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 2qyv_1_A DATA FIRST_RESID 5 DATA SEQUENCE QSLQPKLLWQ WFDQICAIPH PSYKEEQLAQ FIINWAKTKG FFAERDEVGN DATA SEQUENCE VLIRKPATVG XENRKPVVLQ AHLDXVPQXX XXXXXXXXQD PILPYIDGDW DATA SEQUENCE VKAKGTTLGA DNGIGXASAL AVLESNDIAH PELEVLLTXT EERGXEGAIG DATA SEQUENCE LRPNWLRSEI LINTDTEENG EIYIGCAGGE NADLELPIEY QVNNFEHCYQ DATA SEQUENCE VVLKGLRGGH SGVDIHTGRA NAIKVLLRFL AELQQNQPHF DFTLANIRGG DATA SEQUENCE SIRNAIPRES VATLVFNGDI TVLQSAVQKF ADVIKAELAL TEPNLIFTLE DATA SEQUENCE KVEKPQQVFS SQCTKNIIHC LNVLPNGVVR NSDVIENVVE TSLSIGVLKT DATA SEQUENCE EDNFVRSTXL VRSLIESGKS YVASLLKSLA SLAQGNINLS GDYPGWEPQS DATA SEQUENCE HSDILDLTKT IYAQVLGTDP EIKVIHAGLE CGLLKKIYPT IDXVSIGPTI DATA SEQUENCE RNAHSPDEKV HIPAVETYWK VLTGILAHIP SR 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 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 175.991 176.000 -0.015 0.000 1.003 5 Q CA 0.000 55.815 55.803 0.019 0.000 1.022 5 Q CB 0.000 28.738 28.738 0.000 0.000 1.108 6 S N -0.226 115.430 115.700 -0.073 0.000 2.371 6 S HA 0.465 4.936 4.470 0.001 0.000 0.221 6 S C 1.444 175.956 174.600 -0.147 0.000 1.036 6 S CA 1.665 59.805 58.200 -0.101 0.000 0.965 6 S CB -0.446 62.686 63.200 -0.113 0.000 0.845 6 S HN 1.346 nan 8.310 nan 0.000 0.475 7 L N -0.542 120.495 121.223 -0.310 0.000 2.466 7 L HA 0.805 5.146 4.340 0.001 0.000 0.257 7 L C 0.390 177.145 176.870 -0.191 0.000 1.189 7 L CA -0.562 54.025 54.840 -0.423 0.000 0.813 7 L CB -0.668 40.868 42.059 -0.872 0.000 1.118 7 L HN 0.780 nan 8.230 nan 0.000 0.471 8 Q N 0.338 120.101 119.800 -0.061 0.000 2.245 8 Q HA 0.671 5.012 4.340 0.001 0.000 0.256 8 Q C -2.444 173.695 176.000 0.232 0.000 0.942 8 Q CA -2.028 53.831 55.803 0.093 0.000 0.896 8 Q CB 0.536 29.288 28.738 0.024 0.000 1.272 8 Q HN 0.830 nan 8.270 nan 0.000 0.442 9 P HA 0.187 nan 4.420 nan 0.000 0.271 9 P C 0.621 177.883 177.300 -0.063 0.000 1.233 9 P CA 0.477 63.458 63.100 -0.198 0.000 0.764 9 P CB 0.770 31.921 31.700 -0.915 0.000 0.825 10 K N 4.116 124.506 120.400 -0.018 0.000 2.020 10 K HA -0.165 4.156 4.320 0.001 0.000 0.212 10 K C 2.063 178.672 176.600 0.015 0.000 1.050 10 K CA 1.875 58.186 56.287 0.039 0.000 0.929 10 K CB -1.633 30.879 32.500 0.020 0.000 0.714 10 K HN 0.471 nan 8.250 nan 0.000 0.443 11 L N -0.230 120.955 121.223 -0.062 0.000 2.042 11 L HA -0.123 4.218 4.340 0.001 0.000 0.210 11 L C 2.844 179.718 176.870 0.008 0.000 1.076 11 L CA 1.562 56.400 54.840 -0.004 0.000 0.749 11 L CB -0.433 41.650 42.059 0.040 0.000 0.893 11 L HN 0.487 nan 8.230 nan 0.000 0.432 12 L N -1.106 119.966 121.223 -0.252 0.000 1.994 12 L HA -0.237 4.104 4.340 0.001 0.000 0.208 12 L C 2.398 179.176 176.870 -0.153 0.000 1.071 12 L CA 1.838 56.492 54.840 -0.310 0.000 0.745 12 L CB -0.301 41.333 42.059 -0.709 0.000 0.892 12 L HN 0.211 nan 8.230 nan 0.000 0.431 13 W N 0.021 121.294 121.300 -0.045 0.000 2.388 13 W HA -0.148 4.512 4.660 0.001 0.000 0.294 13 W C 2.720 179.282 176.519 0.073 0.000 1.212 13 W CA 0.815 58.185 57.345 0.041 0.000 1.271 13 W CB -0.159 29.288 29.460 -0.021 0.000 1.126 13 W HN 0.207 nan 8.180 nan 0.000 0.535 14 Q N -1.369 118.560 119.800 0.215 0.000 2.124 14 Q HA -0.242 4.099 4.340 0.001 0.000 0.202 14 Q C 1.890 177.871 176.000 -0.032 0.000 0.977 14 Q CA 1.763 57.594 55.803 0.047 0.000 0.850 14 Q CB -0.634 28.073 28.738 -0.051 0.000 0.901 14 Q HN 0.440 nan 8.270 nan 0.000 0.429 15 W N -0.498 120.787 121.300 -0.024 0.000 2.381 15 W HA -0.171 4.490 4.660 0.001 0.000 0.301 15 W C 1.945 178.442 176.519 -0.037 0.000 1.205 15 W CA 0.460 57.752 57.345 -0.088 0.000 1.285 15 W CB -0.144 29.229 29.460 -0.145 0.000 1.133 15 W HN 0.131 nan 8.180 nan 0.000 0.521 16 F N 1.385 121.423 119.950 0.147 0.000 2.134 16 F HA -0.224 4.304 4.527 0.001 0.000 0.299 16 F C 2.031 177.889 175.800 0.096 0.000 1.097 16 F CA 2.165 60.211 58.000 0.076 0.000 1.264 16 F CB -0.899 38.113 39.000 0.020 0.000 1.001 16 F HN -0.232 nan 8.300 nan 0.000 0.479 17 D N -0.150 120.299 120.400 0.081 0.000 2.123 17 D HA -0.245 4.396 4.640 0.001 0.000 0.196 17 D C 2.171 178.381 176.300 -0.150 0.000 0.992 17 D CA 1.383 55.351 54.000 -0.054 0.000 0.833 17 D CB -0.291 40.528 40.800 0.032 0.000 0.954 17 D HN 0.331 nan 8.370 nan 0.000 0.455 18 Q N 0.077 119.787 119.800 -0.149 0.000 2.135 18 Q HA -0.072 4.269 4.340 0.001 0.000 0.204 18 Q C 2.101 177.963 176.000 -0.230 0.000 0.981 18 Q CA 1.325 56.980 55.803 -0.247 0.000 0.856 18 Q CB -0.420 28.091 28.738 -0.378 0.000 0.902 18 Q HN 0.442 nan 8.270 nan 0.000 0.425 19 I N -0.756 119.723 120.570 -0.151 0.000 2.252 19 I HA -0.308 3.863 4.170 0.001 0.000 0.245 19 I C 2.164 178.166 176.117 -0.193 0.000 1.102 19 I CA 0.728 61.905 61.300 -0.205 0.000 1.385 19 I CB -0.215 37.673 38.000 -0.187 0.000 1.064 19 I HN 0.297 nan 8.210 nan 0.000 0.414 20 C N 0.561 119.687 119.300 -0.289 0.000 2.440 20 C HA -0.089 4.371 4.460 0.001 0.000 0.278 20 C C 3.141 178.071 174.990 -0.100 0.000 1.295 20 C CA 0.782 59.682 59.018 -0.197 0.000 1.738 20 C CB -1.242 26.294 27.740 -0.340 0.000 1.987 20 C HN 0.587 nan 8.230 nan 0.000 0.492 21 A N -0.018 122.721 122.820 -0.135 0.000 2.019 21 A HA 0.010 4.330 4.320 0.001 0.000 0.219 21 A C 0.937 178.467 177.584 -0.089 0.000 1.164 21 A CA 1.067 53.036 52.037 -0.115 0.000 0.644 21 A CB -0.461 18.445 19.000 -0.157 0.000 0.805 21 A HN 0.640 nan 8.150 nan 0.000 0.449 22 I N 1.861 122.382 120.570 -0.081 0.000 2.306 22 I HA 0.213 4.383 4.170 0.001 0.000 0.288 22 I C -2.362 173.822 176.117 0.112 0.000 1.036 22 I CA -2.437 58.846 61.300 -0.028 0.000 1.221 22 I CB 1.443 39.387 38.000 -0.094 0.000 1.385 22 I HN 0.021 nan 8.210 nan 0.000 0.472 23 P HA -0.056 nan 4.420 nan 0.000 0.261 23 P C -0.354 177.007 177.300 0.102 0.000 1.183 23 P CA 0.529 63.651 63.100 0.038 0.000 0.761 23 P CB 0.191 31.896 31.700 0.009 0.000 0.785 24 H N 2.058 121.130 119.070 0.003 0.000 2.924 24 H HA 0.308 4.865 4.556 0.001 0.000 0.229 24 H C -2.587 172.755 175.328 0.024 0.000 1.345 24 H CA -1.929 54.130 56.048 0.017 0.000 1.044 24 H CB -0.233 29.536 29.762 0.012 0.000 2.221 24 H HN 0.201 nan 8.280 nan 0.000 0.574 25 P HA -0.044 nan 4.420 nan 0.000 0.271 25 P C 1.042 178.336 177.300 -0.011 0.000 1.244 25 P CA -0.116 62.941 63.100 -0.071 0.000 0.793 25 P CB 1.133 32.813 31.700 -0.034 0.000 0.984 26 S N -0.369 115.301 115.700 -0.051 0.000 2.889 26 S HA -0.059 4.412 4.470 0.001 0.000 0.235 26 S C -0.045 174.325 174.600 -0.384 0.000 0.978 26 S CA 0.405 58.494 58.200 -0.184 0.000 1.010 26 S CB -1.330 61.731 63.200 -0.231 0.000 0.799 26 S HN 0.400 nan 8.310 nan 0.000 0.534 27 Y N -1.270 119.042 120.300 0.019 0.000 2.861 27 Y HA 0.286 4.836 4.550 0.001 0.000 0.284 27 Y C 1.125 177.044 175.900 0.031 0.000 1.006 27 Y CA -0.086 58.027 58.100 0.021 0.000 1.245 27 Y CB 0.134 38.601 38.460 0.011 0.000 1.415 27 Y HN 0.181 nan 8.280 nan 0.000 0.586 28 K N 0.456 120.945 120.400 0.148 0.000 2.832 28 K HA 0.423 4.744 4.320 0.001 0.000 0.211 28 K C 0.567 177.234 176.600 0.112 0.000 1.112 28 K CA 0.020 56.377 56.287 0.117 0.000 1.108 28 K CB -0.667 31.887 32.500 0.090 0.000 0.899 28 K HN 0.328 nan 8.250 nan 0.000 0.464 29 E N 0.012 120.279 120.200 0.111 0.000 2.478 29 E HA -0.100 4.251 4.350 0.001 0.000 0.198 29 E C 1.553 178.217 176.600 0.106 0.000 1.046 29 E CA 0.604 57.073 56.400 0.114 0.000 0.870 29 E CB 0.276 30.029 29.700 0.089 0.000 0.818 29 E HN 0.686 nan 8.360 nan 0.000 0.527 30 E N 1.411 121.672 120.200 0.101 0.000 2.038 30 E HA -0.282 4.068 4.350 0.001 0.000 0.195 30 E C 2.000 178.665 176.600 0.107 0.000 1.000 30 E CA 1.591 58.048 56.400 0.095 0.000 0.803 30 E CB -0.083 29.668 29.700 0.084 0.000 0.750 30 E HN 0.322 nan 8.360 nan 0.000 0.448 31 Q N -0.602 119.263 119.800 0.109 0.000 2.077 31 Q HA -0.213 4.128 4.340 0.001 0.000 0.206 31 Q C 2.176 178.273 176.000 0.161 0.000 0.989 31 Q CA 1.820 57.698 55.803 0.125 0.000 0.853 31 Q CB -0.271 28.527 28.738 0.100 0.000 0.907 31 Q HN 0.361 nan 8.270 nan 0.000 0.418 32 L N 0.327 121.627 121.223 0.129 0.000 2.027 32 L HA -0.055 4.286 4.340 0.001 0.000 0.206 32 L C 2.242 179.212 176.870 0.168 0.000 1.074 32 L CA 2.201 57.113 54.840 0.121 0.000 0.745 32 L CB -1.021 41.051 42.059 0.022 0.000 0.898 32 L HN 0.260 nan 8.230 nan 0.000 0.433 33 A N -1.052 121.843 122.820 0.124 0.000 1.917 33 A HA -0.251 4.070 4.320 0.001 0.000 0.219 33 A C 2.131 179.801 177.584 0.144 0.000 1.182 33 A CA 1.857 53.964 52.037 0.116 0.000 0.633 33 A CB -0.576 18.481 19.000 0.095 0.000 0.819 33 A HN 0.632 nan 8.150 nan 0.000 0.448 34 Q N -1.833 118.059 119.800 0.152 0.000 2.172 34 Q HA -0.085 4.255 4.340 0.001 0.000 0.200 34 Q C 1.882 177.991 176.000 0.182 0.000 0.964 34 Q CA 1.141 57.029 55.803 0.141 0.000 0.855 34 Q CB -0.480 28.330 28.738 0.121 0.000 0.918 34 Q HN 0.754 nan 8.270 nan 0.000 0.444 35 F N 1.225 121.245 119.950 0.116 0.000 2.186 35 F HA -0.135 4.392 4.527 0.001 0.000 0.299 35 F C 1.998 177.948 175.800 0.250 0.000 1.090 35 F CA 0.936 59.030 58.000 0.158 0.000 1.307 35 F CB -0.041 39.039 39.000 0.133 0.000 1.019 35 F HN -0.066 nan 8.300 nan 0.000 0.489 36 I N -0.312 120.500 120.570 0.403 0.000 2.202 36 I HA -0.298 3.873 4.170 0.001 0.000 0.242 36 I C 2.276 178.586 176.117 0.321 0.000 1.091 36 I CA 0.644 62.160 61.300 0.360 0.000 1.368 36 I CB -0.426 37.675 38.000 0.168 0.000 1.058 36 I HN 0.092 nan 8.210 nan 0.000 0.410 37 I N 1.012 121.698 120.570 0.193 0.000 2.142 37 I HA -0.315 3.856 4.170 0.001 0.000 0.240 37 I C 2.350 178.526 176.117 0.099 0.000 1.078 37 I CA 1.847 63.224 61.300 0.129 0.000 1.343 37 I CB -1.560 36.483 38.000 0.072 0.000 1.046 37 I HN 0.360 nan 8.210 nan 0.000 0.405 38 N N 0.318 119.053 118.700 0.058 0.000 2.104 38 N HA -0.278 4.463 4.740 0.001 0.000 0.190 38 N C 1.908 177.413 175.510 -0.008 0.000 1.024 38 N CA 1.714 54.757 53.050 -0.011 0.000 0.853 38 N CB -0.448 38.001 38.487 -0.064 0.000 1.008 38 N HN 0.406 nan 8.380 nan 0.000 0.424 39 W N 1.143 122.354 121.300 -0.148 0.000 2.355 39 W HA -0.049 4.611 4.660 0.001 0.000 0.309 39 W C 2.285 178.826 176.519 0.037 0.000 1.206 39 W CA 2.287 59.583 57.345 -0.081 0.000 1.284 39 W CB -0.768 28.707 29.460 0.026 0.000 1.145 39 W HN 0.155 nan 8.180 nan 0.000 0.502 40 A N 0.881 123.829 122.820 0.213 0.000 1.903 40 A HA -0.303 4.017 4.320 0.001 0.000 0.219 40 A C 1.963 179.416 177.584 -0.218 0.000 1.191 40 A CA 2.473 54.540 52.037 0.050 0.000 0.638 40 A CB -0.928 18.263 19.000 0.319 0.000 0.823 40 A HN 0.438 nan 8.150 nan 0.000 0.451 41 K N -0.877 119.443 120.400 -0.134 0.000 2.148 41 K HA -0.106 4.215 4.320 0.001 0.000 0.204 41 K C 2.181 178.627 176.600 -0.257 0.000 1.050 41 K CA 1.637 57.828 56.287 -0.160 0.000 0.942 41 K CB -0.358 32.087 32.500 -0.092 0.000 0.724 41 K HN 0.774 nan 8.250 nan 0.000 0.446 42 T N -0.496 113.870 114.554 -0.312 0.000 2.962 42 T HA -0.050 4.301 4.350 0.001 0.000 0.270 42 T C 1.472 175.898 174.700 -0.456 0.000 1.088 42 T CA 0.828 62.731 62.100 -0.329 0.000 1.127 42 T CB 0.051 68.746 68.868 -0.289 0.000 0.883 42 T HN -0.038 nan 8.240 nan 0.000 0.493 43 K N 0.865 120.831 120.400 -0.723 0.000 2.404 43 K HA 0.294 4.615 4.320 0.001 0.000 0.194 43 K C 1.608 177.659 176.600 -0.916 0.000 1.023 43 K CA 0.570 56.279 56.287 -0.962 0.000 1.094 43 K CB -0.036 31.477 32.500 -1.645 0.000 0.841 43 K HN 0.586 nan 8.250 nan 0.000 0.523 44 G N 1.972 110.428 108.800 -0.572 0.000 2.160 44 G HA2 -0.250 3.711 3.960 0.001 0.000 0.251 44 G HA3 -0.250 3.711 3.960 0.001 0.000 0.251 44 G C -0.233 174.554 174.900 -0.187 0.000 1.008 44 G CA -0.193 44.718 45.100 -0.315 0.000 0.724 44 G HN 0.144 nan 8.290 nan 0.000 0.514 45 F N 0.103 120.006 119.950 -0.078 0.000 2.412 45 F HA 0.583 5.110 4.527 0.001 0.000 0.348 45 F C 0.925 176.750 175.800 0.043 0.000 1.102 45 F CA -2.246 55.752 58.000 -0.004 0.000 1.196 45 F CB 0.304 39.291 39.000 -0.022 0.000 1.144 45 F HN 0.143 nan 8.300 nan 0.000 0.541 46 F N 3.063 123.114 119.950 0.168 0.000 2.604 46 F HA 0.321 4.848 4.527 0.001 0.000 0.393 46 F C -0.061 175.797 175.800 0.098 0.000 1.043 46 F CA -0.329 57.728 58.000 0.095 0.000 1.227 46 F CB -0.135 38.897 39.000 0.052 0.000 1.016 46 F HN 0.516 nan 8.300 nan 0.000 0.556 47 A N 6.230 128.676 122.820 -0.622 0.000 2.402 47 A HA 0.635 4.955 4.320 0.001 0.000 0.291 47 A C -1.034 176.232 177.584 -0.531 0.000 1.051 47 A CA -0.609 51.181 52.037 -0.412 0.000 0.716 47 A CB 1.108 20.051 19.000 -0.094 0.000 1.223 47 A HN 0.817 nan 8.150 nan 0.000 0.425 48 E N 0.693 120.686 120.200 -0.344 0.000 2.429 48 E HA 0.598 4.949 4.350 0.001 0.000 0.276 48 E C -1.028 175.694 176.600 0.203 0.000 0.953 48 E CA -0.824 55.535 56.400 -0.068 0.000 0.787 48 E CB 2.488 32.242 29.700 0.089 0.000 1.307 48 E HN 0.683 nan 8.360 nan 0.000 0.458 49 R N 1.111 121.732 120.500 0.202 0.000 2.750 49 R HA 0.273 4.614 4.340 0.001 0.000 0.281 49 R C -0.931 175.404 176.300 0.058 0.000 0.972 49 R CA -0.906 55.321 56.100 0.213 0.000 0.912 49 R CB 1.262 31.627 30.300 0.108 0.000 1.187 49 R HN 0.565 nan 8.270 nan 0.000 0.464 50 D N 0.686 121.032 120.400 -0.089 0.000 2.466 50 D HA 0.049 4.690 4.640 0.001 0.000 0.262 50 D C 0.402 176.601 176.300 -0.168 0.000 1.177 50 D CA -0.541 53.225 54.000 -0.389 0.000 1.035 50 D CB 0.539 40.894 40.800 -0.742 0.000 1.105 50 D HN 0.379 nan 8.370 nan 0.000 0.551 51 E N -0.537 119.556 120.200 -0.179 0.000 2.147 51 E HA -0.146 4.204 4.350 0.001 0.000 0.199 51 E C 1.753 178.326 176.600 -0.045 0.000 1.005 51 E CA 1.094 57.437 56.400 -0.094 0.000 0.810 51 E CB -0.409 29.236 29.700 -0.091 0.000 0.736 51 E HN 0.301 nan 8.360 nan 0.000 0.460 52 V N -1.150 118.741 119.914 -0.038 0.000 2.951 52 V HA 0.088 4.209 4.120 0.001 0.000 0.255 52 V C 1.415 177.525 176.094 0.028 0.000 1.088 52 V CA 1.338 63.641 62.300 0.003 0.000 1.109 52 V CB 0.091 31.922 31.823 0.013 0.000 0.724 52 V HN 0.556 nan 8.190 nan 0.000 0.471 53 G N 0.294 109.113 108.800 0.031 0.000 2.143 53 G HA2 -0.183 3.778 3.960 0.001 0.000 0.175 53 G HA3 -0.183 3.778 3.960 0.001 0.000 0.175 53 G C -0.100 174.859 174.900 0.099 0.000 1.004 53 G CA -0.132 45.005 45.100 0.061 0.000 0.671 53 G HN 0.440 nan 8.290 nan 0.000 0.512 54 N N 0.320 119.101 118.700 0.135 0.000 2.513 54 N HA 0.344 5.085 4.740 0.001 0.000 0.268 54 N C 0.425 176.098 175.510 0.273 0.000 1.180 54 N CA 0.140 53.310 53.050 0.200 0.000 0.948 54 N CB 1.836 40.491 38.487 0.280 0.000 1.083 54 N HN 0.114 nan 8.380 nan 0.000 0.455 55 V N 2.915 122.936 119.914 0.179 0.000 2.432 55 V HA 0.244 4.365 4.120 0.001 0.000 0.275 55 V C 0.148 176.288 176.094 0.077 0.000 1.043 55 V CA -0.651 61.736 62.300 0.144 0.000 0.925 55 V CB 1.106 32.972 31.823 0.072 0.000 0.985 55 V HN 0.405 nan 8.190 nan 0.000 0.466 56 L N 7.318 128.570 121.223 0.047 0.000 2.349 56 L HA 0.680 5.020 4.340 0.001 0.000 0.278 56 L C -0.629 176.237 176.870 -0.007 0.000 0.996 56 L CA 0.163 54.910 54.840 -0.155 0.000 0.825 56 L CB 1.318 42.983 42.059 -0.657 0.000 1.243 56 L HN 0.539 nan 8.230 nan 0.000 0.412 57 I N 4.559 125.120 120.570 -0.015 0.000 2.530 57 I HA 0.577 4.747 4.170 0.001 0.000 0.297 57 I C -0.164 175.972 176.117 0.031 0.000 1.011 57 I CA -0.749 60.588 61.300 0.061 0.000 1.107 57 I CB 1.853 39.861 38.000 0.013 0.000 1.285 57 I HN 0.512 nan 8.210 nan 0.000 0.436 58 R N 3.889 124.478 120.500 0.149 0.000 2.686 58 R HA 0.637 4.978 4.340 0.001 0.000 0.286 58 R C -1.059 175.193 176.300 -0.080 0.000 0.969 58 R CA -1.035 55.053 56.100 -0.021 0.000 0.898 58 R CB 2.801 33.052 30.300 -0.082 0.000 1.183 58 R HN 0.501 nan 8.270 nan 0.000 0.456 59 K N 3.011 123.316 120.400 -0.159 0.000 2.501 59 K HA 0.445 4.765 4.320 0.001 0.000 0.252 59 K C -2.672 173.935 176.600 0.012 0.000 0.934 59 K CA -1.946 54.274 56.287 -0.112 0.000 0.797 59 K CB 2.210 34.486 32.500 -0.374 0.000 1.270 59 K HN 0.250 nan 8.250 nan 0.000 0.431 60 P HA 0.073 nan 4.420 nan 0.000 0.273 60 P C -0.777 176.577 177.300 0.089 0.000 1.250 60 P CA -0.372 62.763 63.100 0.058 0.000 0.793 60 P CB 0.487 32.217 31.700 0.049 0.000 1.011 61 A N 1.212 124.049 122.820 0.028 0.000 2.520 61 A HA 0.314 4.635 4.320 0.001 0.000 0.235 61 A C 0.867 178.372 177.584 -0.132 0.000 1.065 61 A CA 0.288 52.307 52.037 -0.029 0.000 0.764 61 A CB -0.984 17.992 19.000 -0.040 0.000 1.002 61 A HN 0.664 nan 8.150 nan 0.000 0.502 62 T N -0.312 114.050 114.554 -0.319 0.000 2.813 62 T HA 0.404 4.754 4.350 0.001 0.000 0.297 62 T C 0.250 174.855 174.700 -0.158 0.000 1.036 62 T CA -0.706 61.222 62.100 -0.287 0.000 1.044 62 T CB 0.434 69.053 68.868 -0.415 0.000 0.993 62 T HN 0.635 nan 8.240 nan 0.000 0.535 63 V N 2.935 122.781 119.914 -0.113 0.000 2.557 63 V HA 0.460 4.581 4.120 0.001 0.000 0.301 63 V C 1.406 177.452 176.094 -0.080 0.000 1.026 63 V CA 1.363 63.617 62.300 -0.076 0.000 1.137 63 V CB -0.821 30.968 31.823 -0.055 0.000 0.917 63 V HN 1.513 nan 8.190 nan 0.000 0.484 67 N N 1.413 120.096 118.700 -0.028 0.000 2.322 67 N HA 0.151 4.892 4.740 0.001 0.000 0.216 67 N C -0.460 175.037 175.510 -0.021 0.000 1.144 67 N CA 0.188 53.225 53.050 -0.022 0.000 0.830 67 N CB 0.319 38.794 38.487 -0.019 0.000 1.034 67 N HN 0.079 nan 8.380 nan 0.000 0.484 68 R N 0.545 121.030 120.500 -0.026 0.000 2.664 68 R HA 0.343 4.684 4.340 0.001 0.000 0.286 68 R C 0.025 176.312 176.300 -0.023 0.000 0.967 68 R CA -0.724 55.362 56.100 -0.024 0.000 0.933 68 R CB 1.949 32.230 30.300 -0.032 0.000 1.146 68 R HN -0.050 nan 8.270 nan 0.000 0.468 69 K N 3.372 123.761 120.400 -0.019 0.000 2.447 69 K HA 0.086 4.407 4.320 0.001 0.000 0.281 69 K C -2.075 174.506 176.600 -0.032 0.000 1.031 69 K CA -1.180 55.095 56.287 -0.021 0.000 1.019 69 K CB 0.178 32.671 32.500 -0.012 0.000 0.918 69 K HN 0.275 nan 8.250 nan 0.000 0.476 70 P HA 0.036 nan 4.420 nan 0.000 0.271 70 P C -0.593 176.661 177.300 -0.077 0.000 1.218 70 P CA -0.199 62.864 63.100 -0.061 0.000 0.780 70 P CB 0.817 32.472 31.700 -0.074 0.000 0.901 71 V N 3.371 123.228 119.914 -0.095 0.000 2.735 71 V HA 0.376 4.497 4.120 0.001 0.000 0.310 71 V C 0.031 176.034 176.094 -0.152 0.000 1.061 71 V CA -0.886 61.347 62.300 -0.111 0.000 0.913 71 V CB 2.514 34.276 31.823 -0.101 0.000 1.005 71 V HN 0.395 nan 8.190 nan 0.000 0.428 72 V N 6.297 126.115 119.914 -0.161 0.000 2.495 72 V HA 0.607 4.728 4.120 0.001 0.000 0.298 72 V C -0.687 175.310 176.094 -0.162 0.000 1.031 72 V CA -0.431 61.756 62.300 -0.188 0.000 0.871 72 V CB 1.654 33.340 31.823 -0.229 0.000 0.988 72 V HN 0.733 nan 8.190 nan 0.000 0.432 73 L N 6.554 127.677 121.223 -0.166 0.000 2.282 73 L HA 0.625 4.965 4.340 0.001 0.000 0.288 73 L C -0.186 176.603 176.870 -0.134 0.000 1.033 73 L CA -0.268 54.489 54.840 -0.138 0.000 0.807 73 L CB 1.432 43.406 42.059 -0.141 0.000 1.209 73 L HN 0.595 nan 8.230 nan 0.000 0.423 74 Q N 2.987 122.720 119.800 -0.113 0.000 2.340 74 Q HA 0.804 5.145 4.340 0.001 0.000 0.268 74 Q C -1.668 174.275 176.000 -0.095 0.000 1.031 74 Q CA -0.459 55.280 55.803 -0.106 0.000 0.804 74 Q CB 2.551 31.225 28.738 -0.107 0.000 1.286 74 Q HN 0.795 nan 8.270 nan 0.000 0.448 75 A N 2.736 125.498 122.820 -0.098 0.000 2.566 75 A HA 0.661 4.982 4.320 0.001 0.000 0.292 75 A C -1.685 175.856 177.584 -0.072 0.000 1.112 75 A CA -0.727 51.232 52.037 -0.131 0.000 0.707 75 A CB 0.962 19.856 19.000 -0.176 0.000 1.302 75 A HN 0.960 nan 8.150 nan 0.000 0.409 76 H N -0.536 118.506 119.070 -0.047 0.000 2.463 76 H HA 0.664 5.221 4.556 0.002 0.000 0.332 76 H C 0.049 175.365 175.328 -0.020 0.000 1.127 76 H CA -0.874 55.154 56.048 -0.034 0.000 1.238 76 H CB 0.640 30.383 29.762 -0.033 0.000 1.478 76 H HN 0.375 nan 8.280 nan 0.000 0.499 77 L N 0.532 121.843 121.223 0.147 0.000 2.201 77 L HA -0.045 4.296 4.340 0.001 0.000 0.212 77 L C 0.719 177.702 176.870 0.189 0.000 1.105 77 L CA 0.950 55.839 54.840 0.081 0.000 0.775 77 L CB -0.279 41.816 42.059 0.060 0.000 0.913 77 L HN 0.809 nan 8.230 nan 0.000 0.440 81 P HA 0.158 nan 4.420 nan 0.000 0.251 81 P C 0.501 177.812 177.300 0.017 0.000 1.223 81 P CA 0.880 63.980 63.100 0.000 0.000 0.796 81 P CB 0.403 32.103 31.700 -0.000 0.000 1.068 94 D N 0.800 121.199 120.400 -0.001 0.000 2.269 94 D HA 0.744 5.385 4.640 0.001 0.000 0.244 94 D C -2.558 173.735 176.300 -0.011 0.000 0.992 94 D CA -1.101 52.897 54.000 -0.002 0.000 0.894 94 D CB 1.024 41.824 40.800 0.001 0.000 1.248 94 D HN 0.227 nan 8.370 nan 0.000 0.468 95 P HA 0.359 nan 4.420 nan 0.000 0.271 95 P C -0.425 176.862 177.300 -0.021 0.000 1.244 95 P CA -0.443 62.646 63.100 -0.018 0.000 0.793 95 P CB 0.587 32.276 31.700 -0.019 0.000 0.984 96 I N -0.377 120.175 120.570 -0.030 0.000 2.392 96 I HA 0.386 4.557 4.170 0.001 0.000 0.295 96 I C 0.305 176.414 176.117 -0.012 0.000 0.985 96 I CA -0.858 60.427 61.300 -0.026 0.000 1.221 96 I CB 1.143 39.115 38.000 -0.047 0.000 1.366 96 I HN 0.103 nan 8.210 nan 0.000 0.467 97 L N 7.694 128.930 121.223 0.021 0.000 2.371 97 L HA 0.616 4.957 4.340 0.001 0.000 0.262 97 L C -2.525 174.408 176.870 0.104 0.000 1.054 97 L CA -1.669 53.204 54.840 0.055 0.000 0.924 97 L CB -0.035 42.065 42.059 0.068 0.000 1.295 97 L HN 0.338 nan 8.230 nan 0.000 0.441 98 P HA 0.705 nan 4.420 nan 0.000 0.278 98 P C -1.413 175.989 177.300 0.169 0.000 1.266 98 P CA -0.295 62.849 63.100 0.074 0.000 0.807 98 P CB 1.532 33.272 31.700 0.066 0.000 1.094 99 Y N -3.262 117.080 120.300 0.070 0.000 2.677 99 Y HA 0.641 5.192 4.550 0.001 0.000 0.334 99 Y C -0.852 175.070 175.900 0.037 0.000 1.196 99 Y CA -1.650 56.472 58.100 0.037 0.000 1.059 99 Y CB 0.067 38.542 38.460 0.025 0.000 1.315 99 Y HN 0.311 nan 8.280 nan 0.000 0.455 100 I N 1.859 122.547 120.570 0.195 0.000 2.291 100 I HA 0.353 4.524 4.170 0.001 0.000 0.292 100 I C 0.400 176.663 176.117 0.243 0.000 1.064 100 I CA 0.265 61.621 61.300 0.094 0.000 1.269 100 I CB -0.102 37.889 38.000 -0.014 0.000 1.418 100 I HN 0.883 nan 8.210 nan 0.000 0.485 101 D N 4.144 124.682 120.400 0.229 0.000 2.096 101 D HA 0.237 4.878 4.640 0.001 0.000 0.207 101 D C 1.625 178.042 176.300 0.195 0.000 0.976 101 D CA 2.534 56.707 54.000 0.289 0.000 0.875 101 D CB 0.169 41.128 40.800 0.265 0.000 1.009 101 D HN 0.558 nan 8.370 nan 0.000 0.449 102 G N -1.419 107.510 108.800 0.215 0.000 2.477 102 G HA2 0.112 4.073 3.960 0.001 0.000 0.197 102 G HA3 0.112 4.073 3.960 0.001 0.000 0.197 102 G C 0.021 174.990 174.900 0.115 0.000 1.860 102 G CA 0.073 45.277 45.100 0.172 0.000 0.714 102 G HN 0.166 nan 8.290 nan 0.000 0.782 103 D N 0.264 120.765 120.400 0.168 0.000 2.491 103 D HA 0.295 4.936 4.640 0.001 0.000 0.228 103 D C -1.095 174.993 176.300 -0.353 0.000 1.183 103 D CA -0.258 53.661 54.000 -0.135 0.000 0.827 103 D CB 0.262 40.926 40.800 -0.227 0.000 0.989 103 D HN 0.206 nan 8.370 nan 0.000 0.494 104 W N -0.458 120.847 121.300 0.008 0.000 3.033 104 W HA 0.547 5.209 4.660 0.002 0.000 0.336 104 W C -0.709 175.788 176.519 -0.036 0.000 1.173 104 W CA -0.914 56.451 57.345 0.033 0.000 1.185 104 W CB 1.242 30.746 29.460 0.073 0.000 1.425 104 W HN -0.450 nan 8.180 nan 0.000 0.536 105 V N 2.525 122.562 119.914 0.204 0.000 2.555 105 V HA 0.576 4.697 4.120 0.001 0.000 0.302 105 V C -0.262 175.838 176.094 0.011 0.000 1.038 105 V CA -1.220 61.111 62.300 0.052 0.000 0.887 105 V CB 1.578 33.473 31.823 0.120 0.000 0.991 105 V HN 0.491 nan 8.190 nan 0.000 0.434 106 K N 2.226 122.453 120.400 -0.287 0.000 2.480 106 K HA 0.871 5.191 4.320 0.001 0.000 0.258 106 K C -0.796 175.610 176.600 -0.324 0.000 0.990 106 K CA -0.786 55.324 56.287 -0.296 0.000 0.857 106 K CB 2.643 34.916 32.500 -0.379 0.000 1.384 106 K HN 0.724 nan 8.250 nan 0.000 0.446 107 A N 0.720 123.482 122.820 -0.096 0.000 2.303 107 A HA 0.540 4.861 4.320 0.001 0.000 0.317 107 A C -0.170 177.480 177.584 0.110 0.000 1.149 107 A CA -0.573 51.472 52.037 0.012 0.000 0.822 107 A CB 0.486 19.512 19.000 0.043 0.000 1.131 107 A HN 0.690 nan 8.150 nan 0.000 0.493 108 K N 1.064 121.582 120.400 0.196 0.000 2.054 108 K HA 0.464 4.785 4.320 0.001 0.000 0.242 108 K C 1.062 177.739 176.600 0.128 0.000 1.157 108 K CA 0.406 56.833 56.287 0.234 0.000 1.079 108 K CB -1.194 31.412 32.500 0.177 0.000 1.331 108 K HN 2.591 nan 8.250 nan 0.000 0.317 109 G N 0.467 109.339 108.800 0.120 0.000 2.225 109 G HA2 -0.128 3.833 3.960 0.001 0.000 0.264 109 G HA3 -0.128 3.833 3.960 0.001 0.000 0.264 109 G C 0.273 175.206 174.900 0.055 0.000 1.060 109 G CA 0.761 45.906 45.100 0.075 0.000 0.833 109 G HN 1.518 nan 8.290 nan 0.000 0.498 110 T N -1.438 113.149 114.554 0.055 0.000 2.693 110 T HA 0.670 5.020 4.350 0.001 0.000 0.304 110 T C 0.473 175.200 174.700 0.045 0.000 1.471 110 T CA 0.822 62.947 62.100 0.043 0.000 0.993 110 T CB 0.737 69.624 68.868 0.032 0.000 1.554 110 T HN 1.285 nan 8.240 nan 0.000 0.496 111 T N 1.732 116.313 114.554 0.044 0.000 2.930 111 T HA 0.349 4.700 4.350 0.001 0.000 0.306 111 T C 1.177 175.912 174.700 0.058 0.000 1.045 111 T CA -0.439 61.696 62.100 0.058 0.000 1.134 111 T CB 0.792 69.701 68.868 0.068 0.000 0.961 111 T HN 0.441 nan 8.240 nan 0.000 0.545 112 L N 2.648 123.925 121.223 0.090 0.000 2.168 112 L HA 0.399 4.740 4.340 0.001 0.000 0.203 112 L C 2.080 179.052 176.870 0.170 0.000 1.078 112 L CA 2.190 57.108 54.840 0.130 0.000 0.780 112 L CB -1.044 41.124 42.059 0.183 0.000 0.939 112 L HN 1.233 nan 8.230 nan 0.000 0.451 113 G N -1.957 106.957 108.800 0.190 0.000 2.157 113 G HA2 -0.275 3.686 3.960 0.001 0.000 0.239 113 G HA3 -0.275 3.686 3.960 0.001 0.000 0.239 113 G C 1.212 176.327 174.900 0.358 0.000 0.982 113 G CA 0.623 45.873 45.100 0.251 0.000 0.650 113 G HN 0.792 nan 8.290 nan 0.000 0.527 114 A N 0.089 123.106 122.820 0.329 0.000 1.948 114 A HA 0.130 4.451 4.320 0.001 0.000 0.220 114 A C 1.354 178.947 177.584 0.015 0.000 1.177 114 A CA 2.137 54.252 52.037 0.131 0.000 0.636 114 A CB -0.229 18.783 19.000 0.020 0.000 0.815 114 A HN 0.896 nan 8.150 nan 0.000 0.449 115 D N -0.242 120.189 120.400 0.052 0.000 2.365 115 D HA 0.122 4.763 4.640 0.001 0.000 0.237 115 D C -0.134 176.224 176.300 0.096 0.000 1.190 115 D CA -0.221 53.793 54.000 0.024 0.000 0.867 115 D CB -0.346 40.483 40.800 0.048 0.000 1.050 115 D HN 0.373 nan 8.370 nan 0.000 0.491 116 N N 2.536 121.175 118.700 -0.102 0.000 2.480 116 N HA 0.161 4.902 4.740 0.001 0.000 0.281 116 N C 1.187 176.581 175.510 -0.193 0.000 1.381 116 N CA -0.343 52.504 53.050 -0.338 0.000 0.903 116 N CB 0.278 38.166 38.487 -0.998 0.000 1.274 116 N HN 0.479 nan 8.380 nan 0.000 0.505 117 G N 0.707 109.517 108.800 0.018 0.000 2.448 117 G HA2 -0.103 3.858 3.960 0.001 0.000 0.218 117 G HA3 -0.103 3.858 3.960 0.001 0.000 0.218 117 G C 1.392 176.334 174.900 0.069 0.000 1.135 117 G CA 0.332 45.524 45.100 0.153 0.000 0.784 117 G HN 0.288 nan 8.290 nan 0.000 0.543 118 I N 1.817 122.260 120.570 -0.213 0.000 2.286 118 I HA 0.034 4.205 4.170 0.001 0.000 0.245 118 I C 2.251 178.198 176.117 -0.283 0.000 1.104 118 I CA 0.518 61.543 61.300 -0.459 0.000 1.397 118 I CB -1.518 36.082 38.000 -0.666 0.000 1.072 118 I HN 0.107 nan 8.210 nan 0.000 0.417 122 S N 1.140 116.794 115.700 -0.076 0.000 2.383 122 S HA 0.158 4.629 4.470 0.001 0.000 0.227 122 S C 1.983 176.632 174.600 0.083 0.000 1.026 122 S CA 1.694 59.955 58.200 0.101 0.000 0.981 122 S CB -0.505 62.880 63.200 0.307 0.000 0.818 122 S HN 1.552 nan 8.310 nan 0.000 0.472 123 A N 1.975 124.757 122.820 -0.063 0.000 1.930 123 A HA 0.207 4.528 4.320 0.001 0.000 0.217 123 A C 2.301 179.772 177.584 -0.189 0.000 1.175 123 A CA 1.268 53.229 52.037 -0.126 0.000 0.627 123 A CB -0.789 18.113 19.000 -0.163 0.000 0.815 123 A HN 0.536 nan 8.150 nan 0.000 0.443 124 L N -0.795 120.205 121.223 -0.372 0.000 2.093 124 L HA -0.130 4.211 4.340 0.001 0.000 0.208 124 L C 3.066 179.809 176.870 -0.211 0.000 1.085 124 L CA 0.904 55.392 54.840 -0.587 0.000 0.755 124 L CB -0.559 40.497 42.059 -1.671 0.000 0.904 124 L HN 0.407 nan 8.230 nan 0.000 0.435 125 A N -0.052 122.729 122.820 -0.064 0.000 1.908 125 A HA -0.167 4.154 4.320 0.001 0.000 0.218 125 A C 2.363 180.140 177.584 0.321 0.000 1.181 125 A CA 1.943 54.111 52.037 0.218 0.000 0.627 125 A CB -0.899 18.139 19.000 0.064 0.000 0.818 125 A HN 0.182 nan 8.150 nan 0.000 0.445 126 V N 0.098 120.178 119.914 0.278 0.000 2.287 126 V HA -0.283 3.838 4.120 0.001 0.000 0.248 126 V C 2.576 178.737 176.094 0.111 0.000 1.053 126 V CA 2.028 64.433 62.300 0.176 0.000 1.027 126 V CB -0.802 30.997 31.823 -0.039 0.000 0.646 126 V HN 0.575 nan 8.190 nan 0.000 0.447 127 L N -0.241 121.014 121.223 0.053 0.000 2.042 127 L HA -0.233 4.108 4.340 0.001 0.000 0.210 127 L C 2.623 179.727 176.870 0.391 0.000 1.076 127 L CA 2.137 56.994 54.840 0.028 0.000 0.749 127 L CB -0.542 41.506 42.059 -0.018 0.000 0.893 127 L HN 0.427 nan 8.230 nan 0.000 0.432 128 E N 0.248 120.806 120.200 0.596 0.000 2.204 128 E HA -0.119 4.232 4.350 0.001 0.000 0.194 128 E C 1.099 177.965 176.600 0.444 0.000 0.989 128 E CA 0.543 57.361 56.400 0.698 0.000 0.824 128 E CB 0.174 30.343 29.700 0.782 0.000 0.756 128 E HN 0.498 nan 8.360 nan 0.000 0.477 129 S N 0.974 116.893 115.700 0.364 0.000 2.576 129 S HA -0.016 4.455 4.470 0.001 0.000 0.272 129 S C 0.483 175.227 174.600 0.240 0.000 1.352 129 S CA -0.037 58.334 58.200 0.286 0.000 1.021 129 S CB 0.807 64.179 63.200 0.287 0.000 0.887 129 S HN 0.386 nan 8.310 nan 0.000 0.542 130 N N -0.616 118.188 118.700 0.174 0.000 2.194 130 N HA 0.124 4.864 4.740 0.001 0.000 0.231 130 N C -0.767 174.788 175.510 0.075 0.000 1.247 130 N CA -0.104 53.018 53.050 0.120 0.000 0.884 130 N CB 0.149 38.696 38.487 0.099 0.000 1.146 130 N HN 0.743 nan 8.380 nan 0.000 0.516 131 D N -0.456 119.995 120.400 0.085 0.000 2.740 131 D HA 0.253 4.893 4.640 0.001 0.000 0.305 131 D C -0.657 175.669 176.300 0.043 0.000 1.583 131 D CA -0.231 53.800 54.000 0.051 0.000 0.790 131 D CB -0.565 40.272 40.800 0.061 0.000 1.187 131 D HN 0.191 nan 8.370 nan 0.000 0.447 132 I N 1.234 121.832 120.570 0.047 0.000 2.418 132 I HA 0.574 4.745 4.170 0.001 0.000 0.287 132 I C 0.088 176.175 176.117 -0.050 0.000 1.008 132 I CA -1.010 60.297 61.300 0.011 0.000 1.104 132 I CB 1.985 40.020 38.000 0.058 0.000 1.264 132 I HN 0.107 nan 8.210 nan 0.000 0.438 133 A N 5.715 128.468 122.820 -0.111 0.000 2.488 133 A HA 0.529 4.849 4.320 0.001 0.000 0.249 133 A C -0.588 176.924 177.584 -0.119 0.000 1.083 133 A CA 0.395 52.327 52.037 -0.175 0.000 0.768 133 A CB -0.345 18.550 19.000 -0.176 0.000 1.017 133 A HN 0.895 nan 8.150 nan 0.000 0.496 134 H N 0.312 119.316 119.070 -0.110 0.000 3.068 134 H HA 0.690 5.247 4.556 0.001 0.000 0.342 134 H C -3.380 171.890 175.328 -0.096 0.000 1.284 134 H CA -1.852 54.126 56.048 -0.116 0.000 1.181 134 H CB 0.752 30.442 29.762 -0.121 0.000 1.898 134 H HN 0.383 nan 8.280 nan 0.000 0.540 135 P HA 0.071 nan 4.420 nan 0.000 0.293 135 P C -0.290 177.087 177.300 0.129 0.000 1.298 135 P CA -0.543 62.586 63.100 0.049 0.000 0.757 135 P CB 0.656 32.355 31.700 -0.001 0.000 1.262 136 E N -0.380 119.840 120.200 0.034 0.000 2.694 136 E HA 0.016 4.367 4.350 0.001 0.000 0.250 136 E C -0.985 175.590 176.600 -0.042 0.000 0.963 136 E CA -0.017 56.384 56.400 0.002 0.000 0.949 136 E CB -0.182 29.495 29.700 -0.037 0.000 0.911 136 E HN 0.157 nan 8.360 nan 0.000 0.500 137 L N 4.532 125.704 121.223 -0.085 0.000 2.346 137 L HA 0.442 4.783 4.340 0.001 0.000 0.274 137 L C -0.960 175.780 176.870 -0.217 0.000 1.007 137 L CA -0.300 54.421 54.840 -0.198 0.000 0.818 137 L CB 1.972 43.796 42.059 -0.392 0.000 1.284 137 L HN 0.597 nan 8.230 nan 0.000 0.424 138 E N 2.508 122.572 120.200 -0.227 0.000 2.256 138 E HA 0.649 5.000 4.350 0.001 0.000 0.267 138 E C -1.599 174.864 176.600 -0.229 0.000 0.892 138 E CA -0.865 55.396 56.400 -0.232 0.000 0.775 138 E CB 2.644 32.189 29.700 -0.258 0.000 1.207 138 E HN 0.365 nan 8.360 nan 0.000 0.420 139 V N 3.312 123.100 119.914 -0.209 0.000 2.443 139 V HA 0.268 4.389 4.120 0.001 0.000 0.293 139 V C -1.090 174.902 176.094 -0.169 0.000 1.021 139 V CA -0.728 61.460 62.300 -0.188 0.000 0.848 139 V CB 1.414 33.127 31.823 -0.183 0.000 0.998 139 V HN 0.440 nan 8.190 nan 0.000 0.424 140 L N 7.426 128.551 121.223 -0.164 0.000 2.280 140 L HA 0.647 4.988 4.340 0.001 0.000 0.287 140 L C -0.841 175.980 176.870 -0.082 0.000 1.023 140 L CA 0.118 54.876 54.840 -0.136 0.000 0.819 140 L CB 1.088 43.055 42.059 -0.154 0.000 1.212 140 L HN 0.541 nan 8.230 nan 0.000 0.420 141 L N 5.444 126.642 121.223 -0.041 0.000 2.298 141 L HA 0.563 4.904 4.340 0.001 0.000 0.284 141 L C 0.508 177.399 176.870 0.035 0.000 1.013 141 L CA -0.557 54.270 54.840 -0.022 0.000 0.824 141 L CB 1.572 43.605 42.059 -0.043 0.000 1.221 141 L HN 0.712 nan 8.230 nan 0.000 0.418 145 E N 1.682 121.710 120.200 -0.287 0.000 2.106 145 E HA -0.128 4.223 4.350 0.001 0.000 0.192 145 E C 1.372 177.748 176.600 -0.373 0.000 0.984 145 E CA 1.215 57.383 56.400 -0.387 0.000 0.806 145 E CB 0.307 29.587 29.700 -0.701 0.000 0.750 145 E HN 0.497 nan 8.360 nan 0.000 0.458 146 E N 0.096 120.082 120.200 -0.358 0.000 2.435 146 E HA -0.012 4.339 4.350 0.001 0.000 0.195 146 E C 0.400 176.879 176.600 -0.202 0.000 1.029 146 E CA 0.272 56.518 56.400 -0.257 0.000 0.865 146 E CB 0.322 29.899 29.700 -0.204 0.000 0.833 146 E HN 0.049 nan 8.360 nan 0.000 0.510 147 R N 0.658 121.026 120.500 -0.221 0.000 2.868 147 R HA 0.393 4.733 4.340 0.001 0.000 0.289 147 R C 0.256 176.507 176.300 -0.082 0.000 1.443 147 R CA 0.124 56.148 56.100 -0.127 0.000 1.651 147 R CB 0.860 31.079 30.300 -0.136 0.000 1.242 147 R HN 0.133 nan 8.270 nan 0.000 0.621 151 G N 2.084 110.878 108.800 -0.010 0.000 2.545 151 G HA2 -0.273 3.688 3.960 0.001 0.000 0.217 151 G HA3 -0.273 3.688 3.960 0.001 0.000 0.217 151 G C 1.622 176.542 174.900 0.034 0.000 1.218 151 G CA 1.838 46.951 45.100 0.021 0.000 0.787 151 G HN 0.317 nan 8.290 nan 0.000 0.571 152 A N -0.024 122.801 122.820 0.008 0.000 1.908 152 A HA 0.000 4.321 4.320 0.001 0.000 0.218 152 A C 2.653 180.255 177.584 0.031 0.000 1.181 152 A CA 1.966 54.013 52.037 0.018 0.000 0.627 152 A CB -0.661 18.321 19.000 -0.029 0.000 0.818 152 A HN 0.324 nan 8.150 nan 0.000 0.445 153 I N -0.514 120.065 120.570 0.015 0.000 2.127 153 I HA -0.148 4.023 4.170 0.001 0.000 0.241 153 I C 2.472 178.607 176.117 0.030 0.000 1.075 153 I CA 1.331 62.646 61.300 0.025 0.000 1.334 153 I CB -1.596 36.419 38.000 0.024 0.000 1.040 153 I HN 0.571 nan 8.210 nan 0.000 0.405 154 G N 0.028 108.846 108.800 0.029 0.000 3.327 154 G HA2 0.231 4.192 3.960 0.001 0.000 0.240 154 G HA3 0.231 4.192 3.960 0.001 0.000 0.240 154 G C 0.337 175.257 174.900 0.033 0.000 1.222 154 G CA -0.285 44.829 45.100 0.022 0.000 0.871 154 G HN 0.377 nan 8.290 nan 0.000 0.525 155 L N 0.932 122.201 121.223 0.077 0.000 2.455 155 L HA 0.280 4.621 4.340 0.001 0.000 0.272 155 L C 0.983 177.928 176.870 0.124 0.000 1.174 155 L CA -0.708 54.224 54.840 0.153 0.000 0.869 155 L CB 0.395 42.600 42.059 0.243 0.000 1.130 155 L HN 0.157 nan 8.230 nan 0.000 0.474 156 R N 6.944 127.494 120.500 0.085 0.000 2.484 156 R HA 0.201 4.542 4.340 0.001 0.000 0.293 156 R C -2.270 174.146 176.300 0.193 0.000 1.023 156 R CA -1.139 54.952 56.100 -0.014 0.000 1.037 156 R CB 0.285 30.331 30.300 -0.424 0.000 0.951 156 R HN 0.537 nan 8.270 nan 0.000 0.418 157 P HA 0.103 nan 4.420 nan 0.000 0.278 157 P C -1.097 176.245 177.300 0.069 0.000 1.258 157 P CA -0.343 62.694 63.100 -0.105 0.000 0.811 157 P CB 0.345 31.929 31.700 -0.194 0.000 1.063 158 N N -1.677 117.052 118.700 0.047 0.000 2.716 158 N HA -0.231 4.510 4.740 0.001 0.000 0.250 158 N C -0.274 175.450 175.510 0.356 0.000 1.033 158 N CA 0.476 53.650 53.050 0.206 0.000 0.727 158 N CB -1.109 37.436 38.487 0.095 0.000 0.950 158 N HN 0.584 nan 8.380 nan 0.000 0.541 159 W N 0.356 121.816 121.300 0.267 0.000 3.412 159 W HA 0.383 5.044 4.660 0.002 0.000 0.236 159 W C 0.033 176.615 176.519 0.105 0.000 1.030 159 W CA 0.153 57.605 57.345 0.178 0.000 1.850 159 W CB -0.027 29.552 29.460 0.198 0.000 0.979 159 W HN -0.021 nan 8.180 nan 0.000 0.716 160 L N 3.267 124.538 121.223 0.080 0.000 2.410 160 L HA 0.130 4.470 4.340 0.001 0.000 0.273 160 L C 1.564 178.345 176.870 -0.148 0.000 1.152 160 L CA -0.007 54.658 54.840 -0.291 0.000 0.855 160 L CB 0.802 42.489 42.059 -0.619 0.000 1.129 160 L HN 0.039 nan 8.230 nan 0.000 0.463 161 R N 0.348 120.737 120.500 -0.184 0.000 2.300 161 R HA 0.150 4.491 4.340 0.001 0.000 0.199 161 R C 0.486 176.717 176.300 -0.116 0.000 0.920 161 R CA -0.130 55.901 56.100 -0.115 0.000 1.046 161 R CB -0.261 29.964 30.300 -0.125 0.000 0.984 161 R HN 0.414 nan 8.270 nan 0.000 0.493 162 S N 1.464 117.062 115.700 -0.169 0.000 2.576 162 S HA 0.064 4.535 4.470 0.001 0.000 0.276 162 S C 0.387 174.924 174.600 -0.106 0.000 1.339 162 S CA -0.435 57.678 58.200 -0.145 0.000 1.039 162 S CB 1.193 64.283 63.200 -0.184 0.000 0.902 162 S HN 0.363 nan 8.310 nan 0.000 0.516 163 E N 0.645 120.805 120.200 -0.067 0.000 2.476 163 E HA 0.256 4.607 4.350 0.001 0.000 0.199 163 E C -0.391 176.195 176.600 -0.023 0.000 1.021 163 E CA 0.345 56.728 56.400 -0.029 0.000 0.907 163 E CB 0.328 30.021 29.700 -0.011 0.000 0.974 163 E HN 0.485 nan 8.360 nan 0.000 0.489 164 I N 1.445 121.986 120.570 -0.048 0.000 2.619 164 I HA 0.314 4.485 4.170 0.001 0.000 0.292 164 I C -1.211 174.864 176.117 -0.071 0.000 1.100 164 I CA -0.875 60.402 61.300 -0.037 0.000 1.043 164 I CB 2.445 40.427 38.000 -0.029 0.000 1.239 164 I HN -0.076 nan 8.210 nan 0.000 0.420 165 L N 7.144 128.332 121.223 -0.058 0.000 2.356 165 L HA 0.633 4.974 4.340 0.001 0.000 0.277 165 L C -1.224 175.614 176.870 -0.054 0.000 0.996 165 L CA -0.348 54.440 54.840 -0.087 0.000 0.822 165 L CB 1.473 43.462 42.059 -0.116 0.000 1.256 165 L HN 0.487 nan 8.230 nan 0.000 0.413 166 I N 5.340 125.872 120.570 -0.064 0.000 2.371 166 I HA 0.258 4.428 4.170 0.001 0.000 0.282 166 I C -0.190 175.902 176.117 -0.042 0.000 1.031 166 I CA -0.458 60.824 61.300 -0.032 0.000 1.180 166 I CB 1.093 39.071 38.000 -0.037 0.000 1.336 166 I HN 0.630 nan 8.210 nan 0.000 0.467 167 N N 4.506 123.182 118.700 -0.040 0.000 2.520 167 N HA 0.065 4.806 4.740 0.001 0.000 0.273 167 N C 0.603 176.109 175.510 -0.007 0.000 1.155 167 N CA 0.157 53.173 53.050 -0.056 0.000 0.967 167 N CB 1.442 39.862 38.487 -0.112 0.000 1.092 167 N HN 0.653 nan 8.380 nan 0.000 0.457 168 T N -0.731 113.803 114.554 -0.032 0.000 3.176 168 T HA 0.108 4.459 4.350 0.001 0.000 0.263 168 T C 0.424 175.053 174.700 -0.117 0.000 1.021 168 T CA -0.378 61.697 62.100 -0.041 0.000 0.905 168 T CB 0.073 68.924 68.868 -0.028 0.000 1.057 168 T HN 0.364 nan 8.240 nan 0.000 0.558 169 D N 1.417 121.782 120.400 -0.058 0.000 2.340 169 D HA 0.164 4.805 4.640 0.001 0.000 0.217 169 D C 0.269 176.575 176.300 0.009 0.000 1.081 169 D CA 0.092 54.066 54.000 -0.043 0.000 0.842 169 D CB 0.168 40.986 40.800 0.030 0.000 0.934 169 D HN 0.301 nan 8.370 nan 0.000 0.511 170 T N 0.213 114.770 114.554 0.005 0.000 2.899 170 T HA 0.202 4.553 4.350 0.001 0.000 0.295 170 T C 0.634 175.280 174.700 -0.089 0.000 1.033 170 T CA -0.045 62.060 62.100 0.008 0.000 1.084 170 T CB 1.092 69.889 68.868 -0.117 0.000 0.979 170 T HN 0.038 nan 8.240 nan 0.000 0.532 171 E N 1.135 121.306 120.200 -0.049 0.000 3.105 171 E HA 0.163 4.514 4.350 0.001 0.000 0.198 171 E C -0.652 175.927 176.600 -0.035 0.000 0.976 171 E CA -0.250 56.117 56.400 -0.055 0.000 1.219 171 E CB 0.707 30.392 29.700 -0.025 0.000 1.081 171 E HN 0.369 nan 8.360 nan 0.000 0.464 172 E N 1.313 121.464 120.200 -0.082 0.000 2.287 172 E HA 0.170 4.521 4.350 0.001 0.000 0.274 172 E C -1.015 175.546 176.600 -0.064 0.000 0.896 172 E CA -0.723 55.645 56.400 -0.054 0.000 0.788 172 E CB 1.658 31.337 29.700 -0.036 0.000 1.244 172 E HN 0.043 nan 8.360 nan 0.000 0.408 173 N N 0.413 119.113 118.700 -0.001 0.000 2.395 173 N HA 0.095 4.836 4.740 0.001 0.000 0.246 173 N C 1.051 176.534 175.510 -0.045 0.000 1.246 173 N CA 1.960 55.047 53.050 0.061 0.000 0.879 173 N CB 0.446 38.988 38.487 0.092 0.000 1.098 173 N HN 0.704 nan 8.380 nan 0.000 0.444 174 G N 1.281 109.994 108.800 -0.146 0.000 2.168 174 G HA2 -0.265 3.696 3.960 0.001 0.000 0.257 174 G HA3 -0.265 3.696 3.960 0.001 0.000 0.257 174 G C -0.359 174.209 174.900 -0.554 0.000 0.997 174 G CA 0.527 45.292 45.100 -0.560 0.000 0.708 174 G HN 0.666 nan 8.290 nan 0.000 0.520 175 E N -0.760 119.179 120.200 -0.435 0.000 2.234 175 E HA 0.634 4.985 4.350 0.001 0.000 0.266 175 E C -0.241 176.153 176.600 -0.344 0.000 0.877 175 E CA -0.818 55.372 56.400 -0.349 0.000 0.758 175 E CB 1.729 31.242 29.700 -0.311 0.000 1.170 175 E HN 0.285 nan 8.360 nan 0.000 0.415 176 I N 3.502 123.944 120.570 -0.214 0.000 2.362 176 I HA 0.279 4.450 4.170 0.001 0.000 0.289 176 I C -1.059 175.091 176.117 0.054 0.000 0.994 176 I CA -0.880 60.381 61.300 -0.065 0.000 1.158 176 I CB 0.593 38.604 38.000 0.019 0.000 1.315 176 I HN 0.376 nan 8.210 nan 0.000 0.451 177 Y N 6.177 126.526 120.300 0.082 0.000 2.330 177 Y HA 0.389 4.940 4.550 0.002 0.000 0.336 177 Y C 0.916 176.810 175.900 -0.010 0.000 1.036 177 Y CA -1.396 56.737 58.100 0.055 0.000 1.125 177 Y CB 1.290 39.840 38.460 0.151 0.000 1.194 177 Y HN 0.488 nan 8.280 nan 0.000 0.469 178 I N -0.490 119.978 120.570 -0.171 0.000 4.147 178 I HA 0.733 4.904 4.170 0.001 0.000 0.329 178 I C 0.441 175.600 176.117 -1.596 0.000 1.424 178 I CA -0.068 60.817 61.300 -0.692 0.000 1.127 178 I CB 0.672 38.471 38.000 -0.334 0.000 1.128 178 I HN 0.548 nan 8.210 nan 0.000 0.417 179 G N 0.836 108.887 108.800 -1.248 0.000 2.547 179 G HA2 0.564 4.525 3.960 0.001 0.000 0.291 179 G HA3 0.564 4.525 3.960 0.001 0.000 0.291 179 G C -1.417 173.408 174.900 -0.124 0.000 1.471 179 G CA -0.120 44.478 45.100 -0.836 0.000 0.798 179 G HN 0.521 nan 8.290 nan 0.000 0.504 180 C N -1.197 118.168 119.300 0.108 0.000 3.275 180 C HA 0.940 5.400 4.460 0.001 0.000 0.340 180 C C 0.284 175.351 174.990 0.129 0.000 1.366 180 C CA -0.200 58.912 59.018 0.155 0.000 1.227 180 C CB 1.052 28.975 27.740 0.304 0.000 1.512 180 C HN 2.308 nan 8.230 nan 0.000 0.461 181 A N 0.963 123.818 122.820 0.059 0.000 2.371 181 A HA 0.729 5.050 4.320 0.001 0.000 0.257 181 A C 0.686 178.306 177.584 0.061 0.000 1.089 181 A CA 0.620 52.641 52.037 -0.027 0.000 0.794 181 A CB -0.144 18.682 19.000 -0.290 0.000 1.029 181 A HN 2.264 nan 8.150 nan 0.000 0.488 182 G N -0.295 108.484 108.800 -0.036 0.000 2.547 182 G HA2 0.603 4.564 3.960 0.001 0.000 0.291 182 G HA3 0.603 4.564 3.960 0.001 0.000 0.291 182 G C 0.110 174.660 174.900 -0.583 0.000 1.211 182 G CA -0.071 44.900 45.100 -0.215 0.000 0.950 182 G HN 1.412 nan 8.290 nan 0.000 0.504 183 G N -1.500 106.548 108.800 -1.254 0.000 2.692 183 G HA2 0.601 4.562 3.960 0.001 0.000 0.291 183 G HA3 0.601 4.562 3.960 0.001 0.000 0.291 183 G C -1.715 172.815 174.900 -0.616 0.000 1.423 183 G CA -0.433 44.105 45.100 -0.936 0.000 0.843 183 G HN 0.658 nan 8.290 nan 0.000 0.486 184 E N -0.056 119.981 120.200 -0.272 0.000 2.347 184 E HA 0.226 4.576 4.350 0.001 0.000 0.285 184 E C -1.107 175.461 176.600 -0.054 0.000 0.925 184 E CA -0.822 55.505 56.400 -0.123 0.000 0.779 184 E CB 1.323 30.964 29.700 -0.098 0.000 1.233 184 E HN 0.378 nan 8.360 nan 0.000 0.414 185 N N 1.612 120.306 118.700 -0.010 0.000 2.497 185 N HA 0.366 5.107 4.740 0.001 0.000 0.268 185 N C -1.018 174.486 175.510 -0.011 0.000 1.171 185 N CA 0.133 53.184 53.050 0.001 0.000 0.948 185 N CB 1.537 40.035 38.487 0.019 0.000 1.069 185 N HN 0.460 nan 8.380 nan 0.000 0.460 186 A N 2.008 124.820 122.820 -0.013 0.000 2.335 186 A HA 0.409 4.729 4.320 0.001 0.000 0.304 186 A C -1.008 176.568 177.584 -0.014 0.000 1.118 186 A CA -0.848 51.178 52.037 -0.017 0.000 0.757 186 A CB 0.878 19.864 19.000 -0.023 0.000 1.188 186 A HN 0.498 nan 8.150 nan 0.000 0.460 187 D N 2.240 122.628 120.400 -0.019 0.000 2.308 187 D HA 0.406 5.046 4.640 0.001 0.000 0.242 187 D C -1.101 175.183 176.300 -0.026 0.000 1.059 187 D CA -0.112 53.876 54.000 -0.021 0.000 0.830 187 D CB 2.370 43.152 40.800 -0.031 0.000 1.161 187 D HN 0.419 nan 8.370 nan 0.000 0.494 188 L N 2.157 123.371 121.223 -0.015 0.000 2.287 188 L HA 0.297 4.638 4.340 0.001 0.000 0.287 188 L C -0.326 176.541 176.870 -0.006 0.000 1.022 188 L CA -0.268 54.565 54.840 -0.010 0.000 0.814 188 L CB 1.052 43.114 42.059 0.005 0.000 1.217 188 L HN 0.183 nan 8.230 nan 0.000 0.420 189 E N 6.280 126.465 120.200 -0.025 0.000 2.156 189 E HA 0.443 4.794 4.350 0.001 0.000 0.279 189 E C -1.212 175.462 176.600 0.123 0.000 0.965 189 E CA -0.507 55.893 56.400 0.001 0.000 0.789 189 E CB 1.801 31.359 29.700 -0.236 0.000 1.098 189 E HN 0.548 nan 8.360 nan 0.000 0.397 190 L N 4.894 126.231 121.223 0.190 0.000 2.333 190 L HA 0.401 4.741 4.340 0.001 0.000 0.280 190 L C -2.374 174.589 176.870 0.154 0.000 1.004 190 L CA -2.444 52.488 54.840 0.153 0.000 0.820 190 L CB 1.548 43.646 42.059 0.065 0.000 1.247 190 L HN 0.224 nan 8.230 nan 0.000 0.416 191 P HA 0.098 nan 4.420 nan 0.000 0.266 191 P C -0.741 176.315 177.300 -0.407 0.000 1.195 191 P CA 0.311 63.211 63.100 -0.333 0.000 0.768 191 P CB 0.563 32.112 31.700 -0.252 0.000 0.838 192 I N 2.602 122.809 120.570 -0.605 0.000 2.412 192 I HA 0.308 4.479 4.170 0.001 0.000 0.296 192 I C 0.342 176.060 176.117 -0.665 0.000 0.987 192 I CA -0.578 60.232 61.300 -0.817 0.000 1.180 192 I CB 1.597 38.915 38.000 -1.138 0.000 1.340 192 I HN 0.227 nan 8.210 nan 0.000 0.455 193 E N 4.876 124.723 120.200 -0.588 0.000 2.199 193 E HA 0.528 4.879 4.350 0.001 0.000 0.269 193 E C -1.510 174.870 176.600 -0.367 0.000 0.899 193 E CA -0.507 55.693 56.400 -0.333 0.000 0.772 193 E CB 1.777 31.373 29.700 -0.173 0.000 1.155 193 E HN 0.246 nan 8.360 nan 0.000 0.408 194 Y N 0.566 120.819 120.300 -0.079 0.000 2.568 194 Y HA 0.483 5.034 4.550 0.001 0.000 0.327 194 Y C 0.212 176.125 175.900 0.022 0.000 1.163 194 Y CA -0.879 57.222 58.100 0.003 0.000 1.219 194 Y CB 1.472 39.940 38.460 0.013 0.000 1.308 194 Y HN 0.386 nan 8.280 nan 0.000 0.503 195 Q N -1.061 118.885 119.800 0.245 0.000 2.456 195 Q HA 0.699 5.039 4.340 0.001 0.000 0.284 195 Q C -1.921 174.165 176.000 0.142 0.000 1.061 195 Q CA -1.229 54.663 55.803 0.149 0.000 0.799 195 Q CB 1.955 30.770 28.738 0.128 0.000 1.445 195 Q HN 0.407 nan 8.270 nan 0.000 0.411 196 V N 2.551 122.515 119.914 0.083 0.000 2.585 196 V HA 0.029 4.150 4.120 0.001 0.000 0.296 196 V C 0.189 176.332 176.094 0.082 0.000 1.035 196 V CA -0.258 62.079 62.300 0.062 0.000 1.084 196 V CB 0.575 32.411 31.823 0.022 0.000 0.953 196 V HN 0.794 nan 8.190 nan 0.000 0.483 197 N N 4.733 123.493 118.700 0.099 0.000 2.405 197 N HA 0.097 4.838 4.740 0.001 0.000 0.260 197 N C 0.168 175.720 175.510 0.071 0.000 1.152 197 N CA 0.195 53.331 53.050 0.143 0.000 0.948 197 N CB 0.140 38.710 38.487 0.139 0.000 1.111 197 N HN 0.597 nan 8.380 nan 0.000 0.485 198 N N 3.248 121.955 118.700 0.012 0.000 2.351 198 N HA 0.109 4.850 4.740 0.001 0.000 0.254 198 N C -0.922 174.488 175.510 -0.165 0.000 1.241 198 N CA -0.168 52.830 53.050 -0.087 0.000 0.883 198 N CB 0.137 38.547 38.487 -0.129 0.000 1.202 198 N HN 0.368 nan 8.380 nan 0.000 0.512 199 F N 1.306 121.217 119.950 -0.065 0.000 2.382 199 F HA 0.153 4.681 4.527 0.001 0.000 0.331 199 F C 1.968 177.656 175.800 -0.187 0.000 1.121 199 F CA -0.300 57.641 58.000 -0.098 0.000 1.183 199 F CB 1.231 40.188 39.000 -0.071 0.000 1.207 199 F HN -0.040 nan 8.300 nan 0.000 0.555 200 E N -0.061 120.077 120.200 -0.104 0.000 2.150 200 E HA -0.098 4.253 4.350 0.001 0.000 0.193 200 E C -0.168 176.026 176.600 -0.676 0.000 0.985 200 E CA 1.055 57.187 56.400 -0.447 0.000 0.814 200 E CB 0.034 29.336 29.700 -0.664 0.000 0.752 200 E HN 0.403 nan 8.360 nan 0.000 0.466 201 H N -1.874 117.032 119.070 -0.273 0.000 2.894 201 H HA 0.431 4.988 4.556 0.001 0.000 0.368 201 H C -1.199 173.905 175.328 -0.372 0.000 1.181 201 H CA -1.066 54.742 56.048 -0.399 0.000 1.146 201 H CB 1.632 30.937 29.762 -0.761 0.000 1.839 201 H HN -0.027 nan 8.280 nan 0.000 0.557 202 C N 3.086 122.363 119.300 -0.038 0.000 2.522 202 C HA 0.557 5.018 4.460 0.001 0.000 0.344 202 C C -1.491 173.511 174.990 0.020 0.000 1.104 202 C CA -0.412 58.620 59.018 0.024 0.000 1.317 202 C CB -1.384 26.337 27.740 -0.031 0.000 1.896 202 C HN 0.633 nan 8.230 nan 0.000 0.443 203 Y N 2.872 123.309 120.300 0.229 0.000 2.536 203 Y HA 0.564 5.114 4.550 0.001 0.000 0.347 203 Y C 0.234 176.228 175.900 0.156 0.000 1.000 203 Y CA -0.533 57.693 58.100 0.211 0.000 1.051 203 Y CB 1.457 40.091 38.460 0.290 0.000 1.259 203 Y HN 0.534 nan 8.280 nan 0.000 0.468 204 Q N 1.406 121.345 119.800 0.233 0.000 2.256 204 Q HA 0.526 4.867 4.340 0.001 0.000 0.257 204 Q C -1.160 174.937 176.000 0.162 0.000 0.936 204 Q CA -0.960 54.937 55.803 0.157 0.000 0.903 204 Q CB 2.282 31.076 28.738 0.092 0.000 1.263 204 Q HN 0.381 nan 8.270 nan 0.000 0.440 205 V N 3.601 123.598 119.914 0.138 0.000 2.368 205 V HA 0.175 4.296 4.120 0.001 0.000 0.266 205 V C -0.222 175.951 176.094 0.132 0.000 1.045 205 V CA -0.450 61.926 62.300 0.127 0.000 0.899 205 V CB 1.070 32.971 31.823 0.129 0.000 1.006 205 V HN 0.491 nan 8.190 nan 0.000 0.470 206 V N 6.857 126.840 119.914 0.115 0.000 2.370 206 V HA 0.423 4.544 4.120 0.001 0.000 0.283 206 V C -0.269 175.806 176.094 -0.030 0.000 1.023 206 V CA -0.587 61.742 62.300 0.048 0.000 0.857 206 V CB 1.584 33.426 31.823 0.032 0.000 0.985 206 V HN 0.643 nan 8.190 nan 0.000 0.443 207 L N 6.883 128.018 121.223 -0.148 0.000 2.287 207 L HA 0.652 4.993 4.340 0.001 0.000 0.287 207 L C -0.223 176.503 176.870 -0.239 0.000 1.022 207 L CA 0.356 54.942 54.840 -0.423 0.000 0.814 207 L CB 0.848 42.545 42.059 -0.602 0.000 1.217 207 L HN 0.627 nan 8.230 nan 0.000 0.420 208 K N 2.688 122.956 120.400 -0.220 0.000 2.372 208 K HA 0.785 5.106 4.320 0.001 0.000 0.251 208 K C 0.279 176.802 176.600 -0.128 0.000 1.055 208 K CA -0.620 55.589 56.287 -0.130 0.000 0.879 208 K CB 1.788 34.240 32.500 -0.079 0.000 1.384 208 K HN 0.633 nan 8.250 nan 0.000 0.465 209 G N 0.230 108.980 108.800 -0.082 0.000 2.157 209 G HA2 -0.218 3.742 3.960 0.001 0.000 0.248 209 G HA3 -0.218 3.742 3.960 0.001 0.000 0.248 209 G C -0.282 174.580 174.900 -0.064 0.000 0.979 209 G CA -0.060 45.000 45.100 -0.067 0.000 0.650 209 G HN 0.197 nan 8.290 nan 0.000 0.529 210 L N -0.134 121.048 121.223 -0.069 0.000 2.472 210 L HA 0.491 4.832 4.340 0.001 0.000 0.260 210 L C 2.184 179.033 176.870 -0.035 0.000 1.209 210 L CA 0.029 54.836 54.840 -0.054 0.000 0.817 210 L CB 0.247 42.273 42.059 -0.054 0.000 1.106 210 L HN 0.127 nan 8.230 nan 0.000 0.479 211 R N 0.955 121.438 120.500 -0.028 0.000 2.066 211 R HA 0.064 4.405 4.340 0.001 0.000 0.232 211 R C 0.855 177.150 176.300 -0.008 0.000 1.131 211 R CA 0.789 56.877 56.100 -0.019 0.000 0.955 211 R CB -0.344 29.945 30.300 -0.020 0.000 0.851 211 R HN 0.966 nan 8.270 nan 0.000 0.432 212 G N -0.677 108.120 108.800 -0.005 0.000 2.642 212 G HA2 0.018 3.979 3.960 0.001 0.000 0.231 212 G HA3 0.018 3.979 3.960 0.001 0.000 0.231 212 G C -0.015 174.897 174.900 0.021 0.000 1.338 212 G CA -0.378 44.727 45.100 0.010 0.000 0.883 212 G HN 0.784 nan 8.290 nan 0.000 0.570 213 G N -2.527 106.300 108.800 0.046 0.000 2.369 213 G HA2 0.514 4.475 3.960 0.001 0.000 0.295 213 G HA3 0.514 4.475 3.960 0.001 0.000 0.295 213 G C -0.753 174.223 174.900 0.126 0.000 1.298 213 G CA 0.475 45.621 45.100 0.077 0.000 0.940 213 G HN 1.911 nan 8.290 nan 0.000 0.536 214 H N 0.512 119.624 119.070 0.069 0.000 2.580 214 H HA 0.473 5.030 4.556 0.002 0.000 0.322 214 H C 1.702 177.093 175.328 0.105 0.000 1.082 214 H CA 0.544 56.655 56.048 0.105 0.000 1.383 214 H CB 1.660 31.483 29.762 0.102 0.000 1.450 214 H HN 0.708 nan 8.280 nan 0.000 0.505 215 S N 2.432 117.921 115.700 -0.353 0.000 2.555 215 S HA -0.010 4.461 4.470 0.001 0.000 0.230 215 S C 1.535 176.069 174.600 -0.109 0.000 0.978 215 S CA 0.548 58.645 58.200 -0.171 0.000 0.934 215 S CB 0.080 63.205 63.200 -0.125 0.000 0.766 215 S HN 0.693 nan 8.310 nan 0.000 0.533 216 G N 1.336 109.997 108.800 -0.231 0.000 2.724 216 G HA2 0.100 4.061 3.960 0.001 0.000 0.217 216 G HA3 0.100 4.061 3.960 0.001 0.000 0.217 216 G C 1.211 176.355 174.900 0.407 0.000 1.251 216 G CA 0.494 45.710 45.100 0.193 0.000 0.867 216 G HN 0.378 nan 8.290 nan 0.000 0.590 217 V N 1.898 122.163 119.914 0.585 0.000 2.568 217 V HA -0.092 4.028 4.120 0.001 0.000 0.253 217 V C 1.651 177.965 176.094 0.367 0.000 1.072 217 V CA 2.003 64.540 62.300 0.394 0.000 1.084 217 V CB -0.300 31.680 31.823 0.262 0.000 0.676 217 V HN 0.297 nan 8.190 nan 0.000 0.469 218 D N -1.221 119.343 120.400 0.275 0.000 2.369 218 D HA 0.140 4.781 4.640 0.001 0.000 0.211 218 D C 1.603 177.894 176.300 -0.014 0.000 1.077 218 D CA -0.001 54.055 54.000 0.094 0.000 0.842 218 D CB 0.677 41.519 40.800 0.070 0.000 0.947 218 D HN 0.371 nan 8.370 nan 0.000 0.509 219 I N 1.737 122.360 120.570 0.088 0.000 2.676 219 I HA -0.186 3.985 4.170 0.001 0.000 0.259 219 I C 2.217 178.330 176.117 -0.006 0.000 1.194 219 I CA 1.088 62.408 61.300 0.033 0.000 1.473 219 I CB -0.231 37.813 38.000 0.074 0.000 1.096 219 I HN 0.132 nan 8.210 nan 0.000 0.443 220 H N -0.920 118.138 119.070 -0.020 0.000 2.524 220 H HA 0.034 4.591 4.556 0.001 0.000 0.282 220 H C 1.015 176.335 175.328 -0.012 0.000 1.016 220 H CA 0.893 56.920 56.048 -0.035 0.000 1.270 220 H CB -1.567 28.170 29.762 -0.042 0.000 1.394 220 H HN 0.347 nan 8.280 nan 0.000 0.568 221 T N -1.806 112.393 114.554 -0.591 0.000 2.726 221 T HA 0.299 4.650 4.350 0.001 0.000 0.294 221 T C 1.465 176.071 174.700 -0.156 0.000 1.013 221 T CA -0.110 61.759 62.100 -0.386 0.000 0.996 221 T CB 1.084 69.743 68.868 -0.348 0.000 1.016 221 T HN 0.299 nan 8.240 nan 0.000 0.529 222 G N 0.062 108.801 108.800 -0.102 0.000 3.496 222 G HA2 0.210 4.171 3.960 0.001 0.000 0.273 222 G HA3 0.210 4.171 3.960 0.001 0.000 0.273 222 G C 0.428 175.300 174.900 -0.047 0.000 1.279 222 G CA -0.660 44.407 45.100 -0.055 0.000 1.041 222 G HN 0.626 nan 8.290 nan 0.000 0.539 223 R N 0.076 120.541 120.500 -0.059 0.000 2.543 223 R HA 0.492 4.833 4.340 0.001 0.000 0.277 223 R C 0.505 176.792 176.300 -0.022 0.000 1.074 223 R CA -0.076 56.000 56.100 -0.039 0.000 1.076 223 R CB 0.947 31.223 30.300 -0.041 0.000 0.993 223 R HN 0.240 nan 8.270 nan 0.000 0.459 224 A N 2.168 124.980 122.820 -0.013 0.000 2.252 224 A HA 0.256 4.577 4.320 0.001 0.000 0.305 224 A C -0.391 177.196 177.584 0.005 0.000 1.097 224 A CA -0.622 51.416 52.037 0.003 0.000 0.849 224 A CB 0.727 19.731 19.000 0.008 0.000 1.142 224 A HN 0.721 nan 8.150 nan 0.000 0.499 225 N N 0.136 118.848 118.700 0.019 0.000 2.443 225 N HA 0.388 5.129 4.740 0.001 0.000 0.269 225 N C 0.687 176.212 175.510 0.025 0.000 0.985 225 N CA 0.229 53.291 53.050 0.019 0.000 0.921 225 N CB 1.846 40.348 38.487 0.025 0.000 1.195 225 N HN 0.586 nan 8.380 nan 0.000 0.492 226 A N 4.719 127.543 122.820 0.006 0.000 1.940 226 A HA -0.129 4.192 4.320 0.001 0.000 0.219 226 A C 1.999 179.598 177.584 0.024 0.000 1.176 226 A CA 1.158 53.190 52.037 -0.009 0.000 0.631 226 A CB -0.405 18.576 19.000 -0.032 0.000 0.814 226 A HN 0.792 nan 8.150 nan 0.000 0.446 227 I N -0.638 119.952 120.570 0.033 0.000 2.163 227 I HA -0.230 3.941 4.170 0.001 0.000 0.240 227 I C 2.339 178.497 176.117 0.069 0.000 1.081 227 I CA 1.289 62.619 61.300 0.049 0.000 1.353 227 I CB -0.218 37.808 38.000 0.042 0.000 1.054 227 I HN 0.125 nan 8.210 nan 0.000 0.407 228 K N 0.513 120.953 120.400 0.067 0.000 2.147 228 K HA -0.082 4.239 4.320 0.001 0.000 0.205 228 K C 2.120 178.796 176.600 0.127 0.000 1.049 228 K CA 1.073 57.410 56.287 0.082 0.000 0.936 228 K CB -0.530 32.011 32.500 0.069 0.000 0.722 228 K HN 0.233 nan 8.250 nan 0.000 0.446 229 V N 1.518 121.525 119.914 0.154 0.000 2.307 229 V HA -0.208 3.913 4.120 0.001 0.000 0.245 229 V C 2.379 178.677 176.094 0.340 0.000 1.045 229 V CA 1.166 63.631 62.300 0.274 0.000 1.024 229 V CB -0.462 31.511 31.823 0.250 0.000 0.651 229 V HN 0.133 nan 8.190 nan 0.000 0.449 230 L N -0.459 120.920 121.223 0.260 0.000 2.012 230 L HA -0.161 4.180 4.340 0.001 0.000 0.210 230 L C 2.261 179.223 176.870 0.154 0.000 1.073 230 L CA 1.932 56.934 54.840 0.270 0.000 0.748 230 L CB -0.579 41.595 42.059 0.192 0.000 0.891 230 L HN 0.139 nan 8.230 nan 0.000 0.431 231 L N -0.298 120.986 121.223 0.102 0.000 2.083 231 L HA -0.220 4.121 4.340 0.001 0.000 0.209 231 L C 2.738 179.608 176.870 -0.000 0.000 1.083 231 L CA 1.764 56.628 54.840 0.041 0.000 0.752 231 L CB -1.208 40.879 42.059 0.047 0.000 0.899 231 L HN 0.478 nan 8.230 nan 0.000 0.433 232 R N -0.672 119.859 120.500 0.052 0.000 2.081 232 R HA -0.236 4.105 4.340 0.001 0.000 0.235 232 R C 2.438 178.628 176.300 -0.185 0.000 1.131 232 R CA 1.605 57.731 56.100 0.043 0.000 0.960 232 R CB -0.403 30.035 30.300 0.230 0.000 0.856 232 R HN 0.208 nan 8.270 nan 0.000 0.436 233 F N 1.461 121.036 119.950 -0.626 0.000 2.075 233 F HA -0.163 4.364 4.527 0.001 0.000 0.297 233 F C 1.813 177.285 175.800 -0.546 0.000 1.113 233 F CA 1.509 58.820 58.000 -1.148 0.000 1.218 233 F CB -0.580 37.633 39.000 -1.312 0.000 0.984 233 F HN -0.026 nan 8.300 nan 0.000 0.472 234 L N 0.217 121.037 121.223 -0.672 0.000 2.042 234 L HA -0.220 4.120 4.340 0.001 0.000 0.210 234 L C 2.844 179.458 176.870 -0.426 0.000 1.076 234 L CA 1.288 55.752 54.840 -0.626 0.000 0.749 234 L CB -1.335 40.590 42.059 -0.222 0.000 0.893 234 L HN 0.319 nan 8.230 nan 0.000 0.432 235 A N -0.230 122.426 122.820 -0.274 0.000 1.877 235 A HA -0.243 4.078 4.320 0.001 0.000 0.216 235 A C 2.351 179.882 177.584 -0.089 0.000 1.186 235 A CA 1.845 53.805 52.037 -0.129 0.000 0.620 235 A CB -0.538 18.465 19.000 0.005 0.000 0.822 235 A HN 0.474 nan 8.150 nan 0.000 0.443 236 E N 0.089 120.180 120.200 -0.182 0.000 2.072 236 E HA -0.197 4.154 4.350 0.001 0.000 0.191 236 E C 1.959 178.439 176.600 -0.200 0.000 0.985 236 E CA 1.560 57.880 56.400 -0.133 0.000 0.801 236 E CB -0.406 29.236 29.700 -0.097 0.000 0.750 236 E HN 0.414 nan 8.360 nan 0.000 0.452 237 L N 1.477 122.441 121.223 -0.431 0.000 2.043 237 L HA -0.199 4.142 4.340 0.001 0.000 0.212 237 L C 2.557 179.340 176.870 -0.145 0.000 1.075 237 L CA 1.968 56.546 54.840 -0.436 0.000 0.752 237 L CB -0.549 40.983 42.059 -0.879 0.000 0.891 237 L HN 0.154 nan 8.230 nan 0.000 0.432 238 Q N -0.881 118.896 119.800 -0.039 0.000 2.163 238 Q HA -0.149 4.192 4.340 0.001 0.000 0.198 238 Q C 2.175 178.237 176.000 0.103 0.000 0.954 238 Q CA 1.396 57.291 55.803 0.154 0.000 0.851 238 Q CB 0.084 28.925 28.738 0.172 0.000 0.928 238 Q HN 0.689 nan 8.270 nan 0.000 0.459 239 Q N -0.126 119.718 119.800 0.073 0.000 2.119 239 Q HA -0.076 4.265 4.340 0.001 0.000 0.201 239 Q C 1.302 177.305 176.000 0.004 0.000 0.972 239 Q CA 1.640 57.471 55.803 0.047 0.000 0.847 239 Q CB 0.093 28.856 28.738 0.042 0.000 0.903 239 Q HN 0.449 nan 8.270 nan 0.000 0.433 240 N N -0.783 117.907 118.700 -0.016 0.000 2.356 240 N HA 0.004 4.744 4.740 0.001 0.000 0.178 240 N C -0.184 175.306 175.510 -0.034 0.000 1.075 240 N CA 0.120 53.153 53.050 -0.029 0.000 0.889 240 N CB 0.691 39.157 38.487 -0.033 0.000 0.999 240 N HN 0.018 nan 8.380 nan 0.000 0.464 241 Q N 0.748 120.537 119.800 -0.017 0.000 2.773 241 Q HA 0.195 4.536 4.340 0.001 0.000 0.373 241 Q C -2.023 174.014 176.000 0.062 0.000 0.940 241 Q CA -1.394 54.419 55.803 0.016 0.000 1.015 241 Q CB 1.163 29.906 28.738 0.008 0.000 1.349 241 Q HN 0.309 nan 8.270 nan 0.000 0.413 242 P HA -0.162 nan 4.420 nan 0.000 0.219 242 P C 0.445 177.713 177.300 -0.054 0.000 1.146 242 P CA 1.343 64.383 63.100 -0.099 0.000 0.808 242 P CB 0.202 31.756 31.700 -0.244 0.000 0.779 243 H N -2.648 116.502 119.070 0.134 0.000 2.539 243 H HA 0.138 4.695 4.556 0.001 0.000 0.267 243 H C 0.291 175.746 175.328 0.210 0.000 0.982 243 H CA -0.537 55.593 56.048 0.137 0.000 1.146 243 H CB -0.398 29.428 29.762 0.107 0.000 1.382 243 H HN 0.050 nan 8.280 nan 0.000 0.577 244 F N 2.743 122.794 119.950 0.168 0.000 2.464 244 F HA 0.106 4.634 4.527 0.001 0.000 0.353 244 F C -0.029 175.944 175.800 0.288 0.000 1.191 244 F CA -1.527 56.575 58.000 0.169 0.000 1.147 244 F CB 0.021 39.051 39.000 0.051 0.000 1.294 244 F HN -0.035 nan 8.300 nan 0.000 0.583 245 D N 7.402 127.737 120.400 -0.108 0.000 2.359 245 D HA 0.170 4.811 4.640 0.001 0.000 0.250 245 D C -0.782 175.467 176.300 -0.085 0.000 1.264 245 D CA 0.367 54.372 54.000 0.009 0.000 0.911 245 D CB -0.313 40.584 40.800 0.160 0.000 1.056 245 D HN 0.306 nan 8.370 nan 0.000 0.499 246 F N 0.689 120.428 119.950 -0.351 0.000 2.664 246 F HA 0.747 5.275 4.527 0.001 0.000 0.317 246 F C -0.988 174.572 175.800 -0.400 0.000 1.108 246 F CA -0.940 56.759 58.000 -0.503 0.000 0.957 246 F CB 1.666 40.374 39.000 -0.487 0.000 1.365 246 F HN 0.014 nan 8.300 nan 0.000 0.475 247 T N 1.693 115.859 114.554 -0.646 0.000 2.894 247 T HA 0.562 4.913 4.350 0.001 0.000 0.309 247 T C -1.193 173.371 174.700 -0.227 0.000 1.208 247 T CA -0.699 61.080 62.100 -0.536 0.000 1.016 247 T CB 1.271 69.940 68.868 -0.330 0.000 1.192 247 T HN 0.813 nan 8.240 nan 0.000 0.491 248 L N 2.756 123.833 121.223 -0.243 0.000 2.461 248 L HA 0.467 4.808 4.340 0.001 0.000 0.272 248 L C 1.396 177.893 176.870 -0.621 0.000 1.197 248 L CA -0.104 54.495 54.840 -0.401 0.000 0.836 248 L CB 0.781 42.453 42.059 -0.645 0.000 1.105 248 L HN 0.910 nan 8.230 nan 0.000 0.477 249 A N 2.592 125.124 122.820 -0.480 0.000 1.993 249 A HA 0.172 4.493 4.320 0.001 0.000 0.207 249 A C 0.423 177.781 177.584 -0.376 0.000 1.224 249 A CA 0.564 52.411 52.037 -0.316 0.000 0.749 249 A CB 0.051 18.998 19.000 -0.087 0.000 0.884 249 A HN 0.858 nan 8.150 nan 0.000 0.467 250 N N -1.414 117.046 118.700 -0.400 0.000 3.348 250 N HA 0.355 5.096 4.740 0.001 0.000 0.233 250 N C -1.702 173.745 175.510 -0.105 0.000 1.440 250 N CA -0.299 52.641 53.050 -0.184 0.000 0.887 250 N CB 0.926 39.453 38.487 0.068 0.000 1.410 250 N HN 0.319 nan 8.380 nan 0.000 0.502 251 I N 0.136 120.729 120.570 0.038 0.000 2.685 251 I HA 0.487 4.658 4.170 0.001 0.000 0.289 251 I C -1.526 174.642 176.117 0.084 0.000 1.292 251 I CA -0.437 60.893 61.300 0.050 0.000 1.050 251 I CB 1.300 39.329 38.000 0.047 0.000 1.301 251 I HN 0.865 nan 8.210 nan 0.000 0.425 252 R N 5.346 125.886 120.500 0.066 0.000 2.817 252 R HA 0.985 5.326 4.340 0.001 0.000 0.268 252 R C -1.153 175.176 176.300 0.049 0.000 1.027 252 R CA -1.028 55.109 56.100 0.062 0.000 0.928 252 R CB 2.098 32.433 30.300 0.058 0.000 1.228 252 R HN 0.676 nan 8.270 nan 0.000 0.469 253 G N -0.741 108.085 108.800 0.043 0.000 2.547 253 G HA2 0.555 4.516 3.960 0.001 0.000 0.291 253 G HA3 0.555 4.516 3.960 0.001 0.000 0.291 253 G C -0.284 174.632 174.900 0.027 0.000 1.471 253 G CA -0.151 44.967 45.100 0.031 0.000 0.798 253 G HN 1.128 nan 8.290 nan 0.000 0.504 254 G N -0.586 108.225 108.800 0.019 0.000 2.804 254 G HA2 0.260 4.221 3.960 0.001 0.000 0.230 254 G HA3 0.260 4.221 3.960 0.001 0.000 0.230 254 G C 0.944 175.856 174.900 0.020 0.000 1.386 254 G CA 0.814 45.925 45.100 0.018 0.000 0.875 254 G HN 2.206 nan 8.290 nan 0.000 0.557 255 S N -2.333 113.379 115.700 0.020 0.000 3.186 255 S HA 0.645 5.116 4.470 0.001 0.000 0.253 255 S C 0.651 175.262 174.600 0.019 0.000 1.071 255 S CA 1.072 59.284 58.200 0.021 0.000 0.796 255 S CB 0.494 63.707 63.200 0.022 0.000 0.818 255 S HN 2.120 nan 8.310 nan 0.000 0.498 256 I N 1.731 122.311 120.570 0.017 0.000 2.686 256 I HA 0.575 4.746 4.170 0.001 0.000 0.295 256 I C 1.102 177.222 176.117 0.006 0.000 1.114 256 I CA -1.149 60.157 61.300 0.010 0.000 1.038 256 I CB 1.825 39.828 38.000 0.005 0.000 1.238 256 I HN 0.508 nan 8.210 nan 0.000 0.420 257 R N 3.008 123.508 120.500 0.001 0.000 2.103 257 R HA -0.175 4.166 4.340 0.001 0.000 0.242 257 R C 1.261 177.555 176.300 -0.010 0.000 1.142 257 R CA 2.644 58.744 56.100 -0.000 0.000 0.960 257 R CB -0.077 30.225 30.300 0.003 0.000 0.858 257 R HN 0.883 nan 8.270 nan 0.000 0.439 258 N N -0.568 118.121 118.700 -0.019 0.000 2.235 258 N HA 0.086 4.827 4.740 0.001 0.000 0.209 258 N C -0.837 174.648 175.510 -0.042 0.000 1.122 258 N CA 0.175 53.196 53.050 -0.049 0.000 0.845 258 N CB 0.733 39.192 38.487 -0.046 0.000 1.004 258 N HN 0.142 nan 8.380 nan 0.000 0.499 259 A N 0.797 123.621 122.820 0.006 0.000 2.305 259 A HA 0.584 4.904 4.320 0.001 0.000 0.322 259 A C 0.126 177.719 177.584 0.015 0.000 1.187 259 A CA -0.777 51.282 52.037 0.035 0.000 0.825 259 A CB 0.547 19.582 19.000 0.059 0.000 1.164 259 A HN 0.277 nan 8.150 nan 0.000 0.498 260 I N 3.425 124.006 120.570 0.018 0.000 2.598 260 I HA 0.127 4.298 4.170 0.001 0.000 0.284 260 I C -2.010 174.115 176.117 0.013 0.000 1.140 260 I CA -1.343 59.964 61.300 0.011 0.000 1.420 260 I CB 0.838 38.844 38.000 0.010 0.000 1.387 260 I HN 0.407 nan 8.210 nan 0.000 0.553 261 P HA 0.179 nan 4.420 nan 0.000 0.271 261 P C -0.190 177.108 177.300 -0.003 0.000 1.216 261 P CA -0.118 62.986 63.100 0.007 0.000 0.771 261 P CB 0.667 32.373 31.700 0.010 0.000 0.864 262 R N 0.812 121.307 120.500 -0.008 0.000 2.344 262 R HA 0.193 4.533 4.340 0.001 0.000 0.209 262 R C 0.262 176.538 176.300 -0.041 0.000 0.886 262 R CA 0.326 56.413 56.100 -0.023 0.000 1.040 262 R CB 0.564 30.855 30.300 -0.015 0.000 1.114 262 R HN 0.579 nan 8.270 nan 0.000 0.547 263 E N 0.051 120.233 120.200 -0.031 0.000 2.367 263 E HA 0.411 4.762 4.350 0.001 0.000 0.273 263 E C -1.209 175.377 176.600 -0.024 0.000 0.903 263 E CA -0.779 55.596 56.400 -0.040 0.000 0.764 263 E CB 2.406 32.090 29.700 -0.027 0.000 1.252 263 E HN 0.018 nan 8.360 nan 0.000 0.446 264 S N -0.369 115.314 115.700 -0.028 0.000 2.547 264 S HA 0.705 5.175 4.470 0.001 0.000 0.270 264 S C -1.170 173.438 174.600 0.014 0.000 1.150 264 S CA -0.822 57.380 58.200 0.004 0.000 0.850 264 S CB 1.537 64.748 63.200 0.017 0.000 1.118 264 S HN 0.239 nan 8.310 nan 0.000 0.461 265 V N 0.342 120.278 119.914 0.036 0.000 2.733 265 V HA 0.883 5.004 4.120 0.001 0.000 0.306 265 V C -0.152 175.977 176.094 0.058 0.000 1.084 265 V CA -0.594 61.736 62.300 0.049 0.000 0.905 265 V CB 1.433 33.280 31.823 0.041 0.000 1.010 265 V HN 1.397 nan 8.190 nan 0.000 0.424 266 A N 2.377 125.241 122.820 0.074 0.000 2.318 266 A HA 0.804 5.124 4.320 0.001 0.000 0.324 266 A C 0.087 177.705 177.584 0.056 0.000 1.170 266 A CA -0.489 51.580 52.037 0.055 0.000 0.810 266 A CB 0.965 20.008 19.000 0.072 0.000 1.198 266 A HN 0.777 nan 8.150 nan 0.000 0.484 267 T N 3.191 117.756 114.554 0.018 0.000 2.743 267 T HA 0.506 4.857 4.350 0.001 0.000 0.293 267 T C -0.466 174.249 174.700 0.024 0.000 0.945 267 T CA 0.042 62.161 62.100 0.032 0.000 1.030 267 T CB 0.189 69.062 68.868 0.009 0.000 0.912 267 T HN 0.341 nan 8.240 nan 0.000 0.483 268 L N 4.044 125.340 121.223 0.122 0.000 2.346 268 L HA 0.664 5.005 4.340 0.001 0.000 0.276 268 L C -0.055 176.940 176.870 0.207 0.000 1.006 268 L CA -0.856 54.093 54.840 0.181 0.000 0.817 268 L CB 1.912 44.126 42.059 0.259 0.000 1.272 268 L HN 0.550 nan 8.230 nan 0.000 0.421 269 V N 0.547 120.485 119.914 0.040 0.000 2.667 269 V HA 0.904 5.024 4.120 0.001 0.000 0.308 269 V C -0.719 175.235 176.094 -0.234 0.000 1.048 269 V CA -0.671 61.569 62.300 -0.099 0.000 0.928 269 V CB 1.523 33.243 31.823 -0.171 0.000 1.004 269 V HN 0.672 nan 8.190 nan 0.000 0.444 270 F N 0.810 120.692 119.950 -0.114 0.000 2.741 270 F HA 0.743 5.271 4.527 0.001 0.000 0.311 270 F C -1.097 174.896 175.800 0.322 0.000 1.149 270 F CA -1.079 56.894 58.000 -0.045 0.000 0.930 270 F CB 1.235 40.144 39.000 -0.152 0.000 1.312 270 F HN 0.478 nan 8.300 nan 0.000 0.450 271 N N 0.265 119.277 118.700 0.519 0.000 2.459 271 N HA 0.729 5.470 4.740 0.001 0.000 0.288 271 N C 0.149 175.965 175.510 0.512 0.000 1.186 271 N CA 0.501 53.787 53.050 0.394 0.000 0.917 271 N CB 1.576 40.212 38.487 0.248 0.000 1.219 271 N HN 1.335 nan 8.380 nan 0.000 0.525 272 G N 0.490 109.547 108.800 0.428 0.000 2.725 272 G HA2 -0.214 3.747 3.960 0.001 0.000 0.220 272 G HA3 -0.214 3.747 3.960 0.001 0.000 0.220 272 G C -1.225 173.949 174.900 0.456 0.000 1.357 272 G CA -0.691 44.642 45.100 0.388 0.000 0.866 272 G HN 0.554 nan 8.290 nan 0.000 0.548 273 D N -0.111 120.458 120.400 0.283 0.000 2.458 273 D HA 0.292 4.932 4.640 0.001 0.000 0.243 273 D C 1.777 178.149 176.300 0.120 0.000 1.146 273 D CA -0.154 53.940 54.000 0.157 0.000 0.877 273 D CB 0.900 41.751 40.800 0.085 0.000 1.176 273 D HN 0.382 nan 8.370 nan 0.000 0.461 274 I N 1.489 122.049 120.570 -0.016 0.000 2.454 274 I HA -0.250 3.920 4.170 0.001 0.000 0.254 274 I C 2.474 178.453 176.117 -0.230 0.000 1.156 274 I CA 1.161 62.381 61.300 -0.134 0.000 1.433 274 I CB -0.590 37.234 38.000 -0.294 0.000 1.082 274 I HN 0.473 nan 8.210 nan 0.000 0.432 275 T N -2.311 112.157 114.554 -0.144 0.000 2.915 275 T HA -0.079 4.272 4.350 0.001 0.000 0.269 275 T C 1.881 176.468 174.700 -0.189 0.000 1.071 275 T CA 1.001 63.013 62.100 -0.148 0.000 1.132 275 T CB -0.863 67.955 68.868 -0.084 0.000 0.878 275 T HN 0.175 nan 8.240 nan 0.000 0.479 276 V N 1.358 121.157 119.914 -0.192 0.000 2.343 276 V HA -0.077 4.043 4.120 0.001 0.000 0.247 276 V C 2.505 178.290 176.094 -0.516 0.000 1.051 276 V CA 1.586 63.721 62.300 -0.275 0.000 1.036 276 V CB -0.814 30.905 31.823 -0.174 0.000 0.654 276 V HN 0.405 nan 8.190 nan 0.000 0.451 277 L N -0.411 120.409 121.223 -0.671 0.000 2.179 277 L HA -0.082 4.259 4.340 0.001 0.000 0.208 277 L C 2.395 179.001 176.870 -0.441 0.000 1.096 277 L CA 1.800 56.192 54.840 -0.745 0.000 0.779 277 L CB -0.688 40.858 42.059 -0.856 0.000 0.922 277 L HN 0.325 nan 8.230 nan 0.000 0.443 278 Q N -1.181 118.403 119.800 -0.359 0.000 2.061 278 Q HA -0.242 4.099 4.340 0.001 0.000 0.204 278 Q C 2.411 178.277 176.000 -0.223 0.000 0.984 278 Q CA 2.220 57.869 55.803 -0.258 0.000 0.846 278 Q CB -0.211 28.404 28.738 -0.204 0.000 0.902 278 Q HN 0.606 nan 8.270 nan 0.000 0.421 279 S N -0.554 115.020 115.700 -0.210 0.000 2.359 279 S HA -0.195 4.276 4.470 0.001 0.000 0.224 279 S C 1.934 176.435 174.600 -0.164 0.000 1.035 279 S CA 1.321 59.423 58.200 -0.164 0.000 1.018 279 S CB -0.412 62.702 63.200 -0.143 0.000 0.876 279 S HN 0.528 nan 8.310 nan 0.000 0.448 280 A N 0.742 123.440 122.820 -0.205 0.000 1.902 280 A HA -0.009 4.312 4.320 0.001 0.000 0.217 280 A C 2.357 179.906 177.584 -0.059 0.000 1.181 280 A CA 1.844 53.815 52.037 -0.110 0.000 0.623 280 A CB -1.047 17.843 19.000 -0.182 0.000 0.818 280 A HN 0.471 nan 8.150 nan 0.000 0.443 281 V N -0.286 119.456 119.914 -0.286 0.000 2.261 281 V HA -0.291 3.829 4.120 0.001 0.000 0.246 281 V C 2.734 178.598 176.094 -0.384 0.000 1.047 281 V CA 2.368 64.284 62.300 -0.640 0.000 1.015 281 V CB -0.839 30.612 31.823 -0.619 0.000 0.642 281 V HN 0.691 nan 8.190 nan 0.000 0.446 282 Q N 0.591 120.250 119.800 -0.234 0.000 2.077 282 Q HA -0.229 4.112 4.340 0.001 0.000 0.206 282 Q C 2.158 178.089 176.000 -0.114 0.000 0.989 282 Q CA 1.959 57.673 55.803 -0.149 0.000 0.853 282 Q CB -0.318 28.352 28.738 -0.113 0.000 0.907 282 Q HN 0.585 nan 8.270 nan 0.000 0.418 283 K N -1.062 119.286 120.400 -0.087 0.000 2.097 283 K HA -0.130 4.191 4.320 0.001 0.000 0.205 283 K C 1.966 178.548 176.600 -0.030 0.000 1.050 283 K CA 1.214 57.473 56.287 -0.047 0.000 0.938 283 K CB -0.272 32.215 32.500 -0.022 0.000 0.718 283 K HN 0.231 nan 8.250 nan 0.000 0.442 284 F N 1.645 121.488 119.950 -0.179 0.000 2.187 284 F HA -0.037 4.491 4.527 0.001 0.000 0.295 284 F C 2.222 177.905 175.800 -0.194 0.000 1.091 284 F CA 0.968 58.863 58.000 -0.174 0.000 1.308 284 F CB -0.228 38.649 39.000 -0.205 0.000 1.030 284 F HN -0.062 nan 8.300 nan 0.000 0.487 285 A N 0.134 122.818 122.820 -0.226 0.000 1.940 285 A HA -0.215 4.106 4.320 0.001 0.000 0.219 285 A C 1.862 179.379 177.584 -0.112 0.000 1.176 285 A CA 2.174 54.153 52.037 -0.097 0.000 0.631 285 A CB -1.002 17.997 19.000 -0.002 0.000 0.814 285 A HN 0.437 nan 8.150 nan 0.000 0.446 286 D N -0.544 119.782 120.400 -0.122 0.000 2.144 286 D HA -0.064 4.577 4.640 0.001 0.000 0.200 286 D C 2.008 178.228 176.300 -0.133 0.000 0.978 286 D CA 1.165 55.105 54.000 -0.100 0.000 0.833 286 D CB -0.395 40.360 40.800 -0.076 0.000 0.961 286 D HN 0.208 nan 8.370 nan 0.000 0.470 287 V N 0.703 120.499 119.914 -0.197 0.000 2.295 287 V HA -0.206 3.915 4.120 0.001 0.000 0.246 287 V C 2.361 178.307 176.094 -0.247 0.000 1.049 287 V CA 1.080 63.252 62.300 -0.215 0.000 1.024 287 V CB -0.285 31.380 31.823 -0.263 0.000 0.648 287 V HN 0.120 nan 8.190 nan 0.000 0.447 288 I N -0.214 120.128 120.570 -0.380 0.000 2.315 288 I HA -0.180 3.991 4.170 0.001 0.000 0.248 288 I C 2.464 178.499 176.117 -0.137 0.000 1.117 288 I CA 1.602 62.724 61.300 -0.297 0.000 1.404 288 I CB -0.431 37.340 38.000 -0.381 0.000 1.071 288 I HN 0.194 nan 8.210 nan 0.000 0.419 289 K N 0.577 120.913 120.400 -0.107 0.000 2.103 289 K HA -0.205 4.115 4.320 0.001 0.000 0.207 289 K C 2.049 178.613 176.600 -0.060 0.000 1.048 289 K CA 1.549 57.798 56.287 -0.062 0.000 0.930 289 K CB -0.178 32.294 32.500 -0.047 0.000 0.716 289 K HN 0.376 nan 8.250 nan 0.000 0.444 290 A N 1.354 124.130 122.820 -0.073 0.000 1.898 290 A HA -0.154 4.167 4.320 0.001 0.000 0.216 290 A C 1.849 179.401 177.584 -0.054 0.000 1.181 290 A CA 1.492 53.494 52.037 -0.058 0.000 0.620 290 A CB -0.391 18.572 19.000 -0.061 0.000 0.819 290 A HN 0.455 nan 8.150 nan 0.000 0.442 291 E N -0.500 119.660 120.200 -0.067 0.000 2.106 291 E HA -0.066 4.285 4.350 0.001 0.000 0.192 291 E C 1.019 177.595 176.600 -0.040 0.000 0.984 291 E CA 0.948 57.316 56.400 -0.053 0.000 0.806 291 E CB -0.129 29.533 29.700 -0.063 0.000 0.750 291 E HN 0.581 nan 8.360 nan 0.000 0.458 292 L N -0.083 121.114 121.223 -0.044 0.000 2.857 292 L HA 0.287 4.628 4.340 0.001 0.000 0.249 292 L C 1.867 178.718 176.870 -0.031 0.000 1.172 292 L CA -0.326 54.494 54.840 -0.034 0.000 0.980 292 L CB 0.115 42.154 42.059 -0.032 0.000 1.299 292 L HN 0.050 nan 8.230 nan 0.000 0.535 293 A N 0.971 123.772 122.820 -0.032 0.000 1.887 293 A HA -0.316 4.005 4.320 0.001 0.000 0.225 293 A C 2.283 179.852 177.584 -0.024 0.000 1.464 293 A CA 2.895 54.915 52.037 -0.028 0.000 0.717 293 A CB -0.941 18.044 19.000 -0.026 0.000 0.848 293 A HN 0.235 nan 8.150 nan 0.000 0.477 294 L N -1.342 119.868 121.223 -0.022 0.000 2.027 294 L HA -0.094 4.247 4.340 0.001 0.000 0.206 294 L C 2.878 179.735 176.870 -0.022 0.000 1.074 294 L CA 2.312 57.141 54.840 -0.020 0.000 0.745 294 L CB -2.358 39.691 42.059 -0.017 0.000 0.898 294 L HN 0.743 nan 8.230 nan 0.000 0.433 295 T N -2.010 112.529 114.554 -0.024 0.000 2.942 295 T HA -0.021 4.329 4.350 0.001 0.000 0.265 295 T C 0.747 175.430 174.700 -0.028 0.000 1.062 295 T CA 0.818 62.902 62.100 -0.027 0.000 1.139 295 T CB -0.047 68.804 68.868 -0.028 0.000 0.883 295 T HN 0.420 nan 8.240 nan 0.000 0.468 296 E N 1.025 121.208 120.200 -0.029 0.000 3.132 296 E HA 0.178 4.529 4.350 0.001 0.000 0.241 296 E C -2.112 174.469 176.600 -0.033 0.000 1.196 296 E CA -1.409 54.971 56.400 -0.032 0.000 0.869 296 E CB 1.538 31.217 29.700 -0.035 0.000 1.387 296 E HN 0.262 nan 8.360 nan 0.000 0.393 297 P HA -0.018 nan 4.420 nan 0.000 0.229 297 P C 0.453 177.735 177.300 -0.029 0.000 1.160 297 P CA 0.706 63.789 63.100 -0.027 0.000 0.777 297 P CB 0.527 32.212 31.700 -0.024 0.000 0.814 298 N N -0.657 118.022 118.700 -0.034 0.000 2.203 298 N HA 0.120 4.861 4.740 0.001 0.000 0.207 298 N C 0.421 175.900 175.510 -0.051 0.000 1.130 298 N CA -0.229 52.799 53.050 -0.037 0.000 0.861 298 N CB -0.289 38.177 38.487 -0.034 0.000 1.005 298 N HN 0.153 nan 8.380 nan 0.000 0.507 299 L N 1.516 122.703 121.223 -0.060 0.000 2.534 299 L HA 0.179 4.520 4.340 0.001 0.000 0.271 299 L C -0.429 176.387 176.870 -0.090 0.000 1.178 299 L CA 0.287 55.070 54.840 -0.095 0.000 0.907 299 L CB 0.320 42.326 42.059 -0.089 0.000 1.164 299 L HN 0.094 nan 8.230 nan 0.000 0.482 300 I N 4.843 125.334 120.570 -0.132 0.000 2.478 300 I HA 0.347 4.518 4.170 0.001 0.000 0.287 300 I C -1.253 174.778 176.117 -0.143 0.000 1.042 300 I CA -0.581 60.670 61.300 -0.082 0.000 1.067 300 I CB 1.191 39.164 38.000 -0.045 0.000 1.233 300 I HN 0.440 nan 8.210 nan 0.000 0.431 301 F N 5.803 125.722 119.950 -0.051 0.000 2.411 301 F HA 0.468 4.996 4.527 0.002 0.000 0.350 301 F C 0.792 176.551 175.800 -0.069 0.000 1.114 301 F CA 0.001 57.956 58.000 -0.074 0.000 1.135 301 F CB 1.744 40.671 39.000 -0.122 0.000 1.120 301 F HN 0.459 nan 8.300 nan 0.000 0.495 302 T N 1.411 116.043 114.554 0.129 0.000 2.926 302 T HA 0.752 5.103 4.350 0.001 0.000 0.289 302 T C -1.389 173.362 174.700 0.085 0.000 1.054 302 T CA -0.926 61.222 62.100 0.080 0.000 1.015 302 T CB 1.984 70.882 68.868 0.050 0.000 1.167 302 T HN 0.395 nan 8.240 nan 0.000 0.526 303 L N 1.043 122.315 121.223 0.080 0.000 2.471 303 L HA 0.491 4.832 4.340 0.001 0.000 0.263 303 L C -1.203 175.803 176.870 0.226 0.000 0.985 303 L CA -0.292 54.620 54.840 0.119 0.000 0.868 303 L CB 1.279 43.351 42.059 0.022 0.000 1.203 303 L HN 0.821 nan 8.230 nan 0.000 0.429 304 E N 4.232 124.580 120.200 0.247 0.000 2.185 304 E HA 0.293 4.644 4.350 0.001 0.000 0.261 304 E C -1.023 175.613 176.600 0.060 0.000 0.879 304 E CA -0.862 55.639 56.400 0.169 0.000 0.756 304 E CB 2.135 31.885 29.700 0.082 0.000 1.152 304 E HN 0.347 nan 8.360 nan 0.000 0.416 305 K N 2.209 122.517 120.400 -0.153 0.000 2.448 305 K HA 0.212 4.533 4.320 0.001 0.000 0.278 305 K C -0.779 175.635 176.600 -0.310 0.000 1.009 305 K CA 0.063 55.932 56.287 -0.697 0.000 0.995 305 K CB 0.623 32.745 32.500 -0.631 0.000 0.917 305 K HN 0.238 nan 8.250 nan 0.000 0.481 306 V N 2.751 122.486 119.914 -0.299 0.000 3.159 306 V HA 0.158 4.279 4.120 0.001 0.000 0.308 306 V C -0.858 175.166 176.094 -0.117 0.000 1.190 306 V CA -0.970 61.248 62.300 -0.137 0.000 1.037 306 V CB 2.024 33.806 31.823 -0.068 0.000 1.060 306 V HN 0.912 nan 8.190 nan 0.000 0.437 307 E N 1.731 121.892 120.200 -0.065 0.000 2.392 307 E HA 0.156 4.506 4.350 0.001 0.000 0.264 307 E C -0.588 175.991 176.600 -0.034 0.000 1.024 307 E CA -0.292 56.081 56.400 -0.047 0.000 0.903 307 E CB 0.636 30.320 29.700 -0.027 0.000 0.963 307 E HN 0.411 nan 8.360 nan 0.000 0.432 308 K N 5.515 125.897 120.400 -0.030 0.000 2.349 308 K HA 0.209 4.530 4.320 0.001 0.000 0.288 308 K C -2.160 174.441 176.600 0.003 0.000 1.058 308 K CA -1.472 54.806 56.287 -0.015 0.000 0.953 308 K CB 0.562 33.051 32.500 -0.019 0.000 0.997 308 K HN 0.351 nan 8.250 nan 0.000 0.477 309 P HA 0.089 nan 4.420 nan 0.000 0.276 309 P C 0.199 177.521 177.300 0.036 0.000 1.244 309 P CA -0.448 62.671 63.100 0.030 0.000 0.801 309 P CB 0.866 32.597 31.700 0.052 0.000 1.006 310 Q N -0.339 119.477 119.800 0.026 0.000 2.083 310 Q HA -0.063 4.277 4.340 0.001 0.000 0.198 310 Q C 0.360 176.386 176.000 0.044 0.000 0.969 310 Q CA 1.496 57.311 55.803 0.021 0.000 0.838 310 Q CB 0.206 28.943 28.738 -0.002 0.000 0.900 310 Q HN 0.444 nan 8.270 nan 0.000 0.436 311 Q N -0.376 119.458 119.800 0.056 0.000 2.377 311 Q HA 0.547 4.887 4.340 0.001 0.000 0.271 311 Q C -0.869 175.275 176.000 0.240 0.000 1.077 311 Q CA -0.672 55.200 55.803 0.115 0.000 0.820 311 Q CB 2.282 31.026 28.738 0.009 0.000 1.347 311 Q HN 0.100 nan 8.270 nan 0.000 0.444 312 V N -2.538 117.577 119.914 0.335 0.000 3.182 312 V HA 0.620 4.741 4.120 0.001 0.000 0.308 312 V C -0.601 175.765 176.094 0.453 0.000 1.240 312 V CA -1.068 61.446 62.300 0.357 0.000 1.063 312 V CB 1.304 33.232 31.823 0.175 0.000 1.076 312 V HN 0.497 nan 8.190 nan 0.000 0.446 313 F N 2.044 121.999 119.950 0.008 0.000 2.496 313 F HA 0.555 5.082 4.527 0.001 0.000 0.344 313 F C 1.431 177.194 175.800 -0.061 0.000 1.155 313 F CA -0.002 57.915 58.000 -0.138 0.000 1.302 313 F CB 0.623 39.523 39.000 -0.165 0.000 1.159 313 F HN 0.922 nan 8.300 nan 0.000 0.595 314 S N 0.231 115.985 115.700 0.091 0.000 2.600 314 S HA 0.146 4.617 4.470 0.001 0.000 0.265 314 S C 1.093 175.712 174.600 0.031 0.000 1.325 314 S CA -0.125 58.108 58.200 0.056 0.000 1.002 314 S CB 0.877 64.077 63.200 0.001 0.000 0.921 314 S HN 0.630 nan 8.310 nan 0.000 0.554 315 S N 0.837 116.541 115.700 0.007 0.000 2.371 315 S HA -0.138 4.333 4.470 0.001 0.000 0.224 315 S C 1.789 176.356 174.600 -0.055 0.000 1.029 315 S CA 0.701 58.867 58.200 -0.057 0.000 0.978 315 S CB -0.772 62.396 63.200 -0.053 0.000 0.833 315 S HN 0.663 nan 8.310 nan 0.000 0.466 316 Q N 0.971 120.753 119.800 -0.030 0.000 2.112 316 Q HA -0.085 4.256 4.340 0.001 0.000 0.206 316 Q C 2.543 178.526 176.000 -0.028 0.000 0.987 316 Q CA 1.419 57.207 55.803 -0.025 0.000 0.858 316 Q CB -1.530 27.194 28.738 -0.023 0.000 0.905 316 Q HN 0.728 nan 8.270 nan 0.000 0.420 317 C N -0.333 118.942 119.300 -0.042 0.000 2.436 317 C HA -0.159 4.302 4.460 0.001 0.000 0.277 317 C C 2.651 177.652 174.990 0.018 0.000 1.241 317 C CA 1.661 60.643 59.018 -0.060 0.000 1.721 317 C CB -1.052 26.594 27.740 -0.157 0.000 2.043 317 C HN 0.561 nan 8.230 nan 0.000 0.472 318 T N 0.628 115.220 114.554 0.064 0.000 2.653 318 T HA -0.239 4.112 4.350 0.001 0.000 0.268 318 T C 1.807 176.475 174.700 -0.053 0.000 1.035 318 T CA 2.201 64.322 62.100 0.035 0.000 1.154 318 T CB -0.317 68.466 68.868 -0.142 0.000 0.862 318 T HN 0.647 nan 8.240 nan 0.000 0.441 319 K N 0.510 120.868 120.400 -0.071 0.000 2.057 319 K HA -0.051 4.270 4.320 0.001 0.000 0.206 319 K C 2.374 178.994 176.600 0.033 0.000 1.050 319 K CA 1.280 57.541 56.287 -0.043 0.000 0.935 319 K CB -0.166 32.363 32.500 0.048 0.000 0.715 319 K HN 0.177 nan 8.250 nan 0.000 0.439 320 N N 1.063 119.785 118.700 0.037 0.000 2.084 320 N HA -0.101 4.640 4.740 0.001 0.000 0.190 320 N C 1.541 177.074 175.510 0.039 0.000 1.030 320 N CA 1.226 54.307 53.050 0.050 0.000 0.849 320 N CB 0.022 38.518 38.487 0.015 0.000 1.012 320 N HN 0.076 nan 8.380 nan 0.000 0.423 321 I N -0.106 120.479 120.570 0.025 0.000 2.439 321 I HA -0.138 4.033 4.170 0.001 0.000 0.251 321 I C 1.814 177.940 176.117 0.014 0.000 1.139 321 I CA 0.573 61.899 61.300 0.043 0.000 1.438 321 I CB -0.113 37.946 38.000 0.099 0.000 1.085 321 I HN 0.199 nan 8.210 nan 0.000 0.427 322 I N 0.081 120.612 120.570 -0.066 0.000 2.252 322 I HA -0.287 3.884 4.170 0.001 0.000 0.245 322 I C 2.548 178.560 176.117 -0.175 0.000 1.102 322 I CA 1.263 62.464 61.300 -0.165 0.000 1.385 322 I CB -0.382 37.441 38.000 -0.296 0.000 1.064 322 I HN 0.308 nan 8.210 nan 0.000 0.414 323 H N -1.052 118.030 119.070 0.020 0.000 2.384 323 H HA -0.060 4.497 4.556 0.001 0.000 0.300 323 H C 2.378 177.715 175.328 0.014 0.000 1.057 323 H CA 1.037 57.092 56.048 0.012 0.000 1.370 323 H CB -0.641 29.124 29.762 0.004 0.000 1.417 323 H HN 0.379 nan 8.280 nan 0.000 0.527 324 C N 1.150 120.528 119.300 0.130 0.000 2.376 324 C HA -0.162 4.299 4.460 0.001 0.000 0.275 324 C C 2.713 177.739 174.990 0.060 0.000 1.200 324 C CA 1.046 60.109 59.018 0.075 0.000 1.756 324 C CB -1.287 26.486 27.740 0.056 0.000 2.050 324 C HN 0.419 nan 8.230 nan 0.000 0.460 325 L N 0.762 122.017 121.223 0.054 0.000 2.492 325 L HA 0.034 4.375 4.340 0.001 0.000 0.223 325 L C 2.151 179.050 176.870 0.049 0.000 1.132 325 L CA 0.911 55.779 54.840 0.046 0.000 0.850 325 L CB -0.755 41.332 42.059 0.046 0.000 0.966 325 L HN 0.477 nan 8.230 nan 0.000 0.454 326 N N 0.182 118.918 118.700 0.059 0.000 2.207 326 N HA -0.111 4.630 4.740 0.001 0.000 0.182 326 N C 1.716 177.266 175.510 0.066 0.000 1.020 326 N CA 0.971 54.062 53.050 0.068 0.000 0.858 326 N CB 0.089 38.631 38.487 0.091 0.000 0.991 326 N HN -0.028 nan 8.380 nan 0.000 0.427 327 V N 0.917 120.871 119.914 0.067 0.000 2.515 327 V HA -0.047 4.073 4.120 0.001 0.000 0.250 327 V C 1.013 177.125 176.094 0.031 0.000 1.058 327 V CA 0.299 62.627 62.300 0.046 0.000 1.064 327 V CB -0.726 31.122 31.823 0.041 0.000 0.675 327 V HN 0.338 nan 8.190 nan 0.000 0.461 328 L N 3.231 124.472 121.223 0.030 0.000 2.776 328 L HA 0.032 4.372 4.340 0.001 0.000 0.283 328 L C -2.121 174.756 176.870 0.011 0.000 1.194 328 L CA -0.737 54.113 54.840 0.017 0.000 0.947 328 L CB -0.513 41.559 42.059 0.022 0.000 1.255 328 L HN 0.074 nan 8.230 nan 0.000 0.481 329 P HA 0.076 nan 4.420 nan 0.000 0.262 329 P C -1.182 176.116 177.300 -0.003 0.000 1.182 329 P CA 0.322 63.415 63.100 -0.012 0.000 0.761 329 P CB 0.415 32.088 31.700 -0.045 0.000 0.795 330 N N 1.445 120.149 118.700 0.008 0.000 2.308 330 N HA 0.615 5.356 4.740 0.001 0.000 0.283 330 N C -0.260 175.260 175.510 0.015 0.000 1.105 330 N CA 0.425 53.482 53.050 0.013 0.000 0.840 330 N CB 1.669 40.169 38.487 0.021 0.000 1.633 330 N HN 0.581 nan 8.380 nan 0.000 0.476 331 G N 0.099 108.909 108.800 0.017 0.000 2.508 331 G HA2 -0.201 3.760 3.960 0.001 0.000 0.220 331 G HA3 -0.201 3.760 3.960 0.001 0.000 0.220 331 G C -1.170 173.740 174.900 0.016 0.000 1.287 331 G CA -0.355 44.754 45.100 0.016 0.000 0.916 331 G HN 0.729 nan 8.290 nan 0.000 0.574 332 V N 1.092 121.010 119.914 0.006 0.000 2.485 332 V HA 0.263 4.384 4.120 0.001 0.000 0.287 332 V C 1.703 177.807 176.094 0.016 0.000 1.022 332 V CA 0.601 62.899 62.300 -0.005 0.000 1.067 332 V CB 1.019 32.833 31.823 -0.016 0.000 0.967 332 V HN 0.842 nan 8.190 nan 0.000 0.479 333 V N 5.075 125.008 119.914 0.031 0.000 2.685 333 V HA 0.191 4.312 4.120 0.001 0.000 0.244 333 V C 0.878 177.014 176.094 0.071 0.000 1.054 333 V CA 0.945 63.282 62.300 0.062 0.000 1.076 333 V CB -0.080 31.794 31.823 0.084 0.000 0.725 333 V HN 0.866 nan 8.190 nan 0.000 0.467 334 R N 0.098 120.626 120.500 0.047 0.000 2.561 334 R HA 0.326 4.666 4.340 0.001 0.000 0.266 334 R C -1.313 174.985 176.300 -0.003 0.000 1.091 334 R CA -0.451 55.668 56.100 0.032 0.000 0.927 334 R CB 1.422 31.753 30.300 0.051 0.000 1.240 334 R HN 0.325 nan 8.270 nan 0.000 0.449 335 N N 0.640 119.333 118.700 -0.011 0.000 2.524 335 N HA 0.151 4.892 4.740 0.001 0.000 0.283 335 N C -0.763 174.737 175.510 -0.017 0.000 1.142 335 N CA -0.285 52.748 53.050 -0.027 0.000 0.984 335 N CB 1.668 40.141 38.487 -0.023 0.000 1.155 335 N HN 0.400 nan 8.380 nan 0.000 0.467 336 S N 0.254 115.940 115.700 -0.022 0.000 2.562 336 S HA 0.010 4.481 4.470 0.001 0.000 0.281 336 S C 0.340 174.930 174.600 -0.017 0.000 1.333 336 S CA -0.346 57.845 58.200 -0.015 0.000 1.052 336 S CB 0.368 63.558 63.200 -0.017 0.000 0.884 336 S HN 0.479 nan 8.310 nan 0.000 0.506 337 D N 2.363 122.754 120.400 -0.015 0.000 2.324 337 D HA -0.017 4.624 4.640 0.001 0.000 0.212 337 D C 1.936 178.226 176.300 -0.017 0.000 0.984 337 D CA 1.124 55.115 54.000 -0.015 0.000 0.885 337 D CB -0.077 40.715 40.800 -0.014 0.000 0.996 337 D HN 0.512 nan 8.370 nan 0.000 0.505 338 V N -0.752 119.151 119.914 -0.018 0.000 2.951 338 V HA 0.167 4.288 4.120 0.001 0.000 0.255 338 V C 1.094 177.173 176.094 -0.025 0.000 1.088 338 V CA 0.441 62.729 62.300 -0.020 0.000 1.109 338 V CB -0.163 31.649 31.823 -0.019 0.000 0.724 338 V HN -0.071 nan 8.190 nan 0.000 0.471 339 I N 0.551 121.104 120.570 -0.028 0.000 2.569 339 I HA 0.439 4.610 4.170 0.001 0.000 0.296 339 I C -0.093 176.002 176.117 -0.035 0.000 1.028 339 I CA -0.534 60.745 61.300 -0.035 0.000 1.082 339 I CB 2.210 40.185 38.000 -0.043 0.000 1.264 339 I HN 0.094 nan 8.210 nan 0.000 0.429 340 E N 4.668 124.846 120.200 -0.037 0.000 2.316 340 E HA 0.050 4.401 4.350 0.001 0.000 0.275 340 E C 0.017 176.588 176.600 -0.047 0.000 1.029 340 E CA -0.072 56.307 56.400 -0.036 0.000 0.871 340 E CB 0.429 30.111 29.700 -0.031 0.000 1.022 340 E HN 0.609 nan 8.360 nan 0.000 0.418 341 N N 2.287 120.958 118.700 -0.049 0.000 2.735 341 N HA -0.171 4.570 4.740 0.001 0.000 0.248 341 N C -1.924 173.523 175.510 -0.105 0.000 1.083 341 N CA 0.828 53.837 53.050 -0.069 0.000 0.703 341 N CB -0.801 37.647 38.487 -0.066 0.000 1.005 341 N HN 0.179 nan 8.380 nan 0.000 0.550 342 V N 0.043 119.905 119.914 -0.087 0.000 2.638 342 V HA 0.434 4.555 4.120 0.001 0.000 0.306 342 V C 0.485 176.524 176.094 -0.092 0.000 1.052 342 V CA -1.034 61.210 62.300 -0.094 0.000 0.885 342 V CB 2.105 33.891 31.823 -0.062 0.000 0.999 342 V HN -0.018 nan 8.190 nan 0.000 0.424 343 V N 3.545 123.362 119.914 -0.162 0.000 2.572 343 V HA 0.070 4.191 4.120 0.001 0.000 0.291 343 V C 1.339 177.343 176.094 -0.149 0.000 1.039 343 V CA 0.524 62.666 62.300 -0.264 0.000 1.055 343 V CB 1.131 32.596 31.823 -0.596 0.000 0.969 343 V HN 1.105 nan 8.190 nan 0.000 0.482 344 E N 3.051 123.225 120.200 -0.043 0.000 2.086 344 E HA -0.009 4.342 4.350 0.001 0.000 0.190 344 E C 0.218 176.924 176.600 0.176 0.000 0.975 344 E CA 0.854 57.297 56.400 0.073 0.000 0.813 344 E CB 0.444 30.167 29.700 0.039 0.000 0.768 344 E HN 0.761 nan 8.360 nan 0.000 0.457 345 T N 0.168 114.800 114.554 0.129 0.000 2.993 345 T HA 0.393 4.744 4.350 0.001 0.000 0.312 345 T C -1.191 173.584 174.700 0.126 0.000 1.115 345 T CA -0.549 61.659 62.100 0.180 0.000 1.027 345 T CB 1.751 70.702 68.868 0.137 0.000 1.116 345 T HN 0.244 nan 8.240 nan 0.000 0.464 346 S N 2.200 118.014 115.700 0.190 0.000 2.671 346 S HA 0.938 5.409 4.470 0.001 0.000 0.277 346 S C -1.396 173.262 174.600 0.098 0.000 1.165 346 S CA -1.056 57.222 58.200 0.131 0.000 0.822 346 S CB 1.456 64.758 63.200 0.170 0.000 1.150 346 S HN 1.024 nan 8.310 nan 0.000 0.479 347 L N -1.835 119.422 121.223 0.057 0.000 2.479 347 L HA 0.989 5.329 4.340 0.001 0.000 0.255 347 L C -1.004 175.880 176.870 0.023 0.000 1.026 347 L CA -0.663 54.195 54.840 0.030 0.000 0.842 347 L CB 1.668 43.727 42.059 0.001 0.000 1.444 347 L HN 0.827 nan 8.230 nan 0.000 0.409 348 S N 1.154 116.861 115.700 0.011 0.000 2.572 348 S HA 0.536 5.007 4.470 0.001 0.000 0.274 348 S C -1.135 173.468 174.600 0.004 0.000 1.150 348 S CA -0.630 57.575 58.200 0.008 0.000 0.944 348 S CB 1.591 64.792 63.200 0.002 0.000 1.071 348 S HN 0.828 nan 8.310 nan 0.000 0.479 349 I N 5.173 125.748 120.570 0.009 0.000 2.337 349 I HA 0.523 4.694 4.170 0.001 0.000 0.291 349 I C 1.040 177.164 176.117 0.012 0.000 1.046 349 I CA 0.136 61.443 61.300 0.012 0.000 1.324 349 I CB 0.629 38.640 38.000 0.018 0.000 1.409 349 I HN 0.850 nan 8.210 nan 0.000 0.494 350 G N 6.689 115.496 108.800 0.010 0.000 2.709 350 G HA2 0.231 4.192 3.960 0.001 0.000 0.208 350 G HA3 0.231 4.192 3.960 0.001 0.000 0.208 350 G C 0.061 174.971 174.900 0.016 0.000 1.129 350 G CA 0.204 45.310 45.100 0.010 0.000 0.793 350 G HN 0.441 nan 8.290 nan 0.000 0.524 351 V N 0.387 120.312 119.914 0.019 0.000 2.841 351 V HA 0.677 4.798 4.120 0.001 0.000 0.310 351 V C -1.342 174.771 176.094 0.032 0.000 1.090 351 V CA -0.902 61.414 62.300 0.025 0.000 0.930 351 V CB 2.178 34.015 31.823 0.024 0.000 1.014 351 V HN 0.121 nan 8.190 nan 0.000 0.425 352 L N 3.202 124.449 121.223 0.040 0.000 2.408 352 L HA 0.810 5.151 4.340 0.001 0.000 0.268 352 L C -0.763 176.144 176.870 0.062 0.000 0.986 352 L CA -0.147 54.724 54.840 0.052 0.000 0.820 352 L CB 1.786 43.879 42.059 0.057 0.000 1.303 352 L HN 0.799 nan 8.230 nan 0.000 0.411 353 K N 2.102 122.547 120.400 0.074 0.000 2.523 353 K HA 0.580 4.901 4.320 0.001 0.000 0.257 353 K C -1.379 175.291 176.600 0.117 0.000 0.932 353 K CA -0.540 55.798 56.287 0.086 0.000 0.812 353 K CB 2.133 34.675 32.500 0.071 0.000 1.326 353 K HN 0.626 nan 8.250 nan 0.000 0.433 354 T N 2.903 117.543 114.554 0.143 0.000 2.733 354 T HA 0.242 4.593 4.350 0.001 0.000 0.294 354 T C -0.576 174.224 174.700 0.167 0.000 0.956 354 T CA -0.261 61.954 62.100 0.192 0.000 0.987 354 T CB 0.907 69.932 68.868 0.262 0.000 0.920 354 T HN 0.504 nan 8.240 nan 0.000 0.470 355 E N 1.425 121.723 120.200 0.164 0.000 2.469 355 E HA 0.307 4.658 4.350 0.001 0.000 0.246 355 E C -0.692 176.014 176.600 0.176 0.000 0.969 355 E CA -1.043 55.451 56.400 0.157 0.000 0.881 355 E CB 0.714 30.504 29.700 0.150 0.000 1.320 355 E HN 0.427 nan 8.360 nan 0.000 0.421 356 D N 2.062 122.558 120.400 0.160 0.000 2.412 356 D HA 0.032 4.673 4.640 0.001 0.000 0.257 356 D C -0.222 176.167 176.300 0.148 0.000 1.217 356 D CA 0.533 54.624 54.000 0.153 0.000 0.897 356 D CB 0.098 40.960 40.800 0.103 0.000 1.132 356 D HN 0.396 nan 8.370 nan 0.000 0.493 357 N N 0.997 119.760 118.700 0.104 0.000 2.900 357 N HA -0.249 4.491 4.740 0.001 0.000 0.240 357 N C -0.617 174.531 175.510 -0.604 0.000 0.953 357 N CA 1.061 53.991 53.050 -0.201 0.000 0.950 357 N CB -1.235 37.111 38.487 -0.236 0.000 1.102 357 N HN 0.343 nan 8.380 nan 0.000 0.593 358 F N -0.710 119.209 119.950 -0.052 0.000 2.619 358 F HA 0.531 5.058 4.527 0.001 0.000 0.308 358 F C 0.019 175.787 175.800 -0.054 0.000 1.097 358 F CA -0.831 57.126 58.000 -0.072 0.000 0.953 358 F CB 1.661 40.643 39.000 -0.031 0.000 1.287 358 F HN -0.317 nan 8.300 nan 0.000 0.446 359 V N 2.701 122.705 119.914 0.149 0.000 2.394 359 V HA 0.530 4.651 4.120 0.001 0.000 0.282 359 V C -0.361 175.810 176.094 0.127 0.000 1.031 359 V CA -0.668 61.709 62.300 0.128 0.000 0.881 359 V CB 1.552 33.440 31.823 0.109 0.000 0.982 359 V HN 0.669 nan 8.190 nan 0.000 0.451 360 R N 3.314 123.875 120.500 0.102 0.000 2.445 360 R HA 0.639 4.979 4.340 0.001 0.000 0.308 360 R C -0.695 175.634 176.300 0.050 0.000 0.961 360 R CA -0.092 56.044 56.100 0.060 0.000 0.862 360 R CB 1.475 31.800 30.300 0.042 0.000 1.144 360 R HN 0.716 nan 8.270 nan 0.000 0.447 361 S N 2.000 117.720 115.700 0.033 0.000 2.502 361 S HA 0.514 4.984 4.470 0.001 0.000 0.304 361 S C -0.843 173.766 174.600 0.015 0.000 1.097 361 S CA -0.598 57.619 58.200 0.029 0.000 1.045 361 S CB 2.124 65.342 63.200 0.029 0.000 1.019 361 S HN 0.681 nan 8.310 nan 0.000 0.481 365 V N 5.242 125.133 119.914 -0.038 0.000 2.481 365 V HA 0.671 4.792 4.120 0.001 0.000 0.286 365 V C 0.138 176.187 176.094 -0.076 0.000 1.042 365 V CA -0.442 61.835 62.300 -0.039 0.000 0.928 365 V CB 1.651 33.446 31.823 -0.045 0.000 0.986 365 V HN 0.735 nan 8.190 nan 0.000 0.462 366 R N 2.547 123.022 120.500 -0.041 0.000 2.686 366 R HA 0.792 5.133 4.340 0.001 0.000 0.286 366 R C -0.830 175.458 176.300 -0.021 0.000 0.969 366 R CA -0.411 55.624 56.100 -0.109 0.000 0.898 366 R CB 2.184 32.366 30.300 -0.197 0.000 1.183 366 R HN 0.709 nan 8.270 nan 0.000 0.456 367 S N 1.401 117.063 115.700 -0.063 0.000 2.570 367 S HA 0.335 4.806 4.470 0.001 0.000 0.270 367 S C 0.320 174.922 174.600 0.004 0.000 1.149 367 S CA -0.726 57.497 58.200 0.038 0.000 0.837 367 S CB 1.285 64.514 63.200 0.048 0.000 1.124 367 S HN 0.632 nan 8.310 nan 0.000 0.465 368 L N 2.394 123.652 121.223 0.059 0.000 2.313 368 L HA 0.299 4.640 4.340 0.001 0.000 0.214 368 L C 0.564 177.456 176.870 0.036 0.000 1.119 368 L CA 0.667 55.534 54.840 0.045 0.000 0.809 368 L CB -0.431 41.660 42.059 0.054 0.000 0.933 368 L HN 0.597 nan 8.230 nan 0.000 0.449 369 I N -5.479 115.112 120.570 0.034 0.000 2.646 369 I HA 0.318 4.489 4.170 0.001 0.000 0.299 369 I C 0.865 176.996 176.117 0.023 0.000 1.036 369 I CA -0.765 60.553 61.300 0.029 0.000 1.074 369 I CB 1.700 39.715 38.000 0.025 0.000 1.258 369 I HN -0.199 nan 8.210 nan 0.000 0.430 370 E N 2.381 122.594 120.200 0.021 0.000 2.077 370 E HA -0.164 4.186 4.350 0.001 0.000 0.193 370 E C 2.076 178.691 176.600 0.025 0.000 0.989 370 E CA 1.941 58.350 56.400 0.016 0.000 0.800 370 E CB -0.052 29.659 29.700 0.018 0.000 0.746 370 E HN 0.884 nan 8.360 nan 0.000 0.452 371 S N -0.192 115.525 115.700 0.029 0.000 2.481 371 S HA -0.013 4.458 4.470 0.001 0.000 0.231 371 S C 2.050 176.693 174.600 0.072 0.000 0.996 371 S CA 0.919 59.142 58.200 0.039 0.000 0.942 371 S CB -0.227 62.983 63.200 0.017 0.000 0.768 371 S HN 0.242 nan 8.310 nan 0.000 0.520 372 G N 1.669 110.512 108.800 0.072 0.000 2.394 372 G HA2 -0.039 3.921 3.960 0.001 0.000 0.215 372 G HA3 -0.039 3.921 3.960 0.001 0.000 0.215 372 G C 1.525 176.500 174.900 0.125 0.000 1.165 372 G CA 0.391 45.563 45.100 0.122 0.000 0.784 372 G HN 0.507 nan 8.290 nan 0.000 0.535 373 K N 0.887 121.322 120.400 0.058 0.000 2.032 373 K HA -0.128 4.193 4.320 0.001 0.000 0.209 373 K C 3.020 179.640 176.600 0.033 0.000 1.048 373 K CA 1.711 58.010 56.287 0.020 0.000 0.927 373 K CB -0.163 32.322 32.500 -0.026 0.000 0.712 373 K HN 0.472 nan 8.250 nan 0.000 0.441 374 S N 0.077 115.810 115.700 0.055 0.000 2.402 374 S HA -0.180 4.291 4.470 0.001 0.000 0.229 374 S C 1.984 176.647 174.600 0.105 0.000 1.021 374 S CA 0.748 58.983 58.200 0.058 0.000 0.974 374 S CB -0.582 62.650 63.200 0.053 0.000 0.800 374 S HN 0.358 nan 8.310 nan 0.000 0.484 375 Y N 3.019 123.318 120.300 -0.002 0.000 2.114 375 Y HA -0.086 4.464 4.550 0.001 0.000 0.284 375 Y C 2.332 178.234 175.900 0.002 0.000 1.143 375 Y CA 1.242 59.343 58.100 0.002 0.000 1.135 375 Y CB -0.931 37.531 38.460 0.004 0.000 0.980 375 Y HN 0.129 nan 8.280 nan 0.000 0.499 376 V N 0.818 120.646 119.914 -0.143 0.000 2.332 376 V HA -0.339 3.782 4.120 0.001 0.000 0.248 376 V C 2.753 178.752 176.094 -0.159 0.000 1.055 376 V CA 1.837 63.989 62.300 -0.246 0.000 1.038 376 V CB -1.737 30.022 31.823 -0.107 0.000 0.651 376 V HN 0.575 nan 8.190 nan 0.000 0.450 377 A N -0.631 122.145 122.820 -0.074 0.000 1.908 377 A HA -0.275 4.046 4.320 0.001 0.000 0.218 377 A C 2.570 180.123 177.584 -0.052 0.000 1.181 377 A CA 2.406 54.414 52.037 -0.048 0.000 0.627 377 A CB -0.866 18.122 19.000 -0.019 0.000 0.818 377 A HN 0.496 nan 8.150 nan 0.000 0.445 378 S N -0.502 115.172 115.700 -0.043 0.000 2.356 378 S HA -0.129 4.342 4.470 0.001 0.000 0.223 378 S C 1.965 176.522 174.600 -0.071 0.000 1.032 378 S CA 1.471 59.656 58.200 -0.025 0.000 1.005 378 S CB -0.552 62.673 63.200 0.043 0.000 0.867 378 S HN 0.485 nan 8.310 nan 0.000 0.449 379 L N 1.088 122.206 121.223 -0.174 0.000 1.990 379 L HA -0.186 4.155 4.340 0.001 0.000 0.213 379 L C 2.538 179.347 176.870 -0.101 0.000 1.072 379 L CA 1.619 56.350 54.840 -0.181 0.000 0.755 379 L CB -0.724 41.146 42.059 -0.315 0.000 0.889 379 L HN 0.376 nan 8.230 nan 0.000 0.432 380 L N -0.481 120.686 121.223 -0.094 0.000 2.042 380 L HA -0.248 4.093 4.340 0.001 0.000 0.210 380 L C 2.592 179.442 176.870 -0.034 0.000 1.076 380 L CA 1.505 56.312 54.840 -0.055 0.000 0.749 380 L CB -0.523 41.506 42.059 -0.050 0.000 0.893 380 L HN 0.261 nan 8.230 nan 0.000 0.432 381 K N -0.665 119.716 120.400 -0.032 0.000 2.211 381 K HA -0.077 4.244 4.320 0.001 0.000 0.203 381 K C 2.290 178.884 176.600 -0.011 0.000 1.050 381 K CA 1.006 57.283 56.287 -0.017 0.000 0.945 381 K CB 0.024 32.517 32.500 -0.012 0.000 0.732 381 K HN 0.153 nan 8.250 nan 0.000 0.451 382 S N 1.167 116.857 115.700 -0.016 0.000 2.345 382 S HA -0.088 4.383 4.470 0.001 0.000 0.219 382 S C 1.717 176.314 174.600 -0.006 0.000 1.031 382 S CA 0.644 58.839 58.200 -0.008 0.000 0.984 382 S CB -0.182 63.012 63.200 -0.010 0.000 0.874 382 S HN 0.136 nan 8.310 nan 0.000 0.451 383 L N 2.190 123.406 121.223 -0.012 0.000 1.997 383 L HA -0.152 4.189 4.340 0.001 0.000 0.216 383 L C 2.410 179.283 176.870 0.004 0.000 1.074 383 L CA 2.221 57.060 54.840 -0.003 0.000 0.763 383 L CB -1.234 40.822 42.059 -0.006 0.000 0.890 383 L HN 0.295 nan 8.230 nan 0.000 0.434 384 A N -2.119 120.702 122.820 0.002 0.000 1.972 384 A HA -0.161 4.160 4.320 0.001 0.000 0.219 384 A C 2.359 179.950 177.584 0.011 0.000 1.169 384 A CA 1.798 53.840 52.037 0.009 0.000 0.635 384 A CB -0.745 18.258 19.000 0.004 0.000 0.810 384 A HN 0.543 nan 8.150 nan 0.000 0.446 385 S N 0.105 115.809 115.700 0.007 0.000 2.356 385 S HA -0.103 4.367 4.470 0.001 0.000 0.223 385 S C 1.820 176.426 174.600 0.009 0.000 1.032 385 S CA 1.451 59.656 58.200 0.008 0.000 1.005 385 S CB -0.474 62.729 63.200 0.006 0.000 0.867 385 S HN 0.531 nan 8.310 nan 0.000 0.449 386 L N 0.912 122.140 121.223 0.008 0.000 2.083 386 L HA -0.101 4.240 4.340 0.001 0.000 0.209 386 L C 2.485 179.363 176.870 0.013 0.000 1.083 386 L CA 1.277 56.122 54.840 0.009 0.000 0.752 386 L CB -0.547 41.517 42.059 0.008 0.000 0.899 386 L HN 0.341 nan 8.230 nan 0.000 0.433 387 A N -1.426 121.404 122.820 0.017 0.000 2.251 387 A HA -0.010 4.311 4.320 0.001 0.000 0.209 387 A C 0.954 178.549 177.584 0.019 0.000 1.187 387 A CA -0.138 51.912 52.037 0.022 0.000 0.823 387 A CB -0.159 18.858 19.000 0.028 0.000 0.846 387 A HN 0.519 nan 8.150 nan 0.000 0.486 388 Q N -1.180 118.631 119.800 0.017 0.000 2.435 388 Q HA -0.193 4.148 4.340 0.001 0.000 0.312 388 Q C 0.545 176.567 176.000 0.037 0.000 1.333 388 Q CA 0.312 56.127 55.803 0.021 0.000 0.883 388 Q CB -1.950 26.795 28.738 0.011 0.000 1.170 388 Q HN 0.798 nan 8.270 nan 0.000 0.443 389 G N -0.055 108.770 108.800 0.042 0.000 3.209 389 G HA2 0.666 4.627 3.960 0.001 0.000 0.236 389 G HA3 0.666 4.627 3.960 0.001 0.000 0.236 389 G C -0.625 174.296 174.900 0.036 0.000 1.329 389 G CA -0.535 44.602 45.100 0.062 0.000 1.015 389 G HN 0.160 nan 8.290 nan 0.000 0.571 390 N N -0.340 118.372 118.700 0.019 0.000 2.260 390 N HA 0.367 5.107 4.740 0.001 0.000 0.293 390 N C -1.382 174.112 175.510 -0.027 0.000 1.058 390 N CA -0.494 52.549 53.050 -0.011 0.000 0.824 390 N CB 2.512 40.978 38.487 -0.035 0.000 1.551 390 N HN 0.130 nan 8.380 nan 0.000 0.475 391 I N 1.977 122.532 120.570 -0.024 0.000 2.336 391 I HA 0.285 4.455 4.170 0.001 0.000 0.292 391 I C -0.022 176.075 176.117 -0.034 0.000 0.991 391 I CA -0.473 60.811 61.300 -0.027 0.000 1.227 391 I CB 0.553 38.540 38.000 -0.021 0.000 1.366 391 I HN 0.320 nan 8.210 nan 0.000 0.466 392 N N 6.708 125.385 118.700 -0.039 0.000 2.417 392 N HA 0.562 5.303 4.740 0.001 0.000 0.274 392 N C -0.952 174.543 175.510 -0.025 0.000 0.987 392 N CA -0.560 52.468 53.050 -0.036 0.000 0.912 392 N CB 2.012 40.470 38.487 -0.049 0.000 1.177 392 N HN 0.390 nan 8.380 nan 0.000 0.490 393 L N 1.754 122.966 121.223 -0.019 0.000 2.322 393 L HA 0.696 5.037 4.340 0.001 0.000 0.279 393 L C 0.132 176.998 176.870 -0.006 0.000 1.036 393 L CA -0.471 54.361 54.840 -0.013 0.000 0.807 393 L CB 1.336 43.388 42.059 -0.013 0.000 1.226 393 L HN 0.671 nan 8.230 nan 0.000 0.433 394 S N -0.439 115.262 115.700 0.001 0.000 2.615 394 S HA 0.598 5.069 4.470 0.001 0.000 0.268 394 S C 0.069 174.688 174.600 0.031 0.000 1.146 394 S CA -0.224 57.984 58.200 0.014 0.000 0.818 394 S CB 1.358 64.567 63.200 0.013 0.000 1.111 394 S HN 1.182 nan 8.310 nan 0.000 0.465 395 G N 0.739 109.570 108.800 0.052 0.000 2.305 395 G HA2 -0.179 3.781 3.960 0.001 0.000 0.287 395 G HA3 -0.179 3.781 3.960 0.001 0.000 0.287 395 G C -0.353 174.619 174.900 0.120 0.000 1.036 395 G CA 0.440 45.598 45.100 0.096 0.000 0.887 395 G HN 1.123 nan 8.290 nan 0.000 0.505 396 D N 0.138 120.579 120.400 0.069 0.000 2.383 396 D HA 0.486 5.127 4.640 0.001 0.000 0.252 396 D C 0.423 176.797 176.300 0.123 0.000 1.166 396 D CA 0.132 54.149 54.000 0.029 0.000 0.879 396 D CB 0.085 40.890 40.800 0.009 0.000 1.164 396 D HN 0.581 nan 8.370 nan 0.000 0.462 397 Y N 1.299 121.607 120.300 0.013 0.000 2.524 397 Y HA 0.675 5.226 4.550 0.001 0.000 0.347 397 Y C -2.887 173.029 175.900 0.026 0.000 1.005 397 Y CA -2.800 55.311 58.100 0.018 0.000 1.025 397 Y CB 1.097 39.565 38.460 0.013 0.000 1.275 397 Y HN 0.153 nan 8.280 nan 0.000 0.460 398 P HA 0.292 nan 4.420 nan 0.000 0.276 398 P C 0.079 177.497 177.300 0.198 0.000 1.244 398 P CA 0.073 63.253 63.100 0.135 0.000 0.801 398 P CB 1.434 33.209 31.700 0.124 0.000 1.006 399 G N -0.013 108.873 108.800 0.145 0.000 2.588 399 G HA2 0.287 4.248 3.960 0.001 0.000 0.281 399 G HA3 0.287 4.248 3.960 0.001 0.000 0.281 399 G C -1.609 173.459 174.900 0.281 0.000 1.236 399 G CA -0.393 44.821 45.100 0.190 0.000 0.969 399 G HN 0.519 nan 8.290 nan 0.000 0.504 400 W N 1.263 122.601 121.300 0.063 0.000 2.296 400 W HA 0.488 5.149 4.660 0.001 0.000 0.316 400 W C -0.303 176.241 176.519 0.042 0.000 1.022 400 W CA -1.565 55.815 57.345 0.057 0.000 1.324 400 W CB 0.345 29.842 29.460 0.062 0.000 1.227 400 W HN 0.465 nan 8.180 nan 0.000 0.409 401 E N 6.852 127.128 120.200 0.128 0.000 2.167 401 E HA 0.228 4.579 4.350 0.001 0.000 0.284 401 E C -2.087 174.396 176.600 -0.195 0.000 1.016 401 E CA -1.799 54.576 56.400 -0.042 0.000 0.817 401 E CB 0.655 30.376 29.700 0.036 0.000 1.080 401 E HN 0.158 nan 8.360 nan 0.000 0.397 402 P HA -0.118 nan 4.420 nan 0.000 0.263 402 P C -0.485 176.737 177.300 -0.130 0.000 1.175 402 P CA 0.526 63.438 63.100 -0.313 0.000 0.761 402 P CB 0.409 31.964 31.700 -0.242 0.000 0.794 403 Q N 1.065 120.817 119.800 -0.080 0.000 2.421 403 Q HA 0.057 4.397 4.340 0.001 0.000 0.255 403 Q C 1.524 177.526 176.000 0.003 0.000 1.013 403 Q CA 0.131 55.940 55.803 0.010 0.000 0.895 403 Q CB 0.406 29.179 28.738 0.058 0.000 1.271 403 Q HN 0.523 nan 8.270 nan 0.000 0.460 404 S N 0.911 116.635 115.700 0.040 0.000 2.368 404 S HA -0.150 4.321 4.470 0.001 0.000 0.225 404 S C 0.551 175.217 174.600 0.110 0.000 1.030 404 S CA 1.078 59.312 58.200 0.056 0.000 0.999 404 S CB -0.027 63.210 63.200 0.062 0.000 0.844 404 S HN 0.722 nan 8.310 nan 0.000 0.459 405 H N -0.287 118.791 119.070 0.013 0.000 2.961 405 H HA 0.597 5.154 4.556 0.001 0.000 0.371 405 H C -1.784 173.561 175.328 0.027 0.000 1.190 405 H CA -0.388 55.669 56.048 0.015 0.000 1.138 405 H CB 2.139 31.909 29.762 0.014 0.000 1.816 405 H HN 0.254 nan 8.280 nan 0.000 0.551 406 S N 2.806 118.239 115.700 -0.445 0.000 2.750 406 S HA 0.156 4.627 4.470 0.001 0.000 0.276 406 S C -0.110 174.382 174.600 -0.180 0.000 1.165 406 S CA -0.680 57.425 58.200 -0.158 0.000 1.047 406 S CB 0.859 64.009 63.200 -0.084 0.000 1.056 406 S HN 0.663 nan 8.310 nan 0.000 0.481 407 D N 3.350 123.773 120.400 0.039 0.000 2.178 407 D HA -0.066 4.575 4.640 0.001 0.000 0.202 407 D C 1.677 177.993 176.300 0.026 0.000 0.974 407 D CA 0.815 54.860 54.000 0.074 0.000 0.841 407 D CB 0.103 40.970 40.800 0.111 0.000 0.953 407 D HN 0.576 nan 8.370 nan 0.000 0.478 408 I N 0.735 121.319 120.570 0.023 0.000 2.546 408 I HA -0.164 4.007 4.170 0.001 0.000 0.255 408 I C 1.953 178.079 176.117 0.015 0.000 1.163 408 I CA 0.536 61.849 61.300 0.021 0.000 1.457 408 I CB -0.121 37.897 38.000 0.030 0.000 1.092 408 I HN -0.103 nan 8.210 nan 0.000 0.434 409 L N 0.458 121.679 121.223 -0.004 0.000 1.994 409 L HA -0.205 4.136 4.340 0.001 0.000 0.208 409 L C 2.062 178.922 176.870 -0.017 0.000 1.071 409 L CA 1.968 56.802 54.840 -0.011 0.000 0.745 409 L CB -1.142 40.884 42.059 -0.055 0.000 0.892 409 L HN 0.227 nan 8.230 nan 0.000 0.431 410 D N -0.394 119.982 120.400 -0.040 0.000 2.126 410 D HA -0.246 4.395 4.640 0.001 0.000 0.190 410 D C 2.188 178.488 176.300 -0.001 0.000 1.001 410 D CA 1.837 55.827 54.000 -0.017 0.000 0.841 410 D CB -0.462 40.341 40.800 0.005 0.000 0.949 410 D HN 0.325 nan 8.370 nan 0.000 0.446 411 L N 0.898 122.124 121.223 0.004 0.000 2.017 411 L HA -0.140 4.201 4.340 0.001 0.000 0.208 411 L C 2.214 179.083 176.870 -0.002 0.000 1.073 411 L CA 1.856 56.695 54.840 -0.002 0.000 0.745 411 L CB -1.086 40.977 42.059 0.007 0.000 0.894 411 L HN -0.028 nan 8.230 nan 0.000 0.432 412 T N -0.492 114.070 114.554 0.014 0.000 2.720 412 T HA -0.255 4.096 4.350 0.001 0.000 0.268 412 T C 1.948 176.699 174.700 0.086 0.000 1.037 412 T CA 1.838 63.962 62.100 0.040 0.000 1.144 412 T CB -0.221 68.687 68.868 0.067 0.000 0.864 412 T HN 0.312 nan 8.240 nan 0.000 0.444 413 K N 0.213 120.648 120.400 0.059 0.000 2.032 413 K HA -0.124 4.196 4.320 0.001 0.000 0.209 413 K C 2.538 179.167 176.600 0.048 0.000 1.048 413 K CA 1.553 57.872 56.287 0.054 0.000 0.927 413 K CB -0.231 32.276 32.500 0.013 0.000 0.712 413 K HN 0.265 nan 8.250 nan 0.000 0.441 414 T N 1.757 116.320 114.554 0.015 0.000 2.674 414 T HA -0.113 4.238 4.350 0.001 0.000 0.265 414 T C 1.796 176.488 174.700 -0.015 0.000 1.039 414 T CA 1.184 63.277 62.100 -0.011 0.000 1.150 414 T CB -0.086 68.757 68.868 -0.043 0.000 0.864 414 T HN 0.082 nan 8.240 nan 0.000 0.427 415 I N 0.175 120.727 120.570 -0.030 0.000 2.163 415 I HA -0.139 4.031 4.170 0.001 0.000 0.243 415 I C 2.226 178.339 176.117 -0.006 0.000 1.085 415 I CA 1.487 62.750 61.300 -0.062 0.000 1.347 415 I CB -1.225 36.713 38.000 -0.103 0.000 1.044 415 I HN 0.224 nan 8.210 nan 0.000 0.408 416 Y N 1.584 121.854 120.300 -0.050 0.000 2.181 416 Y HA -0.166 4.385 4.550 0.002 0.000 0.288 416 Y C 2.672 178.553 175.900 -0.031 0.000 1.146 416 Y CA 1.244 59.322 58.100 -0.036 0.000 1.164 416 Y CB -0.654 37.789 38.460 -0.029 0.000 0.982 416 Y HN 0.146 nan 8.280 nan 0.000 0.515 417 A N -0.413 122.499 122.820 0.153 0.000 1.933 417 A HA -0.243 4.077 4.320 0.001 0.000 0.218 417 A C 2.132 179.744 177.584 0.046 0.000 1.175 417 A CA 1.828 53.906 52.037 0.069 0.000 0.628 417 A CB -0.628 18.390 19.000 0.029 0.000 0.814 417 A HN 0.589 nan 8.150 nan 0.000 0.444 418 Q N -0.619 119.195 119.800 0.024 0.000 2.046 418 Q HA -0.102 4.239 4.340 0.001 0.000 0.200 418 Q C 2.145 178.153 176.000 0.013 0.000 0.975 418 Q CA 1.672 57.475 55.803 -0.000 0.000 0.836 418 Q CB -0.297 28.418 28.738 -0.037 0.000 0.896 418 Q HN 0.500 nan 8.270 nan 0.000 0.428 419 V N 0.822 120.750 119.914 0.023 0.000 2.379 419 V HA -0.208 3.913 4.120 0.001 0.000 0.245 419 V C 2.087 178.220 176.094 0.064 0.000 1.044 419 V CA 1.381 63.694 62.300 0.023 0.000 1.036 419 V CB -0.337 31.472 31.823 -0.023 0.000 0.664 419 V HN 0.330 nan 8.190 nan 0.000 0.453 420 L N -0.559 120.732 121.223 0.113 0.000 2.162 420 L HA 0.198 4.539 4.340 0.001 0.000 0.205 420 L C 2.086 178.989 176.870 0.055 0.000 1.086 420 L CA 1.335 56.237 54.840 0.103 0.000 0.778 420 L CB -0.408 41.724 42.059 0.121 0.000 0.928 420 L HN 0.564 nan 8.230 nan 0.000 0.446 421 G N -0.421 108.405 108.800 0.043 0.000 2.358 421 G HA2 -0.275 3.686 3.960 0.001 0.000 0.224 421 G HA3 -0.275 3.686 3.960 0.001 0.000 0.224 421 G C 0.527 175.436 174.900 0.016 0.000 1.073 421 G CA 0.305 45.420 45.100 0.024 0.000 0.635 421 G HN 0.392 nan 8.290 nan 0.000 0.509 422 T N -0.052 114.510 114.554 0.014 0.000 2.952 422 T HA 0.612 4.963 4.350 0.001 0.000 0.286 422 T C -0.578 174.116 174.700 -0.011 0.000 1.024 422 T CA -0.265 61.834 62.100 -0.001 0.000 1.029 422 T CB 2.203 71.066 68.868 -0.008 0.000 1.094 422 T HN 0.071 nan 8.240 nan 0.000 0.515 423 D N 2.861 123.247 120.400 -0.023 0.000 2.399 423 D HA 0.314 4.955 4.640 0.001 0.000 0.241 423 D C -1.693 174.556 176.300 -0.085 0.000 1.133 423 D CA -0.929 53.048 54.000 -0.038 0.000 0.890 423 D CB 0.391 41.172 40.800 -0.032 0.000 1.201 423 D HN 0.426 nan 8.370 nan 0.000 0.432 424 P HA 0.198 nan 4.420 nan 0.000 0.278 424 P C -0.737 176.463 177.300 -0.166 0.000 1.258 424 P CA -0.524 62.420 63.100 -0.260 0.000 0.811 424 P CB 0.960 32.401 31.700 -0.431 0.000 1.063 425 E N 0.570 120.668 120.200 -0.171 0.000 2.259 425 E HA 0.368 4.719 4.350 0.001 0.000 0.281 425 E C -0.337 176.222 176.600 -0.069 0.000 1.027 425 E CA -0.452 55.893 56.400 -0.091 0.000 0.838 425 E CB 0.678 30.343 29.700 -0.060 0.000 1.066 425 E HN 0.359 nan 8.360 nan 0.000 0.401 426 I N 3.832 124.383 120.570 -0.032 0.000 2.330 426 I HA 0.251 4.421 4.170 0.001 0.000 0.289 426 I C -0.063 176.069 176.117 0.025 0.000 1.001 426 I CA -0.337 60.961 61.300 -0.003 0.000 1.193 426 I CB 0.657 38.642 38.000 -0.025 0.000 1.345 426 I HN 0.296 nan 8.210 nan 0.000 0.461 427 K N 5.018 125.483 120.400 0.107 0.000 2.433 427 K HA 0.737 5.058 4.320 0.001 0.000 0.252 427 K C -1.174 175.422 176.600 -0.008 0.000 1.015 427 K CA -0.920 55.413 56.287 0.077 0.000 0.860 427 K CB 3.120 35.718 32.500 0.163 0.000 1.359 427 K HN 0.344 nan 8.250 nan 0.000 0.452 428 V N 0.158 119.995 119.914 -0.127 0.000 2.555 428 V HA 0.604 4.725 4.120 0.001 0.000 0.302 428 V C -0.663 175.264 176.094 -0.278 0.000 1.038 428 V CA -0.676 61.495 62.300 -0.215 0.000 0.887 428 V CB 1.280 32.998 31.823 -0.176 0.000 0.991 428 V HN 0.770 nan 8.190 nan 0.000 0.434 429 I N 4.216 124.558 120.570 -0.381 0.000 2.460 429 I HA 0.502 4.673 4.170 0.001 0.000 0.298 429 I C -0.323 175.750 176.117 -0.074 0.000 0.989 429 I CA -0.907 60.170 61.300 -0.372 0.000 1.173 429 I CB 1.541 39.101 38.000 -0.733 0.000 1.338 429 I HN 0.997 nan 8.210 nan 0.000 0.456 430 H N 6.611 125.637 119.070 -0.073 0.000 2.799 430 H HA 0.636 5.193 4.556 0.001 0.000 0.225 430 H C -0.670 174.722 175.328 0.106 0.000 1.904 430 H CA 0.177 56.238 56.048 0.022 0.000 1.344 430 H CB -0.151 29.631 29.762 0.032 0.000 1.744 430 H HN 0.624 nan 8.280 nan 0.000 0.542 431 A N 1.178 124.015 122.820 0.028 0.000 2.586 431 A HA 0.591 4.912 4.320 0.001 0.000 0.290 431 A C -0.254 177.424 177.584 0.157 0.000 1.086 431 A CA -0.424 51.703 52.037 0.151 0.000 0.665 431 A CB 0.501 19.641 19.000 0.234 0.000 1.279 431 A HN 0.551 nan 8.150 nan 0.000 0.423 432 G N 0.126 109.068 108.800 0.236 0.000 2.333 432 G HA2 0.544 4.505 3.960 0.001 0.000 0.290 432 G HA3 0.544 4.505 3.960 0.001 0.000 0.290 432 G C -0.470 174.498 174.900 0.114 0.000 1.150 432 G CA -0.094 45.151 45.100 0.241 0.000 0.895 432 G HN 0.635 nan 8.290 nan 0.000 0.444 433 L N 1.399 122.691 121.223 0.116 0.000 2.303 433 L HA 0.411 4.751 4.340 0.001 0.000 0.266 433 L C 1.097 177.935 176.870 -0.053 0.000 1.011 433 L CA -0.806 54.064 54.840 0.049 0.000 0.818 433 L CB 2.279 44.404 42.059 0.109 0.000 1.326 433 L HN 0.577 nan 8.230 nan 0.000 0.435 434 E N -0.337 119.800 120.200 -0.104 0.000 2.427 434 E HA -0.070 4.281 4.350 0.001 0.000 0.196 434 E C 1.638 178.126 176.600 -0.186 0.000 1.028 434 E CA 0.379 56.698 56.400 -0.135 0.000 0.864 434 E CB 0.028 29.670 29.700 -0.097 0.000 0.813 434 E HN 0.629 nan 8.360 nan 0.000 0.514 435 C N 0.567 119.658 119.300 -0.350 0.000 2.411 435 C HA -0.096 4.364 4.460 0.001 0.000 0.279 435 C C 2.678 177.369 174.990 -0.498 0.000 1.288 435 C CA 1.078 59.679 59.018 -0.694 0.000 1.764 435 C CB -1.220 25.461 27.740 -1.766 0.000 1.974 435 C HN 0.655 nan 8.230 nan 0.000 0.498 436 G N 0.456 109.150 108.800 -0.178 0.000 2.446 436 G HA2 -0.183 3.778 3.960 0.001 0.000 0.217 436 G HA3 -0.183 3.778 3.960 0.001 0.000 0.217 436 G C 1.550 176.475 174.900 0.041 0.000 1.168 436 G CA 0.676 45.814 45.100 0.065 0.000 0.771 436 G HN 0.519 nan 8.290 nan 0.000 0.551 437 L N -0.095 121.139 121.223 0.019 0.000 2.056 437 L HA 0.007 4.348 4.340 0.001 0.000 0.207 437 L C 2.937 179.824 176.870 0.028 0.000 1.078 437 L CA 0.562 55.420 54.840 0.030 0.000 0.749 437 L CB -0.364 41.703 42.059 0.012 0.000 0.901 437 L HN 0.196 nan 8.230 nan 0.000 0.433 438 L N -0.448 120.769 121.223 -0.009 0.000 2.027 438 L HA -0.204 4.137 4.340 0.001 0.000 0.206 438 L C 2.615 179.543 176.870 0.097 0.000 1.074 438 L CA 1.033 55.903 54.840 0.050 0.000 0.745 438 L CB -0.481 41.557 42.059 -0.036 0.000 0.898 438 L HN 0.145 nan 8.230 nan 0.000 0.433 439 K N 0.764 121.175 120.400 0.018 0.000 2.147 439 K HA -0.187 4.133 4.320 0.001 0.000 0.205 439 K C 2.096 178.752 176.600 0.093 0.000 1.049 439 K CA 1.300 57.633 56.287 0.077 0.000 0.936 439 K CB -0.112 32.441 32.500 0.088 0.000 0.722 439 K HN 0.037 nan 8.250 nan 0.000 0.446 440 K N 0.252 120.695 120.400 0.072 0.000 2.044 440 K HA -0.150 4.170 4.320 0.001 0.000 0.210 440 K C 1.836 178.447 176.600 0.019 0.000 1.049 440 K CA 1.995 58.315 56.287 0.054 0.000 0.927 440 K CB -0.164 32.366 32.500 0.051 0.000 0.713 440 K HN 0.216 nan 8.250 nan 0.000 0.443 441 I N -0.841 119.737 120.570 0.012 0.000 2.716 441 I HA -0.142 4.028 4.170 0.001 0.000 0.259 441 I C 0.275 176.203 176.117 -0.315 0.000 1.172 441 I CA 0.534 61.758 61.300 -0.125 0.000 1.478 441 I CB 0.242 38.192 38.000 -0.084 0.000 1.104 441 I HN 0.041 nan 8.210 nan 0.000 0.439 442 Y N 0.323 120.642 120.300 0.032 0.000 2.658 442 Y HA 0.297 4.848 4.550 0.002 0.000 0.362 442 Y C -1.873 174.047 175.900 0.033 0.000 1.017 442 Y CA -2.063 56.056 58.100 0.031 0.000 1.134 442 Y CB 0.158 38.631 38.460 0.021 0.000 1.144 442 Y HN -0.053 nan 8.280 nan 0.000 0.655 443 P HA -0.171 nan 4.420 nan 0.000 0.218 443 P C 1.583 178.951 177.300 0.114 0.000 1.148 443 P CA 1.916 65.079 63.100 0.105 0.000 0.822 443 P CB 0.172 31.912 31.700 0.067 0.000 0.784 444 T N -4.269 110.356 114.554 0.118 0.000 3.113 444 T HA 0.115 4.466 4.350 0.001 0.000 0.256 444 T C 0.790 175.549 174.700 0.098 0.000 1.131 444 T CA 0.033 62.193 62.100 0.100 0.000 1.074 444 T CB -0.769 68.150 68.868 0.086 0.000 0.944 444 T HN -0.039 nan 8.240 nan 0.000 0.516 445 I N 2.504 123.142 120.570 0.114 0.000 2.474 445 I HA 0.279 4.450 4.170 0.001 0.000 0.287 445 I C 0.559 176.723 176.117 0.078 0.000 1.048 445 I CA -0.572 60.770 61.300 0.070 0.000 1.383 445 I CB 0.783 38.800 38.000 0.028 0.000 1.412 445 I HN 0.143 nan 8.210 nan 0.000 0.531 449 S N 4.043 119.973 115.700 0.383 0.000 2.532 449 S HA 0.897 5.367 4.470 0.001 0.000 0.299 449 S C -0.839 173.859 174.600 0.163 0.000 1.105 449 S CA -0.169 58.186 58.200 0.258 0.000 1.018 449 S CB 1.071 64.504 63.200 0.390 0.000 1.021 449 S HN 1.304 nan 8.310 nan 0.000 0.483 450 I N 0.945 121.578 120.570 0.104 0.000 3.279 450 I HA 1.063 5.233 4.170 0.001 0.000 0.315 450 I C -0.115 176.004 176.117 0.002 0.000 1.187 450 I CA -1.068 60.283 61.300 0.085 0.000 0.953 450 I CB 1.888 40.008 38.000 0.200 0.000 1.279 450 I HN 0.833 nan 8.210 nan 0.000 0.465 451 G N 1.253 110.014 108.800 -0.065 0.000 2.325 451 G HA2 0.464 4.425 3.960 0.001 0.000 0.297 451 G HA3 0.464 4.425 3.960 0.001 0.000 0.297 451 G C -3.486 171.223 174.900 -0.318 0.000 1.448 451 G CA -0.741 44.108 45.100 -0.419 0.000 0.838 451 G HN 0.547 nan 8.290 nan 0.000 0.579 452 P HA 0.337 nan 4.420 nan 0.000 0.276 452 P C 0.106 177.328 177.300 -0.129 0.000 1.252 452 P CA -0.015 62.955 63.100 -0.217 0.000 0.802 452 P CB 0.706 32.241 31.700 -0.276 0.000 1.035 453 T N 2.256 116.786 114.554 -0.041 0.000 2.793 453 T HA 0.243 4.594 4.350 0.001 0.000 0.289 453 T C 0.451 175.175 174.700 0.040 0.000 0.956 453 T CA 0.565 62.670 62.100 0.008 0.000 1.177 453 T CB -0.824 68.063 68.868 0.031 0.000 0.897 453 T HN 0.195 nan 8.240 nan 0.000 0.533 454 I N 3.956 124.556 120.570 0.051 0.000 2.498 454 I HA 0.461 4.632 4.170 0.001 0.000 0.290 454 I C 0.091 176.272 176.117 0.107 0.000 1.032 454 I CA -1.129 60.227 61.300 0.092 0.000 1.073 454 I CB 1.661 39.661 38.000 0.001 0.000 1.251 454 I HN 0.263 nan 8.210 nan 0.000 0.426 455 R N 3.774 124.368 120.500 0.157 0.000 2.589 455 R HA 0.426 4.767 4.340 0.001 0.000 0.293 455 R C -0.172 176.137 176.300 0.014 0.000 0.963 455 R CA -0.941 55.200 56.100 0.068 0.000 0.905 455 R CB 0.981 31.296 30.300 0.025 0.000 1.144 455 R HN 0.720 nan 8.270 nan 0.000 0.459 456 N N -0.386 118.305 118.700 -0.015 0.000 2.740 456 N HA -0.223 4.518 4.740 0.001 0.000 0.248 456 N C -0.502 174.994 175.510 -0.023 0.000 1.062 456 N CA 0.606 53.647 53.050 -0.014 0.000 0.704 456 N CB -0.717 37.762 38.487 -0.013 0.000 0.968 456 N HN 0.770 nan 8.380 nan 0.000 0.547 457 A N -0.606 122.156 122.820 -0.097 0.000 2.483 457 A HA 0.298 4.619 4.320 0.001 0.000 0.238 457 A C 1.070 178.544 177.584 -0.185 0.000 1.070 457 A CA 1.240 53.177 52.037 -0.168 0.000 0.770 457 A CB -0.022 18.790 19.000 -0.313 0.000 1.008 457 A HN 0.700 nan 8.150 nan 0.000 0.497 458 H N -0.627 118.483 119.070 0.067 0.000 4.668 458 H HA -0.227 4.329 4.556 0.001 0.000 0.095 458 H C 1.017 176.380 175.328 0.059 0.000 0.599 458 H CA 0.951 57.042 56.048 0.071 0.000 1.148 458 H CB -1.600 28.224 29.762 0.103 0.000 0.502 458 H HN 1.162 nan 8.280 nan 0.000 0.702 459 S N 2.046 117.838 115.700 0.152 0.000 2.565 459 S HA 0.341 4.811 4.470 0.001 0.000 0.274 459 S C -1.430 173.212 174.600 0.070 0.000 1.309 459 S CA -0.991 57.265 58.200 0.094 0.000 1.043 459 S CB 0.319 63.557 63.200 0.063 0.000 0.939 459 S HN 0.030 nan 8.310 nan 0.000 0.504 460 P HA -0.011 nan 4.420 nan 0.000 0.236 460 P C -0.193 177.129 177.300 0.036 0.000 1.172 460 P CA 0.566 63.694 63.100 0.047 0.000 0.759 460 P CB 0.151 31.875 31.700 0.041 0.000 0.843 461 D N -0.672 119.744 120.400 0.025 0.000 2.319 461 D HA -0.022 4.619 4.640 0.001 0.000 0.230 461 D C 0.566 176.865 176.300 -0.001 0.000 1.094 461 D CA 0.206 54.207 54.000 0.002 0.000 0.856 461 D CB -0.216 40.575 40.800 -0.015 0.000 0.915 461 D HN 0.330 nan 8.370 nan 0.000 0.517 462 E N 2.187 122.404 120.200 0.027 0.000 2.465 462 E HA 0.007 4.358 4.350 0.001 0.000 0.260 462 E C -0.116 176.523 176.600 0.064 0.000 0.980 462 E CA 0.283 56.710 56.400 0.045 0.000 0.927 462 E CB 0.341 30.081 29.700 0.066 0.000 0.934 462 E HN 0.109 nan 8.360 nan 0.000 0.459 463 K N 1.618 122.084 120.400 0.110 0.000 2.527 463 K HA 0.552 4.873 4.320 0.001 0.000 0.260 463 K C -1.604 175.235 176.600 0.399 0.000 0.937 463 K CA -1.021 55.404 56.287 0.230 0.000 0.826 463 K CB 2.067 34.659 32.500 0.153 0.000 1.359 463 K HN 0.261 nan 8.250 nan 0.000 0.434 464 V N 1.925 122.083 119.914 0.407 0.000 2.540 464 V HA 0.282 4.403 4.120 0.001 0.000 0.302 464 V C -1.412 174.712 176.094 0.051 0.000 1.035 464 V CA -0.587 61.852 62.300 0.231 0.000 0.873 464 V CB 1.343 33.193 31.823 0.045 0.000 0.992 464 V HN 0.886 nan 8.190 nan 0.000 0.428 465 H N 5.598 124.363 119.070 -0.507 0.000 2.864 465 H HA 0.383 4.940 4.556 0.002 0.000 0.281 465 H C 0.942 175.996 175.328 -0.458 0.000 1.093 465 H CA 0.253 55.637 56.048 -1.106 0.000 1.453 465 H CB 0.859 29.904 29.762 -1.195 0.000 1.462 465 H HN 0.675 nan 8.280 nan 0.000 0.480 466 I N 6.938 127.153 120.570 -0.593 0.000 2.179 466 I HA -0.160 4.011 4.170 0.001 0.000 0.242 466 I C -0.482 175.514 176.117 -0.201 0.000 1.088 466 I CA 0.669 61.831 61.300 -0.230 0.000 1.357 466 I CB -0.857 36.979 38.000 -0.274 0.000 1.051 466 I HN 0.597 nan 8.210 nan 0.000 0.409 467 P HA -0.096 nan 4.420 nan 0.000 0.223 467 P C 1.306 178.553 177.300 -0.088 0.000 1.151 467 P CA 1.489 64.461 63.100 -0.214 0.000 0.787 467 P CB 0.038 31.582 31.700 -0.260 0.000 0.788 468 A N 0.215 122.970 122.820 -0.107 0.000 1.930 468 A HA -0.082 4.239 4.320 0.001 0.000 0.217 468 A C 2.370 179.993 177.584 0.064 0.000 1.175 468 A CA 1.523 53.579 52.037 0.031 0.000 0.627 468 A CB -1.560 17.470 19.000 0.050 0.000 0.815 468 A HN 0.062 nan 8.150 nan 0.000 0.443 469 V N 0.093 120.026 119.914 0.032 0.000 2.515 469 V HA -0.183 3.938 4.120 0.001 0.000 0.250 469 V C 2.561 178.746 176.094 0.150 0.000 1.058 469 V CA 2.006 64.343 62.300 0.061 0.000 1.064 469 V CB -0.599 31.197 31.823 -0.045 0.000 0.675 469 V HN 0.550 nan 8.190 nan 0.000 0.461 470 E N 0.342 120.624 120.200 0.136 0.000 2.107 470 E HA -0.141 4.209 4.350 0.001 0.000 0.191 470 E C 2.341 179.032 176.600 0.152 0.000 0.982 470 E CA 1.626 58.118 56.400 0.154 0.000 0.809 470 E CB -0.142 29.623 29.700 0.109 0.000 0.756 470 E HN 0.602 nan 8.360 nan 0.000 0.459 471 T N 0.558 115.178 114.554 0.111 0.000 2.737 471 T HA -0.178 4.173 4.350 0.001 0.000 0.265 471 T C 1.673 176.393 174.700 0.033 0.000 1.038 471 T CA 1.398 63.544 62.100 0.077 0.000 1.144 471 T CB -0.573 68.358 68.868 0.105 0.000 0.866 471 T HN 0.289 nan 8.240 nan 0.000 0.434 472 Y N 0.830 121.112 120.300 -0.030 0.000 2.165 472 Y HA -0.209 4.342 4.550 0.002 0.000 0.286 472 Y C 2.309 178.180 175.900 -0.047 0.000 1.155 472 Y CA 1.249 59.296 58.100 -0.087 0.000 1.164 472 Y CB -0.549 37.878 38.460 -0.055 0.000 0.978 472 Y HN 0.387 nan 8.280 nan 0.000 0.513 473 W N 1.747 122.846 121.300 -0.336 0.000 2.338 473 W HA -0.270 4.390 4.660 0.000 0.000 0.304 473 W C 1.791 178.119 176.519 -0.319 0.000 1.212 473 W CA 2.230 59.341 57.345 -0.389 0.000 1.264 473 W CB -0.126 29.226 29.460 -0.180 0.000 1.142 473 W HN 0.158 nan 8.180 nan 0.000 0.512 474 K N -0.173 120.114 120.400 -0.189 0.000 2.097 474 K HA -0.152 4.168 4.320 0.001 0.000 0.205 474 K C 1.791 178.186 176.600 -0.341 0.000 1.050 474 K CA 1.600 57.736 56.287 -0.253 0.000 0.938 474 K CB -0.521 31.923 32.500 -0.093 0.000 0.718 474 K HN 0.012 nan 8.250 nan 0.000 0.442 475 V N 1.376 121.051 119.914 -0.399 0.000 2.307 475 V HA -0.219 3.901 4.120 0.001 0.000 0.245 475 V C 2.112 177.933 176.094 -0.456 0.000 1.045 475 V CA 1.341 63.358 62.300 -0.471 0.000 1.024 475 V CB -0.392 30.976 31.823 -0.758 0.000 0.651 475 V HN 0.231 nan 8.190 nan 0.000 0.449 476 L N 1.000 121.865 121.223 -0.597 0.000 1.970 476 L HA -0.198 4.143 4.340 0.001 0.000 0.212 476 L C 2.782 179.337 176.870 -0.525 0.000 1.071 476 L CA 3.001 57.490 54.840 -0.585 0.000 0.751 476 L CB -1.119 40.457 42.059 -0.806 0.000 0.889 476 L HN 0.608 nan 8.230 nan 0.000 0.432 477 T N -3.515 110.619 114.554 -0.699 0.000 2.788 477 T HA -0.074 4.277 4.350 0.001 0.000 0.268 477 T C 1.961 176.461 174.700 -0.332 0.000 1.044 477 T CA 0.884 62.621 62.100 -0.604 0.000 1.139 477 T CB -1.516 66.852 68.868 -0.834 0.000 0.867 477 T HN 0.421 nan 8.240 nan 0.000 0.454 478 G N 1.546 110.184 108.800 -0.269 0.000 2.418 478 G HA2 -0.073 3.888 3.960 0.001 0.000 0.217 478 G HA3 -0.073 3.888 3.960 0.001 0.000 0.217 478 G C 1.523 176.427 174.900 0.007 0.000 1.158 478 G CA 0.794 45.842 45.100 -0.087 0.000 0.771 478 G HN 0.561 nan 8.290 nan 0.000 0.545 479 I N 0.334 120.842 120.570 -0.103 0.000 2.142 479 I HA -0.130 4.041 4.170 0.001 0.000 0.240 479 I C 2.730 178.811 176.117 -0.059 0.000 1.078 479 I CA 0.715 61.977 61.300 -0.064 0.000 1.343 479 I CB -0.240 37.694 38.000 -0.111 0.000 1.046 479 I HN 0.107 nan 8.210 nan 0.000 0.405 480 L N 0.501 121.648 121.223 -0.125 0.000 2.079 480 L HA -0.235 4.106 4.340 0.001 0.000 0.210 480 L C 2.737 179.544 176.870 -0.106 0.000 1.081 480 L CA 1.357 56.131 54.840 -0.110 0.000 0.752 480 L CB -0.720 41.255 42.059 -0.141 0.000 0.896 480 L HN 0.278 nan 8.230 nan 0.000 0.433 481 A N -1.123 121.607 122.820 -0.151 0.000 2.067 481 A HA -0.181 4.139 4.320 0.001 0.000 0.219 481 A C 1.402 178.712 177.584 -0.457 0.000 1.158 481 A CA 1.351 53.213 52.037 -0.292 0.000 0.661 481 A CB -0.600 18.194 19.000 -0.343 0.000 0.801 481 A HN 0.544 nan 8.150 nan 0.000 0.452 482 H N -1.875 117.152 119.070 -0.072 0.000 2.662 482 H HA 0.413 4.969 4.556 0.001 0.000 0.268 482 H C -0.305 174.997 175.328 -0.044 0.000 1.152 482 H CA -0.562 55.453 56.048 -0.055 0.000 1.072 482 H CB 0.247 29.976 29.762 -0.054 0.000 1.660 482 H HN 0.335 nan 8.280 nan 0.000 0.584 483 I N 4.150 124.728 120.570 0.014 0.000 2.618 483 I HA 0.023 4.194 4.170 0.001 0.000 0.284 483 I C -1.762 174.358 176.117 0.005 0.000 1.146 483 I CA -1.528 59.776 61.300 0.007 0.000 1.425 483 I CB 0.791 38.780 38.000 -0.017 0.000 1.383 483 I HN 0.120 nan 8.210 nan 0.000 0.562 484 P HA 0.170 nan 4.420 nan 0.000 0.279 484 P C -0.902 176.399 177.300 0.002 0.000 1.282 484 P CA -0.567 62.541 63.100 0.013 0.000 0.788 484 P CB 0.531 32.244 31.700 0.021 0.000 1.139 485 S N -0.183 115.517 115.700 0.001 0.000 2.585 485 S HA 0.220 4.690 4.470 0.001 0.000 0.273 485 S C 0.814 175.413 174.600 -0.002 0.000 1.339 485 S CA -0.639 57.558 58.200 -0.004 0.000 1.028 485 S CB 0.213 63.410 63.200 -0.004 0.000 0.906 485 S HN 0.280 nan 8.310 nan 0.000 0.528 486 R N 0.000 120.497 120.500 -0.005 0.000 2.786 486 R HA 0.000 4.341 4.340 0.001 0.000 0.208 486 R CA 0.000 56.098 56.100 -0.003 0.000 0.921 486 R CB 0.000 30.296 30.300 -0.006 0.000 0.687 486 R HN 0.000 nan 8.270 nan 0.000 0.535