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 1ofi_1_A DATA FIRST_RESID 2 DATA SEQUENCE SEMTPREIVS ELDQHIIGQA DAKRAVAIAL RNRWRRMQLQ EPLRHEVTPK DATA SEQUENCE NILMIGPTGV GKTEIARRLA KLANAPFIKV EATKFTEXXX VGKEVDSIIR DATA SEQUENCE DLTDSAGGXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXAIDAVEQN DATA SEQUENCE GIVFIDEIDK ICKXXXXXXX DVSREGVQRD LLPLVEGSTV STKHGMVKTD DATA SEQUENCE HILFIASGAF QVARPSDLIP ELQGRLPIRV ELTALSAADF ERILTEPHAS DATA SEQUENCE LTEQYKALMA TEGVNIAFTT DAVKKIAEAA FRVNEKTENI GARRLHTVME DATA SEQUENCE RLMDKISFSA SDMNGQTVNI DAAYVADALG EVVENEDLSR FIL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.553 174.600 -0.079 0.000 1.055 2 S CA 0.000 58.207 58.200 0.012 0.000 1.107 2 S CB 0.000 63.371 63.200 0.285 0.000 0.593 3 E N 0.178 120.236 120.200 -0.237 0.000 2.382 3 E HA 0.498 4.848 4.350 -0.000 0.000 0.280 3 E C -1.257 175.182 176.600 -0.269 0.000 1.161 3 E CA -0.448 55.829 56.400 -0.204 0.000 0.905 3 E CB 0.184 29.780 29.700 -0.172 0.000 1.268 3 E HN -0.001 nan 8.360 nan 0.000 0.426 4 M N 0.463 119.958 119.600 -0.176 0.000 2.061 4 M HA 0.313 4.793 4.480 -0.000 0.000 0.266 4 M C 0.843 177.022 176.300 -0.203 0.000 1.284 4 M CA 0.461 55.666 55.300 -0.159 0.000 1.112 4 M CB -0.012 32.531 32.600 -0.095 0.000 1.365 4 M HN 0.587 nan 8.290 nan 0.000 0.453 5 T N -3.277 111.186 114.554 -0.151 0.000 2.952 5 T HA 0.528 4.878 4.350 -0.000 0.000 0.286 5 T C -2.290 172.365 174.700 -0.074 0.000 1.024 5 T CA -2.004 60.015 62.100 -0.135 0.000 1.029 5 T CB 1.341 70.141 68.868 -0.114 0.000 1.094 5 T HN 0.366 nan 8.240 nan 0.000 0.515 6 P HA -0.012 nan 4.420 nan 0.000 0.222 6 P C 1.364 178.652 177.300 -0.020 0.000 1.142 6 P CA 0.709 63.797 63.100 -0.019 0.000 0.788 6 P CB 0.115 31.815 31.700 0.000 0.000 0.767 7 R N -0.092 120.390 120.500 -0.029 0.000 2.066 7 R HA -0.006 4.334 4.340 -0.000 0.000 0.224 7 R C 2.123 178.405 176.300 -0.030 0.000 1.122 7 R CA 1.160 57.245 56.100 -0.025 0.000 0.974 7 R CB -0.441 29.844 30.300 -0.025 0.000 0.871 7 R HN 0.130 nan 8.270 nan 0.000 0.435 8 E N 0.208 120.383 120.200 -0.042 0.000 2.077 8 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 8 E C 1.979 178.556 176.600 -0.038 0.000 0.989 8 E CA 1.539 57.914 56.400 -0.043 0.000 0.800 8 E CB -0.158 29.506 29.700 -0.060 0.000 0.746 8 E HN 0.375 nan 8.360 nan 0.000 0.452 9 I N 1.010 121.556 120.570 -0.040 0.000 2.142 9 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 9 I C 2.487 178.589 176.117 -0.025 0.000 1.078 9 I CA 0.878 62.158 61.300 -0.033 0.000 1.343 9 I CB -0.552 37.431 38.000 -0.028 0.000 1.046 9 I HN -0.033 nan 8.210 nan 0.000 0.405 10 V N 0.234 120.137 119.914 -0.020 0.000 2.231 10 V HA -0.372 3.748 4.120 -0.000 0.000 0.250 10 V C 2.580 178.663 176.094 -0.018 0.000 1.058 10 V CA 2.444 64.735 62.300 -0.015 0.000 1.022 10 V CB -0.872 30.945 31.823 -0.011 0.000 0.640 10 V HN 0.397 nan 8.190 nan 0.000 0.445 11 S N -1.175 114.512 115.700 -0.021 0.000 2.420 11 S HA -0.266 4.204 4.470 -0.000 0.000 0.237 11 S C 1.994 176.578 174.600 -0.027 0.000 1.023 11 S CA 1.786 59.971 58.200 -0.024 0.000 0.991 11 S CB -0.308 62.879 63.200 -0.023 0.000 0.792 11 S HN 0.683 nan 8.310 nan 0.000 0.488 12 E N 0.792 120.979 120.200 -0.021 0.000 2.152 12 E HA 0.039 4.389 4.350 -0.000 0.000 0.192 12 E C 1.780 178.388 176.600 0.012 0.000 0.983 12 E CA 0.771 57.166 56.400 -0.009 0.000 0.818 12 E CB -0.072 29.619 29.700 -0.014 0.000 0.758 12 E HN 0.486 nan 8.360 nan 0.000 0.467 13 L N 0.150 121.370 121.223 -0.004 0.000 2.162 13 L HA -0.037 4.303 4.340 -0.000 0.000 0.205 13 L C 1.739 178.611 176.870 0.005 0.000 1.086 13 L CA 0.641 55.484 54.840 0.005 0.000 0.778 13 L CB -0.354 41.695 42.059 -0.017 0.000 0.928 13 L HN 0.051 nan 8.230 nan 0.000 0.446 14 D N 0.415 120.804 120.400 -0.019 0.000 2.280 14 D HA -0.210 4.430 4.640 -0.000 0.000 0.206 14 D C 2.078 178.338 176.300 -0.068 0.000 0.988 14 D CA 1.212 55.192 54.000 -0.033 0.000 0.886 14 D CB 0.082 40.862 40.800 -0.032 0.000 0.914 14 D HN 0.525 nan 8.370 nan 0.000 0.473 15 Q N -0.415 119.315 119.800 -0.117 0.000 1.879 15 Q HA -0.096 4.244 4.340 -0.000 0.000 0.214 15 Q C 2.040 177.874 176.000 -0.277 0.000 0.973 15 Q CA 0.832 56.454 55.803 -0.302 0.000 0.856 15 Q CB -0.518 27.832 28.738 -0.646 0.000 0.907 15 Q HN 0.431 nan 8.270 nan 0.000 0.436 16 H N -0.194 118.743 119.070 -0.222 0.000 2.518 16 H HA 0.016 4.572 4.556 0.000 0.000 0.294 16 H C 0.071 175.363 175.328 -0.060 0.000 1.083 16 H CA 0.743 56.722 56.048 -0.115 0.000 1.264 16 H CB -0.205 29.498 29.762 -0.098 0.000 1.370 16 H HN 0.127 nan 8.280 nan 0.000 0.560 17 I N 0.426 121.024 120.570 0.046 0.000 2.498 17 I HA 0.217 4.387 4.170 -0.000 0.000 0.290 17 I C -0.824 175.299 176.117 0.010 0.000 1.032 17 I CA -1.041 60.277 61.300 0.030 0.000 1.073 17 I CB 2.346 40.359 38.000 0.022 0.000 1.251 17 I HN -0.117 nan 8.210 nan 0.000 0.426 18 I N 4.617 125.197 120.570 0.017 0.000 2.385 18 I HA 0.678 4.848 4.170 -0.000 0.000 0.294 18 I C 0.834 176.957 176.117 0.009 0.000 0.988 18 I CA 0.686 61.992 61.300 0.009 0.000 1.265 18 I CB 1.114 39.123 38.000 0.015 0.000 1.388 18 I HN 0.845 nan 8.210 nan 0.000 0.480 19 G N 5.101 113.901 108.800 -0.000 0.000 2.562 19 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.250 19 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.250 19 G C -0.498 174.406 174.900 0.006 0.000 1.269 19 G CA -0.244 44.855 45.100 -0.001 0.000 0.919 19 G HN 0.746 nan 8.290 nan 0.000 0.574 20 Q N -2.707 117.100 119.800 0.011 0.000 2.443 20 Q HA -0.214 4.126 4.340 -0.000 0.000 0.337 20 Q C 1.564 177.574 176.000 0.016 0.000 1.401 20 Q CA 1.912 57.727 55.803 0.019 0.000 0.943 20 Q CB -2.183 26.571 28.738 0.027 0.000 1.177 20 Q HN 2.145 nan 8.270 nan 0.000 0.394 21 A N 0.562 123.389 122.820 0.011 0.000 1.858 21 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 21 A C 1.649 179.242 177.584 0.014 0.000 1.190 21 A CA 1.672 53.714 52.037 0.009 0.000 0.617 21 A CB -0.100 18.903 19.000 0.005 0.000 0.827 21 A HN 0.449 nan 8.150 nan 0.000 0.443 22 D N 0.161 120.571 120.400 0.017 0.000 2.106 22 D HA -0.154 4.486 4.640 -0.000 0.000 0.191 22 D C 2.274 178.592 176.300 0.029 0.000 0.997 22 D CA 1.870 55.883 54.000 0.021 0.000 0.834 22 D CB -0.591 40.222 40.800 0.021 0.000 0.956 22 D HN 0.410 nan 8.370 nan 0.000 0.448 23 A N 0.757 123.599 122.820 0.036 0.000 1.883 23 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 23 A C 2.121 179.729 177.584 0.040 0.000 1.186 23 A CA 1.945 54.011 52.037 0.049 0.000 0.624 23 A CB -0.533 18.502 19.000 0.058 0.000 0.822 23 A HN 0.158 nan 8.150 nan 0.000 0.444 24 K N -0.929 119.486 120.400 0.026 0.000 2.063 24 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 24 K C 2.399 179.008 176.600 0.016 0.000 1.048 24 K CA 1.609 57.906 56.287 0.015 0.000 0.928 24 K CB -0.147 32.358 32.500 0.007 0.000 0.713 24 K HN 0.474 nan 8.250 nan 0.000 0.442 25 R N 0.144 120.655 120.500 0.018 0.000 2.062 25 R HA -0.131 4.209 4.340 -0.000 0.000 0.231 25 R C 2.164 178.480 176.300 0.027 0.000 1.136 25 R CA 1.439 57.550 56.100 0.018 0.000 0.948 25 R CB -0.342 29.968 30.300 0.016 0.000 0.845 25 R HN 0.215 nan 8.270 nan 0.000 0.430 26 A N 0.687 123.528 122.820 0.034 0.000 1.870 26 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 26 A C 2.253 179.868 177.584 0.052 0.000 1.224 26 A CA 2.586 54.649 52.037 0.044 0.000 0.650 26 A CB -1.348 17.684 19.000 0.053 0.000 0.836 26 A HN 0.407 nan 8.150 nan 0.000 0.454 27 V N -2.614 117.333 119.914 0.056 0.000 2.867 27 V HA 0.039 4.159 4.120 -0.000 0.000 0.260 27 V C 2.380 178.500 176.094 0.043 0.000 1.099 27 V CA 1.831 64.167 62.300 0.059 0.000 1.122 27 V CB -1.481 30.376 31.823 0.057 0.000 0.708 27 V HN 0.634 nan 8.190 nan 0.000 0.490 28 A N 0.891 123.729 122.820 0.031 0.000 1.897 28 A HA 0.032 4.352 4.320 -0.000 0.000 0.215 28 A C 2.139 179.740 177.584 0.029 0.000 1.181 28 A CA 1.911 53.960 52.037 0.020 0.000 0.620 28 A CB -0.501 18.505 19.000 0.010 0.000 0.821 28 A HN 0.565 nan 8.150 nan 0.000 0.443 29 I N -0.301 120.291 120.570 0.037 0.000 2.110 29 I HA -0.229 3.941 4.170 -0.000 0.000 0.236 29 I C 3.005 179.159 176.117 0.062 0.000 1.068 29 I CA 0.997 62.325 61.300 0.047 0.000 1.333 29 I CB -0.574 37.453 38.000 0.045 0.000 1.054 29 I HN 0.321 nan 8.210 nan 0.000 0.402 30 A N 0.666 123.526 122.820 0.065 0.000 1.954 30 A HA -0.294 4.026 4.320 -0.000 0.000 0.222 30 A C 2.255 179.890 177.584 0.085 0.000 1.199 30 A CA 2.296 54.380 52.037 0.079 0.000 0.657 30 A CB -1.031 18.021 19.000 0.086 0.000 0.823 30 A HN 0.463 nan 8.150 nan 0.000 0.463 31 L N -1.346 119.921 121.223 0.074 0.000 2.313 31 L HA 0.086 4.426 4.340 -0.000 0.000 0.214 31 L C 2.246 179.175 176.870 0.098 0.000 1.119 31 L CA 1.860 56.746 54.840 0.077 0.000 0.809 31 L CB -0.395 41.695 42.059 0.051 0.000 0.933 31 L HN 0.381 nan 8.230 nan 0.000 0.449 32 R N -0.021 120.536 120.500 0.094 0.000 2.062 32 R HA -0.083 4.257 4.340 -0.000 0.000 0.229 32 R C 2.041 178.481 176.300 0.233 0.000 1.128 32 R CA 1.541 57.722 56.100 0.135 0.000 0.960 32 R CB -0.644 29.710 30.300 0.089 0.000 0.855 32 R HN 0.397 nan 8.270 nan 0.000 0.432 33 N N 0.601 119.398 118.700 0.161 0.000 2.091 33 N HA -0.238 4.502 4.740 -0.000 0.000 0.193 33 N C 1.695 177.276 175.510 0.118 0.000 1.021 33 N CA 1.485 54.616 53.050 0.135 0.000 0.862 33 N CB -0.294 38.248 38.487 0.092 0.000 1.018 33 N HN 0.103 nan 8.380 nan 0.000 0.429 34 R N 0.226 120.800 120.500 0.122 0.000 2.133 34 R HA -0.178 4.162 4.340 -0.000 0.000 0.247 34 R C 1.913 178.270 176.300 0.095 0.000 1.151 34 R CA 1.522 57.676 56.100 0.090 0.000 0.971 34 R CB -0.719 29.644 30.300 0.105 0.000 0.866 34 R HN 0.463 nan 8.270 nan 0.000 0.447 35 W N 0.163 121.462 121.300 -0.001 0.000 2.453 35 W HA 0.029 4.689 4.660 0.000 0.000 0.289 35 W C 1.813 178.329 176.519 -0.005 0.000 1.215 35 W CA 0.990 58.333 57.345 -0.004 0.000 1.297 35 W CB -0.042 29.418 29.460 0.001 0.000 1.113 35 W HN -0.043 nan 8.180 nan 0.000 0.551 36 R N 0.446 120.982 120.500 0.061 0.000 2.075 36 R HA -0.126 4.214 4.340 -0.000 0.000 0.230 36 R C 1.712 177.860 176.300 -0.254 0.000 1.140 36 R CA 1.438 57.453 56.100 -0.143 0.000 0.928 36 R CB -0.833 29.520 30.300 0.089 0.000 0.834 36 R HN 0.045 nan 8.270 nan 0.000 0.429 37 R N 0.955 121.378 120.500 -0.127 0.000 2.944 37 R HA -0.120 4.220 4.340 -0.000 0.000 0.279 37 R C 0.789 176.966 176.300 -0.204 0.000 1.048 37 R CA 1.088 57.107 56.100 -0.135 0.000 1.196 37 R CB 0.292 30.536 30.300 -0.092 0.000 1.134 37 R HN 0.381 nan 8.270 nan 0.000 0.525 38 M N -0.829 118.660 119.600 -0.184 0.000 2.928 38 M HA -0.327 4.153 4.480 -0.000 0.000 0.188 38 M C 0.723 176.879 176.300 -0.240 0.000 0.632 38 M CA 2.071 57.257 55.300 -0.191 0.000 0.718 38 M CB -0.954 31.536 32.600 -0.183 0.000 2.581 38 M HN 0.793 nan 8.290 nan 0.000 0.280 39 Q N 0.640 120.240 119.800 -0.333 0.000 2.339 39 Q HA 0.431 4.771 4.340 -0.000 0.000 0.205 39 Q C 0.337 176.203 176.000 -0.223 0.000 0.925 39 Q CA 0.562 56.141 55.803 -0.372 0.000 0.898 39 Q CB 0.242 28.602 28.738 -0.631 0.000 1.013 39 Q HN 0.717 nan 8.270 nan 0.000 0.504 40 L N 1.124 122.238 121.223 -0.182 0.000 2.461 40 L HA -0.002 4.338 4.340 -0.000 0.000 0.259 40 L C 0.895 177.715 176.870 -0.083 0.000 1.248 40 L CA -0.276 54.497 54.840 -0.113 0.000 0.823 40 L CB 0.094 42.101 42.059 -0.087 0.000 1.111 40 L HN 0.246 nan 8.230 nan 0.000 0.516 41 Q N 0.240 120.008 119.800 -0.054 0.000 2.397 41 Q HA -0.013 4.327 4.340 -0.000 0.000 0.193 41 Q C 0.852 176.839 176.000 -0.021 0.000 1.083 41 Q CA -0.221 55.560 55.803 -0.036 0.000 1.108 41 Q CB 0.362 29.084 28.738 -0.026 0.000 1.172 41 Q HN 0.547 nan 8.270 nan 0.000 0.617 42 E N 0.626 120.817 120.200 -0.014 0.000 2.170 42 E HA -0.253 4.097 4.350 -0.000 0.000 0.229 42 E C -0.935 175.674 176.600 0.016 0.000 1.074 42 E CA 2.912 59.309 56.400 -0.004 0.000 0.930 42 E CB -0.846 28.852 29.700 -0.004 0.000 0.806 42 E HN 0.510 nan 8.360 nan 0.000 0.478 43 P HA 0.101 nan 4.420 nan 0.000 0.221 43 P C 1.345 178.681 177.300 0.060 0.000 1.152 43 P CA 0.627 63.757 63.100 0.049 0.000 0.851 43 P CB 0.069 31.790 31.700 0.034 0.000 0.833 44 L N -0.585 120.656 121.223 0.029 0.000 2.362 44 L HA 0.001 4.341 4.340 -0.000 0.000 0.219 44 L C 2.711 179.592 176.870 0.017 0.000 1.134 44 L CA 0.803 55.654 54.840 0.018 0.000 0.807 44 L CB -0.335 41.723 42.059 -0.003 0.000 0.927 44 L HN -0.070 nan 8.230 nan 0.000 0.447 45 R N -0.832 119.679 120.500 0.017 0.000 2.092 45 R HA -0.203 4.137 4.340 -0.000 0.000 0.231 45 R C 2.271 178.594 176.300 0.038 0.000 1.119 45 R CA 1.346 57.438 56.100 -0.014 0.000 0.970 45 R CB -0.033 30.248 30.300 -0.031 0.000 0.864 45 R HN 0.321 nan 8.270 nan 0.000 0.440 46 H N 0.224 119.305 119.070 0.018 0.000 2.497 46 H HA 0.107 4.663 4.556 0.000 0.000 0.282 46 H C 1.528 176.963 175.328 0.178 0.000 1.003 46 H CA 0.916 57.047 56.048 0.139 0.000 1.307 46 H CB 0.420 30.245 29.762 0.106 0.000 1.437 46 H HN 0.140 nan 8.280 nan 0.000 0.544 47 E N 0.226 120.455 120.200 0.047 0.000 2.106 47 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 47 E C 0.425 177.024 176.600 -0.001 0.000 0.984 47 E CA 0.468 56.851 56.400 -0.029 0.000 0.806 47 E CB -0.320 29.381 29.700 0.001 0.000 0.750 47 E HN 0.198 nan 8.360 nan 0.000 0.458 48 V N 2.656 122.596 119.914 0.043 0.000 2.555 48 V HA 0.106 4.226 4.120 -0.000 0.000 0.286 48 V C 0.177 176.347 176.094 0.126 0.000 1.044 48 V CA 0.201 62.531 62.300 0.050 0.000 1.026 48 V CB 1.023 32.862 31.823 0.027 0.000 0.981 48 V HN 0.296 nan 8.190 nan 0.000 0.480 49 T N 5.102 119.710 114.554 0.090 0.000 2.950 49 T HA 0.713 5.063 4.350 -0.000 0.000 0.288 49 T C -2.664 172.105 174.700 0.114 0.000 1.035 49 T CA -1.987 60.188 62.100 0.125 0.000 1.028 49 T CB 1.651 70.526 68.868 0.012 0.000 1.109 49 T HN 0.565 nan 8.240 nan 0.000 0.514 50 P HA 0.232 nan 4.420 nan 0.000 0.269 50 P C -0.537 176.815 177.300 0.088 0.000 1.217 50 P CA -0.422 62.754 63.100 0.127 0.000 0.783 50 P CB 0.302 32.102 31.700 0.166 0.000 0.898 51 K N 2.409 122.859 120.400 0.083 0.000 2.526 51 K HA 0.238 4.558 4.320 -0.000 0.000 0.214 51 K C -0.295 176.352 176.600 0.078 0.000 1.088 51 K CA -0.465 55.860 56.287 0.063 0.000 1.058 51 K CB -0.349 32.182 32.500 0.052 0.000 1.653 51 K HN 0.387 nan 8.250 nan 0.000 0.521 52 N N 1.689 120.445 118.700 0.093 0.000 2.283 52 N HA -0.053 4.687 4.740 -0.000 0.000 0.236 52 N C 0.388 175.956 175.510 0.097 0.000 1.252 52 N CA 0.634 53.760 53.050 0.125 0.000 0.856 52 N CB 0.826 39.397 38.487 0.141 0.000 1.099 52 N HN 0.320 nan 8.380 nan 0.000 0.444 53 I N 0.713 121.353 120.570 0.117 0.000 2.648 53 I HA 0.290 4.460 4.170 -0.000 0.000 0.304 53 I C -0.349 175.819 176.117 0.084 0.000 1.009 53 I CA -0.963 60.393 61.300 0.095 0.000 1.114 53 I CB 1.730 39.797 38.000 0.112 0.000 1.293 53 I HN 0.220 nan 8.210 nan 0.000 0.449 54 L N 6.095 127.356 121.223 0.062 0.000 2.345 54 L HA 0.506 4.846 4.340 -0.000 0.000 0.274 54 L C -0.791 176.124 176.870 0.075 0.000 0.999 54 L CA -0.153 54.721 54.840 0.057 0.000 0.849 54 L CB 0.891 42.953 42.059 0.005 0.000 1.220 54 L HN 0.478 nan 8.230 nan 0.000 0.422 55 M N 5.986 125.660 119.600 0.124 0.000 2.233 55 M HA 0.456 4.936 4.480 -0.000 0.000 0.355 55 M C -0.806 175.602 176.300 0.179 0.000 1.191 55 M CA -0.126 55.264 55.300 0.150 0.000 1.101 55 M CB 1.379 34.109 32.600 0.217 0.000 1.592 55 M HN 0.448 nan 8.290 nan 0.000 0.461 56 I N 2.323 122.981 120.570 0.147 0.000 2.468 56 I HA 0.719 4.889 4.170 -0.000 0.000 0.284 56 I C 0.037 176.241 176.117 0.144 0.000 1.038 56 I CA -0.422 60.989 61.300 0.185 0.000 1.083 56 I CB 1.870 39.926 38.000 0.094 0.000 1.223 56 I HN 0.860 nan 8.210 nan 0.000 0.443 57 G N 6.015 114.909 108.800 0.157 0.000 2.506 57 G HA2 0.592 4.552 3.960 -0.000 0.000 0.292 57 G HA3 0.592 4.552 3.960 -0.000 0.000 0.292 57 G C -3.437 171.528 174.900 0.108 0.000 1.425 57 G CA -0.784 44.385 45.100 0.115 0.000 0.788 57 G HN 0.210 nan 8.290 nan 0.000 0.490 58 P HA 0.358 nan 4.420 nan 0.000 0.302 58 P C 0.282 177.627 177.300 0.074 0.000 1.307 58 P CA -0.245 62.897 63.100 0.069 0.000 0.754 58 P CB 0.267 31.998 31.700 0.052 0.000 1.298 59 T N -1.422 113.170 114.554 0.063 0.000 2.926 59 T HA 0.346 4.696 4.350 -0.000 0.000 0.307 59 T C 1.080 175.830 174.700 0.083 0.000 1.059 59 T CA 0.294 62.435 62.100 0.068 0.000 1.122 59 T CB -0.636 68.263 68.868 0.053 0.000 0.972 59 T HN 0.844 nan 8.240 nan 0.000 0.545 60 G N 1.028 109.880 108.800 0.088 0.000 2.422 60 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.301 60 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.301 60 G C 0.549 175.520 174.900 0.119 0.000 0.981 60 G CA 0.367 45.530 45.100 0.104 0.000 0.994 60 G HN 1.525 nan 8.290 nan 0.000 0.514 61 V N -3.925 116.047 119.914 0.097 0.000 3.528 61 V HA 0.684 4.804 4.120 -0.000 0.000 0.294 61 V C 1.743 177.881 176.094 0.074 0.000 1.404 61 V CA 0.840 63.192 62.300 0.087 0.000 1.065 61 V CB 0.119 31.985 31.823 0.072 0.000 0.904 61 V HN 2.057 nan 8.190 nan 0.000 0.435 62 G N 1.027 109.870 108.800 0.070 0.000 2.184 62 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.206 62 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.206 62 G C 0.692 175.613 174.900 0.034 0.000 0.995 62 G CA 0.260 45.387 45.100 0.045 0.000 0.651 62 G HN 0.457 nan 8.290 nan 0.000 0.511 63 K N 0.007 120.455 120.400 0.079 0.000 2.286 63 K HA -0.079 4.241 4.320 -0.000 0.000 0.203 63 K C 2.182 178.805 176.600 0.038 0.000 1.045 63 K CA 1.728 58.099 56.287 0.139 0.000 0.935 63 K CB -0.156 32.494 32.500 0.250 0.000 0.737 63 K HN 0.462 nan 8.250 nan 0.000 0.460 64 T N 0.266 114.752 114.554 -0.113 0.000 3.042 64 T HA 0.011 4.361 4.350 -0.000 0.000 0.245 64 T C 1.481 175.979 174.700 -0.336 0.000 1.029 64 T CA 0.101 61.934 62.100 -0.445 0.000 1.120 64 T CB 0.162 68.841 68.868 -0.314 0.000 0.917 64 T HN 0.081 nan 8.240 nan 0.000 0.467 65 E N 1.594 121.688 120.200 -0.175 0.000 2.049 65 E HA -0.114 4.236 4.350 -0.000 0.000 0.198 65 E C 2.190 178.678 176.600 -0.186 0.000 1.007 65 E CA 1.097 57.404 56.400 -0.155 0.000 0.809 65 E CB -0.462 29.198 29.700 -0.066 0.000 0.749 65 E HN 0.509 nan 8.360 nan 0.000 0.450 66 I N 1.029 121.524 120.570 -0.126 0.000 2.118 66 I HA -0.341 3.829 4.170 -0.000 0.000 0.241 66 I C 2.592 178.614 176.117 -0.158 0.000 1.070 66 I CA 1.463 62.703 61.300 -0.101 0.000 1.327 66 I CB -0.571 37.413 38.000 -0.028 0.000 1.034 66 I HN 0.026 nan 8.210 nan 0.000 0.405 67 A N 0.629 123.335 122.820 -0.190 0.000 1.883 67 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 67 A C 2.481 179.719 177.584 -0.577 0.000 1.186 67 A CA 2.031 53.947 52.037 -0.201 0.000 0.624 67 A CB -0.735 18.147 19.000 -0.197 0.000 0.822 67 A HN 0.359 nan 8.150 nan 0.000 0.444 68 R N -1.307 118.740 120.500 -0.756 0.000 2.115 68 R HA -0.072 4.268 4.340 -0.000 0.000 0.230 68 R C 2.292 178.212 176.300 -0.634 0.000 1.111 68 R CA 0.972 56.453 56.100 -1.033 0.000 0.976 68 R CB -0.084 29.862 30.300 -0.590 0.000 0.870 68 R HN 0.319 nan 8.270 nan 0.000 0.445 69 R N 0.338 120.589 120.500 -0.414 0.000 2.100 69 R HA -0.053 4.287 4.340 -0.000 0.000 0.220 69 R C 2.252 178.400 176.300 -0.253 0.000 1.091 69 R CA 0.642 56.550 56.100 -0.320 0.000 0.986 69 R CB -0.723 29.415 30.300 -0.270 0.000 0.888 69 R HN 0.285 nan 8.270 nan 0.000 0.444 70 L N 0.771 121.864 121.223 -0.217 0.000 2.083 70 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 70 L C 2.236 179.028 176.870 -0.130 0.000 1.083 70 L CA 1.655 56.416 54.840 -0.132 0.000 0.752 70 L CB -0.343 41.670 42.059 -0.076 0.000 0.899 70 L HN 0.123 nan 8.230 nan 0.000 0.433 71 A N -0.170 122.522 122.820 -0.213 0.000 1.902 71 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 71 A C 2.289 179.795 177.584 -0.131 0.000 1.181 71 A CA 2.009 53.952 52.037 -0.158 0.000 0.623 71 A CB -0.503 18.308 19.000 -0.315 0.000 0.818 71 A HN 0.425 nan 8.150 nan 0.000 0.443 72 K N -0.058 120.225 120.400 -0.194 0.000 2.097 72 K HA -0.068 4.252 4.320 -0.000 0.000 0.205 72 K C 1.632 178.172 176.600 -0.100 0.000 1.050 72 K CA 1.450 57.651 56.287 -0.144 0.000 0.938 72 K CB -0.445 31.941 32.500 -0.189 0.000 0.718 72 K HN 0.521 nan 8.250 nan 0.000 0.442 73 L N -2.198 118.962 121.223 -0.106 0.000 2.599 73 L HA 0.350 4.690 4.340 -0.000 0.000 0.230 73 L C 1.369 178.214 176.870 -0.042 0.000 1.141 73 L CA 1.262 56.061 54.840 -0.068 0.000 0.877 73 L CB 0.052 42.068 42.059 -0.071 0.000 1.009 73 L HN 0.025 nan 8.230 nan 0.000 0.447 74 A N -0.505 122.293 122.820 -0.037 0.000 2.431 74 A HA 0.230 4.550 4.320 -0.000 0.000 0.239 74 A C 0.792 178.379 177.584 0.005 0.000 1.230 74 A CA -0.035 51.998 52.037 -0.007 0.000 0.928 74 A CB -0.717 18.287 19.000 0.006 0.000 1.006 74 A HN 0.582 nan 8.150 nan 0.000 0.520 75 N N -0.549 118.147 118.700 -0.008 0.000 2.707 75 N HA -0.197 4.543 4.740 -0.000 0.000 0.253 75 N C 0.027 175.549 175.510 0.021 0.000 0.998 75 N CA 0.137 53.189 53.050 0.003 0.000 0.751 75 N CB -0.670 37.822 38.487 0.008 0.000 0.920 75 N HN 0.674 nan 8.380 nan 0.000 0.539 76 A N 0.422 123.260 122.820 0.031 0.000 2.350 76 A HA 0.601 4.921 4.320 -0.000 0.000 0.324 76 A C -2.382 175.256 177.584 0.089 0.000 1.118 76 A CA -1.502 50.569 52.037 0.057 0.000 0.783 76 A CB 0.988 20.030 19.000 0.069 0.000 1.236 76 A HN -0.088 nan 8.150 nan 0.000 0.457 77 P HA 0.055 nan 4.420 nan 0.000 0.252 77 P C -0.997 176.372 177.300 0.115 0.000 1.183 77 P CA 0.840 63.982 63.100 0.071 0.000 0.973 77 P CB -0.407 31.311 31.700 0.030 0.000 0.990 78 F N 5.462 125.399 119.950 -0.022 0.000 2.432 78 F HA 0.691 5.218 4.527 0.000 0.000 0.329 78 F C -0.107 175.686 175.800 -0.012 0.000 1.076 78 F CA -0.958 57.029 58.000 -0.022 0.000 1.018 78 F CB 0.890 39.873 39.000 -0.029 0.000 1.201 78 F HN 0.137 nan 8.300 nan 0.000 0.489 79 I N 4.184 124.233 120.570 -0.868 0.000 2.785 79 I HA 0.343 4.513 4.170 -0.000 0.000 0.293 79 I C -2.055 173.659 176.117 -0.673 0.000 1.446 79 I CA -0.550 60.432 61.300 -0.531 0.000 1.028 79 I CB 1.909 39.762 38.000 -0.245 0.000 1.349 79 I HN 0.632 nan 8.210 nan 0.000 0.438 80 K N 6.471 126.690 120.400 -0.302 0.000 2.318 80 K HA 0.916 5.236 4.320 -0.000 0.000 0.249 80 K C -1.750 174.853 176.600 0.005 0.000 0.942 80 K CA -0.675 55.565 56.287 -0.079 0.000 0.808 80 K CB 2.120 34.671 32.500 0.084 0.000 1.189 80 K HN 0.783 nan 8.250 nan 0.000 0.428 81 V N -0.512 119.440 119.914 0.063 0.000 2.932 81 V HA 0.429 4.549 4.120 -0.000 0.000 0.307 81 V C -1.088 175.059 176.094 0.088 0.000 1.147 81 V CA -1.012 61.334 62.300 0.077 0.000 0.951 81 V CB 1.605 33.524 31.823 0.161 0.000 1.031 81 V HN 0.960 nan 8.190 nan 0.000 0.426 82 E N 2.809 123.030 120.200 0.035 0.000 2.223 82 E HA 0.593 4.943 4.350 -0.000 0.000 0.282 82 E C 1.342 177.990 176.600 0.080 0.000 1.046 82 E CA 0.290 56.708 56.400 0.030 0.000 0.857 82 E CB 1.735 31.424 29.700 -0.018 0.000 1.055 82 E HN 1.097 nan 8.360 nan 0.000 0.409 83 A N 3.390 126.275 122.820 0.109 0.000 1.971 83 A HA -0.296 4.024 4.320 -0.000 0.000 0.222 83 A C 2.070 179.786 177.584 0.220 0.000 1.182 83 A CA 2.557 54.702 52.037 0.180 0.000 0.649 83 A CB -1.150 17.887 19.000 0.062 0.000 0.818 83 A HN 0.805 nan 8.150 nan 0.000 0.458 84 T N -2.402 112.197 114.554 0.074 0.000 3.072 84 T HA -0.039 4.311 4.350 -0.000 0.000 0.266 84 T C 1.608 176.275 174.700 -0.054 0.000 1.127 84 T CA 1.313 63.431 62.100 0.031 0.000 1.107 84 T CB -0.258 68.602 68.868 -0.012 0.000 0.910 84 T HN 0.596 nan 8.240 nan 0.000 0.513 85 K N 0.786 121.054 120.400 -0.220 0.000 2.228 85 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 85 K C 0.412 176.660 176.600 -0.586 0.000 1.045 85 K CA 1.310 57.282 56.287 -0.526 0.000 0.931 85 K CB -0.342 31.610 32.500 -0.912 0.000 0.727 85 K HN 0.558 nan 8.250 nan 0.000 0.458 86 F N 0.002 119.947 119.950 -0.008 0.000 2.647 86 F HA 0.143 4.670 4.527 -0.000 0.000 0.300 86 F C 1.745 177.539 175.800 -0.009 0.000 1.106 86 F CA 0.067 58.063 58.000 -0.007 0.000 1.313 86 F CB -0.161 38.836 39.000 -0.005 0.000 1.007 86 F HN -0.022 nan 8.300 nan 0.000 0.536 87 T N -2.459 112.159 114.554 0.107 0.000 2.849 87 T HA -0.122 4.228 4.350 -0.000 0.000 0.270 87 T C 0.621 175.352 174.700 0.052 0.000 1.066 87 T CA 1.695 63.835 62.100 0.067 0.000 1.130 87 T CB 0.016 68.899 68.868 0.024 0.000 0.864 87 T HN 0.350 nan 8.240 nan 0.000 0.481 93 G N 1.846 110.652 108.800 0.011 0.000 2.536 93 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.607 93 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.607 93 G C 0.194 175.104 174.900 0.016 0.000 1.383 93 G CA 1.619 46.725 45.100 0.010 0.000 0.926 93 G HN 0.625 nan 8.290 nan 0.000 0.515 94 K N -0.565 119.846 120.400 0.019 0.000 2.307 94 K HA 0.507 4.827 4.320 -0.000 0.000 0.239 94 K C -0.615 176.021 176.600 0.060 0.000 1.083 94 K CA -0.611 55.695 56.287 0.032 0.000 0.913 94 K CB 1.403 33.917 32.500 0.023 0.000 1.322 94 K HN 0.288 nan 8.250 nan 0.000 0.514 95 E N 1.283 121.543 120.200 0.100 0.000 1.861 95 E HA 0.182 4.532 4.350 -0.000 0.000 0.263 95 E C -0.562 176.207 176.600 0.281 0.000 1.137 95 E CA 0.180 56.694 56.400 0.190 0.000 0.944 95 E CB -0.039 29.776 29.700 0.192 0.000 1.092 95 E HN 0.410 nan 8.360 nan 0.000 0.420 96 V N 3.291 123.288 119.914 0.138 0.000 3.718 96 V HA -0.111 4.009 4.120 -0.000 0.000 0.288 96 V C 0.303 176.350 176.094 -0.079 0.000 1.861 96 V CA 0.587 62.801 62.300 -0.143 0.000 1.188 96 V CB -0.201 31.399 31.823 -0.371 0.000 0.977 96 V HN 0.482 nan 8.190 nan 0.000 0.317 97 D N 1.057 121.451 120.400 -0.010 0.000 2.347 97 D HA -0.010 4.630 4.640 -0.000 0.000 0.215 97 D C 2.042 178.367 176.300 0.042 0.000 0.976 97 D CA 1.365 55.368 54.000 0.005 0.000 0.884 97 D CB 0.296 41.101 40.800 0.009 0.000 0.915 97 D HN 0.708 nan 8.370 nan 0.000 0.526 98 S N 1.043 116.788 115.700 0.075 0.000 2.400 98 S HA -0.146 4.324 4.470 -0.000 0.000 0.232 98 S C 2.161 176.820 174.600 0.097 0.000 1.025 98 S CA 0.478 58.736 58.200 0.098 0.000 0.993 98 S CB -0.588 62.698 63.200 0.143 0.000 0.808 98 S HN 0.303 nan 8.310 nan 0.000 0.478 99 I N 1.078 121.715 120.570 0.112 0.000 2.530 99 I HA -0.144 4.026 4.170 -0.000 0.000 0.257 99 I C 1.738 177.880 176.117 0.042 0.000 1.179 99 I CA 0.941 62.296 61.300 0.091 0.000 1.440 99 I CB -0.436 37.620 38.000 0.093 0.000 1.087 99 I HN 0.321 nan 8.210 nan 0.000 0.440 100 I N -0.225 120.375 120.570 0.049 0.000 2.810 100 I HA -0.048 4.122 4.170 -0.000 0.000 0.262 100 I C 2.517 178.663 176.117 0.048 0.000 1.131 100 I CA 0.851 62.176 61.300 0.042 0.000 1.453 100 I CB -1.104 36.928 38.000 0.055 0.000 1.161 100 I HN 0.161 nan 8.210 nan 0.000 0.444 101 R N 1.142 121.676 120.500 0.057 0.000 2.081 101 R HA -0.195 4.145 4.340 -0.000 0.000 0.235 101 R C 1.846 178.189 176.300 0.071 0.000 1.131 101 R CA 1.848 57.989 56.100 0.069 0.000 0.960 101 R CB 0.032 30.368 30.300 0.060 0.000 0.856 101 R HN 0.242 nan 8.270 nan 0.000 0.436 102 D N 0.335 120.768 120.400 0.056 0.000 2.084 102 D HA -0.168 4.472 4.640 -0.000 0.000 0.196 102 D C 1.790 178.107 176.300 0.029 0.000 0.985 102 D CA 0.850 54.877 54.000 0.045 0.000 0.826 102 D CB -0.307 40.516 40.800 0.038 0.000 0.978 102 D HN 0.097 nan 8.370 nan 0.000 0.456 103 L N 0.883 122.112 121.223 0.010 0.000 2.043 103 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 103 L C 2.034 178.904 176.870 -0.000 0.000 1.075 103 L CA 1.945 56.777 54.840 -0.013 0.000 0.752 103 L CB -1.177 40.859 42.059 -0.038 0.000 0.891 103 L HN -0.008 nan 8.230 nan 0.000 0.432 104 T N -0.744 113.820 114.554 0.018 0.000 2.833 104 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 104 T C 1.388 176.075 174.700 -0.022 0.000 1.054 104 T CA 1.408 63.510 62.100 0.004 0.000 1.135 104 T CB -0.411 68.492 68.868 0.058 0.000 0.869 104 T HN 0.418 nan 8.240 nan 0.000 0.466 105 D N 1.443 121.871 120.400 0.048 0.000 2.078 105 D HA -0.090 4.550 4.640 -0.000 0.000 0.193 105 D C 2.492 178.801 176.300 0.014 0.000 0.990 105 D CA 1.708 55.750 54.000 0.070 0.000 0.827 105 D CB -0.360 40.493 40.800 0.089 0.000 0.975 105 D HN 0.450 nan 8.370 nan 0.000 0.451 106 S N 0.456 116.164 115.700 0.014 0.000 2.383 106 S HA -0.140 4.330 4.470 -0.000 0.000 0.229 106 S C 2.107 176.704 174.600 -0.005 0.000 1.030 106 S CA 1.154 59.360 58.200 0.010 0.000 1.002 106 S CB -0.562 62.647 63.200 0.016 0.000 0.829 106 S HN 0.251 nan 8.310 nan 0.000 0.467 107 A N 1.079 123.887 122.820 -0.021 0.000 2.178 107 A HA 0.412 4.732 4.320 -0.000 0.000 0.218 107 A C 2.057 179.602 177.584 -0.065 0.000 1.157 107 A CA 1.445 53.463 52.037 -0.032 0.000 0.689 107 A CB -1.322 17.657 19.000 -0.036 0.000 0.787 107 A HN 1.536 nan 8.150 nan 0.000 0.465 108 G N -2.663 106.081 108.800 -0.094 0.000 2.490 108 G HA2 0.295 4.255 3.960 -0.000 0.000 0.214 108 G HA3 0.295 4.255 3.960 -0.000 0.000 0.214 108 G C 1.290 176.010 174.900 -0.301 0.000 1.151 108 G CA 0.526 45.553 45.100 -0.122 0.000 0.684 108 G HN 2.471 nan 8.290 nan 0.000 0.518 245 I N 0.440 120.999 120.570 -0.018 0.000 2.252 245 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 245 I C 1.552 177.680 176.117 0.019 0.000 1.102 245 I CA 1.180 62.485 61.300 0.008 0.000 1.385 245 I CB -0.061 37.956 38.000 0.028 0.000 1.064 245 I HN 0.615 nan 8.210 nan 0.000 0.414 246 D N 1.134 121.544 120.400 0.015 0.000 2.362 246 D HA -0.181 4.459 4.640 -0.000 0.000 0.215 246 D C 1.798 178.111 176.300 0.022 0.000 0.978 246 D CA 1.363 55.375 54.000 0.019 0.000 0.921 246 D CB -0.005 40.803 40.800 0.013 0.000 0.895 246 D HN 0.472 nan 8.370 nan 0.000 0.494 247 A N -0.482 122.348 122.820 0.018 0.000 1.970 247 A HA 0.088 4.408 4.320 -0.000 0.000 0.204 247 A C 2.316 179.918 177.584 0.029 0.000 1.325 247 A CA 0.144 52.194 52.037 0.021 0.000 0.767 247 A CB -0.220 18.786 19.000 0.011 0.000 0.949 247 A HN 0.078 nan 8.150 nan 0.000 0.481 248 V N 0.880 120.807 119.914 0.021 0.000 2.231 248 V HA -0.349 3.771 4.120 -0.000 0.000 0.250 248 V C 2.411 178.534 176.094 0.049 0.000 1.058 248 V CA 2.635 64.951 62.300 0.025 0.000 1.022 248 V CB -1.051 30.782 31.823 0.016 0.000 0.640 248 V HN 0.618 nan 8.190 nan 0.000 0.445 249 E N -0.533 119.704 120.200 0.063 0.000 2.017 249 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 249 E C 2.467 179.143 176.600 0.128 0.000 0.997 249 E CA 1.336 57.795 56.400 0.099 0.000 0.804 249 E CB -0.233 29.529 29.700 0.103 0.000 0.757 249 E HN 0.535 nan 8.360 nan 0.000 0.448 250 Q N 0.452 120.310 119.800 0.097 0.000 2.096 250 Q HA -0.159 4.181 4.340 -0.000 0.000 0.208 250 Q C 0.902 176.949 176.000 0.078 0.000 0.993 250 Q CA 1.362 57.212 55.803 0.078 0.000 0.862 250 Q CB -0.264 28.499 28.738 0.042 0.000 0.915 250 Q HN 0.398 nan 8.270 nan 0.000 0.416 251 N N -1.246 117.497 118.700 0.072 0.000 2.635 251 N HA 0.174 4.914 4.740 -0.000 0.000 0.252 251 N C -0.544 175.006 175.510 0.068 0.000 1.589 251 N CA 0.224 53.318 53.050 0.074 0.000 0.828 251 N CB -0.008 38.519 38.487 0.067 0.000 1.403 251 N HN 0.017 nan 8.380 nan 0.000 0.518 252 G N 0.382 109.219 108.800 0.061 0.000 2.462 252 G HA2 0.732 4.692 3.960 -0.000 0.000 0.319 252 G HA3 0.732 4.692 3.960 -0.000 0.000 0.319 252 G C -0.468 174.448 174.900 0.027 0.000 1.171 252 G CA -0.664 44.461 45.100 0.041 0.000 0.920 252 G HN 0.301 nan 8.290 nan 0.000 0.499 253 I N -0.198 120.391 120.570 0.031 0.000 2.608 253 I HA 0.449 4.619 4.170 -0.000 0.000 0.295 253 I C -0.760 175.248 176.117 -0.181 0.000 1.049 253 I CA -1.042 60.270 61.300 0.021 0.000 1.063 253 I CB 2.533 40.683 38.000 0.250 0.000 1.248 253 I HN 0.101 nan 8.210 nan 0.000 0.424 254 V N 5.066 124.771 119.914 -0.347 0.000 2.588 254 V HA 0.418 4.538 4.120 -0.000 0.000 0.304 254 V C -1.304 174.640 176.094 -0.250 0.000 1.042 254 V CA -0.615 61.385 62.300 -0.499 0.000 0.877 254 V CB 2.315 33.578 31.823 -0.933 0.000 0.996 254 V HN 0.459 nan 8.190 nan 0.000 0.425 255 F N 5.763 125.494 119.950 -0.365 0.000 2.449 255 F HA 0.637 5.164 4.527 -0.000 0.000 0.342 255 F C -0.203 175.565 175.800 -0.054 0.000 1.127 255 F CA -0.664 57.264 58.000 -0.120 0.000 0.975 255 F CB 1.281 40.261 39.000 -0.032 0.000 1.146 255 F HN 0.336 nan 8.300 nan 0.000 0.444 256 I N 5.613 125.917 120.570 -0.442 0.000 2.361 256 I HA 0.138 4.308 4.170 -0.000 0.000 0.282 256 I C -0.335 175.569 176.117 -0.355 0.000 1.075 256 I CA -0.493 60.672 61.300 -0.225 0.000 1.205 256 I CB 0.331 38.288 38.000 -0.071 0.000 1.406 256 I HN 0.496 nan 8.210 nan 0.000 0.481 257 D N 5.463 125.759 120.400 -0.173 0.000 2.357 257 D HA 0.024 4.664 4.640 -0.000 0.000 0.242 257 D C 0.681 176.958 176.300 -0.039 0.000 1.153 257 D CA 0.590 54.559 54.000 -0.052 0.000 0.918 257 D CB 0.746 41.656 40.800 0.184 0.000 1.181 257 D HN 0.375 nan 8.370 nan 0.000 0.435 258 E N 1.094 121.271 120.200 -0.037 0.000 2.539 258 E HA -0.254 4.096 4.350 -0.000 0.000 0.253 258 E C 1.145 177.674 176.600 -0.118 0.000 1.145 258 E CA 0.182 56.536 56.400 -0.078 0.000 0.738 258 E CB -1.491 28.184 29.700 -0.041 0.000 1.308 258 E HN 0.602 nan 8.360 nan 0.000 0.409 259 I N 1.071 121.566 120.570 -0.124 0.000 2.493 259 I HA -0.218 3.952 4.170 -0.000 0.000 0.254 259 I C 2.092 178.086 176.117 -0.205 0.000 1.160 259 I CA 1.729 62.974 61.300 -0.092 0.000 1.445 259 I CB -0.013 37.981 38.000 -0.010 0.000 1.086 259 I HN 0.144 nan 8.210 nan 0.000 0.433 260 D N 0.514 120.579 120.400 -0.558 0.000 2.309 260 D HA -0.229 4.411 4.640 -0.000 0.000 0.212 260 D C 1.535 177.562 176.300 -0.455 0.000 0.968 260 D CA 0.795 54.145 54.000 -1.083 0.000 0.882 260 D CB -0.296 39.301 40.800 -2.004 0.000 0.918 260 D HN 0.234 nan 8.370 nan 0.000 0.503 261 K N 0.657 120.894 120.400 -0.271 0.000 2.459 261 K HA 0.112 4.432 4.320 -0.000 0.000 0.193 261 K C 1.381 177.936 176.600 -0.076 0.000 1.030 261 K CA 0.062 56.264 56.287 -0.143 0.000 1.026 261 K CB 0.360 32.797 32.500 -0.103 0.000 0.809 261 K HN 0.520 nan 8.250 nan 0.000 0.504 262 I N -2.258 118.277 120.570 -0.059 0.000 3.137 262 I HA 0.266 4.436 4.170 -0.000 0.000 0.343 262 I C -0.015 176.098 176.117 -0.007 0.000 1.394 262 I CA -0.587 60.704 61.300 -0.016 0.000 0.952 262 I CB -0.188 37.819 38.000 0.010 0.000 1.921 262 I HN -0.233 nan 8.210 nan 0.000 0.530 263 C N 1.171 120.465 119.300 -0.011 0.000 4.212 263 C HA 0.676 5.136 4.460 -0.000 0.000 0.235 263 C C 0.193 175.188 174.990 0.009 0.000 3.607 263 C CA -0.312 58.713 59.018 0.012 0.000 1.820 263 C CB 1.296 29.059 27.740 0.037 0.000 4.340 263 C HN 0.513 nan 8.230 nan 0.000 0.498 273 V N 0.256 120.171 119.914 0.002 0.000 3.541 273 V HA 0.155 4.275 4.120 -0.000 0.000 0.267 273 V C 2.058 178.155 176.094 0.005 0.000 1.213 273 V CA 1.542 63.844 62.300 0.002 0.000 1.149 273 V CB -0.202 31.622 31.823 0.001 0.000 0.822 273 V HN 0.232 nan 8.190 nan 0.000 0.462 274 S N 1.039 116.744 115.700 0.008 0.000 2.398 274 S HA 0.043 4.513 4.470 -0.000 0.000 0.220 274 S C 2.072 176.684 174.600 0.020 0.000 1.046 274 S CA 0.420 58.630 58.200 0.015 0.000 0.953 274 S CB -0.461 62.750 63.200 0.018 0.000 0.856 274 S HN 0.479 nan 8.310 nan 0.000 0.506 275 R N 1.497 122.007 120.500 0.017 0.000 2.117 275 R HA -0.009 4.331 4.340 -0.000 0.000 0.243 275 R C 1.964 178.271 176.300 0.012 0.000 1.143 275 R CA 1.590 57.701 56.100 0.018 0.000 0.968 275 R CB -0.310 29.995 30.300 0.008 0.000 0.863 275 R HN 0.595 nan 8.270 nan 0.000 0.444 276 E N -0.104 120.100 120.200 0.007 0.000 2.359 276 E HA 0.001 4.351 4.350 -0.000 0.000 0.187 276 E C 1.102 177.700 176.600 -0.004 0.000 1.081 276 E CA -0.035 56.366 56.400 0.002 0.000 0.929 276 E CB 0.306 30.007 29.700 0.002 0.000 1.086 276 E HN 0.430 nan 8.360 nan 0.000 0.462 277 G N -0.345 108.453 108.800 -0.002 0.000 2.798 277 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.200 277 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.200 277 G C 1.454 176.340 174.900 -0.025 0.000 1.092 277 G CA 0.434 45.528 45.100 -0.010 0.000 0.800 277 G HN 0.256 nan 8.290 nan 0.000 0.566 278 V N -0.531 119.373 119.914 -0.016 0.000 2.594 278 V HA -0.221 3.899 4.120 -0.000 0.000 0.253 278 V C 2.445 178.495 176.094 -0.074 0.000 1.069 278 V CA 2.070 64.339 62.300 -0.052 0.000 1.082 278 V CB -0.879 30.943 31.823 -0.001 0.000 0.680 278 V HN 0.334 nan 8.190 nan 0.000 0.469 279 Q N 0.607 120.381 119.800 -0.043 0.000 2.014 279 Q HA -0.207 4.133 4.340 -0.000 0.000 0.207 279 Q C 2.543 178.500 176.000 -0.070 0.000 0.993 279 Q CA 2.032 57.807 55.803 -0.048 0.000 0.850 279 Q CB -0.479 28.243 28.738 -0.026 0.000 0.916 279 Q HN 0.584 nan 8.270 nan 0.000 0.417 280 R N 0.996 121.461 120.500 -0.058 0.000 2.103 280 R HA -0.132 4.208 4.340 -0.000 0.000 0.242 280 R C 1.727 177.977 176.300 -0.083 0.000 1.142 280 R CA 1.163 57.225 56.100 -0.063 0.000 0.960 280 R CB -0.717 29.556 30.300 -0.046 0.000 0.858 280 R HN 0.417 nan 8.270 nan 0.000 0.439 281 D N 0.761 121.103 120.400 -0.096 0.000 2.178 281 D HA -0.079 4.561 4.640 -0.000 0.000 0.201 281 D C 1.998 178.200 176.300 -0.164 0.000 0.980 281 D CA 0.813 54.734 54.000 -0.130 0.000 0.842 281 D CB 0.112 40.813 40.800 -0.164 0.000 0.948 281 D HN 0.196 nan 8.370 nan 0.000 0.472 282 L N 0.256 121.378 121.223 -0.169 0.000 2.240 282 L HA -0.047 4.293 4.340 -0.000 0.000 0.211 282 L C 2.509 179.267 176.870 -0.186 0.000 1.106 282 L CA 0.052 54.784 54.840 -0.179 0.000 0.793 282 L CB -0.165 41.799 42.059 -0.159 0.000 0.927 282 L HN 0.029 nan 8.230 nan 0.000 0.446 283 L N 0.147 121.277 121.223 -0.154 0.000 1.976 283 L HA -0.248 4.092 4.340 -0.000 0.000 0.223 283 L C -0.082 176.690 176.870 -0.164 0.000 1.081 283 L CA 2.009 56.756 54.840 -0.155 0.000 0.784 283 L CB -2.141 39.851 42.059 -0.111 0.000 0.896 283 L HN 0.210 nan 8.230 nan 0.000 0.438 284 P HA -0.257 nan 4.420 nan 0.000 0.218 284 P C 1.761 178.979 177.300 -0.136 0.000 1.165 284 P CA 1.490 64.526 63.100 -0.108 0.000 0.922 284 P CB -0.064 31.587 31.700 -0.080 0.000 0.794 285 L N -1.032 120.106 121.223 -0.142 0.000 1.991 285 L HA -0.223 4.117 4.340 -0.000 0.000 0.221 285 L C 2.465 179.113 176.870 -0.370 0.000 1.079 285 L CA 2.036 56.791 54.840 -0.142 0.000 0.778 285 L CB -1.360 40.647 42.059 -0.087 0.000 0.893 285 L HN -0.136 nan 8.230 nan 0.000 0.437 286 V N -1.153 118.421 119.914 -0.567 0.000 2.302 286 V HA -0.223 3.897 4.120 -0.000 0.000 0.243 286 V C 2.276 178.153 176.094 -0.361 0.000 1.036 286 V CA 1.641 63.510 62.300 -0.719 0.000 1.020 286 V CB -0.475 30.978 31.823 -0.616 0.000 0.657 286 V HN 0.528 nan 8.190 nan 0.000 0.453 287 E N 0.222 120.275 120.200 -0.245 0.000 2.515 287 E HA 0.096 4.446 4.350 -0.000 0.000 0.201 287 E C 0.703 177.221 176.600 -0.136 0.000 1.071 287 E CA 0.521 56.823 56.400 -0.162 0.000 0.880 287 E CB -0.260 29.363 29.700 -0.128 0.000 0.828 287 E HN 0.631 nan 8.360 nan 0.000 0.540 288 G N 0.707 109.424 108.800 -0.138 0.000 3.055 288 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.654 288 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.654 288 G C -0.665 174.190 174.900 -0.075 0.000 1.134 288 G CA 0.080 45.116 45.100 -0.108 0.000 1.049 288 G HN 0.216 nan 8.290 nan 0.000 0.458 289 S N 0.602 116.271 115.700 -0.051 0.000 2.564 289 S HA 0.883 5.353 4.470 -0.000 0.000 0.274 289 S C 0.063 174.659 174.600 -0.006 0.000 1.124 289 S CA 0.265 58.447 58.200 -0.031 0.000 0.869 289 S CB 1.985 65.162 63.200 -0.038 0.000 1.105 289 S HN 1.105 nan 8.310 nan 0.000 0.472 290 T N 2.542 117.095 114.554 -0.001 0.000 2.795 290 T HA 0.630 4.980 4.350 -0.000 0.000 0.282 290 T C -0.431 174.276 174.700 0.012 0.000 0.980 290 T CA -0.449 61.658 62.100 0.012 0.000 1.012 290 T CB 1.037 69.912 68.868 0.012 0.000 0.936 290 T HN 1.104 nan 8.240 nan 0.000 0.457 291 V N 1.174 121.102 119.914 0.022 0.000 2.760 291 V HA 0.808 4.928 4.120 -0.000 0.000 0.309 291 V C -0.167 175.944 176.094 0.028 0.000 1.077 291 V CA -0.832 61.481 62.300 0.022 0.000 0.910 291 V CB 2.096 33.933 31.823 0.024 0.000 1.008 291 V HN 0.807 nan 8.190 nan 0.000 0.424 292 S N 3.642 119.356 115.700 0.022 0.000 2.548 292 S HA 0.691 5.161 4.470 -0.000 0.000 0.277 292 S C -0.012 174.605 174.600 0.028 0.000 1.315 292 S CA 0.564 58.778 58.200 0.023 0.000 1.050 292 S CB 0.537 63.746 63.200 0.013 0.000 0.918 292 S HN 1.860 nan 8.310 nan 0.000 0.497 293 T N 1.783 116.357 114.554 0.033 0.000 2.868 293 T HA 0.389 4.739 4.350 -0.000 0.000 0.306 293 T C 0.664 175.364 174.700 0.000 0.000 1.224 293 T CA -0.738 61.384 62.100 0.037 0.000 1.012 293 T CB 1.116 70.036 68.868 0.088 0.000 1.221 293 T HN 0.729 nan 8.240 nan 0.000 0.499 294 K N 0.942 121.301 120.400 -0.069 0.000 2.520 294 K HA -0.078 4.242 4.320 -0.000 0.000 0.197 294 K C 0.901 177.321 176.600 -0.300 0.000 1.043 294 K CA 1.278 57.451 56.287 -0.190 0.000 0.944 294 K CB -0.279 32.064 32.500 -0.262 0.000 0.770 294 K HN 0.608 nan 8.250 nan 0.000 0.480 295 H N -0.168 118.909 119.070 0.013 0.000 2.740 295 H HA 0.263 4.819 4.556 0.000 0.000 0.265 295 H C 0.971 176.307 175.328 0.013 0.000 0.978 295 H CA 0.759 56.815 56.048 0.013 0.000 1.198 295 H CB 1.365 31.135 29.762 0.014 0.000 1.467 295 H HN 0.462 nan 8.280 nan 0.000 0.511 296 G N 0.482 109.344 108.800 0.102 0.000 2.357 296 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.289 296 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.289 296 G C -1.133 173.802 174.900 0.058 0.000 1.302 296 G CA -0.898 44.242 45.100 0.067 0.000 0.936 296 G HN -0.083 nan 8.290 nan 0.000 0.513 297 M N 0.671 120.298 119.600 0.044 0.000 2.180 297 M HA 0.558 5.038 4.480 -0.000 0.000 0.358 297 M C -0.072 176.255 176.300 0.044 0.000 1.233 297 M CA -0.465 54.858 55.300 0.038 0.000 1.114 297 M CB 0.703 33.320 32.600 0.028 0.000 1.594 297 M HN 0.440 nan 8.290 nan 0.000 0.467 298 V N 4.806 124.748 119.914 0.046 0.000 2.531 298 V HA 0.464 4.584 4.120 -0.000 0.000 0.301 298 V C -0.201 175.923 176.094 0.049 0.000 1.034 298 V CA -1.104 61.226 62.300 0.051 0.000 0.865 298 V CB 2.053 33.909 31.823 0.055 0.000 0.995 298 V HN 0.793 nan 8.190 nan 0.000 0.424 299 K N 0.915 121.346 120.400 0.053 0.000 2.182 299 K HA 0.515 4.835 4.320 -0.000 0.000 0.262 299 K C 0.463 177.096 176.600 0.055 0.000 0.957 299 K CA -0.409 55.905 56.287 0.045 0.000 0.842 299 K CB 1.723 34.246 32.500 0.039 0.000 1.099 299 K HN 0.658 nan 8.250 nan 0.000 0.438 300 T N -1.459 113.125 114.554 0.051 0.000 3.380 300 T HA 0.029 4.379 4.350 -0.000 0.000 0.250 300 T C 0.214 174.931 174.700 0.027 0.000 1.082 300 T CA 0.160 62.316 62.100 0.094 0.000 0.968 300 T CB -0.349 68.594 68.868 0.125 0.000 1.027 300 T HN 0.543 nan 8.240 nan 0.000 0.575 301 D N 1.550 121.909 120.400 -0.068 0.000 2.144 301 D HA -0.093 4.547 4.640 -0.000 0.000 0.199 301 D C 1.331 177.385 176.300 -0.409 0.000 0.984 301 D CA 1.092 54.925 54.000 -0.278 0.000 0.834 301 D CB -0.016 40.554 40.800 -0.384 0.000 0.955 301 D HN 0.566 nan 8.370 nan 0.000 0.465 302 H N -0.867 118.259 119.070 0.093 0.000 2.512 302 H HA 0.308 4.864 4.556 -0.000 0.000 0.276 302 H C 0.126 175.524 175.328 0.117 0.000 1.126 302 H CA -0.336 55.768 56.048 0.093 0.000 1.060 302 H CB 0.443 30.255 29.762 0.083 0.000 1.646 302 H HN 0.135 nan 8.280 nan 0.000 0.571 303 I N 1.837 122.545 120.570 0.231 0.000 2.519 303 I HA -0.026 4.144 4.170 -0.000 0.000 0.287 303 I C 0.055 176.332 176.117 0.267 0.000 1.047 303 I CA -0.660 60.762 61.300 0.203 0.000 1.381 303 I CB 1.238 39.349 38.000 0.184 0.000 1.417 303 I HN -0.031 nan 8.210 nan 0.000 0.540 304 L N 7.312 128.615 121.223 0.134 0.000 2.276 304 L HA 0.413 4.753 4.340 -0.000 0.000 0.286 304 L C -1.230 175.680 176.870 0.066 0.000 1.061 304 L CA 0.371 55.312 54.840 0.169 0.000 0.807 304 L CB 0.411 42.546 42.059 0.127 0.000 1.177 304 L HN 0.203 nan 8.230 nan 0.000 0.429 305 F N 6.143 126.130 119.950 0.062 0.000 2.402 305 F HA 0.543 5.070 4.527 -0.000 0.000 0.355 305 F C -0.029 175.802 175.800 0.052 0.000 1.123 305 F CA -0.468 57.557 58.000 0.042 0.000 1.021 305 F CB 1.157 40.157 39.000 0.001 0.000 1.160 305 F HN 0.266 nan 8.300 nan 0.000 0.451 306 I N 3.382 124.049 120.570 0.162 0.000 2.433 306 I HA 0.745 4.915 4.170 -0.000 0.000 0.292 306 I C -0.372 175.670 176.117 -0.126 0.000 1.001 306 I CA -0.903 60.484 61.300 0.146 0.000 1.119 306 I CB 1.727 39.943 38.000 0.359 0.000 1.289 306 I HN 0.606 nan 8.210 nan 0.000 0.438 307 A N 4.339 127.080 122.820 -0.131 0.000 2.386 307 A HA 0.809 5.129 4.320 -0.000 0.000 0.311 307 A C -0.218 177.259 177.584 -0.179 0.000 1.068 307 A CA -0.482 51.391 52.037 -0.273 0.000 0.743 307 A CB 1.692 20.656 19.000 -0.060 0.000 1.258 307 A HN 0.768 nan 8.150 nan 0.000 0.429 308 S N 0.911 116.458 115.700 -0.256 0.000 2.768 308 S HA 0.980 5.450 4.470 -0.000 0.000 0.300 308 S C 0.126 174.783 174.600 0.095 0.000 1.122 308 S CA -0.161 58.060 58.200 0.034 0.000 0.995 308 S CB 1.700 65.002 63.200 0.171 0.000 1.195 308 S HN 2.476 nan 8.310 nan 0.000 0.547 309 G N -1.618 107.271 108.800 0.149 0.000 2.361 309 G HA2 0.593 4.553 3.960 -0.000 0.000 0.299 309 G HA3 0.593 4.553 3.960 -0.000 0.000 0.299 309 G C -0.098 174.892 174.900 0.151 0.000 1.544 309 G CA -0.118 44.977 45.100 -0.009 0.000 0.860 309 G HN 1.218 nan 8.290 nan 0.000 0.610 310 A N -0.225 122.603 122.820 0.013 0.000 1.993 310 A HA 0.605 4.925 4.320 -0.000 0.000 0.207 310 A C 1.108 178.827 177.584 0.225 0.000 1.224 310 A CA 0.995 53.097 52.037 0.110 0.000 0.749 310 A CB -0.406 18.616 19.000 0.036 0.000 0.884 310 A HN 1.623 nan 8.150 nan 0.000 0.467 311 F N 0.292 120.252 119.950 0.017 0.000 3.048 311 F HA -0.355 4.172 4.527 -0.000 0.000 0.269 311 F C 1.692 177.499 175.800 0.011 0.000 0.960 311 F CA 1.068 59.076 58.000 0.012 0.000 0.909 311 F CB -2.142 36.865 39.000 0.011 0.000 0.837 311 F HN 0.590 nan 8.300 nan 0.000 0.768 312 Q N -0.569 119.300 119.800 0.116 0.000 2.016 312 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 312 Q C 2.154 178.197 176.000 0.072 0.000 0.978 312 Q CA 2.064 57.915 55.803 0.081 0.000 0.833 312 Q CB -0.602 28.162 28.738 0.043 0.000 0.895 312 Q HN 0.571 nan 8.270 nan 0.000 0.427 313 V N -0.815 119.131 119.914 0.053 0.000 2.331 313 V HA 0.241 4.361 4.120 -0.000 0.000 0.242 313 V C 1.215 177.353 176.094 0.074 0.000 1.034 313 V CA 0.501 62.828 62.300 0.045 0.000 1.027 313 V CB -0.892 30.942 31.823 0.018 0.000 0.667 313 V HN 0.338 nan 8.190 nan 0.000 0.457 314 A N 0.830 123.713 122.820 0.106 0.000 2.304 314 A HA 0.772 5.092 4.320 -0.000 0.000 0.301 314 A C 0.054 177.844 177.584 0.343 0.000 1.132 314 A CA -0.524 51.621 52.037 0.179 0.000 0.819 314 A CB 0.991 20.083 19.000 0.153 0.000 1.094 314 A HN 0.551 nan 8.150 nan 0.000 0.492 315 R N 1.072 121.711 120.500 0.232 0.000 2.691 315 R HA 0.551 4.891 4.340 -0.000 0.000 0.259 315 R C -2.336 173.949 176.300 -0.024 0.000 1.048 315 R CA -1.636 54.513 56.100 0.082 0.000 1.086 315 R CB 0.745 31.049 30.300 0.007 0.000 1.166 315 R HN 0.364 nan 8.270 nan 0.000 0.526 316 P HA 0.070 nan 4.420 nan 0.000 0.233 316 P C -0.033 177.190 177.300 -0.128 0.000 1.167 316 P CA 0.852 63.676 63.100 -0.459 0.000 0.770 316 P CB 0.380 31.692 31.700 -0.646 0.000 0.837 317 S N -0.537 115.110 115.700 -0.088 0.000 2.547 317 S HA -0.085 4.385 4.470 -0.000 0.000 0.235 317 S C 1.209 175.810 174.600 0.002 0.000 0.980 317 S CA 0.960 59.137 58.200 -0.039 0.000 0.941 317 S CB -0.599 62.581 63.200 -0.034 0.000 0.763 317 S HN 0.264 nan 8.310 nan 0.000 0.532 318 D N 0.926 121.350 120.400 0.040 0.000 2.350 318 D HA 0.200 4.840 4.640 -0.000 0.000 0.213 318 D C 0.559 176.897 176.300 0.063 0.000 1.031 318 D CA 0.074 54.110 54.000 0.060 0.000 0.861 318 D CB 0.071 40.925 40.800 0.091 0.000 0.926 318 D HN 0.349 nan 8.370 nan 0.000 0.520 319 L N 1.464 122.729 121.223 0.071 0.000 2.476 319 L HA 0.145 4.485 4.340 -0.000 0.000 0.264 319 L C 1.052 177.934 176.870 0.020 0.000 1.224 319 L CA -0.510 54.366 54.840 0.059 0.000 0.821 319 L CB 0.523 42.619 42.059 0.063 0.000 1.101 319 L HN -0.008 nan 8.230 nan 0.000 0.488 320 I N -1.023 119.552 120.570 0.008 0.000 2.648 320 I HA 0.114 4.284 4.170 -0.000 0.000 0.284 320 I C -1.780 174.327 176.117 -0.015 0.000 1.153 320 I CA -1.535 59.761 61.300 -0.006 0.000 1.426 320 I CB 0.346 38.337 38.000 -0.015 0.000 1.381 320 I HN 0.412 nan 8.210 nan 0.000 0.571 321 P HA -0.208 nan 4.420 nan 0.000 0.218 321 P C 0.981 178.263 177.300 -0.030 0.000 1.150 321 P CA 1.571 64.657 63.100 -0.022 0.000 0.841 321 P CB 0.147 31.835 31.700 -0.020 0.000 0.784 322 E N -1.749 118.430 120.200 -0.035 0.000 2.268 322 E HA -0.104 4.246 4.350 -0.000 0.000 0.195 322 E C 1.659 178.226 176.600 -0.055 0.000 0.995 322 E CA 0.643 57.016 56.400 -0.046 0.000 0.836 322 E CB -0.743 28.926 29.700 -0.051 0.000 0.763 322 E HN 0.155 nan 8.360 nan 0.000 0.491 323 L N 0.039 121.233 121.223 -0.049 0.000 2.221 323 L HA 0.044 4.384 4.340 -0.000 0.000 0.202 323 L C 2.203 179.048 176.870 -0.041 0.000 1.074 323 L CA 1.422 56.230 54.840 -0.053 0.000 0.795 323 L CB -0.622 41.412 42.059 -0.041 0.000 0.960 323 L HN 0.069 nan 8.230 nan 0.000 0.458 324 Q N -0.649 119.133 119.800 -0.032 0.000 2.152 324 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 324 Q C 1.843 177.821 176.000 -0.036 0.000 0.985 324 Q CA 1.880 57.663 55.803 -0.034 0.000 0.863 324 Q CB -0.396 28.323 28.738 -0.032 0.000 0.904 324 Q HN 0.556 nan 8.270 nan 0.000 0.422 325 G N -0.415 108.362 108.800 -0.038 0.000 2.598 325 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.215 325 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.215 325 G C 1.105 175.980 174.900 -0.042 0.000 1.131 325 G CA 0.035 45.112 45.100 -0.037 0.000 0.785 325 G HN 0.130 nan 8.290 nan 0.000 0.539 326 R N -0.326 120.143 120.500 -0.051 0.000 2.509 326 R HA 0.339 4.679 4.340 -0.000 0.000 0.300 326 R C -0.042 176.232 176.300 -0.043 0.000 0.985 326 R CA -0.090 55.973 56.100 -0.062 0.000 1.092 326 R CB 0.269 30.505 30.300 -0.107 0.000 1.237 326 R HN 0.293 nan 8.270 nan 0.000 0.546 327 L N 1.090 122.297 121.223 -0.026 0.000 2.678 327 L HA 0.294 4.634 4.340 -0.000 0.000 0.250 327 L C -1.908 174.956 176.870 -0.010 0.000 1.455 327 L CA -1.460 53.377 54.840 -0.006 0.000 0.823 327 L CB 1.734 43.789 42.059 -0.007 0.000 1.107 327 L HN -0.185 nan 8.230 nan 0.000 0.514 328 P HA -0.147 nan 4.420 nan 0.000 0.210 328 P C 0.661 177.960 177.300 -0.002 0.000 1.185 328 P CA 1.106 64.203 63.100 -0.005 0.000 0.924 328 P CB 0.312 32.014 31.700 0.004 0.000 0.786 329 I N 0.859 121.437 120.570 0.013 0.000 2.587 329 I HA -0.015 4.155 4.170 -0.000 0.000 0.284 329 I C 0.724 176.848 176.117 0.012 0.000 1.134 329 I CA 0.510 61.821 61.300 0.018 0.000 1.410 329 I CB -0.039 37.983 38.000 0.036 0.000 1.392 329 I HN -0.050 nan 8.210 nan 0.000 0.545 330 R N 6.665 127.165 120.500 -0.001 0.000 2.435 330 R HA 0.504 4.844 4.340 -0.000 0.000 0.308 330 R C -0.730 175.570 176.300 -0.000 0.000 0.975 330 R CA -0.699 55.394 56.100 -0.012 0.000 0.867 330 R CB 1.789 32.057 30.300 -0.053 0.000 1.171 330 R HN 0.511 nan 8.270 nan 0.000 0.470 331 V N -0.858 119.069 119.914 0.022 0.000 3.096 331 V HA 0.557 4.677 4.120 -0.000 0.000 0.319 331 V C -0.070 176.042 176.094 0.031 0.000 1.082 331 V CA -0.790 61.527 62.300 0.029 0.000 1.022 331 V CB 1.921 33.772 31.823 0.047 0.000 1.103 331 V HN 0.718 nan 8.190 nan 0.000 0.455 332 E N 1.391 121.611 120.200 0.032 0.000 2.460 332 E HA 0.453 4.803 4.350 -0.000 0.000 0.249 332 E C -1.489 175.137 176.600 0.044 0.000 0.962 332 E CA -0.573 55.849 56.400 0.037 0.000 0.787 332 E CB 1.719 31.432 29.700 0.021 0.000 1.341 332 E HN 0.605 nan 8.360 nan 0.000 0.407 333 L N 1.538 122.798 121.223 0.061 0.000 2.452 333 L HA 0.195 4.535 4.340 -0.000 0.000 0.267 333 L C 0.834 177.734 176.870 0.049 0.000 1.188 333 L CA 0.663 55.537 54.840 0.057 0.000 0.821 333 L CB 0.873 42.976 42.059 0.073 0.000 1.102 333 L HN 0.329 nan 8.230 nan 0.000 0.470 334 T N 1.331 115.907 114.554 0.037 0.000 2.945 334 T HA 0.755 5.105 4.350 -0.000 0.000 0.286 334 T C 0.030 174.747 174.700 0.028 0.000 1.025 334 T CA -0.434 61.684 62.100 0.030 0.000 1.039 334 T CB 1.059 69.937 68.868 0.017 0.000 1.068 334 T HN 0.761 nan 8.240 nan 0.000 0.497 335 A N 2.765 125.601 122.820 0.026 0.000 2.409 335 A HA 0.531 4.851 4.320 -0.000 0.000 0.246 335 A C -0.466 177.114 177.584 -0.006 0.000 1.099 335 A CA -0.242 51.808 52.037 0.021 0.000 0.789 335 A CB -0.139 18.874 19.000 0.022 0.000 1.053 335 A HN 0.636 nan 8.150 nan 0.000 0.503 336 L N 0.614 121.814 121.223 -0.038 0.000 2.334 336 L HA 0.530 4.870 4.340 -0.000 0.000 0.275 336 L C 0.869 177.607 176.870 -0.220 0.000 1.036 336 L CA 0.364 55.108 54.840 -0.159 0.000 0.807 336 L CB 1.562 43.499 42.059 -0.202 0.000 1.231 336 L HN 0.894 nan 8.230 nan 0.000 0.438 337 S N 0.763 116.293 115.700 -0.282 0.000 2.704 337 S HA 0.744 5.214 4.470 -0.000 0.000 0.305 337 S C 0.979 175.295 174.600 -0.472 0.000 1.107 337 S CA -0.141 57.926 58.200 -0.222 0.000 0.993 337 S CB 1.366 64.444 63.200 -0.203 0.000 1.110 337 S HN 0.691 nan 8.310 nan 0.000 0.534 338 A N 1.281 123.782 122.820 -0.533 0.000 1.873 338 A HA 0.073 4.393 4.320 -0.000 0.000 0.218 338 A C 2.368 179.864 177.584 -0.147 0.000 1.193 338 A CA 2.181 54.053 52.037 -0.274 0.000 0.629 338 A CB -1.794 16.963 19.000 -0.406 0.000 0.826 338 A HN 1.487 nan 8.150 nan 0.000 0.447 339 A N -0.551 122.154 122.820 -0.192 0.000 2.024 339 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 339 A C 1.749 179.283 177.584 -0.082 0.000 1.164 339 A CA 2.083 54.054 52.037 -0.110 0.000 0.643 339 A CB -0.574 18.358 19.000 -0.114 0.000 0.806 339 A HN 0.498 nan 8.150 nan 0.000 0.451 340 D N -0.909 119.406 120.400 -0.142 0.000 2.091 340 D HA -0.058 4.582 4.640 -0.000 0.000 0.199 340 D C 1.603 177.905 176.300 0.003 0.000 0.980 340 D CA 0.902 54.837 54.000 -0.109 0.000 0.831 340 D CB -0.413 40.270 40.800 -0.195 0.000 0.987 340 D HN 0.341 nan 8.370 nan 0.000 0.460 341 F N 1.847 121.803 119.950 0.010 0.000 2.043 341 F HA -0.182 4.345 4.527 -0.000 0.000 0.297 341 F C 2.381 178.159 175.800 -0.037 0.000 1.118 341 F CA 0.994 58.991 58.000 -0.005 0.000 1.202 341 F CB -1.129 37.881 39.000 0.016 0.000 0.965 341 F HN 0.060 nan 8.300 nan 0.000 0.482 342 E N -0.175 120.122 120.200 0.163 0.000 2.136 342 E HA -0.308 4.042 4.350 -0.000 0.000 0.208 342 E C 2.332 178.950 176.600 0.031 0.000 1.035 342 E CA 2.044 58.478 56.400 0.058 0.000 0.838 342 E CB -0.280 29.435 29.700 0.026 0.000 0.748 342 E HN 0.444 nan 8.360 nan 0.000 0.459 343 R N 0.056 120.576 120.500 0.034 0.000 2.073 343 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 343 R C 2.524 178.838 176.300 0.022 0.000 1.134 343 R CA 1.184 57.295 56.100 0.018 0.000 0.952 343 R CB -0.393 29.912 30.300 0.008 0.000 0.850 343 R HN 0.254 nan 8.270 nan 0.000 0.433 344 I N 0.825 121.426 120.570 0.053 0.000 2.286 344 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 344 I C 2.097 178.214 176.117 -0.001 0.000 1.115 344 I CA 0.660 61.988 61.300 0.046 0.000 1.392 344 I CB -0.203 37.859 38.000 0.103 0.000 1.065 344 I HN 0.091 nan 8.210 nan 0.000 0.418 345 L N 0.567 121.780 121.223 -0.017 0.000 2.187 345 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 345 L C 2.287 179.096 176.870 -0.101 0.000 1.100 345 L CA 2.446 57.228 54.840 -0.096 0.000 0.765 345 L CB -1.023 40.970 42.059 -0.109 0.000 0.904 345 L HN 0.486 nan 8.230 nan 0.000 0.437 346 T N -7.340 107.185 114.554 -0.048 0.000 3.177 346 T HA 0.086 4.436 4.350 -0.000 0.000 0.262 346 T C 1.500 176.198 174.700 -0.003 0.000 0.959 346 T CA -0.086 61.997 62.100 -0.028 0.000 0.996 346 T CB -0.036 68.823 68.868 -0.014 0.000 1.185 346 T HN 0.146 nan 8.240 nan 0.000 0.486 347 E N 2.368 122.567 120.200 -0.001 0.000 2.023 347 E HA -0.009 4.341 4.350 -0.000 0.000 0.196 347 E C -1.359 175.242 176.600 0.003 0.000 1.003 347 E CA 0.960 57.361 56.400 0.002 0.000 0.809 347 E CB -1.606 28.091 29.700 -0.004 0.000 0.755 347 E HN 0.440 nan 8.360 nan 0.000 0.449 348 P HA -0.078 nan 4.420 nan 0.000 0.273 348 P C -0.511 176.808 177.300 0.031 0.000 1.252 348 P CA 0.595 63.673 63.100 -0.036 0.000 0.809 348 P CB 0.243 31.937 31.700 -0.011 0.000 1.017 349 H N 0.050 118.982 119.070 -0.230 0.000 2.690 349 H HA 0.359 4.915 4.556 -0.000 0.000 0.314 349 H C 0.511 175.803 175.328 -0.061 0.000 1.069 349 H CA -0.120 55.809 56.048 -0.200 0.000 1.436 349 H CB 0.181 29.706 29.762 -0.396 0.000 1.462 349 H HN 0.587 nan 8.280 nan 0.000 0.511 350 A N 3.181 126.038 122.820 0.062 0.000 2.578 350 A HA -0.202 4.118 4.320 -0.000 0.000 0.298 350 A C 0.854 178.477 177.584 0.064 0.000 1.472 350 A CA 0.574 52.645 52.037 0.058 0.000 0.734 350 A CB -1.951 17.096 19.000 0.079 0.000 1.091 350 A HN 0.730 nan 8.150 nan 0.000 0.426 351 S N -0.000 115.725 115.700 0.042 0.000 2.614 351 S HA 0.605 5.075 4.470 -0.000 0.000 0.265 351 S C 1.462 176.071 174.600 0.014 0.000 1.303 351 S CA -0.216 57.995 58.200 0.017 0.000 1.000 351 S CB 0.786 63.981 63.200 -0.009 0.000 0.935 351 S HN 0.884 nan 8.310 nan 0.000 0.551 352 L N 1.413 122.617 121.223 -0.031 0.000 1.991 352 L HA -0.233 4.107 4.340 -0.000 0.000 0.221 352 L C 3.165 180.063 176.870 0.047 0.000 1.079 352 L CA 2.407 57.242 54.840 -0.008 0.000 0.778 352 L CB -1.727 40.234 42.059 -0.163 0.000 0.893 352 L HN 1.068 nan 8.230 nan 0.000 0.437 353 T N -3.318 111.162 114.554 -0.123 0.000 2.684 353 T HA -0.263 4.087 4.350 -0.000 0.000 0.267 353 T C 1.600 176.385 174.700 0.142 0.000 1.036 353 T CA 1.559 63.575 62.100 -0.140 0.000 1.148 353 T CB -0.547 68.104 68.868 -0.362 0.000 0.863 353 T HN 0.376 nan 8.240 nan 0.000 0.436 354 E N 1.023 121.270 120.200 0.079 0.000 2.130 354 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 354 E C 2.577 179.237 176.600 0.100 0.000 0.998 354 E CA 1.513 57.967 56.400 0.090 0.000 0.806 354 E CB -0.170 29.558 29.700 0.047 0.000 0.738 354 E HN 0.682 nan 8.360 nan 0.000 0.459 355 Q N -0.558 119.306 119.800 0.105 0.000 1.969 355 Q HA -0.141 4.199 4.340 -0.000 0.000 0.198 355 Q C 1.959 177.986 176.000 0.046 0.000 0.978 355 Q CA 1.182 57.022 55.803 0.061 0.000 0.830 355 Q CB -0.162 28.604 28.738 0.047 0.000 0.896 355 Q HN 0.314 nan 8.270 nan 0.000 0.431 356 Y N 1.282 121.642 120.300 0.101 0.000 2.151 356 Y HA -0.304 4.246 4.550 0.000 0.000 0.284 356 Y C 2.405 178.389 175.900 0.140 0.000 1.166 356 Y CA 1.693 59.874 58.100 0.136 0.000 1.163 356 Y CB -0.169 38.411 38.460 0.200 0.000 0.974 356 Y HN 0.061 nan 8.280 nan 0.000 0.511 357 K N -0.100 120.483 120.400 0.304 0.000 2.009 357 K HA -0.240 4.080 4.320 -0.000 0.000 0.210 357 K C 2.312 178.968 176.600 0.094 0.000 1.049 357 K CA 1.470 57.873 56.287 0.194 0.000 0.929 357 K CB -0.408 32.217 32.500 0.208 0.000 0.714 357 K HN 0.266 nan 8.250 nan 0.000 0.440 358 A N 0.911 123.771 122.820 0.067 0.000 1.972 358 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 358 A C 1.979 179.564 177.584 0.002 0.000 1.169 358 A CA 1.054 53.106 52.037 0.025 0.000 0.635 358 A CB -0.389 18.619 19.000 0.013 0.000 0.810 358 A HN 0.245 nan 8.150 nan 0.000 0.446 359 L N -0.993 120.219 121.223 -0.018 0.000 2.007 359 L HA -0.090 4.250 4.340 -0.000 0.000 0.205 359 L C 2.598 179.459 176.870 -0.015 0.000 1.073 359 L CA 1.627 56.438 54.840 -0.048 0.000 0.744 359 L CB -1.291 40.685 42.059 -0.137 0.000 0.898 359 L HN 0.323 nan 8.230 nan 0.000 0.435 360 M N -0.272 119.338 119.600 0.017 0.000 2.260 360 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 360 M C 2.242 178.550 176.300 0.014 0.000 1.066 360 M CA 1.545 56.864 55.300 0.031 0.000 1.082 360 M CB -1.734 30.904 32.600 0.063 0.000 1.388 360 M HN 0.268 nan 8.290 nan 0.000 0.419 361 A N -0.437 122.391 122.820 0.013 0.000 2.225 361 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 361 A C 2.224 179.806 177.584 -0.003 0.000 1.164 361 A CA 1.722 53.762 52.037 0.005 0.000 0.710 361 A CB -0.909 18.095 19.000 0.008 0.000 0.780 361 A HN 0.518 nan 8.150 nan 0.000 0.473 362 T N -0.213 114.337 114.554 -0.006 0.000 2.937 362 T HA -0.040 4.310 4.350 -0.000 0.000 0.260 362 T C 1.538 176.230 174.700 -0.013 0.000 1.051 362 T CA 1.067 63.160 62.100 -0.012 0.000 1.141 362 T CB -0.099 68.759 68.868 -0.016 0.000 0.879 362 T HN 0.503 nan 8.240 nan 0.000 0.459 363 E N 0.820 121.013 120.200 -0.012 0.000 2.418 363 E HA 0.100 4.450 4.350 -0.000 0.000 0.197 363 E C 1.436 178.026 176.600 -0.015 0.000 1.026 363 E CA 0.505 56.895 56.400 -0.017 0.000 0.862 363 E CB -0.139 29.551 29.700 -0.017 0.000 0.799 363 E HN 0.611 nan 8.360 nan 0.000 0.518 364 G N 0.689 109.482 108.800 -0.011 0.000 2.167 364 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.194 364 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.194 364 G C 0.005 174.899 174.900 -0.010 0.000 1.027 364 G CA 0.163 45.257 45.100 -0.011 0.000 0.717 364 G HN 0.117 nan 8.290 nan 0.000 0.501 365 V N 0.476 120.387 119.914 -0.006 0.000 2.815 365 V HA 0.744 4.864 4.120 -0.000 0.000 0.314 365 V C -0.064 176.027 176.094 -0.004 0.000 1.064 365 V CA -1.147 61.150 62.300 -0.005 0.000 0.952 365 V CB 2.074 33.898 31.823 0.003 0.000 1.020 365 V HN 0.383 nan 8.190 nan 0.000 0.439 366 N N 3.352 122.045 118.700 -0.011 0.000 2.491 366 N HA 0.412 5.152 4.740 -0.000 0.000 0.274 366 N C -1.359 174.131 175.510 -0.034 0.000 1.023 366 N CA -0.289 52.752 53.050 -0.015 0.000 0.902 366 N CB 1.735 40.213 38.487 -0.015 0.000 1.267 366 N HN 0.811 nan 8.380 nan 0.000 0.503 367 I N 2.206 122.748 120.570 -0.046 0.000 2.607 367 I HA 0.723 4.893 4.170 -0.000 0.000 0.305 367 I C -0.983 175.043 176.117 -0.151 0.000 0.995 367 I CA -0.677 60.551 61.300 -0.120 0.000 1.148 367 I CB 1.647 39.553 38.000 -0.157 0.000 1.323 367 I HN 0.594 nan 8.210 nan 0.000 0.461 368 A N 6.768 129.452 122.820 -0.227 0.000 2.385 368 A HA 0.579 4.899 4.320 -0.000 0.000 0.290 368 A C -1.410 176.032 177.584 -0.236 0.000 1.094 368 A CA -0.397 51.549 52.037 -0.152 0.000 0.729 368 A CB 0.522 19.485 19.000 -0.062 0.000 1.194 368 A HN 0.624 nan 8.150 nan 0.000 0.442 369 F N 1.890 121.865 119.950 0.040 0.000 2.427 369 F HA 0.440 4.967 4.527 -0.000 0.000 0.352 369 F C 1.491 177.308 175.800 0.028 0.000 1.100 369 F CA 0.528 58.549 58.000 0.034 0.000 1.191 369 F CB 1.831 40.843 39.000 0.021 0.000 1.128 369 F HN 0.558 nan 8.300 nan 0.000 0.533 370 T N 0.152 114.829 114.554 0.204 0.000 2.799 370 T HA 0.182 4.532 4.350 -0.000 0.000 0.286 370 T C 1.113 175.886 174.700 0.121 0.000 0.973 370 T CA -0.610 61.565 62.100 0.126 0.000 1.035 370 T CB 1.393 70.313 68.868 0.086 0.000 0.932 370 T HN 0.676 nan 8.240 nan 0.000 0.469 371 T N 3.309 117.914 114.554 0.084 0.000 2.567 371 T HA -0.261 4.089 4.350 -0.000 0.000 0.261 371 T C 1.643 176.375 174.700 0.054 0.000 1.123 371 T CA 2.490 64.626 62.100 0.059 0.000 1.166 371 T CB -0.732 68.160 68.868 0.040 0.000 0.860 371 T HN 0.950 nan 8.240 nan 0.000 0.436 372 D N 1.742 122.172 120.400 0.050 0.000 2.203 372 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 372 D C 2.149 178.482 176.300 0.054 0.000 0.997 372 D CA 1.434 55.461 54.000 0.044 0.000 0.863 372 D CB -0.560 40.264 40.800 0.040 0.000 0.928 372 D HN 0.554 nan 8.370 nan 0.000 0.458 373 A N 1.243 124.112 122.820 0.082 0.000 1.840 373 A HA -0.023 4.297 4.320 -0.000 0.000 0.214 373 A C 2.717 180.341 177.584 0.065 0.000 1.198 373 A CA 1.340 53.437 52.037 0.100 0.000 0.608 373 A CB -0.902 18.207 19.000 0.182 0.000 0.839 373 A HN 0.142 nan 8.150 nan 0.000 0.443 374 V N 0.707 120.658 119.914 0.063 0.000 2.250 374 V HA -0.391 3.729 4.120 -0.000 0.000 0.253 374 V C 2.582 178.674 176.094 -0.003 0.000 1.065 374 V CA 2.744 65.037 62.300 -0.012 0.000 1.039 374 V CB -0.818 30.998 31.823 -0.012 0.000 0.647 374 V HN 0.737 nan 8.190 nan 0.000 0.446 375 K N -0.123 120.287 120.400 0.016 0.000 2.059 375 K HA -0.279 4.041 4.320 -0.000 0.000 0.212 375 K C 2.269 178.880 176.600 0.019 0.000 1.050 375 K CA 2.073 58.370 56.287 0.016 0.000 0.927 375 K CB -0.214 32.294 32.500 0.014 0.000 0.714 375 K HN 0.393 nan 8.250 nan 0.000 0.447 376 K N 0.283 120.694 120.400 0.019 0.000 2.057 376 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 376 K C 2.154 178.757 176.600 0.005 0.000 1.050 376 K CA 1.553 57.850 56.287 0.017 0.000 0.935 376 K CB -0.137 32.375 32.500 0.020 0.000 0.715 376 K HN 0.201 nan 8.250 nan 0.000 0.439 377 I N 1.007 121.564 120.570 -0.022 0.000 2.151 377 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 377 I C 2.500 178.590 176.117 -0.046 0.000 1.080 377 I CA 1.432 62.691 61.300 -0.067 0.000 1.339 377 I CB -0.483 37.440 38.000 -0.130 0.000 1.039 377 I HN 0.195 nan 8.210 nan 0.000 0.409 378 A N 0.300 123.123 122.820 0.005 0.000 1.858 378 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 378 A C 2.185 179.897 177.584 0.214 0.000 1.190 378 A CA 2.012 54.124 52.037 0.126 0.000 0.617 378 A CB -0.700 18.400 19.000 0.167 0.000 0.827 378 A HN 0.381 nan 8.150 nan 0.000 0.443 379 E N -0.278 119.998 120.200 0.126 0.000 2.130 379 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 379 E C 2.148 178.851 176.600 0.171 0.000 0.998 379 E CA 1.318 57.796 56.400 0.130 0.000 0.806 379 E CB -0.328 29.407 29.700 0.059 0.000 0.738 379 E HN 0.596 nan 8.360 nan 0.000 0.459 380 A N 0.893 123.770 122.820 0.095 0.000 1.835 380 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 380 A C 2.396 180.021 177.584 0.067 0.000 1.199 380 A CA 2.103 54.174 52.037 0.056 0.000 0.615 380 A CB -1.279 17.716 19.000 -0.008 0.000 0.838 380 A HN 0.351 nan 8.150 nan 0.000 0.444 381 A N -1.011 121.811 122.820 0.003 0.000 1.859 381 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 381 A C 2.104 179.780 177.584 0.154 0.000 1.209 381 A CA 2.066 54.046 52.037 -0.094 0.000 0.639 381 A CB -1.179 17.488 19.000 -0.554 0.000 0.835 381 A HN 0.837 nan 8.150 nan 0.000 0.450 382 F N 0.396 120.556 119.950 0.351 0.000 2.111 382 F HA -0.300 4.227 4.527 0.000 0.000 0.300 382 F C 2.301 178.200 175.800 0.166 0.000 1.088 382 F CA 2.507 60.745 58.000 0.396 0.000 1.243 382 F CB -0.195 38.970 39.000 0.276 0.000 0.996 382 F HN 0.217 nan 8.300 nan 0.000 0.483 383 R N 0.466 121.154 120.500 0.313 0.000 2.177 383 R HA -0.195 4.145 4.340 -0.000 0.000 0.221 383 R C 2.414 178.731 176.300 0.029 0.000 1.110 383 R CA 2.114 58.316 56.100 0.169 0.000 0.875 383 R CB -1.489 28.894 30.300 0.138 0.000 0.810 383 R HN 0.304 nan 8.270 nan 0.000 0.437 384 V N 1.604 121.531 119.914 0.022 0.000 2.357 384 V HA -0.357 3.763 4.120 -0.000 0.000 0.257 384 V C 1.780 177.850 176.094 -0.039 0.000 1.082 384 V CA 2.616 64.909 62.300 -0.010 0.000 1.078 384 V CB -0.650 31.164 31.823 -0.014 0.000 0.663 384 V HN 0.468 nan 8.190 nan 0.000 0.455 385 N N -0.014 118.650 118.700 -0.060 0.000 2.069 385 N HA -0.209 4.531 4.740 -0.000 0.000 0.191 385 N C 1.863 177.292 175.510 -0.135 0.000 1.031 385 N CA 2.098 55.096 53.050 -0.086 0.000 0.852 385 N CB -0.363 38.077 38.487 -0.078 0.000 1.018 385 N HN 0.851 nan 8.380 nan 0.000 0.423 386 E N 0.930 120.998 120.200 -0.219 0.000 2.006 386 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 386 E C 1.419 177.972 176.600 -0.079 0.000 0.993 386 E CA 0.937 57.221 56.400 -0.194 0.000 0.808 386 E CB 0.091 29.653 29.700 -0.229 0.000 0.764 386 E HN 0.030 nan 8.360 nan 0.000 0.449 387 K N 0.135 120.509 120.400 -0.044 0.000 2.211 387 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 387 K C 1.916 178.509 176.600 -0.011 0.000 1.047 387 K CA 1.686 57.966 56.287 -0.013 0.000 0.935 387 K CB -0.225 32.278 32.500 0.004 0.000 0.728 387 K HN 0.493 nan 8.250 nan 0.000 0.452 388 T N -2.598 111.944 114.554 -0.020 0.000 1.850 388 T HA 0.175 4.525 4.350 -0.000 0.000 0.176 388 T C -0.364 174.326 174.700 -0.016 0.000 0.702 388 T CA -0.566 61.527 62.100 -0.011 0.000 1.184 388 T CB 0.376 69.239 68.868 -0.008 0.000 3.221 388 T HN -0.141 nan 8.240 nan 0.000 0.405 389 E N 2.246 122.437 120.200 -0.015 0.000 2.073 389 E HA 0.349 4.699 4.350 -0.000 0.000 0.269 389 E C -0.798 175.791 176.600 -0.019 0.000 0.917 389 E CA -0.549 55.843 56.400 -0.014 0.000 0.757 389 E CB 0.398 30.094 29.700 -0.007 0.000 1.111 389 E HN 0.461 nan 8.360 nan 0.000 0.410 390 N N 5.081 123.766 118.700 -0.025 0.000 2.416 390 N HA -0.013 4.727 4.740 -0.000 0.000 0.271 390 N C 0.374 175.885 175.510 0.002 0.000 1.245 390 N CA 0.176 53.211 53.050 -0.025 0.000 0.940 390 N CB 0.289 38.752 38.487 -0.041 0.000 1.175 390 N HN 0.684 nan 8.380 nan 0.000 0.483 391 I N 1.050 121.629 120.570 0.015 0.000 3.884 391 I HA 0.380 4.550 4.170 -0.000 0.000 0.330 391 I C 1.029 177.183 176.117 0.060 0.000 1.451 391 I CA -0.426 60.892 61.300 0.029 0.000 1.165 391 I CB -0.156 37.856 38.000 0.019 0.000 1.097 391 I HN 0.499 nan 8.210 nan 0.000 0.404 392 G N 2.306 111.158 108.800 0.087 0.000 2.514 392 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.265 392 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.265 392 G C 0.650 175.693 174.900 0.238 0.000 1.150 392 G CA 0.394 45.582 45.100 0.146 0.000 0.959 392 G HN 0.718 nan 8.290 nan 0.000 0.556 393 A N -0.911 122.045 122.820 0.227 0.000 2.267 393 A HA 0.412 4.732 4.320 -0.000 0.000 0.213 393 A C 2.167 179.793 177.584 0.069 0.000 1.192 393 A CA 1.475 53.640 52.037 0.214 0.000 0.851 393 A CB -0.127 19.036 19.000 0.273 0.000 0.881 393 A HN 0.487 nan 8.150 nan 0.000 0.494 394 R N 0.449 121.021 120.500 0.121 0.000 2.152 394 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 394 R C 1.993 178.351 176.300 0.097 0.000 1.117 394 R CA 1.247 57.465 56.100 0.197 0.000 0.981 394 R CB -0.454 29.904 30.300 0.098 0.000 0.870 394 R HN 0.500 nan 8.270 nan 0.000 0.451 395 R N 0.832 121.313 120.500 -0.033 0.000 2.170 395 R HA -0.065 4.275 4.340 -0.000 0.000 0.242 395 R C 2.040 178.206 176.300 -0.225 0.000 1.145 395 R CA 1.211 57.238 56.100 -0.122 0.000 0.984 395 R CB -0.624 29.579 30.300 -0.161 0.000 0.869 395 R HN 0.256 nan 8.270 nan 0.000 0.455 396 L N -0.802 120.219 121.223 -0.338 0.000 2.093 396 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 396 L C 2.005 178.693 176.870 -0.303 0.000 1.085 396 L CA 1.117 55.708 54.840 -0.415 0.000 0.755 396 L CB -0.669 41.093 42.059 -0.494 0.000 0.904 396 L HN 0.373 nan 8.230 nan 0.000 0.435 397 H N -0.668 118.329 119.070 -0.121 0.000 2.543 397 H HA -0.071 4.485 4.556 0.000 0.000 0.286 397 H C 1.944 177.233 175.328 -0.064 0.000 1.037 397 H CA 1.393 57.405 56.048 -0.060 0.000 1.250 397 H CB 0.022 29.772 29.762 -0.020 0.000 1.373 397 H HN 0.368 nan 8.280 nan 0.000 0.580 398 T N -0.043 114.508 114.554 -0.005 0.000 3.065 398 T HA -0.033 4.317 4.350 -0.000 0.000 0.234 398 T C 2.406 177.055 174.700 -0.085 0.000 1.017 398 T CA 0.716 62.798 62.100 -0.031 0.000 1.292 398 T CB -0.500 68.343 68.868 -0.042 0.000 1.005 398 T HN 0.016 nan 8.240 nan 0.000 0.423 399 V N 1.848 121.689 119.914 -0.121 0.000 2.363 399 V HA -0.266 3.854 4.120 -0.000 0.000 0.254 399 V C 2.541 178.528 176.094 -0.179 0.000 1.074 399 V CA 1.812 64.027 62.300 -0.140 0.000 1.069 399 V CB -0.723 31.004 31.823 -0.161 0.000 0.659 399 V HN 0.327 nan 8.190 nan 0.000 0.455 400 M N 0.041 119.511 119.600 -0.217 0.000 2.067 400 M HA -0.123 4.357 4.480 -0.000 0.000 0.260 400 M C 2.060 178.156 176.300 -0.340 0.000 1.069 400 M CA 2.087 57.199 55.300 -0.313 0.000 1.117 400 M CB -0.701 31.695 32.600 -0.339 0.000 1.334 400 M HN 0.361 nan 8.290 nan 0.000 0.407 401 E N -0.427 119.658 120.200 -0.191 0.000 2.208 401 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 401 E C 2.055 178.611 176.600 -0.074 0.000 0.988 401 E CA 1.120 57.463 56.400 -0.096 0.000 0.828 401 E CB -0.301 29.427 29.700 0.047 0.000 0.763 401 E HN 0.490 nan 8.360 nan 0.000 0.478 402 R N -0.240 120.209 120.500 -0.085 0.000 2.280 402 R HA -0.036 4.304 4.340 -0.000 0.000 0.207 402 R C 1.824 178.068 176.300 -0.094 0.000 1.043 402 R CA 0.980 57.039 56.100 -0.069 0.000 1.006 402 R CB -0.082 30.180 30.300 -0.063 0.000 0.885 402 R HN 0.335 nan 8.270 nan 0.000 0.467 403 L N -0.834 120.302 121.223 -0.145 0.000 2.269 403 L HA 0.195 4.535 4.340 -0.000 0.000 0.200 403 L C 1.442 178.199 176.870 -0.188 0.000 1.069 403 L CA 1.142 55.866 54.840 -0.194 0.000 0.804 403 L CB -0.110 41.811 42.059 -0.230 0.000 0.987 403 L HN 0.029 nan 8.230 nan 0.000 0.468 404 M N 0.366 119.859 119.600 -0.179 0.000 2.659 404 M HA -0.048 4.432 4.480 -0.000 0.000 0.243 404 M C 1.319 177.656 176.300 0.060 0.000 1.111 404 M CA 0.526 55.782 55.300 -0.074 0.000 1.070 404 M CB -1.334 31.151 32.600 -0.191 0.000 1.525 404 M HN 0.433 nan 8.290 nan 0.000 0.517 405 D N 1.545 121.964 120.400 0.031 0.000 2.182 405 D HA -0.222 4.418 4.640 -0.000 0.000 0.193 405 D C 1.576 177.950 176.300 0.123 0.000 0.999 405 D CA 1.735 55.778 54.000 0.071 0.000 0.850 405 D CB 0.299 41.112 40.800 0.021 0.000 0.994 405 D HN 0.130 nan 8.370 nan 0.000 0.450 406 K N 0.505 120.972 120.400 0.112 0.000 2.030 406 K HA -0.168 4.152 4.320 -0.000 0.000 0.222 406 K C 2.216 178.943 176.600 0.211 0.000 1.056 406 K CA 1.230 57.616 56.287 0.165 0.000 0.957 406 K CB -0.685 31.918 32.500 0.173 0.000 0.727 406 K HN 0.342 nan 8.250 nan 0.000 0.452 407 I N -0.157 120.534 120.570 0.202 0.000 2.226 407 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 407 I C 2.368 178.592 176.117 0.178 0.000 1.100 407 I CA 1.198 62.608 61.300 0.182 0.000 1.374 407 I CB -0.431 37.679 38.000 0.184 0.000 1.057 407 I HN 0.190 nan 8.210 nan 0.000 0.413 408 S N 0.416 116.242 115.700 0.210 0.000 2.402 408 S HA -0.229 4.241 4.470 -0.000 0.000 0.233 408 S C 1.824 176.549 174.600 0.209 0.000 1.030 408 S CA 1.566 59.894 58.200 0.213 0.000 1.003 408 S CB -0.295 63.056 63.200 0.252 0.000 0.813 408 S HN 0.418 nan 8.310 nan 0.000 0.477 409 F N 1.871 121.862 119.950 0.069 0.000 2.059 409 F HA 0.119 4.646 4.527 -0.000 0.000 0.289 409 F C 2.425 178.248 175.800 0.039 0.000 1.128 409 F CA 1.699 59.728 58.000 0.048 0.000 1.181 409 F CB -0.802 38.224 39.000 0.044 0.000 1.012 409 F HN 0.091 nan 8.300 nan 0.000 0.473 410 S N 0.911 116.645 115.700 0.057 0.000 2.603 410 S HA 0.051 4.521 4.470 -0.000 0.000 0.229 410 S C 2.012 176.578 174.600 -0.057 0.000 0.972 410 S CA 0.485 58.638 58.200 -0.079 0.000 0.935 410 S CB -0.714 62.536 63.200 0.083 0.000 0.769 410 S HN 0.509 nan 8.310 nan 0.000 0.536 411 A N 1.600 124.412 122.820 -0.014 0.000 2.076 411 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 411 A C 2.231 179.792 177.584 -0.039 0.000 1.160 411 A CA 1.520 53.554 52.037 -0.004 0.000 0.653 411 A CB -0.645 18.374 19.000 0.031 0.000 0.801 411 A HN 0.458 nan 8.150 nan 0.000 0.455 412 S N 0.481 116.131 115.700 -0.083 0.000 2.383 412 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 412 S C 0.625 175.182 174.600 -0.072 0.000 1.026 412 S CA 1.191 59.341 58.200 -0.083 0.000 0.981 412 S CB -0.231 62.896 63.200 -0.123 0.000 0.818 412 S HN 0.664 nan 8.310 nan 0.000 0.472 413 D N 0.640 120.991 120.400 -0.082 0.000 2.538 413 D HA 0.241 4.881 4.640 -0.000 0.000 0.234 413 D C 0.321 176.598 176.300 -0.039 0.000 1.191 413 D CA 0.201 54.165 54.000 -0.061 0.000 0.828 413 D CB -0.027 40.731 40.800 -0.071 0.000 0.981 413 D HN 0.401 nan 8.370 nan 0.000 0.490 414 M N -0.626 118.955 119.600 -0.033 0.000 2.410 414 M HA 0.062 4.542 4.480 -0.000 0.000 0.376 414 M C 0.347 176.635 176.300 -0.021 0.000 1.051 414 M CA -0.534 54.752 55.300 -0.023 0.000 0.949 414 M CB 0.755 33.346 32.600 -0.016 0.000 1.577 414 M HN -0.172 nan 8.290 nan 0.000 0.560 415 N N 1.787 120.474 118.700 -0.022 0.000 2.292 415 N HA -0.029 4.711 4.740 -0.000 0.000 0.258 415 N C 1.064 176.564 175.510 -0.017 0.000 1.261 415 N CA 2.361 55.400 53.050 -0.019 0.000 0.845 415 N CB 0.773 39.248 38.487 -0.020 0.000 1.064 415 N HN 0.602 nan 8.380 nan 0.000 0.471 416 G N 2.718 111.509 108.800 -0.016 0.000 2.345 416 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 416 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 416 G C 0.052 174.942 174.900 -0.017 0.000 1.058 416 G CA 0.175 45.265 45.100 -0.015 0.000 0.632 416 G HN 0.659 nan 8.290 nan 0.000 0.508 417 Q N 0.919 120.707 119.800 -0.019 0.000 2.584 417 Q HA 0.522 4.862 4.340 -0.000 0.000 0.218 417 Q C 0.439 176.425 176.000 -0.024 0.000 1.079 417 Q CA 0.717 56.506 55.803 -0.022 0.000 1.008 417 Q CB 0.600 29.323 28.738 -0.025 0.000 1.267 417 Q HN 0.676 nan 8.270 nan 0.000 0.586 418 T N -2.961 111.575 114.554 -0.030 0.000 2.900 418 T HA 0.657 5.007 4.350 -0.000 0.000 0.295 418 T C -0.849 173.822 174.700 -0.047 0.000 1.044 418 T CA -0.846 61.233 62.100 -0.034 0.000 0.995 418 T CB 1.307 70.156 68.868 -0.032 0.000 1.072 418 T HN 0.302 nan 8.240 nan 0.000 0.473 419 V N 2.659 122.539 119.914 -0.056 0.000 2.604 419 V HA 0.578 4.698 4.120 -0.000 0.000 0.305 419 V C -0.541 175.497 176.094 -0.093 0.000 1.043 419 V CA -1.045 61.211 62.300 -0.073 0.000 0.888 419 V CB 1.927 33.720 31.823 -0.050 0.000 0.995 419 V HN 0.940 nan 8.190 nan 0.000 0.429 420 N N 3.801 122.444 118.700 -0.095 0.000 2.476 420 N HA 0.500 5.240 4.740 -0.000 0.000 0.257 420 N C -0.797 174.698 175.510 -0.025 0.000 0.970 420 N CA -0.293 52.710 53.050 -0.078 0.000 0.938 420 N CB 1.889 40.342 38.487 -0.057 0.000 1.144 420 N HN 0.618 nan 8.380 nan 0.000 0.500 421 I N 3.010 123.568 120.570 -0.021 0.000 2.269 421 I HA 0.073 4.243 4.170 -0.000 0.000 0.293 421 I C 0.331 176.540 176.117 0.154 0.000 1.106 421 I CA -0.590 60.818 61.300 0.179 0.000 1.248 421 I CB 0.132 38.125 38.000 -0.012 0.000 1.444 421 I HN 0.440 nan 8.210 nan 0.000 0.497 422 D N 5.124 125.632 120.400 0.179 0.000 2.595 422 D HA 0.451 5.091 4.640 -0.000 0.000 0.268 422 D C 1.004 177.388 176.300 0.140 0.000 1.181 422 D CA -0.608 53.468 54.000 0.126 0.000 1.085 422 D CB 0.696 41.541 40.800 0.075 0.000 1.186 422 D HN 0.291 nan 8.370 nan 0.000 0.621 423 A N 0.033 122.910 122.820 0.096 0.000 1.835 423 A HA 0.090 4.410 4.320 -0.000 0.000 0.215 423 A C 2.223 179.864 177.584 0.096 0.000 1.199 423 A CA 2.881 54.966 52.037 0.080 0.000 0.615 423 A CB -1.643 17.390 19.000 0.055 0.000 0.838 423 A HN 0.758 nan 8.150 nan 0.000 0.444 424 A N -1.627 121.245 122.820 0.087 0.000 2.009 424 A HA -0.240 4.080 4.320 -0.000 0.000 0.222 424 A C 2.122 179.799 177.584 0.155 0.000 1.175 424 A CA 2.239 54.329 52.037 0.089 0.000 0.651 424 A CB -0.800 18.235 19.000 0.058 0.000 0.815 424 A HN 0.762 nan 8.150 nan 0.000 0.459 425 Y N 0.355 120.661 120.300 0.010 0.000 2.117 425 Y HA -0.099 4.451 4.550 -0.000 0.000 0.277 425 Y C 2.522 178.432 175.900 0.016 0.000 1.104 425 Y CA 1.153 59.259 58.100 0.010 0.000 1.089 425 Y CB -1.048 37.415 38.460 0.005 0.000 0.999 425 Y HN 0.062 nan 8.280 nan 0.000 0.480 426 V N 1.265 121.211 119.914 0.054 0.000 2.236 426 V HA -0.443 3.677 4.120 -0.000 0.000 0.255 426 V C 2.756 178.835 176.094 -0.025 0.000 1.068 426 V CA 2.743 64.997 62.300 -0.077 0.000 1.044 426 V CB -1.836 29.976 31.823 -0.018 0.000 0.653 426 V HN 0.569 nan 8.190 nan 0.000 0.448 427 A N -0.018 122.819 122.820 0.027 0.000 2.042 427 A HA -0.309 4.011 4.320 -0.000 0.000 0.222 427 A C 2.075 179.677 177.584 0.030 0.000 1.167 427 A CA 2.113 54.166 52.037 0.027 0.000 0.649 427 A CB -0.576 18.447 19.000 0.039 0.000 0.809 427 A HN 0.795 nan 8.150 nan 0.000 0.457 428 D N -1.078 119.356 120.400 0.056 0.000 2.360 428 D HA 0.295 4.935 4.640 -0.000 0.000 0.210 428 D C 1.411 177.737 176.300 0.044 0.000 1.047 428 D CA 0.849 54.887 54.000 0.064 0.000 0.854 428 D CB 0.055 40.921 40.800 0.110 0.000 0.936 428 D HN 0.316 nan 8.370 nan 0.000 0.514 429 A N 0.294 123.108 122.820 -0.010 0.000 2.115 429 A HA 0.251 4.571 4.320 -0.000 0.000 0.211 429 A C 1.223 178.779 177.584 -0.048 0.000 1.169 429 A CA -0.047 51.960 52.037 -0.050 0.000 0.787 429 A CB 0.010 18.908 19.000 -0.171 0.000 0.858 429 A HN 0.250 nan 8.150 nan 0.000 0.474 430 L N 0.227 121.426 121.223 -0.040 0.000 2.417 430 L HA 0.416 4.756 4.340 -0.000 0.000 0.258 430 L C 1.605 178.467 176.870 -0.013 0.000 1.088 430 L CA -0.438 54.382 54.840 -0.033 0.000 0.975 430 L CB 0.196 42.231 42.059 -0.040 0.000 1.341 430 L HN 0.329 nan 8.230 nan 0.000 0.431 431 G N 2.840 111.635 108.800 -0.009 0.000 3.665 431 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.251 431 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.251 431 G C 0.845 175.747 174.900 0.002 0.000 0.940 431 G CA 2.071 47.170 45.100 -0.001 0.000 0.741 431 G HN 0.894 nan 8.290 nan 0.000 1.302 432 E N -4.405 115.796 120.200 0.002 0.000 1.448 432 E HA 0.221 4.571 4.350 -0.000 0.000 0.223 432 E C -0.118 176.486 176.600 0.007 0.000 1.059 432 E CA 0.347 56.751 56.400 0.007 0.000 1.247 432 E CB 0.274 29.979 29.700 0.008 0.000 4.496 432 E HN 1.327 nan 8.360 nan 0.000 0.768 433 V N 1.869 121.785 119.914 0.004 0.000 2.915 433 V HA 0.383 4.503 4.120 -0.000 0.000 0.273 433 V C -1.796 174.299 176.094 0.001 0.000 1.538 433 V CA -0.667 61.636 62.300 0.004 0.000 0.946 433 V CB 1.899 33.726 31.823 0.007 0.000 1.183 433 V HN 0.231 nan 8.190 nan 0.000 0.446 434 V N 4.557 124.471 119.914 -0.001 0.000 2.850 434 V HA 0.838 4.958 4.120 -0.000 0.000 0.315 434 V C -0.127 175.966 176.094 -0.002 0.000 1.064 434 V CA -0.705 61.593 62.300 -0.002 0.000 0.979 434 V CB 1.617 33.438 31.823 -0.004 0.000 1.039 434 V HN 1.162 nan 8.190 nan 0.000 0.452 435 E N 1.917 122.115 120.200 -0.003 0.000 7.563 435 E HA -0.219 4.131 4.350 -0.000 0.000 0.460 435 E C 0.828 177.425 176.600 -0.005 0.000 0.344 435 E CA 0.694 57.092 56.400 -0.004 0.000 0.625 435 E CB -0.422 29.277 29.700 -0.002 0.000 0.965 435 E HN 0.803 nan 8.360 nan 0.000 0.289 436 N N 2.121 120.815 118.700 -0.010 0.000 2.322 436 N HA -0.262 4.478 4.740 -0.000 0.000 0.189 436 N C 0.469 175.972 175.510 -0.012 0.000 1.012 436 N CA 1.617 54.659 53.050 -0.013 0.000 0.880 436 N CB 0.013 38.487 38.487 -0.021 0.000 0.967 436 N HN 0.599 nan 8.380 nan 0.000 0.439 437 E N 1.130 121.325 120.200 -0.009 0.000 2.365 437 E HA -0.255 4.095 4.350 -0.000 0.000 0.237 437 E C -1.114 175.481 176.600 -0.007 0.000 1.238 437 E CA 0.659 57.059 56.400 -0.001 0.000 0.718 437 E CB -1.817 27.886 29.700 0.006 0.000 1.218 437 E HN 0.442 nan 8.360 nan 0.000 0.387 438 D N -0.212 120.171 120.400 -0.029 0.000 2.344 438 D HA 0.143 4.783 4.640 -0.000 0.000 0.253 438 D C 0.676 176.935 176.300 -0.068 0.000 1.255 438 D CA -0.248 53.723 54.000 -0.047 0.000 0.894 438 D CB 0.433 41.191 40.800 -0.069 0.000 1.067 438 D HN 0.228 nan 8.370 nan 0.000 0.492 439 L N 3.220 124.431 121.223 -0.021 0.000 2.653 439 L HA 0.233 4.573 4.340 -0.000 0.000 0.231 439 L C 1.356 178.228 176.870 0.004 0.000 1.153 439 L CA 0.540 55.398 54.840 0.031 0.000 0.933 439 L CB -0.131 41.987 42.059 0.099 0.000 1.175 439 L HN 0.331 nan 8.230 nan 0.000 0.473 440 S N -0.871 114.788 115.700 -0.068 0.000 2.425 440 S HA 0.042 4.512 4.470 -0.000 0.000 0.225 440 S C 1.793 176.317 174.600 -0.127 0.000 1.024 440 S CA 0.179 58.345 58.200 -0.057 0.000 0.951 440 S CB -0.165 63.006 63.200 -0.048 0.000 0.796 440 S HN 0.413 nan 8.310 nan 0.000 0.498 441 R N 0.209 120.530 120.500 -0.299 0.000 2.417 441 R HA -0.040 4.300 4.340 -0.000 0.000 0.220 441 R C 0.297 176.361 176.300 -0.394 0.000 1.128 441 R CA 0.834 56.698 56.100 -0.394 0.000 1.048 441 R CB -0.310 29.665 30.300 -0.543 0.000 0.835 441 R HN 0.424 nan 8.270 nan 0.000 0.483 442 F N -0.996 118.954 119.950 -0.000 0.000 2.724 442 F HA 0.288 4.815 4.527 0.000 0.000 0.306 442 F C 1.025 176.825 175.800 0.000 0.000 1.100 442 F CA -0.490 57.510 58.000 -0.000 0.000 1.255 442 F CB 0.289 39.289 39.000 -0.000 0.000 1.072 442 F HN -0.211 nan 8.300 nan 0.000 0.589 443 I N 0.681 121.333 120.570 0.137 0.000 2.566 443 I HA 0.275 4.445 4.170 -0.000 0.000 0.303 443 I C -0.337 175.809 176.117 0.047 0.000 0.983 443 I CA -0.950 60.400 61.300 0.084 0.000 1.235 443 I CB 1.689 39.726 38.000 0.062 0.000 1.386 443 I HN -0.137 nan 8.210 nan 0.000 0.494 444 L N 0.000 121.247 121.223 0.039 0.000 2.949 444 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 444 L CA 0.000 54.855 54.840 0.026 0.000 0.813 444 L CB 0.000 42.075 42.059 0.026 0.000 0.961 444 L HN 0.000 nan 8.230 nan 0.000 0.502