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 1ojl_1_B DATA FIRST_RESID 139 DATA SEQUENCE SHMIGSSPAM QHLLNEIAMV APSDATVLIH GDSGTGKELV ARALHACSAR DATA SEQUENCE SDRPLVTLNC AALNESLLES ELFGHEKGAF TGADKRREGR FVEADGGTLF DATA SEQUENCE LDEIGDISPL MQVRLLRAIQ EREVQRVGSN QTISVDVRLI AATHRDLAEE DATA SEQUENCE VSAGRFRQDL YYRLNVVAIE MPSLRQRRED IPLLADHFLR RFAERNRKVV DATA SEQUENCE KGFTPQAMDL LIHYDWPGNI RELENAIERA VVLLTGEYIS ERELPLAIAA DATA SEQUENCE T 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 139 S HA 0.000 nan 4.470 nan 0.000 0.327 139 S C 0.000 174.581 174.600 -0.032 0.000 1.055 139 S CA 0.000 58.183 58.200 -0.029 0.000 1.107 139 S CB 0.000 63.186 63.200 -0.024 0.000 0.593 140 H N 1.709 120.755 119.070 -0.039 0.000 2.329 140 H HA 0.542 5.098 4.556 -0.000 0.000 0.306 140 H C 1.344 176.634 175.328 -0.063 0.000 1.062 140 H CA 1.407 57.428 56.048 -0.045 0.000 1.364 140 H CB -0.322 29.411 29.762 -0.048 0.000 1.409 140 H HN 0.862 nan 8.280 nan 0.000 0.519 141 M N 0.568 120.125 119.600 -0.071 0.000 2.248 141 M HA 0.293 4.773 4.480 -0.000 0.000 0.337 141 M C -0.685 175.564 176.300 -0.084 0.000 1.121 141 M CA -0.321 54.924 55.300 -0.092 0.000 1.155 141 M CB 0.497 33.053 32.600 -0.073 0.000 1.514 141 M HN 0.209 nan 8.290 nan 0.000 0.452 142 I N 3.027 123.529 120.570 -0.113 0.000 2.671 142 I HA 0.085 4.255 4.170 -0.000 0.000 0.285 142 I C 1.263 177.348 176.117 -0.054 0.000 1.148 142 I CA 1.007 62.254 61.300 -0.088 0.000 1.386 142 I CB -0.127 37.804 38.000 -0.114 0.000 1.406 142 I HN 0.845 nan 8.210 nan 0.000 0.540 143 G N 4.673 113.451 108.800 -0.037 0.000 2.667 143 G HA2 0.293 4.253 3.960 -0.000 0.000 0.250 143 G HA3 0.293 4.253 3.960 -0.000 0.000 0.250 143 G C 0.175 175.066 174.900 -0.015 0.000 1.212 143 G CA -0.121 44.965 45.100 -0.023 0.000 0.874 143 G HN 0.879 nan 8.290 nan 0.000 0.561 144 S N -0.844 114.851 115.700 -0.009 0.000 2.890 144 S HA 0.202 4.672 4.470 -0.000 0.000 0.349 144 S C 0.270 174.868 174.600 -0.003 0.000 1.211 144 S CA 0.634 58.832 58.200 -0.003 0.000 0.988 144 S CB -0.262 62.939 63.200 0.002 0.000 0.666 144 S HN 1.978 nan 8.310 nan 0.000 0.472 145 S N 1.842 117.542 115.700 -0.000 0.000 2.547 145 S HA 0.592 5.062 4.470 -0.000 0.000 0.270 145 S C -2.442 172.161 174.600 0.005 0.000 1.150 145 S CA -1.098 57.100 58.200 -0.002 0.000 0.850 145 S CB 1.671 64.867 63.200 -0.007 0.000 1.118 145 S HN 0.485 nan 8.310 nan 0.000 0.461 146 P HA -0.312 nan 4.420 nan 0.000 0.207 146 P C 1.682 178.999 177.300 0.028 0.000 1.115 146 P CA 2.676 65.780 63.100 0.006 0.000 0.956 146 P CB -0.606 31.087 31.700 -0.012 0.000 0.774 147 A N -0.518 122.315 122.820 0.022 0.000 1.915 147 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 147 A C 2.342 179.969 177.584 0.070 0.000 1.198 147 A CA 3.316 55.389 52.037 0.060 0.000 0.647 147 A CB -1.666 17.355 19.000 0.035 0.000 0.825 147 A HN 0.226 nan 8.150 nan 0.000 0.456 148 M N -0.687 118.932 119.600 0.032 0.000 2.460 148 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 148 M C 1.930 178.244 176.300 0.024 0.000 1.071 148 M CA 1.769 57.079 55.300 0.018 0.000 1.096 148 M CB -0.603 31.997 32.600 -0.000 0.000 1.408 148 M HN 0.619 nan 8.290 nan 0.000 0.463 149 Q N -1.658 118.168 119.800 0.043 0.000 2.163 149 Q HA -0.159 4.181 4.340 -0.000 0.000 0.198 149 Q C 2.134 178.185 176.000 0.085 0.000 0.954 149 Q CA 0.955 56.785 55.803 0.045 0.000 0.851 149 Q CB -0.247 28.515 28.738 0.039 0.000 0.928 149 Q HN 0.735 nan 8.270 nan 0.000 0.459 150 H N 0.082 119.146 119.070 -0.010 0.000 2.457 150 H HA -0.078 4.478 4.556 0.001 0.000 0.294 150 H C 2.027 177.351 175.328 -0.007 0.000 1.064 150 H CA 0.689 56.733 56.048 -0.007 0.000 1.330 150 H CB 0.284 30.043 29.762 -0.006 0.000 1.395 150 H HN 0.284 nan 8.280 nan 0.000 0.541 151 L N 0.695 121.892 121.223 -0.043 0.000 2.109 151 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 151 L C 2.000 178.807 176.870 -0.105 0.000 1.086 151 L CA 0.783 55.543 54.840 -0.134 0.000 0.760 151 L CB -0.080 41.945 42.059 -0.057 0.000 0.910 151 L HN 0.302 nan 8.230 nan 0.000 0.437 152 L N -0.195 120.995 121.223 -0.055 0.000 2.376 152 L HA -0.140 4.200 4.340 -0.000 0.000 0.219 152 L C 2.219 179.058 176.870 -0.051 0.000 1.133 152 L CA 0.568 55.379 54.840 -0.047 0.000 0.816 152 L CB -0.764 41.278 42.059 -0.028 0.000 0.933 152 L HN 0.306 nan 8.230 nan 0.000 0.449 153 N N 0.355 119.020 118.700 -0.058 0.000 2.290 153 N HA -0.126 4.614 4.740 -0.000 0.000 0.179 153 N C 1.703 177.166 175.510 -0.079 0.000 1.016 153 N CA 1.008 54.034 53.050 -0.040 0.000 0.871 153 N CB 0.295 38.792 38.487 0.017 0.000 0.987 153 N HN 0.422 nan 8.380 nan 0.000 0.431 154 E N 0.569 120.669 120.200 -0.166 0.000 2.028 154 E HA -0.042 4.308 4.350 -0.000 0.000 0.191 154 E C 2.040 178.582 176.600 -0.095 0.000 0.988 154 E CA 0.737 57.039 56.400 -0.162 0.000 0.799 154 E CB -0.019 29.525 29.700 -0.261 0.000 0.755 154 E HN 0.336 nan 8.360 nan 0.000 0.447 155 I N 1.140 121.655 120.570 -0.091 0.000 2.399 155 I HA -0.308 3.862 4.170 -0.000 0.000 0.254 155 I C 2.347 178.434 176.117 -0.050 0.000 1.146 155 I CA 0.942 62.203 61.300 -0.064 0.000 1.412 155 I CB -0.378 37.586 38.000 -0.060 0.000 1.076 155 I HN 0.124 nan 8.210 nan 0.000 0.432 156 A N 0.215 123.007 122.820 -0.046 0.000 1.887 156 A HA -0.149 4.171 4.320 -0.000 0.000 0.212 156 A C 2.223 179.789 177.584 -0.030 0.000 1.198 156 A CA 0.914 52.930 52.037 -0.035 0.000 0.628 156 A CB -0.441 18.542 19.000 -0.029 0.000 0.847 156 A HN 0.300 nan 8.150 nan 0.000 0.449 157 M N 0.052 119.635 119.600 -0.029 0.000 2.108 157 M HA -0.083 4.397 4.480 -0.000 0.000 0.261 157 M C 1.777 178.065 176.300 -0.021 0.000 1.066 157 M CA 1.814 57.102 55.300 -0.021 0.000 1.107 157 M CB -0.504 32.086 32.600 -0.017 0.000 1.356 157 M HN 0.090 nan 8.290 nan 0.000 0.406 158 V N 0.365 120.263 119.914 -0.026 0.000 2.667 158 V HA -0.125 3.995 4.120 -0.000 0.000 0.252 158 V C 2.397 178.479 176.094 -0.019 0.000 1.065 158 V CA 1.485 63.773 62.300 -0.021 0.000 1.083 158 V CB -1.388 30.420 31.823 -0.024 0.000 0.692 158 V HN 0.631 nan 8.190 nan 0.000 0.468 159 A N 0.824 123.628 122.820 -0.026 0.000 2.168 159 A HA 0.051 4.370 4.320 -0.000 0.000 0.215 159 A C -1.111 176.456 177.584 -0.028 0.000 1.152 159 A CA 0.205 52.225 52.037 -0.028 0.000 0.716 159 A CB -1.294 17.682 19.000 -0.039 0.000 0.794 159 A HN 0.540 nan 8.150 nan 0.000 0.465 160 P HA -0.004 nan 4.420 nan 0.000 0.261 160 P C 0.911 178.203 177.300 -0.012 0.000 1.203 160 P CA 0.881 63.969 63.100 -0.020 0.000 0.767 160 P CB 1.183 32.874 31.700 -0.015 0.000 0.785 161 S N 3.951 119.642 115.700 -0.015 0.000 2.472 161 S HA -0.335 4.135 4.470 -0.000 0.000 0.292 161 S C 1.665 176.272 174.600 0.013 0.000 1.175 161 S CA 2.564 60.762 58.200 -0.003 0.000 1.249 161 S CB -1.207 61.992 63.200 -0.002 0.000 1.208 161 S HN 0.655 nan 8.310 nan 0.000 0.442 162 D N 1.047 121.456 120.400 0.015 0.000 2.190 162 D HA -0.012 4.628 4.640 -0.000 0.000 0.200 162 D C 0.531 176.849 176.300 0.029 0.000 0.992 162 D CA 1.316 55.330 54.000 0.024 0.000 0.854 162 D CB -0.379 40.432 40.800 0.020 0.000 0.936 162 D HN 0.600 nan 8.370 nan 0.000 0.462 163 A N -0.133 122.701 122.820 0.023 0.000 2.328 163 A HA 0.480 4.800 4.320 -0.000 0.000 0.284 163 A C 0.324 177.929 177.584 0.034 0.000 1.160 163 A CA -0.492 51.561 52.037 0.026 0.000 0.818 163 A CB 0.513 19.524 19.000 0.018 0.000 1.087 163 A HN 0.208 nan 8.150 nan 0.000 0.504 164 T N 1.523 116.103 114.554 0.044 0.000 2.932 164 T HA 0.400 4.750 4.350 -0.000 0.000 0.312 164 T C 0.135 174.860 174.700 0.041 0.000 1.071 164 T CA -0.003 62.130 62.100 0.055 0.000 1.128 164 T CB 0.565 69.469 68.868 0.061 0.000 0.984 164 T HN 0.464 nan 8.240 nan 0.000 0.549 165 V N 3.085 123.029 119.914 0.050 0.000 2.735 165 V HA 0.490 4.610 4.120 -0.000 0.000 0.310 165 V C -0.746 175.378 176.094 0.050 0.000 1.061 165 V CA -0.957 61.366 62.300 0.038 0.000 0.913 165 V CB 1.984 33.828 31.823 0.034 0.000 1.005 165 V HN 0.658 nan 8.190 nan 0.000 0.428 166 L N 5.995 127.235 121.223 0.028 0.000 2.295 166 L HA 0.624 4.964 4.340 -0.000 0.000 0.281 166 L C -0.543 176.365 176.870 0.062 0.000 1.018 166 L CA 0.080 54.938 54.840 0.031 0.000 0.841 166 L CB 0.893 42.931 42.059 -0.035 0.000 1.218 166 L HN 0.531 nan 8.230 nan 0.000 0.424 167 I N 4.505 125.135 120.570 0.099 0.000 2.312 167 I HA 0.296 4.466 4.170 -0.000 0.000 0.290 167 I C -0.548 175.648 176.117 0.132 0.000 1.008 167 I CA -0.707 60.655 61.300 0.103 0.000 1.226 167 I CB 0.928 38.986 38.000 0.096 0.000 1.371 167 I HN 0.637 nan 8.210 nan 0.000 0.468 168 H N 5.162 124.247 119.070 0.026 0.000 2.492 168 H HA 0.867 5.423 4.556 -0.000 0.000 0.345 168 H C -0.461 174.889 175.328 0.036 0.000 1.136 168 H CA -0.379 55.684 56.048 0.025 0.000 1.202 168 H CB 1.946 31.712 29.762 0.005 0.000 1.524 168 H HN 0.799 nan 8.280 nan 0.000 0.506 169 G N 3.002 111.424 108.800 -0.630 0.000 2.384 169 G HA2 0.143 4.103 3.960 -0.000 0.000 0.300 169 G HA3 0.143 4.103 3.960 -0.000 0.000 0.300 169 G C -1.554 173.219 174.900 -0.212 0.000 1.582 169 G CA -1.049 43.752 45.100 -0.499 0.000 0.875 169 G HN 0.680 nan 8.290 nan 0.000 0.628 170 D N 0.787 121.101 120.400 -0.144 0.000 2.629 170 D HA 0.280 4.920 4.640 -0.000 0.000 0.228 170 D C 1.438 177.714 176.300 -0.041 0.000 1.127 170 D CA 1.145 55.118 54.000 -0.045 0.000 0.855 170 D CB 1.134 41.912 40.800 -0.036 0.000 1.180 170 D HN 0.667 nan 8.370 nan 0.000 0.484 171 S N 1.103 116.769 115.700 -0.056 0.000 2.572 171 S HA 0.411 4.881 4.470 -0.000 0.000 0.279 171 S C 1.151 175.707 174.600 -0.073 0.000 1.341 171 S CA 0.292 58.423 58.200 -0.115 0.000 1.043 171 S CB 1.229 64.252 63.200 -0.294 0.000 0.887 171 S HN 0.812 nan 8.310 nan 0.000 0.516 172 G N 0.971 109.740 108.800 -0.052 0.000 2.192 172 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.193 172 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.193 172 G C 0.163 175.056 174.900 -0.011 0.000 0.999 172 G CA 0.237 45.318 45.100 -0.031 0.000 0.659 172 G HN 1.406 nan 8.290 nan 0.000 0.503 173 T N -1.484 113.064 114.554 -0.011 0.000 2.858 173 T HA 0.609 4.959 4.350 -0.000 0.000 0.285 173 T C 1.212 175.916 174.700 0.006 0.000 1.052 173 T CA 0.699 62.798 62.100 -0.000 0.000 1.009 173 T CB 1.373 70.233 68.868 -0.013 0.000 1.241 173 T HN 1.284 nan 8.240 nan 0.000 0.542 174 G N 1.760 110.562 108.800 0.002 0.000 3.325 174 G HA2 0.126 4.086 3.960 -0.000 0.000 0.242 174 G HA3 0.126 4.086 3.960 -0.000 0.000 0.242 174 G C 1.036 175.932 174.900 -0.006 0.000 1.120 174 G CA -0.246 44.852 45.100 -0.002 0.000 1.778 174 G HN 0.746 nan 8.290 nan 0.000 0.610 175 K N 0.280 120.692 120.400 0.020 0.000 2.001 175 K HA -0.185 4.135 4.320 -0.000 0.000 0.214 175 K C 1.926 178.522 176.600 -0.008 0.000 1.050 175 K CA 1.462 57.771 56.287 0.037 0.000 0.934 175 K CB -0.103 32.463 32.500 0.111 0.000 0.718 175 K HN 0.501 nan 8.250 nan 0.000 0.443 176 E N 1.203 121.427 120.200 0.041 0.000 2.045 176 E HA -0.242 4.108 4.350 -0.000 0.000 0.212 176 E C 2.155 178.646 176.600 -0.182 0.000 1.039 176 E CA 1.885 58.245 56.400 -0.066 0.000 0.860 176 E CB -0.237 29.504 29.700 0.067 0.000 0.776 176 E HN 0.199 nan 8.360 nan 0.000 0.467 177 L N 0.052 121.219 121.223 -0.093 0.000 2.010 177 L HA -0.297 4.043 4.340 -0.000 0.000 0.219 177 L C 2.565 179.359 176.870 -0.126 0.000 1.077 177 L CA 1.370 56.150 54.840 -0.100 0.000 0.773 177 L CB -0.862 41.158 42.059 -0.066 0.000 0.892 177 L HN 0.151 nan 8.230 nan 0.000 0.436 178 V N 0.057 119.904 119.914 -0.112 0.000 2.453 178 V HA -0.354 3.766 4.120 -0.000 0.000 0.252 178 V C 2.718 178.714 176.094 -0.163 0.000 1.068 178 V CA 1.862 64.098 62.300 -0.108 0.000 1.070 178 V CB -1.097 30.681 31.823 -0.075 0.000 0.664 178 V HN 0.535 nan 8.190 nan 0.000 0.461 179 A N -0.047 122.589 122.820 -0.306 0.000 1.832 179 A HA -0.220 4.100 4.320 -0.000 0.000 0.214 179 A C 2.284 179.696 177.584 -0.288 0.000 1.200 179 A CA 1.941 53.690 52.037 -0.479 0.000 0.610 179 A CB -0.627 17.555 19.000 -1.364 0.000 0.842 179 A HN 0.408 nan 8.150 nan 0.000 0.444 180 R N -0.270 120.063 120.500 -0.279 0.000 2.162 180 R HA -0.232 4.108 4.340 -0.000 0.000 0.245 180 R C 2.298 178.578 176.300 -0.033 0.000 1.129 180 R CA 2.214 58.237 56.100 -0.129 0.000 0.940 180 R CB -0.917 29.313 30.300 -0.116 0.000 0.875 180 R HN 0.525 nan 8.270 nan 0.000 0.437 181 A N -0.112 122.669 122.820 -0.065 0.000 1.978 181 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 181 A C 2.234 179.798 177.584 -0.032 0.000 1.170 181 A CA 1.536 53.549 52.037 -0.041 0.000 0.636 181 A CB -0.575 18.393 19.000 -0.054 0.000 0.810 181 A HN 0.321 nan 8.150 nan 0.000 0.448 182 L N -1.652 119.544 121.223 -0.044 0.000 2.005 182 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 182 L C 2.711 179.575 176.870 -0.010 0.000 1.072 182 L CA 1.684 56.503 54.840 -0.035 0.000 0.744 182 L CB -0.706 41.327 42.059 -0.044 0.000 0.895 182 L HN 0.639 nan 8.230 nan 0.000 0.433 183 H N 0.398 119.417 119.070 -0.085 0.000 2.251 183 H HA -0.258 4.298 4.556 -0.000 0.000 0.294 183 H C 2.029 177.329 175.328 -0.047 0.000 1.078 183 H CA 2.010 58.020 56.048 -0.062 0.000 1.246 183 H CB 0.100 29.818 29.762 -0.074 0.000 1.358 183 H HN 0.350 nan 8.280 nan 0.000 0.488 184 A N 1.023 123.849 122.820 0.010 0.000 1.849 184 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 184 A C 3.042 180.557 177.584 -0.114 0.000 1.225 184 A CA 2.129 54.137 52.037 -0.048 0.000 0.653 184 A CB -1.668 17.346 19.000 0.023 0.000 0.844 184 A HN 0.701 nan 8.150 nan 0.000 0.453 185 C N -1.325 117.935 119.300 -0.068 0.000 2.396 185 C HA -0.101 4.359 4.460 -0.000 0.000 0.279 185 C C 3.203 178.147 174.990 -0.078 0.000 1.229 185 C CA 1.602 60.582 59.018 -0.064 0.000 1.801 185 C CB -1.319 26.393 27.740 -0.048 0.000 2.050 185 C HN 0.689 nan 8.230 nan 0.000 0.491 186 S N -1.815 113.824 115.700 -0.102 0.000 2.500 186 S HA 0.427 4.897 4.470 -0.000 0.000 0.174 186 S C 1.633 176.177 174.600 -0.092 0.000 0.857 186 S CA 0.850 59.000 58.200 -0.084 0.000 0.905 186 S CB -0.018 63.146 63.200 -0.060 0.000 0.819 186 S HN 0.617 nan 8.310 nan 0.000 0.557 187 A N 0.028 122.783 122.820 -0.109 0.000 2.150 187 A HA 0.400 4.720 4.320 -0.000 0.000 0.191 187 A C 0.714 178.240 177.584 -0.097 0.000 1.591 187 A CA -0.286 51.700 52.037 -0.084 0.000 1.142 187 A CB 0.178 19.148 19.000 -0.050 0.000 1.326 187 A HN 0.374 nan 8.150 nan 0.000 0.470 188 R N 1.490 121.910 120.500 -0.133 0.000 4.306 188 R HA 0.195 4.535 4.340 -0.000 0.000 0.266 188 R C 0.696 176.849 176.300 -0.244 0.000 1.624 188 R CA 0.527 56.559 56.100 -0.114 0.000 1.487 188 R CB -0.037 30.227 30.300 -0.061 0.000 1.441 188 R HN 0.512 nan 8.270 nan 0.000 0.750 189 S N -0.605 114.960 115.700 -0.226 0.000 2.478 189 S HA -0.092 4.378 4.470 -0.000 0.000 0.222 189 S C 1.037 175.583 174.600 -0.091 0.000 1.008 189 S CA 0.677 58.697 58.200 -0.299 0.000 0.928 189 S CB 0.045 63.136 63.200 -0.182 0.000 0.781 189 S HN 0.467 nan 8.310 nan 0.000 0.518 190 D N 1.268 121.645 120.400 -0.038 0.000 2.213 190 D HA 0.060 4.700 4.640 -0.000 0.000 0.205 190 D C 0.900 177.236 176.300 0.061 0.000 0.961 190 D CA 0.224 54.235 54.000 0.018 0.000 0.853 190 D CB -0.189 40.613 40.800 0.004 0.000 0.967 190 D HN 0.201 nan 8.370 nan 0.000 0.496 191 R N 1.093 121.635 120.500 0.070 0.000 2.738 191 R HA 0.353 4.693 4.340 -0.000 0.000 0.275 191 R C -2.115 174.285 176.300 0.167 0.000 1.121 191 R CA -1.182 54.978 56.100 0.101 0.000 1.207 191 R CB -0.466 29.886 30.300 0.086 0.000 1.141 191 R HN 0.136 nan 8.270 nan 0.000 0.571 192 P HA 0.086 nan 4.420 nan 0.000 0.276 192 P C -1.034 176.263 177.300 -0.006 0.000 1.252 192 P CA -0.362 62.760 63.100 0.037 0.000 0.802 192 P CB 0.549 32.257 31.700 0.015 0.000 1.035 193 L N 1.933 123.055 121.223 -0.168 0.000 2.506 193 L HA 0.246 4.586 4.340 -0.000 0.000 0.247 193 L C -0.684 176.114 176.870 -0.120 0.000 1.141 193 L CA -0.748 53.935 54.840 -0.262 0.000 0.973 193 L CB -0.101 41.579 42.059 -0.632 0.000 1.319 193 L HN -0.023 nan 8.230 nan 0.000 0.455 194 V N 2.074 121.952 119.914 -0.060 0.000 2.928 194 V HA 0.299 4.419 4.120 -0.000 0.000 0.307 194 V C 0.769 176.845 176.094 -0.029 0.000 1.105 194 V CA 0.695 62.965 62.300 -0.051 0.000 1.223 194 V CB 0.722 32.505 31.823 -0.066 0.000 0.930 194 V HN 0.848 nan 8.190 nan 0.000 0.499 195 T N 5.118 119.656 114.554 -0.027 0.000 3.579 195 T HA 0.529 4.879 4.350 -0.000 0.000 0.360 195 T C -1.335 173.326 174.700 -0.064 0.000 1.285 195 T CA -0.625 61.479 62.100 0.007 0.000 1.127 195 T CB 0.935 69.903 68.868 0.168 0.000 1.244 195 T HN 0.960 nan 8.240 nan 0.000 0.476 196 L N 3.116 124.253 121.223 -0.144 0.000 2.371 196 L HA 0.807 5.147 4.340 -0.000 0.000 0.262 196 L C -1.111 175.640 176.870 -0.199 0.000 1.006 196 L CA -0.908 53.844 54.840 -0.148 0.000 0.818 196 L CB 2.311 44.280 42.059 -0.149 0.000 1.354 196 L HN 0.636 nan 8.230 nan 0.000 0.415 197 N N 1.880 120.492 118.700 -0.147 0.000 2.425 197 N HA 0.259 4.999 4.740 -0.000 0.000 0.268 197 N C 0.153 175.595 175.510 -0.113 0.000 0.991 197 N CA -0.494 52.469 53.050 -0.146 0.000 0.931 197 N CB 1.800 40.232 38.487 -0.091 0.000 1.130 197 N HN 0.916 nan 8.380 nan 0.000 0.493 198 C N 2.736 121.969 119.300 -0.111 0.000 2.522 198 C HA 0.103 4.563 4.460 -0.000 0.000 0.271 198 C C 2.446 177.412 174.990 -0.040 0.000 1.425 198 C CA 0.228 59.202 59.018 -0.074 0.000 1.751 198 C CB -1.780 25.924 27.740 -0.061 0.000 1.775 198 C HN 0.867 nan 8.230 nan 0.000 0.557 199 A N 1.456 124.257 122.820 -0.033 0.000 1.771 199 A HA -0.253 4.067 4.320 -0.000 0.000 0.290 199 A C 1.546 179.131 177.584 0.003 0.000 3.024 199 A CA 3.009 55.042 52.037 -0.006 0.000 0.911 199 A CB -1.182 17.809 19.000 -0.013 0.000 0.802 199 A HN 1.357 nan 8.150 nan 0.000 0.514 200 A N -2.259 120.556 122.820 -0.007 0.000 3.339 200 A HA 0.570 4.890 4.320 -0.000 0.000 0.219 200 A C -0.355 177.223 177.584 -0.009 0.000 0.974 200 A CA -0.485 51.551 52.037 -0.001 0.000 1.050 200 A CB 0.050 19.052 19.000 0.003 0.000 1.271 200 A HN 0.443 nan 8.150 nan 0.000 0.565 201 L N 1.722 122.934 121.223 -0.018 0.000 2.275 201 L HA 0.338 4.678 4.340 -0.000 0.000 0.288 201 L C 0.276 177.135 176.870 -0.019 0.000 1.046 201 L CA -0.951 53.874 54.840 -0.025 0.000 0.805 201 L CB 0.877 42.910 42.059 -0.044 0.000 1.193 201 L HN 0.641 nan 8.230 nan 0.000 0.426 202 N N 0.915 119.608 118.700 -0.012 0.000 2.329 202 N HA -0.127 4.613 4.740 -0.000 0.000 0.237 202 N C 0.796 176.301 175.510 -0.008 0.000 1.258 202 N CA -0.159 52.888 53.050 -0.005 0.000 0.866 202 N CB 0.526 39.014 38.487 0.001 0.000 1.102 202 N HN 0.720 nan 8.380 nan 0.000 0.440 203 E N 0.516 120.716 120.200 -0.001 0.000 2.149 203 E HA -0.411 3.939 4.350 -0.000 0.000 0.215 203 E C 1.432 178.034 176.600 0.004 0.000 1.055 203 E CA 2.592 58.993 56.400 0.003 0.000 0.870 203 E CB -0.183 29.524 29.700 0.012 0.000 0.764 203 E HN 0.786 nan 8.360 nan 0.000 0.463 204 S N 0.484 116.190 115.700 0.010 0.000 2.344 204 S HA -0.190 4.280 4.470 -0.000 0.000 0.217 204 S C 2.162 176.763 174.600 0.001 0.000 1.033 204 S CA 1.489 59.700 58.200 0.018 0.000 1.017 204 S CB -0.947 62.268 63.200 0.026 0.000 0.941 204 S HN 0.378 nan 8.310 nan 0.000 0.430 205 L N 0.911 122.127 121.223 -0.011 0.000 2.081 205 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 205 L C 2.774 179.601 176.870 -0.073 0.000 1.080 205 L CA 1.413 56.232 54.840 -0.035 0.000 0.754 205 L CB -0.842 41.199 42.059 -0.030 0.000 0.893 205 L HN 0.335 nan 8.230 nan 0.000 0.433 206 L N -0.019 121.161 121.223 -0.072 0.000 2.141 206 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 206 L C 2.452 179.217 176.870 -0.174 0.000 1.094 206 L CA 1.596 56.365 54.840 -0.119 0.000 0.763 206 L CB -0.397 41.602 42.059 -0.099 0.000 0.908 206 L HN 0.247 nan 8.230 nan 0.000 0.437 207 E N -0.962 119.180 120.200 -0.097 0.000 2.038 207 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 207 E C 2.219 178.770 176.600 -0.082 0.000 1.000 207 E CA 1.561 57.928 56.400 -0.056 0.000 0.803 207 E CB -0.232 29.523 29.700 0.092 0.000 0.750 207 E HN 0.579 nan 8.360 nan 0.000 0.448 208 S N -0.096 115.563 115.700 -0.069 0.000 2.335 208 S HA -0.204 4.266 4.470 -0.000 0.000 0.217 208 S C 1.939 176.412 174.600 -0.212 0.000 1.032 208 S CA 1.510 59.626 58.200 -0.139 0.000 0.985 208 S CB -0.407 62.630 63.200 -0.272 0.000 0.896 208 S HN 0.321 nan 8.310 nan 0.000 0.445 209 E N 0.896 120.969 120.200 -0.211 0.000 2.136 209 E HA -0.170 4.180 4.350 -0.000 0.000 0.202 209 E C 1.924 178.411 176.600 -0.188 0.000 1.019 209 E CA 1.669 57.957 56.400 -0.186 0.000 0.819 209 E CB -0.488 29.121 29.700 -0.151 0.000 0.739 209 E HN 0.581 nan 8.360 nan 0.000 0.458 210 L N -1.166 119.883 121.223 -0.290 0.000 2.049 210 L HA 0.006 4.346 4.340 -0.000 0.000 0.203 210 L C 1.361 178.128 176.870 -0.172 0.000 1.074 210 L CA 0.669 55.281 54.840 -0.379 0.000 0.749 210 L CB -0.187 41.382 42.059 -0.817 0.000 0.907 210 L HN 0.115 nan 8.230 nan 0.000 0.439 211 F N -1.153 118.851 119.950 0.091 0.000 2.465 211 F HA 0.387 4.914 4.527 -0.000 0.000 0.200 211 F C 1.188 177.021 175.800 0.055 0.000 0.882 211 F CA -0.656 57.399 58.000 0.091 0.000 1.036 211 F CB -0.515 38.518 39.000 0.055 0.000 2.209 211 F HN -0.178 nan 8.300 nan 0.000 0.669 212 G N -1.579 107.411 108.800 0.316 0.000 2.489 212 G HA2 0.565 4.525 3.960 -0.000 0.000 0.327 212 G HA3 0.565 4.525 3.960 -0.000 0.000 0.327 212 G C -2.091 172.961 174.900 0.254 0.000 1.189 212 G CA -0.239 44.986 45.100 0.209 0.000 0.962 212 G HN 0.741 nan 8.290 nan 0.000 0.486 213 H N -0.538 118.579 119.070 0.078 0.000 3.159 213 H HA 0.315 4.871 4.556 0.000 0.000 0.313 213 H C -0.842 174.511 175.328 0.042 0.000 1.071 213 H CA -0.790 55.292 56.048 0.058 0.000 1.451 213 H CB 0.724 30.521 29.762 0.058 0.000 2.075 213 H HN 0.443 nan 8.280 nan 0.000 0.443 214 E N 3.547 123.726 120.200 -0.035 0.000 3.015 214 E HA 0.310 4.660 4.350 -0.000 0.000 0.334 214 E C 2.063 178.554 176.600 -0.182 0.000 0.651 214 E CA 1.123 57.483 56.400 -0.066 0.000 1.585 214 E CB -0.136 29.553 29.700 -0.017 0.000 2.009 214 E HN 0.684 nan 8.360 nan 0.000 0.525 215 K N 0.730 121.057 120.400 -0.121 0.000 2.242 215 K HA 0.193 4.513 4.320 -0.000 0.000 0.200 215 K C 2.129 178.648 176.600 -0.135 0.000 1.050 215 K CA 0.995 57.212 56.287 -0.117 0.000 0.981 215 K CB -1.384 31.080 32.500 -0.060 0.000 0.795 215 K HN 0.265 nan 8.250 nan 0.000 0.477 216 G N 1.476 110.210 108.800 -0.110 0.000 2.732 216 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.222 216 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.222 216 G C 2.023 176.887 174.900 -0.059 0.000 1.203 216 G CA 2.607 47.666 45.100 -0.068 0.000 0.780 216 G HN 0.967 nan 8.290 nan 0.000 0.621 217 A N -0.775 121.996 122.820 -0.082 0.000 1.929 217 A HA 0.173 4.493 4.320 -0.000 0.000 0.221 217 A C 2.200 179.784 177.584 0.001 0.000 1.211 217 A CA 3.301 55.343 52.037 0.007 0.000 0.657 217 A CB -1.104 17.952 19.000 0.094 0.000 0.827 217 A HN 2.313 nan 8.150 nan 0.000 0.462 218 F N -3.758 116.174 119.950 -0.029 0.000 2.893 218 F HA -0.034 4.493 4.527 -0.000 0.000 0.287 218 F C 1.453 177.254 175.800 0.002 0.000 0.766 218 F CA 1.811 59.801 58.000 -0.015 0.000 1.362 218 F CB -2.556 36.439 39.000 -0.009 0.000 1.518 218 F HN 1.365 nan 8.300 nan 0.000 0.417 219 T N -1.855 112.706 114.554 0.013 0.000 3.144 219 T HA 0.633 4.983 4.350 -0.000 0.000 0.249 219 T C 2.771 177.481 174.700 0.017 0.000 1.089 219 T CA 2.173 64.286 62.100 0.022 0.000 0.989 219 T CB -0.278 68.614 68.868 0.040 0.000 0.992 219 T HN 2.662 nan 8.240 nan 0.000 0.540 220 G N -0.095 108.710 108.800 0.008 0.000 4.259 220 G HA2 0.460 4.420 3.960 -0.000 0.000 0.131 220 G HA3 0.460 4.420 3.960 -0.000 0.000 0.131 220 G C -0.265 174.635 174.900 0.000 0.000 2.033 220 G CA 0.151 45.255 45.100 0.006 0.000 0.934 220 G HN 1.090 nan 8.290 nan 0.000 0.285 221 A N 0.257 123.078 122.820 0.002 0.000 2.343 221 A HA 0.730 5.050 4.320 -0.000 0.000 0.308 221 A C -0.660 176.916 177.584 -0.014 0.000 1.092 221 A CA 0.981 53.016 52.037 -0.003 0.000 0.751 221 A CB 1.009 20.012 19.000 0.005 0.000 1.203 221 A HN 1.570 nan 8.150 nan 0.000 0.452 222 D N 1.824 122.202 120.400 -0.037 0.000 2.462 222 D HA 0.601 5.241 4.640 -0.000 0.000 0.249 222 D C 0.066 176.331 176.300 -0.057 0.000 1.117 222 D CA 0.325 54.276 54.000 -0.082 0.000 0.900 222 D CB 0.834 41.556 40.800 -0.131 0.000 1.039 222 D HN 1.069 nan 8.370 nan 0.000 0.516 223 K N 0.788 121.174 120.400 -0.023 0.000 2.090 223 K HA 0.799 5.119 4.320 -0.000 0.000 0.249 223 K C 0.642 177.239 176.600 -0.004 0.000 0.995 223 K CA -0.599 55.686 56.287 -0.003 0.000 0.914 223 K CB 0.628 33.139 32.500 0.019 0.000 1.057 223 K HN 0.807 nan 8.250 nan 0.000 0.462 224 R N 1.133 121.643 120.500 0.016 0.000 2.441 224 R HA 0.276 4.616 4.340 -0.000 0.000 0.284 224 R C -0.721 175.660 176.300 0.136 0.000 1.070 224 R CA -0.504 55.623 56.100 0.046 0.000 1.047 224 R CB 0.754 31.078 30.300 0.040 0.000 1.016 224 R HN 0.514 nan 8.270 nan 0.000 0.477 225 R N 3.110 123.786 120.500 0.293 0.000 2.229 225 R HA 0.057 4.397 4.340 -0.000 0.000 0.332 225 R C 0.394 176.794 176.300 0.167 0.000 0.989 225 R CA -0.294 55.948 56.100 0.236 0.000 0.842 225 R CB 1.495 31.892 30.300 0.162 0.000 1.119 225 R HN 0.906 nan 8.270 nan 0.000 0.456 226 E N 1.935 122.195 120.200 0.101 0.000 2.000 226 E HA -0.090 4.260 4.350 -0.000 0.000 0.199 226 E C 0.483 177.140 176.600 0.095 0.000 1.011 226 E CA 1.506 57.960 56.400 0.091 0.000 0.836 226 E CB 0.129 29.870 29.700 0.069 0.000 0.778 226 E HN 0.816 nan 8.360 nan 0.000 0.462 227 G N -1.955 106.885 108.800 0.067 0.000 2.369 227 G HA2 0.019 3.979 3.960 -0.000 0.000 0.293 227 G HA3 0.019 3.979 3.960 -0.000 0.000 0.293 227 G C -0.293 174.639 174.900 0.053 0.000 1.301 227 G CA -0.268 44.875 45.100 0.073 0.000 0.913 227 G HN 0.017 nan 8.290 nan 0.000 0.540 228 R N -1.001 119.527 120.500 0.047 0.000 2.167 228 R HA 0.342 4.681 4.340 -0.000 0.000 0.201 228 R C 2.265 178.553 176.300 -0.021 0.000 1.024 228 R CA 0.538 56.618 56.100 -0.032 0.000 1.053 228 R CB -0.579 29.639 30.300 -0.136 0.000 0.987 228 R HN 0.461 nan 8.270 nan 0.000 0.493 229 F N 1.642 121.632 119.950 0.066 0.000 2.031 229 F HA -0.284 4.243 4.527 -0.000 0.000 0.295 229 F C 2.553 178.398 175.800 0.076 0.000 1.133 229 F CA 2.089 60.146 58.000 0.094 0.000 1.188 229 F CB -0.668 38.432 39.000 0.167 0.000 0.974 229 F HN -0.205 nan 8.300 nan 0.000 0.473 230 V N -0.873 119.222 119.914 0.301 0.000 2.231 230 V HA -0.398 3.722 4.120 -0.000 0.000 0.250 230 V C 2.038 178.202 176.094 0.116 0.000 1.058 230 V CA 2.333 64.740 62.300 0.178 0.000 1.022 230 V CB -1.505 30.403 31.823 0.140 0.000 0.640 230 V HN 0.510 nan 8.190 nan 0.000 0.445 231 E N 1.362 121.612 120.200 0.084 0.000 2.208 231 E HA -0.278 4.072 4.350 -0.000 0.000 0.202 231 E C 1.958 178.581 176.600 0.037 0.000 1.014 231 E CA 1.901 58.328 56.400 0.045 0.000 0.819 231 E CB -0.429 29.282 29.700 0.018 0.000 0.735 231 E HN 0.780 nan 8.360 nan 0.000 0.469 232 A N 0.524 123.366 122.820 0.037 0.000 2.178 232 A HA -0.015 4.304 4.320 -0.000 0.000 0.211 232 A C 0.557 178.183 177.584 0.070 0.000 1.157 232 A CA 0.178 52.235 52.037 0.034 0.000 0.780 232 A CB -0.002 18.994 19.000 -0.007 0.000 0.828 232 A HN 0.247 nan 8.150 nan 0.000 0.476 233 D N 0.492 120.947 120.400 0.093 0.000 2.752 233 D HA 0.169 4.809 4.640 -0.000 0.000 0.225 233 D C 1.397 177.742 176.300 0.075 0.000 1.104 233 D CA 1.877 55.936 54.000 0.098 0.000 0.832 233 D CB -0.053 40.801 40.800 0.090 0.000 1.161 233 D HN 0.662 nan 8.370 nan 0.000 0.505 234 G N 2.146 110.991 108.800 0.075 0.000 2.179 234 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.257 234 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.257 234 G C 0.628 175.563 174.900 0.060 0.000 1.010 234 G CA 0.630 45.765 45.100 0.058 0.000 0.736 234 G HN 0.865 nan 8.290 nan 0.000 0.513 235 G N -2.114 106.729 108.800 0.073 0.000 3.259 235 G HA2 0.761 4.721 3.960 -0.000 0.000 0.178 235 G HA3 0.761 4.721 3.960 -0.000 0.000 0.178 235 G C -0.727 174.232 174.900 0.097 0.000 1.129 235 G CA 0.458 45.609 45.100 0.085 0.000 0.816 235 G HN 0.741 nan 8.290 nan 0.000 0.634 236 T N 0.444 115.068 114.554 0.117 0.000 2.928 236 T HA 0.500 4.850 4.350 -0.000 0.000 0.296 236 T C -1.518 173.216 174.700 0.057 0.000 1.000 236 T CA -0.200 61.973 62.100 0.121 0.000 0.989 236 T CB 1.691 70.712 68.868 0.255 0.000 1.005 236 T HN 0.414 nan 8.240 nan 0.000 0.442 237 L N 4.214 125.452 121.223 0.025 0.000 2.317 237 L HA 0.832 5.172 4.340 -0.000 0.000 0.281 237 L C -1.560 175.354 176.870 0.074 0.000 1.024 237 L CA -0.913 53.898 54.840 -0.047 0.000 0.810 237 L CB 1.068 42.978 42.059 -0.249 0.000 1.240 237 L HN 0.617 nan 8.230 nan 0.000 0.427 238 F N 6.128 126.012 119.950 -0.111 0.000 2.496 238 F HA 0.619 5.145 4.527 -0.001 0.000 0.341 238 F C -1.767 173.987 175.800 -0.077 0.000 1.134 238 F CA -1.162 56.795 58.000 -0.071 0.000 0.968 238 F CB 1.060 40.024 39.000 -0.060 0.000 1.205 238 F HN 0.277 nan 8.300 nan 0.000 0.436 239 L N 6.061 127.020 121.223 -0.441 0.000 2.295 239 L HA 0.380 4.720 4.340 -0.000 0.000 0.281 239 L C -0.238 176.260 176.870 -0.620 0.000 1.018 239 L CA -0.402 54.156 54.840 -0.470 0.000 0.841 239 L CB 0.894 42.827 42.059 -0.211 0.000 1.218 239 L HN 0.472 nan 8.230 nan 0.000 0.424 240 D N 3.030 122.985 120.400 -0.741 0.000 2.283 240 D HA 0.148 4.788 4.640 -0.000 0.000 0.248 240 D C 0.161 176.345 176.300 -0.193 0.000 1.072 240 D CA -0.034 53.666 54.000 -0.500 0.000 0.929 240 D CB 0.945 41.489 40.800 -0.426 0.000 1.182 240 D HN 0.559 nan 8.370 nan 0.000 0.433 241 E N 1.276 121.440 120.200 -0.061 0.000 2.271 241 E HA -0.242 4.108 4.350 -0.000 0.000 0.223 241 E C 0.647 177.252 176.600 0.008 0.000 1.223 241 E CA 0.002 56.421 56.400 0.031 0.000 0.704 241 E CB -1.210 28.518 29.700 0.046 0.000 1.194 241 E HN 0.476 nan 8.360 nan 0.000 0.375 242 I N -0.600 119.974 120.570 0.006 0.000 3.564 242 I HA -0.002 4.168 4.170 -0.000 0.000 0.294 242 I C 1.951 178.134 176.117 0.111 0.000 1.289 242 I CA 0.840 62.167 61.300 0.045 0.000 1.325 242 I CB 0.216 38.253 38.000 0.061 0.000 1.039 242 I HN 0.329 nan 8.210 nan 0.000 0.474 243 G N -0.447 108.385 108.800 0.054 0.000 2.712 243 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.212 243 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.212 243 G C 0.613 175.577 174.900 0.107 0.000 1.142 243 G CA 0.297 45.425 45.100 0.048 0.000 0.789 243 G HN 0.354 nan 8.290 nan 0.000 0.535 244 D N 0.132 120.579 120.400 0.078 0.000 2.462 244 D HA 0.160 4.800 4.640 -0.000 0.000 0.221 244 D C 1.054 177.393 176.300 0.066 0.000 1.173 244 D CA -0.480 53.561 54.000 0.067 0.000 0.831 244 D CB 0.470 41.294 40.800 0.040 0.000 1.001 244 D HN 0.469 nan 8.370 nan 0.000 0.499 245 I N -0.429 120.191 120.570 0.083 0.000 2.634 245 I HA 0.238 4.407 4.170 -0.000 0.000 0.284 245 I C 0.745 176.873 176.117 0.019 0.000 1.124 245 I CA -0.740 60.585 61.300 0.041 0.000 1.417 245 I CB 0.959 38.983 38.000 0.040 0.000 1.396 245 I HN -0.092 nan 8.210 nan 0.000 0.571 246 S N 6.248 121.950 115.700 0.004 0.000 2.566 246 S HA 0.174 4.644 4.470 -0.000 0.000 0.280 246 S C -1.118 173.460 174.600 -0.036 0.000 1.343 246 S CA -0.625 57.570 58.200 -0.007 0.000 1.036 246 S CB 0.539 63.738 63.200 -0.001 0.000 0.866 246 S HN 0.712 nan 8.310 nan 0.000 0.526 247 P HA -0.232 nan 4.420 nan 0.000 0.214 247 P C 1.865 179.131 177.300 -0.057 0.000 1.169 247 P CA 1.285 64.341 63.100 -0.072 0.000 0.908 247 P CB -0.144 31.530 31.700 -0.044 0.000 0.791 248 L N -1.510 119.699 121.223 -0.023 0.000 2.051 248 L HA -0.197 4.143 4.340 -0.000 0.000 0.214 248 L C 2.550 179.430 176.870 0.016 0.000 1.076 248 L CA 2.098 56.936 54.840 -0.003 0.000 0.758 248 L CB -0.647 41.420 42.059 0.015 0.000 0.890 248 L HN -0.148 nan 8.230 nan 0.000 0.433 249 M N -0.288 119.322 119.600 0.017 0.000 2.213 249 M HA -0.205 4.275 4.480 -0.000 0.000 0.263 249 M C 2.657 178.974 176.300 0.028 0.000 1.062 249 M CA 2.142 57.472 55.300 0.050 0.000 1.105 249 M CB -1.678 30.936 32.600 0.024 0.000 1.385 249 M HN 0.621 nan 8.290 nan 0.000 0.417 250 Q N 0.761 120.523 119.800 -0.064 0.000 1.948 250 Q HA -0.118 4.222 4.340 -0.000 0.000 0.205 250 Q C 2.268 178.230 176.000 -0.063 0.000 0.992 250 Q CA 2.806 58.520 55.803 -0.149 0.000 0.849 250 Q CB -1.825 nan 28.738 nan 0.000 0.918 250 Q HN 0.476 nan 8.270 nan 0.000 0.421 251 V N 1.253 121.132 119.914 -0.057 0.000 2.236 251 V HA -0.447 3.673 4.120 -0.000 0.000 0.255 251 V C 2.527 178.615 176.094 -0.010 0.000 1.068 251 V CA 2.734 65.015 62.300 -0.032 0.000 1.044 251 V CB -1.087 30.720 31.823 -0.026 0.000 0.653 251 V HN 0.678 nan 8.190 nan 0.000 0.448 252 R N -0.355 120.164 120.500 0.031 0.000 2.082 252 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 252 R C 2.361 178.722 176.300 0.102 0.000 1.136 252 R CA 1.906 58.031 56.100 0.041 0.000 0.935 252 R CB -0.869 29.565 30.300 0.224 0.000 0.842 252 R HN 0.447 nan 8.270 nan 0.000 0.430 253 L N 1.482 122.847 121.223 0.236 0.000 2.051 253 L HA -0.204 4.136 4.340 -0.000 0.000 0.214 253 L C 2.140 179.072 176.870 0.104 0.000 1.076 253 L CA 1.570 56.554 54.840 0.241 0.000 0.758 253 L CB -0.636 41.545 42.059 0.204 0.000 0.890 253 L HN 0.185 nan 8.230 nan 0.000 0.433 254 L N -0.712 120.541 121.223 0.049 0.000 2.093 254 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 254 L C 2.615 179.474 176.870 -0.018 0.000 1.085 254 L CA 1.467 56.323 54.840 0.026 0.000 0.755 254 L CB -0.604 41.463 42.059 0.014 0.000 0.904 254 L HN 0.234 nan 8.230 nan 0.000 0.435 255 R N -0.216 120.248 120.500 -0.060 0.000 2.081 255 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 255 R C 2.184 178.386 176.300 -0.164 0.000 1.131 255 R CA 1.253 57.286 56.100 -0.112 0.000 0.960 255 R CB -0.757 29.451 30.300 -0.154 0.000 0.856 255 R HN 0.506 nan 8.270 nan 0.000 0.436 256 A N 0.792 123.476 122.820 -0.228 0.000 2.070 256 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 256 A C 2.004 179.462 177.584 -0.211 0.000 1.159 256 A CA 1.117 52.923 52.037 -0.386 0.000 0.656 256 A CB -0.257 18.282 19.000 -0.769 0.000 0.800 256 A HN 0.201 nan 8.150 nan 0.000 0.453 257 I N -2.164 118.368 120.570 -0.064 0.000 2.927 257 I HA -0.071 4.099 4.170 -0.000 0.000 0.268 257 I C 2.529 178.649 176.117 0.005 0.000 1.153 257 I CA 0.694 62.005 61.300 0.018 0.000 1.459 257 I CB 0.001 38.048 38.000 0.079 0.000 1.149 257 I HN 0.288 nan 8.210 nan 0.000 0.443 258 Q N 2.009 121.802 119.800 -0.011 0.000 1.965 258 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 258 Q C 0.491 176.478 176.000 -0.021 0.000 0.981 258 Q CA 1.320 57.119 55.803 -0.007 0.000 0.834 258 Q CB 0.156 28.888 28.738 -0.010 0.000 0.900 258 Q HN 0.523 nan 8.270 nan 0.000 0.426 259 E N -0.424 119.748 120.200 -0.046 0.000 2.207 259 E HA 0.252 4.602 4.350 -0.000 0.000 0.250 259 E C -0.268 176.288 176.600 -0.074 0.000 0.890 259 E CA -0.565 55.805 56.400 -0.050 0.000 0.749 259 E CB 0.860 30.530 29.700 -0.051 0.000 1.193 259 E HN 0.061 nan 8.360 nan 0.000 0.423 260 R N 1.809 122.275 120.500 -0.056 0.000 2.502 260 R HA -0.178 4.162 4.340 -0.000 0.000 0.250 260 R C -0.222 176.022 176.300 -0.093 0.000 1.220 260 R CA 1.021 57.083 56.100 -0.064 0.000 1.104 260 R CB -0.719 29.569 30.300 -0.020 0.000 0.828 260 R HN 0.670 nan 8.270 nan 0.000 0.506 261 E N -0.217 119.917 120.200 -0.110 0.000 2.376 261 E HA 0.282 4.632 4.350 -0.000 0.000 0.254 261 E C -0.420 176.060 176.600 -0.200 0.000 1.213 261 E CA -0.362 55.966 56.400 -0.120 0.000 0.945 261 E CB 1.050 30.689 29.700 -0.101 0.000 1.057 261 E HN -0.220 nan 8.360 nan 0.000 0.479 262 V N 2.076 121.879 119.914 -0.184 0.000 2.818 262 V HA 0.037 4.157 4.120 -0.000 0.000 0.256 262 V C -0.308 175.664 176.094 -0.204 0.000 0.925 262 V CA -0.615 61.523 62.300 -0.270 0.000 0.908 262 V CB 0.729 32.452 31.823 -0.167 0.000 1.052 262 V HN 0.599 nan 8.190 nan 0.000 0.498 263 Q N 1.923 121.580 119.800 -0.238 0.000 3.220 263 Q HA 0.539 4.879 4.340 -0.000 0.000 0.191 263 Q C 0.586 176.530 176.000 -0.093 0.000 1.184 263 Q CA 0.631 56.348 55.803 -0.144 0.000 1.277 263 Q CB 0.279 28.931 28.738 -0.142 0.000 1.373 263 Q HN 0.818 nan 8.270 nan 0.000 0.715 264 R N -1.273 119.217 120.500 -0.016 0.000 2.817 264 R HA 0.629 4.969 4.340 -0.000 0.000 0.268 264 R C -0.443 175.911 176.300 0.091 0.000 1.027 264 R CA -0.066 56.081 56.100 0.078 0.000 0.928 264 R CB -0.073 30.287 30.300 0.099 0.000 1.228 264 R HN 0.706 nan 8.270 nan 0.000 0.469 265 V N 0.968 120.978 119.914 0.159 0.000 2.106 265 V HA 0.488 4.608 4.120 -0.000 0.000 0.235 265 V C 1.128 177.277 176.094 0.092 0.000 1.454 265 V CA 1.701 64.087 62.300 0.143 0.000 1.458 265 V CB -0.951 30.993 31.823 0.202 0.000 1.506 265 V HN 1.819 nan 8.190 nan 0.000 0.498 266 G N 2.022 110.854 108.800 0.053 0.000 3.620 266 G HA2 0.135 4.095 3.960 -0.000 0.000 0.112 266 G HA3 0.135 4.095 3.960 -0.000 0.000 0.112 266 G C 0.547 175.455 174.900 0.014 0.000 2.274 266 G CA 0.604 45.721 45.100 0.029 0.000 1.052 266 G HN 1.529 nan 8.290 nan 0.000 0.298 267 S N 0.470 116.178 115.700 0.012 0.000 2.686 267 S HA 0.539 5.009 4.470 -0.000 0.000 0.270 267 S C 0.224 174.819 174.600 -0.008 0.000 1.194 267 S CA -0.058 58.143 58.200 0.002 0.000 0.990 267 S CB 1.428 64.631 63.200 0.005 0.000 1.029 267 S HN 0.235 nan 8.310 nan 0.000 0.560 268 N N 0.699 119.392 118.700 -0.012 0.000 2.484 268 N HA 0.116 4.856 4.740 -0.000 0.000 0.245 268 N C -0.277 175.221 175.510 -0.020 0.000 1.184 268 N CA 0.017 53.055 53.050 -0.021 0.000 0.884 268 N CB -0.105 38.371 38.487 -0.019 0.000 1.182 268 N HN 0.611 nan 8.380 nan 0.000 0.493 269 Q N 0.705 120.496 119.800 -0.014 0.000 2.641 269 Q HA 0.066 4.406 4.340 -0.000 0.000 0.225 269 Q C -0.691 175.297 176.000 -0.021 0.000 1.309 269 Q CA -0.006 55.792 55.803 -0.009 0.000 0.935 269 Q CB -0.233 28.509 28.738 0.007 0.000 1.557 269 Q HN 0.159 nan 8.270 nan 0.000 0.563 270 T N 5.069 119.606 114.554 -0.029 0.000 3.182 270 T HA 0.239 4.589 4.350 -0.000 0.000 0.274 270 T C 0.326 175.008 174.700 -0.031 0.000 0.997 270 T CA -0.080 61.993 62.100 -0.044 0.000 1.082 270 T CB -0.412 68.428 68.868 -0.046 0.000 1.005 270 T HN 0.443 nan 8.240 nan 0.000 0.688 271 I N 2.478 123.031 120.570 -0.027 0.000 2.337 271 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 271 I C 0.949 177.057 176.117 -0.015 0.000 1.046 271 I CA -0.476 60.820 61.300 -0.006 0.000 1.324 271 I CB 0.835 38.847 38.000 0.019 0.000 1.409 271 I HN 0.421 nan 8.210 nan 0.000 0.494 272 S N 6.723 122.420 115.700 -0.006 0.000 2.545 272 S HA 0.562 5.032 4.470 -0.000 0.000 0.275 272 S C -0.269 174.343 174.600 0.020 0.000 1.299 272 S CA -0.601 57.594 58.200 -0.007 0.000 1.048 272 S CB 0.738 63.935 63.200 -0.004 0.000 0.938 272 S HN 0.479 nan 8.310 nan 0.000 0.496 273 V N 1.490 121.419 119.914 0.025 0.000 3.158 273 V HA 0.729 4.849 4.120 -0.000 0.000 0.311 273 V C -1.089 175.048 176.094 0.072 0.000 1.181 273 V CA -0.932 61.412 62.300 0.072 0.000 1.054 273 V CB 2.122 34.030 31.823 0.142 0.000 1.085 273 V HN 0.833 nan 8.190 nan 0.000 0.446 274 D N 0.799 121.257 120.400 0.096 0.000 2.386 274 D HA 0.564 5.204 4.640 -0.000 0.000 0.247 274 D C -1.566 174.804 176.300 0.118 0.000 1.336 274 D CA 0.076 54.129 54.000 0.089 0.000 0.976 274 D CB 1.971 42.806 40.800 0.059 0.000 1.257 274 D HN 0.564 nan 8.370 nan 0.000 0.570 275 V N 3.085 123.095 119.914 0.159 0.000 2.823 275 V HA 0.520 4.640 4.120 -0.000 0.000 0.312 275 V C 0.249 176.429 176.094 0.144 0.000 1.072 275 V CA -1.023 61.380 62.300 0.171 0.000 0.937 275 V CB 2.333 34.324 31.823 0.280 0.000 1.013 275 V HN 0.415 nan 8.190 nan 0.000 0.430 276 R N 2.366 122.931 120.500 0.109 0.000 2.254 276 R HA 0.598 4.938 4.340 -0.000 0.000 0.318 276 R C -1.325 175.037 176.300 0.103 0.000 1.031 276 R CA -0.527 55.630 56.100 0.094 0.000 0.905 276 R CB 1.030 31.372 30.300 0.071 0.000 1.050 276 R HN 0.572 nan 8.270 nan 0.000 0.456 277 L N 5.924 127.215 121.223 0.114 0.000 2.331 277 L HA 0.585 4.925 4.340 -0.000 0.000 0.275 277 L C -1.023 175.916 176.870 0.114 0.000 1.022 277 L CA -0.532 54.380 54.840 0.120 0.000 0.812 277 L CB 1.589 43.743 42.059 0.160 0.000 1.257 277 L HN 0.642 nan 8.230 nan 0.000 0.435 278 I N 3.963 124.618 120.570 0.142 0.000 2.610 278 I HA 0.664 4.834 4.170 -0.000 0.000 0.289 278 I C -0.979 175.294 176.117 0.261 0.000 1.163 278 I CA -0.589 60.823 61.300 0.187 0.000 1.044 278 I CB 1.951 40.069 38.000 0.196 0.000 1.251 278 I HN 0.773 nan 8.210 nan 0.000 0.424 279 A N 4.683 127.623 122.820 0.201 0.000 2.449 279 A HA 0.980 5.300 4.320 -0.000 0.000 0.302 279 A C -1.236 176.436 177.584 0.146 0.000 1.048 279 A CA -0.481 51.636 52.037 0.132 0.000 0.708 279 A CB 2.017 21.062 19.000 0.076 0.000 1.274 279 A HN 0.817 nan 8.150 nan 0.000 0.410 280 A N 0.510 123.387 122.820 0.096 0.000 2.454 280 A HA 0.999 5.319 4.320 -0.000 0.000 0.302 280 A C -0.275 177.356 177.584 0.078 0.000 1.079 280 A CA -0.045 52.067 52.037 0.124 0.000 0.731 280 A CB 1.747 20.869 19.000 0.204 0.000 1.299 280 A HN 2.267 nan 8.150 nan 0.000 0.413 281 T N -0.673 113.945 114.554 0.107 0.000 2.830 281 T HA 0.450 4.800 4.350 -0.000 0.000 0.322 281 T C -0.913 173.884 174.700 0.161 0.000 1.501 281 T CA -0.277 61.887 62.100 0.107 0.000 1.036 281 T CB 1.067 69.947 68.868 0.019 0.000 1.379 281 T HN 1.241 nan 8.240 nan 0.000 0.493 282 H N 1.999 121.090 119.070 0.034 0.000 2.490 282 H HA 0.530 5.086 4.556 -0.000 0.000 0.285 282 H C 0.078 175.445 175.328 0.064 0.000 1.127 282 H CA -0.740 55.322 56.048 0.023 0.000 0.993 282 H CB -0.067 29.694 29.762 -0.003 0.000 1.653 282 H HN 0.305 nan 8.280 nan 0.000 0.557 283 R N 0.400 120.852 120.500 -0.081 0.000 2.854 283 R HA 0.156 4.496 4.340 -0.000 0.000 0.271 283 R C -0.721 175.568 176.300 -0.017 0.000 0.994 283 R CA -0.789 55.239 56.100 -0.120 0.000 0.945 283 R CB 1.776 31.943 30.300 -0.221 0.000 1.194 283 R HN 0.162 nan 8.270 nan 0.000 0.476 284 D N 3.194 123.565 120.400 -0.048 0.000 2.558 284 D HA -0.006 4.634 4.640 -0.000 0.000 0.221 284 D C 1.282 177.497 176.300 -0.141 0.000 1.143 284 D CA -0.235 53.711 54.000 -0.091 0.000 1.010 284 D CB 0.560 41.320 40.800 -0.067 0.000 1.068 284 D HN 0.246 nan 8.370 nan 0.000 0.511 285 L N 2.951 124.075 121.223 -0.166 0.000 2.149 285 L HA -0.317 4.023 4.340 -0.000 0.000 0.223 285 L C 2.390 179.108 176.870 -0.253 0.000 1.089 285 L CA 2.138 56.837 54.840 -0.235 0.000 0.800 285 L CB -1.327 40.688 42.059 -0.073 0.000 0.897 285 L HN 0.442 nan 8.230 nan 0.000 0.443 286 A N -1.423 121.267 122.820 -0.217 0.000 1.902 286 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 286 A C 2.283 179.711 177.584 -0.260 0.000 1.181 286 A CA 1.631 53.437 52.037 -0.385 0.000 0.623 286 A CB -0.446 18.383 19.000 -0.285 0.000 0.818 286 A HN 0.437 nan 8.150 nan 0.000 0.443 287 E N -0.092 120.010 120.200 -0.165 0.000 2.150 287 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 287 E C 1.835 178.377 176.600 -0.097 0.000 0.985 287 E CA 1.433 57.766 56.400 -0.111 0.000 0.814 287 E CB -0.176 29.480 29.700 -0.073 0.000 0.752 287 E HN 0.562 nan 8.360 nan 0.000 0.466 288 E N -0.733 119.403 120.200 -0.107 0.000 2.110 288 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 288 E C 1.887 178.479 176.600 -0.014 0.000 0.988 288 E CA 0.929 57.302 56.400 -0.046 0.000 0.804 288 E CB -0.100 29.564 29.700 -0.061 0.000 0.745 288 E HN 0.150 nan 8.360 nan 0.000 0.458 289 V N 0.352 120.208 119.914 -0.096 0.000 2.427 289 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 289 V C 2.109 178.156 176.094 -0.077 0.000 1.051 289 V CA 1.957 64.209 62.300 -0.080 0.000 1.048 289 V CB -0.442 31.197 31.823 -0.307 0.000 0.666 289 V HN 0.370 nan 8.190 nan 0.000 0.456 290 S N 0.609 116.246 115.700 -0.105 0.000 2.461 290 S HA 0.084 4.554 4.470 -0.000 0.000 0.228 290 S C 1.838 176.414 174.600 -0.041 0.000 1.005 290 S CA 0.820 58.976 58.200 -0.074 0.000 0.942 290 S CB -0.158 62.994 63.200 -0.080 0.000 0.776 290 S HN 0.542 nan 8.310 nan 0.000 0.514 291 A N 0.895 123.696 122.820 -0.031 0.000 2.251 291 A HA 0.585 4.905 4.320 -0.000 0.000 0.209 291 A C 1.757 179.339 177.584 -0.004 0.000 1.187 291 A CA 0.452 52.480 52.037 -0.016 0.000 0.823 291 A CB -0.950 18.042 19.000 -0.013 0.000 0.846 291 A HN 1.269 nan 8.150 nan 0.000 0.486 292 G N -0.528 108.272 108.800 0.000 0.000 2.159 292 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.256 292 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.256 292 G C 0.958 175.872 174.900 0.024 0.000 0.977 292 G CA 0.585 45.691 45.100 0.009 0.000 0.652 292 G HN 0.552 nan 8.290 nan 0.000 0.531 293 R N -1.367 119.160 120.500 0.046 0.000 2.280 293 R HA 0.440 4.780 4.340 -0.000 0.000 0.195 293 R C 0.442 176.817 176.300 0.125 0.000 0.935 293 R CA 0.429 56.569 56.100 0.066 0.000 1.033 293 R CB 0.420 30.758 30.300 0.064 0.000 0.964 293 R HN 0.400 nan 8.270 nan 0.000 0.489 294 F N 1.455 121.388 119.950 -0.028 0.000 2.578 294 F HA 0.366 4.894 4.527 0.000 0.000 0.311 294 F C -0.745 175.041 175.800 -0.023 0.000 1.094 294 F CA -1.345 56.646 58.000 -0.015 0.000 0.923 294 F CB 1.277 40.271 39.000 -0.010 0.000 1.230 294 F HN -0.239 nan 8.300 nan 0.000 0.450 295 R N 4.194 124.633 120.500 -0.101 0.000 2.540 295 R HA 0.429 4.769 4.340 -0.000 0.000 0.287 295 R C 0.100 176.501 176.300 0.168 0.000 0.980 295 R CA -0.670 55.447 56.100 0.028 0.000 0.966 295 R CB 1.571 31.832 30.300 -0.065 0.000 1.106 295 R HN 0.802 nan 8.270 nan 0.000 0.480 296 Q N 1.249 121.116 119.800 0.111 0.000 1.985 296 Q HA -0.283 4.057 4.340 -0.000 0.000 0.207 296 Q C 1.245 177.389 176.000 0.241 0.000 0.996 296 Q CA 2.597 58.466 55.803 0.109 0.000 0.851 296 Q CB -0.323 28.491 28.738 0.125 0.000 0.921 296 Q HN 0.888 nan 8.270 nan 0.000 0.418 297 D N 0.672 121.200 120.400 0.214 0.000 2.191 297 D HA -0.259 4.381 4.640 -0.000 0.000 0.190 297 D C 1.696 178.123 176.300 0.210 0.000 1.007 297 D CA 1.468 55.594 54.000 0.210 0.000 0.865 297 D CB -0.641 40.229 40.800 0.117 0.000 0.929 297 D HN 0.233 nan 8.370 nan 0.000 0.447 298 L N -0.993 120.333 121.223 0.171 0.000 2.027 298 L HA -0.039 4.301 4.340 -0.000 0.000 0.206 298 L C 2.371 179.430 176.870 0.315 0.000 1.074 298 L CA 1.407 56.359 54.840 0.187 0.000 0.745 298 L CB -1.343 40.747 42.059 0.051 0.000 0.898 298 L HN 0.172 nan 8.230 nan 0.000 0.433 299 Y N -0.501 119.982 120.300 0.305 0.000 2.102 299 Y HA -0.356 4.193 4.550 -0.001 0.000 0.280 299 Y C 2.192 178.094 175.900 0.004 0.000 1.178 299 Y CA 2.279 60.453 58.100 0.124 0.000 1.146 299 Y CB -0.683 37.700 38.460 -0.128 0.000 0.968 299 Y HN 0.323 nan 8.280 nan 0.000 0.504 300 Y N -0.457 119.987 120.300 0.241 0.000 2.583 300 Y HA -0.005 4.544 4.550 -0.001 0.000 0.293 300 Y C 1.752 177.664 175.900 0.021 0.000 1.157 300 Y CA 0.120 58.279 58.100 0.099 0.000 1.315 300 Y CB 0.166 38.723 38.460 0.163 0.000 1.021 300 Y HN 0.008 nan 8.280 nan 0.000 0.536 301 R N -0.619 119.984 120.500 0.172 0.000 2.397 301 R HA 0.206 4.545 4.340 -0.000 0.000 0.241 301 R C 1.026 177.367 176.300 0.069 0.000 0.914 301 R CA 0.269 56.437 56.100 0.112 0.000 1.071 301 R CB 0.443 30.809 30.300 0.109 0.000 1.116 301 R HN 0.422 nan 8.270 nan 0.000 0.524 302 L N -0.416 120.816 121.223 0.016 0.000 2.467 302 L HA 0.163 4.503 4.340 -0.000 0.000 0.213 302 L C 0.985 177.800 176.870 -0.091 0.000 1.053 302 L CA 0.208 55.042 54.840 -0.010 0.000 0.847 302 L CB 0.075 42.130 42.059 -0.006 0.000 1.075 302 L HN -0.046 nan 8.230 nan 0.000 0.479 303 N N 0.318 118.882 118.700 -0.228 0.000 3.250 303 N HA 0.070 4.810 4.740 -0.000 0.000 0.307 303 N C 0.683 176.134 175.510 -0.099 0.000 1.355 303 N CA 0.087 52.978 53.050 -0.265 0.000 1.192 303 N CB 0.352 38.456 38.487 -0.639 0.000 1.478 303 N HN -0.084 nan 8.380 nan 0.000 0.543 304 V N -0.572 119.323 119.914 -0.032 0.000 2.302 304 V HA 0.071 4.191 4.120 -0.000 0.000 0.243 304 V C 0.530 176.626 176.094 0.004 0.000 1.036 304 V CA 0.885 63.190 62.300 0.009 0.000 1.020 304 V CB 0.179 32.014 31.823 0.020 0.000 0.657 304 V HN 0.223 nan 8.190 nan 0.000 0.453 305 V N 0.811 120.724 119.914 -0.001 0.000 2.380 305 V HA 0.731 4.850 4.120 -0.000 0.000 0.286 305 V C -0.129 175.963 176.094 -0.003 0.000 1.015 305 V CA -0.538 61.763 62.300 0.001 0.000 0.834 305 V CB 1.070 32.895 31.823 0.003 0.000 1.009 305 V HN 0.348 nan 8.190 nan 0.000 0.428 306 A N 6.504 129.322 122.820 -0.002 0.000 2.310 306 A HA 0.874 5.194 4.320 -0.000 0.000 0.299 306 A C -0.570 177.024 177.584 0.017 0.000 1.147 306 A CA -0.328 51.712 52.037 0.004 0.000 0.818 306 A CB 0.580 19.579 19.000 -0.001 0.000 1.096 306 A HN 0.755 nan 8.150 nan 0.000 0.495 307 I N 1.537 122.127 120.570 0.034 0.000 2.468 307 I HA 0.204 4.374 4.170 -0.000 0.000 0.285 307 I C -0.183 175.970 176.117 0.059 0.000 1.039 307 I CA -0.254 61.057 61.300 0.020 0.000 1.074 307 I CB 1.775 39.769 38.000 -0.009 0.000 1.228 307 I HN 0.726 nan 8.210 nan 0.000 0.436 308 E N 7.836 128.080 120.200 0.073 0.000 2.105 308 E HA 0.190 4.540 4.350 -0.000 0.000 0.285 308 E C -0.649 175.963 176.600 0.022 0.000 1.055 308 E CA -0.611 55.847 56.400 0.096 0.000 0.843 308 E CB 0.842 30.627 29.700 0.141 0.000 1.067 308 E HN 0.412 nan 8.360 nan 0.000 0.398 309 M N 6.360 125.943 119.600 -0.029 0.000 2.239 309 M HA 0.190 4.670 4.480 -0.000 0.000 0.348 309 M C -2.089 174.189 176.300 -0.035 0.000 1.239 309 M CA -2.157 53.123 55.300 -0.034 0.000 1.114 309 M CB 0.472 33.047 32.600 -0.043 0.000 1.641 309 M HN 0.264 nan 8.290 nan 0.000 0.453 310 P HA 0.208 nan 4.420 nan 0.000 0.284 310 P C -0.743 176.541 177.300 -0.026 0.000 1.253 310 P CA -0.370 62.722 63.100 -0.013 0.000 0.800 310 P CB 0.757 32.460 31.700 0.004 0.000 0.961 311 S N 2.278 117.957 115.700 -0.034 0.000 2.593 311 S HA 0.089 4.559 4.470 -0.000 0.000 0.269 311 S C 1.687 176.268 174.600 -0.031 0.000 1.334 311 S CA -0.615 57.563 58.200 -0.035 0.000 1.015 311 S CB 0.206 63.379 63.200 -0.045 0.000 0.912 311 S HN 0.475 nan 8.310 nan 0.000 0.541 312 L N 2.358 123.571 121.223 -0.018 0.000 1.978 312 L HA -0.255 4.085 4.340 -0.000 0.000 0.218 312 L C 2.930 179.784 176.870 -0.027 0.000 1.075 312 L CA 1.976 56.812 54.840 -0.006 0.000 0.767 312 L CB -0.404 41.665 42.059 0.016 0.000 0.890 312 L HN 0.793 nan 8.230 nan 0.000 0.434 313 R N -0.152 120.312 120.500 -0.059 0.000 2.133 313 R HA -0.284 4.056 4.340 -0.000 0.000 0.247 313 R C 1.743 177.972 176.300 -0.119 0.000 1.151 313 R CA 2.122 58.134 56.100 -0.146 0.000 0.971 313 R CB -0.750 29.352 30.300 -0.330 0.000 0.866 313 R HN 0.477 nan 8.270 nan 0.000 0.447 314 Q N 0.833 120.580 119.800 -0.088 0.000 2.515 314 Q HA 0.010 4.350 4.340 -0.000 0.000 0.214 314 Q C 0.223 176.197 176.000 -0.042 0.000 0.971 314 Q CA 0.715 56.480 55.803 -0.064 0.000 0.952 314 Q CB 0.267 28.979 28.738 -0.044 0.000 0.999 314 Q HN 0.518 nan 8.270 nan 0.000 0.524 315 R N -1.344 119.132 120.500 -0.040 0.000 2.635 315 R HA 0.285 4.625 4.340 -0.000 0.000 0.393 315 R C 0.303 176.585 176.300 -0.030 0.000 1.070 315 R CA -0.519 55.565 56.100 -0.027 0.000 1.118 315 R CB 0.288 30.578 30.300 -0.016 0.000 1.341 315 R HN -0.076 nan 8.270 nan 0.000 0.628 316 R N 1.673 122.146 120.500 -0.044 0.000 2.162 316 R HA -0.234 4.106 4.340 -0.000 0.000 0.245 316 R C 0.845 177.116 176.300 -0.050 0.000 1.129 316 R CA 2.187 58.252 56.100 -0.059 0.000 0.940 316 R CB -0.481 29.765 30.300 -0.091 0.000 0.875 316 R HN 0.323 nan 8.270 nan 0.000 0.437 317 E N 0.627 120.804 120.200 -0.039 0.000 2.236 317 E HA -0.202 4.148 4.350 -0.000 0.000 0.205 317 E C 1.595 178.184 176.600 -0.018 0.000 1.028 317 E CA 1.793 58.178 56.400 -0.026 0.000 0.827 317 E CB -0.210 29.480 29.700 -0.017 0.000 0.735 317 E HN 0.406 nan 8.360 nan 0.000 0.470 318 D N -0.604 119.786 120.400 -0.017 0.000 2.144 318 D HA 0.001 4.641 4.640 -0.000 0.000 0.207 318 D C 2.071 178.368 176.300 -0.005 0.000 0.970 318 D CA 0.372 54.365 54.000 -0.011 0.000 0.853 318 D CB -0.281 40.512 40.800 -0.012 0.000 1.007 318 D HN 0.140 nan 8.370 nan 0.000 0.469 319 I N 1.883 122.450 120.570 -0.005 0.000 2.242 319 I HA -0.336 3.833 4.170 -0.000 0.000 0.242 319 I C -0.726 175.391 176.117 0.000 0.000 0.998 319 I CA 1.952 63.255 61.300 0.005 0.000 1.283 319 I CB -1.419 36.571 38.000 -0.016 0.000 0.985 319 I HN 0.138 nan 8.210 nan 0.000 0.415 320 P HA -0.166 nan 4.420 nan 0.000 0.217 320 P C 1.801 179.123 177.300 0.036 0.000 1.150 320 P CA 1.356 64.448 63.100 -0.012 0.000 0.832 320 P CB -0.074 31.626 31.700 0.000 0.000 0.787 321 L N -1.124 120.116 121.223 0.029 0.000 2.072 321 L HA -0.018 4.322 4.340 -0.000 0.000 0.205 321 L C 2.244 179.138 176.870 0.041 0.000 1.079 321 L CA 1.500 56.363 54.840 0.038 0.000 0.752 321 L CB -1.769 40.298 42.059 0.014 0.000 0.906 321 L HN -0.189 nan 8.230 nan 0.000 0.436 322 L N -0.002 121.234 121.223 0.021 0.000 2.012 322 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 322 L C 2.618 179.557 176.870 0.114 0.000 1.073 322 L CA 2.040 56.880 54.840 -0.000 0.000 0.748 322 L CB -1.466 40.628 42.059 0.058 0.000 0.891 322 L HN 0.358 nan 8.230 nan 0.000 0.431 323 A N -0.792 122.135 122.820 0.178 0.000 1.837 323 A HA -0.323 3.997 4.320 -0.000 0.000 0.216 323 A C 2.160 179.993 177.584 0.415 0.000 1.210 323 A CA 2.099 54.304 52.037 0.280 0.000 0.632 323 A CB -1.210 17.781 19.000 -0.015 0.000 0.843 323 A HN 0.458 nan 8.150 nan 0.000 0.448 324 D N -1.475 119.152 120.400 0.379 0.000 2.191 324 D HA -0.254 4.386 4.640 -0.000 0.000 0.190 324 D C 1.784 178.195 176.300 0.185 0.000 1.007 324 D CA 1.760 55.947 54.000 0.312 0.000 0.865 324 D CB -0.498 40.417 40.800 0.193 0.000 0.929 324 D HN 0.661 nan 8.370 nan 0.000 0.447 325 H N -0.584 118.486 119.070 0.000 0.000 2.319 325 H HA -0.170 4.387 4.556 0.000 0.000 0.297 325 H C 2.275 177.513 175.328 -0.150 0.000 1.097 325 H CA 1.597 57.548 56.048 -0.163 0.000 1.285 325 H CB -0.724 28.821 29.762 -0.361 0.000 1.368 325 H HN 0.264 nan 8.280 nan 0.000 0.495 326 F N -0.066 120.073 119.950 0.316 0.000 2.259 326 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 326 F C 2.647 178.614 175.800 0.278 0.000 1.088 326 F CA 0.297 58.477 58.000 0.301 0.000 1.358 326 F CB -0.178 39.099 39.000 0.462 0.000 1.040 326 F HN 0.147 nan 8.300 nan 0.000 0.505 327 L N 0.641 122.115 121.223 0.419 0.000 2.127 327 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 327 L C 2.281 179.201 176.870 0.083 0.000 1.089 327 L CA 1.703 56.688 54.840 0.242 0.000 0.757 327 L CB -0.586 41.541 42.059 0.113 0.000 0.899 327 L HN -0.006 nan 8.230 nan 0.000 0.434 328 R N -1.054 119.442 120.500 -0.007 0.000 2.062 328 R HA -0.087 4.253 4.340 -0.000 0.000 0.229 328 R C 2.423 178.646 176.300 -0.130 0.000 1.128 328 R CA 1.179 57.222 56.100 -0.094 0.000 0.960 328 R CB -0.375 29.836 30.300 -0.148 0.000 0.855 328 R HN 0.350 nan 8.270 nan 0.000 0.432 329 R N 0.369 120.732 120.500 -0.228 0.000 2.083 329 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 329 R C 1.981 178.102 176.300 -0.298 0.000 1.137 329 R CA 1.702 57.602 56.100 -0.333 0.000 0.951 329 R CB -0.211 29.780 30.300 -0.516 0.000 0.851 329 R HN 0.141 nan 8.270 nan 0.000 0.434 330 F N 0.191 120.165 119.950 0.039 0.000 2.206 330 F HA 0.028 4.555 4.527 -0.000 0.000 0.298 330 F C 2.564 178.363 175.800 -0.003 0.000 1.090 330 F CA 0.747 58.766 58.000 0.031 0.000 1.323 330 F CB -0.324 38.709 39.000 0.055 0.000 1.028 330 F HN 0.155 nan 8.300 nan 0.000 0.492 331 A N -0.098 122.802 122.820 0.133 0.000 2.019 331 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 331 A C 2.079 179.670 177.584 0.011 0.000 1.164 331 A CA 1.904 53.967 52.037 0.044 0.000 0.644 331 A CB -0.742 18.248 19.000 -0.016 0.000 0.805 331 A HN 0.478 nan 8.150 nan 0.000 0.449 332 E N -0.388 119.804 120.200 -0.013 0.000 2.051 332 E HA -0.159 4.191 4.350 -0.000 0.000 0.189 332 E C 2.192 178.786 176.600 -0.010 0.000 0.979 332 E CA 0.842 57.224 56.400 -0.031 0.000 0.803 332 E CB -0.179 29.483 29.700 -0.064 0.000 0.761 332 E HN 0.507 nan 8.360 nan 0.000 0.451 333 R N 0.049 120.550 120.500 0.001 0.000 2.170 333 R HA -0.120 4.219 4.340 -0.000 0.000 0.242 333 R C 0.626 176.956 176.300 0.050 0.000 1.145 333 R CA 1.869 57.986 56.100 0.028 0.000 0.984 333 R CB -0.046 30.294 30.300 0.067 0.000 0.869 333 R HN 0.208 nan 8.270 nan 0.000 0.455 334 N N -0.500 118.234 118.700 0.057 0.000 2.214 334 N HA 0.105 4.845 4.740 -0.000 0.000 0.214 334 N C -0.521 175.000 175.510 0.019 0.000 1.132 334 N CA -0.195 52.881 53.050 0.043 0.000 0.856 334 N CB 0.869 39.388 38.487 0.053 0.000 1.020 334 N HN -0.029 nan 8.380 nan 0.000 0.509 335 R N -0.247 120.258 120.500 0.009 0.000 3.932 335 R HA -0.206 4.134 4.340 -0.000 0.000 0.318 335 R C -0.674 175.621 176.300 -0.008 0.000 1.219 335 R CA 0.735 56.833 56.100 -0.003 0.000 0.889 335 R CB -1.993 28.305 30.300 -0.003 0.000 1.309 335 R HN 0.315 nan 8.270 nan 0.000 0.537 336 K N 0.501 120.898 120.400 -0.005 0.000 2.249 336 K HA 0.278 4.598 4.320 -0.000 0.000 0.280 336 K C -0.060 176.520 176.600 -0.033 0.000 1.033 336 K CA -0.310 55.968 56.287 -0.015 0.000 0.946 336 K CB 1.184 33.678 32.500 -0.010 0.000 1.005 336 K HN -0.140 nan 8.250 nan 0.000 0.469 337 V N 4.506 124.396 119.914 -0.041 0.000 2.313 337 V HA 0.115 4.235 4.120 -0.000 0.000 0.252 337 V C -0.022 176.017 176.094 -0.091 0.000 1.112 337 V CA -0.504 61.761 62.300 -0.059 0.000 0.984 337 V CB 0.099 31.894 31.823 -0.047 0.000 1.157 337 V HN 0.380 nan 8.190 nan 0.000 0.493 338 V N 4.058 123.900 119.914 -0.120 0.000 2.769 338 V HA 0.823 4.943 4.120 -0.000 0.000 0.312 338 V C -0.320 175.619 176.094 -0.259 0.000 1.061 338 V CA -0.903 61.286 62.300 -0.185 0.000 0.931 338 V CB 2.377 34.109 31.823 -0.152 0.000 1.010 338 V HN 0.748 nan 8.190 nan 0.000 0.433 339 K N 1.961 122.106 120.400 -0.424 0.000 2.610 339 K HA 0.607 4.927 4.320 -0.000 0.000 0.274 339 K C -0.545 175.628 176.600 -0.712 0.000 1.049 339 K CA 0.728 56.740 56.287 -0.460 0.000 0.945 339 K CB 1.145 33.443 32.500 -0.337 0.000 1.313 339 K HN 1.575 nan 8.250 nan 0.000 0.463 340 G N 2.226 110.745 108.800 -0.468 0.000 2.619 340 G HA2 0.006 3.966 3.960 -0.000 0.000 0.686 340 G HA3 0.006 3.966 3.960 -0.000 0.000 0.686 340 G C -1.520 173.221 174.900 -0.264 0.000 1.256 340 G CA -0.925 44.032 45.100 -0.238 0.000 0.826 340 G HN 0.268 nan 8.290 nan 0.000 0.619 341 F N 0.720 120.780 119.950 0.183 0.000 2.540 341 F HA 0.617 5.144 4.527 0.001 0.000 0.317 341 F C 1.253 177.169 175.800 0.193 0.000 1.104 341 F CA 0.011 58.114 58.000 0.171 0.000 0.913 341 F CB 2.423 41.492 39.000 0.114 0.000 1.170 341 F HN 0.767 nan 8.300 nan 0.000 0.450 342 T N 0.902 115.658 114.554 0.336 0.000 2.928 342 T HA 0.062 4.412 4.350 -0.000 0.000 0.305 342 T C -1.633 173.169 174.700 0.171 0.000 1.035 342 T CA -1.263 60.947 62.100 0.183 0.000 1.145 342 T CB 0.891 69.828 68.868 0.115 0.000 0.963 342 T HN 0.390 nan 8.240 nan 0.000 0.545 343 P HA -0.231 nan 4.420 nan 0.000 0.217 343 P C 1.399 178.748 177.300 0.082 0.000 1.148 343 P CA 1.262 64.419 63.100 0.094 0.000 0.834 343 P CB 0.234 31.971 31.700 0.061 0.000 0.783 344 Q N 0.926 120.771 119.800 0.074 0.000 1.941 344 Q HA -0.085 4.255 4.340 -0.000 0.000 0.201 344 Q C 2.328 178.370 176.000 0.070 0.000 0.982 344 Q CA 2.205 58.045 55.803 0.062 0.000 0.839 344 Q CB -1.523 27.244 28.738 0.048 0.000 0.904 344 Q HN 0.095 nan 8.270 nan 0.000 0.427 345 A N 0.626 123.500 122.820 0.090 0.000 1.896 345 A HA -0.310 4.010 4.320 -0.000 0.000 0.220 345 A C 2.207 179.810 177.584 0.033 0.000 1.206 345 A CA 2.747 54.838 52.037 0.090 0.000 0.647 345 A CB -1.042 18.069 19.000 0.185 0.000 0.828 345 A HN 0.623 nan 8.150 nan 0.000 0.455 346 M N 0.070 119.692 119.600 0.037 0.000 2.149 346 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 346 M C 1.660 177.947 176.300 -0.023 0.000 1.064 346 M CA 2.407 57.668 55.300 -0.066 0.000 1.102 346 M CB -0.585 32.025 32.600 0.017 0.000 1.369 346 M HN 0.567 nan 8.290 nan 0.000 0.408 347 D N -0.563 119.865 120.400 0.046 0.000 2.117 347 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 347 D C 1.760 178.159 176.300 0.166 0.000 0.987 347 D CA 1.500 55.563 54.000 0.106 0.000 0.829 347 D CB 0.127 41.000 40.800 0.122 0.000 0.961 347 D HN 0.351 nan 8.370 nan 0.000 0.460 348 L N 0.878 122.167 121.223 0.111 0.000 1.976 348 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 348 L C 2.766 179.704 176.870 0.113 0.000 1.071 348 L CA 0.998 55.909 54.840 0.117 0.000 0.746 348 L CB -1.115 40.963 42.059 0.032 0.000 0.890 348 L HN 0.068 nan 8.230 nan 0.000 0.432 349 L N -0.765 120.475 121.223 0.028 0.000 2.064 349 L HA -0.321 4.019 4.340 -0.000 0.000 0.216 349 L C 2.519 179.412 176.870 0.038 0.000 1.077 349 L CA 1.358 56.207 54.840 0.014 0.000 0.766 349 L CB -0.598 41.378 42.059 -0.137 0.000 0.890 349 L HN 0.291 nan 8.230 nan 0.000 0.435 350 I N -1.025 119.532 120.570 -0.023 0.000 2.454 350 I HA -0.269 3.901 4.170 -0.000 0.000 0.254 350 I C 1.380 177.363 176.117 -0.224 0.000 1.156 350 I CA 1.472 62.685 61.300 -0.144 0.000 1.433 350 I CB -0.396 37.463 38.000 -0.234 0.000 1.082 350 I HN 0.397 nan 8.210 nan 0.000 0.432 351 H N -2.604 116.579 119.070 0.189 0.000 2.542 351 H HA 0.144 4.700 4.556 -0.001 0.000 0.283 351 H C -0.013 175.681 175.328 0.609 0.000 1.059 351 H CA -0.133 56.096 56.048 0.301 0.000 1.162 351 H CB 0.361 30.266 29.762 0.238 0.000 1.539 351 H HN 0.271 nan 8.280 nan 0.000 0.543 352 Y N -0.296 120.241 120.300 0.395 0.000 3.321 352 Y HA 0.234 4.784 4.550 0.000 0.000 0.273 352 Y C -0.511 175.529 175.900 0.234 0.000 2.038 352 Y CA -0.896 57.350 58.100 0.244 0.000 0.871 352 Y CB 0.995 39.321 38.460 -0.223 0.000 1.458 352 Y HN -0.084 nan 8.280 nan 0.000 0.600 353 D N 1.070 120.880 120.400 -0.984 0.000 2.746 353 D HA -0.201 4.439 4.640 -0.000 0.000 0.241 353 D C -0.475 175.690 176.300 -0.226 0.000 1.140 353 D CA 0.900 54.605 54.000 -0.492 0.000 0.707 353 D CB -0.898 39.899 40.800 -0.005 0.000 1.034 353 D HN 0.493 nan 8.370 nan 0.000 0.423 354 W N 0.177 120.990 121.300 -0.811 0.000 2.887 354 W HA 0.103 4.764 4.660 0.002 0.000 0.299 354 W C -0.469 175.881 176.519 -0.281 0.000 1.038 354 W CA 0.641 57.747 57.345 -0.398 0.000 1.687 354 W CB -2.520 26.753 29.460 -0.313 0.000 1.253 354 W HN 0.060 nan 8.180 nan 0.000 0.497 355 P HA -0.189 nan 4.420 nan 0.000 0.222 355 P C 0.895 178.188 177.300 -0.012 0.000 1.155 355 P CA 2.921 66.031 63.100 0.017 0.000 0.890 355 P CB -0.326 31.366 31.700 -0.013 0.000 0.790 356 G N -1.177 107.597 108.800 -0.044 0.000 5.001 356 G HA2 0.128 4.088 3.960 -0.000 0.000 0.304 356 G HA3 0.128 4.088 3.960 -0.000 0.000 0.304 356 G C 0.646 175.524 174.900 -0.037 0.000 1.400 356 G CA -0.408 44.671 45.100 -0.034 0.000 1.029 356 G HN 0.096 nan 8.290 nan 0.000 0.584 357 N N 0.667 119.350 118.700 -0.027 0.000 1.089 357 N HA -0.316 4.424 4.740 -0.000 0.000 0.140 357 N C 1.498 177.005 175.510 -0.005 0.000 0.342 357 N CA 1.886 54.928 53.050 -0.014 0.000 0.862 357 N CB -0.240 38.243 38.487 -0.007 0.000 1.330 357 N HN 0.214 nan 8.380 nan 0.000 1.241 358 I N 1.692 122.271 120.570 0.016 0.000 2.163 358 I HA -0.120 4.050 4.170 -0.000 0.000 0.240 358 I C 2.477 178.572 176.117 -0.036 0.000 1.081 358 I CA 0.996 62.322 61.300 0.042 0.000 1.353 358 I CB -1.081 36.986 38.000 0.113 0.000 1.054 358 I HN 0.207 nan 8.210 nan 0.000 0.407 359 R N 0.633 121.114 120.500 -0.030 0.000 2.178 359 R HA -0.264 4.076 4.340 -0.000 0.000 0.257 359 R C 2.135 178.384 176.300 -0.085 0.000 1.163 359 R CA 1.926 57.992 56.100 -0.056 0.000 0.981 359 R CB -0.938 29.340 30.300 -0.037 0.000 0.878 359 R HN 0.688 nan 8.270 nan 0.000 0.454 360 E N 0.011 120.170 120.200 -0.067 0.000 2.086 360 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 360 E C 1.974 178.530 176.600 -0.072 0.000 0.975 360 E CA 0.294 56.660 56.400 -0.056 0.000 0.813 360 E CB -0.196 29.485 29.700 -0.032 0.000 0.768 360 E HN 0.112 nan 8.360 nan 0.000 0.457 361 L N 2.130 123.309 121.223 -0.073 0.000 1.989 361 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 361 L C 2.343 179.078 176.870 -0.225 0.000 1.071 361 L CA 2.487 57.283 54.840 -0.072 0.000 0.749 361 L CB -0.798 41.257 42.059 -0.006 0.000 0.890 361 L HN 0.323 nan 8.230 nan 0.000 0.431 362 E N -0.735 119.198 120.200 -0.445 0.000 2.130 362 E HA -0.306 4.044 4.350 -0.000 0.000 0.196 362 E C 1.985 178.345 176.600 -0.399 0.000 0.998 362 E CA 1.518 57.457 56.400 -0.768 0.000 0.806 362 E CB -0.311 28.948 29.700 -0.736 0.000 0.738 362 E HN 0.750 nan 8.360 nan 0.000 0.459 363 N N 0.647 119.192 118.700 -0.257 0.000 2.173 363 N HA -0.110 4.630 4.740 -0.000 0.000 0.184 363 N C 1.800 177.189 175.510 -0.202 0.000 1.025 363 N CA 1.451 54.368 53.050 -0.221 0.000 0.852 363 N CB -0.368 38.038 38.487 -0.136 0.000 0.998 363 N HN 0.139 nan 8.380 nan 0.000 0.427 364 A N 0.872 123.615 122.820 -0.129 0.000 2.139 364 A HA -0.034 4.286 4.320 -0.000 0.000 0.221 364 A C 2.291 179.835 177.584 -0.067 0.000 1.159 364 A CA 0.856 52.847 52.037 -0.076 0.000 0.662 364 A CB -0.469 18.520 19.000 -0.018 0.000 0.796 364 A HN 0.453 nan 8.150 nan 0.000 0.463 365 I N -1.806 118.705 120.570 -0.099 0.000 2.729 365 I HA -0.087 4.083 4.170 -0.000 0.000 0.256 365 I C 2.405 178.426 176.117 -0.161 0.000 1.115 365 I CA 0.960 62.264 61.300 0.007 0.000 1.446 365 I CB -0.244 37.881 38.000 0.207 0.000 1.176 365 I HN 0.527 nan 8.210 nan 0.000 0.446 366 E N 1.864 121.718 120.200 -0.576 0.000 2.086 366 E HA -0.337 4.013 4.350 -0.000 0.000 0.200 366 E C 2.324 178.690 176.600 -0.389 0.000 1.012 366 E CA 1.690 57.511 56.400 -0.965 0.000 0.812 366 E CB -0.135 28.532 29.700 -1.723 0.000 0.743 366 E HN 0.233 nan 8.360 nan 0.000 0.453 367 R N -0.091 120.241 120.500 -0.280 0.000 2.103 367 R HA -0.217 4.123 4.340 -0.000 0.000 0.242 367 R C 2.308 178.552 176.300 -0.094 0.000 1.142 367 R CA 1.617 57.625 56.100 -0.154 0.000 0.960 367 R CB -0.384 29.848 30.300 -0.115 0.000 0.858 367 R HN 0.315 nan 8.270 nan 0.000 0.439 368 A N -0.104 122.678 122.820 -0.063 0.000 1.898 368 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 368 A C 2.272 179.849 177.584 -0.012 0.000 1.181 368 A CA 1.401 53.434 52.037 -0.005 0.000 0.620 368 A CB -0.511 18.528 19.000 0.065 0.000 0.819 368 A HN 0.223 nan 8.150 nan 0.000 0.442 369 V N -0.247 119.654 119.914 -0.022 0.000 2.287 369 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 369 V C 2.559 178.643 176.094 -0.017 0.000 1.053 369 V CA 2.098 64.392 62.300 -0.009 0.000 1.027 369 V CB -0.702 31.147 31.823 0.043 0.000 0.646 369 V HN 0.367 nan 8.190 nan 0.000 0.447 370 V N -0.283 119.607 119.914 -0.040 0.000 2.688 370 V HA -0.223 3.897 4.120 -0.000 0.000 0.256 370 V C 2.057 178.137 176.094 -0.024 0.000 1.084 370 V CA 1.683 63.964 62.300 -0.031 0.000 1.103 370 V CB -0.459 31.335 31.823 -0.049 0.000 0.688 370 V HN 0.462 nan 8.190 nan 0.000 0.480 371 L N -1.179 120.030 121.223 -0.024 0.000 2.416 371 L HA 0.179 4.519 4.340 -0.000 0.000 0.216 371 L C 0.955 177.821 176.870 -0.008 0.000 1.098 371 L CA -0.168 54.662 54.840 -0.016 0.000 0.840 371 L CB -0.090 41.959 42.059 -0.016 0.000 0.981 371 L HN 0.283 nan 8.230 nan 0.000 0.462 372 L N 2.318 123.536 121.223 -0.007 0.000 2.700 372 L HA -0.069 4.271 4.340 -0.000 0.000 0.276 372 L C 0.607 177.475 176.870 -0.002 0.000 1.200 372 L CA 0.831 55.669 54.840 -0.004 0.000 0.951 372 L CB 0.143 42.193 42.059 -0.015 0.000 1.226 372 L HN 0.133 nan 8.230 nan 0.000 0.489 373 T N 2.729 117.286 114.554 0.005 0.000 3.262 373 T HA 0.760 5.110 4.350 -0.000 0.000 0.374 373 T C 0.499 175.206 174.700 0.012 0.000 1.504 373 T CA -0.068 62.036 62.100 0.005 0.000 1.158 373 T CB 0.443 69.315 68.868 0.006 0.000 1.157 373 T HN 1.076 nan 8.240 nan 0.000 0.644 374 G N 2.471 111.277 108.800 0.009 0.000 2.181 374 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.098 374 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.098 374 G C -0.158 174.750 174.900 0.014 0.000 1.237 374 G CA -0.084 45.029 45.100 0.021 0.000 1.238 374 G HN 0.382 nan 8.290 nan 0.000 0.468 375 E N -1.172 119.061 120.200 0.055 0.000 2.406 375 E HA 0.245 4.595 4.350 -0.000 0.000 0.204 375 E C -0.488 176.051 176.600 -0.102 0.000 0.820 375 E CA 0.167 56.565 56.400 -0.004 0.000 1.136 375 E CB 1.138 30.864 29.700 0.045 0.000 1.129 375 E HN 0.305 nan 8.360 nan 0.000 0.530 376 Y N 1.538 121.808 120.300 -0.050 0.000 2.334 376 Y HA 0.234 4.784 4.550 -0.000 0.000 0.336 376 Y C 0.120 175.988 175.900 -0.052 0.000 0.960 376 Y CA -1.672 56.386 58.100 -0.069 0.000 1.164 376 Y CB 0.746 39.190 38.460 -0.027 0.000 1.155 376 Y HN 0.041 nan 8.280 nan 0.000 0.478 377 I N 2.679 123.245 120.570 -0.007 0.000 2.710 377 I HA 0.358 4.528 4.170 -0.000 0.000 0.286 377 I C 0.154 176.386 176.117 0.192 0.000 1.181 377 I CA 0.161 61.498 61.300 0.063 0.000 1.430 377 I CB -0.026 37.993 38.000 0.032 0.000 1.367 377 I HN 0.507 nan 8.210 nan 0.000 0.577 378 S N 3.844 119.634 115.700 0.151 0.000 2.810 378 S HA 0.440 4.910 4.470 -0.000 0.000 0.315 378 S C 0.770 175.433 174.600 0.105 0.000 1.138 378 S CA -0.173 58.109 58.200 0.138 0.000 0.889 378 S CB 0.849 64.102 63.200 0.089 0.000 1.236 378 S HN 0.792 nan 8.310 nan 0.000 0.548 379 E N 0.859 121.102 120.200 0.072 0.000 2.171 379 E HA -0.194 4.156 4.350 -0.000 0.000 0.197 379 E C 1.107 177.718 176.600 0.019 0.000 0.997 379 E CA 1.063 57.486 56.400 0.037 0.000 0.810 379 E CB -0.061 29.651 29.700 0.020 0.000 0.738 379 E HN 0.572 nan 8.360 nan 0.000 0.467 380 R N 0.353 120.866 120.500 0.022 0.000 2.752 380 R HA 0.104 4.444 4.340 -0.000 0.000 0.279 380 R C -0.005 176.302 176.300 0.012 0.000 1.212 380 R CA 0.143 56.248 56.100 0.008 0.000 1.169 380 R CB 0.233 30.536 30.300 0.005 0.000 1.286 380 R HN 0.136 nan 8.270 nan 0.000 0.564 381 E N 0.539 120.753 120.200 0.023 0.000 2.665 381 E HA 0.240 4.590 4.350 -0.000 0.000 0.225 381 E C 0.193 176.806 176.600 0.021 0.000 0.922 381 E CA -0.117 56.297 56.400 0.024 0.000 1.242 381 E CB 0.673 30.400 29.700 0.044 0.000 1.197 381 E HN 0.226 nan 8.360 nan 0.000 0.581 382 L N 3.415 124.647 121.223 0.015 0.000 2.399 382 L HA 0.357 4.697 4.340 -0.000 0.000 0.265 382 L C -2.035 174.809 176.870 -0.043 0.000 1.089 382 L CA -1.973 52.864 54.840 -0.006 0.000 0.802 382 L CB 0.458 42.511 42.059 -0.011 0.000 1.180 382 L HN -0.215 nan 8.230 nan 0.000 0.454 383 P HA 0.026 nan 4.420 nan 0.000 0.265 383 P C 0.737 177.969 177.300 -0.114 0.000 1.193 383 P CA -0.046 63.006 63.100 -0.080 0.000 0.765 383 P CB 0.680 32.332 31.700 -0.080 0.000 0.823 384 L N 2.456 123.620 121.223 -0.098 0.000 2.081 384 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 384 L C 1.662 178.437 176.870 -0.158 0.000 1.080 384 L CA 1.301 56.076 54.840 -0.108 0.000 0.754 384 L CB -1.375 40.635 42.059 -0.082 0.000 0.893 384 L HN 0.362 nan 8.230 nan 0.000 0.433 385 A N 1.115 123.843 122.820 -0.152 0.000 3.149 385 A HA -0.028 4.292 4.320 -0.000 0.000 0.291 385 A C 1.349 178.772 177.584 -0.268 0.000 1.907 385 A CA 0.567 52.505 52.037 -0.164 0.000 1.255 385 A CB -1.581 17.353 19.000 -0.110 0.000 0.873 385 A HN 0.556 nan 8.150 nan 0.000 0.578 386 I N -2.110 118.322 120.570 -0.230 0.000 3.321 386 I HA -0.481 3.689 4.170 -0.000 0.000 0.235 386 I C 1.901 177.728 176.117 -0.484 0.000 0.517 386 I CA 0.870 62.017 61.300 -0.255 0.000 1.380 386 I CB -2.139 35.766 38.000 -0.158 0.000 1.078 386 I HN 0.627 nan 8.210 nan 0.000 0.355 387 A N 0.801 123.181 122.820 -0.733 0.000 1.865 387 A HA 0.172 4.492 4.320 -0.000 0.000 0.217 387 A C 1.778 179.032 177.584 -0.549 0.000 1.191 387 A CA 2.025 53.355 52.037 -1.178 0.000 0.623 387 A CB -0.272 18.160 19.000 -0.946 0.000 0.826 387 A HN 0.892 nan 8.150 nan 0.000 0.444 388 A N -1.345 121.274 122.820 -0.335 0.000 3.219 388 A HA 0.645 4.965 4.320 -0.000 0.000 0.314 388 A C 0.314 177.809 177.584 -0.147 0.000 1.081 388 A CA 0.862 52.788 52.037 -0.184 0.000 0.995 388 A CB -0.822 18.103 19.000 -0.126 0.000 1.067 388 A HN 1.220 nan 8.150 nan 0.000 0.533 389 T N 0.000 114.459 114.554 -0.158 0.000 3.816 389 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 389 T CA 0.000 62.035 62.100 -0.108 0.000 1.349 389 T CB 0.000 68.802 68.868 -0.110 0.000 0.612 389 T HN 0.000 nan 8.240 nan 0.000 0.658