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 3h32_1_F DATA FIRST_RESID 97 DATA SEQUENCE EASILTHDSS IRYLQEIYNS NNQKIVNLKE KVAQLEAQCQ EPCKDTVQIH DATA SEQUENCE DITGKDcQDI ANKGAKQSGL YFIKPLKANQ QFLVYcEIDG SGNGWTVFQK DATA SEQUENCE RLDGSVDFKK NWIQYKEGFG HLSPTGTTEF WLGNEKIHLI STQSAIPYAL DATA SEQUENCE RVELEDWNGR TSTADYAMFK VGPEADKYRL TYAYFAGGDA GDAFDGFDFG DATA SEQUENCE DDPSDKFFTS HNGMQFSTWD NDNDKFEGNc AEQDGSGWWM NKcHAGHLNG DATA SEQUENCE VYYQGGTYSK ASTPNGYDNG IIWATWKTRW YSMKKTTMKI IPFNRL 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 97 E HA 0.000 nan 4.350 nan 0.000 0.291 97 E C 0.000 176.592 176.600 -0.013 0.000 1.382 97 E CA 0.000 56.395 56.400 -0.009 0.000 0.976 97 E CB 0.000 29.695 29.700 -0.007 0.000 0.812 98 A N 0.800 123.615 122.820 -0.009 0.000 2.148 98 A HA -0.225 4.095 4.320 -0.000 0.000 0.222 98 A C 1.934 179.502 177.584 -0.026 0.000 1.161 98 A CA 2.386 54.417 52.037 -0.010 0.000 0.662 98 A CB -1.159 17.839 19.000 -0.004 0.000 0.799 98 A HN 0.503 nan 8.150 nan 0.000 0.466 99 S N 1.012 116.690 115.700 -0.036 0.000 2.423 99 S HA -0.253 4.217 4.470 -0.000 0.000 0.238 99 S C 1.588 176.131 174.600 -0.095 0.000 1.028 99 S CA 1.567 59.736 58.200 -0.052 0.000 1.000 99 S CB -1.219 61.954 63.200 -0.045 0.000 0.797 99 S HN 0.834 nan 8.310 nan 0.000 0.487 100 I N 0.065 120.555 120.570 -0.134 0.000 3.241 100 I HA 0.024 4.194 4.170 -0.000 0.000 0.280 100 I C 1.621 177.511 176.117 -0.378 0.000 1.320 100 I CA 0.567 61.683 61.300 -0.307 0.000 1.413 100 I CB -0.928 36.891 38.000 -0.303 0.000 1.060 100 I HN 0.183 nan 8.210 nan 0.000 0.500 101 L N 1.063 122.209 121.223 -0.129 0.000 2.661 101 L HA -0.183 4.157 4.340 -0.000 0.000 0.236 101 L C 2.599 179.465 176.870 -0.008 0.000 1.176 101 L CA 1.293 56.121 54.840 -0.020 0.000 0.836 101 L CB -0.991 41.069 42.059 0.000 0.000 0.960 101 L HN 0.427 nan 8.230 nan 0.000 0.455 102 T N -0.646 113.847 114.554 -0.101 0.000 2.812 102 T HA -0.178 4.172 4.350 -0.000 0.000 0.264 102 T C 1.869 176.597 174.700 0.047 0.000 1.042 102 T CA 1.505 63.578 62.100 -0.044 0.000 1.140 102 T CB -0.196 68.627 68.868 -0.074 0.000 0.870 102 T HN 0.685 nan 8.240 nan 0.000 0.445 103 H N 0.432 119.504 119.070 0.004 0.000 2.387 103 H HA -0.065 4.491 4.556 0.000 0.000 0.299 103 H C 1.907 177.242 175.328 0.011 0.000 1.090 103 H CA 1.460 57.513 56.048 0.007 0.000 1.332 103 H CB -0.623 29.143 29.762 0.007 0.000 1.386 103 H HN 0.549 nan 8.280 nan 0.000 0.516 104 D N 1.242 121.854 120.400 0.354 0.000 2.309 104 D HA -0.117 4.523 4.640 -0.000 0.000 0.212 104 D C 1.646 177.998 176.300 0.085 0.000 0.968 104 D CA 1.063 55.135 54.000 0.119 0.000 0.882 104 D CB -0.247 40.623 40.800 0.116 0.000 0.918 104 D HN 0.275 nan 8.370 nan 0.000 0.503 105 S N -0.753 115.006 115.700 0.098 0.000 2.555 105 S HA -0.066 4.404 4.470 -0.000 0.000 0.230 105 S C 1.704 176.344 174.600 0.066 0.000 0.978 105 S CA 0.532 58.770 58.200 0.065 0.000 0.934 105 S CB -0.144 63.085 63.200 0.048 0.000 0.766 105 S HN 0.357 nan 8.310 nan 0.000 0.533 106 S N 1.276 117.023 115.700 0.079 0.000 2.446 106 S HA 0.134 4.604 4.470 -0.000 0.000 0.225 106 S C 1.668 176.330 174.600 0.104 0.000 1.016 106 S CA 0.185 58.439 58.200 0.090 0.000 0.943 106 S CB -0.283 62.970 63.200 0.088 0.000 0.786 106 S HN 0.469 nan 8.310 nan 0.000 0.508 107 I N 1.304 121.912 120.570 0.064 0.000 2.248 107 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 107 I C 2.613 178.760 176.117 0.050 0.000 1.107 107 I CA 1.253 62.576 61.300 0.038 0.000 1.373 107 I CB -0.195 37.809 38.000 0.007 0.000 1.055 107 I HN 0.240 nan 8.210 nan 0.000 0.418 108 R N -0.530 120.013 120.500 0.072 0.000 2.091 108 R HA -0.247 4.093 4.340 -0.000 0.000 0.238 108 R C 2.270 178.644 176.300 0.123 0.000 1.136 108 R CA 1.742 57.890 56.100 0.080 0.000 0.959 108 R CB -0.703 29.648 30.300 0.085 0.000 0.856 108 R HN 0.319 nan 8.270 nan 0.000 0.437 109 Y N 0.765 121.075 120.300 0.018 0.000 2.181 109 Y HA -0.184 4.366 4.550 0.000 0.000 0.288 109 Y C 1.671 177.591 175.900 0.033 0.000 1.146 109 Y CA 1.266 59.381 58.100 0.024 0.000 1.164 109 Y CB -0.100 38.373 38.460 0.022 0.000 0.982 109 Y HN -0.065 nan 8.280 nan 0.000 0.515 110 L N 0.191 121.403 121.223 -0.017 0.000 2.005 110 L HA -0.235 4.105 4.340 -0.000 0.000 0.207 110 L C 2.496 179.331 176.870 -0.057 0.000 1.072 110 L CA 1.906 56.694 54.840 -0.086 0.000 0.744 110 L CB -1.794 40.250 42.059 -0.026 0.000 0.895 110 L HN 0.300 nan 8.230 nan 0.000 0.433 111 Q N -0.305 119.472 119.800 -0.038 0.000 2.096 111 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 111 Q C 2.074 178.113 176.000 0.066 0.000 0.982 111 Q CA 1.474 57.261 55.803 -0.028 0.000 0.850 111 Q CB 0.230 28.940 28.738 -0.046 0.000 0.901 111 Q HN 0.425 nan 8.270 nan 0.000 0.422 112 E N 0.511 120.720 120.200 0.015 0.000 2.051 112 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 112 E C 2.108 178.688 176.600 -0.034 0.000 0.991 112 E CA 1.369 57.777 56.400 0.012 0.000 0.799 112 E CB -0.392 29.324 29.700 0.026 0.000 0.748 112 E HN 0.635 nan 8.360 nan 0.000 0.449 113 I N -1.303 119.168 120.570 -0.165 0.000 2.493 113 I HA -0.220 3.950 4.170 -0.000 0.000 0.254 113 I C 2.530 178.602 176.117 -0.075 0.000 1.160 113 I CA 1.187 62.366 61.300 -0.201 0.000 1.445 113 I CB -0.532 37.208 38.000 -0.433 0.000 1.086 113 I HN -0.039 nan 8.210 nan 0.000 0.433 114 Y N 2.624 122.843 120.300 -0.136 0.000 2.133 114 Y HA -0.220 4.330 4.550 -0.000 0.000 0.287 114 Y C 2.178 178.041 175.900 -0.061 0.000 1.134 114 Y CA 2.086 60.135 58.100 -0.086 0.000 1.133 114 Y CB -0.612 37.805 38.460 -0.072 0.000 0.987 114 Y HN 0.177 nan 8.280 nan 0.000 0.502 115 N N -0.134 118.613 118.700 0.079 0.000 2.104 115 N HA -0.198 4.542 4.740 -0.000 0.000 0.190 115 N C 1.895 177.338 175.510 -0.112 0.000 1.024 115 N CA 1.999 55.038 53.050 -0.019 0.000 0.853 115 N CB -0.322 38.213 38.487 0.080 0.000 1.008 115 N HN 0.326 nan 8.380 nan 0.000 0.424 116 S N 0.241 115.893 115.700 -0.079 0.000 2.383 116 S HA -0.128 4.342 4.470 -0.000 0.000 0.229 116 S C 1.518 176.049 174.600 -0.115 0.000 1.030 116 S CA 1.069 59.224 58.200 -0.075 0.000 1.002 116 S CB -0.502 62.663 63.200 -0.058 0.000 0.829 116 S HN 0.430 nan 8.310 nan 0.000 0.467 117 N N 1.299 119.896 118.700 -0.172 0.000 2.080 117 N HA -0.103 4.637 4.740 -0.000 0.000 0.189 117 N C 1.762 177.132 175.510 -0.233 0.000 1.036 117 N CA 1.238 54.169 53.050 -0.198 0.000 0.846 117 N CB -0.253 38.091 38.487 -0.238 0.000 1.015 117 N HN 0.322 nan 8.380 nan 0.000 0.423 118 N N 0.769 119.252 118.700 -0.362 0.000 2.166 118 N HA -0.192 4.548 4.740 -0.000 0.000 0.186 118 N C 1.782 177.199 175.510 -0.155 0.000 1.019 118 N CA 0.994 53.867 53.050 -0.294 0.000 0.856 118 N CB 0.061 38.325 38.487 -0.372 0.000 0.993 118 N HN 0.138 nan 8.380 nan 0.000 0.426 119 Q N 0.929 120.652 119.800 -0.127 0.000 1.990 119 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 119 Q C 1.578 177.540 176.000 -0.064 0.000 0.980 119 Q CA 1.747 57.505 55.803 -0.074 0.000 0.832 119 Q CB -0.048 28.657 28.738 -0.055 0.000 0.897 119 Q HN 0.276 nan 8.270 nan 0.000 0.427 120 K N -0.149 120.210 120.400 -0.068 0.000 2.103 120 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 120 K C 2.097 178.665 176.600 -0.053 0.000 1.048 120 K CA 1.527 57.782 56.287 -0.053 0.000 0.930 120 K CB -0.322 32.146 32.500 -0.053 0.000 0.716 120 K HN 0.272 nan 8.250 nan 0.000 0.444 121 I N 0.700 121.228 120.570 -0.069 0.000 2.208 121 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 121 I C 2.141 178.229 176.117 -0.048 0.000 1.097 121 I CA 1.131 62.394 61.300 -0.062 0.000 1.363 121 I CB -0.294 37.659 38.000 -0.078 0.000 1.051 121 I HN -0.045 nan 8.210 nan 0.000 0.413 122 V N 0.854 120.739 119.914 -0.048 0.000 2.427 122 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 122 V C 2.070 178.148 176.094 -0.028 0.000 1.051 122 V CA 1.658 63.937 62.300 -0.035 0.000 1.048 122 V CB -0.788 31.015 31.823 -0.032 0.000 0.666 122 V HN 0.460 nan 8.190 nan 0.000 0.456 123 N N 0.023 118.705 118.700 -0.029 0.000 2.309 123 N HA -0.076 4.664 4.740 -0.000 0.000 0.182 123 N C 1.760 177.257 175.510 -0.022 0.000 1.018 123 N CA 1.175 54.211 53.050 -0.023 0.000 0.876 123 N CB -0.010 38.464 38.487 -0.023 0.000 0.972 123 N HN 0.458 nan 8.380 nan 0.000 0.434 124 L N 1.228 122.436 121.223 -0.026 0.000 2.068 124 L HA -0.018 4.322 4.340 -0.000 0.000 0.204 124 L C 2.253 179.111 176.870 -0.020 0.000 1.076 124 L CA 1.237 56.063 54.840 -0.023 0.000 0.753 124 L CB -0.095 41.948 42.059 -0.027 0.000 0.910 124 L HN -0.089 nan 8.230 nan 0.000 0.439 125 K N -0.353 120.034 120.400 -0.022 0.000 2.283 125 K HA -0.222 4.098 4.320 -0.000 0.000 0.202 125 K C 2.032 178.622 176.600 -0.016 0.000 1.048 125 K CA 1.243 57.519 56.287 -0.019 0.000 0.948 125 K CB 0.031 32.519 32.500 -0.020 0.000 0.742 125 K HN 0.399 nan 8.250 nan 0.000 0.458 126 E N 0.436 120.626 120.200 -0.016 0.000 2.106 126 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 126 E C 1.382 177.975 176.600 -0.012 0.000 0.984 126 E CA 0.949 57.341 56.400 -0.014 0.000 0.806 126 E CB 0.288 29.980 29.700 -0.014 0.000 0.750 126 E HN 0.052 nan 8.360 nan 0.000 0.458 127 K N 0.430 120.823 120.400 -0.013 0.000 2.228 127 K HA -0.016 4.304 4.320 -0.000 0.000 0.202 127 K C 2.133 178.727 176.600 -0.010 0.000 1.051 127 K CA 0.329 56.610 56.287 -0.011 0.000 0.960 127 K CB -0.287 32.206 32.500 -0.012 0.000 0.743 127 K HN 0.079 nan 8.250 nan 0.000 0.458 128 V N 1.656 121.563 119.914 -0.011 0.000 2.343 128 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 128 V C 2.394 178.483 176.094 -0.009 0.000 1.051 128 V CA 2.009 64.302 62.300 -0.010 0.000 1.036 128 V CB -0.731 31.085 31.823 -0.011 0.000 0.654 128 V HN 0.264 nan 8.190 nan 0.000 0.451 129 A N -1.118 121.696 122.820 -0.009 0.000 1.972 129 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 129 A C 2.178 179.758 177.584 -0.008 0.000 1.169 129 A CA 1.532 53.564 52.037 -0.008 0.000 0.635 129 A CB -0.371 18.624 19.000 -0.008 0.000 0.810 129 A HN 0.577 nan 8.150 nan 0.000 0.446 130 Q N -1.206 118.589 119.800 -0.008 0.000 2.119 130 Q HA -0.114 4.226 4.340 -0.000 0.000 0.201 130 Q C 2.061 178.057 176.000 -0.007 0.000 0.972 130 Q CA 1.206 57.004 55.803 -0.007 0.000 0.847 130 Q CB -0.341 28.392 28.738 -0.007 0.000 0.903 130 Q HN 0.588 nan 8.270 nan 0.000 0.433 131 L N 1.172 122.391 121.223 -0.007 0.000 2.072 131 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 131 L C 2.270 179.136 176.870 -0.007 0.000 1.079 131 L CA 1.724 56.560 54.840 -0.007 0.000 0.752 131 L CB -0.427 41.628 42.059 -0.007 0.000 0.906 131 L HN 0.184 nan 8.230 nan 0.000 0.436 132 E N -0.800 119.396 120.200 -0.007 0.000 2.085 132 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 132 E C 2.062 178.658 176.600 -0.006 0.000 0.994 132 E CA 1.211 57.607 56.400 -0.006 0.000 0.801 132 E CB -0.094 29.602 29.700 -0.006 0.000 0.743 132 E HN 0.582 nan 8.360 nan 0.000 0.453 133 A N 0.351 123.167 122.820 -0.006 0.000 1.897 133 A HA -0.193 4.127 4.320 -0.000 0.000 0.215 133 A C 2.083 179.664 177.584 -0.006 0.000 1.181 133 A CA 1.481 53.514 52.037 -0.006 0.000 0.620 133 A CB -0.467 18.529 19.000 -0.006 0.000 0.821 133 A HN 0.229 nan 8.150 nan 0.000 0.443 134 Q N -0.884 118.913 119.800 -0.006 0.000 2.046 134 Q HA -0.083 4.257 4.340 -0.000 0.000 0.200 134 Q C 1.009 177.006 176.000 -0.006 0.000 0.975 134 Q CA 1.475 57.275 55.803 -0.006 0.000 0.836 134 Q CB -0.372 28.362 28.738 -0.006 0.000 0.896 134 Q HN 0.529 nan 8.270 nan 0.000 0.428 135 C N 1.589 120.886 119.300 -0.006 0.000 2.379 135 C HA 0.435 4.895 4.460 -0.000 0.000 0.476 135 C C -0.317 174.670 174.990 -0.005 0.000 1.068 135 C CA -0.227 58.787 59.018 -0.006 0.000 1.406 135 C CB -1.335 26.401 27.740 -0.006 0.000 1.496 135 C HN 0.499 nan 8.230 nan 0.000 0.551 136 Q N 2.045 121.842 119.800 -0.005 0.000 2.601 136 Q HA 0.193 4.533 4.340 -0.000 0.000 0.284 136 Q C -0.971 175.025 176.000 -0.005 0.000 0.736 136 Q CA 0.072 55.872 55.803 -0.005 0.000 1.048 136 Q CB 0.231 28.966 28.738 -0.005 0.000 1.438 136 Q HN 0.556 nan 8.270 nan 0.000 0.370 137 E N 1.134 121.330 120.200 -0.005 0.000 2.266 137 E HA 0.487 4.837 4.350 -0.000 0.000 0.268 137 E C -2.394 174.202 176.600 -0.005 0.000 0.879 137 E CA -1.754 54.643 56.400 -0.005 0.000 0.762 137 E CB 1.832 31.529 29.700 -0.005 0.000 1.199 137 E HN 0.308 nan 8.360 nan 0.000 0.422 138 P HA 0.082 nan 4.420 nan 0.000 0.266 138 P C -0.377 176.920 177.300 -0.005 0.000 1.195 138 P CA -0.144 62.953 63.100 -0.005 0.000 0.768 138 P CB 0.423 32.120 31.700 -0.005 0.000 0.838 139 C N 2.454 121.750 119.300 -0.006 0.000 2.745 139 C HA 0.091 4.551 4.460 -0.000 0.000 0.387 139 C C 0.964 175.950 174.990 -0.006 0.000 1.312 139 C CA -0.266 58.748 59.018 -0.007 0.000 2.204 139 C CB -0.402 27.333 27.740 -0.008 0.000 2.686 139 C HN 0.451 nan 8.230 nan 0.000 0.705 140 K N 2.062 122.458 120.400 -0.007 0.000 2.316 140 K HA 0.139 4.459 4.320 -0.000 0.000 0.289 140 K C -0.611 175.984 176.600 -0.008 0.000 1.070 140 K CA 0.261 56.544 56.287 -0.006 0.000 0.928 140 K CB 0.369 32.866 32.500 -0.005 0.000 1.039 140 K HN 0.639 nan 8.250 nan 0.000 0.480 141 D N 2.780 123.175 120.400 -0.007 0.000 2.396 141 D HA 0.026 4.666 4.640 -0.000 0.000 0.225 141 D C 1.217 177.511 176.300 -0.010 0.000 1.121 141 D CA -0.053 53.941 54.000 -0.011 0.000 0.853 141 D CB 1.097 41.891 40.800 -0.009 0.000 1.043 141 D HN 0.630 nan 8.370 nan 0.000 0.500 142 T N 0.198 114.744 114.554 -0.015 0.000 2.721 142 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 142 T C 1.255 175.946 174.700 -0.015 0.000 1.038 142 T CA 1.269 63.361 62.100 -0.013 0.000 1.145 142 T CB -0.686 68.170 68.868 -0.020 0.000 0.858 142 T HN 0.228 nan 8.240 nan 0.000 0.459 143 V N -0.020 119.878 119.914 -0.027 0.000 2.521 143 V HA 0.551 4.671 4.120 -0.000 0.000 0.286 143 V C -0.440 175.641 176.094 -0.023 0.000 1.034 143 V CA -0.771 61.506 62.300 -0.038 0.000 1.045 143 V CB 0.668 32.458 31.823 -0.054 0.000 0.974 143 V HN 0.376 nan 8.190 nan 0.000 0.480 144 Q N 4.172 123.954 119.800 -0.030 0.000 2.359 144 Q HA 0.602 4.942 4.340 -0.000 0.000 0.274 144 Q C -0.803 175.161 176.000 -0.060 0.000 1.074 144 Q CA -0.534 55.271 55.803 0.003 0.000 0.810 144 Q CB 2.341 31.125 28.738 0.078 0.000 1.342 144 Q HN 1.025 nan 8.270 nan 0.000 0.427 145 I N -1.466 119.117 120.570 0.021 0.000 2.353 145 I HA 0.453 4.623 4.170 -0.000 0.000 0.293 145 I C -0.177 176.009 176.117 0.116 0.000 0.992 145 I CA -0.223 61.093 61.300 0.026 0.000 1.268 145 I CB 0.860 39.042 38.000 0.303 0.000 1.387 145 I HN 0.397 nan 8.210 nan 0.000 0.478 146 H N 3.703 122.686 119.070 -0.146 0.000 2.502 146 H HA 0.415 4.971 4.556 -0.000 0.000 0.338 146 H C -0.484 174.894 175.328 0.084 0.000 1.155 146 H CA -0.973 55.007 56.048 -0.113 0.000 1.237 146 H CB 1.504 31.062 29.762 -0.341 0.000 1.534 146 H HN 0.664 nan 8.280 nan 0.000 0.523 147 D N 1.303 121.835 120.400 0.219 0.000 2.197 147 D HA 0.061 4.701 4.640 -0.000 0.000 0.290 147 D C 0.740 177.168 176.300 0.214 0.000 1.145 147 D CA -0.143 53.951 54.000 0.157 0.000 1.061 147 D CB 0.610 41.448 40.800 0.062 0.000 1.151 147 D HN 0.559 nan 8.370 nan 0.000 0.504 148 I N 0.364 121.004 120.570 0.117 0.000 6.679 148 I HA -0.227 3.943 4.170 -0.000 0.000 0.126 148 I C -0.005 176.167 176.117 0.092 0.000 1.811 148 I CA -0.033 61.320 61.300 0.089 0.000 2.117 148 I CB -2.260 35.797 38.000 0.096 0.000 3.492 148 I HN 0.083 nan 8.210 nan 0.000 0.193 149 T N 1.559 116.163 114.554 0.084 0.000 2.939 149 T HA 0.398 4.748 4.350 -0.000 0.000 0.319 149 T C 0.819 175.528 174.700 0.015 0.000 1.082 149 T CA 0.625 62.768 62.100 0.072 0.000 1.133 149 T CB 1.152 70.049 68.868 0.048 0.000 1.019 149 T HN 0.717 nan 8.240 nan 0.000 0.548 150 G N 0.838 109.629 108.800 -0.015 0.000 2.827 150 G HA2 0.456 4.416 3.960 -0.000 0.000 0.296 150 G HA3 0.456 4.416 3.960 -0.000 0.000 0.296 150 G C 0.262 175.134 174.900 -0.047 0.000 1.362 150 G CA -0.739 44.341 45.100 -0.034 0.000 0.809 150 G HN 0.398 nan 8.290 nan 0.000 0.522 151 K N -0.131 120.253 120.400 -0.028 0.000 2.057 151 K HA 0.089 4.409 4.320 -0.000 0.000 0.206 151 K C 0.573 177.173 176.600 0.001 0.000 1.050 151 K CA 1.709 57.992 56.287 -0.007 0.000 0.935 151 K CB -0.176 32.337 32.500 0.022 0.000 0.715 151 K HN 0.762 nan 8.250 nan 0.000 0.439 152 D N -2.654 117.748 120.400 0.004 0.000 2.768 152 D HA 0.054 4.694 4.640 -0.000 0.000 0.327 152 D C 0.623 176.903 176.300 -0.033 0.000 1.302 152 D CA -0.628 53.387 54.000 0.025 0.000 0.897 152 D CB 0.178 41.072 40.800 0.156 0.000 1.420 152 D HN -0.131 nan 8.370 nan 0.000 0.494 153 c N -0.722 117.860 118.600 -0.030 0.000 2.432 153 c HA -0.061 4.508 4.570 -0.000 0.000 0.280 153 c C 2.311 176.311 174.090 -0.150 0.000 1.353 153 c CA 1.190 57.440 56.329 -0.131 0.000 1.766 153 c CB -1.134 41.319 42.510 -0.095 0.000 1.924 153 c HN 0.612 nan 8.230 nan 0.000 0.509 154 Q N 1.377 121.121 119.800 -0.093 0.000 2.297 154 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 154 Q C 1.481 177.404 176.000 -0.129 0.000 0.962 154 Q CA 1.818 57.538 55.803 -0.139 0.000 0.879 154 Q CB -0.430 28.219 28.738 -0.148 0.000 0.947 154 Q HN 0.730 nan 8.270 nan 0.000 0.462 155 D N -1.173 119.167 120.400 -0.099 0.000 2.162 155 D HA -0.088 4.552 4.640 -0.000 0.000 0.203 155 D C 1.463 177.701 176.300 -0.105 0.000 0.967 155 D CA 0.868 54.816 54.000 -0.086 0.000 0.840 155 D CB 0.111 40.877 40.800 -0.056 0.000 0.972 155 D HN 0.257 nan 8.370 nan 0.000 0.482 156 I N 1.151 121.631 120.570 -0.149 0.000 2.264 156 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 156 I C 2.336 178.347 176.117 -0.176 0.000 1.111 156 I CA 1.109 62.292 61.300 -0.194 0.000 1.382 156 I CB -1.529 36.223 38.000 -0.414 0.000 1.060 156 I HN 0.083 nan 8.210 nan 0.000 0.418 157 A N 0.213 122.923 122.820 -0.182 0.000 2.169 157 A HA -0.096 4.224 4.320 -0.000 0.000 0.212 157 A C 2.030 179.547 177.584 -0.111 0.000 1.153 157 A CA 1.009 52.959 52.037 -0.145 0.000 0.756 157 A CB -0.720 18.182 19.000 -0.164 0.000 0.813 157 A HN 0.419 nan 8.150 nan 0.000 0.471 158 N N -0.347 118.289 118.700 -0.107 0.000 2.395 158 N HA -0.014 4.726 4.740 -0.000 0.000 0.175 158 N C 0.417 175.888 175.510 -0.065 0.000 1.029 158 N CA 0.710 53.708 53.050 -0.086 0.000 0.897 158 N CB 0.179 38.615 38.487 -0.084 0.000 0.991 158 N HN -0.027 nan 8.380 nan 0.000 0.441 159 K N 0.696 121.059 120.400 -0.062 0.000 3.095 159 K HA 0.358 4.678 4.320 -0.000 0.000 0.220 159 K C 0.512 177.092 176.600 -0.033 0.000 1.216 159 K CA 0.038 56.300 56.287 -0.041 0.000 1.167 159 K CB 0.034 32.515 32.500 -0.033 0.000 1.199 159 K HN 0.282 nan 8.250 nan 0.000 0.458 160 G N 1.424 110.201 108.800 -0.039 0.000 2.554 160 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.253 160 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.253 160 G C -0.614 174.268 174.900 -0.031 0.000 1.172 160 G CA 0.265 45.348 45.100 -0.028 0.000 0.950 160 G HN 0.940 nan 8.290 nan 0.000 0.557 161 A N -1.605 121.215 122.820 0.000 0.000 1.442 161 A HA 0.214 4.534 4.320 -0.000 0.000 0.220 161 A C 0.899 178.492 177.584 0.014 0.000 1.100 161 A CA 2.059 54.115 52.037 0.032 0.000 0.549 161 A CB -0.621 18.352 19.000 -0.046 0.000 1.361 161 A HN 1.603 nan 8.150 nan 0.000 0.179 162 K N 1.354 121.786 120.400 0.053 0.000 2.450 162 K HA 0.125 4.445 4.320 -0.000 0.000 0.206 162 K C 0.831 177.479 176.600 0.079 0.000 1.148 162 K CA 0.623 56.933 56.287 0.038 0.000 1.014 162 K CB 0.434 32.944 32.500 0.017 0.000 0.966 162 K HN 0.891 nan 8.250 nan 0.000 0.566 163 Q N 0.527 120.418 119.800 0.152 0.000 2.249 163 Q HA 0.305 4.645 4.340 -0.000 0.000 0.226 163 Q C -0.506 175.659 176.000 0.275 0.000 0.983 163 Q CA -0.159 55.765 55.803 0.202 0.000 0.930 163 Q CB 1.211 30.086 28.738 0.229 0.000 1.193 163 Q HN -0.191 nan 8.270 nan 0.000 0.508 164 S N 0.106 115.946 115.700 0.233 0.000 2.601 164 S HA 0.662 5.132 4.470 -0.000 0.000 0.312 164 S C -0.426 174.320 174.600 0.243 0.000 1.107 164 S CA -0.432 57.887 58.200 0.199 0.000 1.129 164 S CB 1.051 64.331 63.200 0.132 0.000 0.982 164 S HN 0.764 nan 8.310 nan 0.000 0.469 165 G N 2.041 110.978 108.800 0.228 0.000 2.827 165 G HA2 0.553 4.513 3.960 -0.000 0.000 0.202 165 G HA3 0.553 4.513 3.960 -0.000 0.000 0.202 165 G C -2.040 172.872 174.900 0.020 0.000 1.185 165 G CA -0.651 44.505 45.100 0.093 0.000 0.920 165 G HN 0.443 nan 8.290 nan 0.000 0.550 166 L N 0.705 121.714 121.223 -0.356 0.000 2.307 166 L HA 0.754 5.094 4.340 -0.000 0.000 0.284 166 L C -1.012 175.544 176.870 -0.525 0.000 1.023 166 L CA -0.705 53.976 54.840 -0.265 0.000 0.810 166 L CB 1.069 42.987 42.059 -0.236 0.000 1.231 166 L HN 0.487 nan 8.230 nan 0.000 0.423 167 Y N 1.208 121.402 120.300 -0.177 0.000 2.665 167 Y HA 0.677 5.227 4.550 -0.000 0.000 0.336 167 Y C -0.685 175.113 175.900 -0.171 0.000 1.085 167 Y CA -0.923 57.139 58.100 -0.064 0.000 1.096 167 Y CB 1.476 39.929 38.460 -0.012 0.000 1.301 167 Y HN 0.231 nan 8.280 nan 0.000 0.493 168 F N 2.067 122.064 119.950 0.079 0.000 2.443 168 F HA 0.667 5.194 4.527 -0.000 0.000 0.335 168 F C -0.183 175.537 175.800 -0.132 0.000 1.104 168 F CA -0.974 56.992 58.000 -0.057 0.000 1.013 168 F CB 1.430 40.401 39.000 -0.048 0.000 1.136 168 F HN 0.273 nan 8.300 nan 0.000 0.470 169 I N 0.035 120.478 120.570 -0.213 0.000 2.969 169 I HA 0.643 4.813 4.170 -0.000 0.000 0.307 169 I C -1.377 174.478 176.117 -0.437 0.000 1.149 169 I CA -0.931 60.202 61.300 -0.278 0.000 1.008 169 I CB 2.511 40.334 38.000 -0.295 0.000 1.232 169 I HN 0.505 nan 8.210 nan 0.000 0.435 170 K N 4.436 124.695 120.400 -0.235 0.000 2.690 170 K HA 0.553 4.873 4.320 -0.000 0.000 0.243 170 K C -2.837 173.720 176.600 -0.071 0.000 0.982 170 K CA -1.476 54.712 56.287 -0.164 0.000 0.955 170 K CB 1.678 34.136 32.500 -0.069 0.000 1.185 170 K HN 0.431 nan 8.250 nan 0.000 0.467 171 P HA -0.001 nan 4.420 nan 0.000 0.267 171 P C 0.842 178.146 177.300 0.007 0.000 1.200 171 P CA -0.162 62.939 63.100 0.001 0.000 0.772 171 P CB 0.723 32.437 31.700 0.023 0.000 0.855 172 L N 1.784 123.011 121.223 0.006 0.000 1.990 172 L HA -0.259 4.081 4.340 -0.000 0.000 0.213 172 L C 2.183 179.058 176.870 0.009 0.000 1.072 172 L CA 1.959 56.804 54.840 0.008 0.000 0.755 172 L CB -0.803 41.263 42.059 0.011 0.000 0.889 172 L HN 0.454 nan 8.230 nan 0.000 0.432 173 K N 0.064 120.465 120.400 0.000 0.000 2.032 173 K HA -0.090 4.229 4.320 -0.000 0.000 0.209 173 K C 1.318 177.928 176.600 0.018 0.000 1.048 173 K CA 1.309 57.597 56.287 0.002 0.000 0.927 173 K CB -0.253 32.234 32.500 -0.022 0.000 0.712 173 K HN 0.334 nan 8.250 nan 0.000 0.441 174 A N 1.527 124.361 122.820 0.024 0.000 3.033 174 A HA 0.340 4.660 4.320 -0.000 0.000 0.223 174 A C -0.067 177.554 177.584 0.061 0.000 1.797 174 A CA -0.122 51.947 52.037 0.053 0.000 0.856 174 A CB 0.136 19.182 19.000 0.076 0.000 1.798 174 A HN 0.470 nan 8.150 nan 0.000 0.629 175 N N -3.713 115.040 118.700 0.088 0.000 3.449 175 N HA 0.407 5.147 4.740 -0.000 0.000 0.312 175 N C -1.859 173.726 175.510 0.125 0.000 1.582 175 N CA -0.724 52.375 53.050 0.082 0.000 0.850 175 N CB 0.282 38.804 38.487 0.058 0.000 1.822 175 N HN 0.436 nan 8.380 nan 0.000 0.577 176 Q N -0.868 118.994 119.800 0.104 0.000 2.449 176 Q HA -0.181 4.159 4.340 -0.000 0.000 0.351 176 Q C -1.017 175.109 176.000 0.210 0.000 1.456 176 Q CA 0.656 56.541 55.803 0.136 0.000 0.951 176 Q CB -2.276 26.546 28.738 0.139 0.000 1.153 176 Q HN 0.790 nan 8.270 nan 0.000 0.341 177 Q N 0.310 120.180 119.800 0.117 0.000 2.498 177 Q HA 0.417 4.757 4.340 -0.000 0.000 0.299 177 Q C 0.376 176.482 176.000 0.177 0.000 1.178 177 Q CA 0.813 56.615 55.803 -0.002 0.000 0.997 177 Q CB 0.092 28.838 28.738 0.014 0.000 1.306 177 Q HN 0.493 nan 8.270 nan 0.000 0.468 178 F N -2.866 117.129 119.950 0.076 0.000 2.715 178 F HA 0.646 5.173 4.527 -0.000 0.000 0.318 178 F C -1.260 174.356 175.800 -0.306 0.000 1.141 178 F CA -1.817 56.146 58.000 -0.061 0.000 0.950 178 F CB 0.489 39.442 39.000 -0.078 0.000 1.374 178 F HN 0.413 nan 8.300 nan 0.000 0.477 179 L N 2.137 123.231 121.223 -0.215 0.000 2.350 179 L HA 0.766 5.106 4.340 -0.000 0.000 0.275 179 L C -0.621 176.176 176.870 -0.120 0.000 1.099 179 L CA -0.476 54.097 54.840 -0.444 0.000 0.808 179 L CB 1.556 43.343 42.059 -0.452 0.000 1.149 179 L HN 0.700 nan 8.230 nan 0.000 0.442 180 V N 1.830 121.666 119.914 -0.132 0.000 2.671 180 V HA 0.267 4.387 4.120 -0.000 0.000 0.292 180 V C -0.976 175.137 176.094 0.032 0.000 1.115 180 V CA -0.971 61.326 62.300 -0.006 0.000 0.918 180 V CB 0.616 32.484 31.823 0.075 0.000 1.036 180 V HN 0.639 nan 8.190 nan 0.000 0.445 181 Y N 4.589 124.814 120.300 -0.125 0.000 2.650 181 Y HA 0.495 5.045 4.550 -0.000 0.000 0.342 181 Y C 0.613 176.570 175.900 0.095 0.000 1.110 181 Y CA -0.208 57.861 58.100 -0.053 0.000 1.438 181 Y CB 0.075 38.449 38.460 -0.142 0.000 1.181 181 Y HN 0.954 nan 8.280 nan 0.000 0.526 182 c N 4.774 123.225 118.600 -0.249 0.000 2.590 182 c HA 0.452 5.022 4.570 -0.000 0.000 0.354 182 c C 0.165 173.935 174.090 -0.533 0.000 1.622 182 c CA -0.634 55.537 56.329 -0.263 0.000 2.050 182 c CB 0.736 43.157 42.510 -0.149 0.000 1.960 182 c HN 0.876 nan 8.230 nan 0.000 0.550 183 E N 0.350 120.426 120.200 -0.206 0.000 2.551 183 E HA 0.395 4.745 4.350 -0.000 0.000 0.321 183 E C -1.661 174.946 176.600 0.012 0.000 0.975 183 E CA -0.080 56.261 56.400 -0.098 0.000 0.784 183 E CB 0.338 30.049 29.700 0.020 0.000 1.493 183 E HN 0.592 nan 8.360 nan 0.000 0.385 184 I N 4.482 125.049 120.570 -0.006 0.000 2.312 184 I HA 0.171 4.341 4.170 -0.000 0.000 0.290 184 I C 0.538 176.663 176.117 0.014 0.000 1.008 184 I CA -0.638 60.648 61.300 -0.022 0.000 1.226 184 I CB 1.127 39.111 38.000 -0.027 0.000 1.371 184 I HN 0.526 nan 8.210 nan 0.000 0.468 185 D N 4.350 124.752 120.400 0.003 0.000 2.349 185 D HA 0.038 4.678 4.640 -0.000 0.000 0.224 185 D C 1.468 177.766 176.300 -0.003 0.000 1.029 185 D CA 0.601 54.615 54.000 0.023 0.000 0.879 185 D CB 0.348 41.170 40.800 0.037 0.000 0.906 185 D HN 0.796 nan 8.370 nan 0.000 0.528 186 G N 0.369 109.157 108.800 -0.020 0.000 2.480 186 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.246 186 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.246 186 G C 1.441 176.318 174.900 -0.040 0.000 1.073 186 G CA 0.638 45.724 45.100 -0.023 0.000 0.643 186 G HN 0.384 nan 8.290 nan 0.000 0.525 187 S N 0.562 116.236 115.700 -0.044 0.000 2.520 187 S HA 0.266 4.736 4.470 -0.000 0.000 0.249 187 S C 2.061 176.615 174.600 -0.077 0.000 0.983 187 S CA 1.980 60.148 58.200 -0.053 0.000 0.958 187 S CB -0.420 62.749 63.200 -0.052 0.000 0.750 187 S HN 2.289 nan 8.310 nan 0.000 0.527 188 G N 0.901 109.646 108.800 -0.092 0.000 2.148 188 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.157 188 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.157 188 G C -0.443 174.363 174.900 -0.157 0.000 1.012 188 G CA -0.571 44.464 45.100 -0.109 0.000 0.677 188 G HN 0.535 nan 8.290 nan 0.000 0.506 189 N N -0.506 118.077 118.700 -0.195 0.000 2.240 189 N HA 0.623 5.363 4.740 -0.000 0.000 0.302 189 N C -0.197 175.140 175.510 -0.290 0.000 1.106 189 N CA -0.302 52.568 53.050 -0.300 0.000 0.778 189 N CB 2.095 40.324 38.487 -0.430 0.000 1.431 189 N HN 0.350 nan 8.380 nan 0.000 0.479 190 G N 1.309 109.922 108.800 -0.312 0.000 3.164 190 G HA2 0.250 4.210 3.960 -0.000 0.000 0.312 190 G HA3 0.250 4.210 3.960 -0.000 0.000 0.312 190 G C -1.081 173.719 174.900 -0.168 0.000 1.530 190 G CA -0.505 44.461 45.100 -0.222 0.000 1.079 190 G HN 0.499 nan 8.290 nan 0.000 0.527 191 W N 1.250 122.495 121.300 -0.092 0.000 2.209 191 W HA 0.365 5.025 4.660 -0.000 0.000 0.344 191 W C 1.023 177.494 176.519 -0.080 0.000 1.285 191 W CA 0.084 57.389 57.345 -0.068 0.000 1.267 191 W CB 1.245 30.659 29.460 -0.076 0.000 1.167 191 W HN 0.375 nan 8.180 nan 0.000 0.574 192 T N 2.782 117.537 114.554 0.334 0.000 2.977 192 T HA 0.378 4.728 4.350 -0.000 0.000 0.346 192 T C -0.812 174.010 174.700 0.203 0.000 1.140 192 T CA -0.933 61.285 62.100 0.195 0.000 1.040 192 T CB -0.428 68.558 68.868 0.197 0.000 1.046 192 T HN 0.359 nan 8.240 nan 0.000 0.494 193 V N 4.346 124.346 119.914 0.143 0.000 2.530 193 V HA 0.585 4.705 4.120 -0.000 0.000 0.282 193 V C 0.644 176.894 176.094 0.259 0.000 1.048 193 V CA -0.485 61.870 62.300 0.091 0.000 0.997 193 V CB -0.249 31.645 31.823 0.117 0.000 0.987 193 V HN 0.811 nan 8.190 nan 0.000 0.477 194 F N 1.154 121.112 119.950 0.014 0.000 2.682 194 F HA 0.534 5.061 4.527 -0.000 0.000 0.308 194 F C 0.378 175.933 175.800 -0.409 0.000 1.093 194 F CA -0.294 57.654 58.000 -0.087 0.000 1.244 194 F CB 0.218 39.068 39.000 -0.250 0.000 1.052 194 F HN 0.612 nan 8.300 nan 0.000 0.573 195 Q N 2.076 121.378 119.800 -0.830 0.000 2.380 195 Q HA 0.308 4.648 4.340 -0.000 0.000 0.245 195 Q C -2.138 173.453 176.000 -0.681 0.000 0.893 195 Q CA -0.216 55.177 55.803 -0.684 0.000 0.922 195 Q CB 2.112 30.813 28.738 -0.063 0.000 1.432 195 Q HN 0.398 nan 8.270 nan 0.000 0.434 196 K N 2.886 122.826 120.400 -0.767 0.000 2.427 196 K HA 0.594 4.914 4.320 -0.000 0.000 0.252 196 K C -1.359 175.161 176.600 -0.134 0.000 0.931 196 K CA -0.354 55.709 56.287 -0.374 0.000 0.793 196 K CB 1.320 33.669 32.500 -0.253 0.000 1.211 196 K HN 0.521 nan 8.250 nan 0.000 0.426 197 R N 4.821 125.269 120.500 -0.086 0.000 2.513 197 R HA 0.527 4.867 4.340 -0.000 0.000 0.301 197 R C -0.692 175.569 176.300 -0.065 0.000 0.968 197 R CA -0.659 55.418 56.100 -0.038 0.000 0.872 197 R CB 0.962 31.245 30.300 -0.029 0.000 1.177 197 R HN 0.518 nan 8.270 nan 0.000 0.444 198 L N 0.007 121.144 121.223 -0.143 0.000 3.165 198 L HA 0.248 4.588 4.340 -0.000 0.000 0.222 198 L C 1.120 177.742 176.870 -0.413 0.000 1.797 198 L CA -0.545 54.198 54.840 -0.162 0.000 2.218 198 L CB -0.355 41.652 42.059 -0.085 0.000 2.111 198 L HN 0.348 nan 8.230 nan 0.000 0.620 199 D N 0.920 121.179 120.400 -0.235 0.000 4.769 199 D HA -0.338 4.302 4.640 -0.000 0.000 0.434 199 D C 1.425 177.434 176.300 -0.485 0.000 1.471 199 D CA 2.973 56.841 54.000 -0.219 0.000 1.222 199 D CB -0.649 40.078 40.800 -0.121 0.000 0.703 199 D HN 0.875 nan 8.370 nan 0.000 0.751 200 G N -1.390 107.002 108.800 -0.680 0.000 2.428 200 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.199 200 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.199 200 G C 0.155 174.946 174.900 -0.181 0.000 1.005 200 G CA 0.446 45.082 45.100 -0.772 0.000 0.671 200 G HN 0.426 nan 8.290 nan 0.000 0.485 201 S N 0.549 116.186 115.700 -0.106 0.000 2.415 201 S HA 0.633 5.103 4.470 -0.000 0.000 0.313 201 S C 0.483 175.075 174.600 -0.013 0.000 1.067 201 S CA 0.343 58.524 58.200 -0.032 0.000 1.099 201 S CB 1.690 64.879 63.200 -0.018 0.000 0.991 201 S HN 1.266 nan 8.310 nan 0.000 0.491 202 V N 2.442 122.354 119.914 -0.004 0.000 3.051 202 V HA 0.108 4.228 4.120 -0.000 0.000 0.244 202 V C -1.093 174.922 176.094 -0.132 0.000 1.746 202 V CA 0.595 62.876 62.300 -0.031 0.000 1.010 202 V CB -0.487 31.358 31.823 0.036 0.000 0.967 202 V HN 0.825 nan 8.190 nan 0.000 0.393 203 D N -0.377 120.016 120.400 -0.012 0.000 10.877 203 D HA -0.192 4.448 4.640 -0.000 0.000 0.348 203 D C -0.624 175.593 176.300 -0.138 0.000 3.124 203 D CA 1.350 55.333 54.000 -0.028 0.000 2.670 203 D CB -1.065 39.638 40.800 -0.161 0.000 1.183 203 D HN 0.404 nan 8.370 nan 0.000 0.937 204 F N 0.659 120.506 119.950 -0.172 0.000 2.825 204 F HA 0.239 4.766 4.527 -0.000 0.000 0.322 204 F C 1.239 177.021 175.800 -0.030 0.000 1.127 204 F CA -0.574 57.336 58.000 -0.151 0.000 1.164 204 F CB 0.598 39.696 39.000 0.164 0.000 1.101 204 F HN 0.074 nan 8.300 nan 0.000 0.529 205 K N 1.682 122.082 120.400 0.001 0.000 3.277 205 K HA 0.112 4.432 4.320 -0.000 0.000 0.280 205 K C -0.052 176.437 176.600 -0.185 0.000 1.182 205 K CA 0.022 56.292 56.287 -0.028 0.000 1.219 205 K CB -0.066 32.384 32.500 -0.083 0.000 1.373 205 K HN -0.051 nan 8.250 nan 0.000 0.392 206 K N 1.560 121.907 120.400 -0.087 0.000 2.098 206 K HA 0.132 4.452 4.320 -0.000 0.000 0.261 206 K C 0.340 177.027 176.600 0.144 0.000 0.987 206 K CA -0.692 55.517 56.287 -0.129 0.000 0.916 206 K CB 0.711 33.020 32.500 -0.318 0.000 1.039 206 K HN 0.243 nan 8.250 nan 0.000 0.455 207 N N 0.292 119.043 118.700 0.085 0.000 2.262 207 N HA -0.077 4.663 4.740 -0.000 0.000 0.260 207 N C 1.056 176.870 175.510 0.508 0.000 1.305 207 N CA -0.269 52.987 53.050 0.344 0.000 0.913 207 N CB 0.107 38.797 38.487 0.338 0.000 1.116 207 N HN 0.732 nan 8.380 nan 0.000 0.512 208 W N 0.127 121.609 121.300 0.303 0.000 2.354 208 W HA -0.153 4.507 4.660 0.000 0.000 0.315 208 W C 1.529 178.222 176.519 0.291 0.000 1.206 208 W CA 1.206 58.724 57.345 0.288 0.000 1.290 208 W CB -0.380 29.213 29.460 0.223 0.000 1.152 208 W HN 0.469 nan 8.180 nan 0.000 0.489 209 I N 1.253 122.098 120.570 0.458 0.000 2.118 209 I HA -0.428 3.742 4.170 -0.000 0.000 0.241 209 I C 2.677 178.867 176.117 0.122 0.000 1.070 209 I CA 1.951 63.395 61.300 0.239 0.000 1.327 209 I CB -1.125 37.025 38.000 0.250 0.000 1.034 209 I HN 0.089 nan 8.210 nan 0.000 0.405 210 Q N -0.277 119.631 119.800 0.181 0.000 2.173 210 Q HA -0.260 4.080 4.340 -0.000 0.000 0.208 210 Q C 2.162 178.284 176.000 0.205 0.000 0.989 210 Q CA 1.982 57.887 55.803 0.170 0.000 0.872 210 Q CB -0.280 28.541 28.738 0.138 0.000 0.909 210 Q HN 0.558 nan 8.270 nan 0.000 0.420 211 Y N 0.356 120.718 120.300 0.105 0.000 2.395 211 Y HA -0.082 4.468 4.550 -0.000 0.000 0.293 211 Y C 2.292 178.066 175.900 -0.210 0.000 1.123 211 Y CA 0.889 58.983 58.100 -0.010 0.000 1.227 211 Y CB 0.170 38.590 38.460 -0.066 0.000 1.012 211 Y HN -0.037 nan 8.280 nan 0.000 0.552 212 K N 0.215 120.476 120.400 -0.232 0.000 2.057 212 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 212 K C 0.981 177.428 176.600 -0.256 0.000 1.050 212 K CA 1.473 57.532 56.287 -0.381 0.000 0.935 212 K CB 0.096 32.446 32.500 -0.250 0.000 0.715 212 K HN 0.156 nan 8.250 nan 0.000 0.439 213 E N 0.286 120.402 120.200 -0.139 0.000 2.444 213 E HA 0.110 4.460 4.350 -0.000 0.000 0.191 213 E C 0.442 176.950 176.600 -0.153 0.000 1.041 213 E CA 0.377 56.694 56.400 -0.139 0.000 0.883 213 E CB 0.525 30.183 29.700 -0.068 0.000 1.024 213 E HN 0.509 nan 8.360 nan 0.000 0.470 214 G N 2.004 110.710 108.800 -0.156 0.000 2.877 214 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.279 214 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.279 214 G C -0.358 174.432 174.900 -0.184 0.000 1.431 214 G CA -0.139 44.815 45.100 -0.243 0.000 0.883 214 G HN 0.228 nan 8.290 nan 0.000 0.547 215 F N -2.938 116.964 119.950 -0.080 0.000 2.770 215 F HA 0.822 5.349 4.527 -0.000 0.000 0.313 215 F C 0.683 176.356 175.800 -0.212 0.000 1.154 215 F CA 0.031 57.911 58.000 -0.199 0.000 0.923 215 F CB 0.796 39.613 39.000 -0.305 0.000 1.301 215 F HN 2.542 nan 8.300 nan 0.000 0.449 216 G N 1.183 109.968 108.800 -0.025 0.000 2.512 216 G HA2 0.343 4.303 3.960 -0.000 0.000 0.210 216 G HA3 0.343 4.303 3.960 -0.000 0.000 0.210 216 G C -2.013 172.632 174.900 -0.425 0.000 1.295 216 G CA -0.175 44.776 45.100 -0.248 0.000 0.934 216 G HN 1.827 nan 8.290 nan 0.000 0.554 217 H N -1.334 117.743 119.070 0.012 0.000 2.865 217 H HA 0.712 5.268 4.556 -0.000 0.000 0.362 217 H C -0.077 175.145 175.328 -0.176 0.000 1.114 217 H CA -0.937 55.061 56.048 -0.082 0.000 1.208 217 H CB 0.866 30.583 29.762 -0.074 0.000 1.727 217 H HN 0.574 nan 8.280 nan 0.000 0.534 218 L N 0.983 122.088 121.223 -0.197 0.000 2.468 218 L HA 0.626 4.966 4.340 -0.000 0.000 0.254 218 L C 0.628 177.332 176.870 -0.276 0.000 1.171 218 L CA -0.120 54.467 54.840 -0.423 0.000 0.809 218 L CB 0.986 42.752 42.059 -0.489 0.000 1.155 218 L HN 0.718 nan 8.230 nan 0.000 0.473 219 S N -0.768 114.709 115.700 -0.371 0.000 2.533 219 S HA 0.526 4.996 4.470 -0.000 0.000 0.271 219 S C -2.340 172.051 174.600 -0.348 0.000 1.143 219 S CA -1.086 56.933 58.200 -0.302 0.000 0.891 219 S CB 1.753 64.803 63.200 -0.250 0.000 1.105 219 S HN 0.297 nan 8.310 nan 0.000 0.468 220 P HA -0.065 nan 4.420 nan 0.000 0.214 220 P C 1.414 178.690 177.300 -0.041 0.000 1.163 220 P CA 1.773 64.833 63.100 -0.067 0.000 0.883 220 P CB -0.125 31.544 31.700 -0.052 0.000 0.788 221 T N -1.903 112.599 114.554 -0.087 0.000 2.653 221 T HA -0.101 4.249 4.350 -0.000 0.000 0.268 221 T C 1.609 176.248 174.700 -0.102 0.000 1.035 221 T CA 2.069 64.138 62.100 -0.053 0.000 1.154 221 T CB -1.170 67.661 68.868 -0.062 0.000 0.862 221 T HN 0.392 nan 8.240 nan 0.000 0.441 222 G N 0.838 109.407 108.800 -0.386 0.000 2.184 222 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.206 222 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.206 222 G C 0.348 175.090 174.900 -0.263 0.000 0.995 222 G CA 0.134 44.851 45.100 -0.637 0.000 0.651 222 G HN 0.849 nan 8.290 nan 0.000 0.511 223 T N -1.024 113.427 114.554 -0.172 0.000 3.016 223 T HA 0.624 4.974 4.350 -0.000 0.000 0.335 223 T C -0.294 174.365 174.700 -0.069 0.000 1.176 223 T CA 0.211 62.261 62.100 -0.083 0.000 0.987 223 T CB 1.691 70.524 68.868 -0.058 0.000 1.073 223 T HN 1.351 nan 8.240 nan 0.000 0.547 224 T N 2.122 116.670 114.554 -0.010 0.000 4.063 224 T HA 0.130 4.480 4.350 -0.000 0.000 0.430 224 T C -1.300 173.518 174.700 0.196 0.000 1.293 224 T CA -0.594 61.539 62.100 0.055 0.000 1.109 224 T CB 0.947 69.825 68.868 0.017 0.000 1.320 224 T HN 0.658 nan 8.240 nan 0.000 0.456 225 E N 3.377 123.676 120.200 0.166 0.000 2.384 225 E HA 0.558 4.908 4.350 -0.000 0.000 0.266 225 E C -0.355 176.443 176.600 0.331 0.000 1.012 225 E CA -0.012 56.513 56.400 0.208 0.000 0.901 225 E CB 0.553 30.361 29.700 0.181 0.000 0.967 225 E HN 0.506 nan 8.360 nan 0.000 0.435 226 F N 0.722 120.763 119.950 0.152 0.000 2.741 226 F HA 0.488 5.015 4.527 -0.000 0.000 0.311 226 F C -2.055 173.806 175.800 0.103 0.000 1.149 226 F CA -1.232 56.803 58.000 0.059 0.000 0.930 226 F CB 1.200 40.197 39.000 -0.005 0.000 1.312 226 F HN 0.487 nan 8.300 nan 0.000 0.450 227 W N 6.002 127.205 121.300 -0.163 0.000 2.563 227 W HA 0.359 5.019 4.660 -0.000 0.000 0.301 227 W C -0.220 176.161 176.519 -0.230 0.000 1.006 227 W CA -0.917 56.208 57.345 -0.367 0.000 1.382 227 W CB 1.633 30.471 29.460 -1.037 0.000 1.262 227 W HN 0.914 nan 8.180 nan 0.000 0.403 228 L N 4.712 125.741 121.223 -0.324 0.000 2.054 228 L HA -0.092 4.248 4.340 -0.000 0.000 0.240 228 L C 1.096 177.630 176.870 -0.561 0.000 1.107 228 L CA 3.357 57.992 54.840 -0.341 0.000 0.833 228 L CB -0.782 41.119 42.059 -0.264 0.000 0.929 228 L HN 0.688 nan 8.230 nan 0.000 0.447 229 G N -2.977 105.293 108.800 -0.883 0.000 2.677 229 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.321 229 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.321 229 G C 0.085 174.633 174.900 -0.586 0.000 1.449 229 G CA -0.094 44.676 45.100 -0.551 0.000 1.064 229 G HN 0.192 nan 8.290 nan 0.000 0.627 230 N N 0.683 119.047 118.700 -0.559 0.000 2.144 230 N HA -0.205 4.535 4.740 -0.000 0.000 0.195 230 N C 1.837 176.819 175.510 -0.879 0.000 1.006 230 N CA 1.891 54.362 53.050 -0.965 0.000 0.880 230 N CB 0.082 37.487 38.487 -1.803 0.000 1.018 230 N HN 0.733 nan 8.380 nan 0.000 0.443 231 E N 1.450 121.288 120.200 -0.602 0.000 2.028 231 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 231 E C 1.711 178.180 176.600 -0.218 0.000 0.988 231 E CA 1.316 57.596 56.400 -0.200 0.000 0.799 231 E CB -0.034 29.599 29.700 -0.112 0.000 0.755 231 E HN 0.333 nan 8.360 nan 0.000 0.447 232 K N 0.197 120.342 120.400 -0.426 0.000 2.000 232 K HA -0.188 4.132 4.320 -0.000 0.000 0.218 232 K C 2.302 178.724 176.600 -0.297 0.000 1.053 232 K CA 2.052 58.031 56.287 -0.513 0.000 0.946 232 K CB -0.654 31.429 32.500 -0.694 0.000 0.723 232 K HN 0.215 nan 8.250 nan 0.000 0.446 233 I N 0.782 121.127 120.570 -0.375 0.000 2.236 233 I HA -0.333 3.837 4.170 -0.000 0.000 0.249 233 I C 2.694 178.670 176.117 -0.235 0.000 1.102 233 I CA 1.574 62.647 61.300 -0.377 0.000 1.365 233 I CB -0.723 36.904 38.000 -0.622 0.000 1.051 233 I HN 0.299 nan 8.210 nan 0.000 0.420 234 H N 2.067 121.001 119.070 -0.227 0.000 2.274 234 H HA -0.168 4.388 4.556 -0.000 0.000 0.296 234 H C 2.094 177.352 175.328 -0.116 0.000 1.061 234 H CA 1.979 57.963 56.048 -0.107 0.000 1.226 234 H CB -0.744 29.062 29.762 0.074 0.000 1.370 234 H HN 0.171 nan 8.280 nan 0.000 0.507 235 L N -0.112 120.742 121.223 -0.614 0.000 2.129 235 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 235 L C 2.751 179.445 176.870 -0.293 0.000 1.087 235 L CA 1.451 55.957 54.840 -0.557 0.000 0.757 235 L CB -0.504 41.416 42.059 -0.232 0.000 0.896 235 L HN 0.383 nan 8.230 nan 0.000 0.434 236 I N -0.963 119.479 120.570 -0.213 0.000 2.614 236 I HA -0.188 3.982 4.170 -0.000 0.000 0.258 236 I C 1.632 177.443 176.117 -0.509 0.000 1.189 236 I CA 1.009 62.181 61.300 -0.213 0.000 1.462 236 I CB -0.098 37.831 38.000 -0.118 0.000 1.092 236 I HN 0.207 nan 8.210 nan 0.000 0.442 237 S N -1.386 114.013 115.700 -0.502 0.000 2.559 237 S HA 0.107 4.577 4.470 -0.000 0.000 0.226 237 S C 1.421 175.838 174.600 -0.305 0.000 1.000 237 S CA -0.086 57.736 58.200 -0.630 0.000 0.948 237 S CB 0.471 63.356 63.200 -0.526 0.000 0.870 237 S HN 0.291 nan 8.310 nan 0.000 0.497 238 T N 2.377 116.777 114.554 -0.256 0.000 3.014 238 T HA 0.066 4.416 4.350 -0.000 0.000 0.250 238 T C 0.626 175.283 174.700 -0.072 0.000 1.060 238 T CA -0.095 61.919 62.100 -0.144 0.000 1.040 238 T CB -0.018 68.725 68.868 -0.209 0.000 0.971 238 T HN 0.615 nan 8.240 nan 0.000 0.497 239 Q N 2.378 122.137 119.800 -0.068 0.000 2.281 239 Q HA 0.527 4.867 4.340 -0.000 0.000 0.267 239 Q C -0.372 175.668 176.000 0.067 0.000 1.053 239 Q CA -0.264 55.540 55.803 0.001 0.000 0.905 239 Q CB 0.187 28.929 28.738 0.006 0.000 1.195 239 Q HN 0.117 nan 8.270 nan 0.000 0.398 240 S N 0.919 116.648 115.700 0.047 0.000 3.976 240 S HA -0.137 4.333 4.470 -0.000 0.000 0.652 240 S C 0.260 174.896 174.600 0.061 0.000 1.522 240 S CA -0.010 58.222 58.200 0.054 0.000 1.667 240 S CB -1.201 62.037 63.200 0.064 0.000 0.332 240 S HN 1.111 nan 8.310 nan 0.000 1.594 241 A N 0.084 122.934 122.820 0.051 0.000 2.307 241 A HA 0.447 4.767 4.320 -0.000 0.000 0.218 241 A C 0.798 178.418 177.584 0.060 0.000 1.228 241 A CA 0.272 52.338 52.037 0.048 0.000 0.857 241 A CB -0.739 18.282 19.000 0.033 0.000 0.897 241 A HN 0.857 nan 8.150 nan 0.000 0.495 242 I N -0.755 119.860 120.570 0.074 0.000 2.421 242 I HA 0.344 4.514 4.170 -0.000 0.000 0.291 242 I C -2.715 173.460 176.117 0.097 0.000 1.089 242 I CA -1.939 59.395 61.300 0.057 0.000 1.354 242 I CB 0.089 38.092 38.000 0.006 0.000 1.413 242 I HN -0.110 nan 8.210 nan 0.000 0.513 243 P HA 0.152 nan 4.420 nan 0.000 0.270 243 P C -1.173 176.215 177.300 0.147 0.000 1.227 243 P CA 0.498 63.681 63.100 0.139 0.000 0.788 243 P CB 0.349 32.082 31.700 0.055 0.000 0.926 244 Y N -0.388 120.004 120.300 0.153 0.000 2.693 244 Y HA 0.732 5.282 4.550 -0.000 0.000 0.331 244 Y C 0.287 176.362 175.900 0.292 0.000 1.092 244 Y CA -0.563 57.670 58.100 0.222 0.000 1.131 244 Y CB 1.484 40.076 38.460 0.221 0.000 1.318 244 Y HN 0.412 nan 8.280 nan 0.000 0.510 245 A N 0.622 123.757 122.820 0.524 0.000 2.564 245 A HA 0.818 5.138 4.320 -0.000 0.000 0.288 245 A C -2.436 175.359 177.584 0.351 0.000 1.164 245 A CA -0.623 51.666 52.037 0.420 0.000 0.712 245 A CB 1.843 21.074 19.000 0.384 0.000 1.303 245 A HN 0.646 nan 8.150 nan 0.000 0.418 246 L N -0.137 121.181 121.223 0.158 0.000 2.422 246 L HA 0.829 5.169 4.340 -0.000 0.000 0.264 246 L C -0.485 176.339 176.870 -0.077 0.000 0.984 246 L CA -0.275 54.496 54.840 -0.114 0.000 0.819 246 L CB 2.007 43.718 42.059 -0.580 0.000 1.330 246 L HN 0.768 nan 8.230 nan 0.000 0.410 247 R N 4.234 124.549 120.500 -0.309 0.000 2.402 247 R HA 0.551 4.891 4.340 -0.000 0.000 0.290 247 R C -1.546 174.509 176.300 -0.409 0.000 1.321 247 R CA -0.541 55.342 56.100 -0.361 0.000 1.283 247 R CB 0.863 30.739 30.300 -0.705 0.000 1.111 247 R HN 0.587 nan 8.270 nan 0.000 0.578 248 V N 4.146 123.881 119.914 -0.298 0.000 2.359 248 V HA 0.012 4.132 4.120 -0.000 0.000 0.248 248 V C 0.586 176.371 176.094 -0.514 0.000 1.091 248 V CA 0.368 62.410 62.300 -0.429 0.000 1.103 248 V CB 0.120 31.616 31.823 -0.546 0.000 1.176 248 V HN 0.671 nan 8.190 nan 0.000 0.488 249 E N 5.058 124.982 120.200 -0.461 0.000 2.301 249 E HA 0.658 5.008 4.350 -0.000 0.000 0.275 249 E C -0.968 175.384 176.600 -0.413 0.000 1.030 249 E CA -0.528 55.618 56.400 -0.423 0.000 0.852 249 E CB 1.027 30.518 29.700 -0.349 0.000 1.060 249 E HN 0.603 nan 8.360 nan 0.000 0.401 250 L N 2.336 123.301 121.223 -0.429 0.000 2.341 250 L HA 0.623 4.963 4.340 -0.000 0.000 0.254 250 L C -0.632 176.144 176.870 -0.157 0.000 1.040 250 L CA -0.959 53.694 54.840 -0.312 0.000 0.837 250 L CB 2.135 43.975 42.059 -0.365 0.000 1.425 250 L HN 0.580 nan 8.230 nan 0.000 0.414 251 E N 0.465 120.670 120.200 0.008 0.000 2.335 251 E HA 0.288 4.638 4.350 -0.000 0.000 0.280 251 E C -2.023 174.592 176.600 0.026 0.000 0.918 251 E CA -0.633 55.824 56.400 0.094 0.000 0.765 251 E CB 2.303 31.973 29.700 -0.049 0.000 1.218 251 E HN 0.713 nan 8.360 nan 0.000 0.425 252 D N 1.389 121.846 120.400 0.096 0.000 2.423 252 D HA 0.163 4.803 4.640 -0.000 0.000 0.255 252 D C -0.000 176.258 176.300 -0.070 0.000 1.174 252 D CA -0.409 53.575 54.000 -0.028 0.000 1.008 252 D CB 0.317 41.172 40.800 0.091 0.000 1.101 252 D HN 0.458 nan 8.370 nan 0.000 0.516 253 W N -0.694 120.684 121.300 0.130 0.000 3.430 253 W HA 0.243 4.903 4.660 -0.000 0.000 0.383 253 W C 1.100 177.676 176.519 0.095 0.000 1.129 253 W CA -0.231 57.178 57.345 0.106 0.000 1.805 253 W CB -0.644 28.887 29.460 0.118 0.000 0.966 253 W HN 0.495 nan 8.180 nan 0.000 0.797 254 N N -0.716 118.113 118.700 0.215 0.000 2.646 254 N HA 0.192 4.932 4.740 -0.000 0.000 0.214 254 N C 1.723 177.295 175.510 0.103 0.000 1.042 254 N CA 1.507 54.643 53.050 0.143 0.000 0.925 254 N CB 0.367 38.920 38.487 0.110 0.000 1.383 254 N HN -0.009 nan 8.380 nan 0.000 0.439 255 G N -0.476 108.375 108.800 0.086 0.000 2.738 255 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.195 255 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.195 255 G C -0.358 174.588 174.900 0.077 0.000 1.001 255 G CA -0.579 44.559 45.100 0.064 0.000 0.759 255 G HN 0.177 nan 8.290 nan 0.000 0.494 256 R N 2.367 122.938 120.500 0.118 0.000 2.216 256 R HA 0.496 4.836 4.340 -0.000 0.000 0.332 256 R C 0.534 176.987 176.300 0.255 0.000 1.056 256 R CA 0.565 56.763 56.100 0.163 0.000 0.901 256 R CB 0.800 31.211 30.300 0.185 0.000 1.039 256 R HN 0.378 nan 8.270 nan 0.000 0.456 257 T N -0.582 114.057 114.554 0.142 0.000 2.934 257 T HA 0.525 4.875 4.350 -0.000 0.000 0.283 257 T C 0.401 175.063 174.700 -0.063 0.000 1.005 257 T CA -0.724 61.409 62.100 0.054 0.000 1.041 257 T CB 1.709 70.550 68.868 -0.044 0.000 1.042 257 T HN 0.521 nan 8.240 nan 0.000 0.505 258 S N 0.256 115.731 115.700 -0.376 0.000 2.740 258 S HA 0.819 5.289 4.470 -0.000 0.000 0.300 258 S C -0.413 173.899 174.600 -0.480 0.000 1.147 258 S CA -0.768 57.123 58.200 -0.515 0.000 0.871 258 S CB 1.686 64.221 63.200 -1.110 0.000 1.173 258 S HN 1.079 nan 8.310 nan 0.000 0.510 259 T N -0.998 113.331 114.554 -0.375 0.000 2.831 259 T HA 0.803 5.153 4.350 -0.000 0.000 0.287 259 T C -1.827 172.756 174.700 -0.196 0.000 1.070 259 T CA -0.215 61.712 62.100 -0.289 0.000 1.010 259 T CB 1.374 70.144 68.868 -0.163 0.000 1.264 259 T HN 1.887 nan 8.240 nan 0.000 0.532 260 A N 2.460 125.226 122.820 -0.089 0.000 2.512 260 A HA 0.567 4.887 4.320 -0.000 0.000 0.290 260 A C -1.893 175.854 177.584 0.271 0.000 1.041 260 A CA -0.759 51.383 52.037 0.176 0.000 0.911 260 A CB 0.718 19.820 19.000 0.170 0.000 1.407 260 A HN 0.758 nan 8.150 nan 0.000 0.398 261 D N 1.156 121.707 120.400 0.251 0.000 2.192 261 D HA 0.648 5.288 4.640 -0.000 0.000 0.246 261 D C -1.225 175.190 176.300 0.193 0.000 1.042 261 D CA 0.097 54.231 54.000 0.222 0.000 0.847 261 D CB 1.164 42.039 40.800 0.125 0.000 1.186 261 D HN 0.389 nan 8.370 nan 0.000 0.461 262 Y N 0.605 120.941 120.300 0.060 0.000 2.373 262 Y HA 0.577 5.127 4.550 -0.000 0.000 0.336 262 Y C 0.169 176.027 175.900 -0.070 0.000 0.979 262 Y CA -1.451 56.610 58.100 -0.065 0.000 1.080 262 Y CB 1.610 39.778 38.460 -0.486 0.000 1.190 262 Y HN 0.488 nan 8.280 nan 0.000 0.446 263 A N 3.857 126.622 122.820 -0.093 0.000 2.304 263 A HA 0.529 4.849 4.320 -0.000 0.000 0.271 263 A C 1.032 178.564 177.584 -0.088 0.000 1.091 263 A CA -0.185 51.747 52.037 -0.175 0.000 0.812 263 A CB 0.296 18.851 19.000 -0.742 0.000 1.056 263 A HN 1.110 nan 8.150 nan 0.000 0.489 264 M N 0.082 119.652 119.600 -0.050 0.000 2.872 264 M HA -0.179 4.301 4.480 -0.000 0.000 0.183 264 M C -0.354 176.023 176.300 0.128 0.000 0.631 264 M CA 0.370 55.677 55.300 0.012 0.000 0.672 264 M CB -1.470 31.088 32.600 -0.071 0.000 2.432 264 M HN 0.837 nan 8.290 nan 0.000 0.376 265 F N 4.118 124.122 119.950 0.091 0.000 2.635 265 F HA 0.239 4.766 4.527 -0.000 0.000 0.379 265 F C 0.452 176.267 175.800 0.025 0.000 1.094 265 F CA 1.840 59.868 58.000 0.047 0.000 1.300 265 F CB 0.402 39.406 39.000 0.006 0.000 1.035 265 F HN 0.239 nan 8.300 nan 0.000 0.581 266 K N 5.141 124.835 120.400 -1.176 0.000 2.633 266 K HA 0.493 4.813 4.320 -0.000 0.000 0.268 266 K C -2.224 173.964 176.600 -0.686 0.000 1.005 266 K CA -0.953 54.820 56.287 -0.857 0.000 0.976 266 K CB 0.191 32.492 32.500 -0.332 0.000 1.372 266 K HN 0.586 nan 8.250 nan 0.000 0.420 267 V N 0.252 119.846 119.914 -0.533 0.000 2.394 267 V HA 0.776 4.896 4.120 -0.000 0.000 0.282 267 V C 0.779 176.892 176.094 0.032 0.000 1.031 267 V CA 0.132 62.320 62.300 -0.187 0.000 0.881 267 V CB 1.007 32.825 31.823 -0.008 0.000 0.982 267 V HN 0.881 nan 8.190 nan 0.000 0.451 268 G N 4.805 113.611 108.800 0.009 0.000 2.683 268 G HA2 0.442 4.402 3.960 -0.000 0.000 0.260 268 G HA3 0.442 4.402 3.960 -0.000 0.000 0.260 268 G C -2.194 172.480 174.900 -0.377 0.000 1.238 268 G CA -0.951 44.112 45.100 -0.062 0.000 0.934 268 G HN 0.782 nan 8.290 nan 0.000 0.534 269 P HA 0.038 nan 4.420 nan 0.000 0.273 269 P C 0.509 177.320 177.300 -0.815 0.000 1.250 269 P CA -0.197 62.316 63.100 -0.979 0.000 0.793 269 P CB 1.087 32.480 31.700 -0.512 0.000 1.011 270 E N 0.926 120.544 120.200 -0.971 0.000 2.265 270 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 270 E C 1.783 178.142 176.600 -0.402 0.000 0.996 270 E CA 1.179 56.927 56.400 -1.087 0.000 0.832 270 E CB -0.380 29.007 29.700 -0.521 0.000 0.756 270 E HN 0.462 nan 8.360 nan 0.000 0.491 271 A N 1.132 123.787 122.820 -0.275 0.000 1.986 271 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 271 A C 1.814 179.329 177.584 -0.114 0.000 1.171 271 A CA 1.940 53.893 52.037 -0.140 0.000 0.640 271 A CB -0.299 18.637 19.000 -0.107 0.000 0.811 271 A HN 0.244 nan 8.150 nan 0.000 0.451 272 D N -1.360 118.953 120.400 -0.145 0.000 2.388 272 D HA 0.128 4.768 4.640 -0.000 0.000 0.221 272 D C -0.101 176.195 176.300 -0.007 0.000 1.133 272 D CA 0.043 54.005 54.000 -0.064 0.000 0.831 272 D CB -0.027 40.740 40.800 -0.054 0.000 0.962 272 D HN 0.148 nan 8.370 nan 0.000 0.502 273 K N -0.175 120.203 120.400 -0.037 0.000 3.192 273 K HA -0.263 4.057 4.320 -0.000 0.000 0.278 273 K C -0.442 176.349 176.600 0.318 0.000 1.164 273 K CA 0.435 56.848 56.287 0.210 0.000 0.816 273 K CB -3.032 29.615 32.500 0.245 0.000 1.256 273 K HN 0.561 nan 8.250 nan 0.000 0.497 274 Y N -1.261 119.156 120.300 0.195 0.000 3.234 274 Y HA -0.305 4.245 4.550 -0.000 0.000 0.207 274 Y C 0.941 177.072 175.900 0.384 0.000 1.316 274 Y CA 0.845 59.039 58.100 0.157 0.000 1.309 274 Y CB -1.325 37.140 38.460 0.009 0.000 1.408 274 Y HN 0.303 nan 8.280 nan 0.000 0.544 275 R N 1.813 122.507 120.500 0.323 0.000 2.522 275 R HA 0.309 4.649 4.340 -0.000 0.000 0.284 275 R C 0.019 176.396 176.300 0.129 0.000 1.032 275 R CA -0.267 56.012 56.100 0.298 0.000 1.049 275 R CB 0.381 30.763 30.300 0.137 0.000 0.956 275 R HN 0.468 nan 8.270 nan 0.000 0.422 276 L N 4.018 125.180 121.223 -0.103 0.000 2.275 276 L HA 0.484 4.824 4.340 -0.000 0.000 0.288 276 L C -0.885 175.792 176.870 -0.321 0.000 1.046 276 L CA -0.020 54.515 54.840 -0.507 0.000 0.805 276 L CB 1.867 42.989 42.059 -1.563 0.000 1.193 276 L HN 0.716 nan 8.230 nan 0.000 0.426 277 T N 3.298 117.702 114.554 -0.249 0.000 2.942 277 T HA 0.542 4.892 4.350 -0.000 0.000 0.327 277 T C -1.057 173.604 174.700 -0.065 0.000 1.360 277 T CA -0.271 61.726 62.100 -0.171 0.000 1.055 277 T CB 0.904 69.679 68.868 -0.154 0.000 1.261 277 T HN 0.699 nan 8.240 nan 0.000 0.485 278 Y N 1.148 121.393 120.300 -0.091 0.000 3.257 278 Y HA 0.898 5.448 4.550 -0.000 0.000 0.292 278 Y C 1.061 176.953 175.900 -0.014 0.000 1.790 278 Y CA -0.486 57.588 58.100 -0.044 0.000 1.007 278 Y CB 0.243 38.726 38.460 0.039 0.000 1.436 278 Y HN 0.564 nan 8.280 nan 0.000 0.592 279 A N -1.106 121.787 122.820 0.121 0.000 2.026 279 A HA 0.500 4.820 4.320 -0.000 0.000 0.198 279 A C -0.573 177.174 177.584 0.271 0.000 1.390 279 A CA 0.930 53.021 52.037 0.089 0.000 0.915 279 A CB -0.045 18.988 19.000 0.055 0.000 0.974 279 A HN 0.989 nan 8.150 nan 0.000 0.477 280 Y N -4.119 116.405 120.300 0.374 0.000 2.814 280 Y HA 0.588 5.138 4.550 -0.000 0.000 0.348 280 Y C -1.440 174.778 175.900 0.529 0.000 1.245 280 Y CA -2.476 55.851 58.100 0.378 0.000 1.086 280 Y CB 0.171 38.743 38.460 0.188 0.000 1.373 280 Y HN 0.194 nan 8.280 nan 0.000 0.451 281 F N 2.876 123.132 119.950 0.509 0.000 2.404 281 F HA 0.891 5.418 4.527 -0.000 0.000 0.354 281 F C 0.225 176.177 175.800 0.253 0.000 1.122 281 F CA -0.726 57.328 58.000 0.091 0.000 1.080 281 F CB 0.789 39.777 39.000 -0.019 0.000 1.131 281 F HN 0.972 nan 8.300 nan 0.000 0.471 282 A N 4.693 127.372 122.820 -0.236 0.000 3.037 282 A HA 0.669 4.989 4.320 -0.000 0.000 0.192 282 A C 0.895 177.945 177.584 -0.890 0.000 2.048 282 A CA 0.026 51.929 52.037 -0.224 0.000 0.928 282 A CB -1.116 17.911 19.000 0.044 0.000 1.895 282 A HN 0.993 nan 8.150 nan 0.000 0.777 283 G N -2.725 105.815 108.800 -0.433 0.000 2.621 283 G HA2 0.548 4.508 3.960 -0.000 0.000 0.271 283 G HA3 0.548 4.508 3.960 -0.000 0.000 0.271 283 G C 0.155 174.939 174.900 -0.193 0.000 1.236 283 G CA 0.023 44.901 45.100 -0.369 0.000 0.958 283 G HN 1.941 nan 8.290 nan 0.000 0.512 284 G N -0.544 108.269 108.800 0.021 0.000 1.837 284 G HA2 0.327 4.287 3.960 -0.000 0.000 0.207 284 G HA3 0.327 4.287 3.960 -0.000 0.000 0.207 284 G C -0.364 174.638 174.900 0.169 0.000 1.659 284 G CA 0.126 45.339 45.100 0.187 0.000 0.956 284 G HN 0.770 nan 8.290 nan 0.000 0.655 285 D N 0.426 120.849 120.400 0.038 0.000 2.346 285 D HA 0.393 5.033 4.640 -0.000 0.000 0.248 285 D C 1.570 177.827 176.300 -0.073 0.000 1.173 285 D CA 0.788 54.803 54.000 0.026 0.000 0.878 285 D CB 0.798 41.604 40.800 0.011 0.000 0.919 285 D HN 0.623 nan 8.370 nan 0.000 0.513 286 A N -0.042 122.717 122.820 -0.102 0.000 2.211 286 A HA 0.649 4.969 4.320 -0.000 0.000 0.208 286 A C 1.219 178.933 177.584 0.217 0.000 1.250 286 A CA 0.166 52.023 52.037 -0.299 0.000 0.935 286 A CB 0.192 18.832 19.000 -0.600 0.000 0.982 286 A HN 0.646 nan 8.150 nan 0.000 0.490 287 G N -0.156 108.805 108.800 0.269 0.000 2.692 287 G HA2 0.043 4.003 3.960 -0.000 0.000 0.686 287 G HA3 0.043 4.003 3.960 -0.000 0.000 0.686 287 G C -0.948 173.985 174.900 0.055 0.000 1.243 287 G CA -0.158 45.069 45.100 0.212 0.000 0.782 287 G HN 0.363 nan 8.290 nan 0.000 0.625 288 D N 0.975 121.191 120.400 -0.306 0.000 2.416 288 D HA 0.545 5.185 4.640 -0.000 0.000 0.240 288 D C 1.285 177.392 176.300 -0.321 0.000 1.250 288 D CA 0.738 54.388 54.000 -0.584 0.000 0.967 288 D CB 0.580 40.935 40.800 -0.742 0.000 1.059 288 D HN 0.931 nan 8.370 nan 0.000 0.512 289 A N 3.489 125.934 122.820 -0.626 0.000 2.072 289 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 289 A C 1.545 178.803 177.584 -0.544 0.000 1.156 289 A CA 0.149 51.587 52.037 -0.998 0.000 0.701 289 A CB -0.414 17.131 19.000 -2.425 0.000 0.816 289 A HN 0.581 nan 8.150 nan 0.000 0.458 290 F N -0.384 119.508 119.950 -0.098 0.000 2.816 290 F HA 0.019 4.546 4.527 -0.000 0.000 0.302 290 F C 1.650 177.628 175.800 0.296 0.000 1.178 290 F CA 0.629 58.736 58.000 0.178 0.000 1.421 290 F CB 0.116 39.263 39.000 0.245 0.000 1.114 290 F HN 0.266 nan 8.300 nan 0.000 0.573 291 D N -0.521 120.050 120.400 0.286 0.000 2.301 291 D HA 0.168 4.808 4.640 -0.000 0.000 0.206 291 D C 1.066 177.434 176.300 0.113 0.000 0.979 291 D CA 1.088 55.209 54.000 0.202 0.000 0.874 291 D CB 0.390 41.272 40.800 0.135 0.000 0.968 291 D HN 0.141 nan 8.370 nan 0.000 0.510 292 G N 0.488 109.357 108.800 0.115 0.000 2.978 292 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.193 292 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.193 292 G C -0.410 174.482 174.900 -0.014 0.000 1.038 292 G CA -0.594 44.541 45.100 0.058 0.000 1.103 292 G HN 0.249 nan 8.290 nan 0.000 0.574 293 F N 3.031 122.871 119.950 -0.183 0.000 2.538 293 F HA 0.295 4.822 4.527 -0.000 0.000 0.382 293 F C 0.963 176.377 175.800 -0.644 0.000 1.069 293 F CA -0.048 57.788 58.000 -0.274 0.000 1.138 293 F CB 0.642 39.543 39.000 -0.165 0.000 1.068 293 F HN 0.400 nan 8.300 nan 0.000 0.556 294 D N 7.131 126.994 120.400 -0.894 0.000 2.435 294 D HA -0.026 4.614 4.640 -0.000 0.000 0.230 294 D C 0.986 176.710 176.300 -0.960 0.000 1.215 294 D CA -0.200 53.289 54.000 -0.852 0.000 0.947 294 D CB -0.142 40.409 40.800 -0.415 0.000 1.048 294 D HN 0.476 nan 8.370 nan 0.000 0.512 295 F N 1.992 121.737 119.950 -0.343 0.000 2.008 295 F HA -0.001 4.526 4.527 -0.000 0.000 0.297 295 F C 2.279 178.002 175.800 -0.128 0.000 1.156 295 F CA 1.416 59.310 58.000 -0.177 0.000 1.191 295 F CB -0.493 38.556 39.000 0.080 0.000 0.955 295 F HN 0.523 nan 8.300 nan 0.000 0.497 296 G N -1.285 107.605 108.800 0.149 0.000 4.791 296 G HA2 0.136 4.096 3.960 -0.000 0.000 0.219 296 G HA3 0.136 4.096 3.960 -0.000 0.000 0.219 296 G C -1.456 173.489 174.900 0.075 0.000 0.699 296 G CA -0.476 44.664 45.100 0.066 0.000 1.017 296 G HN 0.223 nan 8.290 nan 0.000 0.670 297 D N 2.194 122.658 120.400 0.107 0.000 2.453 297 D HA 0.523 5.163 4.640 -0.000 0.000 0.238 297 D C -0.759 175.568 176.300 0.044 0.000 1.088 297 D CA 0.109 54.157 54.000 0.081 0.000 0.854 297 D CB 1.518 42.389 40.800 0.117 0.000 1.076 297 D HN 0.118 nan 8.370 nan 0.000 0.533 298 D N 1.640 122.052 120.400 0.019 0.000 10.770 298 D HA -0.114 4.526 4.640 -0.000 0.000 0.340 298 D C -2.110 174.196 176.300 0.009 0.000 3.132 298 D CA -0.273 53.733 54.000 0.009 0.000 2.696 298 D CB -0.404 40.397 40.800 0.002 0.000 1.209 298 D HN 0.270 nan 8.370 nan 0.000 0.941 299 P HA 0.043 nan 4.420 nan 0.000 0.244 299 P C 0.288 177.612 177.300 0.040 0.000 1.211 299 P CA 0.675 63.778 63.100 0.004 0.000 0.760 299 P CB 0.372 32.066 31.700 -0.009 0.000 0.961 300 S N -0.613 115.140 115.700 0.089 0.000 2.327 300 S HA -0.048 4.422 4.470 -0.000 0.000 0.157 300 S C 1.021 175.742 174.600 0.202 0.000 1.227 300 S CA 0.450 58.792 58.200 0.238 0.000 1.907 300 S CB -0.752 62.620 63.200 0.287 0.000 0.563 300 S HN 0.143 nan 8.310 nan 0.000 0.377 301 D N 0.704 121.215 120.400 0.185 0.000 4.583 301 D HA -0.304 4.336 4.640 -0.000 0.000 0.265 301 D C 1.380 177.709 176.300 0.049 0.000 0.609 301 D CA 2.277 56.295 54.000 0.031 0.000 1.649 301 D CB -1.177 39.483 40.800 -0.233 0.000 0.984 301 D HN 0.292 nan 8.370 nan 0.000 0.385 302 K N 0.592 120.990 120.400 -0.002 0.000 2.030 302 K HA -0.143 4.177 4.320 -0.000 0.000 0.222 302 K C 1.587 178.221 176.600 0.057 0.000 1.056 302 K CA 1.792 58.099 56.287 0.034 0.000 0.957 302 K CB -0.775 31.804 32.500 0.133 0.000 0.727 302 K HN 0.296 nan 8.250 nan 0.000 0.452 303 F N -0.644 119.272 119.950 -0.057 0.000 2.843 303 F HA 0.217 4.744 4.527 -0.000 0.000 0.290 303 F C 0.351 175.944 175.800 -0.345 0.000 1.221 303 F CA 0.004 57.899 58.000 -0.175 0.000 1.413 303 F CB 0.036 38.894 39.000 -0.236 0.000 1.019 303 F HN 0.010 nan 8.300 nan 0.000 0.512 304 F N -2.070 117.913 119.950 0.055 0.000 2.885 304 F HA -0.011 4.516 4.527 -0.000 0.000 0.389 304 F C 1.831 177.627 175.800 -0.006 0.000 0.904 304 F CA 0.336 58.353 58.000 0.028 0.000 1.047 304 F CB -0.009 39.006 39.000 0.025 0.000 1.113 304 F HN -0.140 nan 8.300 nan 0.000 0.579 305 T N -1.471 113.178 114.554 0.159 0.000 3.145 305 T HA 0.228 4.578 4.350 -0.000 0.000 0.255 305 T C 0.716 175.463 174.700 0.078 0.000 1.039 305 T CA 0.290 62.453 62.100 0.105 0.000 0.928 305 T CB -0.391 68.551 68.868 0.122 0.000 1.029 305 T HN 0.098 nan 8.240 nan 0.000 0.554 306 S N 1.084 116.815 115.700 0.051 0.000 2.601 306 S HA 0.307 4.777 4.470 -0.000 0.000 0.271 306 S C 0.102 174.775 174.600 0.122 0.000 1.305 306 S CA -0.496 57.799 58.200 0.158 0.000 1.022 306 S CB 0.629 63.846 63.200 0.027 0.000 0.940 306 S HN 0.418 nan 8.310 nan 0.000 0.525 307 H N 0.063 119.337 119.070 0.340 0.000 2.893 307 H HA 0.348 4.904 4.556 -0.000 0.000 0.270 307 H C 0.134 175.566 175.328 0.173 0.000 1.095 307 H CA -0.392 55.888 56.048 0.386 0.000 1.186 307 H CB -0.277 29.910 29.762 0.708 0.000 1.562 307 H HN 0.751 nan 8.280 nan 0.000 0.536 308 N N 0.883 119.680 118.700 0.162 0.000 2.402 308 N HA 0.249 4.989 4.740 -0.000 0.000 0.259 308 N C 0.814 176.270 175.510 -0.090 0.000 1.167 308 N CA 0.636 53.615 53.050 -0.118 0.000 0.949 308 N CB 0.047 38.304 38.487 -0.384 0.000 1.212 308 N HN 0.528 nan 8.380 nan 0.000 0.493 309 G N 2.911 111.670 108.800 -0.068 0.000 2.284 309 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.201 309 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.201 309 G C 0.275 175.212 174.900 0.061 0.000 0.998 309 G CA -0.490 44.596 45.100 -0.024 0.000 0.651 309 G HN 0.420 nan 8.290 nan 0.000 0.489 310 M N 1.117 120.793 119.600 0.127 0.000 2.113 310 M HA 0.387 4.867 4.480 -0.000 0.000 0.288 310 M C 1.139 177.666 176.300 0.379 0.000 1.225 310 M CA 0.412 55.857 55.300 0.242 0.000 1.148 310 M CB -0.163 32.631 32.600 0.323 0.000 1.388 310 M HN 0.434 nan 8.290 nan 0.000 0.469 311 Q N -0.502 119.559 119.800 0.435 0.000 2.448 311 Q HA 0.536 4.876 4.340 -0.000 0.000 0.192 311 Q C -1.362 175.035 176.000 0.662 0.000 1.001 311 Q CA -0.646 55.478 55.803 0.534 0.000 1.018 311 Q CB 1.045 29.980 28.738 0.328 0.000 1.290 311 Q HN 0.502 nan 8.270 nan 0.000 0.517 312 F N 0.356 120.501 119.950 0.324 0.000 2.458 312 F HA 0.406 4.933 4.527 -0.000 0.000 0.336 312 F C -0.719 175.257 175.800 0.294 0.000 1.114 312 F CA -0.203 57.815 58.000 0.030 0.000 0.987 312 F CB 1.758 40.684 39.000 -0.123 0.000 1.130 312 F HN 0.278 nan 8.300 nan 0.000 0.458 313 S N 2.081 117.702 115.700 -0.132 0.000 2.600 313 S HA 0.835 5.305 4.470 -0.000 0.000 0.300 313 S C -0.765 173.770 174.600 -0.107 0.000 1.087 313 S CA -0.659 57.551 58.200 0.017 0.000 0.965 313 S CB 2.016 65.200 63.200 -0.027 0.000 1.089 313 S HN 0.736 nan 8.310 nan 0.000 0.496 314 T N -1.197 113.420 114.554 0.105 0.000 2.843 314 T HA 0.358 4.708 4.350 -0.000 0.000 0.302 314 T C 0.623 175.446 174.700 0.205 0.000 1.232 314 T CA -0.921 61.252 62.100 0.122 0.000 1.009 314 T CB 0.695 69.775 68.868 0.352 0.000 1.254 314 T HN 0.798 nan 8.240 nan 0.000 0.504 315 W N 2.637 123.947 121.300 0.017 0.000 2.296 315 W HA -0.173 4.487 4.660 0.000 0.000 0.282 315 W C -0.486 176.042 176.519 0.015 0.000 1.207 315 W CA 2.315 59.669 57.345 0.015 0.000 1.183 315 W CB -0.732 28.751 29.460 0.038 0.000 1.135 315 W HN 0.845 nan 8.180 nan 0.000 0.557 316 D N -0.630 119.851 120.400 0.134 0.000 2.837 316 D HA 0.164 4.804 4.640 -0.000 0.000 0.340 316 D C -1.234 175.053 176.300 -0.021 0.000 1.451 316 D CA -0.383 53.560 54.000 -0.095 0.000 0.798 316 D CB -1.241 39.594 40.800 0.057 0.000 1.169 316 D HN 0.035 nan 8.370 nan 0.000 0.449 317 N N 0.312 118.998 118.700 -0.023 0.000 2.812 317 N HA 0.173 4.913 4.740 -0.000 0.000 0.262 317 N C -2.273 173.179 175.510 -0.096 0.000 1.241 317 N CA -0.249 52.720 53.050 -0.134 0.000 0.854 317 N CB 1.410 39.737 38.487 -0.266 0.000 1.506 317 N HN -0.015 nan 8.380 nan 0.000 0.576 318 D N 1.290 121.612 120.400 -0.131 0.000 2.317 318 D HA 0.398 5.038 4.640 -0.000 0.000 0.234 318 D C -0.543 175.712 176.300 -0.076 0.000 1.112 318 D CA -0.078 53.861 54.000 -0.101 0.000 0.840 318 D CB 0.553 41.272 40.800 -0.135 0.000 1.078 318 D HN 0.508 nan 8.370 nan 0.000 0.486 319 N N 2.352 121.044 118.700 -0.013 0.000 2.475 319 N HA 0.135 4.875 4.740 -0.000 0.000 0.272 319 N C -1.315 174.247 175.510 0.088 0.000 1.482 319 N CA -0.557 52.511 53.050 0.029 0.000 0.863 319 N CB 0.595 39.118 38.487 0.060 0.000 1.400 319 N HN 0.377 nan 8.380 nan 0.000 0.489 320 D N -0.696 119.749 120.400 0.075 0.000 2.487 320 D HA 0.228 4.868 4.640 -0.000 0.000 0.262 320 D C 0.173 176.561 176.300 0.147 0.000 1.130 320 D CA -0.542 53.533 54.000 0.126 0.000 1.038 320 D CB 0.910 41.784 40.800 0.123 0.000 1.142 320 D HN -0.289 nan 8.370 nan 0.000 0.575 321 K N 0.205 120.725 120.400 0.200 0.000 3.165 321 K HA 0.278 4.598 4.320 -0.000 0.000 0.259 321 K C -0.959 175.831 176.600 0.318 0.000 1.282 321 K CA -0.361 56.067 56.287 0.234 0.000 1.259 321 K CB -0.888 31.765 32.500 0.254 0.000 1.546 321 K HN 0.507 nan 8.250 nan 0.000 0.384 322 F N 0.809 120.790 119.950 0.050 0.000 2.656 322 F HA 0.001 4.528 4.527 -0.000 0.000 0.326 322 F C 1.043 176.837 175.800 -0.011 0.000 1.109 322 F CA -0.679 57.325 58.000 0.007 0.000 1.086 322 F CB 1.192 40.182 39.000 -0.017 0.000 1.324 322 F HN 0.100 nan 8.300 nan 0.000 0.511 323 E N 2.918 123.197 120.200 0.132 0.000 2.171 323 E HA -0.106 4.244 4.350 -0.000 0.000 0.197 323 E C 1.090 177.339 176.600 -0.586 0.000 0.997 323 E CA 1.066 57.370 56.400 -0.160 0.000 0.810 323 E CB -0.704 28.961 29.700 -0.059 0.000 0.738 323 E HN 0.701 nan 8.360 nan 0.000 0.467 324 G N 4.464 112.269 108.800 -1.658 0.000 2.326 324 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.286 324 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.286 324 G C 0.392 174.780 174.900 -0.853 0.000 0.927 324 G CA 0.059 44.031 45.100 -1.881 0.000 1.553 324 G HN 0.371 nan 8.290 nan 0.000 0.415 325 N N 2.756 121.165 118.700 -0.484 0.000 2.736 325 N HA -0.067 4.673 4.740 -0.000 0.000 0.307 325 N C 1.435 176.821 175.510 -0.207 0.000 1.212 325 N CA 0.014 52.898 53.050 -0.278 0.000 1.158 325 N CB -0.420 37.928 38.487 -0.233 0.000 1.460 325 N HN 0.277 nan 8.380 nan 0.000 0.514 326 c N 1.398 119.888 118.600 -0.182 0.000 2.347 326 c HA -0.316 4.254 4.570 -0.000 0.000 0.270 326 c C 2.833 176.910 174.090 -0.021 0.000 1.145 326 c CA 1.572 57.858 56.329 -0.070 0.000 1.802 326 c CB -1.542 40.967 42.510 -0.002 0.000 2.084 326 c HN 0.844 nan 8.230 nan 0.000 0.446 327 A N 0.054 122.865 122.820 -0.014 0.000 1.958 327 A HA -0.295 4.025 4.320 -0.000 0.000 0.221 327 A C 1.976 179.624 177.584 0.105 0.000 1.178 327 A CA 2.526 54.591 52.037 0.047 0.000 0.642 327 A CB -0.622 18.417 19.000 0.065 0.000 0.816 327 A HN 0.705 nan 8.150 nan 0.000 0.453 328 E N -0.170 120.065 120.200 0.058 0.000 2.015 328 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 328 E C 2.195 178.829 176.600 0.057 0.000 0.991 328 E CA 1.568 58.014 56.400 0.077 0.000 0.802 328 E CB -0.322 29.345 29.700 -0.056 0.000 0.759 328 E HN 0.626 nan 8.360 nan 0.000 0.447 329 Q N 0.139 119.932 119.800 -0.011 0.000 2.248 329 Q HA -0.167 4.173 4.340 -0.000 0.000 0.208 329 Q C 0.769 176.834 176.000 0.109 0.000 0.984 329 Q CA 1.536 57.330 55.803 -0.014 0.000 0.875 329 Q CB -0.067 28.598 28.738 -0.121 0.000 0.910 329 Q HN 0.426 nan 8.270 nan 0.000 0.433 330 D N -1.402 119.068 120.400 0.116 0.000 2.855 330 D HA 0.230 4.870 4.640 -0.000 0.000 0.257 330 D C 0.808 177.189 176.300 0.134 0.000 1.542 330 D CA 1.121 55.208 54.000 0.145 0.000 1.164 330 D CB 0.048 40.906 40.800 0.095 0.000 1.004 330 D HN 0.228 nan 8.370 nan 0.000 0.293 331 G N 0.035 108.917 108.800 0.137 0.000 2.767 331 G HA2 0.343 4.303 3.960 -0.000 0.000 0.228 331 G HA3 0.343 4.303 3.960 -0.000 0.000 0.228 331 G C -0.115 174.888 174.900 0.171 0.000 1.271 331 G CA 0.359 45.542 45.100 0.138 0.000 1.029 331 G HN 0.589 nan 8.290 nan 0.000 0.543 332 S N -1.660 114.151 115.700 0.185 0.000 2.862 332 S HA 0.918 5.388 4.470 -0.000 0.000 0.300 332 S C -0.075 174.532 174.600 0.011 0.000 1.240 332 S CA 0.007 58.354 58.200 0.246 0.000 1.025 332 S CB 1.408 64.793 63.200 0.309 0.000 1.340 332 S HN 1.807 nan 8.310 nan 0.000 0.544 333 G N -0.721 107.966 108.800 -0.188 0.000 2.659 333 G HA2 0.670 4.630 3.960 -0.000 0.000 0.296 333 G HA3 0.670 4.630 3.960 -0.000 0.000 0.296 333 G C -1.737 172.786 174.900 -0.628 0.000 1.369 333 G CA -0.580 44.038 45.100 -0.804 0.000 0.937 333 G HN 0.803 nan 8.290 nan 0.000 0.485 334 W N 0.253 120.686 121.300 -1.446 0.000 2.643 334 W HA 0.261 4.921 4.660 -0.000 0.000 0.453 334 W C -1.265 174.713 176.519 -0.902 0.000 0.954 334 W CA -0.778 55.986 57.345 -0.969 0.000 1.247 334 W CB 0.774 30.220 29.460 -0.024 0.000 1.433 334 W HN 0.485 nan 8.180 nan 0.000 0.624 335 W N 4.348 125.772 121.300 0.208 0.000 2.102 335 W HA 0.222 4.882 4.660 -0.000 0.000 0.357 335 W C 0.408 177.189 176.519 0.437 0.000 0.717 335 W CA -0.356 57.180 57.345 0.318 0.000 2.518 335 W CB -0.142 29.523 29.460 0.341 0.000 2.010 335 W HN -0.110 nan 8.180 nan 0.000 0.672 336 M N 0.998 120.872 119.600 0.456 0.000 2.203 336 M HA -0.188 4.292 4.480 -0.000 0.000 0.285 336 M C 1.237 177.664 176.300 0.212 0.000 1.093 336 M CA 1.349 56.831 55.300 0.304 0.000 1.126 336 M CB 0.162 32.865 32.600 0.171 0.000 1.374 336 M HN 0.199 nan 8.290 nan 0.000 0.426 337 N N -0.551 118.245 118.700 0.158 0.000 2.425 337 N HA -0.004 4.736 4.740 -0.000 0.000 0.317 337 N C 0.363 175.991 175.510 0.196 0.000 0.662 337 N CA 0.319 53.471 53.050 0.170 0.000 0.791 337 N CB 0.323 38.865 38.487 0.092 0.000 2.252 337 N HN 0.575 nan 8.380 nan 0.000 1.331 338 K N 0.609 121.087 120.400 0.130 0.000 2.438 338 K HA 0.346 4.666 4.320 -0.000 0.000 0.206 338 K C 0.503 177.110 176.600 0.012 0.000 1.081 338 K CA 0.118 56.435 56.287 0.050 0.000 1.053 338 K CB -0.003 32.543 32.500 0.076 0.000 0.908 338 K HN 0.333 nan 8.250 nan 0.000 0.556 339 c N 0.461 119.064 118.600 0.005 0.000 4.225 339 c HA 0.254 4.824 4.570 -0.000 0.000 0.181 339 c C 0.951 175.051 174.090 0.017 0.000 2.211 339 c CA 0.186 56.542 56.329 0.045 0.000 1.241 339 c CB -1.374 41.186 42.510 0.083 0.000 1.739 339 c HN 0.625 nan 8.230 nan 0.000 0.611 340 H N 0.921 120.037 119.070 0.076 0.000 3.016 340 H HA 0.386 4.942 4.556 -0.000 0.000 0.345 340 H C 0.128 175.593 175.328 0.228 0.000 1.066 340 H CA 0.372 56.484 56.048 0.107 0.000 1.390 340 H CB 0.296 29.919 29.762 -0.231 0.000 1.344 340 H HN 0.588 nan 8.280 nan 0.000 0.605 341 A N 1.767 124.897 122.820 0.517 0.000 2.653 341 A HA 0.486 4.806 4.320 -0.000 0.000 0.248 341 A C 1.343 179.010 177.584 0.138 0.000 1.211 341 A CA 0.175 52.486 52.037 0.457 0.000 0.991 341 A CB -0.075 19.184 19.000 0.432 0.000 1.252 341 A HN 1.324 nan 8.150 nan 0.000 0.593 342 G N 0.496 109.300 108.800 0.006 0.000 4.806 342 G HA2 0.191 4.151 3.960 -0.000 0.000 0.222 342 G HA3 0.191 4.151 3.960 -0.000 0.000 0.222 342 G C -0.200 174.506 174.900 -0.323 0.000 0.789 342 G CA 0.038 44.972 45.100 -0.277 0.000 1.154 342 G HN 0.746 nan 8.290 nan 0.000 0.693 343 H N 0.713 119.373 119.070 -0.684 0.000 2.803 343 H HA 0.403 4.959 4.556 -0.000 0.000 0.330 343 H C -0.084 174.600 175.328 -1.073 0.000 1.057 343 H CA -0.487 54.546 56.048 -1.691 0.000 1.458 343 H CB 1.100 29.896 29.762 -1.609 0.000 1.470 343 H HN 0.222 nan 8.280 nan 0.000 0.560 344 L N 2.325 122.719 121.223 -1.382 0.000 2.959 344 L HA 0.422 4.762 4.340 -0.000 0.000 0.236 344 L C -0.029 176.458 176.870 -0.639 0.000 1.296 344 L CA -0.277 54.115 54.840 -0.747 0.000 1.047 344 L CB -0.226 41.667 42.059 -0.277 0.000 1.395 344 L HN 0.420 nan 8.230 nan 0.000 0.492 345 N N 0.175 118.316 118.700 -0.931 0.000 2.113 345 N HA 0.180 4.920 4.740 -0.000 0.000 0.223 345 N C 1.081 176.305 175.510 -0.476 0.000 1.310 345 N CA 0.464 53.107 53.050 -0.678 0.000 0.896 345 N CB 1.091 39.513 38.487 -0.108 0.000 1.097 345 N HN 0.530 nan 8.380 nan 0.000 0.507 346 G N 0.725 109.219 108.800 -0.511 0.000 2.379 346 G HA2 0.179 4.139 3.960 -0.000 0.000 0.287 346 G HA3 0.179 4.139 3.960 -0.000 0.000 0.287 346 G C 0.128 174.969 174.900 -0.099 0.000 1.422 346 G CA -0.162 44.888 45.100 -0.082 0.000 1.081 346 G HN -0.046 nan 8.290 nan 0.000 0.569 347 V N -0.396 119.471 119.914 -0.079 0.000 2.775 347 V HA 0.156 4.276 4.120 -0.000 0.000 0.299 347 V C -0.390 175.612 176.094 -0.152 0.000 1.062 347 V CA -0.291 61.892 62.300 -0.194 0.000 1.063 347 V CB 1.291 32.802 31.823 -0.519 0.000 0.994 347 V HN 0.473 nan 8.190 nan 0.000 0.483 348 Y N 4.504 124.672 120.300 -0.219 0.000 2.595 348 Y HA 0.403 4.953 4.550 -0.000 0.000 0.347 348 Y C -0.448 175.394 175.900 -0.097 0.000 1.025 348 Y CA -0.671 57.394 58.100 -0.058 0.000 1.295 348 Y CB 0.058 38.527 38.460 0.016 0.000 1.147 348 Y HN 0.563 nan 8.280 nan 0.000 0.515 349 Y N 3.962 124.133 120.300 -0.215 0.000 2.486 349 Y HA 0.145 4.695 4.550 -0.000 0.000 0.348 349 Y C 0.587 176.328 175.900 -0.265 0.000 1.000 349 Y CA -0.474 57.514 58.100 -0.187 0.000 1.253 349 Y CB 0.291 38.630 38.460 -0.202 0.000 1.140 349 Y HN 0.505 nan 8.280 nan 0.000 0.526 350 Q N 2.338 122.094 119.800 -0.074 0.000 2.275 350 Q HA 0.248 4.588 4.340 -0.000 0.000 0.293 350 Q C 1.058 176.704 176.000 -0.590 0.000 1.129 350 Q CA 1.408 57.077 55.803 -0.224 0.000 0.971 350 Q CB -0.086 28.621 28.738 -0.052 0.000 1.098 350 Q HN 0.954 nan 8.270 nan 0.000 0.386 351 G N 2.302 110.186 108.800 -1.528 0.000 2.175 351 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.244 351 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.244 351 G C 0.513 174.392 174.900 -1.702 0.000 0.982 351 G CA -0.024 44.061 45.100 -1.691 0.000 0.641 351 G HN 1.559 nan 8.290 nan 0.000 0.527 352 G N -1.475 106.584 108.800 -1.235 0.000 2.846 352 G HA2 0.403 4.363 3.960 -0.000 0.000 0.660 352 G HA3 0.403 4.363 3.960 -0.000 0.000 0.660 352 G C 0.298 175.268 174.900 0.117 0.000 1.464 352 G CA 0.763 45.754 45.100 -0.182 0.000 0.891 352 G HN 2.364 nan 8.290 nan 0.000 0.552 353 T N -1.015 113.809 114.554 0.450 0.000 0.600 353 T HA 0.134 4.484 4.350 -0.000 0.000 0.767 353 T C -0.299 174.513 174.700 0.187 0.000 0.991 353 T CA 2.176 64.440 62.100 0.274 0.000 4.044 353 T CB -1.221 67.690 68.868 0.071 0.000 2.284 353 T HN 2.179 nan 8.240 nan 0.000 0.395 354 Y N 0.187 120.451 120.300 -0.061 0.000 2.615 354 Y HA 0.803 5.353 4.550 -0.000 0.000 0.341 354 Y C -0.019 175.944 175.900 0.105 0.000 1.089 354 Y CA -0.836 57.195 58.100 -0.114 0.000 1.049 354 Y CB 1.050 39.139 38.460 -0.619 0.000 1.296 354 Y HN 0.633 nan 8.280 nan 0.000 0.470 355 S N 0.091 115.877 115.700 0.144 0.000 2.747 355 S HA 0.354 4.824 4.470 -0.000 0.000 0.300 355 S C 0.499 175.255 174.600 0.261 0.000 1.121 355 S CA -0.719 57.500 58.200 0.031 0.000 0.995 355 S CB 1.968 65.153 63.200 -0.026 0.000 1.113 355 S HN 0.913 nan 8.310 nan 0.000 0.547 356 K N -0.146 120.333 120.400 0.131 0.000 2.362 356 K HA 0.069 4.389 4.320 -0.000 0.000 0.200 356 K C 1.752 178.481 176.600 0.215 0.000 1.046 356 K CA 0.994 57.457 56.287 0.294 0.000 0.952 356 K CB -0.629 31.950 32.500 0.132 0.000 0.753 356 K HN 0.699 nan 8.250 nan 0.000 0.466 357 A N -0.017 122.889 122.820 0.143 0.000 2.072 357 A HA 0.020 4.340 4.320 -0.000 0.000 0.216 357 A C 1.826 179.506 177.584 0.160 0.000 1.156 357 A CA 0.952 53.063 52.037 0.124 0.000 0.701 357 A CB -0.136 18.907 19.000 0.071 0.000 0.816 357 A HN 0.282 nan 8.150 nan 0.000 0.458 358 S N 0.529 116.359 115.700 0.216 0.000 2.537 358 S HA -0.043 4.427 4.470 -0.000 0.000 0.240 358 S C 1.019 175.772 174.600 0.255 0.000 0.981 358 S CA 1.082 59.434 58.200 0.252 0.000 0.948 358 S CB -0.646 62.767 63.200 0.355 0.000 0.759 358 S HN 0.812 nan 8.310 nan 0.000 0.531 359 T N -0.320 114.381 114.554 0.246 0.000 2.902 359 T HA 0.404 4.754 4.350 -0.000 0.000 0.283 359 T C -2.106 172.687 174.700 0.155 0.000 1.009 359 T CA -1.980 60.246 62.100 0.210 0.000 1.051 359 T CB 1.362 70.377 68.868 0.245 0.000 0.999 359 T HN -0.181 nan 8.240 nan 0.000 0.474 360 P HA -0.119 nan 4.420 nan 0.000 0.216 360 P C 1.432 178.789 177.300 0.095 0.000 1.150 360 P CA 1.000 64.157 63.100 0.095 0.000 0.837 360 P CB 0.103 31.851 31.700 0.080 0.000 0.786 361 N N -1.827 116.941 118.700 0.114 0.000 2.368 361 N HA 0.038 4.778 4.740 -0.000 0.000 0.178 361 N C 1.178 176.770 175.510 0.138 0.000 1.021 361 N CA 1.392 54.507 53.050 0.108 0.000 0.875 361 N CB -0.388 38.155 38.487 0.094 0.000 1.020 361 N HN 0.198 nan 8.380 nan 0.000 0.433 362 G N -0.020 108.894 108.800 0.191 0.000 2.189 362 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.113 362 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.113 362 G C -1.052 174.037 174.900 0.314 0.000 1.038 362 G CA -0.304 44.924 45.100 0.214 0.000 0.704 362 G HN 0.416 nan 8.290 nan 0.000 0.490 363 Y N 0.954 121.341 120.300 0.144 0.000 2.686 363 Y HA 0.677 5.227 4.550 -0.000 0.000 0.330 363 Y C -0.433 175.560 175.900 0.155 0.000 1.082 363 Y CA -0.627 57.555 58.100 0.136 0.000 1.158 363 Y CB 1.779 40.299 38.460 0.100 0.000 1.333 363 Y HN 0.263 nan 8.280 nan 0.000 0.519 364 D N 0.707 120.972 120.400 -0.226 0.000 2.419 364 D HA 0.398 5.038 4.640 -0.000 0.000 0.234 364 D C -1.365 174.951 176.300 0.025 0.000 1.014 364 D CA -0.391 53.528 54.000 -0.134 0.000 0.919 364 D CB 2.325 42.749 40.800 -0.626 0.000 1.366 364 D HN 0.902 nan 8.370 nan 0.000 0.490 365 N N -0.856 117.822 118.700 -0.036 0.000 3.465 365 N HA 0.480 5.220 4.740 -0.000 0.000 0.332 365 N C -0.427 175.000 175.510 -0.138 0.000 1.492 365 N CA -0.767 52.197 53.050 -0.144 0.000 0.867 365 N CB 0.794 39.314 38.487 0.055 0.000 1.899 365 N HN 0.874 nan 8.380 nan 0.000 0.502 366 G N 0.197 108.990 108.800 -0.013 0.000 2.690 366 G HA2 0.010 3.970 3.960 -0.000 0.000 0.686 366 G HA3 0.010 3.970 3.960 -0.000 0.000 0.686 366 G C -0.173 174.580 174.900 -0.244 0.000 1.277 366 G CA -0.452 44.586 45.100 -0.103 0.000 0.799 366 G HN 1.140 nan 8.290 nan 0.000 0.613 367 I N 0.052 120.475 120.570 -0.246 0.000 2.996 367 I HA 0.351 4.521 4.170 -0.000 0.000 0.285 367 I C 0.673 176.703 176.117 -0.145 0.000 1.173 367 I CA 0.584 61.733 61.300 -0.252 0.000 1.396 367 I CB -1.672 36.228 38.000 -0.167 0.000 1.470 367 I HN 0.816 nan 8.210 nan 0.000 0.586 368 I N 3.705 124.194 120.570 -0.135 0.000 2.582 368 I HA 0.544 4.714 4.170 -0.000 0.000 0.292 368 I C -1.078 175.101 176.117 0.104 0.000 1.066 368 I CA -0.765 60.524 61.300 -0.019 0.000 1.053 368 I CB 2.591 40.544 38.000 -0.079 0.000 1.241 368 I HN 0.621 nan 8.210 nan 0.000 0.421 369 W N 6.852 128.135 121.300 -0.029 0.000 2.416 369 W HA 0.505 5.165 4.660 0.000 0.000 0.294 369 W C 0.783 177.306 176.519 0.007 0.000 0.966 369 W CA -0.328 57.004 57.345 -0.020 0.000 1.686 369 W CB 1.784 31.274 29.460 0.050 0.000 1.612 369 W HN 1.034 nan 8.180 nan 0.000 0.420 370 A N 2.369 125.029 122.820 -0.266 0.000 1.906 370 A HA -0.408 3.912 4.320 -0.000 0.000 0.236 370 A C 1.842 179.077 177.584 -0.581 0.000 1.793 370 A CA 3.507 55.351 52.037 -0.322 0.000 0.813 370 A CB -1.561 17.330 19.000 -0.182 0.000 0.841 370 A HN 0.688 nan 8.150 nan 0.000 0.491 371 T N -5.742 108.414 114.554 -0.664 0.000 3.438 371 T HA -0.025 4.325 4.350 -0.000 0.000 0.263 371 T C 0.636 175.342 174.700 0.010 0.000 1.199 371 T CA 1.494 63.328 62.100 -0.444 0.000 1.019 371 T CB -0.327 68.368 68.868 -0.288 0.000 0.942 371 T HN 0.725 nan 8.240 nan 0.000 0.562 372 W N 0.539 121.765 121.300 -0.123 0.000 4.853 372 W HA 0.408 5.068 4.660 -0.000 0.000 0.186 372 W C -0.394 176.165 176.519 0.067 0.000 1.039 372 W CA -0.168 57.223 57.345 0.075 0.000 1.894 372 W CB 0.764 30.391 29.460 0.278 0.000 0.673 372 W HN -0.169 nan 8.180 nan 0.000 1.004 373 K N 0.359 120.841 120.400 0.137 0.000 2.395 373 K HA 0.370 4.690 4.320 -0.000 0.000 0.245 373 K C -0.078 176.558 176.600 0.059 0.000 1.017 373 K CA -0.212 56.087 56.287 0.019 0.000 0.852 373 K CB 0.662 33.242 32.500 0.133 0.000 1.311 373 K HN -0.072 nan 8.250 nan 0.000 0.452 374 T N -1.451 113.153 114.554 0.084 0.000 2.937 374 T HA 0.044 4.394 4.350 -0.000 0.000 0.316 374 T C 1.178 175.941 174.700 0.106 0.000 1.079 374 T CA -0.034 62.127 62.100 0.102 0.000 1.131 374 T CB 0.608 69.525 68.868 0.082 0.000 1.000 374 T HN 0.564 nan 8.240 nan 0.000 0.549 375 R N 1.321 121.886 120.500 0.108 0.000 2.355 375 R HA -0.037 4.303 4.340 -0.000 0.000 0.219 375 R C 0.157 176.241 176.300 -0.360 0.000 1.107 375 R CA 0.937 56.966 56.100 -0.118 0.000 1.021 375 R CB 0.037 30.206 30.300 -0.219 0.000 0.852 375 R HN 0.802 nan 8.270 nan 0.000 0.475 376 W N -0.150 120.971 121.300 -0.299 0.000 1.903 376 W HA 0.122 4.782 4.660 -0.000 0.000 0.349 376 W C -1.124 175.145 176.519 -0.417 0.000 0.814 376 W CA -0.671 56.231 57.345 -0.738 0.000 2.728 376 W CB 0.411 29.438 29.460 -0.722 0.000 1.621 376 W HN -0.080 nan 8.180 nan 0.000 0.644 377 Y N 1.053 121.319 120.300 -0.057 0.000 2.322 377 Y HA 0.366 4.916 4.550 -0.000 0.000 0.324 377 Y C -0.398 175.607 175.900 0.176 0.000 1.027 377 Y CA -1.215 56.924 58.100 0.064 0.000 1.179 377 Y CB 1.024 39.481 38.460 -0.006 0.000 1.136 377 Y HN -0.208 nan 8.280 nan 0.000 0.449 378 S N 6.148 121.899 115.700 0.085 0.000 2.523 378 S HA 0.457 4.927 4.470 -0.000 0.000 0.275 378 S C 0.389 174.859 174.600 -0.216 0.000 1.281 378 S CA -0.518 57.648 58.200 -0.056 0.000 1.050 378 S CB 0.190 63.422 63.200 0.052 0.000 0.937 378 S HN 0.740 nan 8.310 nan 0.000 0.492 379 M N 4.118 123.576 119.600 -0.238 0.000 1.783 379 M HA 0.274 4.754 4.480 -0.000 0.000 0.186 379 M C 1.421 177.437 176.300 -0.473 0.000 1.303 379 M CA 1.016 56.130 55.300 -0.310 0.000 0.833 379 M CB 0.153 32.649 32.600 -0.174 0.000 1.174 379 M HN 0.800 nan 8.290 nan 0.000 0.378 380 K N -0.772 119.229 120.400 -0.665 0.000 2.485 380 K HA 0.237 4.557 4.320 -0.000 0.000 0.200 380 K C -0.549 175.876 176.600 -0.292 0.000 1.352 380 K CA 0.343 55.999 56.287 -1.053 0.000 0.953 380 K CB 0.775 32.225 32.500 -1.749 0.000 1.387 380 K HN 0.460 nan 8.250 nan 0.000 0.512 381 K N 0.793 121.054 120.400 -0.231 0.000 2.469 381 K HA 0.362 4.682 4.320 -0.000 0.000 0.254 381 K C -1.346 175.179 176.600 -0.124 0.000 0.939 381 K CA -0.746 55.468 56.287 -0.122 0.000 0.812 381 K CB 2.399 34.818 32.500 -0.135 0.000 1.301 381 K HN -0.052 nan 8.250 nan 0.000 0.433 382 T N -0.538 113.945 114.554 -0.118 0.000 2.804 382 T HA 0.643 4.993 4.350 -0.000 0.000 0.290 382 T C -1.028 173.554 174.700 -0.197 0.000 1.099 382 T CA -0.817 61.183 62.100 -0.167 0.000 1.011 382 T CB 1.966 70.748 68.868 -0.144 0.000 1.291 382 T HN 0.627 nan 8.240 nan 0.000 0.523 383 T N 0.726 115.124 114.554 -0.260 0.000 3.402 383 T HA 0.337 4.687 4.350 -0.000 0.000 0.413 383 T C -2.116 172.323 174.700 -0.434 0.000 1.695 383 T CA -0.590 61.315 62.100 -0.324 0.000 1.127 383 T CB 0.361 69.069 68.868 -0.266 0.000 1.562 383 T HN 0.587 nan 8.240 nan 0.000 0.470 384 M N 4.742 123.982 119.600 -0.600 0.000 2.018 384 M HA 0.434 4.914 4.480 -0.000 0.000 0.311 384 M C -0.186 175.620 176.300 -0.823 0.000 0.928 384 M CA -0.689 54.116 55.300 -0.824 0.000 0.911 384 M CB 1.483 33.274 32.600 -1.348 0.000 1.447 384 M HN 0.413 nan 8.290 nan 0.000 0.407 385 K N 2.494 122.528 120.400 -0.609 0.000 2.109 385 K HA 0.777 5.097 4.320 -0.000 0.000 0.243 385 K C -0.777 175.742 176.600 -0.134 0.000 1.006 385 K CA -0.713 55.313 56.287 -0.436 0.000 0.917 385 K CB 2.222 34.112 32.500 -1.016 0.000 1.081 385 K HN 0.616 nan 8.250 nan 0.000 0.468 386 I N 1.187 121.944 120.570 0.313 0.000 2.649 386 I HA 0.398 4.568 4.170 -0.000 0.000 0.289 386 I C -1.990 174.543 176.117 0.693 0.000 1.222 386 I CA -0.869 60.735 61.300 0.506 0.000 1.046 386 I CB 1.243 39.528 38.000 0.474 0.000 1.272 386 I HN 0.520 nan 8.210 nan 0.000 0.425 387 I N 9.441 130.403 120.570 0.655 0.000 2.802 387 I HA 0.595 4.765 4.170 -0.000 0.000 0.298 387 I C -2.477 173.651 176.117 0.017 0.000 1.176 387 I CA -2.277 59.158 61.300 0.224 0.000 1.025 387 I CB 2.981 40.799 38.000 -0.304 0.000 1.243 387 I HN 0.322 nan 8.210 nan 0.000 0.424 388 P HA -0.011 nan 4.420 nan 0.000 0.267 388 P C 0.825 178.026 177.300 -0.165 0.000 1.200 388 P CA 0.129 62.843 63.100 -0.643 0.000 0.772 388 P CB 0.431 31.710 31.700 -0.702 0.000 0.855 389 F N 4.399 124.250 119.950 -0.164 0.000 2.087 389 F HA -0.280 4.247 4.527 -0.000 0.000 0.299 389 F C 1.977 177.737 175.800 -0.067 0.000 1.100 389 F CA 2.466 60.434 58.000 -0.053 0.000 1.226 389 F CB -1.192 37.805 39.000 -0.005 0.000 0.983 389 F HN 0.473 nan 8.300 nan 0.000 0.479 390 N N -0.750 117.857 118.700 -0.155 0.000 2.588 390 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 390 N C 1.470 176.828 175.510 -0.254 0.000 1.094 390 N CA 0.291 53.205 53.050 -0.226 0.000 0.921 390 N CB -0.308 38.114 38.487 -0.109 0.000 0.959 390 N HN 0.091 nan 8.380 nan 0.000 0.448 391 R N 0.151 120.491 120.500 -0.266 0.000 2.316 391 R HA 0.274 4.614 4.340 -0.000 0.000 0.202 391 R C 0.057 176.202 176.300 -0.260 0.000 1.029 391 R CA 0.267 56.206 56.100 -0.269 0.000 1.018 391 R CB -0.508 29.596 30.300 -0.327 0.000 0.888 391 R HN 0.368 nan 8.270 nan 0.000 0.471 392 L N 0.000 121.051 121.223 -0.286 0.000 2.949 392 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 392 L CA 0.000 54.699 54.840 -0.234 0.000 0.813 392 L CB 0.000 41.962 42.059 -0.161 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502