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 2b51_1_A DATA FIRST_RESID 30 DATA SEQUENCE NPSPDHYAVW GKAIMAENNR RVGPEHMFRT AIRAQQQLQG LADKWTPDAK DATA SEQUENCE VYCCGSMVTY GQMERGSDLD LACMFDDPYP SHEVQAKRTD KLRTVIKRYV DATA SEQUENCE PHYLRNNLLG LTEARTPVVK LRFANDEKVA RARYTPLSEE EDRKARTALL DATA SEQUENCE DVRNQCVGDN DVEYIAEKMG RDNVEGIRVD RTTYGCRIAI QCTSKEQMIE DATA SEQUENCE AIGFFPDGKI MTRGMREDYT RDVLDVRFVP EMFMYRWDIS FVGYGVKNSY DATA SEQUENCE LIRHYLHNGP VAARHTAMAV KAWGKATNVG AGSGAMLTSY AVTVMFIYYL DATA SEQUENCE LVTRQVLWVD PWSLPHPAHL PRYPDFSPLY DCDPTELGRL LHGFFIFYAH DATA SEQUENCE HFDYEREVVS LNRNRRSYRS DIGWNFPQNK KGTFSYNFCI EDPYEDVGTG DATA SEQUENCE GLNLVRHLHP AKFQLVKQEF LRAAQCMERF LPTNAPEKSI LGVK 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 30 N HA 0.000 nan 4.740 nan 0.000 0.220 30 N C 0.000 175.507 175.510 -0.004 0.000 1.280 30 N CA 0.000 53.060 53.050 0.017 0.000 0.885 30 N CB 0.000 38.528 38.487 0.068 0.000 1.341 31 P HA 0.296 nan 4.420 nan 0.000 0.265 31 P C 0.581 177.888 177.300 0.011 0.000 1.187 31 P CA 0.013 63.007 63.100 -0.177 0.000 0.766 31 P CB 0.501 31.924 31.700 -0.461 0.000 0.820 32 S N 2.932 118.631 115.700 -0.002 0.000 2.589 32 S HA 0.137 4.606 4.470 -0.002 0.000 0.265 32 S C -1.579 173.148 174.600 0.212 0.000 1.342 32 S CA -0.847 57.410 58.200 0.094 0.000 1.005 32 S CB -0.006 63.233 63.200 0.065 0.000 0.909 32 S HN 0.243 nan 8.310 nan 0.000 0.555 33 P HA -0.102 nan 4.420 nan 0.000 0.216 33 P C 0.703 178.129 177.300 0.210 0.000 1.150 33 P CA 1.324 64.568 63.100 0.241 0.000 0.843 33 P CB -0.089 31.696 31.700 0.142 0.000 0.787 34 D N -2.233 118.250 120.400 0.137 0.000 2.097 34 D HA -0.195 4.443 4.640 -0.002 0.000 0.195 34 D C 1.928 178.285 176.300 0.094 0.000 0.989 34 D CA 1.054 55.115 54.000 0.100 0.000 0.827 34 D CB -0.979 39.863 40.800 0.070 0.000 0.966 34 D HN 0.311 nan 8.370 nan 0.000 0.456 35 H N -0.626 118.425 119.070 -0.032 0.000 2.319 35 H HA -0.189 4.365 4.556 -0.003 0.000 0.297 35 H C 1.832 177.134 175.328 -0.043 0.000 1.097 35 H CA 1.518 57.501 56.048 -0.108 0.000 1.285 35 H CB -0.101 29.497 29.762 -0.272 0.000 1.368 35 H HN 0.236 nan 8.280 nan 0.000 0.495 36 Y N 0.398 120.809 120.300 0.186 0.000 2.224 36 Y HA -0.137 4.412 4.550 -0.003 0.000 0.289 36 Y C 2.946 178.930 175.900 0.140 0.000 1.146 36 Y CA 0.982 59.179 58.100 0.161 0.000 1.182 36 Y CB -0.769 37.758 38.460 0.111 0.000 0.983 36 Y HN 0.298 nan 8.280 nan 0.000 0.524 37 A N -0.231 122.718 122.820 0.215 0.000 1.908 37 A HA -0.161 4.157 4.320 -0.002 0.000 0.218 37 A C 2.407 180.030 177.584 0.065 0.000 1.181 37 A CA 2.047 54.158 52.037 0.124 0.000 0.627 37 A CB -1.203 17.848 19.000 0.084 0.000 0.818 37 A HN 0.252 nan 8.150 nan 0.000 0.445 38 V N -2.328 117.586 119.914 -0.001 0.000 2.343 38 V HA -0.296 3.822 4.120 -0.002 0.000 0.247 38 V C 2.247 178.268 176.094 -0.121 0.000 1.051 38 V CA 1.848 64.082 62.300 -0.110 0.000 1.036 38 V CB -1.144 30.541 31.823 -0.231 0.000 0.654 38 V HN 0.778 nan 8.190 nan 0.000 0.451 39 W N 0.771 122.014 121.300 -0.095 0.000 2.358 39 W HA -0.052 4.606 4.660 -0.002 0.000 0.303 39 W C 2.590 179.112 176.519 0.005 0.000 1.208 39 W CA 1.615 58.943 57.345 -0.027 0.000 1.274 39 W CB -0.943 28.532 29.460 0.024 0.000 1.138 39 W HN 0.287 nan 8.180 nan 0.000 0.515 40 G N 0.147 109.099 108.800 0.255 0.000 2.440 40 G HA2 -0.275 3.683 3.960 -0.002 0.000 0.218 40 G HA3 -0.275 3.683 3.960 -0.002 0.000 0.218 40 G C 1.476 176.398 174.900 0.037 0.000 1.154 40 G CA 1.159 46.340 45.100 0.135 0.000 0.767 40 G HN 0.187 nan 8.290 nan 0.000 0.552 41 K N 0.406 120.813 120.400 0.012 0.000 2.026 41 K HA -0.013 4.306 4.320 -0.002 0.000 0.208 41 K C 2.977 179.552 176.600 -0.042 0.000 1.048 41 K CA 1.096 57.363 56.287 -0.034 0.000 0.929 41 K CB -0.249 32.227 32.500 -0.041 0.000 0.713 41 K HN 0.276 nan 8.250 nan 0.000 0.439 42 A N 1.210 124.005 122.820 -0.042 0.000 1.930 42 A HA -0.134 4.184 4.320 -0.002 0.000 0.217 42 A C 2.086 179.682 177.584 0.021 0.000 1.175 42 A CA 1.223 53.234 52.037 -0.043 0.000 0.627 42 A CB -0.504 18.421 19.000 -0.125 0.000 0.815 42 A HN 0.178 nan 8.150 nan 0.000 0.443 43 I N -1.032 119.584 120.570 0.076 0.000 2.142 43 I HA -0.307 3.861 4.170 -0.002 0.000 0.240 43 I C 2.763 178.887 176.117 0.010 0.000 1.078 43 I CA 1.654 63.007 61.300 0.089 0.000 1.343 43 I CB -0.284 37.787 38.000 0.117 0.000 1.046 43 I HN 0.339 nan 8.210 nan 0.000 0.405 44 M N 0.088 119.630 119.600 -0.097 0.000 2.106 44 M HA -0.286 4.192 4.480 -0.002 0.000 0.259 44 M C 2.449 178.710 176.300 -0.065 0.000 1.068 44 M CA 2.269 57.426 55.300 -0.237 0.000 1.100 44 M CB -0.334 32.063 32.600 -0.339 0.000 1.351 44 M HN 0.392 nan 8.290 nan 0.000 0.404 45 A N -0.510 122.288 122.820 -0.035 0.000 1.898 45 A HA -0.158 4.160 4.320 -0.002 0.000 0.216 45 A C 1.943 179.539 177.584 0.020 0.000 1.181 45 A CA 1.473 53.506 52.037 -0.006 0.000 0.620 45 A CB -0.590 18.400 19.000 -0.017 0.000 0.819 45 A HN 0.388 nan 8.150 nan 0.000 0.442 46 E N 0.713 120.932 120.200 0.032 0.000 2.058 46 E HA -0.169 4.179 4.350 -0.002 0.000 0.194 46 E C 1.839 178.479 176.600 0.067 0.000 0.997 46 E CA 1.277 57.709 56.400 0.053 0.000 0.801 46 E CB -0.439 29.306 29.700 0.075 0.000 0.746 46 E HN 0.584 nan 8.360 nan 0.000 0.450 47 N N 0.944 119.696 118.700 0.087 0.000 2.104 47 N HA -0.149 4.590 4.740 -0.002 0.000 0.190 47 N C 1.572 177.135 175.510 0.088 0.000 1.024 47 N CA 1.157 54.269 53.050 0.103 0.000 0.853 47 N CB -0.688 37.924 38.487 0.208 0.000 1.008 47 N HN 0.255 nan 8.380 nan 0.000 0.424 48 N N 0.372 119.129 118.700 0.096 0.000 2.244 48 N HA -0.004 4.735 4.740 -0.002 0.000 0.183 48 N C 1.719 177.254 175.510 0.042 0.000 1.016 48 N CA 0.599 53.692 53.050 0.071 0.000 0.866 48 N CB 0.073 38.600 38.487 0.066 0.000 0.980 48 N HN 0.230 nan 8.380 nan 0.000 0.430 49 R N 0.378 120.899 120.500 0.034 0.000 2.081 49 R HA -0.033 4.306 4.340 -0.002 0.000 0.235 49 R C 2.224 178.540 176.300 0.026 0.000 1.131 49 R CA 0.993 57.103 56.100 0.017 0.000 0.960 49 R CB -0.127 30.184 30.300 0.018 0.000 0.856 49 R HN 0.214 nan 8.270 nan 0.000 0.436 50 R N 1.144 121.676 120.500 0.054 0.000 2.066 50 R HA -0.050 4.289 4.340 -0.002 0.000 0.232 50 R C 0.626 176.985 176.300 0.099 0.000 1.131 50 R CA 0.978 57.125 56.100 0.078 0.000 0.955 50 R CB -0.128 30.228 30.300 0.092 0.000 0.851 50 R HN 0.101 nan 8.270 nan 0.000 0.432 51 V N 0.075 120.046 119.914 0.094 0.000 2.740 51 V HA 0.414 4.532 4.120 -0.002 0.000 0.303 51 V C 0.539 176.712 176.094 0.132 0.000 1.054 51 V CA -0.369 62.008 62.300 0.128 0.000 1.106 51 V CB 1.018 32.901 31.823 0.101 0.000 0.957 51 V HN 0.259 nan 8.190 nan 0.000 0.486 52 G N 4.371 113.289 108.800 0.196 0.000 2.562 52 G HA2 0.586 4.544 3.960 -0.002 0.000 0.275 52 G HA3 0.586 4.544 3.960 -0.002 0.000 0.275 52 G C -2.226 172.801 174.900 0.211 0.000 1.196 52 G CA -1.149 44.072 45.100 0.202 0.000 0.908 52 G HN 0.818 nan 8.290 nan 0.000 0.524 53 P HA 0.086 nan 4.420 nan 0.000 0.275 53 P C 0.598 177.994 177.300 0.161 0.000 1.270 53 P CA -0.263 62.936 63.100 0.164 0.000 0.791 53 P CB 1.080 32.856 31.700 0.128 0.000 1.089 54 E N -0.505 119.685 120.200 -0.017 0.000 2.160 54 E HA -0.302 4.046 4.350 -0.002 0.000 0.195 54 E C 1.823 178.358 176.600 -0.108 0.000 0.991 54 E CA 1.131 57.270 56.400 -0.435 0.000 0.810 54 E CB -0.348 28.855 29.700 -0.828 0.000 0.742 54 E HN 0.502 nan 8.360 nan 0.000 0.466 55 H N 0.066 119.113 119.070 -0.038 0.000 2.387 55 H HA -0.115 4.439 4.556 -0.002 0.000 0.299 55 H C 2.065 177.462 175.328 0.115 0.000 1.090 55 H CA 2.083 58.151 56.048 0.033 0.000 1.332 55 H CB -0.096 29.698 29.762 0.055 0.000 1.386 55 H HN 0.200 nan 8.280 nan 0.000 0.516 56 M N -1.092 118.621 119.600 0.189 0.000 2.117 56 M HA -0.134 4.345 4.480 -0.002 0.000 0.262 56 M C 1.809 178.209 176.300 0.166 0.000 1.065 56 M CA 1.713 57.144 55.300 0.217 0.000 1.114 56 M CB -0.252 32.556 32.600 0.346 0.000 1.361 56 M HN 0.370 nan 8.290 nan 0.000 0.408 57 F N 1.261 121.244 119.950 0.054 0.000 2.091 57 F HA -0.289 4.237 4.527 -0.002 0.000 0.299 57 F C 2.295 178.059 175.800 -0.059 0.000 1.103 57 F CA 1.787 59.812 58.000 0.042 0.000 1.228 57 F CB -0.282 38.809 39.000 0.153 0.000 0.984 57 F HN 0.105 nan 8.300 nan 0.000 0.477 58 R N 0.055 120.578 120.500 0.038 0.000 2.081 58 R HA -0.131 4.208 4.340 -0.002 0.000 0.235 58 R C 2.289 178.468 176.300 -0.201 0.000 1.131 58 R CA 1.871 57.916 56.100 -0.092 0.000 0.960 58 R CB -2.014 28.229 30.300 -0.096 0.000 0.856 58 R HN 0.503 nan 8.270 nan 0.000 0.436 59 T N -0.949 113.464 114.554 -0.235 0.000 2.833 59 T HA -0.005 4.343 4.350 -0.002 0.000 0.269 59 T C 2.090 176.716 174.700 -0.124 0.000 1.054 59 T CA 1.196 63.218 62.100 -0.131 0.000 1.135 59 T CB -0.178 68.678 68.868 -0.019 0.000 0.869 59 T HN 0.221 nan 8.240 nan 0.000 0.466 60 A N 1.644 124.262 122.820 -0.337 0.000 1.929 60 A HA 0.160 4.479 4.320 -0.002 0.000 0.216 60 A C 2.386 179.708 177.584 -0.435 0.000 1.176 60 A CA 0.949 52.590 52.037 -0.661 0.000 0.628 60 A CB -0.605 17.899 19.000 -0.827 0.000 0.816 60 A HN 0.464 nan 8.150 nan 0.000 0.444 61 I N -0.251 120.088 120.570 -0.386 0.000 2.226 61 I HA -0.186 3.982 4.170 -0.002 0.000 0.245 61 I C 2.511 178.548 176.117 -0.132 0.000 1.100 61 I CA 1.760 62.930 61.300 -0.217 0.000 1.374 61 I CB -1.079 36.801 38.000 -0.200 0.000 1.057 61 I HN 0.352 nan 8.210 nan 0.000 0.413 62 R N 1.535 121.938 120.500 -0.161 0.000 2.092 62 R HA -0.063 4.276 4.340 -0.002 0.000 0.231 62 R C 2.307 178.528 176.300 -0.132 0.000 1.119 62 R CA 1.619 57.641 56.100 -0.131 0.000 0.970 62 R CB -0.505 29.730 30.300 -0.108 0.000 0.864 62 R HN 0.306 nan 8.270 nan 0.000 0.440 63 A N 0.374 123.108 122.820 -0.144 0.000 1.908 63 A HA -0.271 4.047 4.320 -0.002 0.000 0.218 63 A C 2.142 179.578 177.584 -0.246 0.000 1.181 63 A CA 1.758 53.692 52.037 -0.170 0.000 0.627 63 A CB -0.740 18.193 19.000 -0.112 0.000 0.818 63 A HN 0.608 nan 8.150 nan 0.000 0.445 64 Q N -0.720 118.952 119.800 -0.214 0.000 2.084 64 Q HA -0.251 4.087 4.340 -0.002 0.000 0.202 64 Q C 2.220 178.155 176.000 -0.107 0.000 0.978 64 Q CA 1.772 57.453 55.803 -0.203 0.000 0.844 64 Q CB -0.188 28.451 28.738 -0.165 0.000 0.898 64 Q HN 0.800 nan 8.270 nan 0.000 0.426 65 Q N -0.053 119.741 119.800 -0.010 0.000 2.096 65 Q HA -0.231 4.108 4.340 -0.002 0.000 0.204 65 Q C 2.154 178.084 176.000 -0.115 0.000 0.982 65 Q CA 1.780 57.564 55.803 -0.031 0.000 0.850 65 Q CB -0.026 28.650 28.738 -0.104 0.000 0.901 65 Q HN 0.496 nan 8.270 nan 0.000 0.422 66 Q N 0.223 119.927 119.800 -0.160 0.000 2.124 66 Q HA -0.133 4.206 4.340 -0.002 0.000 0.202 66 Q C 2.071 177.935 176.000 -0.226 0.000 0.977 66 Q CA 1.032 56.719 55.803 -0.193 0.000 0.850 66 Q CB -0.024 28.578 28.738 -0.227 0.000 0.901 66 Q HN 0.374 nan 8.270 nan 0.000 0.429 67 L N 0.067 121.119 121.223 -0.285 0.000 2.156 67 L HA -0.195 4.143 4.340 -0.002 0.000 0.208 67 L C 2.511 179.249 176.870 -0.219 0.000 1.095 67 L CA 0.803 55.445 54.840 -0.330 0.000 0.770 67 L CB -0.239 41.496 42.059 -0.540 0.000 0.914 67 L HN 0.240 nan 8.230 nan 0.000 0.439 68 Q N 0.645 120.338 119.800 -0.179 0.000 2.084 68 Q HA -0.152 4.186 4.340 -0.002 0.000 0.202 68 Q C 2.121 178.055 176.000 -0.109 0.000 0.978 68 Q CA 2.050 57.776 55.803 -0.129 0.000 0.844 68 Q CB -0.617 28.066 28.738 -0.092 0.000 0.898 68 Q HN 0.381 nan 8.270 nan 0.000 0.426 69 G N 0.296 109.022 108.800 -0.123 0.000 2.450 69 G HA2 -0.198 3.760 3.960 -0.002 0.000 0.220 69 G HA3 -0.198 3.760 3.960 -0.002 0.000 0.220 69 G C 1.301 176.116 174.900 -0.141 0.000 1.130 69 G CA 0.988 46.013 45.100 -0.125 0.000 0.760 69 G HN 0.387 nan 8.290 nan 0.000 0.557 70 L N 0.312 121.442 121.223 -0.155 0.000 2.095 70 L HA 0.073 4.411 4.340 -0.002 0.000 0.204 70 L C 3.382 180.254 176.870 0.003 0.000 1.080 70 L CA 0.801 55.555 54.840 -0.143 0.000 0.759 70 L CB -0.486 41.494 42.059 -0.132 0.000 0.914 70 L HN 0.281 nan 8.230 nan 0.000 0.439 71 A N 0.160 123.001 122.820 0.036 0.000 1.940 71 A HA -0.255 4.063 4.320 -0.002 0.000 0.219 71 A C 1.858 179.530 177.584 0.146 0.000 1.176 71 A CA 2.050 54.193 52.037 0.177 0.000 0.631 71 A CB -0.551 18.508 19.000 0.098 0.000 0.814 71 A HN 0.351 nan 8.150 nan 0.000 0.446 72 D N -0.162 120.254 120.400 0.026 0.000 2.149 72 D HA -0.141 4.497 4.640 -0.002 0.000 0.198 72 D C 1.869 178.198 176.300 0.047 0.000 0.990 72 D CA 1.453 55.452 54.000 -0.001 0.000 0.839 72 D CB -0.235 40.540 40.800 -0.041 0.000 0.948 72 D HN 0.557 nan 8.370 nan 0.000 0.460 73 K N -0.595 119.849 120.400 0.073 0.000 2.148 73 K HA -0.123 4.195 4.320 -0.002 0.000 0.204 73 K C 1.910 178.645 176.600 0.225 0.000 1.050 73 K CA 0.535 56.888 56.287 0.111 0.000 0.942 73 K CB -0.010 32.539 32.500 0.082 0.000 0.724 73 K HN 0.202 nan 8.250 nan 0.000 0.446 74 W N 1.935 123.269 121.300 0.058 0.000 2.380 74 W HA -0.061 4.598 4.660 -0.002 0.000 0.317 74 W C 0.391 176.965 176.519 0.091 0.000 1.196 74 W CA 1.529 58.926 57.345 0.087 0.000 1.307 74 W CB -0.237 29.294 29.460 0.119 0.000 1.157 74 W HN -0.121 nan 8.180 nan 0.000 0.483 75 T N -0.172 114.369 114.554 -0.021 0.000 3.225 75 T HA 0.210 4.559 4.350 -0.002 0.000 0.356 75 T C -2.338 172.295 174.700 -0.112 0.000 1.460 75 T CA -0.967 61.049 62.100 -0.140 0.000 1.126 75 T CB 1.519 70.206 68.868 -0.301 0.000 1.321 75 T HN -0.188 nan 8.240 nan 0.000 0.478 76 P HA 0.132 nan 4.420 nan 0.000 0.237 76 P C 0.592 177.817 177.300 -0.125 0.000 1.178 76 P CA 0.536 63.582 63.100 -0.090 0.000 0.766 76 P CB 0.178 31.839 31.700 -0.064 0.000 0.876 77 D N 0.538 120.875 120.400 -0.106 0.000 2.350 77 D HA -0.012 4.627 4.640 -0.002 0.000 0.216 77 D C 0.970 177.023 176.300 -0.412 0.000 0.968 77 D CA 0.539 54.477 54.000 -0.104 0.000 0.894 77 D CB -0.379 40.480 40.800 0.099 0.000 0.909 77 D HN 0.149 nan 8.370 nan 0.000 0.520 78 A N 1.127 123.634 122.820 -0.523 0.000 2.395 78 A HA 0.218 4.536 4.320 -0.002 0.000 0.286 78 A C 0.180 177.479 177.584 -0.475 0.000 1.193 78 A CA -0.116 51.406 52.037 -0.859 0.000 0.852 78 A CB 0.085 18.800 19.000 -0.476 0.000 1.118 78 A HN -0.087 nan 8.150 nan 0.000 0.524 79 K N 2.263 122.379 120.400 -0.473 0.000 2.307 79 K HA 0.488 4.807 4.320 -0.002 0.000 0.263 79 K C -1.101 175.389 176.600 -0.184 0.000 0.973 79 K CA -0.543 55.580 56.287 -0.273 0.000 0.846 79 K CB 2.159 34.550 32.500 -0.182 0.000 1.100 79 K HN 0.399 nan 8.250 nan 0.000 0.438 80 V N 4.634 124.393 119.914 -0.259 0.000 2.383 80 V HA 0.256 4.374 4.120 -0.002 0.000 0.275 80 V C -0.717 175.137 176.094 -0.399 0.000 1.036 80 V CA -0.617 61.541 62.300 -0.238 0.000 0.889 80 V CB -0.113 31.561 31.823 -0.249 0.000 0.985 80 V HN 0.590 nan 8.190 nan 0.000 0.459 81 Y N 2.551 122.658 120.300 -0.321 0.000 2.457 81 Y HA 0.515 5.064 4.550 -0.002 0.000 0.333 81 Y C 0.537 176.259 175.900 -0.296 0.000 1.119 81 Y CA -0.371 57.540 58.100 -0.315 0.000 1.143 81 Y CB 1.655 39.997 38.460 -0.196 0.000 1.230 81 Y HN 0.634 nan 8.280 nan 0.000 0.469 82 C N 2.962 122.181 119.300 -0.134 0.000 2.405 82 C HA 0.788 5.247 4.460 -0.002 0.000 0.365 82 C C 0.338 175.306 174.990 -0.036 0.000 1.233 82 C CA -0.550 58.392 59.018 -0.127 0.000 2.230 82 C CB -1.482 26.155 27.740 -0.170 0.000 2.443 82 C HN 1.001 nan 8.230 nan 0.000 0.556 83 C N 3.587 122.836 119.300 -0.084 0.000 3.295 83 C HA 1.029 5.488 4.460 -0.002 0.000 0.370 83 C C 0.595 175.512 174.990 -0.121 0.000 1.974 83 C CA 0.224 59.179 59.018 -0.106 0.000 1.282 83 C CB 0.552 28.245 27.740 -0.078 0.000 2.380 83 C HN 2.250 nan 8.230 nan 0.000 0.443 84 G N 0.812 109.535 108.800 -0.128 0.000 2.642 84 G HA2 -0.025 3.933 3.960 -0.002 0.000 0.231 84 G HA3 -0.025 3.933 3.960 -0.002 0.000 0.231 84 G C 0.825 175.627 174.900 -0.162 0.000 1.338 84 G CA 0.941 45.969 45.100 -0.121 0.000 0.883 84 G HN 2.519 nan 8.290 nan 0.000 0.570 85 S N -0.799 114.788 115.700 -0.189 0.000 2.400 85 S HA -0.133 4.336 4.470 -0.002 0.000 0.232 85 S C 2.384 176.905 174.600 -0.131 0.000 1.025 85 S CA 2.357 60.363 58.200 -0.324 0.000 0.993 85 S CB -0.236 62.792 63.200 -0.285 0.000 0.808 85 S HN 0.598 nan 8.310 nan 0.000 0.478 86 M N 1.066 120.642 119.600 -0.041 0.000 2.149 86 M HA -0.028 4.450 4.480 -0.002 0.000 0.261 86 M C 2.253 178.634 176.300 0.134 0.000 1.064 86 M CA 1.142 56.489 55.300 0.079 0.000 1.102 86 M CB -1.168 31.387 32.600 -0.075 0.000 1.369 86 M HN 0.322 nan 8.290 nan 0.000 0.408 87 V N -0.019 119.868 119.914 -0.045 0.000 2.302 87 V HA -0.187 3.932 4.120 -0.002 0.000 0.243 87 V C 2.591 178.620 176.094 -0.109 0.000 1.036 87 V CA 2.122 64.322 62.300 -0.167 0.000 1.020 87 V CB -1.205 30.324 31.823 -0.490 0.000 0.657 87 V HN 0.571 nan 8.190 nan 0.000 0.453 88 T N -1.940 112.550 114.554 -0.106 0.000 2.821 88 T HA -0.198 4.150 4.350 -0.002 0.000 0.267 88 T C 1.736 176.608 174.700 0.287 0.000 1.046 88 T CA 1.702 63.812 62.100 0.016 0.000 1.139 88 T CB -0.388 68.418 68.868 -0.102 0.000 0.871 88 T HN 0.420 nan 8.240 nan 0.000 0.454 89 Y N 1.285 121.653 120.300 0.114 0.000 2.507 89 Y HA 0.488 5.037 4.550 -0.002 0.000 0.263 89 Y C 2.180 178.127 175.900 0.079 0.000 1.093 89 Y CA -0.979 57.177 58.100 0.093 0.000 1.285 89 Y CB -0.568 37.914 38.460 0.037 0.000 1.115 89 Y HN 0.405 nan 8.280 nan 0.000 0.533 90 G N 1.016 109.965 108.800 0.249 0.000 2.249 90 G HA2 -0.229 3.729 3.960 -0.002 0.000 0.273 90 G HA3 -0.229 3.729 3.960 -0.002 0.000 0.273 90 G C -0.109 174.744 174.900 -0.079 0.000 1.036 90 G CA 0.345 45.495 45.100 0.083 0.000 0.824 90 G HN 0.267 nan 8.290 nan 0.000 0.504 91 Q N -1.633 118.347 119.800 0.299 0.000 2.377 91 Q HA 0.596 4.935 4.340 -0.002 0.000 0.279 91 Q C -0.753 175.544 176.000 0.495 0.000 1.049 91 Q CA -1.039 54.983 55.803 0.365 0.000 0.825 91 Q CB 1.759 30.596 28.738 0.165 0.000 1.401 91 Q HN 0.297 nan 8.270 nan 0.000 0.404 92 M N 1.819 121.719 119.600 0.500 0.000 2.129 92 M HA 0.307 4.786 4.480 -0.002 0.000 0.348 92 M C -0.801 175.674 176.300 0.291 0.000 1.116 92 M CA 0.178 55.669 55.300 0.319 0.000 1.022 92 M CB 0.778 33.521 32.600 0.238 0.000 1.599 92 M HN 0.411 nan 8.290 nan 0.000 0.449 93 E N 3.212 123.564 120.200 0.254 0.000 2.242 93 E HA 0.409 4.758 4.350 -0.002 0.000 0.275 93 E C -0.658 176.076 176.600 0.225 0.000 1.002 93 E CA -0.710 55.828 56.400 0.229 0.000 0.841 93 E CB 1.057 30.890 29.700 0.223 0.000 1.109 93 E HN 0.552 nan 8.360 nan 0.000 0.394 94 R N 0.817 121.442 120.500 0.209 0.000 2.538 94 R HA 0.136 4.475 4.340 -0.002 0.000 0.282 94 R C 0.932 177.329 176.300 0.163 0.000 1.009 94 R CA 1.141 57.364 56.100 0.206 0.000 1.063 94 R CB 0.116 30.528 30.300 0.186 0.000 0.945 94 R HN 0.920 nan 8.270 nan 0.000 0.414 95 G N 1.613 110.500 108.800 0.146 0.000 2.199 95 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.254 95 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.254 95 G C 0.068 175.038 174.900 0.117 0.000 0.982 95 G CA 0.158 45.325 45.100 0.113 0.000 0.632 95 G HN 0.565 nan 8.290 nan 0.000 0.529 96 S N 1.395 117.183 115.700 0.147 0.000 2.646 96 S HA 0.569 5.038 4.470 -0.002 0.000 0.276 96 S C 0.168 174.861 174.600 0.156 0.000 1.222 96 S CA -0.027 58.253 58.200 0.133 0.000 1.014 96 S CB 1.535 64.812 63.200 0.128 0.000 0.991 96 S HN 0.632 nan 8.310 nan 0.000 0.533 97 D N 0.091 120.562 120.400 0.118 0.000 2.478 97 D HA 0.449 5.087 4.640 -0.002 0.000 0.263 97 D C -0.680 175.676 176.300 0.094 0.000 1.153 97 D CA -0.740 53.341 54.000 0.134 0.000 1.038 97 D CB 0.291 41.149 40.800 0.095 0.000 1.120 97 D HN 0.252 nan 8.370 nan 0.000 0.564 98 L N 0.307 121.595 121.223 0.108 0.000 2.298 98 L HA 0.375 4.713 4.340 -0.002 0.000 0.284 98 L C -1.426 175.474 176.870 0.049 0.000 1.013 98 L CA -0.436 54.410 54.840 0.010 0.000 0.824 98 L CB 1.140 43.166 42.059 -0.055 0.000 1.221 98 L HN 0.237 nan 8.230 nan 0.000 0.418 99 D N 6.844 127.233 120.400 -0.019 0.000 2.233 99 D HA 0.519 5.157 4.640 -0.002 0.000 0.240 99 D C -0.554 175.708 176.300 -0.065 0.000 1.074 99 D CA -0.018 53.971 54.000 -0.018 0.000 0.838 99 D CB 2.032 42.810 40.800 -0.037 0.000 1.124 99 D HN 0.427 nan 8.370 nan 0.000 0.475 100 L N 0.600 121.783 121.223 -0.065 0.000 2.327 100 L HA 0.826 5.165 4.340 -0.002 0.000 0.258 100 L C -0.487 176.300 176.870 -0.138 0.000 1.024 100 L CA -1.121 53.645 54.840 -0.124 0.000 0.825 100 L CB 2.061 44.011 42.059 -0.182 0.000 1.386 100 L HN 0.350 nan 8.230 nan 0.000 0.417 101 A N 0.310 123.044 122.820 -0.143 0.000 2.422 101 A HA 0.599 4.917 4.320 -0.002 0.000 0.302 101 A C -1.397 176.082 177.584 -0.176 0.000 1.041 101 A CA -0.430 51.495 52.037 -0.187 0.000 0.708 101 A CB 1.723 20.637 19.000 -0.143 0.000 1.257 101 A HN 0.739 nan 8.150 nan 0.000 0.414 102 C N 4.665 123.789 119.300 -0.294 0.000 2.251 102 C HA 0.778 5.237 4.460 -0.002 0.000 0.323 102 C C -0.196 174.752 174.990 -0.069 0.000 1.241 102 C CA -0.360 58.557 59.018 -0.169 0.000 1.601 102 C CB -1.431 26.243 27.740 -0.110 0.000 2.251 102 C HN 0.785 nan 8.230 nan 0.000 0.488 103 M N 5.408 124.911 119.600 -0.163 0.000 2.528 103 M HA 0.584 5.063 4.480 -0.002 0.000 0.321 103 M C -0.833 175.208 176.300 -0.431 0.000 1.153 103 M CA -0.225 54.968 55.300 -0.178 0.000 0.951 103 M CB 1.956 34.417 32.600 -0.231 0.000 1.705 103 M HN 0.565 nan 8.290 nan 0.000 0.451 104 F N -0.409 119.512 119.950 -0.048 0.000 2.908 104 F HA 0.344 4.869 4.527 -0.002 0.000 0.355 104 F C 1.349 177.099 175.800 -0.084 0.000 1.367 104 F CA -0.526 57.429 58.000 -0.075 0.000 1.086 104 F CB 0.140 39.090 39.000 -0.084 0.000 1.702 104 F HN 0.494 nan 8.300 nan 0.000 0.463 105 D N -0.434 120.052 120.400 0.143 0.000 2.097 105 D HA -0.100 4.539 4.640 -0.002 0.000 0.197 105 D C 0.143 176.472 176.300 0.048 0.000 0.984 105 D CA 1.396 55.417 54.000 0.034 0.000 0.826 105 D CB -0.379 40.430 40.800 0.015 0.000 0.973 105 D HN 0.233 nan 8.370 nan 0.000 0.460 106 D N 0.483 120.903 120.400 0.034 0.000 2.365 106 D HA 0.063 4.701 4.640 -0.002 0.000 0.237 106 D C -1.832 174.380 176.300 -0.147 0.000 1.190 106 D CA -1.907 52.076 54.000 -0.028 0.000 0.867 106 D CB 1.597 42.403 40.800 0.010 0.000 1.050 106 D HN -0.002 nan 8.370 nan 0.000 0.491 107 P HA 0.016 nan 4.420 nan 0.000 0.249 107 P C -0.523 176.284 177.300 -0.821 0.000 1.229 107 P CA 0.219 62.883 63.100 -0.727 0.000 0.788 107 P CB -0.018 30.974 31.700 -1.179 0.000 1.072 108 Y N 1.456 121.657 120.300 -0.165 0.000 2.553 108 Y HA 0.380 4.929 4.550 -0.003 0.000 0.369 108 Y C -2.055 173.857 175.900 0.019 0.000 0.964 108 Y CA -3.682 54.334 58.100 -0.141 0.000 1.156 108 Y CB -0.193 38.156 38.460 -0.185 0.000 1.218 108 Y HN 0.020 nan 8.280 nan 0.000 0.630 109 P HA 0.151 nan 4.420 nan 0.000 0.274 109 P C 0.289 177.689 177.300 0.167 0.000 1.246 109 P CA -0.225 62.953 63.100 0.131 0.000 0.795 109 P CB 1.308 33.073 31.700 0.108 0.000 1.006 110 S N -0.375 115.409 115.700 0.141 0.000 2.572 110 S HA -0.087 4.382 4.470 -0.002 0.000 0.267 110 S C 1.410 176.115 174.600 0.174 0.000 1.361 110 S CA -0.052 58.245 58.200 0.161 0.000 1.009 110 S CB -0.227 63.049 63.200 0.125 0.000 0.888 110 S HN 0.589 nan 8.310 nan 0.000 0.553 111 H N 0.626 119.765 119.070 0.115 0.000 2.387 111 H HA -0.100 4.455 4.556 -0.003 0.000 0.299 111 H C 1.894 177.267 175.328 0.074 0.000 1.090 111 H CA 2.248 58.361 56.048 0.108 0.000 1.332 111 H CB -0.168 29.656 29.762 0.102 0.000 1.386 111 H HN 0.824 nan 8.280 nan 0.000 0.516 112 E N 0.480 120.778 120.200 0.163 0.000 2.106 112 E HA -0.076 4.273 4.350 -0.002 0.000 0.192 112 E C 2.486 179.082 176.600 -0.006 0.000 0.984 112 E CA 0.836 57.283 56.400 0.079 0.000 0.806 112 E CB -0.335 29.419 29.700 0.090 0.000 0.750 112 E HN 0.273 nan 8.360 nan 0.000 0.458 113 V N 0.837 120.756 119.914 0.007 0.000 2.427 113 V HA -0.260 3.859 4.120 -0.002 0.000 0.248 113 V C 2.279 178.328 176.094 -0.075 0.000 1.051 113 V CA 1.988 64.275 62.300 -0.022 0.000 1.048 113 V CB -0.496 31.333 31.823 0.009 0.000 0.666 113 V HN 0.317 nan 8.190 nan 0.000 0.456 114 Q N -0.123 119.637 119.800 -0.065 0.000 2.079 114 Q HA -0.128 4.211 4.340 -0.002 0.000 0.200 114 Q C 2.450 178.304 176.000 -0.243 0.000 0.974 114 Q CA 1.691 57.440 55.803 -0.090 0.000 0.840 114 Q CB -0.404 28.333 28.738 -0.002 0.000 0.898 114 Q HN 0.667 nan 8.270 nan 0.000 0.430 115 A N 1.465 124.140 122.820 -0.242 0.000 1.902 115 A HA -0.240 4.079 4.320 -0.002 0.000 0.217 115 A C 2.016 179.486 177.584 -0.190 0.000 1.181 115 A CA 1.743 53.662 52.037 -0.196 0.000 0.623 115 A CB -0.406 18.514 19.000 -0.134 0.000 0.818 115 A HN 0.209 nan 8.150 nan 0.000 0.443 116 K N -0.325 119.972 120.400 -0.172 0.000 2.026 116 K HA -0.132 4.186 4.320 -0.002 0.000 0.208 116 K C 2.243 178.679 176.600 -0.274 0.000 1.048 116 K CA 1.611 57.801 56.287 -0.161 0.000 0.929 116 K CB -0.190 32.252 32.500 -0.097 0.000 0.713 116 K HN 0.424 nan 8.250 nan 0.000 0.439 117 R N -0.337 119.921 120.500 -0.403 0.000 2.092 117 R HA -0.065 4.274 4.340 -0.002 0.000 0.231 117 R C 2.309 177.984 176.300 -1.042 0.000 1.119 117 R CA 1.721 57.409 56.100 -0.687 0.000 0.970 117 R CB -0.434 29.438 30.300 -0.713 0.000 0.864 117 R HN 0.271 nan 8.270 nan 0.000 0.440 118 T N 0.809 114.829 114.554 -0.889 0.000 2.635 118 T HA -0.215 4.133 4.350 -0.002 0.000 0.267 118 T C 1.357 175.925 174.700 -0.219 0.000 1.040 118 T CA 1.990 63.880 62.100 -0.351 0.000 1.156 118 T CB -0.415 68.409 68.868 -0.073 0.000 0.863 118 T HN 0.309 nan 8.240 nan 0.000 0.430 119 D N 0.270 120.539 120.400 -0.220 0.000 2.104 119 D HA -0.091 4.548 4.640 -0.002 0.000 0.194 119 D C 2.198 178.357 176.300 -0.236 0.000 0.994 119 D CA 1.224 55.124 54.000 -0.166 0.000 0.830 119 D CB -0.061 40.662 40.800 -0.128 0.000 0.959 119 D HN 0.114 nan 8.370 nan 0.000 0.452 120 K N -0.313 119.862 120.400 -0.375 0.000 2.001 120 K HA -0.123 4.196 4.320 -0.002 0.000 0.214 120 K C 1.962 178.149 176.600 -0.688 0.000 1.050 120 K CA 0.997 56.955 56.287 -0.549 0.000 0.934 120 K CB -0.774 31.273 32.500 -0.754 0.000 0.718 120 K HN 0.127 nan 8.250 nan 0.000 0.443 121 L N 1.138 121.847 121.223 -0.857 0.000 2.046 121 L HA -0.116 4.222 4.340 -0.002 0.000 0.208 121 L C 2.245 179.047 176.870 -0.113 0.000 1.077 121 L CA 1.691 56.236 54.840 -0.491 0.000 0.747 121 L CB -0.489 41.465 42.059 -0.174 0.000 0.896 121 L HN 0.155 nan 8.230 nan 0.000 0.432 122 R N -1.310 119.157 120.500 -0.055 0.000 2.091 122 R HA -0.177 4.162 4.340 -0.002 0.000 0.238 122 R C 1.999 178.316 176.300 0.029 0.000 1.136 122 R CA 2.084 58.211 56.100 0.045 0.000 0.959 122 R CB -0.432 29.888 30.300 0.033 0.000 0.856 122 R HN 0.409 nan 8.270 nan 0.000 0.437 123 T N 0.357 114.888 114.554 -0.039 0.000 2.746 123 T HA -0.100 4.248 4.350 -0.002 0.000 0.267 123 T C 1.819 176.542 174.700 0.039 0.000 1.039 123 T CA 1.422 63.514 62.100 -0.014 0.000 1.142 123 T CB -0.121 68.717 68.868 -0.051 0.000 0.866 123 T HN 0.049 nan 8.240 nan 0.000 0.444 124 V N 1.348 121.280 119.914 0.030 0.000 2.261 124 V HA -0.126 3.992 4.120 -0.002 0.000 0.246 124 V C 2.389 178.645 176.094 0.271 0.000 1.047 124 V CA 1.525 63.911 62.300 0.143 0.000 1.015 124 V CB -0.562 31.332 31.823 0.119 0.000 0.642 124 V HN 0.476 nan 8.190 nan 0.000 0.446 125 I N -0.377 120.329 120.570 0.226 0.000 2.286 125 I HA -0.267 3.902 4.170 -0.002 0.000 0.248 125 I C 2.572 178.886 176.117 0.328 0.000 1.115 125 I CA 1.612 63.098 61.300 0.309 0.000 1.392 125 I CB -0.438 37.732 38.000 0.283 0.000 1.065 125 I HN 0.264 nan 8.210 nan 0.000 0.418 126 K N 1.084 121.607 120.400 0.205 0.000 2.160 126 K HA -0.252 4.067 4.320 -0.002 0.000 0.206 126 K C 2.271 178.924 176.600 0.088 0.000 1.047 126 K CA 1.405 57.771 56.287 0.131 0.000 0.930 126 K CB -0.120 32.420 32.500 0.067 0.000 0.720 126 K HN 0.156 nan 8.250 nan 0.000 0.450 127 R N -0.528 119.999 120.500 0.045 0.000 2.193 127 R HA -0.152 4.187 4.340 -0.002 0.000 0.229 127 R C 0.654 176.744 176.300 -0.350 0.000 1.110 127 R CA 1.473 57.458 56.100 -0.192 0.000 0.988 127 R CB 0.021 30.085 30.300 -0.393 0.000 0.871 127 R HN 0.261 nan 8.270 nan 0.000 0.458 128 Y N -0.432 119.967 120.300 0.166 0.000 2.636 128 Y HA 0.196 4.744 4.550 -0.003 0.000 0.260 128 Y C -0.064 176.007 175.900 0.285 0.000 1.177 128 Y CA -0.739 57.488 58.100 0.213 0.000 1.209 128 Y CB 0.980 39.565 38.460 0.207 0.000 1.166 128 Y HN -0.111 nan 8.280 nan 0.000 0.531 129 V N -1.312 118.746 119.914 0.241 0.000 2.547 129 V HA 0.687 4.806 4.120 -0.002 0.000 0.299 129 V C -2.646 173.342 176.094 -0.177 0.000 1.040 129 V CA -2.923 59.409 62.300 0.053 0.000 0.913 129 V CB 1.816 33.706 31.823 0.112 0.000 0.992 129 V HN -0.163 nan 8.190 nan 0.000 0.449 130 P HA 0.156 nan 4.420 nan 0.000 0.272 130 P C 0.303 177.429 177.300 -0.290 0.000 1.230 130 P CA 0.212 63.100 63.100 -0.352 0.000 0.788 130 P CB 0.666 32.048 31.700 -0.530 0.000 0.949 131 H N 2.130 121.112 119.070 -0.147 0.000 2.353 131 H HA -0.220 4.335 4.556 -0.002 0.000 0.298 131 H C 1.739 177.026 175.328 -0.069 0.000 1.103 131 H CA 2.267 58.272 56.048 -0.071 0.000 1.293 131 H CB -0.841 28.927 29.762 0.010 0.000 1.372 131 H HN 0.528 nan 8.280 nan 0.000 0.501 132 Y N -1.270 119.053 120.300 0.039 0.000 2.574 132 Y HA 0.038 4.586 4.550 -0.002 0.000 0.294 132 Y C 1.460 177.350 175.900 -0.016 0.000 1.142 132 Y CA 0.583 58.681 58.100 -0.004 0.000 1.314 132 Y CB -0.489 37.996 38.460 0.042 0.000 0.991 132 Y HN 0.182 nan 8.280 nan 0.000 0.555 133 L N -0.282 120.658 121.223 -0.472 0.000 2.590 133 L HA 0.226 4.565 4.340 -0.002 0.000 0.227 133 L C 2.552 179.316 176.870 -0.177 0.000 1.099 133 L CA 0.082 54.767 54.840 -0.259 0.000 0.872 133 L CB -0.236 41.612 42.059 -0.351 0.000 1.088 133 L HN 0.103 nan 8.230 nan 0.000 0.479 134 R N 1.489 121.851 120.500 -0.231 0.000 2.105 134 R HA -0.174 4.165 4.340 -0.002 0.000 0.239 134 R C 1.903 178.109 176.300 -0.157 0.000 1.135 134 R CA 1.975 57.959 56.100 -0.192 0.000 0.967 134 R CB -0.023 30.106 30.300 -0.286 0.000 0.861 134 R HN 0.508 nan 8.270 nan 0.000 0.442 135 N N -0.123 118.471 118.700 -0.177 0.000 2.512 135 N HA -0.117 4.621 4.740 -0.002 0.000 0.183 135 N C 0.433 175.881 175.510 -0.103 0.000 1.073 135 N CA 0.849 53.816 53.050 -0.138 0.000 0.911 135 N CB -0.347 38.051 38.487 -0.149 0.000 0.964 135 N HN 0.248 nan 8.380 nan 0.000 0.447 136 N N -0.088 118.559 118.700 -0.088 0.000 2.236 136 N HA 0.063 4.802 4.740 -0.002 0.000 0.196 136 N C -0.443 175.010 175.510 -0.094 0.000 1.114 136 N CA -0.172 52.843 53.050 -0.058 0.000 0.859 136 N CB 0.761 39.269 38.487 0.036 0.000 0.982 136 N HN 0.192 nan 8.380 nan 0.000 0.493 137 L N 2.235 123.403 121.223 -0.091 0.000 2.259 137 L HA 0.396 4.735 4.340 -0.002 0.000 0.288 137 L C -0.774 176.062 176.870 -0.055 0.000 1.051 137 L CA -0.174 54.611 54.840 -0.091 0.000 0.824 137 L CB 0.193 42.239 42.059 -0.022 0.000 1.206 137 L HN -0.118 nan 8.230 nan 0.000 0.429 138 L N 4.119 125.306 121.223 -0.061 0.000 2.330 138 L HA 0.740 5.079 4.340 -0.002 0.000 0.271 138 L C 0.554 177.432 176.870 0.013 0.000 1.013 138 L CA -0.778 54.046 54.840 -0.026 0.000 0.816 138 L CB 1.803 43.843 42.059 -0.031 0.000 1.287 138 L HN 0.666 nan 8.230 nan 0.000 0.435 139 G N 2.490 111.302 108.800 0.020 0.000 2.866 139 G HA2 0.501 4.459 3.960 -0.002 0.000 0.318 139 G HA3 0.501 4.459 3.960 -0.002 0.000 0.318 139 G C -0.364 174.559 174.900 0.038 0.000 1.336 139 G CA -0.414 44.710 45.100 0.040 0.000 1.067 139 G HN 0.441 nan 8.290 nan 0.000 0.515 140 L N 3.463 124.721 121.223 0.059 0.000 2.391 140 L HA 0.127 4.466 4.340 -0.002 0.000 0.249 140 L C 1.909 178.820 176.870 0.068 0.000 1.308 140 L CA -0.352 54.524 54.840 0.060 0.000 1.209 140 L CB -0.124 41.975 42.059 0.066 0.000 1.401 140 L HN 0.667 nan 8.230 nan 0.000 0.416 141 T N -3.539 111.043 114.554 0.047 0.000 3.072 141 T HA -0.054 4.295 4.350 -0.002 0.000 0.266 141 T C 1.137 175.901 174.700 0.107 0.000 1.127 141 T CA 0.643 62.763 62.100 0.032 0.000 1.107 141 T CB 0.040 68.915 68.868 0.011 0.000 0.910 141 T HN 0.518 nan 8.240 nan 0.000 0.513 142 E N 0.717 120.997 120.200 0.132 0.000 2.498 142 E HA 0.467 4.815 4.350 -0.002 0.000 0.203 142 E C 0.759 177.480 176.600 0.201 0.000 1.013 142 E CA -0.377 56.133 56.400 0.183 0.000 0.927 142 E CB 0.521 30.284 29.700 0.104 0.000 1.012 142 E HN 0.616 nan 8.360 nan 0.000 0.482 143 A N 1.510 124.446 122.820 0.193 0.000 2.425 143 A HA 0.062 4.381 4.320 -0.002 0.000 0.242 143 A C 1.287 179.066 177.584 0.324 0.000 1.077 143 A CA -0.099 52.055 52.037 0.194 0.000 0.781 143 A CB 0.495 19.581 19.000 0.143 0.000 1.020 143 A HN 0.183 nan 8.150 nan 0.000 0.494 144 R N 0.078 120.725 120.500 0.245 0.000 2.096 144 R HA -0.117 4.221 4.340 -0.002 0.000 0.240 144 R C -0.214 176.291 176.300 0.342 0.000 1.139 144 R CA 1.951 58.211 56.100 0.266 0.000 0.952 144 R CB -0.232 30.183 30.300 0.191 0.000 0.854 144 R HN 0.694 nan 8.270 nan 0.000 0.436 145 T N 3.108 117.805 114.554 0.238 0.000 3.053 145 T HA 0.330 4.679 4.350 -0.002 0.000 0.363 145 T C -2.552 172.245 174.700 0.161 0.000 1.239 145 T CA -1.376 60.845 62.100 0.201 0.000 1.071 145 T CB 1.793 70.762 68.868 0.169 0.000 1.089 145 T HN 0.103 nan 8.240 nan 0.000 0.527 146 P HA 0.150 nan 4.420 nan 0.000 0.262 146 P C -0.553 176.890 177.300 0.238 0.000 1.182 146 P CA -0.168 63.001 63.100 0.114 0.000 0.761 146 P CB 0.432 32.120 31.700 -0.021 0.000 0.795 147 V N 1.398 121.439 119.914 0.211 0.000 2.876 147 V HA 0.531 4.649 4.120 -0.002 0.000 0.312 147 V C -0.359 175.882 176.094 0.246 0.000 1.085 147 V CA -1.087 61.352 62.300 0.230 0.000 0.945 147 V CB 2.068 33.970 31.823 0.131 0.000 1.017 147 V HN 0.116 nan 8.190 nan 0.000 0.428 148 V N 2.901 123.004 119.914 0.314 0.000 2.583 148 V HA 0.505 4.624 4.120 -0.002 0.000 0.287 148 V C 0.174 176.418 176.094 0.249 0.000 1.051 148 V CA -0.152 62.319 62.300 0.285 0.000 1.010 148 V CB 1.158 33.221 31.823 0.399 0.000 0.988 148 V HN 1.064 nan 8.190 nan 0.000 0.478 149 K N 4.123 124.548 120.400 0.041 0.000 2.482 149 K HA 0.581 4.900 4.320 -0.002 0.000 0.251 149 K C -1.802 174.493 176.600 -0.509 0.000 0.936 149 K CA -0.877 55.311 56.287 -0.164 0.000 0.791 149 K CB 1.996 34.456 32.500 -0.066 0.000 1.213 149 K HN 0.523 nan 8.250 nan 0.000 0.428 150 L N 5.942 126.540 121.223 -1.042 0.000 2.262 150 L HA 0.409 4.748 4.340 -0.002 0.000 0.288 150 L C 0.827 177.419 176.870 -0.463 0.000 1.035 150 L CA 0.066 54.369 54.840 -0.895 0.000 0.820 150 L CB 0.870 42.058 42.059 -1.452 0.000 1.204 150 L HN 0.781 nan 8.230 nan 0.000 0.424 151 R N 3.772 124.144 120.500 -0.213 0.000 2.265 151 R HA 0.211 4.549 4.340 -0.002 0.000 0.194 151 R C -0.207 176.120 176.300 0.045 0.000 0.931 151 R CA 0.098 56.151 56.100 -0.078 0.000 1.032 151 R CB 0.072 30.347 30.300 -0.042 0.000 0.980 151 R HN 0.389 nan 8.270 nan 0.000 0.497 152 F N 0.029 119.905 119.950 -0.124 0.000 2.551 152 F HA 0.642 5.168 4.527 -0.002 0.000 0.316 152 F C -0.441 175.325 175.800 -0.056 0.000 1.089 152 F CA -1.160 56.799 58.000 -0.068 0.000 0.915 152 F CB 2.389 41.361 39.000 -0.046 0.000 1.186 152 F HN -0.047 nan 8.300 nan 0.000 0.456 153 A N 3.980 126.377 122.820 -0.705 0.000 2.603 153 A HA 0.260 4.578 4.320 -0.002 0.000 0.277 153 A C 0.288 177.476 177.584 -0.660 0.000 1.158 153 A CA -0.010 51.735 52.037 -0.487 0.000 0.962 153 A CB -0.654 18.187 19.000 -0.265 0.000 1.189 153 A HN 0.866 nan 8.150 nan 0.000 0.552 154 N N 0.395 118.202 118.700 -1.489 0.000 2.708 154 N HA -0.176 4.562 4.740 -0.002 0.000 0.255 154 N C 0.092 175.341 175.510 -0.436 0.000 1.046 154 N CA 1.108 53.647 53.050 -0.851 0.000 0.715 154 N CB -1.175 37.197 38.487 -0.192 0.000 0.895 154 N HN 0.525 nan 8.380 nan 0.000 0.545 155 D N 0.309 120.456 120.400 -0.422 0.000 2.097 155 D HA -0.101 4.538 4.640 -0.002 0.000 0.195 155 D C 1.475 177.673 176.300 -0.171 0.000 0.989 155 D CA 1.355 55.202 54.000 -0.254 0.000 0.827 155 D CB 0.159 40.857 40.800 -0.169 0.000 0.966 155 D HN 0.523 nan 8.370 nan 0.000 0.456 156 E N 0.467 120.600 120.200 -0.111 0.000 2.160 156 E HA -0.173 4.175 4.350 -0.002 0.000 0.195 156 E C 1.847 178.381 176.600 -0.110 0.000 0.991 156 E CA 0.830 57.184 56.400 -0.076 0.000 0.810 156 E CB -0.076 29.604 29.700 -0.033 0.000 0.742 156 E HN 0.320 nan 8.360 nan 0.000 0.466 157 K N 0.661 120.977 120.400 -0.140 0.000 2.098 157 K HA -0.016 4.302 4.320 -0.002 0.000 0.203 157 K C 2.358 178.829 176.600 -0.215 0.000 1.051 157 K CA 1.093 57.272 56.287 -0.179 0.000 0.957 157 K CB -0.367 32.021 32.500 -0.186 0.000 0.738 157 K HN 0.240 nan 8.250 nan 0.000 0.447 158 V N -1.912 117.880 119.914 -0.204 0.000 3.506 158 V HA 0.265 4.384 4.120 -0.002 0.000 0.263 158 V C 2.187 178.131 176.094 -0.251 0.000 1.203 158 V CA 0.863 63.044 62.300 -0.200 0.000 1.133 158 V CB -0.306 31.414 31.823 -0.172 0.000 0.802 158 V HN 0.046 nan 8.190 nan 0.000 0.459 159 A N 1.462 124.110 122.820 -0.286 0.000 1.903 159 A HA -0.270 4.048 4.320 -0.002 0.000 0.219 159 A C 2.416 179.559 177.584 -0.736 0.000 1.191 159 A CA 2.540 54.314 52.037 -0.439 0.000 0.638 159 A CB -0.709 18.118 19.000 -0.290 0.000 0.823 159 A HN 0.557 nan 8.150 nan 0.000 0.451 160 R N -0.912 119.330 120.500 -0.431 0.000 2.105 160 R HA -0.114 4.224 4.340 -0.002 0.000 0.239 160 R C 2.347 178.555 176.300 -0.153 0.000 1.135 160 R CA 1.205 57.140 56.100 -0.275 0.000 0.967 160 R CB -0.416 29.871 30.300 -0.021 0.000 0.861 160 R HN 0.546 nan 8.270 nan 0.000 0.442 161 A N 0.728 123.496 122.820 -0.086 0.000 2.066 161 A HA -0.099 4.220 4.320 -0.002 0.000 0.218 161 A C 1.888 179.507 177.584 0.059 0.000 1.157 161 A CA 0.807 52.880 52.037 0.059 0.000 0.670 161 A CB -0.201 18.873 19.000 0.122 0.000 0.804 161 A HN 0.218 nan 8.150 nan 0.000 0.453 162 R N -1.545 118.881 120.500 -0.123 0.000 2.115 162 R HA -0.080 4.259 4.340 -0.002 0.000 0.226 162 R C 1.741 178.181 176.300 0.233 0.000 1.100 162 R CA 1.664 57.746 56.100 -0.030 0.000 0.980 162 R CB -0.348 29.831 30.300 -0.202 0.000 0.875 162 R HN 0.786 nan 8.270 nan 0.000 0.445 163 Y N 0.422 120.841 120.300 0.198 0.000 2.201 163 Y HA 0.008 4.557 4.550 -0.002 0.000 0.292 163 Y C 1.242 177.248 175.900 0.177 0.000 1.119 163 Y CA 0.262 58.473 58.100 0.186 0.000 1.127 163 Y CB 0.122 38.645 38.460 0.106 0.000 1.019 163 Y HN -0.007 nan 8.280 nan 0.000 0.514 164 T N -0.709 113.982 114.554 0.228 0.000 2.885 164 T HA 0.414 4.762 4.350 -0.002 0.000 0.285 164 T C -2.879 171.671 174.700 -0.251 0.000 1.019 164 T CA -2.634 59.431 62.100 -0.058 0.000 1.010 164 T CB 1.905 70.782 68.868 0.015 0.000 1.022 164 T HN -0.261 nan 8.240 nan 0.000 0.466 165 P HA 0.162 nan 4.420 nan 0.000 0.267 165 P C -0.234 177.006 177.300 -0.101 0.000 1.200 165 P CA -0.369 62.516 63.100 -0.358 0.000 0.772 165 P CB 0.364 31.883 31.700 -0.303 0.000 0.855 166 L N 1.180 122.390 121.223 -0.023 0.000 2.436 166 L HA 0.176 4.514 4.340 -0.002 0.000 0.265 166 L C 1.330 178.142 176.870 -0.096 0.000 1.168 166 L CA -0.352 54.449 54.840 -0.065 0.000 0.815 166 L CB 0.213 42.226 42.059 -0.077 0.000 1.109 166 L HN 0.487 nan 8.230 nan 0.000 0.462 167 S N 0.663 116.281 115.700 -0.137 0.000 2.617 167 S HA 0.096 4.565 4.470 -0.002 0.000 0.255 167 S C 1.285 175.817 174.600 -0.115 0.000 1.318 167 S CA 0.082 58.213 58.200 -0.115 0.000 0.978 167 S CB 0.591 63.718 63.200 -0.121 0.000 0.961 167 S HN 0.710 nan 8.310 nan 0.000 0.582 168 E N -0.046 120.102 120.200 -0.087 0.000 2.085 168 E HA -0.195 4.153 4.350 -0.002 0.000 0.194 168 E C 1.899 178.442 176.600 -0.095 0.000 0.994 168 E CA 1.784 58.140 56.400 -0.074 0.000 0.801 168 E CB -1.106 28.562 29.700 -0.053 0.000 0.743 168 E HN 0.871 nan 8.360 nan 0.000 0.453 169 E N -0.168 119.960 120.200 -0.120 0.000 2.028 169 E HA -0.200 4.149 4.350 -0.002 0.000 0.191 169 E C 2.266 178.728 176.600 -0.230 0.000 0.988 169 E CA 1.203 57.521 56.400 -0.137 0.000 0.799 169 E CB -0.087 29.540 29.700 -0.122 0.000 0.755 169 E HN 0.687 nan 8.360 nan 0.000 0.447 170 E N 0.521 120.477 120.200 -0.407 0.000 2.110 170 E HA -0.223 4.126 4.350 -0.002 0.000 0.193 170 E C 1.820 178.170 176.600 -0.417 0.000 0.988 170 E CA 1.383 57.290 56.400 -0.821 0.000 0.804 170 E CB -0.124 28.842 29.700 -1.223 0.000 0.745 170 E HN 0.313 nan 8.360 nan 0.000 0.458 171 D N 0.672 120.942 120.400 -0.218 0.000 2.123 171 D HA -0.195 4.443 4.640 -0.002 0.000 0.196 171 D C 2.026 178.302 176.300 -0.040 0.000 0.992 171 D CA 1.159 55.111 54.000 -0.079 0.000 0.833 171 D CB 0.061 40.830 40.800 -0.051 0.000 0.954 171 D HN -0.029 nan 8.370 nan 0.000 0.455 172 R N 0.113 120.578 120.500 -0.059 0.000 2.081 172 R HA -0.140 4.199 4.340 -0.002 0.000 0.235 172 R C 2.043 178.349 176.300 0.010 0.000 1.131 172 R CA 1.466 57.552 56.100 -0.023 0.000 0.960 172 R CB 0.021 30.302 30.300 -0.032 0.000 0.856 172 R HN 0.109 nan 8.270 nan 0.000 0.436 173 K N -0.206 120.199 120.400 0.009 0.000 2.097 173 K HA -0.074 4.244 4.320 -0.002 0.000 0.206 173 K C 1.956 178.646 176.600 0.150 0.000 1.049 173 K CA 1.421 57.766 56.287 0.097 0.000 0.933 173 K CB -0.105 32.503 32.500 0.181 0.000 0.717 173 K HN 0.215 nan 8.250 nan 0.000 0.442 174 A N 1.092 124.001 122.820 0.149 0.000 2.121 174 A HA -0.081 4.238 4.320 -0.002 0.000 0.218 174 A C 1.630 179.296 177.584 0.137 0.000 1.154 174 A CA 0.956 53.102 52.037 0.182 0.000 0.679 174 A CB -0.148 18.956 19.000 0.174 0.000 0.795 174 A HN 0.171 nan 8.150 nan 0.000 0.458 175 R N -0.427 120.127 120.500 0.090 0.000 2.393 175 R HA 0.096 4.434 4.340 -0.002 0.000 0.244 175 R C -0.606 175.734 176.300 0.066 0.000 0.920 175 R CA 0.234 56.376 56.100 0.070 0.000 1.076 175 R CB 0.331 30.653 30.300 0.037 0.000 1.119 175 R HN 0.296 nan 8.270 nan 0.000 0.524 176 T N 0.985 115.589 114.554 0.082 0.000 2.788 176 T HA 0.477 4.826 4.350 -0.002 0.000 0.296 176 T C -0.149 174.603 174.700 0.086 0.000 1.009 176 T CA -0.512 61.628 62.100 0.068 0.000 0.949 176 T CB 1.691 70.595 68.868 0.059 0.000 0.946 176 T HN 0.132 nan 8.240 nan 0.000 0.453 177 A N 3.151 126.012 122.820 0.069 0.000 2.304 177 A HA 0.787 5.105 4.320 -0.002 0.000 0.271 177 A C -0.545 177.072 177.584 0.055 0.000 1.091 177 A CA -0.544 51.537 52.037 0.074 0.000 0.812 177 A CB 0.397 19.433 19.000 0.060 0.000 1.056 177 A HN 0.677 nan 8.150 nan 0.000 0.489 178 L N 1.433 122.698 121.223 0.071 0.000 2.406 178 L HA 0.555 4.893 4.340 -0.002 0.000 0.272 178 L C -1.244 175.685 176.870 0.098 0.000 0.980 178 L CA -0.026 54.860 54.840 0.076 0.000 0.831 178 L CB 1.400 43.510 42.059 0.086 0.000 1.253 178 L HN 0.599 nan 8.230 nan 0.000 0.406 179 L N 3.871 125.157 121.223 0.105 0.000 2.305 179 L HA 0.491 4.829 4.340 -0.002 0.000 0.284 179 L C -0.831 176.174 176.870 0.224 0.000 1.013 179 L CA -0.666 54.283 54.840 0.180 0.000 0.819 179 L CB 1.695 43.851 42.059 0.162 0.000 1.227 179 L HN 0.511 nan 8.230 nan 0.000 0.417 180 D N 2.742 123.278 120.400 0.227 0.000 2.373 180 D HA 0.395 5.034 4.640 -0.002 0.000 0.227 180 D C -0.926 175.514 176.300 0.233 0.000 1.091 180 D CA -0.120 53.999 54.000 0.199 0.000 0.840 180 D CB 1.691 42.531 40.800 0.067 0.000 1.060 180 D HN 0.052 nan 8.370 nan 0.000 0.502 181 V N 5.435 125.530 119.914 0.302 0.000 2.384 181 V HA 0.463 4.581 4.120 -0.002 0.000 0.287 181 V C 0.377 176.641 176.094 0.284 0.000 1.020 181 V CA -0.843 61.611 62.300 0.257 0.000 0.850 181 V CB 1.453 33.408 31.823 0.219 0.000 0.987 181 V HN 0.420 nan 8.190 nan 0.000 0.436 182 R N 3.908 124.515 120.500 0.178 0.000 2.486 182 R HA 0.448 4.787 4.340 -0.002 0.000 0.286 182 R C 0.521 176.884 176.300 0.105 0.000 0.999 182 R CA -0.368 55.834 56.100 0.169 0.000 0.993 182 R CB 0.909 31.247 30.300 0.064 0.000 1.084 182 R HN 0.854 nan 8.270 nan 0.000 0.487 183 N N -0.320 118.439 118.700 0.098 0.000 2.955 183 N HA -0.222 4.517 4.740 -0.002 0.000 0.230 183 N C -0.509 175.020 175.510 0.031 0.000 0.891 183 N CA 1.694 54.773 53.050 0.049 0.000 1.002 183 N CB -0.712 37.792 38.487 0.028 0.000 1.063 183 N HN 0.814 nan 8.380 nan 0.000 0.601 184 Q N -1.319 118.504 119.800 0.038 0.000 2.418 184 Q HA 0.698 5.037 4.340 -0.002 0.000 0.282 184 Q C -1.271 174.744 176.000 0.025 0.000 1.044 184 Q CA -0.913 54.903 55.803 0.021 0.000 0.813 184 Q CB 2.352 31.096 28.738 0.010 0.000 1.428 184 Q HN 0.199 nan 8.270 nan 0.000 0.402 185 C N 2.445 121.752 119.300 0.012 0.000 2.322 185 C HA 0.692 5.150 4.460 -0.002 0.000 0.324 185 C C 0.041 175.045 174.990 0.023 0.000 1.249 185 C CA -0.251 58.772 59.018 0.009 0.000 1.453 185 C CB 0.390 28.119 27.740 -0.017 0.000 2.145 185 C HN 0.701 nan 8.230 nan 0.000 0.466 186 V N 5.239 125.181 119.914 0.046 0.000 2.775 186 V HA 0.889 5.008 4.120 -0.002 0.000 0.299 186 V C 0.603 176.720 176.094 0.040 0.000 1.062 186 V CA 0.611 62.946 62.300 0.058 0.000 1.063 186 V CB 0.781 32.667 31.823 0.105 0.000 0.994 186 V HN 1.056 nan 8.190 nan 0.000 0.483 187 G N 1.732 110.555 108.800 0.038 0.000 3.075 187 G HA2 0.434 4.393 3.960 -0.002 0.000 0.253 187 G HA3 0.434 4.393 3.960 -0.002 0.000 0.253 187 G C -0.087 174.833 174.900 0.033 0.000 1.353 187 G CA -0.109 45.007 45.100 0.027 0.000 1.051 187 G HN 0.638 nan 8.290 nan 0.000 0.553 188 D N -0.126 120.289 120.400 0.025 0.000 2.178 188 D HA -0.104 4.534 4.640 -0.002 0.000 0.201 188 D C 2.097 178.420 176.300 0.039 0.000 0.980 188 D CA 0.942 54.958 54.000 0.026 0.000 0.842 188 D CB 0.131 40.941 40.800 0.018 0.000 0.948 188 D HN 0.231 nan 8.370 nan 0.000 0.472 189 N N 0.872 119.598 118.700 0.043 0.000 2.171 189 N HA -0.096 4.642 4.740 -0.002 0.000 0.184 189 N C 1.286 176.855 175.510 0.099 0.000 1.021 189 N CA 0.702 53.786 53.050 0.058 0.000 0.854 189 N CB -0.286 38.223 38.487 0.038 0.000 0.994 189 N HN 0.197 nan 8.380 nan 0.000 0.426 190 D N 0.859 121.314 120.400 0.090 0.000 2.116 190 D HA -0.105 4.534 4.640 -0.002 0.000 0.193 190 D C 2.054 178.471 176.300 0.195 0.000 0.998 190 D CA 0.783 54.874 54.000 0.150 0.000 0.836 190 D CB -0.282 40.586 40.800 0.114 0.000 0.951 190 D HN -0.006 nan 8.370 nan 0.000 0.449 191 V N 1.259 121.234 119.914 0.101 0.000 2.287 191 V HA -0.237 3.882 4.120 -0.002 0.000 0.248 191 V C 2.472 178.586 176.094 0.033 0.000 1.053 191 V CA 1.749 64.076 62.300 0.044 0.000 1.027 191 V CB -0.452 31.380 31.823 0.016 0.000 0.646 191 V HN 0.215 nan 8.190 nan 0.000 0.447 192 E N -1.051 119.185 120.200 0.060 0.000 2.153 192 E HA -0.256 4.092 4.350 -0.002 0.000 0.194 192 E C 2.118 178.764 176.600 0.077 0.000 0.988 192 E CA 1.497 57.926 56.400 0.049 0.000 0.811 192 E CB -0.165 29.567 29.700 0.054 0.000 0.746 192 E HN 0.782 nan 8.360 nan 0.000 0.466 193 Y N 0.953 121.270 120.300 0.027 0.000 2.181 193 Y HA -0.195 4.354 4.550 -0.003 0.000 0.288 193 Y C 1.866 177.814 175.900 0.081 0.000 1.146 193 Y CA 1.553 59.691 58.100 0.065 0.000 1.164 193 Y CB -0.194 38.321 38.460 0.091 0.000 0.982 193 Y HN -0.027 nan 8.280 nan 0.000 0.515 194 I N 0.454 120.973 120.570 -0.085 0.000 2.179 194 I HA -0.323 3.845 4.170 -0.002 0.000 0.242 194 I C 2.720 178.610 176.117 -0.379 0.000 1.088 194 I CA 1.374 62.436 61.300 -0.397 0.000 1.357 194 I CB -0.777 36.932 38.000 -0.484 0.000 1.051 194 I HN 0.368 nan 8.210 nan 0.000 0.409 195 A N 0.045 122.734 122.820 -0.218 0.000 1.933 195 A HA -0.241 4.078 4.320 -0.002 0.000 0.218 195 A C 2.180 179.697 177.584 -0.112 0.000 1.175 195 A CA 1.851 53.796 52.037 -0.154 0.000 0.628 195 A CB -0.471 18.472 19.000 -0.094 0.000 0.814 195 A HN 0.368 nan 8.150 nan 0.000 0.444 196 E N 0.055 120.193 120.200 -0.102 0.000 2.047 196 E HA -0.158 4.191 4.350 -0.002 0.000 0.191 196 E C 2.016 178.567 176.600 -0.081 0.000 0.987 196 E CA 1.687 58.045 56.400 -0.070 0.000 0.799 196 E CB -0.208 29.471 29.700 -0.035 0.000 0.752 196 E HN 0.594 nan 8.360 nan 0.000 0.449 197 K N -0.553 119.755 120.400 -0.153 0.000 2.147 197 K HA -0.074 4.244 4.320 -0.002 0.000 0.205 197 K C 2.031 178.644 176.600 0.023 0.000 1.049 197 K CA 1.321 57.554 56.287 -0.090 0.000 0.936 197 K CB -0.052 32.338 32.500 -0.183 0.000 0.722 197 K HN 0.176 nan 8.250 nan 0.000 0.446 198 M N -0.178 119.430 119.600 0.013 0.000 2.319 198 M HA 0.024 4.503 4.480 -0.002 0.000 0.265 198 M C 0.410 176.710 176.300 -0.000 0.000 1.068 198 M CA 1.011 56.325 55.300 0.024 0.000 1.118 198 M CB 0.057 32.620 32.600 -0.062 0.000 1.395 198 M HN 0.380 nan 8.290 nan 0.000 0.435 199 G N 2.564 111.352 108.800 -0.021 0.000 3.313 199 G HA2 -0.180 3.778 3.960 -0.002 0.000 0.563 199 G HA3 -0.180 3.778 3.960 -0.002 0.000 0.563 199 G C -0.060 174.820 174.900 -0.034 0.000 1.037 199 G CA -0.199 44.888 45.100 -0.022 0.000 0.848 199 G HN 0.356 nan 8.290 nan 0.000 0.416 200 R N 1.111 121.588 120.500 -0.038 0.000 3.923 200 R HA -0.254 4.084 4.340 -0.002 0.000 0.400 200 R C 1.607 177.893 176.300 -0.024 0.000 0.241 200 R CA 1.926 58.010 56.100 -0.026 0.000 1.284 200 R CB -1.712 28.577 30.300 -0.018 0.000 1.006 200 R HN 0.637 nan 8.270 nan 0.000 0.559 201 D N 1.271 121.660 120.400 -0.019 0.000 2.286 201 D HA -0.158 4.481 4.640 -0.002 0.000 0.195 201 D C 1.438 177.726 176.300 -0.019 0.000 1.012 201 D CA 1.846 55.836 54.000 -0.017 0.000 0.901 201 D CB -0.382 40.409 40.800 -0.015 0.000 0.903 201 D HN 0.323 nan 8.370 nan 0.000 0.451 202 N N -0.488 118.199 118.700 -0.021 0.000 2.424 202 N HA 0.007 4.745 4.740 -0.002 0.000 0.178 202 N C -0.154 175.340 175.510 -0.027 0.000 1.060 202 N CA 0.176 53.214 53.050 -0.020 0.000 0.901 202 N CB 1.023 39.501 38.487 -0.014 0.000 0.979 202 N HN 0.066 nan 8.380 nan 0.000 0.451 203 V N 1.158 121.050 119.914 -0.037 0.000 2.448 203 V HA 0.207 4.326 4.120 -0.002 0.000 0.295 203 V C 0.742 176.813 176.094 -0.039 0.000 1.025 203 V CA -0.518 61.753 62.300 -0.049 0.000 0.859 203 V CB 2.444 34.219 31.823 -0.079 0.000 0.988 203 V HN 0.008 nan 8.190 nan 0.000 0.431 204 E N 3.033 123.213 120.200 -0.033 0.000 2.166 204 E HA 0.335 4.684 4.350 -0.002 0.000 0.192 204 E C 0.830 177.414 176.600 -0.027 0.000 0.967 204 E CA 0.705 57.090 56.400 -0.025 0.000 0.840 204 E CB 0.817 30.506 29.700 -0.019 0.000 0.795 204 E HN 0.823 nan 8.360 nan 0.000 0.470 205 G N 0.524 109.305 108.800 -0.031 0.000 2.667 205 G HA2 0.550 4.508 3.960 -0.002 0.000 0.294 205 G HA3 0.550 4.508 3.960 -0.002 0.000 0.294 205 G C -1.547 173.330 174.900 -0.038 0.000 1.467 205 G CA -0.737 44.345 45.100 -0.030 0.000 0.852 205 G HN -0.017 nan 8.290 nan 0.000 0.521 206 I N 0.487 121.035 120.570 -0.037 0.000 2.499 206 I HA 0.708 4.876 4.170 -0.002 0.000 0.288 206 I C 0.353 176.456 176.117 -0.022 0.000 1.048 206 I CA -1.024 60.250 61.300 -0.043 0.000 1.062 206 I CB 2.062 40.021 38.000 -0.069 0.000 1.238 206 I HN 0.752 nan 8.210 nan 0.000 0.426 207 R N 4.897 125.390 120.500 -0.013 0.000 2.437 207 R HA 0.838 5.176 4.340 -0.002 0.000 0.310 207 R C -1.421 174.884 176.300 0.008 0.000 0.955 207 R CA -0.539 55.560 56.100 -0.001 0.000 0.851 207 R CB 1.649 31.952 30.300 0.005 0.000 1.161 207 R HN 0.436 nan 8.270 nan 0.000 0.446 208 V N 3.783 123.702 119.914 0.009 0.000 2.409 208 V HA 0.410 4.529 4.120 -0.002 0.000 0.291 208 V C -1.164 174.934 176.094 0.008 0.000 1.020 208 V CA -1.064 61.246 62.300 0.017 0.000 0.848 208 V CB 1.662 33.497 31.823 0.020 0.000 0.990 208 V HN 0.941 nan 8.190 nan 0.000 0.430 209 D N 3.866 124.271 120.400 0.008 0.000 2.278 209 D HA 0.425 5.064 4.640 -0.002 0.000 0.245 209 D C 0.152 176.423 176.300 -0.047 0.000 1.052 209 D CA -0.664 53.329 54.000 -0.012 0.000 0.834 209 D CB 1.498 42.297 40.800 -0.001 0.000 1.194 209 D HN 0.310 nan 8.370 nan 0.000 0.481 210 R N 0.620 121.078 120.500 -0.071 0.000 2.698 210 R HA 0.248 4.587 4.340 -0.002 0.000 0.266 210 R C 0.565 176.728 176.300 -0.228 0.000 1.026 210 R CA 0.485 56.503 56.100 -0.136 0.000 1.102 210 R CB 0.337 30.575 30.300 -0.103 0.000 0.978 210 R HN 0.564 nan 8.270 nan 0.000 0.436 211 T N -2.050 112.225 114.554 -0.464 0.000 2.762 211 T HA 0.178 4.526 4.350 -0.002 0.000 0.272 211 T C 1.022 175.465 174.700 -0.428 0.000 0.982 211 T CA -0.864 60.879 62.100 -0.595 0.000 1.013 211 T CB 1.198 69.169 68.868 -1.495 0.000 1.309 211 T HN 0.399 nan 8.240 nan 0.000 0.572 212 T N 0.461 114.859 114.554 -0.260 0.000 3.113 212 T HA 0.032 4.381 4.350 -0.002 0.000 0.263 212 T C 0.859 175.539 174.700 -0.034 0.000 1.143 212 T CA 1.013 63.062 62.100 -0.085 0.000 1.090 212 T CB -0.691 68.191 68.868 0.024 0.000 0.922 212 T HN 0.759 nan 8.240 nan 0.000 0.521 213 Y N -1.031 119.272 120.300 0.006 0.000 2.453 213 Y HA 0.664 5.212 4.550 -0.002 0.000 0.247 213 Y C 0.674 176.579 175.900 0.008 0.000 1.124 213 Y CA -1.023 57.080 58.100 0.004 0.000 1.243 213 Y CB 0.453 38.914 38.460 0.002 0.000 1.213 213 Y HN 0.015 nan 8.280 nan 0.000 0.523 214 G N 1.035 109.712 108.800 -0.204 0.000 2.732 214 G HA2 0.520 4.478 3.960 -0.002 0.000 0.295 214 G HA3 0.520 4.478 3.960 -0.002 0.000 0.295 214 G C -1.423 173.290 174.900 -0.312 0.000 1.456 214 G CA -0.517 44.090 45.100 -0.821 0.000 1.050 214 G HN 0.596 nan 8.290 nan 0.000 0.525 215 C N 0.838 120.081 119.300 -0.095 0.000 3.090 215 C HA 0.872 5.330 4.460 -0.002 0.000 0.305 215 C C -0.353 174.717 174.990 0.133 0.000 1.292 215 C CA -1.371 57.622 59.018 -0.042 0.000 1.482 215 C CB 1.436 29.186 27.740 0.017 0.000 1.897 215 C HN 0.826 nan 8.230 nan 0.000 0.469 216 R N 1.164 121.728 120.500 0.106 0.000 2.407 216 R HA 0.746 5.084 4.340 -0.002 0.000 0.303 216 R C -0.884 175.476 176.300 0.100 0.000 0.981 216 R CA -0.447 55.742 56.100 0.147 0.000 0.905 216 R CB 1.150 31.532 30.300 0.137 0.000 1.099 216 R HN 0.779 nan 8.270 nan 0.000 0.459 217 I N 2.552 123.187 120.570 0.108 0.000 2.382 217 I HA 0.338 4.506 4.170 -0.002 0.000 0.285 217 I C -0.073 176.062 176.117 0.030 0.000 1.007 217 I CA -0.746 60.589 61.300 0.058 0.000 1.142 217 I CB 1.828 39.861 38.000 0.056 0.000 1.289 217 I HN 0.560 nan 8.210 nan 0.000 0.453 218 A N 8.079 130.910 122.820 0.018 0.000 2.276 218 A HA 0.738 5.057 4.320 -0.002 0.000 0.300 218 A C -0.283 177.288 177.584 -0.022 0.000 1.235 218 A CA -0.314 51.729 52.037 0.010 0.000 0.867 218 A CB 0.193 19.207 19.000 0.023 0.000 1.137 218 A HN 0.746 nan 8.150 nan 0.000 0.527 219 I N 2.856 123.406 120.570 -0.035 0.000 2.405 219 I HA 0.198 4.366 4.170 -0.002 0.000 0.280 219 I C 0.250 176.349 176.117 -0.030 0.000 1.027 219 I CA -0.151 61.109 61.300 -0.067 0.000 1.161 219 I CB 1.358 39.277 38.000 -0.136 0.000 1.300 219 I HN 0.765 nan 8.210 nan 0.000 0.463 220 Q N 5.654 125.440 119.800 -0.023 0.000 2.307 220 Q HA 0.339 4.677 4.340 -0.002 0.000 0.259 220 Q C -1.013 174.978 176.000 -0.015 0.000 0.998 220 Q CA -0.326 55.472 55.803 -0.007 0.000 0.923 220 Q CB 1.109 29.844 28.738 -0.004 0.000 1.196 220 Q HN 0.712 nan 8.270 nan 0.000 0.416 221 C N 1.986 121.284 119.300 -0.002 0.000 2.407 221 C HA 0.356 4.814 4.460 -0.002 0.000 0.366 221 C C 1.984 176.972 174.990 -0.003 0.000 1.213 221 C CA -0.182 58.832 59.018 -0.006 0.000 2.011 221 C CB 1.346 29.090 27.740 0.007 0.000 2.306 221 C HN 0.974 nan 8.230 nan 0.000 0.527 222 T N -1.123 113.427 114.554 -0.008 0.000 2.951 222 T HA 0.035 4.383 4.350 -0.002 0.000 0.268 222 T C 0.542 175.239 174.700 -0.005 0.000 1.073 222 T CA 1.128 63.223 62.100 -0.009 0.000 1.134 222 T CB -0.232 68.628 68.868 -0.013 0.000 0.884 222 T HN 0.871 nan 8.240 nan 0.000 0.479 223 S N -0.793 114.907 115.700 -0.000 0.000 2.618 223 S HA 0.538 5.007 4.470 -0.002 0.000 0.277 223 S C 0.286 174.895 174.600 0.016 0.000 1.138 223 S CA -1.183 57.017 58.200 0.001 0.000 0.844 223 S CB 2.282 65.475 63.200 -0.011 0.000 1.127 223 S HN 0.083 nan 8.310 nan 0.000 0.474 224 K N 0.424 120.834 120.400 0.017 0.000 2.147 224 K HA -0.094 4.225 4.320 -0.002 0.000 0.205 224 K C 1.461 178.073 176.600 0.021 0.000 1.049 224 K CA 1.666 57.974 56.287 0.034 0.000 0.936 224 K CB -0.240 32.276 32.500 0.026 0.000 0.722 224 K HN 0.589 nan 8.250 nan 0.000 0.446 225 E N 0.736 120.930 120.200 -0.011 0.000 2.085 225 E HA -0.175 4.174 4.350 -0.002 0.000 0.194 225 E C 2.044 178.646 176.600 0.004 0.000 0.994 225 E CA 1.149 57.532 56.400 -0.028 0.000 0.801 225 E CB 0.002 29.674 29.700 -0.048 0.000 0.743 225 E HN 0.183 nan 8.360 nan 0.000 0.453 226 Q N -0.620 119.189 119.800 0.015 0.000 2.187 226 Q HA -0.004 4.334 4.340 -0.002 0.000 0.199 226 Q C 2.067 178.105 176.000 0.062 0.000 0.957 226 Q CA 0.613 56.435 55.803 0.031 0.000 0.857 226 Q CB -0.220 28.526 28.738 0.012 0.000 0.929 226 Q HN 0.333 nan 8.270 nan 0.000 0.453 227 M N 0.633 120.276 119.600 0.071 0.000 2.108 227 M HA -0.162 4.317 4.480 -0.002 0.000 0.261 227 M C 1.906 178.314 176.300 0.179 0.000 1.066 227 M CA 1.344 56.709 55.300 0.109 0.000 1.107 227 M CB -0.504 32.169 32.600 0.122 0.000 1.356 227 M HN 0.150 nan 8.290 nan 0.000 0.406 228 I N 0.207 120.895 120.570 0.196 0.000 2.208 228 I HA -0.306 3.862 4.170 -0.002 0.000 0.245 228 I C 2.254 178.583 176.117 0.354 0.000 1.097 228 I CA 1.143 62.619 61.300 0.292 0.000 1.363 228 I CB -0.620 37.476 38.000 0.160 0.000 1.051 228 I HN 0.250 nan 8.210 nan 0.000 0.413 229 E N 1.059 121.400 120.200 0.236 0.000 2.085 229 E HA -0.239 4.109 4.350 -0.002 0.000 0.194 229 E C 2.341 179.105 176.600 0.274 0.000 0.994 229 E CA 1.630 58.204 56.400 0.290 0.000 0.801 229 E CB -0.407 29.387 29.700 0.157 0.000 0.743 229 E HN 0.546 nan 8.360 nan 0.000 0.453 230 A N 1.193 124.110 122.820 0.162 0.000 1.898 230 A HA -0.137 4.182 4.320 -0.002 0.000 0.216 230 A C 2.385 180.016 177.584 0.078 0.000 1.181 230 A CA 1.122 53.201 52.037 0.070 0.000 0.620 230 A CB -0.703 18.290 19.000 -0.011 0.000 0.819 230 A HN 0.182 nan 8.150 nan 0.000 0.442 231 I N -0.110 120.543 120.570 0.138 0.000 2.145 231 I HA -0.271 3.897 4.170 -0.002 0.000 0.244 231 I C 2.335 178.498 176.117 0.078 0.000 1.075 231 I CA 1.424 62.800 61.300 0.127 0.000 1.332 231 I CB -0.429 37.684 38.000 0.188 0.000 1.033 231 I HN 0.416 nan 8.210 nan 0.000 0.410 232 G N -0.776 108.068 108.800 0.073 0.000 3.124 232 G HA2 -0.127 3.831 3.960 -0.002 0.000 0.212 232 G HA3 -0.127 3.831 3.960 -0.002 0.000 0.212 232 G C 1.200 176.044 174.900 -0.093 0.000 1.181 232 G CA -0.356 44.583 45.100 -0.268 0.000 0.803 232 G HN 0.269 nan 8.290 nan 0.000 0.529 233 F N 1.140 120.990 119.950 -0.167 0.000 2.102 233 F HA 0.214 4.739 4.527 -0.002 0.000 0.298 233 F C 0.945 176.638 175.800 -0.178 0.000 1.105 233 F CA 0.354 58.219 58.000 -0.224 0.000 1.239 233 F CB -0.090 38.665 39.000 -0.409 0.000 0.991 233 F HN 0.030 nan 8.300 nan 0.000 0.474 234 F N 2.337 122.187 119.950 -0.166 0.000 2.399 234 F HA 0.267 4.792 4.527 -0.003 0.000 0.342 234 F C -1.726 173.943 175.800 -0.219 0.000 1.106 234 F CA -2.516 55.240 58.000 -0.407 0.000 1.196 234 F CB 0.182 38.583 39.000 -0.999 0.000 1.163 234 F HN -0.144 nan 8.300 nan 0.000 0.547 235 P HA 0.057 nan 4.420 nan 0.000 0.280 235 P C -0.611 176.644 177.300 -0.076 0.000 1.244 235 P CA -0.238 62.877 63.100 0.025 0.000 0.784 235 P CB 1.256 32.998 31.700 0.069 0.000 0.913 236 D N 1.608 121.968 120.400 -0.068 0.000 2.392 236 D HA 0.055 4.693 4.640 -0.002 0.000 0.206 236 D C 1.239 177.540 176.300 0.001 0.000 1.046 236 D CA 0.683 54.569 54.000 -0.191 0.000 0.865 236 D CB -0.021 40.635 40.800 -0.240 0.000 0.969 236 D HN 0.589 nan 8.370 nan 0.000 0.509 237 G N 1.071 109.886 108.800 0.024 0.000 2.259 237 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.217 237 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.217 237 G C 1.218 176.127 174.900 0.014 0.000 1.001 237 G CA 0.511 45.627 45.100 0.026 0.000 0.627 237 G HN 0.389 nan 8.290 nan 0.000 0.501 238 K N 0.039 120.451 120.400 0.021 0.000 2.309 238 K HA 0.573 4.891 4.320 -0.002 0.000 0.210 238 K C 2.331 178.884 176.600 -0.079 0.000 1.114 238 K CA 0.786 57.020 56.287 -0.087 0.000 0.912 238 K CB -0.168 32.138 32.500 -0.322 0.000 1.198 238 K HN 0.302 nan 8.250 nan 0.000 0.471 239 I N 0.365 120.934 120.570 -0.002 0.000 2.193 239 I HA -0.046 4.123 4.170 -0.002 0.000 0.240 239 I C 0.381 176.431 176.117 -0.112 0.000 1.084 239 I CA 0.782 62.087 61.300 0.009 0.000 1.365 239 I CB 0.123 38.261 38.000 0.230 0.000 1.064 239 I HN 0.114 nan 8.210 nan 0.000 0.410 240 M N 1.015 120.514 119.600 -0.167 0.000 2.253 240 M HA 0.295 4.773 4.480 -0.002 0.000 0.314 240 M C -0.114 176.141 176.300 -0.075 0.000 1.019 240 M CA -0.368 54.787 55.300 -0.242 0.000 0.932 240 M CB 1.247 33.429 32.600 -0.697 0.000 1.606 240 M HN 0.135 nan 8.290 nan 0.000 0.430 241 T N -0.440 114.099 114.554 -0.025 0.000 2.910 241 T HA 0.549 4.897 4.350 -0.002 0.000 0.279 241 T C 1.164 175.889 174.700 0.043 0.000 0.989 241 T CA -0.711 61.393 62.100 0.008 0.000 0.968 241 T CB 1.686 70.556 68.868 0.003 0.000 1.135 241 T HN 0.698 nan 8.240 nan 0.000 0.562 242 R N -0.021 120.502 120.500 0.039 0.000 2.091 242 R HA -0.024 4.314 4.340 -0.002 0.000 0.238 242 R C 2.603 178.925 176.300 0.038 0.000 1.136 242 R CA 1.588 57.717 56.100 0.048 0.000 0.959 242 R CB -1.020 29.299 30.300 0.031 0.000 0.856 242 R HN 0.862 nan 8.270 nan 0.000 0.437 243 G N 0.361 109.174 108.800 0.022 0.000 2.509 243 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.218 243 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.218 243 G C 1.075 175.978 174.900 0.004 0.000 1.124 243 G CA 0.260 45.365 45.100 0.008 0.000 0.776 243 G HN 0.220 nan 8.290 nan 0.000 0.547 244 M N 0.125 119.739 119.600 0.023 0.000 2.637 244 M HA 0.331 4.809 4.480 -0.002 0.000 0.286 244 M C 1.831 178.142 176.300 0.018 0.000 1.246 244 M CA -0.391 54.921 55.300 0.021 0.000 0.978 244 M CB 0.663 33.277 32.600 0.024 0.000 1.417 244 M HN 0.001 nan 8.290 nan 0.000 0.487 245 R N 2.046 122.525 120.500 -0.036 0.000 2.117 245 R HA -0.132 4.207 4.340 -0.002 0.000 0.243 245 R C 1.447 177.486 176.300 -0.436 0.000 1.143 245 R CA 1.861 57.824 56.100 -0.228 0.000 0.968 245 R CB -0.212 30.006 30.300 -0.137 0.000 0.863 245 R HN 0.428 nan 8.270 nan 0.000 0.444 246 E N -0.350 119.714 120.200 -0.226 0.000 2.418 246 E HA -0.109 4.239 4.350 -0.002 0.000 0.197 246 E C 0.553 177.039 176.600 -0.189 0.000 1.026 246 E CA 0.785 57.064 56.400 -0.201 0.000 0.862 246 E CB 0.057 29.690 29.700 -0.112 0.000 0.799 246 E HN 0.419 nan 8.360 nan 0.000 0.518 247 D N -0.394 119.917 120.400 -0.149 0.000 2.363 247 D HA -0.032 4.606 4.640 -0.002 0.000 0.220 247 D C -0.196 176.130 176.300 0.043 0.000 0.994 247 D CA 0.718 54.699 54.000 -0.032 0.000 0.890 247 D CB 0.103 40.921 40.800 0.029 0.000 0.906 247 D HN 0.287 nan 8.370 nan 0.000 0.530 248 Y N -2.378 117.881 120.300 -0.069 0.000 2.562 248 Y HA 0.609 5.157 4.550 -0.002 0.000 0.345 248 Y C -0.712 175.176 175.900 -0.020 0.000 1.045 248 Y CA -1.494 56.595 58.100 -0.019 0.000 1.028 248 Y CB 0.848 39.320 38.460 0.020 0.000 1.297 248 Y HN -0.228 nan 8.280 nan 0.000 0.463 249 T N -0.103 114.515 114.554 0.107 0.000 2.861 249 T HA 0.636 4.984 4.350 -0.002 0.000 0.287 249 T C -0.836 173.987 174.700 0.205 0.000 1.003 249 T CA -1.205 60.892 62.100 -0.005 0.000 0.977 249 T CB 1.538 70.208 68.868 -0.330 0.000 0.996 249 T HN 0.812 nan 8.240 nan 0.000 0.448 250 R N 2.231 122.870 120.500 0.232 0.000 2.340 250 R HA 0.643 4.982 4.340 -0.002 0.000 0.300 250 R C -0.563 175.825 176.300 0.147 0.000 1.069 250 R CA -0.667 55.556 56.100 0.205 0.000 0.984 250 R CB 0.553 30.957 30.300 0.174 0.000 1.003 250 R HN 0.666 nan 8.270 nan 0.000 0.459 251 D N 1.020 121.499 120.400 0.132 0.000 2.744 251 D HA 0.422 5.060 4.640 -0.002 0.000 0.304 251 D C -1.292 175.085 176.300 0.129 0.000 1.179 251 D CA -0.604 53.489 54.000 0.155 0.000 1.024 251 D CB 2.202 43.095 40.800 0.155 0.000 1.453 251 D HN 0.203 nan 8.370 nan 0.000 0.529 252 V N -0.153 119.861 119.914 0.167 0.000 2.960 252 V HA 0.467 4.586 4.120 -0.002 0.000 0.315 252 V C 1.067 177.229 176.094 0.113 0.000 1.087 252 V CA -0.773 61.612 62.300 0.143 0.000 0.982 252 V CB 1.648 33.578 31.823 0.179 0.000 1.039 252 V HN 0.562 nan 8.190 nan 0.000 0.437 253 L N 0.823 122.111 121.223 0.108 0.000 2.017 253 L HA 0.191 4.530 4.340 -0.002 0.000 0.208 253 L C 0.788 177.709 176.870 0.085 0.000 1.073 253 L CA 2.251 57.147 54.840 0.094 0.000 0.745 253 L CB -0.267 41.852 42.059 0.099 0.000 0.894 253 L HN 1.047 nan 8.230 nan 0.000 0.432 254 D N -1.737 118.725 120.400 0.103 0.000 2.736 254 D HA 0.139 4.778 4.640 -0.002 0.000 0.243 254 D C 1.006 177.292 176.300 -0.024 0.000 1.304 254 D CA 0.250 54.278 54.000 0.047 0.000 0.934 254 D CB 1.703 42.601 40.800 0.162 0.000 1.382 254 D HN -0.030 nan 8.370 nan 0.000 0.571 255 V N 2.899 122.741 119.914 -0.121 0.000 2.828 255 V HA -0.158 3.961 4.120 -0.002 0.000 0.260 255 V C 1.923 177.900 176.094 -0.194 0.000 1.101 255 V CA 1.171 63.381 62.300 -0.149 0.000 1.123 255 V CB -0.640 30.995 31.823 -0.314 0.000 0.704 255 V HN 0.417 nan 8.190 nan 0.000 0.493 256 R N -0.447 119.798 120.500 -0.424 0.000 2.153 256 R HA 0.190 4.529 4.340 -0.002 0.000 0.218 256 R C -0.091 175.871 176.300 -0.563 0.000 1.072 256 R CA 0.790 56.478 56.100 -0.686 0.000 0.990 256 R CB -0.019 29.493 30.300 -1.313 0.000 0.889 256 R HN 0.597 nan 8.270 nan 0.000 0.452 257 F N 0.920 120.893 119.950 0.038 0.000 2.552 257 F HA 0.299 4.825 4.527 -0.002 0.000 0.369 257 F C -0.199 175.661 175.800 0.099 0.000 1.112 257 F CA -1.507 56.526 58.000 0.054 0.000 1.129 257 F CB 1.164 40.189 39.000 0.042 0.000 1.360 257 F HN -0.317 nan 8.300 nan 0.000 0.473 258 V N -0.159 119.913 119.914 0.264 0.000 3.040 258 V HA 0.775 4.893 4.120 -0.002 0.000 0.312 258 V C -2.830 173.427 176.094 0.272 0.000 1.115 258 V CA -3.267 59.219 62.300 0.310 0.000 0.998 258 V CB 2.207 34.260 31.823 0.382 0.000 1.042 258 V HN 0.169 nan 8.190 nan 0.000 0.433 259 P HA 0.077 nan 4.420 nan 0.000 0.266 259 P C 0.381 177.677 177.300 -0.007 0.000 1.186 259 P CA 0.450 63.589 63.100 0.064 0.000 0.767 259 P CB 0.496 32.141 31.700 -0.091 0.000 0.820 260 E N 2.160 122.348 120.200 -0.020 0.000 2.130 260 E HA -0.238 4.111 4.350 -0.002 0.000 0.196 260 E C 1.672 178.311 176.600 0.065 0.000 0.998 260 E CA 1.855 58.289 56.400 0.056 0.000 0.806 260 E CB -0.769 28.960 29.700 0.048 0.000 0.738 260 E HN 0.608 nan 8.360 nan 0.000 0.459 261 M N -1.560 117.941 119.600 -0.164 0.000 2.549 261 M HA 0.028 4.507 4.480 -0.002 0.000 0.260 261 M C 0.590 176.955 176.300 0.107 0.000 1.076 261 M CA 1.230 56.454 55.300 -0.126 0.000 1.090 261 M CB -0.049 32.333 32.600 -0.364 0.000 1.418 261 M HN -0.079 nan 8.290 nan 0.000 0.486 262 F N 0.122 120.212 119.950 0.232 0.000 2.727 262 F HA 0.360 4.886 4.527 -0.003 0.000 0.302 262 F C 1.675 177.522 175.800 0.078 0.000 1.097 262 F CA 0.238 58.339 58.000 0.169 0.000 1.330 262 F CB -0.563 38.508 39.000 0.117 0.000 1.084 262 F HN 0.169 nan 8.300 nan 0.000 0.578 263 M N -1.921 117.787 119.600 0.179 0.000 2.414 263 M HA 0.133 4.612 4.480 -0.002 0.000 0.251 263 M C -0.742 175.343 176.300 -0.359 0.000 1.116 263 M CA 0.455 55.694 55.300 -0.101 0.000 1.056 263 M CB 0.410 32.903 32.600 -0.178 0.000 1.388 263 M HN -0.131 nan 8.290 nan 0.000 0.487 264 Y N -0.053 120.317 120.300 0.117 0.000 2.446 264 Y HA 0.448 4.996 4.550 -0.003 0.000 0.345 264 Y C -0.013 175.935 175.900 0.079 0.000 0.984 264 Y CA -1.279 56.885 58.100 0.108 0.000 1.058 264 Y CB 1.069 39.622 38.460 0.155 0.000 1.220 264 Y HN -0.102 nan 8.280 nan 0.000 0.455 265 R N 3.513 124.090 120.500 0.128 0.000 2.489 265 R HA 0.155 4.494 4.340 -0.002 0.000 0.287 265 R C -0.961 175.417 176.300 0.130 0.000 1.053 265 R CA 0.031 56.122 56.100 -0.015 0.000 1.036 265 R CB 0.441 30.735 30.300 -0.011 0.000 0.966 265 R HN 0.737 nan 8.270 nan 0.000 0.432 266 W N 1.899 123.240 121.300 0.068 0.000 3.083 266 W HA 0.409 5.067 4.660 -0.003 0.000 0.333 266 W C -1.364 175.164 176.519 0.014 0.000 1.217 266 W CA -1.059 56.303 57.345 0.027 0.000 1.170 266 W CB 1.157 30.622 29.460 0.008 0.000 1.437 266 W HN 0.534 nan 8.180 nan 0.000 0.557 267 D N 0.704 121.345 120.400 0.401 0.000 2.819 267 D HA 0.615 5.253 4.640 -0.002 0.000 0.232 267 D C -1.210 175.228 176.300 0.231 0.000 1.160 267 D CA -0.560 53.614 54.000 0.290 0.000 0.858 267 D CB 2.754 43.625 40.800 0.120 0.000 1.610 267 D HN 0.384 nan 8.370 nan 0.000 0.481 268 I N 1.605 122.281 120.570 0.176 0.000 2.410 268 I HA 0.178 4.346 4.170 -0.002 0.000 0.286 268 I C 0.635 176.585 176.117 -0.278 0.000 1.009 268 I CA -0.523 60.721 61.300 -0.093 0.000 1.111 268 I CB 1.753 39.667 38.000 -0.143 0.000 1.262 268 I HN 0.470 nan 8.210 nan 0.000 0.443 269 S N 4.744 120.256 115.700 -0.314 0.000 2.713 269 S HA 0.548 5.016 4.470 -0.002 0.000 0.277 269 S C -0.116 174.068 174.600 -0.694 0.000 1.168 269 S CA -0.342 57.682 58.200 -0.293 0.000 0.994 269 S CB 1.082 64.250 63.200 -0.053 0.000 1.054 269 S HN 0.441 nan 8.310 nan 0.000 0.555 270 F N 0.251 120.254 119.950 0.088 0.000 2.764 270 F HA 0.370 4.896 4.527 -0.002 0.000 0.310 270 F C 0.121 175.957 175.800 0.059 0.000 1.124 270 F CA -0.565 57.499 58.000 0.108 0.000 1.252 270 F CB 0.909 40.004 39.000 0.159 0.000 1.010 270 F HN 0.553 nan 8.300 nan 0.000 0.518 271 V N -2.935 117.026 119.914 0.078 0.000 3.001 271 V HA 0.871 4.990 4.120 -0.002 0.000 0.314 271 V C 0.669 176.685 176.094 -0.129 0.000 1.099 271 V CA -0.504 61.800 62.300 0.007 0.000 0.989 271 V CB 1.375 33.300 31.823 0.170 0.000 1.040 271 V HN 0.052 nan 8.190 nan 0.000 0.434 272 G N -0.531 108.079 108.800 -0.316 0.000 2.939 272 G HA2 0.013 3.971 3.960 -0.002 0.000 0.210 272 G HA3 0.013 3.971 3.960 -0.002 0.000 0.210 272 G C 0.637 175.452 174.900 -0.141 0.000 1.160 272 G CA 0.329 45.218 45.100 -0.353 0.000 0.770 272 G HN 0.808 nan 8.290 nan 0.000 0.543 273 Y N 1.525 121.909 120.300 0.140 0.000 2.165 273 Y HA -0.096 4.453 4.550 -0.003 0.000 0.286 273 Y C 2.898 178.816 175.900 0.029 0.000 1.155 273 Y CA 1.070 59.227 58.100 0.094 0.000 1.164 273 Y CB -0.773 37.764 38.460 0.129 0.000 0.978 273 Y HN 0.183 nan 8.280 nan 0.000 0.513 274 G N -0.537 108.345 108.800 0.137 0.000 2.422 274 G HA2 -0.194 3.764 3.960 -0.002 0.000 0.218 274 G HA3 -0.194 3.764 3.960 -0.002 0.000 0.218 274 G C 1.799 176.701 174.900 0.004 0.000 1.146 274 G CA 1.307 46.408 45.100 0.001 0.000 0.769 274 G HN 0.301 nan 8.290 nan 0.000 0.547 275 V N 0.584 120.496 119.914 -0.004 0.000 2.343 275 V HA -0.154 3.965 4.120 -0.002 0.000 0.247 275 V C 2.677 178.861 176.094 0.150 0.000 1.051 275 V CA 2.272 64.603 62.300 0.053 0.000 1.036 275 V CB -0.415 31.383 31.823 -0.041 0.000 0.654 275 V HN 0.364 nan 8.190 nan 0.000 0.451 276 K N 1.035 121.462 120.400 0.045 0.000 2.002 276 K HA -0.230 4.089 4.320 -0.002 0.000 0.209 276 K C 2.020 178.756 176.600 0.227 0.000 1.048 276 K CA 1.938 58.231 56.287 0.011 0.000 0.930 276 K CB -0.259 32.020 32.500 -0.369 0.000 0.714 276 K HN 0.713 nan 8.250 nan 0.000 0.438 277 N N -0.311 118.588 118.700 0.332 0.000 2.309 277 N HA -0.098 4.641 4.740 -0.002 0.000 0.182 277 N C 1.333 177.026 175.510 0.305 0.000 1.018 277 N CA 1.711 55.049 53.050 0.480 0.000 0.876 277 N CB -0.307 38.497 38.487 0.528 0.000 0.972 277 N HN -0.043 nan 8.380 nan 0.000 0.434 278 S N -0.478 115.305 115.700 0.138 0.000 2.368 278 S HA -0.046 4.423 4.470 -0.002 0.000 0.224 278 S C 1.435 175.988 174.600 -0.078 0.000 1.029 278 S CA 0.782 58.975 58.200 -0.011 0.000 0.988 278 S CB -0.538 62.559 63.200 -0.171 0.000 0.838 278 S HN 0.419 nan 8.310 nan 0.000 0.462 279 Y N 0.996 121.376 120.300 0.134 0.000 2.314 279 Y HA 0.015 4.564 4.550 -0.003 0.000 0.293 279 Y C 2.209 178.205 175.900 0.160 0.000 1.129 279 Y CA 0.366 58.540 58.100 0.123 0.000 1.201 279 Y CB -0.315 38.187 38.460 0.071 0.000 0.999 279 Y HN 0.164 nan 8.280 nan 0.000 0.541 280 L N 0.340 121.751 121.223 0.313 0.000 1.989 280 L HA -0.237 4.101 4.340 -0.002 0.000 0.211 280 L C 2.048 179.130 176.870 0.354 0.000 1.071 280 L CA 1.810 56.819 54.840 0.283 0.000 0.749 280 L CB -0.786 41.493 42.059 0.367 0.000 0.890 280 L HN 0.209 nan 8.230 nan 0.000 0.431 281 I N -0.809 119.982 120.570 0.368 0.000 2.179 281 I HA -0.320 3.849 4.170 -0.002 0.000 0.242 281 I C 2.759 179.091 176.117 0.358 0.000 1.088 281 I CA 1.538 63.071 61.300 0.387 0.000 1.357 281 I CB -0.403 37.781 38.000 0.305 0.000 1.051 281 I HN 0.321 nan 8.210 nan 0.000 0.409 282 R N 0.077 120.739 120.500 0.269 0.000 2.091 282 R HA -0.268 4.071 4.340 -0.002 0.000 0.238 282 R C 2.603 179.123 176.300 0.367 0.000 1.136 282 R CA 1.853 58.136 56.100 0.303 0.000 0.959 282 R CB -0.538 29.838 30.300 0.126 0.000 0.856 282 R HN 0.480 nan 8.270 nan 0.000 0.437 283 H N -0.341 118.837 119.070 0.180 0.000 2.290 283 H HA -0.201 4.354 4.556 -0.002 0.000 0.298 283 H C 1.647 177.026 175.328 0.084 0.000 1.087 283 H CA 2.293 58.383 56.048 0.070 0.000 1.291 283 H CB -0.490 29.217 29.762 -0.091 0.000 1.369 283 H HN 0.338 nan 8.280 nan 0.000 0.492 284 Y N 0.667 121.112 120.300 0.241 0.000 2.165 284 Y HA -0.182 4.366 4.550 -0.003 0.000 0.286 284 Y C 3.046 178.986 175.900 0.066 0.000 1.155 284 Y CA 0.935 59.118 58.100 0.139 0.000 1.164 284 Y CB -0.064 38.487 38.460 0.152 0.000 0.978 284 Y HN 0.133 nan 8.280 nan 0.000 0.513 285 L N -1.224 120.172 121.223 0.288 0.000 2.291 285 L HA -0.181 4.158 4.340 -0.002 0.000 0.214 285 L C 1.130 177.942 176.870 -0.097 0.000 1.120 285 L CA 1.078 55.996 54.840 0.130 0.000 0.799 285 L CB -0.379 41.769 42.059 0.148 0.000 0.925 285 L HN 0.353 nan 8.230 nan 0.000 0.446 286 H N -1.624 117.456 119.070 0.017 0.000 2.586 286 H HA 0.158 4.713 4.556 -0.003 0.000 0.273 286 H C 0.973 176.242 175.328 -0.099 0.000 0.997 286 H CA 0.165 56.193 56.048 -0.034 0.000 1.177 286 H CB 0.317 30.059 29.762 -0.034 0.000 1.471 286 H HN 0.174 nan 8.280 nan 0.000 0.538 287 N N 0.130 118.792 118.700 -0.062 0.000 2.194 287 N HA 0.127 4.866 4.740 -0.002 0.000 0.231 287 N C 0.675 176.169 175.510 -0.026 0.000 1.247 287 N CA 0.203 53.185 53.050 -0.112 0.000 0.884 287 N CB 1.827 40.103 38.487 -0.351 0.000 1.146 287 N HN 0.263 nan 8.380 nan 0.000 0.516 288 G N 1.267 110.073 108.800 0.010 0.000 2.782 288 G HA2 0.466 4.424 3.960 -0.002 0.000 0.201 288 G HA3 0.466 4.424 3.960 -0.002 0.000 0.201 288 G C -2.526 172.375 174.900 0.001 0.000 1.374 288 G CA -0.713 44.396 45.100 0.015 0.000 1.039 288 G HN -0.105 nan 8.290 nan 0.000 0.576 289 P HA 0.136 nan 4.420 nan 0.000 0.268 289 P C 1.141 178.456 177.300 0.026 0.000 1.208 289 P CA -0.424 62.681 63.100 0.010 0.000 0.777 289 P CB 0.917 32.629 31.700 0.020 0.000 0.875 290 V N 1.830 121.758 119.914 0.023 0.000 2.392 290 V HA -0.282 3.837 4.120 -0.002 0.000 0.249 290 V C 2.142 178.271 176.094 0.059 0.000 1.059 290 V CA 2.560 64.877 62.300 0.029 0.000 1.051 290 V CB -1.544 30.292 31.823 0.022 0.000 0.658 290 V HN 0.714 nan 8.190 nan 0.000 0.455 291 A N -0.412 122.452 122.820 0.074 0.000 2.239 291 A HA 0.226 4.544 4.320 -0.002 0.000 0.209 291 A C 2.321 179.975 177.584 0.116 0.000 1.171 291 A CA 1.196 53.294 52.037 0.103 0.000 0.768 291 A CB -0.453 18.602 19.000 0.092 0.000 0.790 291 A HN 0.530 nan 8.150 nan 0.000 0.478 292 A N 0.469 123.361 122.820 0.120 0.000 1.883 292 A HA -0.198 4.121 4.320 -0.002 0.000 0.217 292 A C 2.211 179.868 177.584 0.121 0.000 1.186 292 A CA 1.778 53.953 52.037 0.231 0.000 0.624 292 A CB -0.436 18.672 19.000 0.180 0.000 0.822 292 A HN 0.546 nan 8.150 nan 0.000 0.444 293 R N -1.603 118.866 120.500 -0.052 0.000 2.066 293 R HA -0.138 4.201 4.340 -0.002 0.000 0.232 293 R C 2.102 178.202 176.300 -0.333 0.000 1.131 293 R CA 1.735 57.694 56.100 -0.235 0.000 0.955 293 R CB -0.422 29.647 30.300 -0.384 0.000 0.851 293 R HN 0.741 nan 8.270 nan 0.000 0.432 294 H N -1.096 117.851 119.070 -0.205 0.000 2.352 294 H HA -0.084 4.471 4.556 -0.002 0.000 0.299 294 H C 1.904 177.090 175.328 -0.238 0.000 1.097 294 H CA 2.209 58.139 56.048 -0.197 0.000 1.311 294 H CB 0.101 29.801 29.762 -0.105 0.000 1.377 294 H HN 0.226 nan 8.280 nan 0.000 0.504 295 T N 0.062 114.537 114.554 -0.132 0.000 2.708 295 T HA -0.182 4.167 4.350 -0.002 0.000 0.266 295 T C 2.338 176.581 174.700 -0.762 0.000 1.037 295 T CA 1.072 62.942 62.100 -0.384 0.000 1.146 295 T CB -0.527 68.151 68.868 -0.318 0.000 0.865 295 T HN 0.485 nan 8.240 nan 0.000 0.435 296 A N 1.577 123.904 122.820 -0.822 0.000 1.908 296 A HA -0.116 4.203 4.320 -0.002 0.000 0.218 296 A C 2.363 179.770 177.584 -0.296 0.000 1.181 296 A CA 1.755 53.400 52.037 -0.653 0.000 0.627 296 A CB -0.781 18.136 19.000 -0.137 0.000 0.818 296 A HN 0.472 nan 8.150 nan 0.000 0.445 297 M N -0.687 118.712 119.600 -0.334 0.000 2.159 297 M HA -0.161 4.317 4.480 -0.002 0.000 0.263 297 M C 2.506 178.771 176.300 -0.058 0.000 1.063 297 M CA 1.429 56.600 55.300 -0.214 0.000 1.110 297 M CB -0.400 31.986 32.600 -0.357 0.000 1.374 297 M HN 0.504 nan 8.290 nan 0.000 0.411 298 A N -0.238 122.516 122.820 -0.111 0.000 1.898 298 A HA -0.082 4.237 4.320 -0.002 0.000 0.216 298 A C 2.225 179.820 177.584 0.018 0.000 1.181 298 A CA 1.416 53.439 52.037 -0.023 0.000 0.620 298 A CB -0.919 18.048 19.000 -0.056 0.000 0.819 298 A HN 0.279 nan 8.150 nan 0.000 0.442 299 V N 0.389 120.193 119.914 -0.183 0.000 2.295 299 V HA -0.299 3.820 4.120 -0.002 0.000 0.246 299 V C 2.552 178.766 176.094 0.199 0.000 1.049 299 V CA 2.478 64.713 62.300 -0.109 0.000 1.024 299 V CB -0.691 30.753 31.823 -0.632 0.000 0.648 299 V HN 0.708 nan 8.190 nan 0.000 0.447 300 K N 0.240 120.707 120.400 0.112 0.000 2.032 300 K HA -0.218 4.101 4.320 -0.002 0.000 0.209 300 K C 2.186 178.896 176.600 0.183 0.000 1.048 300 K CA 1.799 58.190 56.287 0.174 0.000 0.927 300 K CB -0.400 32.224 32.500 0.207 0.000 0.712 300 K HN 0.419 nan 8.250 nan 0.000 0.441 301 A N 0.453 123.384 122.820 0.184 0.000 1.902 301 A HA -0.191 4.128 4.320 -0.002 0.000 0.217 301 A C 1.947 179.655 177.584 0.206 0.000 1.181 301 A CA 1.502 53.642 52.037 0.172 0.000 0.623 301 A CB -1.158 17.937 19.000 0.159 0.000 0.818 301 A HN 0.755 nan 8.150 nan 0.000 0.443 302 W N 0.908 122.262 121.300 0.091 0.000 2.338 302 W HA -0.123 4.536 4.660 -0.002 0.000 0.304 302 W C 2.116 178.684 176.519 0.083 0.000 1.212 302 W CA 2.174 59.587 57.345 0.114 0.000 1.264 302 W CB -0.570 29.023 29.460 0.221 0.000 1.142 302 W HN 0.243 nan 8.180 nan 0.000 0.512 303 G N 0.563 109.392 108.800 0.048 0.000 2.440 303 G HA2 -0.307 3.651 3.960 -0.002 0.000 0.218 303 G HA3 -0.307 3.651 3.960 -0.002 0.000 0.218 303 G C 1.505 176.274 174.900 -0.218 0.000 1.154 303 G CA 1.237 46.196 45.100 -0.234 0.000 0.767 303 G HN 0.339 nan 8.290 nan 0.000 0.552 304 K N 0.540 120.897 120.400 -0.070 0.000 2.209 304 K HA 0.091 4.410 4.320 -0.002 0.000 0.204 304 K C 2.475 179.017 176.600 -0.096 0.000 1.048 304 K CA 0.876 57.131 56.287 -0.054 0.000 0.940 304 K CB -0.062 32.447 32.500 0.014 0.000 0.729 304 K HN 0.296 nan 8.250 nan 0.000 0.451 305 A N 0.772 123.514 122.820 -0.131 0.000 2.275 305 A HA 0.093 4.411 4.320 -0.002 0.000 0.212 305 A C 0.607 178.056 177.584 -0.225 0.000 1.201 305 A CA 0.373 52.336 52.037 -0.123 0.000 0.843 305 A CB 0.297 19.273 19.000 -0.040 0.000 0.873 305 A HN 0.088 nan 8.150 nan 0.000 0.492 306 T N -1.876 112.461 114.554 -0.362 0.000 2.804 306 T HA 0.203 4.552 4.350 -0.002 0.000 0.290 306 T C 0.561 175.038 174.700 -0.371 0.000 1.099 306 T CA -0.639 61.181 62.100 -0.467 0.000 1.011 306 T CB 1.065 69.362 68.868 -0.952 0.000 1.291 306 T HN 0.089 nan 8.240 nan 0.000 0.523 307 N N 0.529 119.021 118.700 -0.347 0.000 2.651 307 N HA -0.057 4.681 4.740 -0.002 0.000 0.193 307 N C 1.328 176.709 175.510 -0.216 0.000 1.149 307 N CA 0.583 53.492 53.050 -0.234 0.000 0.933 307 N CB -0.023 38.345 38.487 -0.199 0.000 0.974 307 N HN 0.202 nan 8.380 nan 0.000 0.448 308 V N -1.377 118.354 119.914 -0.304 0.000 2.788 308 V HA 0.289 4.407 4.120 -0.002 0.000 0.241 308 V C 1.530 177.556 176.094 -0.113 0.000 1.083 308 V CA 1.180 63.327 62.300 -0.256 0.000 1.103 308 V CB 0.274 31.797 31.823 -0.499 0.000 0.800 308 V HN 0.446 nan 8.190 nan 0.000 0.476 309 G N -0.703 108.020 108.800 -0.127 0.000 2.713 309 G HA2 0.351 4.310 3.960 -0.002 0.000 0.215 309 G HA3 0.351 4.310 3.960 -0.002 0.000 0.215 309 G C 0.378 175.224 174.900 -0.090 0.000 1.265 309 G CA 0.171 45.173 45.100 -0.164 0.000 1.204 309 G HN 1.814 nan 8.290 nan 0.000 0.545 310 A N -2.504 120.267 122.820 -0.080 0.000 5.893 310 A HA 0.472 4.791 4.320 -0.002 0.000 0.235 310 A C 1.598 179.155 177.584 -0.044 0.000 2.342 310 A CA 1.784 53.789 52.037 -0.052 0.000 0.703 310 A CB -1.405 nan 19.000 nan 0.000 0.914 310 A HN 2.767 nan 8.150 nan 0.000 0.339 311 G N -2.742 106.040 108.800 -0.030 0.000 3.264 311 G HA2 0.611 4.569 3.960 -0.002 0.000 0.168 311 G HA3 0.611 4.569 3.960 -0.002 0.000 0.168 311 G C 0.601 175.484 174.900 -0.028 0.000 1.145 311 G CA 1.136 46.219 45.100 -0.029 0.000 0.855 311 G HN 2.170 nan 8.290 nan 0.000 0.629 312 S N 0.214 115.896 115.700 -0.028 0.000 2.994 312 S HA 0.484 4.952 4.470 -0.002 0.000 0.247 312 S C 0.365 174.924 174.600 -0.067 0.000 1.323 312 S CA 0.225 58.403 58.200 -0.037 0.000 1.246 312 S CB -1.112 62.072 63.200 -0.027 0.000 0.994 312 S HN 0.984 nan 8.310 nan 0.000 0.484 313 G N 0.109 108.870 108.800 -0.065 0.000 2.590 313 G HA2 0.598 4.556 3.960 -0.002 0.000 0.310 313 G HA3 0.598 4.556 3.960 -0.002 0.000 0.310 313 G C 0.248 175.102 174.900 -0.076 0.000 1.347 313 G CA -0.238 44.810 45.100 -0.086 0.000 0.963 313 G HN 1.164 nan 8.290 nan 0.000 0.494 314 A N 0.510 123.271 122.820 -0.099 0.000 2.687 314 A HA 0.006 4.324 4.320 -0.002 0.000 0.299 314 A C 0.464 178.025 177.584 -0.040 0.000 1.497 314 A CA 2.221 54.211 52.037 -0.079 0.000 0.751 314 A CB -2.203 16.748 19.000 -0.082 0.000 1.048 314 A HN 2.199 nan 8.150 nan 0.000 0.464 315 M N -2.377 117.214 119.600 -0.016 0.000 2.744 315 M HA 0.909 5.387 4.480 -0.002 0.000 0.283 315 M C -0.575 175.744 176.300 0.032 0.000 1.275 315 M CA -0.977 54.323 55.300 -0.000 0.000 0.796 315 M CB 0.910 33.496 32.600 -0.022 0.000 1.739 315 M HN 0.135 nan 8.290 nan 0.000 0.454 316 L N 1.552 122.800 121.223 0.042 0.000 2.309 316 L HA 0.665 5.004 4.340 -0.002 0.000 0.282 316 L C 0.336 177.242 176.870 0.059 0.000 1.036 316 L CA -0.893 53.981 54.840 0.057 0.000 0.806 316 L CB 1.774 43.893 42.059 0.100 0.000 1.220 316 L HN 1.023 nan 8.230 nan 0.000 0.429 317 T N -1.244 113.355 114.554 0.076 0.000 2.766 317 T HA 0.091 4.439 4.350 -0.002 0.000 0.295 317 T C 1.294 176.063 174.700 0.115 0.000 1.024 317 T CA -0.468 61.693 62.100 0.100 0.000 1.018 317 T CB 1.130 70.087 68.868 0.149 0.000 1.002 317 T HN 0.571 nan 8.240 nan 0.000 0.532 318 S N 0.291 116.062 115.700 0.119 0.000 2.381 318 S HA -0.193 4.275 4.470 -0.002 0.000 0.230 318 S C 1.484 176.186 174.600 0.170 0.000 1.052 318 S CA 1.861 60.141 58.200 0.133 0.000 1.068 318 S CB -0.987 62.278 63.200 0.108 0.000 0.918 318 S HN 0.792 nan 8.310 nan 0.000 0.448 319 Y N 2.387 122.717 120.300 0.050 0.000 2.145 319 Y HA -0.138 4.410 4.550 -0.003 0.000 0.286 319 Y C 2.432 178.376 175.900 0.074 0.000 1.145 319 Y CA 0.987 59.120 58.100 0.055 0.000 1.148 319 Y CB -1.095 37.391 38.460 0.043 0.000 0.981 319 Y HN 0.187 nan 8.280 nan 0.000 0.507 320 A N 0.157 122.922 122.820 -0.092 0.000 1.883 320 A HA -0.192 4.126 4.320 -0.002 0.000 0.217 320 A C 2.374 179.926 177.584 -0.054 0.000 1.186 320 A CA 2.898 54.825 52.037 -0.184 0.000 0.624 320 A CB -1.698 17.259 19.000 -0.072 0.000 0.822 320 A HN 0.661 nan 8.150 nan 0.000 0.444 321 V N -2.760 117.208 119.914 0.090 0.000 2.626 321 V HA -0.130 3.989 4.120 -0.002 0.000 0.252 321 V C 2.086 178.303 176.094 0.205 0.000 1.067 321 V CA 2.580 65.016 62.300 0.227 0.000 1.081 321 V CB -1.650 30.368 31.823 0.325 0.000 0.686 321 V HN 0.427 nan 8.190 nan 0.000 0.468 322 T N 0.931 115.565 114.554 0.134 0.000 2.737 322 T HA -0.097 4.251 4.350 -0.002 0.000 0.265 322 T C 2.034 176.828 174.700 0.157 0.000 1.038 322 T CA 1.826 64.034 62.100 0.180 0.000 1.144 322 T CB -0.350 68.626 68.868 0.181 0.000 0.866 322 T HN 0.384 nan 8.240 nan 0.000 0.434 323 V N 1.752 121.657 119.914 -0.015 0.000 2.324 323 V HA -0.252 3.866 4.120 -0.002 0.000 0.250 323 V C 2.497 178.644 176.094 0.088 0.000 1.060 323 V CA 1.837 64.103 62.300 -0.056 0.000 1.042 323 V CB -0.669 30.988 31.823 -0.278 0.000 0.650 323 V HN 0.489 nan 8.190 nan 0.000 0.450 324 M N -1.303 118.392 119.600 0.158 0.000 2.117 324 M HA -0.171 4.308 4.480 -0.002 0.000 0.262 324 M C 2.117 178.829 176.300 0.687 0.000 1.065 324 M CA 2.081 57.600 55.300 0.366 0.000 1.114 324 M CB -0.493 32.240 32.600 0.222 0.000 1.361 324 M HN 0.435 nan 8.290 nan 0.000 0.408 325 F N 1.255 121.452 119.950 0.411 0.000 2.146 325 F HA -0.137 4.389 4.527 -0.003 0.000 0.298 325 F C 1.912 177.847 175.800 0.225 0.000 1.096 325 F CA 1.432 59.616 58.000 0.306 0.000 1.275 325 F CB -0.307 38.617 39.000 -0.127 0.000 1.008 325 F HN -0.029 nan 8.300 nan 0.000 0.480 326 I N -0.883 119.635 120.570 -0.087 0.000 2.286 326 I HA -0.317 3.851 4.170 -0.002 0.000 0.248 326 I C 2.268 178.211 176.117 -0.290 0.000 1.115 326 I CA 1.517 62.610 61.300 -0.345 0.000 1.392 326 I CB -0.732 37.076 38.000 -0.320 0.000 1.065 326 I HN 0.214 nan 8.210 nan 0.000 0.418 327 Y N 0.959 121.157 120.300 -0.170 0.000 2.181 327 Y HA -0.372 4.177 4.550 -0.002 0.000 0.288 327 Y C 2.597 178.333 175.900 -0.274 0.000 1.146 327 Y CA 1.768 59.792 58.100 -0.127 0.000 1.164 327 Y CB -0.692 37.806 38.460 0.063 0.000 0.982 327 Y HN 0.271 nan 8.280 nan 0.000 0.515 328 Y N 0.280 120.330 120.300 -0.416 0.000 2.128 328 Y HA -0.289 4.260 4.550 -0.003 0.000 0.284 328 Y C 1.997 177.449 175.900 -0.746 0.000 1.154 328 Y CA 2.033 59.556 58.100 -0.963 0.000 1.149 328 Y CB -0.862 37.282 38.460 -0.527 0.000 0.976 328 Y HN 0.178 nan 8.280 nan 0.000 0.505 329 L N -0.801 119.835 121.223 -0.977 0.000 2.046 329 L HA -0.229 4.109 4.340 -0.002 0.000 0.208 329 L C 2.434 178.941 176.870 -0.605 0.000 1.077 329 L CA 0.915 55.220 54.840 -0.892 0.000 0.747 329 L CB -0.728 40.903 42.059 -0.713 0.000 0.896 329 L HN 0.302 nan 8.230 nan 0.000 0.432 330 L N -0.593 120.326 121.223 -0.507 0.000 2.027 330 L HA -0.142 4.197 4.340 -0.002 0.000 0.206 330 L C 2.432 179.076 176.870 -0.376 0.000 1.074 330 L CA 1.536 56.179 54.840 -0.328 0.000 0.745 330 L CB -0.712 41.202 42.059 -0.241 0.000 0.898 330 L HN -0.037 nan 8.230 nan 0.000 0.433 331 V N -0.492 119.080 119.914 -0.571 0.000 2.515 331 V HA -0.207 3.912 4.120 -0.002 0.000 0.250 331 V C 2.220 178.100 176.094 -0.357 0.000 1.058 331 V CA 1.847 63.853 62.300 -0.490 0.000 1.064 331 V CB -0.890 30.557 31.823 -0.627 0.000 0.675 331 V HN 0.679 nan 8.190 nan 0.000 0.461 332 T N -2.690 111.583 114.554 -0.468 0.000 3.169 332 T HA 0.122 4.470 4.350 -0.002 0.000 0.250 332 T C 0.865 175.401 174.700 -0.274 0.000 1.111 332 T CA -0.126 61.764 62.100 -0.350 0.000 1.010 332 T CB -0.215 68.378 68.868 -0.458 0.000 0.984 332 T HN 0.506 nan 8.240 nan 0.000 0.537 333 R N 0.396 120.743 120.500 -0.256 0.000 3.532 333 R HA -0.162 4.177 4.340 -0.002 0.000 0.284 333 R C 0.611 176.819 176.300 -0.154 0.000 1.140 333 R CA 0.879 56.882 56.100 -0.162 0.000 0.768 333 R CB -2.413 27.819 30.300 -0.112 0.000 1.252 333 R HN 0.553 nan 8.270 nan 0.000 0.454 334 Q N -0.477 119.190 119.800 -0.222 0.000 2.282 334 Q HA 0.280 4.618 4.340 -0.002 0.000 0.206 334 Q C 0.257 176.181 176.000 -0.127 0.000 0.878 334 Q CA 0.336 56.025 55.803 -0.190 0.000 0.944 334 Q CB 1.514 30.083 28.738 -0.283 0.000 1.100 334 Q HN 0.169 nan 8.270 nan 0.000 0.509 335 V N 0.561 120.417 119.914 -0.096 0.000 3.012 335 V HA 0.352 4.471 4.120 -0.002 0.000 0.307 335 V C -1.492 174.664 176.094 0.102 0.000 1.166 335 V CA -0.899 61.415 62.300 0.023 0.000 0.974 335 V CB 2.188 34.054 31.823 0.070 0.000 1.040 335 V HN 0.099 nan 8.190 nan 0.000 0.428 336 L N 4.083 125.404 121.223 0.163 0.000 2.349 336 L HA 0.299 4.637 4.340 -0.002 0.000 0.275 336 L C -0.380 176.696 176.870 0.344 0.000 1.115 336 L CA -0.116 54.846 54.840 0.203 0.000 0.820 336 L CB 0.930 43.078 42.059 0.148 0.000 1.135 336 L HN 0.830 nan 8.230 nan 0.000 0.445 337 W N 5.155 126.548 121.300 0.156 0.000 2.251 337 W HA 0.352 5.011 4.660 -0.003 0.000 0.327 337 W C -0.374 176.231 176.519 0.143 0.000 1.361 337 W CA -0.231 57.241 57.345 0.212 0.000 1.234 337 W CB 0.736 30.266 29.460 0.117 0.000 1.212 337 W HN 0.199 nan 8.180 nan 0.000 0.557 338 V N 7.396 126.997 119.914 -0.522 0.000 2.448 338 V HA 0.285 4.403 4.120 -0.002 0.000 0.295 338 V C -0.425 174.855 176.094 -1.358 0.000 1.025 338 V CA -0.921 60.886 62.300 -0.822 0.000 0.859 338 V CB 1.397 32.797 31.823 -0.706 0.000 0.988 338 V HN 0.560 nan 8.190 nan 0.000 0.431 339 D N 7.311 126.885 120.400 -1.376 0.000 2.412 339 D HA 0.228 4.867 4.640 -0.002 0.000 0.257 339 D C -1.602 174.524 176.300 -0.289 0.000 1.217 339 D CA -1.559 51.865 54.000 -0.960 0.000 0.897 339 D CB 1.894 42.482 40.800 -0.354 0.000 1.132 339 D HN 0.452 nan 8.370 nan 0.000 0.493 340 P HA -0.099 nan 4.420 nan 0.000 0.218 340 P C 1.162 178.680 177.300 0.364 0.000 1.148 340 P CA 0.866 64.027 63.100 0.101 0.000 0.822 340 P CB -0.049 31.586 31.700 -0.108 0.000 0.784 341 W N 0.820 122.206 121.300 0.143 0.000 2.519 341 W HA -0.108 4.550 4.660 -0.003 0.000 0.266 341 W C 2.161 178.729 176.519 0.082 0.000 1.253 341 W CA 1.547 58.995 57.345 0.171 0.000 1.274 341 W CB -0.494 29.045 29.460 0.131 0.000 1.114 341 W HN -0.028 nan 8.180 nan 0.000 0.596 342 S N 0.165 115.931 115.700 0.110 0.000 2.447 342 S HA -0.110 4.359 4.470 -0.002 0.000 0.233 342 S C 0.814 175.303 174.600 -0.184 0.000 1.006 342 S CA 0.297 58.441 58.200 -0.093 0.000 0.957 342 S CB -0.686 62.484 63.200 -0.051 0.000 0.773 342 S HN 0.037 nan 8.310 nan 0.000 0.507 343 L N 3.397 124.554 121.223 -0.111 0.000 2.483 343 L HA 0.326 4.665 4.340 -0.002 0.000 0.276 343 L C -1.823 174.947 176.870 -0.168 0.000 1.213 343 L CA -1.372 53.403 54.840 -0.108 0.000 0.843 343 L CB -0.206 41.844 42.059 -0.015 0.000 1.107 343 L HN 0.175 nan 8.230 nan 0.000 0.487 344 P HA 0.012 nan 4.420 nan 0.000 0.274 344 P C -0.461 176.826 177.300 -0.023 0.000 1.246 344 P CA -0.437 62.604 63.100 -0.099 0.000 0.795 344 P CB 0.292 31.949 31.700 -0.070 0.000 1.006 345 H N 2.028 121.075 119.070 -0.039 0.000 3.193 345 H HA -0.093 4.462 4.556 -0.002 0.000 0.306 345 H C -1.303 173.948 175.328 -0.128 0.000 0.960 345 H CA -0.292 55.729 56.048 -0.045 0.000 1.375 345 H CB -0.131 29.670 29.762 0.065 0.000 1.321 345 H HN 0.199 nan 8.280 nan 0.000 0.578 346 P HA -0.228 nan 4.420 nan 0.000 0.219 346 P C 1.056 178.209 177.300 -0.246 0.000 1.153 346 P CA 2.684 65.633 63.100 -0.251 0.000 0.865 346 P CB -0.044 31.371 31.700 -0.474 0.000 0.788 347 A N -1.423 121.385 122.820 -0.020 0.000 2.067 347 A HA -0.189 4.130 4.320 -0.002 0.000 0.219 347 A C 1.727 179.192 177.584 -0.197 0.000 1.158 347 A CA 1.220 53.151 52.037 -0.176 0.000 0.661 347 A CB -1.314 17.454 19.000 -0.387 0.000 0.801 347 A HN 0.307 nan 8.150 nan 0.000 0.452 348 H N -0.936 118.104 119.070 -0.050 0.000 2.539 348 H HA 0.295 4.849 4.556 -0.002 0.000 0.267 348 H C 0.091 175.371 175.328 -0.080 0.000 0.982 348 H CA 0.115 56.121 56.048 -0.069 0.000 1.146 348 H CB -0.071 29.637 29.762 -0.089 0.000 1.382 348 H HN 0.343 nan 8.280 nan 0.000 0.577 349 L N 1.412 122.641 121.223 0.010 0.000 2.416 349 L HA 0.301 4.639 4.340 -0.002 0.000 0.262 349 L C -1.941 174.885 176.870 -0.073 0.000 1.093 349 L CA -2.074 52.682 54.840 -0.140 0.000 0.801 349 L CB 0.744 42.671 42.059 -0.220 0.000 1.191 349 L HN -0.103 nan 8.230 nan 0.000 0.459 350 P HA 0.116 nan 4.420 nan 0.000 0.268 350 P C -0.072 177.231 177.300 0.004 0.000 1.205 350 P CA -0.224 62.802 63.100 -0.122 0.000 0.771 350 P CB 0.549 32.163 31.700 -0.144 0.000 0.858 351 R N 1.593 121.992 120.500 -0.167 0.000 2.115 351 R HA -0.021 4.317 4.340 -0.002 0.000 0.226 351 R C 0.039 176.026 176.300 -0.522 0.000 1.100 351 R CA 1.324 57.102 56.100 -0.537 0.000 0.980 351 R CB -0.194 29.689 30.300 -0.695 0.000 0.875 351 R HN 0.560 nan 8.270 nan 0.000 0.445 352 Y N 1.100 121.377 120.300 -0.038 0.000 2.361 352 Y HA 0.338 4.887 4.550 -0.002 0.000 0.337 352 Y C -1.995 173.997 175.900 0.154 0.000 0.965 352 Y CA -2.946 55.166 58.100 0.019 0.000 1.091 352 Y CB 1.607 40.047 38.460 -0.034 0.000 1.182 352 Y HN -0.032 nan 8.280 nan 0.000 0.450 353 P HA 0.097 nan 4.420 nan 0.000 0.274 353 P C -0.881 176.698 177.300 0.464 0.000 1.231 353 P CA -0.317 63.026 63.100 0.404 0.000 0.790 353 P CB 1.249 33.154 31.700 0.341 0.000 0.951 354 D N 0.952 121.543 120.400 0.319 0.000 2.302 354 D HA 0.157 4.796 4.640 -0.002 0.000 0.248 354 D C 0.062 176.389 176.300 0.045 0.000 1.094 354 D CA -0.137 53.995 54.000 0.220 0.000 0.897 354 D CB 0.259 41.121 40.800 0.103 0.000 1.200 354 D HN 0.230 nan 8.370 nan 0.000 0.429 355 F N 1.655 121.354 119.950 -0.418 0.000 2.608 355 F HA -0.001 4.524 4.527 -0.003 0.000 0.380 355 F C 0.603 176.159 175.800 -0.407 0.000 1.083 355 F CA 0.249 57.674 58.000 -0.959 0.000 1.266 355 F CB 0.495 39.036 39.000 -0.765 0.000 1.076 355 F HN -0.003 nan 8.300 nan 0.000 0.574 356 S N 8.049 123.170 115.700 -0.965 0.000 2.577 356 S HA 0.460 4.928 4.470 -0.002 0.000 0.294 356 S C -2.632 171.404 174.600 -0.940 0.000 1.161 356 S CA -1.764 56.071 58.200 -0.608 0.000 1.143 356 S CB 0.242 63.364 63.200 -0.131 0.000 0.991 356 S HN 0.377 nan 8.310 nan 0.000 0.475 357 P HA -0.057 nan 4.420 nan 0.000 0.261 357 P C -0.620 176.203 177.300 -0.796 0.000 1.165 357 P CA -0.167 62.404 63.100 -0.881 0.000 0.759 357 P CB 0.271 31.485 31.700 -0.811 0.000 0.772 358 L N 6.345 127.230 121.223 -0.565 0.000 2.395 358 L HA 0.209 4.548 4.340 -0.002 0.000 0.268 358 L C -0.637 176.083 176.870 -0.250 0.000 1.223 358 L CA -0.375 54.231 54.840 -0.390 0.000 1.093 358 L CB -1.664 40.225 42.059 -0.283 0.000 1.349 358 L HN 0.204 nan 8.230 nan 0.000 0.427 359 Y N 1.674 121.939 120.300 -0.058 0.000 2.457 359 Y HA 0.093 4.642 4.550 -0.002 0.000 0.341 359 Y C 1.117 177.098 175.900 0.135 0.000 1.240 359 Y CA -0.226 57.888 58.100 0.023 0.000 1.437 359 Y CB 0.168 38.630 38.460 0.003 0.000 1.328 359 Y HN 0.499 nan 8.280 nan 0.000 0.588 360 D N 1.034 121.609 120.400 0.292 0.000 2.368 360 D HA 0.192 4.831 4.640 -0.002 0.000 0.240 360 D C -0.025 176.371 176.300 0.160 0.000 1.169 360 D CA 0.161 54.274 54.000 0.188 0.000 0.906 360 D CB 0.700 41.557 40.800 0.095 0.000 1.187 360 D HN 0.654 nan 8.370 nan 0.000 0.435 361 C N -0.843 118.505 119.300 0.078 0.000 3.028 361 C HA 0.548 5.006 4.460 -0.002 0.000 0.338 361 C C 0.053 175.055 174.990 0.021 0.000 1.366 361 C CA -1.053 58.005 59.018 0.066 0.000 1.610 361 C CB 0.875 28.674 27.740 0.098 0.000 2.063 361 C HN 0.571 nan 8.230 nan 0.000 0.463 362 D N 1.886 122.302 120.400 0.026 0.000 2.417 362 D HA 0.279 4.918 4.640 -0.002 0.000 0.250 362 D C -1.134 175.180 176.300 0.023 0.000 1.166 362 D CA -0.922 53.093 54.000 0.024 0.000 0.881 362 D CB 0.947 41.765 40.800 0.030 0.000 1.164 362 D HN 0.403 nan 8.370 nan 0.000 0.467 363 P HA -0.125 nan 4.420 nan 0.000 0.219 363 P C 1.156 178.504 177.300 0.079 0.000 1.150 363 P CA 0.960 64.078 63.100 0.030 0.000 0.814 363 P CB 0.112 31.824 31.700 0.020 0.000 0.787 364 T N 0.594 115.200 114.554 0.086 0.000 2.684 364 T HA -0.157 4.192 4.350 -0.002 0.000 0.267 364 T C 1.719 176.483 174.700 0.106 0.000 1.036 364 T CA 1.530 63.705 62.100 0.124 0.000 1.148 364 T CB -0.637 68.296 68.868 0.109 0.000 0.863 364 T HN 0.342 nan 8.240 nan 0.000 0.436 365 E N 0.457 120.700 120.200 0.072 0.000 2.110 365 E HA -0.087 4.262 4.350 -0.002 0.000 0.193 365 E C 2.113 178.756 176.600 0.071 0.000 0.988 365 E CA 0.631 57.068 56.400 0.061 0.000 0.804 365 E CB -0.209 29.521 29.700 0.050 0.000 0.745 365 E HN 0.198 nan 8.360 nan 0.000 0.458 366 L N 0.790 122.056 121.223 0.071 0.000 2.005 366 L HA -0.031 4.308 4.340 -0.002 0.000 0.207 366 L C 2.212 179.137 176.870 0.092 0.000 1.072 366 L CA 2.313 57.194 54.840 0.068 0.000 0.744 366 L CB -1.138 40.939 42.059 0.031 0.000 0.895 366 L HN 0.089 nan 8.230 nan 0.000 0.433 367 G N -0.668 108.222 108.800 0.148 0.000 2.446 367 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.217 367 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.217 367 G C 1.750 176.724 174.900 0.123 0.000 1.168 367 G CA 0.859 46.100 45.100 0.235 0.000 0.771 367 G HN 0.425 nan 8.290 nan 0.000 0.551 368 R N -0.710 119.787 120.500 -0.005 0.000 2.092 368 R HA 0.062 4.400 4.340 -0.002 0.000 0.231 368 R C 2.450 178.749 176.300 -0.001 0.000 1.119 368 R CA 0.837 56.817 56.100 -0.200 0.000 0.970 368 R CB -0.461 29.736 30.300 -0.172 0.000 0.864 368 R HN 0.334 nan 8.270 nan 0.000 0.440 369 L N 0.756 122.026 121.223 0.078 0.000 2.056 369 L HA -0.113 4.226 4.340 -0.002 0.000 0.207 369 L C 2.036 178.986 176.870 0.134 0.000 1.078 369 L CA 1.385 56.338 54.840 0.188 0.000 0.749 369 L CB -0.472 41.716 42.059 0.215 0.000 0.901 369 L HN 0.109 nan 8.230 nan 0.000 0.433 370 L N -0.941 120.283 121.223 0.001 0.000 2.017 370 L HA -0.238 4.101 4.340 -0.002 0.000 0.208 370 L C 2.582 179.284 176.870 -0.280 0.000 1.073 370 L CA 2.251 56.959 54.840 -0.219 0.000 0.745 370 L CB -0.928 41.012 42.059 -0.199 0.000 0.894 370 L HN 0.550 nan 8.230 nan 0.000 0.432 371 H N -0.906 118.095 119.070 -0.116 0.000 2.352 371 H HA -0.090 4.465 4.556 -0.002 0.000 0.299 371 H C 2.043 177.353 175.328 -0.030 0.000 1.097 371 H CA 1.942 57.998 56.048 0.013 0.000 1.311 371 H CB -0.576 29.183 29.762 -0.004 0.000 1.377 371 H HN 0.396 nan 8.280 nan 0.000 0.504 372 G N -0.543 108.197 108.800 -0.100 0.000 2.422 372 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.218 372 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.218 372 G C 1.686 176.263 174.900 -0.538 0.000 1.146 372 G CA 0.705 45.726 45.100 -0.131 0.000 0.769 372 G HN 0.534 nan 8.290 nan 0.000 0.547 373 F N 1.044 120.440 119.950 -0.922 0.000 2.102 373 F HA 0.001 4.526 4.527 -0.003 0.000 0.298 373 F C 2.219 177.792 175.800 -0.378 0.000 1.105 373 F CA 1.201 58.580 58.000 -1.035 0.000 1.239 373 F CB -0.262 38.376 39.000 -0.605 0.000 0.991 373 F HN 0.100 nan 8.300 nan 0.000 0.474 374 F N 0.559 120.333 119.950 -0.294 0.000 2.134 374 F HA -0.198 4.328 4.527 -0.003 0.000 0.299 374 F C 2.456 178.079 175.800 -0.295 0.000 1.097 374 F CA 0.842 58.678 58.000 -0.273 0.000 1.264 374 F CB -1.184 37.688 39.000 -0.215 0.000 1.001 374 F HN -0.023 nan 8.300 nan 0.000 0.479 375 I N -0.848 119.624 120.570 -0.163 0.000 2.226 375 I HA -0.318 3.850 4.170 -0.002 0.000 0.245 375 I C 2.473 178.519 176.117 -0.119 0.000 1.100 375 I CA 1.395 62.603 61.300 -0.153 0.000 1.374 375 I CB -1.338 36.583 38.000 -0.132 0.000 1.057 375 I HN 0.105 nan 8.210 nan 0.000 0.413 376 F N 1.367 121.146 119.950 -0.285 0.000 2.091 376 F HA -0.300 4.225 4.527 -0.003 0.000 0.299 376 F C 2.408 177.911 175.800 -0.495 0.000 1.103 376 F CA 1.899 59.717 58.000 -0.304 0.000 1.228 376 F CB -0.553 38.166 39.000 -0.469 0.000 0.984 376 F HN 0.011 nan 8.300 nan 0.000 0.477 377 Y N -0.374 119.667 120.300 -0.432 0.000 2.475 377 Y HA 0.155 4.704 4.550 -0.002 0.000 0.289 377 Y C 2.384 178.024 175.900 -0.433 0.000 1.121 377 Y CA 0.646 58.344 58.100 -0.670 0.000 1.257 377 Y CB -1.062 36.539 38.460 -1.432 0.000 1.026 377 Y HN 0.141 nan 8.280 nan 0.000 0.555 378 A N -0.654 122.002 122.820 -0.273 0.000 1.898 378 A HA -0.140 4.178 4.320 -0.002 0.000 0.216 378 A C 1.482 178.754 177.584 -0.520 0.000 1.181 378 A CA 1.982 53.785 52.037 -0.391 0.000 0.620 378 A CB -0.343 18.274 19.000 -0.638 0.000 0.819 378 A HN 0.462 nan 8.150 nan 0.000 0.442 379 H N -3.480 115.411 119.070 -0.299 0.000 3.400 379 H HA 0.179 4.734 4.556 -0.002 0.000 0.251 379 H C 0.396 175.377 175.328 -0.578 0.000 1.040 379 H CA 0.456 56.225 56.048 -0.466 0.000 1.175 379 H CB 0.356 29.696 29.762 -0.703 0.000 1.487 379 H HN 0.570 nan 8.280 nan 0.000 0.505 380 H N -0.911 118.001 119.070 -0.264 0.000 2.674 380 H HA 0.146 4.701 4.556 -0.002 0.000 0.274 380 H C -0.695 174.212 175.328 -0.701 0.000 1.121 380 H CA -0.237 55.565 56.048 -0.410 0.000 1.132 380 H CB 0.616 30.168 29.762 -0.351 0.000 1.606 380 H HN 0.060 nan 8.280 nan 0.000 0.558 381 F N 2.225 121.721 119.950 -0.758 0.000 2.449 381 F HA 0.254 4.779 4.527 -0.003 0.000 0.342 381 F C -0.195 175.314 175.800 -0.485 0.000 1.127 381 F CA -1.163 56.400 58.000 -0.729 0.000 0.975 381 F CB 1.245 39.713 39.000 -0.886 0.000 1.146 381 F HN -0.180 nan 8.300 nan 0.000 0.444 382 D N 5.626 125.530 120.400 -0.827 0.000 2.453 382 D HA 0.028 4.666 4.640 -0.002 0.000 0.223 382 D C 0.696 176.700 176.300 -0.493 0.000 1.183 382 D CA 0.195 53.930 54.000 -0.442 0.000 0.933 382 D CB 0.057 40.718 40.800 -0.232 0.000 1.038 382 D HN 0.582 nan 8.370 nan 0.000 0.513 383 Y N 1.657 121.950 120.300 -0.012 0.000 2.256 383 Y HA -0.158 4.390 4.550 -0.003 0.000 0.288 383 Y C 2.154 178.155 175.900 0.168 0.000 1.155 383 Y CA 1.048 59.307 58.100 0.265 0.000 1.203 383 Y CB 0.027 38.793 38.460 0.509 0.000 0.980 383 Y HN 0.445 nan 8.280 nan 0.000 0.530 384 E N -0.407 119.938 120.200 0.242 0.000 2.204 384 E HA -0.135 4.213 4.350 -0.002 0.000 0.194 384 E C 1.847 178.519 176.600 0.121 0.000 0.989 384 E CA 0.923 57.427 56.400 0.173 0.000 0.824 384 E CB -0.015 29.767 29.700 0.137 0.000 0.756 384 E HN 0.517 nan 8.360 nan 0.000 0.477 385 R N -0.268 120.277 120.500 0.075 0.000 2.412 385 R HA 0.177 4.516 4.340 -0.002 0.000 0.212 385 R C 0.649 177.038 176.300 0.149 0.000 0.878 385 R CA -0.094 56.076 56.100 0.116 0.000 1.022 385 R CB 0.758 31.128 30.300 0.118 0.000 1.265 385 R HN -0.028 nan 8.270 nan 0.000 0.620 386 E N 1.048 121.191 120.200 -0.094 0.000 2.283 386 E HA 0.354 4.703 4.350 -0.002 0.000 0.267 386 E C -1.185 175.351 176.600 -0.107 0.000 1.045 386 E CA -0.485 55.701 56.400 -0.358 0.000 0.884 386 E CB 1.608 30.750 29.700 -0.929 0.000 1.106 386 E HN -0.223 nan 8.360 nan 0.000 0.408 387 V N 3.458 123.326 119.914 -0.077 0.000 2.577 387 V HA 0.164 4.282 4.120 -0.002 0.000 0.303 387 V C -0.464 175.556 176.094 -0.123 0.000 1.042 387 V CA -0.935 61.411 62.300 0.076 0.000 0.872 387 V CB 1.824 33.610 31.823 -0.060 0.000 0.998 387 V HN 0.509 nan 8.190 nan 0.000 0.423 388 V N 4.267 124.092 119.914 -0.148 0.000 2.450 388 V HA 0.404 4.523 4.120 -0.002 0.000 0.281 388 V C 0.508 176.263 176.094 -0.565 0.000 1.019 388 V CA 0.767 62.597 62.300 -0.782 0.000 1.062 388 V CB 0.875 32.420 31.823 -0.465 0.000 0.979 388 V HN 0.945 nan 8.190 nan 0.000 0.477 389 S N 4.618 119.945 115.700 -0.622 0.000 2.535 389 S HA 0.527 4.995 4.470 -0.002 0.000 0.272 389 S C -0.103 174.550 174.600 0.089 0.000 1.149 389 S CA -0.743 57.354 58.200 -0.170 0.000 0.888 389 S CB 1.506 64.617 63.200 -0.148 0.000 1.110 389 S HN 0.523 nan 8.310 nan 0.000 0.463 390 L N 3.975 125.258 121.223 0.100 0.000 2.628 390 L HA 0.317 4.656 4.340 -0.002 0.000 0.229 390 L C 1.595 178.703 176.870 0.397 0.000 1.137 390 L CA -0.027 54.952 54.840 0.231 0.000 0.909 390 L CB -0.289 41.851 42.059 0.135 0.000 1.137 390 L HN 0.640 nan 8.230 nan 0.000 0.470 391 N N 0.634 119.486 118.700 0.252 0.000 2.422 391 N HA 0.074 4.813 4.740 -0.002 0.000 0.181 391 N C 0.383 176.098 175.510 0.341 0.000 1.080 391 N CA 0.349 53.571 53.050 0.287 0.000 0.893 391 N CB 0.634 39.172 38.487 0.085 0.000 0.973 391 N HN 0.347 nan 8.380 nan 0.000 0.456 392 R N 0.045 120.615 120.500 0.116 0.000 2.808 392 R HA 0.218 4.556 4.340 -0.002 0.000 0.272 392 R C -0.691 175.081 176.300 -0.880 0.000 0.995 392 R CA -0.671 55.211 56.100 -0.362 0.000 0.917 392 R CB 1.056 31.222 30.300 -0.223 0.000 1.217 392 R HN -0.166 nan 8.270 nan 0.000 0.471 393 N N 2.251 120.153 118.700 -1.329 0.000 3.091 393 N HA 0.084 4.823 4.740 -0.002 0.000 0.301 393 N C -1.239 173.991 175.510 -0.467 0.000 1.325 393 N CA -0.156 52.215 53.050 -1.132 0.000 1.143 393 N CB -0.180 37.676 38.487 -1.051 0.000 1.450 393 N HN 0.549 nan 8.380 nan 0.000 0.542 394 R N -1.595 118.713 120.500 -0.321 0.000 2.829 394 R HA 0.315 4.654 4.340 -0.002 0.000 0.284 394 R C -1.069 175.170 176.300 -0.101 0.000 1.006 394 R CA -0.956 55.041 56.100 -0.172 0.000 0.844 394 R CB 0.697 30.922 30.300 -0.124 0.000 1.309 394 R HN -0.086 nan 8.270 nan 0.000 0.494 395 R N 0.874 121.333 120.500 -0.069 0.000 2.640 395 R HA 0.216 4.554 4.340 -0.002 0.000 0.270 395 R C -0.431 175.765 176.300 -0.174 0.000 1.024 395 R CA 0.386 56.458 56.100 -0.048 0.000 1.085 395 R CB 0.673 30.900 30.300 -0.122 0.000 0.963 395 R HN 0.462 nan 8.270 nan 0.000 0.426 396 S N 0.953 116.530 115.700 -0.206 0.000 2.638 396 S HA 0.548 5.016 4.470 -0.002 0.000 0.298 396 S C -1.233 172.960 174.600 -0.678 0.000 1.111 396 S CA -0.597 57.419 58.200 -0.306 0.000 1.027 396 S CB 0.813 63.916 63.200 -0.162 0.000 1.064 396 S HN 0.341 nan 8.310 nan 0.000 0.525 397 Y N -0.032 120.236 120.300 -0.054 0.000 2.605 397 Y HA 0.433 4.981 4.550 -0.003 0.000 0.343 397 Y C 1.317 177.167 175.900 -0.083 0.000 1.036 397 Y CA -1.064 57.000 58.100 -0.061 0.000 1.065 397 Y CB 1.046 39.468 38.460 -0.064 0.000 1.288 397 Y HN 0.522 nan 8.280 nan 0.000 0.481 398 R N -0.060 120.509 120.500 0.114 0.000 2.127 398 R HA -0.159 4.179 4.340 -0.002 0.000 0.238 398 R C 1.956 178.234 176.300 -0.037 0.000 1.134 398 R CA 1.793 57.925 56.100 0.053 0.000 0.975 398 R CB -0.239 30.126 30.300 0.108 0.000 0.865 398 R HN 0.761 nan 8.270 nan 0.000 0.447 399 S N 0.685 116.384 115.700 -0.002 0.000 2.447 399 S HA -0.123 4.346 4.470 -0.002 0.000 0.233 399 S C 1.257 175.818 174.600 -0.064 0.000 1.006 399 S CA 1.166 59.341 58.200 -0.041 0.000 0.957 399 S CB -0.071 63.110 63.200 -0.032 0.000 0.773 399 S HN 0.206 nan 8.310 nan 0.000 0.507 400 D N 2.180 122.542 120.400 -0.063 0.000 2.178 400 D HA 0.000 4.639 4.640 -0.002 0.000 0.202 400 D C 1.647 177.843 176.300 -0.174 0.000 0.974 400 D CA 1.515 55.454 54.000 -0.101 0.000 0.841 400 D CB -0.095 40.646 40.800 -0.098 0.000 0.953 400 D HN 0.793 nan 8.370 nan 0.000 0.478 401 I N -5.453 114.950 120.570 -0.279 0.000 4.160 401 I HA 0.407 4.575 4.170 -0.002 0.000 0.325 401 I C 0.730 176.650 176.117 -0.329 0.000 1.455 401 I CA -0.108 60.957 61.300 -0.392 0.000 1.142 401 I CB 0.812 38.380 38.000 -0.719 0.000 1.262 401 I HN -0.078 nan 8.210 nan 0.000 0.483 402 G N 1.333 110.010 108.800 -0.204 0.000 2.212 402 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.255 402 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.255 402 G C -0.411 174.376 174.900 -0.188 0.000 1.062 402 G CA 0.109 45.129 45.100 -0.134 0.000 0.815 402 G HN 0.513 nan 8.290 nan 0.000 0.497 403 W N 0.627 121.620 121.300 -0.512 0.000 2.937 403 W HA 0.383 5.042 4.660 -0.001 0.000 0.435 403 W C 0.481 176.569 176.519 -0.718 0.000 0.912 403 W CA -1.688 55.170 57.345 -0.811 0.000 2.209 403 W CB -0.752 28.608 29.460 -0.166 0.000 1.144 403 W HN 0.312 nan 8.180 nan 0.000 0.762 404 N N 0.891 119.296 118.700 -0.493 0.000 2.918 404 N HA 0.197 4.936 4.740 -0.002 0.000 0.247 404 N C -0.766 174.544 175.510 -0.333 0.000 1.117 404 N CA -0.226 52.659 53.050 -0.276 0.000 1.005 404 N CB 0.105 38.513 38.487 -0.132 0.000 1.297 404 N HN -0.280 nan 8.380 nan 0.000 0.513 405 F N 1.168 121.097 119.950 -0.035 0.000 2.403 405 F HA 0.447 4.974 4.527 -0.001 0.000 0.326 405 F C -1.634 174.153 175.800 -0.022 0.000 1.081 405 F CA -2.674 55.284 58.000 -0.070 0.000 1.041 405 F CB 0.270 39.164 39.000 -0.177 0.000 1.234 405 F HN 0.201 nan 8.300 nan 0.000 0.503 406 P HA 0.099 nan 4.420 nan 0.000 0.267 406 P C -0.767 176.598 177.300 0.110 0.000 1.205 406 P CA 0.126 63.293 63.100 0.112 0.000 0.765 406 P CB 0.407 32.154 31.700 0.077 0.000 0.828 407 Q N 1.611 121.466 119.800 0.090 0.000 2.450 407 Q HA -0.276 4.062 4.340 -0.002 0.000 0.255 407 Q C -0.022 176.046 176.000 0.113 0.000 1.003 407 Q CA 0.807 56.660 55.803 0.084 0.000 1.097 407 Q CB -2.344 26.427 28.738 0.055 0.000 1.544 407 Q HN 0.451 nan 8.270 nan 0.000 0.531 408 N N -0.927 117.872 118.700 0.164 0.000 2.721 408 N HA -0.172 4.567 4.740 -0.002 0.000 0.249 408 N C -1.121 174.543 175.510 0.257 0.000 1.072 408 N CA 1.545 54.736 53.050 0.235 0.000 0.710 408 N CB -0.247 38.343 38.487 0.171 0.000 0.993 408 N HN 0.330 nan 8.380 nan 0.000 0.547 409 K N 0.450 120.951 120.400 0.167 0.000 2.427 409 K HA 0.406 4.725 4.320 -0.002 0.000 0.252 409 K C 0.047 176.528 176.600 -0.199 0.000 0.931 409 K CA -0.556 55.771 56.287 0.067 0.000 0.793 409 K CB 2.585 35.090 32.500 0.008 0.000 1.211 409 K HN 0.113 nan 8.250 nan 0.000 0.426 410 K N 1.230 121.463 120.400 -0.278 0.000 2.559 410 K HA 0.382 4.701 4.320 -0.002 0.000 0.249 410 K C 0.467 176.907 176.600 -0.268 0.000 0.958 410 K CA 0.017 55.990 56.287 -0.522 0.000 0.901 410 K CB 0.826 32.731 32.500 -0.991 0.000 1.124 410 K HN 0.744 nan 8.250 nan 0.000 0.437 411 G N 2.271 110.926 108.800 -0.242 0.000 2.651 411 G HA2 -0.462 3.496 3.960 -0.002 0.000 0.315 411 G HA3 -0.462 3.496 3.960 -0.002 0.000 0.315 411 G C 0.833 175.601 174.900 -0.220 0.000 1.258 411 G CA 0.961 45.919 45.100 -0.236 0.000 1.002 411 G HN 0.779 nan 8.290 nan 0.000 0.551 412 T N -1.663 112.702 114.554 -0.316 0.000 3.113 412 T HA 0.443 4.791 4.350 -0.002 0.000 0.256 412 T C 0.743 175.419 174.700 -0.040 0.000 1.131 412 T CA 0.883 62.855 62.100 -0.213 0.000 1.074 412 T CB -0.069 68.678 68.868 -0.201 0.000 0.944 412 T HN 0.395 nan 8.240 nan 0.000 0.516 413 F N 2.498 122.406 119.950 -0.069 0.000 2.384 413 F HA 0.621 5.148 4.527 -0.000 0.000 0.338 413 F C 0.811 176.536 175.800 -0.125 0.000 1.103 413 F CA -2.003 55.909 58.000 -0.145 0.000 1.157 413 F CB 1.031 39.889 39.000 -0.236 0.000 1.167 413 F HN -0.029 nan 8.300 nan 0.000 0.529 414 S N 2.225 117.922 115.700 -0.005 0.000 2.617 414 S HA 0.451 4.920 4.470 -0.002 0.000 0.283 414 S C -0.748 173.596 174.600 -0.426 0.000 1.189 414 S CA -0.351 57.836 58.200 -0.022 0.000 1.036 414 S CB 0.722 64.013 63.200 0.150 0.000 1.014 414 S HN 0.504 nan 8.310 nan 0.000 0.522 415 Y N 0.857 121.135 120.300 -0.036 0.000 2.666 415 Y HA 0.253 4.801 4.550 -0.003 0.000 0.264 415 Y C 0.947 176.837 175.900 -0.017 0.000 1.054 415 Y CA -0.561 57.521 58.100 -0.030 0.000 1.121 415 Y CB -0.502 38.004 38.460 0.077 0.000 1.190 415 Y HN 0.609 nan 8.280 nan 0.000 0.587 416 N N 0.521 119.171 118.700 -0.084 0.000 2.135 416 N HA -0.111 4.627 4.740 -0.002 0.000 0.186 416 N C -0.318 174.908 175.510 -0.472 0.000 1.027 416 N CA 0.845 53.636 53.050 -0.432 0.000 0.849 416 N CB 0.189 38.216 38.487 -0.766 0.000 1.002 416 N HN 0.075 nan 8.380 nan 0.000 0.425 417 F N 1.507 121.224 119.950 -0.388 0.000 2.427 417 F HA 0.425 4.951 4.527 -0.003 0.000 0.348 417 F C -1.096 174.760 175.800 0.092 0.000 1.125 417 F CA -2.128 55.894 58.000 0.036 0.000 0.989 417 F CB 0.375 39.502 39.000 0.212 0.000 1.165 417 F HN -0.073 nan 8.300 nan 0.000 0.442 418 C N 7.679 127.175 119.300 0.328 0.000 2.273 418 C HA 0.665 5.123 4.460 -0.002 0.000 0.328 418 C C 0.129 175.134 174.990 0.024 0.000 1.275 418 C CA -0.779 58.397 59.018 0.263 0.000 1.704 418 C CB -0.545 27.559 27.740 0.608 0.000 2.326 418 C HN 0.610 nan 8.230 nan 0.000 0.517 419 I N 2.869 123.413 120.570 -0.043 0.000 2.476 419 I HA 0.259 4.428 4.170 -0.002 0.000 0.281 419 I C -0.009 176.147 176.117 0.066 0.000 1.040 419 I CA -0.140 61.063 61.300 -0.161 0.000 1.094 419 I CB 1.139 38.905 38.000 -0.391 0.000 1.219 419 I HN 0.655 nan 8.210 nan 0.000 0.450 420 E N 6.407 126.621 120.200 0.024 0.000 2.257 420 E HA 0.021 4.370 4.350 -0.002 0.000 0.278 420 E C -0.450 176.151 176.600 0.003 0.000 1.049 420 E CA -0.389 56.032 56.400 0.034 0.000 0.876 420 E CB 0.885 30.454 29.700 -0.219 0.000 1.035 420 E HN 0.511 nan 8.360 nan 0.000 0.419 421 D N 5.679 126.124 120.400 0.074 0.000 2.425 421 D HA 0.003 4.641 4.640 -0.002 0.000 0.247 421 D C -1.466 174.828 176.300 -0.011 0.000 1.147 421 D CA -1.559 52.477 54.000 0.059 0.000 0.879 421 D CB 1.352 42.217 40.800 0.109 0.000 1.179 421 D HN 0.381 nan 8.370 nan 0.000 0.456 422 P HA -0.116 nan 4.420 nan 0.000 0.222 422 P C 0.251 177.275 177.300 -0.461 0.000 1.147 422 P CA 1.162 64.064 63.100 -0.330 0.000 0.790 422 P CB 0.198 31.582 31.700 -0.527 0.000 0.780 423 Y N -1.056 119.300 120.300 0.093 0.000 2.652 423 Y HA 0.259 4.807 4.550 -0.003 0.000 0.274 423 Y C 1.138 176.956 175.900 -0.137 0.000 1.148 423 Y CA -0.574 57.564 58.100 0.063 0.000 1.219 423 Y CB -0.409 38.173 38.460 0.203 0.000 1.337 423 Y HN -0.171 nan 8.280 nan 0.000 0.490 424 E N 2.310 122.408 120.200 -0.170 0.000 2.324 424 E HA 0.003 4.351 4.350 -0.002 0.000 0.271 424 E C -0.537 175.988 176.600 -0.125 0.000 1.028 424 E CA 0.425 56.562 56.400 -0.439 0.000 0.890 424 E CB 0.261 29.709 29.700 -0.420 0.000 1.004 424 E HN 0.252 nan 8.360 nan 0.000 0.431 425 D N 0.513 120.864 120.400 -0.082 0.000 3.012 425 D HA -0.165 4.474 4.640 -0.002 0.000 0.222 425 D C -0.279 176.071 176.300 0.083 0.000 1.167 425 D CA 0.515 54.542 54.000 0.044 0.000 0.854 425 D CB -1.425 39.428 40.800 0.089 0.000 1.107 425 D HN 0.145 nan 8.370 nan 0.000 0.421 426 V N -0.041 119.913 119.914 0.067 0.000 2.599 426 V HA 0.355 4.474 4.120 -0.002 0.000 0.300 426 V C 1.972 178.112 176.094 0.077 0.000 1.034 426 V CA 1.408 63.752 62.300 0.074 0.000 1.115 426 V CB 1.041 32.917 31.823 0.088 0.000 0.934 426 V HN 0.589 nan 8.190 nan 0.000 0.485 427 G N 4.185 113.019 108.800 0.058 0.000 2.205 427 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.261 427 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.261 427 G C 0.637 175.578 174.900 0.068 0.000 0.980 427 G CA 0.758 45.889 45.100 0.051 0.000 0.632 427 G HN 1.365 nan 8.290 nan 0.000 0.533 428 T N -3.408 111.201 114.554 0.092 0.000 3.288 428 T HA 0.587 4.935 4.350 -0.002 0.000 0.293 428 T C 1.645 176.433 174.700 0.146 0.000 1.008 428 T CA 1.314 63.476 62.100 0.105 0.000 0.929 428 T CB 0.715 69.642 68.868 0.098 0.000 1.152 428 T HN 2.115 nan 8.240 nan 0.000 0.517 429 G N 0.106 109.016 108.800 0.183 0.000 2.380 429 G HA2 0.351 4.309 3.960 -0.002 0.000 0.197 429 G HA3 0.351 4.309 3.960 -0.002 0.000 0.197 429 G C 0.785 175.975 174.900 0.483 0.000 1.001 429 G CA 0.150 45.428 45.100 0.298 0.000 0.668 429 G HN 1.882 nan 8.290 nan 0.000 0.483 430 G N -0.977 108.040 108.800 0.361 0.000 2.758 430 G HA2 0.290 4.249 3.960 -0.002 0.000 0.686 430 G HA3 0.290 4.249 3.960 -0.002 0.000 0.686 430 G C -0.722 174.481 174.900 0.505 0.000 1.389 430 G CA 0.041 45.414 45.100 0.454 0.000 0.845 430 G HN 1.715 nan 8.290 nan 0.000 0.572 431 L N 0.819 122.286 121.223 0.406 0.000 2.333 431 L HA 0.744 5.083 4.340 -0.002 0.000 0.280 431 L C -0.096 176.904 176.870 0.217 0.000 1.004 431 L CA -1.234 53.724 54.840 0.197 0.000 0.820 431 L CB 1.760 43.852 42.059 0.056 0.000 1.247 431 L HN 0.787 nan 8.230 nan 0.000 0.416 432 N N 4.460 123.081 118.700 -0.133 0.000 2.414 432 N HA 0.239 4.978 4.740 -0.002 0.000 0.256 432 N C 0.709 176.019 175.510 -0.333 0.000 1.029 432 N CA -0.168 52.709 53.050 -0.289 0.000 0.948 432 N CB 0.726 38.636 38.487 -0.963 0.000 1.102 432 N HN 0.770 nan 8.380 nan 0.000 0.496 433 L N 3.096 124.206 121.223 -0.188 0.000 2.275 433 L HA -0.052 4.286 4.340 -0.002 0.000 0.215 433 L C 1.926 178.641 176.870 -0.257 0.000 1.119 433 L CA 0.827 55.552 54.840 -0.192 0.000 0.790 433 L CB -0.508 41.460 42.059 -0.151 0.000 0.919 433 L HN 0.514 nan 8.230 nan 0.000 0.443 434 V N 0.700 120.408 119.914 -0.344 0.000 3.620 434 V HA -0.072 4.047 4.120 -0.002 0.000 0.286 434 V C 2.414 178.280 176.094 -0.379 0.000 1.288 434 V CA 0.634 62.750 62.300 -0.306 0.000 1.178 434 V CB -0.824 nan 31.823 nan 0.000 0.986 434 V HN 0.424 nan 8.190 nan 0.000 0.431 435 R N -1.230 118.910 120.500 -0.600 0.000 2.241 435 R HA -0.110 4.228 4.340 -0.002 0.000 0.224 435 R C 1.260 177.200 176.300 -0.601 0.000 1.101 435 R CA 1.620 57.240 56.100 -0.799 0.000 0.995 435 R CB -0.420 29.142 30.300 -1.231 0.000 0.870 435 R HN 0.699 nan 8.270 nan 0.000 0.463 436 H N 0.073 118.991 119.070 -0.253 0.000 2.551 436 H HA 0.194 4.748 4.556 -0.003 0.000 0.271 436 H C -0.273 174.765 175.328 -0.484 0.000 0.984 436 H CA -0.260 55.610 56.048 -0.296 0.000 1.164 436 H CB 0.505 30.154 29.762 -0.188 0.000 1.437 436 H HN 0.021 nan 8.280 nan 0.000 0.550 437 L N 2.521 123.625 121.223 -0.198 0.000 2.328 437 L HA 0.129 4.468 4.340 -0.002 0.000 0.280 437 L C 0.381 177.246 176.870 -0.010 0.000 1.111 437 L CA -0.296 54.500 54.840 -0.074 0.000 0.909 437 L CB -0.564 41.580 42.059 0.141 0.000 1.277 437 L HN 0.209 nan 8.230 nan 0.000 0.433 438 H N 3.565 122.698 119.070 0.106 0.000 2.597 438 H HA 0.126 4.681 4.556 -0.002 0.000 0.370 438 H C -1.328 174.085 175.328 0.142 0.000 1.281 438 H CA -1.588 54.516 56.048 0.093 0.000 1.422 438 H CB 0.224 30.034 29.762 0.081 0.000 1.524 438 H HN 0.326 nan 8.280 nan 0.000 0.607 439 P HA -0.277 nan 4.420 nan 0.000 0.216 439 P C 1.125 178.569 177.300 0.240 0.000 1.157 439 P CA 2.200 65.456 63.100 0.260 0.000 0.880 439 P CB -0.006 31.801 31.700 0.177 0.000 0.791 440 A N -0.752 122.167 122.820 0.165 0.000 1.873 440 A HA -0.194 4.124 4.320 -0.002 0.000 0.215 440 A C 2.271 179.900 177.584 0.075 0.000 1.186 440 A CA 2.002 54.097 52.037 0.097 0.000 0.616 440 A CB -1.105 17.940 19.000 0.075 0.000 0.823 440 A HN 0.030 nan 8.150 nan 0.000 0.442 441 K N -0.586 119.875 120.400 0.102 0.000 2.097 441 K HA -0.111 4.208 4.320 -0.002 0.000 0.206 441 K C 1.566 178.218 176.600 0.087 0.000 1.049 441 K CA 1.490 57.815 56.287 0.064 0.000 0.933 441 K CB -0.709 31.817 32.500 0.044 0.000 0.717 441 K HN 0.383 nan 8.250 nan 0.000 0.442 442 F N 1.543 121.496 119.950 0.005 0.000 2.091 442 F HA -0.253 4.272 4.527 -0.002 0.000 0.299 442 F C 1.866 177.617 175.800 -0.082 0.000 1.103 442 F CA 1.752 59.745 58.000 -0.012 0.000 1.228 442 F CB -0.512 38.503 39.000 0.024 0.000 0.984 442 F HN 0.098 nan 8.300 nan 0.000 0.477 443 Q N 0.772 120.370 119.800 -0.337 0.000 2.061 443 Q HA -0.183 4.155 4.340 -0.002 0.000 0.204 443 Q C 2.566 178.379 176.000 -0.311 0.000 0.984 443 Q CA 2.037 57.580 55.803 -0.434 0.000 0.846 443 Q CB -0.942 27.683 28.738 -0.188 0.000 0.902 443 Q HN 0.515 nan 8.270 nan 0.000 0.421 444 L N -0.197 120.919 121.223 -0.178 0.000 2.083 444 L HA -0.168 4.171 4.340 -0.002 0.000 0.209 444 L C 2.465 179.233 176.870 -0.169 0.000 1.083 444 L CA 0.783 55.537 54.840 -0.143 0.000 0.752 444 L CB -0.619 41.385 42.059 -0.093 0.000 0.899 444 L HN 0.044 nan 8.230 nan 0.000 0.433 445 V N -0.095 119.721 119.914 -0.163 0.000 2.295 445 V HA -0.297 3.821 4.120 -0.002 0.000 0.246 445 V C 2.554 178.565 176.094 -0.138 0.000 1.049 445 V CA 1.718 63.934 62.300 -0.140 0.000 1.024 445 V CB -0.508 31.323 31.823 0.014 0.000 0.648 445 V HN 0.401 nan 8.190 nan 0.000 0.447 446 K N -0.361 119.878 120.400 -0.268 0.000 2.044 446 K HA -0.267 4.051 4.320 -0.002 0.000 0.210 446 K C 2.292 178.857 176.600 -0.058 0.000 1.049 446 K CA 1.956 58.114 56.287 -0.214 0.000 0.927 446 K CB -0.257 31.838 32.500 -0.675 0.000 0.713 446 K HN 0.544 nan 8.250 nan 0.000 0.443 447 Q N 0.272 119.979 119.800 -0.154 0.000 2.181 447 Q HA -0.175 4.164 4.340 -0.002 0.000 0.205 447 Q C 1.870 177.823 176.000 -0.079 0.000 0.980 447 Q CA 1.107 56.846 55.803 -0.106 0.000 0.862 447 Q CB 0.062 28.731 28.738 -0.114 0.000 0.905 447 Q HN 0.271 nan 8.270 nan 0.000 0.429 448 E N 0.033 120.156 120.200 -0.128 0.000 2.110 448 E HA -0.155 4.193 4.350 -0.002 0.000 0.193 448 E C 1.755 178.310 176.600 -0.075 0.000 0.988 448 E CA 0.931 57.249 56.400 -0.136 0.000 0.804 448 E CB -0.145 29.387 29.700 -0.279 0.000 0.745 448 E HN 0.358 nan 8.360 nan 0.000 0.458 449 F N 0.670 120.677 119.950 0.095 0.000 2.102 449 F HA -0.171 4.355 4.527 -0.003 0.000 0.298 449 F C 2.381 178.088 175.800 -0.155 0.000 1.105 449 F CA 0.697 58.699 58.000 0.004 0.000 1.239 449 F CB -0.730 38.287 39.000 0.028 0.000 0.991 449 F HN 0.048 nan 8.300 nan 0.000 0.474 450 L N 0.482 121.719 121.223 0.023 0.000 2.056 450 L HA -0.131 4.207 4.340 -0.002 0.000 0.207 450 L C 2.530 179.366 176.870 -0.056 0.000 1.078 450 L CA 1.626 56.426 54.840 -0.067 0.000 0.749 450 L CB -0.756 41.258 42.059 -0.075 0.000 0.901 450 L HN 0.062 nan 8.230 nan 0.000 0.433 451 R N -0.613 119.851 120.500 -0.060 0.000 2.091 451 R HA -0.179 4.159 4.340 -0.002 0.000 0.238 451 R C 2.124 178.357 176.300 -0.111 0.000 1.136 451 R CA 1.518 57.588 56.100 -0.050 0.000 0.959 451 R CB -0.373 29.903 30.300 -0.039 0.000 0.856 451 R HN 0.488 nan 8.270 nan 0.000 0.437 452 A N 0.685 123.329 122.820 -0.294 0.000 1.873 452 A HA -0.070 4.249 4.320 -0.002 0.000 0.215 452 A C 2.381 179.673 177.584 -0.487 0.000 1.186 452 A CA 1.590 53.234 52.037 -0.655 0.000 0.616 452 A CB -0.833 17.067 19.000 -1.834 0.000 0.823 452 A HN 0.549 nan 8.150 nan 0.000 0.442 453 A N -0.577 122.067 122.820 -0.293 0.000 1.865 453 A HA -0.256 4.062 4.320 -0.002 0.000 0.217 453 A C 2.141 179.814 177.584 0.147 0.000 1.191 453 A CA 1.817 53.883 52.037 0.047 0.000 0.623 453 A CB -0.713 18.298 19.000 0.018 0.000 0.826 453 A HN 0.649 nan 8.150 nan 0.000 0.444 454 Q N -1.333 118.515 119.800 0.081 0.000 2.084 454 Q HA -0.203 4.135 4.340 -0.002 0.000 0.202 454 Q C 2.348 178.440 176.000 0.152 0.000 0.978 454 Q CA 1.497 57.370 55.803 0.117 0.000 0.844 454 Q CB -0.581 28.214 28.738 0.095 0.000 0.898 454 Q HN 0.805 nan 8.270 nan 0.000 0.426 455 C N 0.578 119.963 119.300 0.140 0.000 2.413 455 C HA -0.140 4.319 4.460 -0.002 0.000 0.276 455 C C 2.555 177.696 174.990 0.251 0.000 1.248 455 C CA 0.833 60.022 59.018 0.286 0.000 1.742 455 C CB -0.721 27.111 27.740 0.154 0.000 2.017 455 C HN 0.524 nan 8.230 nan 0.000 0.481 456 M N 0.133 119.685 119.600 -0.080 0.000 2.213 456 M HA -0.132 4.347 4.480 -0.002 0.000 0.263 456 M C 2.043 178.375 176.300 0.054 0.000 1.062 456 M CA 1.854 56.920 55.300 -0.390 0.000 1.105 456 M CB -0.514 31.823 32.600 -0.438 0.000 1.385 456 M HN 0.508 nan 8.290 nan 0.000 0.417 457 E N -0.094 120.171 120.200 0.108 0.000 2.112 457 E HA -0.087 4.261 4.350 -0.002 0.000 0.190 457 E C 2.007 178.572 176.600 -0.058 0.000 0.979 457 E CA 0.773 57.179 56.400 0.011 0.000 0.814 457 E CB 0.145 29.876 29.700 0.053 0.000 0.762 457 E HN 0.473 nan 8.360 nan 0.000 0.460 458 R N -0.715 119.791 120.500 0.009 0.000 2.237 458 R HA 0.177 4.515 4.340 -0.002 0.000 0.195 458 R C 0.136 176.215 176.300 -0.370 0.000 0.956 458 R CA 0.252 56.199 56.100 -0.254 0.000 1.029 458 R CB 0.479 30.563 30.300 -0.361 0.000 0.972 458 R HN 0.014 nan 8.270 nan 0.000 0.493 459 F N -0.093 120.057 119.950 0.333 0.000 2.661 459 F HA 0.503 5.029 4.527 -0.002 0.000 0.347 459 F C 0.076 176.213 175.800 0.562 0.000 1.086 459 F CA -1.036 57.190 58.000 0.376 0.000 1.016 459 F CB 1.032 40.225 39.000 0.323 0.000 1.368 459 F HN -0.312 nan 8.300 nan 0.000 0.505 460 L N 1.208 122.690 121.223 0.432 0.000 2.323 460 L HA 0.426 4.765 4.340 -0.002 0.000 0.265 460 L C -1.809 174.696 176.870 -0.608 0.000 1.012 460 L CA -1.804 52.912 54.840 -0.207 0.000 0.820 460 L CB 2.298 44.249 42.059 -0.179 0.000 1.334 460 L HN 0.278 nan 8.230 nan 0.000 0.427 461 P HA -0.162 nan 4.420 nan 0.000 0.217 461 P C 1.215 178.263 177.300 -0.421 0.000 1.148 461 P CA 1.431 63.878 63.100 -1.089 0.000 0.828 461 P CB -0.011 31.144 31.700 -0.908 0.000 0.783 462 T N -3.861 110.510 114.554 -0.306 0.000 3.014 462 T HA -0.030 4.318 4.350 -0.002 0.000 0.263 462 T C 1.241 175.895 174.700 -0.076 0.000 1.078 462 T CA 0.918 62.926 62.100 -0.154 0.000 1.135 462 T CB -0.760 68.032 68.868 -0.126 0.000 0.895 462 T HN 0.156 nan 8.240 nan 0.000 0.480 463 N N 1.324 120.006 118.700 -0.030 0.000 2.171 463 N HA 0.350 5.089 4.740 -0.002 0.000 0.212 463 N C 0.250 175.765 175.510 0.009 0.000 1.184 463 N CA -0.164 52.911 53.050 0.043 0.000 0.888 463 N CB -0.130 38.435 38.487 0.130 0.000 1.038 463 N HN 0.498 nan 8.380 nan 0.000 0.517 464 A N 2.168 124.965 122.820 -0.038 0.000 2.546 464 A HA 0.235 4.553 4.320 -0.002 0.000 0.243 464 A C -0.826 176.553 177.584 -0.342 0.000 1.063 464 A CA -0.753 51.132 52.037 -0.252 0.000 0.757 464 A CB 0.255 19.308 19.000 0.088 0.000 0.991 464 A HN 0.206 nan 8.150 nan 0.000 0.503 465 P HA -0.115 nan 4.420 nan 0.000 0.216 465 P C 0.332 177.531 177.300 -0.169 0.000 1.150 465 P CA 1.481 64.379 63.100 -0.336 0.000 0.837 465 P CB 0.136 31.603 31.700 -0.387 0.000 0.786 466 E N -0.145 119.975 120.200 -0.134 0.000 2.343 466 E HA 0.267 4.615 4.350 -0.002 0.000 0.270 466 E C -0.842 175.777 176.600 0.032 0.000 0.895 466 E CA -0.862 55.514 56.400 -0.039 0.000 0.767 466 E CB 1.788 31.472 29.700 -0.027 0.000 1.248 466 E HN -0.158 nan 8.360 nan 0.000 0.440 467 K N 1.180 121.617 120.400 0.063 0.000 2.832 467 K HA 0.136 4.454 4.320 -0.002 0.000 0.211 467 K C 1.124 177.825 176.600 0.169 0.000 1.112 467 K CA 0.297 56.664 56.287 0.133 0.000 1.108 467 K CB 0.411 32.965 32.500 0.090 0.000 0.899 467 K HN 0.569 nan 8.250 nan 0.000 0.464 468 S N 0.033 115.830 115.700 0.163 0.000 2.399 468 S HA -0.132 4.337 4.470 -0.002 0.000 0.231 468 S C 1.836 176.674 174.600 0.397 0.000 1.022 468 S CA 0.784 59.099 58.200 0.191 0.000 0.983 468 S CB -0.339 62.916 63.200 0.091 0.000 0.803 468 S HN 0.322 nan 8.310 nan 0.000 0.480 469 I N 1.306 122.130 120.570 0.424 0.000 2.335 469 I HA -0.111 4.057 4.170 -0.002 0.000 0.251 469 I C 1.679 178.033 176.117 0.394 0.000 1.129 469 I CA 1.200 62.753 61.300 0.423 0.000 1.402 469 I CB -0.308 37.836 38.000 0.239 0.000 1.069 469 I HN 0.309 nan 8.210 nan 0.000 0.424 470 L N 0.122 121.553 121.223 0.346 0.000 2.611 470 L HA 0.259 4.597 4.340 -0.002 0.000 0.229 470 L C 1.423 178.410 176.870 0.195 0.000 1.137 470 L CA 0.412 55.406 54.840 0.256 0.000 0.901 470 L CB -0.259 41.921 42.059 0.202 0.000 1.098 470 L HN 0.456 nan 8.230 nan 0.000 0.456 471 G N 0.293 109.223 108.800 0.216 0.000 2.141 471 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.242 471 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.242 471 G C 0.120 175.083 174.900 0.106 0.000 0.982 471 G CA -0.088 45.109 45.100 0.161 0.000 0.662 471 G HN 0.114 nan 8.290 nan 0.000 0.527 472 V N 1.152 121.126 119.914 0.101 0.000 2.385 472 V HA 0.671 4.790 4.120 -0.002 0.000 0.269 472 V C 1.088 177.205 176.094 0.040 0.000 1.043 472 V CA 0.318 62.656 62.300 0.064 0.000 0.906 472 V CB 0.644 32.502 31.823 0.059 0.000 0.995 472 V HN 0.817 nan 8.190 nan 0.000 0.467 473 K N 0.000 120.412 120.400 0.020 0.000 2.780 473 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 473 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 473 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 473 K HN 0.000 nan 8.250 nan 0.000 0.543