0.782 428 L CB -0.161 41.878 42.059 -0.034 0.000 0.914 428 L HN 0.247 nan 8.230 nan 0.000 0.441 429 K N -0.898 119.491 120.400 -0.017 0.000 2.097 429 K HA -0.128 4.192 4.320 0.000 0.000 0.205 429 K C 1.402 177.999 176.600 -0.006 0.000 1.050 429 K CA 1.012 57.293 56.287 -0.010 0.000 0.938 429 K CB -0.015 32.480 32.500 -0.009 0.000 0.718 429 K HN 0.151 nan 8.250 nan 0.000 0.442 430 M N 0.763 120.359 119.600 -0.005 0.000 2.704 430 M HA 0.041 4.522 4.480 0.000 0.000 0.215 430 M C -0.660 175.639 176.300 -0.001 0.000 1.156 430 M CA 0.374 55.673 55.300 -0.001 0.000 1.002 430 M CB 0.047 32.648 32.600 0.002 0.000 1.781 430 M HN -0.212 nan 8.290 nan 0.000 0.486 431 V N -2.239 117.674 119.914 -0.003 0.000 3.206 431 V HA 0.989 5.109 4.120 0.000 0.000 0.305 431 V C -0.219 175.874 176.094 -0.002 0.000 1.257 431 V CA -0.756 61.543 62.300 -0.002 0.000 1.057 431 V CB 1.904 33.726 31.823 -0.002 0.000 1.075 431 V HN 0.165 nan 8.190 nan 0.000 0.443 432 K N 0.000 120.399 120.400 -0.001 0.000 2.780 432 K HA 0.000 4.320 4.320 0.000 0.000 0.191 432 K CA 0.000 nan 56.287 nan 0.000 0.838 432 K CB 0.000 nan 32.500 nan 0.000 1.064 432 K HN 0.000 nan 8.250 nan 0.000 0.543