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 3kcv_1_I DATA FIRST_RESID 29 DATA SEQUENCE KHPLKTFYLA ITAGVFISIA FVFYITATTG TGTMPFGMAK LVGGICFSLG DATA SEQUENCE LILCVVCGAD LFTSTVLIVV AKASGRITWG QLAKNWLNVY FGNLVGALLF DATA SEQUENCE VLLMWLSGEY MTANGQWGLN VLQTADHKVH HTFIEAVCLG ILANLMVCLA DATA SEQUENCE VWMSYSGRSL MDKAFIMVLP VAMFVASGFE HSIANMFMIP MGIVIRDFAS DATA SEQUENCE PEFWTAVGSA PENFSHLTVM NFITDNLIPV TIGNIIGGGL LVGLTYWVIY DATA SEQUENCE LR 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 29 K HA 0.000 nan 4.320 nan 0.000 0.191 29 K C 0.000 176.641 176.600 0.069 0.000 0.988 29 K CA 0.000 56.320 56.287 0.055 0.000 0.838 29 K CB 0.000 32.529 32.500 0.049 0.000 1.064 30 H N 2.897 121.983 119.070 0.028 0.000 3.026 30 H HA 0.251 4.807 4.556 0.001 0.000 0.289 30 H C -1.986 173.355 175.328 0.022 0.000 1.022 30 H CA -1.483 54.578 56.048 0.023 0.000 1.477 30 H CB 1.701 31.480 29.762 0.028 0.000 1.510 30 H HN 0.161 nan 8.280 nan 0.000 0.535 31 P HA -0.192 nan 4.420 nan 0.000 0.216 31 P C 1.731 179.106 177.300 0.124 0.000 1.150 31 P CA 0.556 63.740 63.100 0.141 0.000 0.837 31 P CB 0.346 32.095 31.700 0.080 0.000 0.786 32 L N 0.152 121.458 121.223 0.137 0.000 2.027 32 L HA -0.114 4.226 4.340 0.001 0.000 0.206 32 L C 2.296 179.022 176.870 -0.241 0.000 1.074 32 L CA 1.964 56.708 54.840 -0.160 0.000 0.745 32 L CB -1.174 40.766 42.059 -0.199 0.000 0.898 32 L HN -0.199 nan 8.230 nan 0.000 0.433 33 K N -1.355 119.015 120.400 -0.051 0.000 2.009 33 K HA -0.211 4.110 4.320 0.001 0.000 0.210 33 K C 2.037 178.689 176.600 0.087 0.000 1.049 33 K CA 2.090 58.412 56.287 0.058 0.000 0.929 33 K CB -0.358 32.192 32.500 0.083 0.000 0.714 33 K HN 0.361 nan 8.250 nan 0.000 0.440 34 T N 0.624 115.239 114.554 0.103 0.000 2.699 34 T HA -0.185 4.165 4.350 0.001 0.000 0.268 34 T C 1.376 176.144 174.700 0.114 0.000 1.036 34 T CA 1.571 63.741 62.100 0.117 0.000 1.147 34 T CB -0.325 68.630 68.868 0.144 0.000 0.862 34 T HN 0.314 nan 8.240 nan 0.000 0.446 35 F N 0.513 120.416 119.950 -0.078 0.000 2.146 35 F HA -0.096 4.432 4.527 0.001 0.000 0.298 35 F C 1.841 177.593 175.800 -0.080 0.000 1.096 35 F CA 1.122 59.053 58.000 -0.116 0.000 1.275 35 F CB -0.356 38.500 39.000 -0.240 0.000 1.008 35 F HN 0.178 nan 8.300 nan 0.000 0.480 36 Y N 0.511 120.855 120.300 0.073 0.000 2.242 36 Y HA -0.143 4.407 4.550 0.001 0.000 0.291 36 Y C 2.349 178.154 175.900 -0.158 0.000 1.137 36 Y CA 1.040 59.100 58.100 -0.068 0.000 1.181 36 Y CB -1.204 37.266 38.460 0.016 0.000 0.989 36 Y HN 0.073 nan 8.280 nan 0.000 0.527 37 L N -1.025 120.229 121.223 0.051 0.000 2.201 37 L HA -0.146 4.194 4.340 0.001 0.000 0.212 37 L C 2.538 179.334 176.870 -0.124 0.000 1.105 37 L CA 0.887 55.697 54.840 -0.051 0.000 0.775 37 L CB -0.755 41.307 42.059 0.004 0.000 0.913 37 L HN 0.174 nan 8.230 nan 0.000 0.440 38 A N 0.570 123.314 122.820 -0.126 0.000 1.897 38 A HA -0.115 4.205 4.320 0.001 0.000 0.215 38 A C 2.193 179.618 177.584 -0.266 0.000 1.181 38 A CA 1.131 53.073 52.037 -0.158 0.000 0.620 38 A CB -0.457 18.454 19.000 -0.148 0.000 0.821 38 A HN 0.330 nan 8.150 nan 0.000 0.443 39 I N -0.489 119.864 120.570 -0.362 0.000 2.226 39 I HA -0.209 3.961 4.170 0.001 0.000 0.245 39 I C 2.479 178.420 176.117 -0.293 0.000 1.100 39 I CA 1.684 62.786 61.300 -0.330 0.000 1.374 39 I CB -0.801 37.023 38.000 -0.293 0.000 1.057 39 I HN 0.213 nan 8.210 nan 0.000 0.413 40 T N 0.866 115.219 114.554 -0.336 0.000 2.788 40 T HA -0.136 4.215 4.350 0.001 0.000 0.268 40 T C 2.054 176.285 174.700 -0.782 0.000 1.044 40 T CA 1.469 63.230 62.100 -0.564 0.000 1.139 40 T CB -0.221 68.281 68.868 -0.610 0.000 0.867 40 T HN 0.492 nan 8.240 nan 0.000 0.454 41 A N 1.298 123.825 122.820 -0.489 0.000 1.898 41 A HA 0.179 4.499 4.320 0.001 0.000 0.216 41 A C 2.639 180.127 177.584 -0.161 0.000 1.181 41 A CA 1.720 53.587 52.037 -0.284 0.000 0.620 41 A CB -1.345 17.592 19.000 -0.105 0.000 0.819 41 A HN 0.496 nan 8.150 nan 0.000 0.442 42 G N -0.422 108.279 108.800 -0.166 0.000 2.469 42 G HA2 -0.193 3.767 3.960 0.001 0.000 0.219 42 G HA3 -0.193 3.767 3.960 0.001 0.000 0.219 42 G C 1.525 176.340 174.900 -0.142 0.000 1.150 42 G CA 1.419 46.455 45.100 -0.106 0.000 0.763 42 G HN 0.325 nan 8.290 nan 0.000 0.561 43 V N 0.313 120.083 119.914 -0.240 0.000 2.323 43 V HA -0.043 4.077 4.120 0.001 0.000 0.244 43 V C 2.537 178.434 176.094 -0.329 0.000 1.041 43 V CA 1.212 63.277 62.300 -0.392 0.000 1.025 43 V CB -0.579 31.043 31.823 -0.336 0.000 0.656 43 V HN 0.258 nan 8.190 nan 0.000 0.451 44 F N -0.526 119.217 119.950 -0.345 0.000 2.154 44 F HA -0.196 4.332 4.527 0.001 0.000 0.301 44 F C 2.198 177.793 175.800 -0.343 0.000 1.087 44 F CA 1.307 59.121 58.000 -0.310 0.000 1.274 44 F CB -0.921 37.955 39.000 -0.207 0.000 1.009 44 F HN 0.143 nan 8.300 nan 0.000 0.485 45 I N -0.553 119.964 120.570 -0.088 0.000 2.406 45 I HA -0.183 3.987 4.170 0.001 0.000 0.249 45 I C 2.353 178.366 176.117 -0.172 0.000 1.122 45 I CA 1.076 62.280 61.300 -0.160 0.000 1.431 45 I CB -0.696 37.288 38.000 -0.026 0.000 1.087 45 I HN -0.093 nan 8.210 nan 0.000 0.424 46 S N 0.501 116.061 115.700 -0.234 0.000 2.356 46 S HA -0.133 4.337 4.470 0.001 0.000 0.223 46 S C 2.132 176.485 174.600 -0.412 0.000 1.032 46 S CA 1.504 59.427 58.200 -0.460 0.000 1.005 46 S CB -0.437 62.456 63.200 -0.513 0.000 0.867 46 S HN 0.401 nan 8.310 nan 0.000 0.449 47 I N 1.891 122.186 120.570 -0.460 0.000 2.194 47 I HA -0.299 3.871 4.170 0.001 0.000 0.246 47 I C 2.765 178.846 176.117 -0.058 0.000 1.093 47 I CA 1.178 62.374 61.300 -0.174 0.000 1.355 47 I CB -0.683 37.151 38.000 -0.277 0.000 1.046 47 I HN 0.288 nan 8.210 nan 0.000 0.413 48 A N 0.999 123.671 122.820 -0.247 0.000 1.873 48 A HA -0.266 4.054 4.320 0.001 0.000 0.218 48 A C 2.148 179.766 177.584 0.057 0.000 1.193 48 A CA 1.772 53.538 52.037 -0.452 0.000 0.629 48 A CB -1.009 17.153 19.000 -1.396 0.000 0.826 48 A HN 0.300 nan 8.150 nan 0.000 0.447 49 F N 0.066 120.145 119.950 0.215 0.000 2.026 49 F HA -0.162 4.366 4.527 0.000 0.000 0.296 49 F C 2.636 178.721 175.800 0.475 0.000 1.133 49 F CA 1.208 59.509 58.000 0.502 0.000 1.188 49 F CB -1.083 38.207 39.000 0.483 0.000 0.968 49 F HN 0.023 nan 8.300 nan 0.000 0.476 50 V N 0.049 120.330 119.914 0.612 0.000 2.277 50 V HA -0.396 3.724 4.120 0.001 0.000 0.255 50 V C 2.310 178.806 176.094 0.670 0.000 1.074 50 V CA 2.257 64.966 62.300 0.681 0.000 1.058 50 V CB -0.975 31.178 31.823 0.550 0.000 0.656 50 V HN 0.321 nan 8.190 nan 0.000 0.449 51 F N -0.162 119.997 119.950 0.347 0.000 2.126 51 F HA -0.223 4.305 4.527 0.001 0.000 0.299 51 F C 2.323 178.293 175.800 0.283 0.000 1.096 51 F CA 1.756 59.910 58.000 0.256 0.000 1.255 51 F CB -0.920 38.162 39.000 0.137 0.000 0.997 51 F HN 0.368 nan 8.300 nan 0.000 0.479 52 Y N 0.087 120.553 120.300 0.277 0.000 2.181 52 Y HA -0.216 4.334 4.550 0.001 0.000 0.288 52 Y C 2.254 178.199 175.900 0.075 0.000 1.146 52 Y CA 1.818 60.000 58.100 0.136 0.000 1.164 52 Y CB -0.486 38.174 38.460 0.334 0.000 0.982 52 Y HN -0.013 nan 8.280 nan 0.000 0.515 53 I N 0.231 120.857 120.570 0.094 0.000 2.179 53 I HA -0.295 3.876 4.170 0.001 0.000 0.242 53 I C 2.346 178.363 176.117 -0.167 0.000 1.088 53 I CA 1.970 63.128 61.300 -0.237 0.000 1.357 53 I CB -1.664 36.079 38.000 -0.428 0.000 1.051 53 I HN 0.280 nan 8.210 nan 0.000 0.409 54 T N 1.214 115.926 114.554 0.264 0.000 2.720 54 T HA -0.147 4.203 4.350 0.001 0.000 0.268 54 T C 1.942 176.690 174.700 0.079 0.000 1.037 54 T CA 1.632 63.964 62.100 0.387 0.000 1.144 54 T CB -0.237 68.940 68.868 0.515 0.000 0.864 54 T HN 0.466 nan 8.240 nan 0.000 0.444 55 A N 1.273 124.030 122.820 -0.105 0.000 1.969 55 A HA -0.054 4.266 4.320 0.001 0.000 0.218 55 A C 2.400 179.848 177.584 -0.227 0.000 1.169 55 A CA 1.890 53.803 52.037 -0.207 0.000 0.635 55 A CB -0.727 18.054 19.000 -0.366 0.000 0.810 55 A HN 0.599 nan 8.150 nan 0.000 0.445 56 T N -3.757 110.591 114.554 -0.345 0.000 3.122 56 T HA 0.198 4.548 4.350 0.001 0.000 0.250 56 T C 0.449 175.005 174.700 -0.240 0.000 1.067 56 T CA 0.378 62.263 62.100 -0.358 0.000 0.966 56 T CB -0.378 68.126 68.868 -0.606 0.000 1.002 56 T HN 0.105 nan 8.240 nan 0.000 0.542 57 T N 2.050 116.505 114.554 -0.165 0.000 2.869 57 T HA 0.506 4.856 4.350 0.001 0.000 0.295 57 T C 1.262 175.939 174.700 -0.038 0.000 0.987 57 T CA 0.609 62.653 62.100 -0.094 0.000 1.109 57 T CB 0.580 69.439 68.868 -0.015 0.000 0.932 57 T HN 0.695 nan 8.240 nan 0.000 0.518 58 G N 2.573 111.357 108.800 -0.028 0.000 2.147 58 G HA2 -0.283 3.677 3.960 0.001 0.000 0.244 58 G HA3 -0.283 3.677 3.960 0.001 0.000 0.244 58 G C 0.700 175.585 174.900 -0.024 0.000 1.005 58 G CA 0.572 45.665 45.100 -0.011 0.000 0.713 58 G HN 1.015 nan 8.290 nan 0.000 0.515 59 T N -2.649 111.878 114.554 -0.044 0.000 3.176 59 T HA 0.483 4.833 4.350 0.001 0.000 0.263 59 T C 2.140 176.824 174.700 -0.026 0.000 1.021 59 T CA 0.968 63.039 62.100 -0.048 0.000 0.905 59 T CB 0.600 69.415 68.868 -0.087 0.000 1.057 59 T HN 1.050 nan 8.240 nan 0.000 0.558 60 G N 1.764 110.557 108.800 -0.011 0.000 2.442 60 G HA2 -0.246 3.715 3.960 0.001 0.000 0.219 60 G HA3 -0.246 3.715 3.960 0.001 0.000 0.219 60 G C 1.588 176.495 174.900 0.012 0.000 1.141 60 G CA 1.422 46.527 45.100 0.008 0.000 0.763 60 G HN 0.596 nan 8.290 nan 0.000 0.554 61 T N -0.179 114.377 114.554 0.003 0.000 2.833 61 T HA 0.051 4.402 4.350 0.001 0.000 0.269 61 T C 1.430 176.133 174.700 0.006 0.000 1.054 61 T CA 0.476 62.578 62.100 0.004 0.000 1.135 61 T CB -0.272 68.595 68.868 -0.001 0.000 0.869 61 T HN 0.181 nan 8.240 nan 0.000 0.466 62 M N 1.748 121.348 119.600 -0.000 0.000 2.241 62 M HA 0.320 4.801 4.480 0.001 0.000 0.335 62 M C -2.228 174.083 176.300 0.018 0.000 1.122 62 M CA -2.013 53.285 55.300 -0.003 0.000 1.164 62 M CB 0.740 33.323 32.600 -0.028 0.000 1.459 62 M HN -0.016 nan 8.290 nan 0.000 0.461 63 P HA -0.063 nan 4.420 nan 0.000 0.263 63 P C 0.058 177.397 177.300 0.065 0.000 1.195 63 P CA 0.172 63.303 63.100 0.051 0.000 0.762 63 P CB 0.135 31.852 31.700 0.029 0.000 0.799 64 F N 4.438 124.366 119.950 -0.036 0.000 2.063 64 F HA -0.254 4.273 4.527 0.000 0.000 0.298 64 F C 2.109 177.880 175.800 -0.049 0.000 1.109 64 F CA 2.600 60.574 58.000 -0.044 0.000 1.212 64 F CB -0.914 38.062 39.000 -0.039 0.000 0.973 64 F HN 0.366 nan 8.300 nan 0.000 0.480 65 G N 0.067 108.793 108.800 -0.123 0.000 2.421 65 G HA2 -0.278 3.682 3.960 0.001 0.000 0.216 65 G HA3 -0.278 3.682 3.960 0.001 0.000 0.216 65 G C 1.480 176.251 174.900 -0.215 0.000 1.171 65 G CA 1.099 46.057 45.100 -0.236 0.000 0.775 65 G HN 0.347 nan 8.290 nan 0.000 0.543 66 M N 1.279 120.805 119.600 -0.123 0.000 2.117 66 M HA 0.137 4.618 4.480 0.001 0.000 0.262 66 M C 2.819 179.031 176.300 -0.147 0.000 1.065 66 M CA 1.146 56.382 55.300 -0.108 0.000 1.114 66 M CB -0.738 31.824 32.600 -0.062 0.000 1.361 66 M HN 0.289 nan 8.290 nan 0.000 0.408 67 A N -1.171 121.542 122.820 -0.177 0.000 1.897 67 A HA -0.123 4.198 4.320 0.001 0.000 0.215 67 A C 2.189 179.623 177.584 -0.249 0.000 1.181 67 A CA 1.494 53.414 52.037 -0.196 0.000 0.620 67 A CB -0.401 18.495 19.000 -0.174 0.000 0.821 67 A HN 0.304 nan 8.150 nan 0.000 0.443 68 K N -0.503 119.694 120.400 -0.338 0.000 2.097 68 K HA -0.021 4.300 4.320 0.001 0.000 0.205 68 K C 1.765 178.248 176.600 -0.195 0.000 1.050 68 K CA 0.968 57.079 56.287 -0.293 0.000 0.938 68 K CB -0.569 31.622 32.500 -0.515 0.000 0.718 68 K HN 0.408 nan 8.250 nan 0.000 0.442 69 L N 0.255 121.353 121.223 -0.210 0.000 1.955 69 L HA -0.185 4.156 4.340 0.001 0.000 0.213 69 L C 1.853 178.647 176.870 -0.126 0.000 1.072 69 L CA 1.708 56.458 54.840 -0.151 0.000 0.755 69 L CB -0.789 41.194 42.059 -0.126 0.000 0.888 69 L HN -0.022 nan 8.230 nan 0.000 0.432 70 V N 0.494 120.327 119.914 -0.135 0.000 2.380 70 V HA -0.276 3.844 4.120 0.001 0.000 0.251 70 V C 2.610 178.606 176.094 -0.164 0.000 1.063 70 V CA 1.804 64.019 62.300 -0.142 0.000 1.055 70 V CB -1.678 30.058 31.823 -0.145 0.000 0.657 70 V HN 0.715 nan 8.190 nan 0.000 0.455 71 G N 0.046 108.751 108.800 -0.157 0.000 2.446 71 G HA2 -0.190 3.771 3.960 0.001 0.000 0.217 71 G HA3 -0.190 3.771 3.960 0.001 0.000 0.217 71 G C 1.638 176.644 174.900 0.176 0.000 1.168 71 G CA 0.939 45.996 45.100 -0.071 0.000 0.771 71 G HN 0.587 nan 8.290 nan 0.000 0.551 72 G N 0.783 109.617 108.800 0.056 0.000 2.422 72 G HA2 -0.150 3.811 3.960 0.001 0.000 0.218 72 G HA3 -0.150 3.811 3.960 0.001 0.000 0.218 72 G C 1.772 176.665 174.900 -0.012 0.000 1.146 72 G CA 0.743 45.807 45.100 -0.061 0.000 0.769 72 G HN 0.450 nan 8.290 nan 0.000 0.547 73 I N 0.198 120.738 120.570 -0.050 0.000 2.394 73 I HA -0.145 4.025 4.170 0.001 0.000 0.251 73 I C 2.564 178.659 176.117 -0.038 0.000 1.136 73 I CA 0.371 61.636 61.300 -0.057 0.000 1.425 73 I CB -0.109 37.837 38.000 -0.090 0.000 1.079 73 I HN 0.175 nan 8.210 nan 0.000 0.425 74 C N -0.023 119.212 119.300 -0.109 0.000 2.432 74 C HA -0.159 4.302 4.460 0.001 0.000 0.280 74 C C 2.635 177.702 174.990 0.128 0.000 1.353 74 C CA 0.352 59.229 59.018 -0.235 0.000 1.766 74 C CB -1.076 26.077 27.740 -0.978 0.000 1.924 74 C HN 0.515 nan 8.230 nan 0.000 0.509 75 F N 2.604 122.531 119.950 -0.037 0.000 2.259 75 F HA -0.097 4.430 4.527 0.000 0.000 0.298 75 F C 2.584 178.361 175.800 -0.037 0.000 1.088 75 F CA 1.663 59.642 58.000 -0.036 0.000 1.358 75 F CB -0.290 38.582 39.000 -0.214 0.000 1.040 75 F HN 0.252 nan 8.300 nan 0.000 0.505 76 S N 0.580 116.303 115.700 0.037 0.000 2.442 76 S HA -0.213 4.258 4.470 0.001 0.000 0.236 76 S C 2.241 176.771 174.600 -0.116 0.000 1.007 76 S CA 1.035 59.216 58.200 -0.032 0.000 0.965 76 S CB -1.163 62.036 63.200 -0.001 0.000 0.773 76 S HN 0.556 nan 8.310 nan 0.000 0.504 77 L N 1.511 122.681 121.223 -0.089 0.000 2.103 77 L HA -0.164 4.176 4.340 0.001 0.000 0.215 77 L C 2.435 179.145 176.870 -0.267 0.000 1.080 77 L CA 2.092 56.847 54.840 -0.141 0.000 0.764 77 L CB -1.451 40.562 42.059 -0.078 0.000 0.890 77 L HN 0.564 nan 8.230 nan 0.000 0.435 78 G N -0.266 108.321 108.800 -0.355 0.000 2.404 78 G HA2 -0.295 3.665 3.960 0.001 0.000 0.215 78 G HA3 -0.295 3.665 3.960 0.001 0.000 0.215 78 G C 1.482 176.238 174.900 -0.240 0.000 1.174 78 G CA 0.732 45.600 45.100 -0.387 0.000 0.780 78 G HN 0.349 nan 8.290 nan 0.000 0.537 79 L N 0.766 121.871 121.223 -0.196 0.000 2.056 79 L HA 0.135 4.476 4.340 0.001 0.000 0.207 79 L C 2.734 179.564 176.870 -0.066 0.000 1.078 79 L CA 1.062 55.856 54.840 -0.076 0.000 0.749 79 L CB -0.305 41.741 42.059 -0.021 0.000 0.901 79 L HN 0.247 nan 8.230 nan 0.000 0.433 80 I N -1.496 119.014 120.570 -0.100 0.000 2.052 80 I HA -0.353 3.817 4.170 0.001 0.000 0.235 80 I C 2.355 178.388 176.117 -0.141 0.000 1.046 80 I CA 1.149 62.393 61.300 -0.094 0.000 1.308 80 I CB -0.620 37.322 38.000 -0.097 0.000 1.031 80 I HN 0.237 nan 8.210 nan 0.000 0.395 81 L N 0.785 121.827 121.223 -0.303 0.000 2.030 81 L HA -0.338 4.002 4.340 0.001 0.000 0.222 81 L C 2.735 179.441 176.870 -0.273 0.000 1.082 81 L CA 1.925 56.407 54.840 -0.597 0.000 0.785 81 L CB -1.096 40.222 42.059 -1.235 0.000 0.895 81 L HN 0.423 nan 8.230 nan 0.000 0.439 82 C N -2.123 117.225 119.300 0.081 0.000 2.401 82 C HA -0.180 4.280 4.460 0.001 0.000 0.276 82 C C 2.755 177.873 174.990 0.213 0.000 1.233 82 C CA 1.032 60.303 59.018 0.420 0.000 1.753 82 C CB -0.745 27.145 27.740 0.249 0.000 2.029 82 C HN 0.463 nan 8.230 nan 0.000 0.478 83 V N -0.027 119.946 119.914 0.098 0.000 2.256 83 V HA -0.108 4.012 4.120 0.001 0.000 0.240 83 V C 2.143 178.286 176.094 0.080 0.000 1.036 83 V CA 1.826 64.173 62.300 0.078 0.000 1.008 83 V CB -0.596 31.243 31.823 0.027 0.000 0.648 83 V HN 0.364 nan 8.190 nan 0.000 0.453 84 V N -1.021 118.919 119.914 0.042 0.000 3.330 84 V HA -0.191 3.930 4.120 0.001 0.000 0.273 84 V C 1.672 177.800 176.094 0.058 0.000 1.179 84 V CA 1.483 63.803 62.300 0.034 0.000 1.174 84 V CB -1.077 30.745 31.823 -0.002 0.000 0.794 84 V HN 0.686 nan 8.190 nan 0.000 0.527 85 C N -0.570 118.801 119.300 0.119 0.000 3.757 85 C HA 0.538 4.998 4.460 0.001 0.000 0.358 85 C C 1.825 176.911 174.990 0.161 0.000 1.484 85 C CA -0.081 59.044 59.018 0.178 0.000 1.862 85 C CB -0.129 27.824 27.740 0.355 0.000 2.654 85 C HN 0.700 nan 8.230 nan 0.000 0.699 86 G N 1.756 110.644 108.800 0.146 0.000 2.198 86 G HA2 -0.005 3.955 3.960 0.001 0.000 0.257 86 G HA3 -0.005 3.955 3.960 0.001 0.000 0.257 86 G C 0.066 175.012 174.900 0.076 0.000 1.042 86 G CA 0.430 45.595 45.100 0.109 0.000 0.791 86 G HN 0.950 nan 8.290 nan 0.000 0.502 87 A N -0.486 122.376 122.820 0.069 0.000 2.322 87 A HA 0.581 4.901 4.320 0.001 0.000 0.269 87 A C 0.306 177.892 177.584 0.004 0.000 1.094 87 A CA 0.035 52.031 52.037 -0.069 0.000 0.807 87 A CB 0.623 19.407 19.000 -0.361 0.000 1.047 87 A HN 0.294 nan 8.150 nan 0.000 0.487 88 D N 1.515 121.906 120.400 -0.015 0.000 2.456 88 D HA 0.360 5.001 4.640 0.001 0.000 0.219 88 D C -1.188 175.151 176.300 0.064 0.000 1.126 88 D CA -0.094 53.937 54.000 0.052 0.000 0.890 88 D CB 0.445 41.288 40.800 0.072 0.000 1.025 88 D HN 0.302 nan 8.370 nan 0.000 0.511 89 L N 5.416 126.694 121.223 0.092 0.000 2.265 89 L HA 0.361 4.701 4.340 0.001 0.000 0.288 89 L C -0.369 176.601 176.870 0.167 0.000 1.058 89 L CA -0.653 54.264 54.840 0.130 0.000 0.809 89 L CB 0.577 42.707 42.059 0.118 0.000 1.179 89 L HN 0.209 nan 8.230 nan 0.000 0.429 90 F N 5.886 125.873 119.950 0.063 0.000 2.395 90 F HA -0.051 4.476 4.527 0.001 0.000 0.421 90 F C 1.590 177.325 175.800 -0.108 0.000 0.942 90 F CA 1.590 59.583 58.000 -0.012 0.000 1.107 90 F CB 0.028 39.075 39.000 0.078 0.000 0.895 90 F HN 0.954 nan 8.300 nan 0.000 0.522 91 T N -0.023 114.007 114.554 -0.872 0.000 8.709 91 T HA -0.379 3.972 4.350 0.001 0.000 0.337 91 T C 1.409 175.999 174.700 -0.182 0.000 1.937 91 T CA 1.544 63.217 62.100 -0.711 0.000 2.878 91 T CB -2.437 65.859 68.868 -0.953 0.000 2.537 91 T HN 1.192 nan 8.240 nan 0.000 1.198 92 S N 1.356 117.034 115.700 -0.037 0.000 2.453 92 S HA -0.049 4.421 4.470 0.001 0.000 0.231 92 S C 2.017 176.679 174.600 0.103 0.000 1.005 92 S CA 1.436 59.663 58.200 0.044 0.000 0.949 92 S CB -0.849 62.392 63.200 0.068 0.000 0.774 92 S HN 1.269 nan 8.310 nan 0.000 0.510 93 T N -1.339 113.291 114.554 0.128 0.000 3.081 93 T HA 0.207 4.558 4.350 0.001 0.000 0.255 93 T C 1.559 176.409 174.700 0.251 0.000 1.113 93 T CA 0.497 62.725 62.100 0.213 0.000 1.082 93 T CB -0.409 68.586 68.868 0.211 0.000 0.939 93 T HN 0.184 nan 8.240 nan 0.000 0.506 94 V N 1.557 121.603 119.914 0.221 0.000 2.613 94 V HA -0.171 3.950 4.120 0.001 0.000 0.259 94 V C 2.128 178.373 176.094 0.250 0.000 1.099 94 V CA 1.445 63.935 62.300 0.317 0.000 1.115 94 V CB -0.819 31.120 31.823 0.193 0.000 0.686 94 V HN 0.581 nan 8.190 nan 0.000 0.481 95 L N -1.016 120.364 121.223 0.261 0.000 1.900 95 L HA -0.205 4.135 4.340 0.001 0.000 0.230 95 L C 2.311 179.345 176.870 0.273 0.000 1.089 95 L CA 2.023 57.063 54.840 0.333 0.000 0.807 95 L CB -0.992 41.426 42.059 0.600 0.000 0.895 95 L HN 0.225 nan 8.230 nan 0.000 0.430 96 I N -0.205 120.526 120.570 0.268 0.000 2.194 96 I HA -0.237 3.933 4.170 0.001 0.000 0.246 96 I C 2.375 178.547 176.117 0.091 0.000 1.093 96 I CA 1.171 62.555 61.300 0.140 0.000 1.355 96 I CB -0.645 37.390 38.000 0.058 0.000 1.046 96 I HN 0.057 nan 8.210 nan 0.000 0.413 97 V N 0.216 120.195 119.914 0.107 0.000 3.026 97 V HA -0.164 3.957 4.120 0.001 0.000 0.265 97 V C 2.161 178.225 176.094 -0.049 0.000 1.121 97 V CA 1.514 63.831 62.300 0.029 0.000 1.142 97 V CB -0.625 31.233 31.823 0.059 0.000 0.730 97 V HN 0.495 nan 8.190 nan 0.000 0.503 98 V N -2.982 116.938 119.914 0.010 0.000 3.307 98 V HA 0.370 4.490 4.120 0.001 0.000 0.244 98 V C 2.323 178.408 176.094 -0.016 0.000 1.196 98 V CA 0.922 63.199 62.300 -0.039 0.000 1.132 98 V CB -0.190 31.648 31.823 0.024 0.000 0.875 98 V HN 0.238 nan 8.190 nan 0.000 0.468 99 A N 1.241 124.087 122.820 0.042 0.000 1.997 99 A HA -0.213 4.107 4.320 0.001 0.000 0.221 99 A C 2.144 179.735 177.584 0.012 0.000 1.172 99 A CA 2.460 54.531 52.037 0.057 0.000 0.645 99 A CB -0.563 18.508 19.000 0.119 0.000 0.813 99 A HN 0.542 nan 8.150 nan 0.000 0.454 100 K N -0.251 120.138 120.400 -0.019 0.000 2.021 100 K HA 0.198 4.519 4.320 0.001 0.000 0.205 100 K C 2.147 178.664 176.600 -0.138 0.000 1.047 100 K CA 1.030 57.276 56.287 -0.069 0.000 0.943 100 K CB -1.555 30.901 32.500 -0.073 0.000 0.725 100 K HN 0.438 nan 8.250 nan 0.000 0.439 101 A N 1.924 124.614 122.820 -0.217 0.000 2.648 101 A HA -0.386 3.934 4.320 0.001 0.000 0.237 101 A C 2.352 179.722 177.584 -0.356 0.000 1.571 101 A CA 4.220 56.037 52.037 -0.366 0.000 1.044 101 A CB -1.808 16.951 19.000 -0.402 0.000 0.632 101 A HN 0.502 nan 8.150 nan 0.000 0.501 102 S N -0.388 115.139 115.700 -0.288 0.000 2.359 102 S HA -0.055 4.415 4.470 0.001 0.000 0.223 102 S C 2.161 176.705 174.600 -0.093 0.000 1.039 102 S CA 2.336 60.431 58.200 -0.175 0.000 1.042 102 S CB -1.765 61.397 63.200 -0.064 0.000 0.915 102 S HN 1.630 nan 8.310 nan 0.000 0.439 103 G N 1.842 110.609 108.800 -0.056 0.000 2.631 103 G HA2 -0.100 3.860 3.960 0.001 0.000 0.219 103 G HA3 -0.100 3.860 3.960 0.001 0.000 0.219 103 G C 0.743 175.608 174.900 -0.058 0.000 1.214 103 G CA 0.928 46.013 45.100 -0.025 0.000 0.785 103 G HN 0.623 nan 8.290 nan 0.000 0.596 104 R N -1.794 118.643 120.500 -0.105 0.000 5.208 104 R HA 0.314 4.655 4.340 0.001 0.000 0.288 104 R C -2.218 173.993 176.300 -0.149 0.000 0.911 104 R CA -0.523 55.499 56.100 -0.130 0.000 1.439 104 R CB 0.243 30.493 30.300 -0.083 0.000 1.266 104 R HN 0.233 nan 8.270 nan 0.000 0.620 105 I N 0.929 121.369 120.570 -0.217 0.000 2.639 105 I HA 0.025 4.196 4.170 0.001 0.000 0.293 105 I C -0.307 175.618 176.117 -0.320 0.000 1.762 105 I CA 0.004 61.173 61.300 -0.217 0.000 0.993 105 I CB 2.268 40.154 38.000 -0.190 0.000 1.518 105 I HN 0.488 nan 8.210 nan 0.000 0.517 106 T N 4.056 118.466 114.554 -0.240 0.000 2.900 106 T HA 0.054 4.405 4.350 0.001 0.000 0.307 106 T C 0.968 175.501 174.700 -0.279 0.000 1.065 106 T CA 0.300 62.258 62.100 -0.237 0.000 1.105 106 T CB 0.460 69.275 68.868 -0.088 0.000 0.979 106 T HN 0.583 nan 8.240 nan 0.000 0.544 107 W N 1.313 122.555 121.300 -0.096 0.000 2.355 107 W HA 0.012 4.672 4.660 0.001 0.000 0.309 107 W C 2.672 179.131 176.519 -0.101 0.000 1.206 107 W CA 0.893 58.172 57.345 -0.110 0.000 1.284 107 W CB -0.961 28.448 29.460 -0.085 0.000 1.145 107 W HN 0.946 nan 8.180 nan 0.000 0.502 108 G N 0.344 109.240 108.800 0.161 0.000 2.556 108 G HA2 -0.350 3.610 3.960 0.001 0.000 0.220 108 G HA3 -0.350 3.610 3.960 0.001 0.000 0.220 108 G C 1.319 176.230 174.900 0.018 0.000 1.156 108 G CA 1.524 46.667 45.100 0.072 0.000 0.766 108 G HN 0.360 nan 8.290 nan 0.000 0.583 109 Q N -0.354 119.430 119.800 -0.028 0.000 2.083 109 Q HA 0.119 4.459 4.340 0.001 0.000 0.198 109 Q C 2.748 178.682 176.000 -0.110 0.000 0.969 109 Q CA 0.758 56.524 55.803 -0.062 0.000 0.838 109 Q CB -0.219 28.468 28.738 -0.086 0.000 0.900 109 Q HN 0.473 nan 8.270 nan 0.000 0.436 110 L N 0.436 121.552 121.223 -0.178 0.000 2.012 110 L HA -0.222 4.118 4.340 0.001 0.000 0.210 110 L C 2.555 179.229 176.870 -0.327 0.000 1.073 110 L CA 1.162 55.794 54.840 -0.347 0.000 0.748 110 L CB -0.738 41.073 42.059 -0.413 0.000 0.891 110 L HN 0.210 nan 8.230 nan 0.000 0.431 111 A N 0.406 123.167 122.820 -0.098 0.000 1.841 111 A HA -0.294 4.026 4.320 0.001 0.000 0.216 111 A C 2.325 179.951 177.584 0.070 0.000 1.199 111 A CA 2.195 54.248 52.037 0.026 0.000 0.621 111 A CB -0.626 18.420 19.000 0.077 0.000 0.835 111 A HN 0.273 nan 8.150 nan 0.000 0.445 112 K N -0.016 120.413 120.400 0.048 0.000 2.228 112 K HA -0.248 4.072 4.320 0.001 0.000 0.205 112 K C 1.778 178.449 176.600 0.118 0.000 1.045 112 K CA 2.018 58.350 56.287 0.075 0.000 0.931 112 K CB -0.338 32.187 32.500 0.042 0.000 0.727 112 K HN 0.620 nan 8.250 nan 0.000 0.458 113 N N -0.890 117.860 118.700 0.085 0.000 2.148 113 N HA -0.122 4.618 4.740 0.001 0.000 0.186 113 N C 1.291 177.025 175.510 0.373 0.000 1.031 113 N CA 1.395 54.541 53.050 0.159 0.000 0.848 113 N CB -0.202 38.315 38.487 0.049 0.000 1.005 113 N HN 0.194 nan 8.380 nan 0.000 0.427 114 W N 0.829 122.223 121.300 0.158 0.000 2.338 114 W HA -0.050 4.610 4.660 0.001 0.000 0.304 114 W C 2.060 178.805 176.519 0.376 0.000 1.212 114 W CA 0.281 57.773 57.345 0.245 0.000 1.264 114 W CB -1.296 28.257 29.460 0.156 0.000 1.142 114 W HN 0.200 nan 8.180 nan 0.000 0.512 115 L N 1.050 122.566 121.223 0.489 0.000 2.021 115 L HA -0.296 4.045 4.340 0.001 0.000 0.215 115 L C 2.319 179.467 176.870 0.464 0.000 1.074 115 L CA 2.144 57.217 54.840 0.390 0.000 0.760 115 L CB -1.144 41.068 42.059 0.254 0.000 0.889 115 L HN 0.028 nan 8.230 nan 0.000 0.433 116 N N -0.729 118.229 118.700 0.430 0.000 2.135 116 N HA -0.130 4.610 4.740 0.001 0.000 0.186 116 N C 1.801 177.588 175.510 0.462 0.000 1.027 116 N CA 1.759 55.091 53.050 0.469 0.000 0.849 116 N CB 0.091 38.794 38.487 0.360 0.000 1.002 116 N HN 0.244 nan 8.380 nan 0.000 0.425 117 V N 0.913 121.086 119.914 0.433 0.000 2.332 117 V HA -0.230 3.891 4.120 0.001 0.000 0.248 117 V C 2.168 178.478 176.094 0.359 0.000 1.055 117 V CA 1.524 64.039 62.300 0.357 0.000 1.038 117 V CB -0.970 31.096 31.823 0.406 0.000 0.651 117 V HN 0.303 nan 8.190 nan 0.000 0.450 118 Y N 0.269 120.774 120.300 0.341 0.000 2.097 118 Y HA -0.281 4.269 4.550 0.001 0.000 0.282 118 Y C 2.350 178.338 175.900 0.147 0.000 1.152 118 Y CA 1.915 60.092 58.100 0.128 0.000 1.136 118 Y CB -0.592 37.888 38.460 0.032 0.000 0.975 118 Y HN 0.285 nan 8.280 nan 0.000 0.498 119 F N 0.201 120.252 119.950 0.168 0.000 2.186 119 F HA 0.032 4.559 4.527 0.001 0.000 0.299 119 F C 2.265 178.071 175.800 0.010 0.000 1.090 119 F CA 1.582 59.647 58.000 0.109 0.000 1.307 119 F CB -0.995 38.167 39.000 0.270 0.000 1.019 119 F HN 0.008 nan 8.300 nan 0.000 0.489 120 G N 0.127 108.724 108.800 -0.339 0.000 2.402 120 G HA2 -0.290 3.671 3.960 0.001 0.000 0.216 120 G HA3 -0.290 3.671 3.960 0.001 0.000 0.216 120 G C 1.557 176.156 174.900 -0.502 0.000 1.162 120 G CA 0.867 45.434 45.100 -0.889 0.000 0.777 120 G HN 0.480 nan 8.290 nan 0.000 0.539 121 N N -0.151 118.396 118.700 -0.255 0.000 2.104 121 N HA -0.131 4.610 4.740 0.001 0.000 0.190 121 N C 2.107 177.514 175.510 -0.173 0.000 1.024 121 N CA 1.081 54.028 53.050 -0.171 0.000 0.853 121 N CB -0.139 38.303 38.487 -0.075 0.000 1.008 121 N HN 0.263 nan 8.380 nan 0.000 0.424 122 L N 0.979 122.071 121.223 -0.219 0.000 2.027 122 L HA -0.078 4.263 4.340 0.001 0.000 0.206 122 L C 2.043 178.861 176.870 -0.087 0.000 1.074 122 L CA 1.206 55.964 54.840 -0.137 0.000 0.745 122 L CB -0.488 41.489 42.059 -0.138 0.000 0.898 122 L HN -0.063 nan 8.230 nan 0.000 0.433 123 V N 0.515 120.309 119.914 -0.200 0.000 2.282 123 V HA -0.310 3.811 4.120 0.001 0.000 0.249 123 V C 2.613 178.648 176.094 -0.099 0.000 1.057 123 V CA 2.036 64.230 62.300 -0.177 0.000 1.032 123 V CB -1.595 30.009 31.823 -0.364 0.000 0.645 123 V HN 0.695 nan 8.190 nan 0.000 0.447 124 G N -0.559 108.150 108.800 -0.152 0.000 2.586 124 G HA2 -0.321 3.639 3.960 0.001 0.000 0.218 124 G HA3 -0.321 3.639 3.960 0.001 0.000 0.218 124 G C 1.799 176.719 174.900 0.033 0.000 1.216 124 G CA 1.453 46.499 45.100 -0.091 0.000 0.786 124 G HN 0.665 nan 8.290 nan 0.000 0.583 125 A N 0.468 123.328 122.820 0.066 0.000 1.883 125 A HA 0.006 4.327 4.320 0.001 0.000 0.217 125 A C 2.516 180.280 177.584 0.300 0.000 1.186 125 A CA 1.634 53.809 52.037 0.230 0.000 0.624 125 A CB -0.518 18.623 19.000 0.234 0.000 0.822 125 A HN 0.374 nan 8.150 nan 0.000 0.444 126 L N -0.677 120.648 121.223 0.169 0.000 2.042 126 L HA -0.203 4.137 4.340 0.001 0.000 0.210 126 L C 2.619 179.577 176.870 0.147 0.000 1.076 126 L CA 1.227 56.148 54.840 0.134 0.000 0.749 126 L CB -0.715 41.398 42.059 0.091 0.000 0.893 126 L HN 0.396 nan 8.230 nan 0.000 0.432 127 L N -1.386 119.923 121.223 0.143 0.000 2.079 127 L HA -0.269 4.072 4.340 0.001 0.000 0.210 127 L C 2.587 179.607 176.870 0.249 0.000 1.081 127 L CA 1.341 56.271 54.840 0.151 0.000 0.752 127 L CB -0.510 41.617 42.059 0.113 0.000 0.896 127 L HN 0.184 nan 8.230 nan 0.000 0.433 128 F N -0.192 119.844 119.950 0.143 0.000 2.206 128 F HA -0.132 4.395 4.527 0.000 0.000 0.298 128 F C 2.290 178.311 175.800 0.369 0.000 1.090 128 F CA 0.832 58.957 58.000 0.210 0.000 1.323 128 F CB -0.338 38.755 39.000 0.155 0.000 1.028 128 F HN -0.281 nan 8.300 nan 0.000 0.492 129 V N 0.297 120.482 119.914 0.452 0.000 2.231 129 V HA -0.342 3.778 4.120 0.001 0.000 0.250 129 V C 2.446 178.580 176.094 0.067 0.000 1.058 129 V CA 2.029 64.413 62.300 0.140 0.000 1.022 129 V CB -0.950 30.848 31.823 -0.042 0.000 0.640 129 V HN 0.357 nan 8.190 nan 0.000 0.445 130 L N -0.336 120.925 121.223 0.063 0.000 1.963 130 L HA -0.216 4.125 4.340 0.001 0.000 0.220 130 L C 2.286 179.185 176.870 0.048 0.000 1.076 130 L CA 2.547 57.417 54.840 0.051 0.000 0.772 130 L CB -1.065 41.019 42.059 0.042 0.000 0.892 130 L HN 0.359 nan 8.230 nan 0.000 0.435 131 L N -1.060 120.160 121.223 -0.004 0.000 2.013 131 L HA -0.252 4.088 4.340 0.001 0.000 0.212 131 L C 2.411 179.190 176.870 -0.151 0.000 1.073 131 L CA 2.076 56.868 54.840 -0.081 0.000 0.753 131 L CB -0.586 41.418 42.059 -0.093 0.000 0.890 131 L HN 0.334 nan 8.230 nan 0.000 0.432 132 M N -1.504 117.967 119.600 -0.216 0.000 2.149 132 M HA -0.295 4.185 4.480 0.001 0.000 0.261 132 M C 2.195 178.474 176.300 -0.036 0.000 1.064 132 M CA 1.843 57.036 55.300 -0.178 0.000 1.102 132 M CB -1.488 31.073 32.600 -0.066 0.000 1.369 132 M HN 0.627 nan 8.290 nan 0.000 0.408 133 W N 0.958 122.132 121.300 -0.210 0.000 2.353 133 W HA -0.240 4.420 4.660 0.001 0.000 0.319 133 W C 1.891 178.263 176.519 -0.244 0.000 1.207 133 W CA 0.713 57.902 57.345 -0.259 0.000 1.291 133 W CB -0.137 29.151 29.460 -0.287 0.000 1.159 133 W HN 0.070 nan 8.180 nan 0.000 0.478 134 L N 1.505 122.585 121.223 -0.238 0.000 2.051 134 L HA -0.286 4.054 4.340 0.001 0.000 0.214 134 L C 2.690 179.362 176.870 -0.330 0.000 1.076 134 L CA 2.673 57.328 54.840 -0.308 0.000 0.758 134 L CB -1.946 40.019 42.059 -0.157 0.000 0.890 134 L HN 0.161 nan 8.230 nan 0.000 0.433 135 S N -0.706 114.833 115.700 -0.268 0.000 2.507 135 S HA -0.007 4.463 4.470 0.001 0.000 0.235 135 S C 1.500 175.931 174.600 -0.281 0.000 0.988 135 S CA 0.601 58.656 58.200 -0.241 0.000 0.944 135 S CB -0.456 62.619 63.200 -0.209 0.000 0.762 135 S HN 0.620 nan 8.310 nan 0.000 0.526 136 G N 1.167 109.723 108.800 -0.407 0.000 2.246 136 G HA2 -0.318 3.643 3.960 0.001 0.000 0.273 136 G HA3 -0.318 3.643 3.960 0.001 0.000 0.273 136 G C 0.322 175.131 174.900 -0.150 0.000 1.055 136 G CA 0.547 45.417 45.100 -0.384 0.000 0.851 136 G HN 0.596 nan 8.290 nan 0.000 0.500 137 E N -0.398 119.682 120.200 -0.199 0.000 2.274 137 E HA -0.057 4.294 4.350 0.001 0.000 0.194 137 E C 2.093 178.613 176.600 -0.132 0.000 0.996 137 E CA 1.494 57.702 56.400 -0.319 0.000 0.840 137 E CB -0.294 29.013 29.700 -0.654 0.000 0.772 137 E HN 0.944 nan 8.360 nan 0.000 0.491 138 Y N -0.851 119.390 120.300 -0.097 0.000 2.465 138 Y HA -0.046 4.504 4.550 0.001 0.000 0.289 138 Y C 1.346 177.313 175.900 0.112 0.000 1.150 138 Y CA 0.675 58.870 58.100 0.159 0.000 1.293 138 Y CB -0.525 37.992 38.460 0.096 0.000 0.977 138 Y HN 0.052 nan 8.280 nan 0.000 0.556 139 M N 0.489 119.935 119.600 -0.256 0.000 2.556 139 M HA 0.074 4.555 4.480 0.001 0.000 0.245 139 M C 0.294 176.565 176.300 -0.048 0.000 1.128 139 M CA 0.297 55.440 55.300 -0.262 0.000 1.069 139 M CB -1.119 31.322 32.600 -0.266 0.000 1.469 139 M HN 0.084 nan 8.290 nan 0.000 0.494 140 T N 2.021 116.568 114.554 -0.010 0.000 2.933 140 T HA 0.193 4.544 4.350 0.001 0.000 0.306 140 T C 0.886 175.646 174.700 0.100 0.000 1.045 140 T CA 0.762 62.865 62.100 0.004 0.000 1.143 140 T CB 0.222 69.029 68.868 -0.101 0.000 1.003 140 T HN 0.509 nan 8.240 nan 0.000 0.540 141 A N 4.264 127.119 122.820 0.059 0.000 2.687 141 A HA -0.247 4.074 4.320 0.001 0.000 0.299 141 A C 1.157 178.774 177.584 0.055 0.000 1.497 141 A CA 1.046 53.122 52.037 0.065 0.000 0.751 141 A CB -2.345 16.716 19.000 0.102 0.000 1.048 141 A HN 1.323 nan 8.150 nan 0.000 0.464 142 N N -2.279 116.437 118.700 0.027 0.000 2.776 142 N HA -0.191 4.550 4.740 0.001 0.000 0.249 142 N C 1.171 176.688 175.510 0.012 0.000 1.111 142 N CA 1.854 54.908 53.050 0.006 0.000 0.711 142 N CB -1.203 37.284 38.487 -0.000 0.000 1.065 142 N HN 2.661 nan 8.380 nan 0.000 0.556 143 G N -0.633 108.206 108.800 0.066 0.000 2.205 143 G HA2 -0.357 3.603 3.960 0.001 0.000 0.261 143 G HA3 -0.357 3.603 3.960 0.001 0.000 0.261 143 G C 0.719 175.765 174.900 0.244 0.000 0.980 143 G CA 0.697 45.910 45.100 0.190 0.000 0.632 143 G HN 0.497 nan 8.290 nan 0.000 0.533 144 Q N -1.012 118.876 119.800 0.148 0.000 2.181 144 Q HA -0.102 4.238 4.340 0.001 0.000 0.205 144 Q C 2.018 178.121 176.000 0.172 0.000 0.980 144 Q CA 1.992 57.870 55.803 0.126 0.000 0.862 144 Q CB -0.286 28.503 28.738 0.084 0.000 0.905 144 Q HN 0.842 nan 8.270 nan 0.000 0.429 145 W N 0.995 122.335 121.300 0.066 0.000 2.354 145 W HA -0.114 4.546 4.660 0.000 0.000 0.315 145 W C 2.298 178.872 176.519 0.092 0.000 1.206 145 W CA 2.177 59.561 57.345 0.066 0.000 1.290 145 W CB -0.701 28.795 29.460 0.061 0.000 1.152 145 W HN 0.223 nan 8.180 nan 0.000 0.489 146 G N 0.398 109.508 108.800 0.516 0.000 2.450 146 G HA2 -0.298 3.662 3.960 0.001 0.000 0.220 146 G HA3 -0.298 3.662 3.960 0.001 0.000 0.220 146 G C 1.310 176.332 174.900 0.204 0.000 1.130 146 G CA 1.138 46.449 45.100 0.352 0.000 0.760 146 G HN 0.300 nan 8.290 nan 0.000 0.557 147 L N 1.088 122.478 121.223 0.279 0.000 2.056 147 L HA 0.058 4.398 4.340 0.001 0.000 0.207 147 L C 2.303 179.165 176.870 -0.013 0.000 1.078 147 L CA 1.683 56.630 54.840 0.178 0.000 0.749 147 L CB -0.723 41.430 42.059 0.156 0.000 0.901 147 L HN 0.156 nan 8.230 nan 0.000 0.433 148 N N -0.330 118.304 118.700 -0.110 0.000 2.061 148 N HA -0.191 4.550 4.740 0.001 0.000 0.193 148 N C 1.826 177.165 175.510 -0.285 0.000 1.030 148 N CA 1.925 54.837 53.050 -0.229 0.000 0.856 148 N CB -0.297 37.954 38.487 -0.392 0.000 1.023 148 N HN 0.275 nan 8.380 nan 0.000 0.424 149 V N 1.216 120.902 119.914 -0.380 0.000 2.358 149 V HA -0.166 3.954 4.120 0.001 0.000 0.246 149 V C 2.523 178.432 176.094 -0.307 0.000 1.047 149 V CA 1.078 63.151 62.300 -0.377 0.000 1.035 149 V CB -0.424 31.173 31.823 -0.376 0.000 0.658 149 V HN 0.281 nan 8.190 nan 0.000 0.452 150 L N -0.547 120.504 121.223 -0.287 0.000 2.012 150 L HA -0.295 4.045 4.340 0.001 0.000 0.210 150 L C 2.712 179.277 176.870 -0.507 0.000 1.073 150 L CA 1.962 56.516 54.840 -0.476 0.000 0.748 150 L CB -0.499 41.203 42.059 -0.594 0.000 0.891 150 L HN 0.398 nan 8.230 nan 0.000 0.431 151 Q N -1.016 118.614 119.800 -0.284 0.000 2.083 151 Q HA -0.152 4.189 4.340 0.001 0.000 0.198 151 Q C 2.156 178.129 176.000 -0.046 0.000 0.969 151 Q CA 2.011 57.759 55.803 -0.092 0.000 0.838 151 Q CB -0.236 28.521 28.738 0.033 0.000 0.900 151 Q HN 0.605 nan 8.270 nan 0.000 0.436 152 T N -0.198 114.300 114.554 -0.093 0.000 2.821 152 T HA -0.042 4.308 4.350 0.001 0.000 0.267 152 T C 2.028 176.691 174.700 -0.060 0.000 1.046 152 T CA 0.944 63.013 62.100 -0.053 0.000 1.139 152 T CB -0.318 68.504 68.868 -0.075 0.000 0.871 152 T HN 0.291 nan 8.240 nan 0.000 0.454 153 A N 2.387 125.107 122.820 -0.165 0.000 1.858 153 A HA -0.178 4.143 4.320 0.001 0.000 0.216 153 A C 2.302 179.820 177.584 -0.110 0.000 1.190 153 A CA 1.815 53.745 52.037 -0.180 0.000 0.617 153 A CB -1.037 17.802 19.000 -0.268 0.000 0.827 153 A HN 0.557 nan 8.150 nan 0.000 0.443 154 D N -1.010 119.331 120.400 -0.099 0.000 2.092 154 D HA -0.275 4.365 4.640 0.001 0.000 0.193 154 D C 1.710 178.006 176.300 -0.006 0.000 0.994 154 D CA 1.885 55.870 54.000 -0.024 0.000 0.828 154 D CB -0.409 40.465 40.800 0.125 0.000 0.963 154 D HN 0.645 nan 8.370 nan 0.000 0.450 155 H N 0.814 119.891 119.070 0.012 0.000 2.437 155 H HA -0.118 4.439 4.556 0.001 0.000 0.296 155 H C 2.034 177.288 175.328 -0.123 0.000 1.121 155 H CA 2.235 58.294 56.048 0.019 0.000 1.255 155 H CB 0.100 29.876 29.762 0.024 0.000 1.366 155 H HN 0.110 nan 8.280 nan 0.000 0.512 156 K N -0.243 120.078 120.400 -0.131 0.000 2.103 156 K HA -0.053 4.268 4.320 0.001 0.000 0.204 156 K C 2.188 178.688 176.600 -0.165 0.000 1.052 156 K CA 1.271 57.501 56.287 -0.095 0.000 0.945 156 K CB 0.142 32.705 32.500 0.106 0.000 0.722 156 K HN 0.378 nan 8.250 nan 0.000 0.443 157 V N -1.469 118.299 119.914 -0.243 0.000 2.970 157 V HA -0.128 3.993 4.120 0.001 0.000 0.260 157 V C 0.933 176.818 176.094 -0.349 0.000 1.100 157 V CA 1.265 63.419 62.300 -0.244 0.000 1.122 157 V CB -0.961 30.721 31.823 -0.236 0.000 0.721 157 V HN 0.250 nan 8.190 nan 0.000 0.483 158 H N -0.387 118.490 119.070 -0.321 0.000 2.607 158 H HA 0.269 4.826 4.556 0.001 0.000 0.288 158 H C 0.161 175.292 175.328 -0.328 0.000 1.058 158 H CA -0.128 55.720 56.048 -0.335 0.000 1.178 158 H CB -0.312 29.242 29.762 -0.347 0.000 1.340 158 H HN 0.511 nan 8.280 nan 0.000 0.591 159 H N 0.575 119.612 119.070 -0.055 0.000 2.487 159 H HA 0.078 4.635 4.556 0.001 0.000 0.333 159 H C 0.870 176.193 175.328 -0.009 0.000 1.114 159 H CA -0.295 55.728 56.048 -0.041 0.000 1.310 159 H CB 1.165 30.890 29.762 -0.061 0.000 1.462 159 H HN 0.325 nan 8.280 nan 0.000 0.516 160 T N -0.384 114.263 114.554 0.156 0.000 2.734 160 T HA -0.054 4.296 4.350 0.001 0.000 0.314 160 T C 1.517 176.298 174.700 0.135 0.000 1.057 160 T CA -0.311 61.871 62.100 0.137 0.000 1.047 160 T CB 0.386 69.329 68.868 0.126 0.000 0.991 160 T HN 0.463 nan 8.240 nan 0.000 0.540 161 F N 0.762 120.742 119.950 0.050 0.000 2.095 161 F HA 0.028 4.555 4.527 0.001 0.000 0.298 161 F C 2.241 178.055 175.800 0.024 0.000 1.104 161 F CA 1.485 59.505 58.000 0.034 0.000 1.232 161 F CB -0.198 38.815 39.000 0.022 0.000 0.987 161 F HN 0.541 nan 8.300 nan 0.000 0.475 162 I N -0.100 120.632 120.570 0.269 0.000 2.226 162 I HA -0.281 3.890 4.170 0.001 0.000 0.245 162 I C 2.161 178.322 176.117 0.072 0.000 1.100 162 I CA 1.564 62.965 61.300 0.167 0.000 1.374 162 I CB -0.552 37.519 38.000 0.119 0.000 1.057 162 I HN 0.232 nan 8.210 nan 0.000 0.413 163 E N 0.940 121.175 120.200 0.058 0.000 2.106 163 E HA -0.174 4.177 4.350 0.001 0.000 0.192 163 E C 2.337 178.876 176.600 -0.102 0.000 0.984 163 E CA 1.184 57.592 56.400 0.013 0.000 0.806 163 E CB -0.127 29.619 29.700 0.077 0.000 0.750 163 E HN 0.496 nan 8.360 nan 0.000 0.458 164 A N 1.076 123.822 122.820 -0.123 0.000 1.902 164 A HA -0.126 4.195 4.320 0.001 0.000 0.217 164 A C 2.493 179.969 177.584 -0.180 0.000 1.181 164 A CA 1.074 52.983 52.037 -0.213 0.000 0.623 164 A CB -0.529 18.328 19.000 -0.238 0.000 0.818 164 A HN 0.097 nan 8.150 nan 0.000 0.443 165 V N -1.191 118.642 119.914 -0.136 0.000 2.323 165 V HA -0.269 3.851 4.120 0.001 0.000 0.244 165 V C 2.630 178.691 176.094 -0.055 0.000 1.041 165 V CA 1.900 64.156 62.300 -0.073 0.000 1.025 165 V CB -1.014 30.824 31.823 0.025 0.000 0.656 165 V HN 0.691 nan 8.190 nan 0.000 0.451 166 C N -0.218 119.059 119.300 -0.037 0.000 2.413 166 C HA -0.145 4.315 4.460 0.001 0.000 0.277 166 C C 2.639 177.585 174.990 -0.074 0.000 1.265 166 C CA 0.962 59.954 59.018 -0.044 0.000 1.752 166 C CB -1.116 26.616 27.740 -0.014 0.000 1.998 166 C HN 0.514 nan 8.230 nan 0.000 0.489 167 L N 0.116 121.300 121.223 -0.065 0.000 2.217 167 L HA -0.002 4.339 4.340 0.001 0.000 0.211 167 L C 2.700 179.554 176.870 -0.027 0.000 1.107 167 L CA 1.542 56.372 54.840 -0.018 0.000 0.783 167 L CB -0.992 41.017 42.059 -0.082 0.000 0.919 167 L HN 0.509 nan 8.230 nan 0.000 0.442 168 G N 0.208 108.968 108.800 -0.066 0.000 2.394 168 G HA2 -0.163 3.797 3.960 0.001 0.000 0.215 168 G HA3 -0.163 3.797 3.960 0.001 0.000 0.215 168 G C 1.595 176.434 174.900 -0.101 0.000 1.165 168 G CA 0.269 45.329 45.100 -0.067 0.000 0.784 168 G HN 0.197 nan 8.290 nan 0.000 0.535 169 I N 0.306 120.810 120.570 -0.110 0.000 2.127 169 I HA -0.161 4.009 4.170 0.001 0.000 0.241 169 I C 2.765 178.759 176.117 -0.205 0.000 1.075 169 I CA 0.748 61.971 61.300 -0.128 0.000 1.334 169 I CB -0.205 37.734 38.000 -0.103 0.000 1.040 169 I HN 0.126 nan 8.210 nan 0.000 0.405 170 L N 0.335 121.377 121.223 -0.302 0.000 1.990 170 L HA -0.290 4.050 4.340 0.001 0.000 0.213 170 L C 2.817 179.371 176.870 -0.527 0.000 1.072 170 L CA 1.718 56.192 54.840 -0.610 0.000 0.755 170 L CB -0.729 40.674 42.059 -1.093 0.000 0.889 170 L HN 0.289 nan 8.230 nan 0.000 0.432 171 A N -0.048 122.623 122.820 -0.248 0.000 1.851 171 A HA -0.292 4.028 4.320 0.001 0.000 0.216 171 A C 2.070 179.414 177.584 -0.399 0.000 1.195 171 A CA 2.412 54.364 52.037 -0.141 0.000 0.622 171 A CB -0.837 18.203 19.000 0.067 0.000 0.831 171 A HN 0.464 nan 8.150 nan 0.000 0.444 172 N N -0.461 118.093 118.700 -0.244 0.000 2.381 172 N HA -0.034 4.706 4.740 0.001 0.000 0.182 172 N C 1.524 176.928 175.510 -0.177 0.000 1.025 172 N CA 0.834 53.768 53.050 -0.193 0.000 0.888 172 N CB -0.422 37.986 38.487 -0.133 0.000 0.965 172 N HN 0.530 nan 8.380 nan 0.000 0.438 173 L N -0.408 120.706 121.223 -0.183 0.000 2.017 173 L HA -0.163 4.177 4.340 0.001 0.000 0.208 173 L C 1.808 178.612 176.870 -0.110 0.000 1.073 173 L CA 1.082 55.836 54.840 -0.143 0.000 0.745 173 L CB -0.150 41.809 42.059 -0.167 0.000 0.894 173 L HN 0.163 nan 8.230 nan 0.000 0.432 174 M N -0.974 118.554 119.600 -0.120 0.000 2.086 174 M HA -0.157 4.323 4.480 0.001 0.000 0.261 174 M C 2.293 178.562 176.300 -0.051 0.000 1.067 174 M CA 1.411 56.697 55.300 -0.025 0.000 1.116 174 M CB -1.317 31.358 32.600 0.126 0.000 1.348 174 M HN 0.129 nan 8.290 nan 0.000 0.407 175 V N -0.316 119.471 119.914 -0.212 0.000 2.282 175 V HA -0.352 3.769 4.120 0.001 0.000 0.249 175 V C 2.620 178.690 176.094 -0.042 0.000 1.057 175 V CA 1.930 64.139 62.300 -0.152 0.000 1.032 175 V CB -1.133 30.568 31.823 -0.203 0.000 0.645 175 V HN 0.491 nan 8.190 nan 0.000 0.447 176 C N -0.740 118.536 119.300 -0.041 0.000 2.466 176 C HA 0.009 4.469 4.460 0.001 0.000 0.278 176 C C 2.663 177.693 174.990 0.067 0.000 1.288 176 C CA 0.487 59.512 59.018 0.011 0.000 1.722 176 C CB -0.997 26.733 27.740 -0.018 0.000 2.017 176 C HN 0.534 nan 8.230 nan 0.000 0.488 177 L N 1.054 122.300 121.223 0.038 0.000 2.081 177 L HA -0.229 4.112 4.340 0.001 0.000 0.212 177 L C 2.800 179.755 176.870 0.142 0.000 1.080 177 L CA 1.728 56.626 54.840 0.097 0.000 0.754 177 L CB -0.670 41.424 42.059 0.059 0.000 0.893 177 L HN 0.390 nan 8.230 nan 0.000 0.433 178 A N -0.550 122.320 122.820 0.083 0.000 1.832 178 A HA -0.155 4.165 4.320 0.001 0.000 0.214 178 A C 2.286 179.877 177.584 0.011 0.000 1.200 178 A CA 1.671 53.745 52.037 0.061 0.000 0.610 178 A CB -1.006 18.032 19.000 0.064 0.000 0.842 178 A HN 0.131 nan 8.150 nan 0.000 0.444 179 V N -0.838 119.063 119.914 -0.022 0.000 2.546 179 V HA -0.252 3.868 4.120 0.001 0.000 0.254 179 V C 2.157 178.058 176.094 -0.322 0.000 1.076 179 V CA 1.888 64.095 62.300 -0.156 0.000 1.087 179 V CB -0.689 31.076 31.823 -0.098 0.000 0.674 179 V HN 0.816 nan 8.190 nan 0.000 0.470 180 W N -0.388 120.757 121.300 -0.260 0.000 2.480 180 W HA -0.066 4.595 4.660 0.001 0.000 0.299 180 W C 2.188 178.654 176.519 -0.089 0.000 1.187 180 W CA 0.983 58.219 57.345 -0.181 0.000 1.347 180 W CB -0.149 29.303 29.460 -0.014 0.000 1.121 180 W HN 0.236 nan 8.180 nan 0.000 0.533 181 M N 0.935 120.551 119.600 0.027 0.000 2.446 181 M HA -0.193 4.288 4.480 0.001 0.000 0.263 181 M C 2.339 178.560 176.300 -0.131 0.000 1.066 181 M CA 1.749 57.017 55.300 -0.054 0.000 1.087 181 M CB -0.364 32.273 32.600 0.061 0.000 1.406 181 M HN -0.076 nan 8.290 nan 0.000 0.459 182 S N -0.370 115.219 115.700 -0.185 0.000 2.453 182 S HA -0.118 4.353 4.470 0.001 0.000 0.231 182 S C 1.537 176.052 174.600 -0.141 0.000 1.005 182 S CA 0.817 58.916 58.200 -0.169 0.000 0.949 182 S CB -0.192 62.886 63.200 -0.203 0.000 0.774 182 S HN 0.476 nan 8.310 nan 0.000 0.510 183 Y N 2.391 122.562 120.300 -0.216 0.000 2.571 183 Y HA 0.154 4.704 4.550 0.001 0.000 0.294 183 Y C 2.533 178.284 175.900 -0.248 0.000 1.141 183 Y CA 0.364 58.309 58.100 -0.259 0.000 1.308 183 Y CB -0.533 37.677 38.460 -0.417 0.000 1.002 183 Y HN 0.462 nan 8.280 nan 0.000 0.551 184 S N -1.528 114.109 115.700 -0.104 0.000 2.597 184 S HA 0.389 4.859 4.470 0.001 0.000 0.224 184 S C 0.928 175.503 174.600 -0.041 0.000 0.955 184 S CA -0.075 58.073 58.200 -0.085 0.000 0.933 184 S CB -0.070 63.065 63.200 -0.107 0.000 0.788 184 S HN 0.195 nan 8.310 nan 0.000 0.488 185 G N 0.793 109.579 108.800 -0.023 0.000 2.379 185 G HA2 0.545 4.505 3.960 0.001 0.000 0.327 185 G HA3 0.545 4.505 3.960 0.001 0.000 0.327 185 G C 0.418 175.316 174.900 -0.002 0.000 1.145 185 G CA -0.786 44.308 45.100 -0.010 0.000 0.905 185 G HN 0.053 nan 8.290 nan 0.000 0.466 186 R N 1.131 121.627 120.500 -0.007 0.000 2.072 186 R HA 0.169 4.510 4.340 0.001 0.000 0.214 186 R C 1.712 178.008 176.300 -0.006 0.000 1.168 186 R CA -0.040 56.056 56.100 -0.006 0.000 1.020 186 R CB -1.133 29.160 30.300 -0.011 0.000 0.914 186 R HN 0.527 nan 8.270 nan 0.000 0.449 187 S N 1.294 116.986 115.700 -0.014 0.000 2.542 187 S HA -0.089 4.381 4.470 0.001 0.000 0.287 187 S C 1.495 176.087 174.600 -0.013 0.000 1.315 187 S CA -0.332 57.855 58.200 -0.022 0.000 1.037 187 S CB 0.323 63.501 63.200 -0.037 0.000 0.822 187 S HN 0.153 nan 8.310 nan 0.000 0.513 188 L N 4.245 125.458 121.223 -0.016 0.000 2.017 188 L HA -0.022 4.319 4.340 0.001 0.000 0.208 188 L C 2.245 179.117 176.870 0.002 0.000 1.073 188 L CA 1.952 56.789 54.840 -0.004 0.000 0.745 188 L CB -1.017 41.038 42.059 -0.008 0.000 0.894 188 L HN 0.862 nan 8.230 nan 0.000 0.432 189 M N -0.252 119.318 119.600 -0.050 0.000 2.399 189 M HA -0.295 4.185 4.480 0.001 0.000 0.263 189 M C 1.851 178.141 176.300 -0.017 0.000 1.067 189 M CA 2.176 57.407 55.300 -0.115 0.000 1.084 189 M CB -0.807 31.658 32.600 -0.226 0.000 1.252 189 M HN 0.250 nan 8.290 nan 0.000 0.454 190 D N -0.240 120.144 120.400 -0.026 0.000 2.200 190 D HA -0.233 4.407 4.640 0.001 0.000 0.192 190 D C 1.991 178.314 176.300 0.037 0.000 1.008 190 D CA 1.694 55.699 54.000 0.007 0.000 0.872 190 D CB -0.312 40.485 40.800 -0.006 0.000 0.923 190 D HN 0.439 nan 8.370 nan 0.000 0.447 191 K N -0.434 119.986 120.400 0.033 0.000 2.116 191 K HA 0.100 4.420 4.320 0.001 0.000 0.203 191 K C 1.973 178.604 176.600 0.052 0.000 1.052 191 K CA 0.920 57.225 56.287 0.030 0.000 0.952 191 K CB 0.109 32.623 32.500 0.023 0.000 0.729 191 K HN 0.100 nan 8.250 nan 0.000 0.446 192 A N 0.528 123.411 122.820 0.104 0.000 1.862 192 A HA 0.029 4.349 4.320 0.001 0.000 0.211 192 A C 1.714 179.408 177.584 0.183 0.000 1.220 192 A CA 0.502 52.618 52.037 0.132 0.000 0.616 192 A CB -0.808 18.295 19.000 0.172 0.000 0.878 192 A HN 0.204 nan 8.150 nan 0.000 0.453 193 F N -0.519 119.427 119.950 -0.007 0.000 2.605 193 F HA -0.140 4.388 4.527 0.000 0.000 0.296 193 F C 1.834 177.638 175.800 0.007 0.000 1.146 193 F CA 0.606 58.607 58.000 0.002 0.000 1.478 193 F CB 0.012 39.013 39.000 0.002 0.000 1.107 193 F HN 0.288 nan 8.300 nan 0.000 0.600 194 I N -0.362 120.296 120.570 0.146 0.000 2.731 194 I HA -0.122 4.049 4.170 0.001 0.000 0.260 194 I C 1.899 178.049 176.117 0.055 0.000 1.138 194 I CA 1.267 62.620 61.300 0.088 0.000 1.461 194 I CB -0.134 37.903 38.000 0.062 0.000 1.128 194 I HN -0.011 nan 8.210 nan 0.000 0.438 195 M N -1.209 118.414 119.600 0.039 0.000 2.492 195 M HA -0.057 4.423 4.480 0.001 0.000 0.262 195 M C 2.045 178.363 176.300 0.030 0.000 1.090 195 M CA 0.530 55.851 55.300 0.035 0.000 1.110 195 M CB -0.158 32.454 32.600 0.019 0.000 1.407 195 M HN 0.069 nan 8.290 nan 0.000 0.470 196 V N 0.875 120.780 119.914 -0.014 0.000 2.255 196 V HA -0.287 3.834 4.120 0.001 0.000 0.247 196 V C 2.339 178.427 176.094 -0.011 0.000 1.051 196 V CA 1.744 64.012 62.300 -0.053 0.000 1.018 196 V CB -0.467 31.251 31.823 -0.175 0.000 0.641 196 V HN 0.334 nan 8.190 nan 0.000 0.445 197 L N 0.082 121.307 121.223 0.002 0.000 1.990 197 L HA -0.121 4.220 4.340 0.001 0.000 0.213 197 L C 0.067 176.976 176.870 0.064 0.000 1.072 197 L CA 2.636 57.491 54.840 0.025 0.000 0.755 197 L CB -2.122 39.958 42.059 0.035 0.000 0.889 197 L HN 0.328 nan 8.230 nan 0.000 0.432 198 P HA -0.077 nan 4.420 nan 0.000 0.218 198 P C 1.959 179.408 177.300 0.249 0.000 1.149 198 P CA 0.995 64.184 63.100 0.149 0.000 0.817 198 P CB 0.093 31.870 31.700 0.128 0.000 0.785 199 V N 0.230 120.283 119.914 0.230 0.000 2.346 199 V HA -0.108 4.012 4.120 0.001 0.000 0.244 199 V C 2.536 178.652 176.094 0.038 0.000 1.037 199 V CA 1.914 64.418 62.300 0.340 0.000 1.029 199 V CB -1.780 30.218 31.823 0.291 0.000 0.663 199 V HN 0.064 nan 8.190 nan 0.000 0.454 200 A N -0.162 122.657 122.820 -0.002 0.000 1.978 200 A HA -0.239 4.081 4.320 0.001 0.000 0.220 200 A C 2.244 179.752 177.584 -0.127 0.000 1.170 200 A CA 2.117 54.095 52.037 -0.099 0.000 0.636 200 A CB -0.530 18.430 19.000 -0.066 0.000 0.810 200 A HN 0.429 nan 8.150 nan 0.000 0.448 201 M N -0.270 119.322 119.600 -0.015 0.000 2.067 201 M HA -0.131 4.349 4.480 0.001 0.000 0.260 201 M C 2.141 178.452 176.300 0.019 0.000 1.069 201 M CA 2.375 57.689 55.300 0.024 0.000 1.117 201 M CB -0.735 31.941 32.600 0.128 0.000 1.334 201 M HN 0.625 nan 8.290 nan 0.000 0.407 202 F N -0.433 119.554 119.950 0.062 0.000 2.325 202 F HA 0.015 4.542 4.527 0.001 0.000 0.299 202 F C 1.673 177.408 175.800 -0.109 0.000 1.090 202 F CA 0.727 58.829 58.000 0.170 0.000 1.392 202 F CB -1.170 38.023 39.000 0.322 0.000 1.053 202 F HN -0.075 nan 8.300 nan 0.000 0.521 203 V N 0.889 120.157 119.914 -1.077 0.000 2.535 203 V HA -0.015 4.105 4.120 0.001 0.000 0.246 203 V C 2.721 178.461 176.094 -0.591 0.000 1.045 203 V CA 1.432 63.088 62.300 -1.073 0.000 1.058 203 V CB -0.720 30.319 31.823 -1.306 0.000 0.689 203 V HN 0.519 nan 8.190 nan 0.000 0.461 204 A N -1.434 121.132 122.820 -0.423 0.000 2.167 204 A HA -0.042 4.279 4.320 0.001 0.000 0.214 204 A C 2.257 179.644 177.584 -0.328 0.000 1.151 204 A CA 1.493 53.342 52.037 -0.313 0.000 0.735 204 A CB -0.182 18.675 19.000 -0.237 0.000 0.802 204 A HN 0.453 nan 8.150 nan 0.000 0.467 205 S N -1.922 113.513 115.700 -0.442 0.000 2.524 205 S HA 0.372 4.843 4.470 0.001 0.000 0.215 205 S C 1.327 175.590 174.600 -0.563 0.000 0.986 205 S CA 0.635 58.474 58.200 -0.601 0.000 0.911 205 S CB 0.298 62.826 63.200 -1.121 0.000 0.805 205 S HN 1.497 nan 8.310 nan 0.000 0.501 206 G N 1.619 110.194 108.800 -0.376 0.000 2.147 206 G HA2 -0.241 3.720 3.960 0.001 0.000 0.244 206 G HA3 -0.241 3.720 3.960 0.001 0.000 0.244 206 G C -0.103 174.822 174.900 0.041 0.000 1.005 206 G CA -0.325 44.708 45.100 -0.113 0.000 0.713 206 G HN 0.361 nan 8.290 nan 0.000 0.515 207 F N 1.267 121.287 119.950 0.117 0.000 2.518 207 F HA 0.396 4.923 4.527 0.001 0.000 0.359 207 F C 1.066 177.001 175.800 0.225 0.000 1.118 207 F CA -0.854 57.250 58.000 0.173 0.000 1.287 207 F CB 0.592 39.748 39.000 0.260 0.000 1.132 207 F HN 0.049 nan 8.300 nan 0.000 0.587 208 E N 2.058 122.456 120.200 0.330 0.000 2.216 208 E HA 0.120 4.471 4.350 0.001 0.000 0.279 208 E C -0.718 176.043 176.600 0.269 0.000 0.997 208 E CA -0.284 56.270 56.400 0.257 0.000 0.817 208 E CB 1.489 31.261 29.700 0.121 0.000 1.096 208 E HN 0.497 nan 8.360 nan 0.000 0.393 209 H N 1.901 121.107 119.070 0.227 0.000 2.727 209 H HA 0.092 4.648 4.556 0.001 0.000 0.330 209 H C 0.806 176.259 175.328 0.209 0.000 0.986 209 H CA -0.199 55.964 56.048 0.191 0.000 1.251 209 H CB 1.154 31.059 29.762 0.239 0.000 1.493 209 H HN 0.487 nan 8.280 nan 0.000 0.515 210 S N 4.652 120.296 115.700 -0.094 0.000 2.374 210 S HA -0.168 4.302 4.470 0.001 0.000 0.227 210 S C 1.824 176.536 174.600 0.186 0.000 1.037 210 S CA 1.083 59.313 58.200 0.050 0.000 1.024 210 S CB -0.014 63.162 63.200 -0.041 0.000 0.861 210 S HN 0.571 nan 8.310 nan 0.000 0.456 211 I N 2.600 123.325 120.570 0.259 0.000 2.500 211 I HA 0.133 4.303 4.170 0.001 0.000 0.252 211 I C 2.906 179.269 176.117 0.409 0.000 1.142 211 I CA 0.641 62.120 61.300 0.299 0.000 1.451 211 I CB -2.065 36.122 38.000 0.312 0.000 1.093 211 I HN 0.395 nan 8.210 nan 0.000 0.430 212 A N 1.567 124.724 122.820 0.562 0.000 1.969 212 A HA -0.181 4.140 4.320 0.001 0.000 0.218 212 A C 2.016 180.018 177.584 0.698 0.000 1.169 212 A CA 1.582 53.937 52.037 0.529 0.000 0.635 212 A CB -0.620 18.563 19.000 0.306 0.000 0.810 212 A HN 0.412 nan 8.150 nan 0.000 0.445 213 N N -0.096 118.925 118.700 0.535 0.000 2.216 213 N HA -0.062 4.678 4.740 0.001 0.000 0.183 213 N C 1.506 177.181 175.510 0.275 0.000 1.017 213 N CA 1.377 54.670 53.050 0.404 0.000 0.861 213 N CB -0.563 38.163 38.487 0.399 0.000 0.986 213 N HN 0.515 nan 8.380 nan 0.000 0.428 214 M N -0.672 119.145 119.600 0.361 0.000 2.426 214 M HA -0.138 4.342 4.480 0.001 0.000 0.261 214 M C 1.390 177.810 176.300 0.199 0.000 1.068 214 M CA 1.242 56.728 55.300 0.310 0.000 1.066 214 M CB -0.183 32.553 32.600 0.227 0.000 1.399 214 M HN 0.135 nan 8.290 nan 0.000 0.449 215 F N -0.250 119.783 119.950 0.138 0.000 2.399 215 F HA 0.016 4.543 4.527 0.001 0.000 0.282 215 F C 2.111 177.907 175.800 -0.006 0.000 1.027 215 F CA 0.536 58.611 58.000 0.126 0.000 1.333 215 F CB -0.211 38.962 39.000 0.288 0.000 1.132 215 F HN -0.046 nan 8.300 nan 0.000 0.590 216 M N 1.385 121.004 119.600 0.032 0.000 2.073 216 M HA -0.181 4.299 4.480 0.001 0.000 0.258 216 M C 1.871 177.895 176.300 -0.460 0.000 1.070 216 M CA 1.983 57.065 55.300 -0.363 0.000 1.103 216 M CB -0.971 31.320 32.600 -0.515 0.000 1.321 216 M HN 0.336 nan 8.290 nan 0.000 0.405 217 I N -0.580 119.725 120.570 -0.442 0.000 2.233 217 I HA -0.167 4.004 4.170 0.001 0.000 0.243 217 I C -0.637 175.107 176.117 -0.623 0.000 1.093 217 I CA 1.038 62.000 61.300 -0.563 0.000 1.380 217 I CB -1.860 35.689 38.000 -0.753 0.000 1.067 217 I HN 0.204 nan 8.210 nan 0.000 0.413 218 P HA -0.163 nan 4.420 nan 0.000 0.220 218 P C 1.695 178.726 177.300 -0.448 0.000 1.148 218 P CA 1.218 64.028 63.100 -0.483 0.000 0.803 218 P CB -0.007 31.479 31.700 -0.355 0.000 0.782 219 M N -0.114 119.142 119.600 -0.573 0.000 2.132 219 M HA 0.012 4.492 4.480 0.001 0.000 0.263 219 M C 1.948 177.974 176.300 -0.457 0.000 1.065 219 M CA 1.939 56.880 55.300 -0.597 0.000 1.122 219 M CB -1.707 30.344 32.600 -0.915 0.000 1.365 219 M HN -0.112 nan 8.290 nan 0.000 0.411 220 G N 0.084 108.634 108.800 -0.417 0.000 2.418 220 G HA2 -0.167 3.794 3.960 0.001 0.000 0.217 220 G HA3 -0.167 3.794 3.960 0.001 0.000 0.217 220 G C 1.585 176.330 174.900 -0.259 0.000 1.158 220 G CA 1.184 46.089 45.100 -0.325 0.000 0.771 220 G HN 0.541 nan 8.290 nan 0.000 0.545 221 I N 0.383 120.800 120.570 -0.255 0.000 2.179 221 I HA -0.160 4.011 4.170 0.001 0.000 0.242 221 I C 2.788 178.796 176.117 -0.183 0.000 1.088 221 I CA 0.506 61.708 61.300 -0.164 0.000 1.357 221 I CB -0.404 37.510 38.000 -0.144 0.000 1.051 221 I HN 0.020 nan 8.210 nan 0.000 0.409 222 V N 1.329 121.045 119.914 -0.330 0.000 2.282 222 V HA -0.311 3.809 4.120 0.001 0.000 0.249 222 V C 2.347 178.058 176.094 -0.639 0.000 1.057 222 V CA 2.022 64.014 62.300 -0.513 0.000 1.032 222 V CB -0.452 30.847 31.823 -0.872 0.000 0.645 222 V HN 0.340 nan 8.190 nan 0.000 0.447 223 I N -0.550 119.630 120.570 -0.650 0.000 2.179 223 I HA -0.228 3.942 4.170 0.001 0.000 0.242 223 I C 2.789 178.842 176.117 -0.107 0.000 1.088 223 I CA 1.629 62.622 61.300 -0.512 0.000 1.357 223 I CB -0.468 37.335 38.000 -0.329 0.000 1.051 223 I HN 0.233 nan 8.210 nan 0.000 0.409 224 R N 0.828 121.355 120.500 0.045 0.000 2.115 224 R HA -0.181 4.160 4.340 0.001 0.000 0.230 224 R C 1.096 177.611 176.300 0.357 0.000 1.111 224 R CA 1.738 58.071 56.100 0.387 0.000 0.976 224 R CB -0.108 30.365 30.300 0.288 0.000 0.870 224 R HN 0.317 nan 8.270 nan 0.000 0.445 225 D N -1.538 118.942 120.400 0.133 0.000 2.367 225 D HA 0.035 4.675 4.640 0.001 0.000 0.207 225 D C 0.374 176.603 176.300 -0.119 0.000 1.034 225 D CA 0.601 54.609 54.000 0.012 0.000 0.861 225 D CB 0.322 41.092 40.800 -0.050 0.000 0.943 225 D HN 0.175 nan 8.370 nan 0.000 0.515 226 F N 0.119 120.086 119.950 0.029 0.000 2.871 226 F HA 0.387 4.914 4.527 0.001 0.000 0.344 226 F C 0.747 176.680 175.800 0.222 0.000 1.078 226 F CA -0.461 57.584 58.000 0.074 0.000 1.149 226 F CB 0.417 39.373 39.000 -0.074 0.000 1.087 226 F HN -0.249 nan 8.300 nan 0.000 0.557 227 A N 1.119 124.158 122.820 0.366 0.000 2.531 227 A HA 0.366 4.687 4.320 0.001 0.000 0.236 227 A C 0.727 178.579 177.584 0.446 0.000 1.062 227 A CA 0.162 52.417 52.037 0.364 0.000 0.760 227 A CB -0.222 18.715 19.000 -0.106 0.000 0.995 227 A HN 0.327 nan 8.150 nan 0.000 0.501 228 S N 2.708 118.680 115.700 0.455 0.000 2.572 228 S HA 0.240 4.711 4.470 0.001 0.000 0.279 228 S C -1.897 172.950 174.600 0.411 0.000 1.341 228 S CA -0.620 57.807 58.200 0.378 0.000 1.043 228 S CB 0.383 63.765 63.200 0.303 0.000 0.887 228 S HN 0.499 nan 8.310 nan 0.000 0.516 229 P HA -0.126 nan 4.420 nan 0.000 0.217 229 P C 0.924 178.400 177.300 0.293 0.000 1.148 229 P CA 1.289 64.624 63.100 0.393 0.000 0.828 229 P CB -0.010 31.835 31.700 0.241 0.000 0.783 230 E N -1.534 118.793 120.200 0.211 0.000 2.106 230 E HA -0.160 4.190 4.350 0.001 0.000 0.192 230 E C 1.702 178.360 176.600 0.097 0.000 0.984 230 E CA 0.821 57.299 56.400 0.130 0.000 0.806 230 E CB -1.096 28.663 29.700 0.098 0.000 0.750 230 E HN 0.287 nan 8.360 nan 0.000 0.458 231 F N -0.381 119.539 119.950 -0.050 0.000 2.075 231 F HA -0.152 4.375 4.527 0.001 0.000 0.297 231 F C 1.582 177.318 175.800 -0.107 0.000 1.113 231 F CA 1.440 59.311 58.000 -0.215 0.000 1.218 231 F CB -0.542 38.198 39.000 -0.433 0.000 0.984 231 F HN 0.023 nan 8.300 nan 0.000 0.472 232 W N 0.613 121.867 121.300 -0.077 0.000 2.350 232 W HA -0.172 4.489 4.660 0.001 0.000 0.289 232 W C 2.441 178.851 176.519 -0.182 0.000 1.215 232 W CA 1.426 58.664 57.345 -0.179 0.000 1.236 232 W CB -0.710 28.791 29.460 0.068 0.000 1.130 232 W HN -0.065 nan 8.180 nan 0.000 0.541 233 T N -0.508 114.110 114.554 0.105 0.000 2.942 233 T HA -0.021 4.330 4.350 0.001 0.000 0.265 233 T C 1.969 176.648 174.700 -0.035 0.000 1.062 233 T CA 1.280 63.405 62.100 0.043 0.000 1.139 233 T CB -0.432 68.473 68.868 0.061 0.000 0.883 233 T HN 0.171 nan 8.240 nan 0.000 0.468 234 A N 1.446 124.206 122.820 -0.100 0.000 1.968 234 A HA 0.024 4.344 4.320 0.001 0.000 0.217 234 A C 2.516 180.009 177.584 -0.150 0.000 1.169 234 A CA 1.484 53.453 52.037 -0.113 0.000 0.638 234 A CB -0.649 18.287 19.000 -0.106 0.000 0.812 234 A HN 0.456 nan 8.150 nan 0.000 0.446 235 V N -3.809 115.938 119.914 -0.278 0.000 2.825 235 V HA 0.481 4.602 4.120 0.001 0.000 0.246 235 V C 1.411 177.452 176.094 -0.088 0.000 1.068 235 V CA 0.573 62.744 62.300 -0.216 0.000 1.088 235 V CB -1.232 30.361 31.823 -0.382 0.000 0.733 235 V HN 1.553 nan 8.190 nan 0.000 0.468 236 G N 0.006 108.770 108.800 -0.061 0.000 2.520 236 G HA2 -0.051 3.909 3.960 0.001 0.000 0.264 236 G HA3 -0.051 3.909 3.960 0.001 0.000 0.264 236 G C -0.144 174.776 174.900 0.035 0.000 1.140 236 G CA 0.487 45.586 45.100 -0.002 0.000 1.012 236 G HN 1.122 nan 8.290 nan 0.000 0.511 237 S N -1.306 114.463 115.700 0.113 0.000 2.752 237 S HA 1.022 5.492 4.470 0.001 0.000 0.284 237 S C -0.404 174.187 174.600 -0.014 0.000 1.189 237 S CA 0.576 58.827 58.200 0.085 0.000 0.835 237 S CB 1.569 64.879 63.200 0.183 0.000 1.192 237 S HN 2.124 nan 8.310 nan 0.000 0.506 238 A N 1.092 123.699 122.820 -0.355 0.000 2.498 238 A HA 0.794 5.114 4.320 0.001 0.000 0.298 238 A C -2.604 174.372 177.584 -1.013 0.000 1.075 238 A CA -1.563 49.999 52.037 -0.791 0.000 0.714 238 A CB 1.059 19.785 19.000 -0.456 0.000 1.299 238 A HN 0.487 nan 8.150 nan 0.000 0.407 239 P HA -0.164 nan 4.420 nan 0.000 0.216 239 P C 0.843 177.984 177.300 -0.265 0.000 1.150 239 P CA 1.576 64.364 63.100 -0.520 0.000 0.843 239 P CB 0.267 31.769 31.700 -0.330 0.000 0.787 240 E N -0.640 119.372 120.200 -0.312 0.000 2.147 240 E HA -0.216 4.134 4.350 0.001 0.000 0.199 240 E C 1.761 178.242 176.600 -0.199 0.000 1.005 240 E CA 1.323 57.597 56.400 -0.210 0.000 0.810 240 E CB -0.922 28.655 29.700 -0.204 0.000 0.736 240 E HN 0.315 nan 8.360 nan 0.000 0.460 241 N N -0.399 118.108 118.700 -0.322 0.000 2.188 241 N HA -0.099 4.642 4.740 0.001 0.000 0.184 241 N C 0.301 175.623 175.510 -0.314 0.000 1.018 241 N CA 0.795 53.609 53.050 -0.393 0.000 0.858 241 N CB -0.126 37.984 38.487 -0.629 0.000 0.989 241 N HN 0.173 nan 8.380 nan 0.000 0.426 242 F N 1.055 121.045 119.950 0.067 0.000 2.974 242 F HA 0.239 4.766 4.527 0.001 0.000 0.292 242 F C 1.471 177.324 175.800 0.088 0.000 1.209 242 F CA -0.818 57.260 58.000 0.130 0.000 1.366 242 F CB -0.695 38.413 39.000 0.179 0.000 1.033 242 F HN -0.073 nan 8.300 nan 0.000 0.516 243 S N -1.900 113.880 115.700 0.134 0.000 2.493 243 S HA -0.207 4.263 4.470 0.001 0.000 0.243 243 S C 1.571 176.150 174.600 -0.035 0.000 0.991 243 S CA 1.103 59.305 58.200 0.003 0.000 0.957 243 S CB -0.649 62.490 63.200 -0.101 0.000 0.756 243 S HN 0.495 nan 8.310 nan 0.000 0.521 244 H N 0.643 119.790 119.070 0.129 0.000 2.551 244 H HA 0.292 4.849 4.556 0.001 0.000 0.266 244 H C 0.517 175.864 175.328 0.032 0.000 0.964 244 H CA 0.287 56.379 56.048 0.074 0.000 1.180 244 H CB 0.048 29.847 29.762 0.063 0.000 1.408 244 H HN 0.404 nan 8.280 nan 0.000 0.563 245 L N 3.150 124.462 121.223 0.148 0.000 2.672 245 L HA 0.041 4.382 4.340 0.001 0.000 0.238 245 L C 0.562 177.464 176.870 0.054 0.000 1.392 245 L CA -0.252 54.630 54.840 0.070 0.000 1.238 245 L CB -0.590 41.493 42.059 0.039 0.000 1.548 245 L HN 0.113 nan 8.230 nan 0.000 0.423 246 T N -4.522 110.072 114.554 0.067 0.000 2.934 246 T HA 0.319 4.670 4.350 0.001 0.000 0.283 246 T C 1.344 176.106 174.700 0.103 0.000 1.005 246 T CA -0.878 61.260 62.100 0.063 0.000 1.041 246 T CB 2.482 71.379 68.868 0.048 0.000 1.042 246 T HN -0.080 nan 8.240 nan 0.000 0.505 247 V N 1.233 121.210 119.914 0.106 0.000 2.307 247 V HA -0.123 3.997 4.120 0.001 0.000 0.245 247 V C 2.700 178.881 176.094 0.144 0.000 1.045 247 V CA 1.897 64.299 62.300 0.169 0.000 1.024 247 V CB -0.861 31.044 31.823 0.137 0.000 0.651 247 V HN 0.936 nan 8.190 nan 0.000 0.449 248 M N 0.447 120.098 119.600 0.086 0.000 2.202 248 M HA -0.193 4.287 4.480 0.001 0.000 0.262 248 M C 1.817 178.154 176.300 0.061 0.000 1.063 248 M CA 1.803 57.136 55.300 0.056 0.000 1.097 248 M CB -0.433 32.194 32.600 0.045 0.000 1.382 248 M HN 0.370 nan 8.290 nan 0.000 0.413 249 N N -0.264 118.492 118.700 0.093 0.000 2.062 249 N HA -0.146 4.594 4.740 0.001 0.000 0.191 249 N C 1.416 177.004 175.510 0.131 0.000 1.042 249 N CA 1.459 54.572 53.050 0.104 0.000 0.845 249 N CB -0.829 37.729 38.487 0.119 0.000 1.024 249 N HN 0.385 nan 8.380 nan 0.000 0.424 250 F N 1.971 121.922 119.950 0.001 0.000 2.048 250 F HA -0.244 4.284 4.527 0.001 0.000 0.296 250 F C 1.933 177.736 175.800 0.005 0.000 1.109 250 F CA 1.438 59.434 58.000 -0.006 0.000 1.214 250 F CB -0.907 38.089 39.000 -0.007 0.000 0.963 250 F HN 0.017 nan 8.300 nan 0.000 0.491 251 I N 0.015 120.423 120.570 -0.269 0.000 2.110 251 I HA -0.313 3.857 4.170 0.001 0.000 0.236 251 I C 2.514 178.533 176.117 -0.163 0.000 1.068 251 I CA 2.117 63.187 61.300 -0.385 0.000 1.333 251 I CB -1.031 36.817 38.000 -0.254 0.000 1.054 251 I HN 0.347 nan 8.210 nan 0.000 0.402 252 T N -2.482 112.041 114.554 -0.051 0.000 2.951 252 T HA -0.091 4.259 4.350 0.001 0.000 0.268 252 T C 1.267 175.980 174.700 0.023 0.000 1.073 252 T CA 1.162 63.270 62.100 0.013 0.000 1.134 252 T CB -0.241 68.657 68.868 0.051 0.000 0.884 252 T HN 0.217 nan 8.240 nan 0.000 0.479 253 D N 0.349 120.753 120.400 0.008 0.000 2.392 253 D HA 0.130 4.770 4.640 0.001 0.000 0.206 253 D C 1.720 177.999 176.300 -0.035 0.000 1.046 253 D CA 0.309 54.312 54.000 0.007 0.000 0.865 253 D CB 0.107 40.925 40.800 0.030 0.000 0.969 253 D HN 0.623 nan 8.370 nan 0.000 0.509 254 N N -0.246 118.437 118.700 -0.029 0.000 2.979 254 N HA -0.067 4.673 4.740 0.001 0.000 0.247 254 N C 1.635 177.100 175.510 -0.075 0.000 1.012 254 N CA -0.237 52.807 53.050 -0.009 0.000 1.061 254 N CB -0.063 38.505 38.487 0.136 0.000 1.677 254 N HN -0.151 nan 8.380 nan 0.000 0.558 255 L N 2.273 123.427 121.223 -0.115 0.000 2.013 255 L HA -0.026 4.314 4.340 0.001 0.000 0.212 255 L C 2.134 178.922 176.870 -0.137 0.000 1.073 255 L CA 1.506 56.245 54.840 -0.168 0.000 0.753 255 L CB -0.512 41.267 42.059 -0.466 0.000 0.890 255 L HN 0.329 nan 8.230 nan 0.000 0.432 256 I N -0.823 119.658 120.570 -0.147 0.000 2.163 256 I HA -0.174 3.996 4.170 0.001 0.000 0.240 256 I C -0.459 175.558 176.117 -0.167 0.000 1.081 256 I CA 1.214 62.456 61.300 -0.097 0.000 1.353 256 I CB -1.327 36.673 38.000 -0.000 0.000 1.054 256 I HN 0.230 nan 8.210 nan 0.000 0.407 257 P HA -0.138 nan 4.420 nan 0.000 0.216 257 P C 2.012 179.130 177.300 -0.304 0.000 1.153 257 P CA 1.156 63.825 63.100 -0.719 0.000 0.848 257 P CB 0.049 30.971 31.700 -1.297 0.000 0.787 258 V N -0.769 119.014 119.914 -0.218 0.000 2.548 258 V HA -0.190 3.931 4.120 0.001 0.000 0.249 258 V C 2.153 178.194 176.094 -0.088 0.000 1.055 258 V CA 2.447 64.675 62.300 -0.120 0.000 1.065 258 V CB -1.342 30.449 31.823 -0.054 0.000 0.681 258 V HN 0.158 nan 8.190 nan 0.000 0.462 259 T N 0.317 114.820 114.554 -0.085 0.000 2.708 259 T HA -0.130 4.220 4.350 0.001 0.000 0.266 259 T C 1.758 176.433 174.700 -0.042 0.000 1.037 259 T CA 1.992 64.048 62.100 -0.073 0.000 1.146 259 T CB -0.262 68.535 68.868 -0.118 0.000 0.865 259 T HN 0.400 nan 8.240 nan 0.000 0.435 260 I N 1.094 121.644 120.570 -0.034 0.000 2.151 260 I HA -0.202 3.968 4.170 0.001 0.000 0.243 260 I C 2.802 178.920 176.117 0.003 0.000 1.080 260 I CA 1.501 62.808 61.300 0.012 0.000 1.339 260 I CB -0.632 37.410 38.000 0.071 0.000 1.039 260 I HN 0.333 nan 8.210 nan 0.000 0.409 261 G N 0.234 109.018 108.800 -0.027 0.000 2.418 261 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 261 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 261 G C 1.355 176.223 174.900 -0.054 0.000 1.158 261 G CA 1.078 46.155 45.100 -0.038 0.000 0.771 261 G HN 0.471 nan 8.290 nan 0.000 0.545 262 N N 0.099 118.760 118.700 -0.065 0.000 2.149 262 N HA -0.071 4.670 4.740 0.001 0.000 0.188 262 N C 2.109 177.562 175.510 -0.096 0.000 1.019 262 N CA 0.807 53.804 53.050 -0.088 0.000 0.857 262 N CB -0.132 38.305 38.487 -0.083 0.000 0.997 262 N HN 0.304 nan 8.380 nan 0.000 0.426 263 I N 0.851 121.387 120.570 -0.057 0.000 2.439 263 I HA -0.159 4.011 4.170 0.001 0.000 0.251 263 I C 1.842 177.969 176.117 0.017 0.000 1.139 263 I CA 0.738 62.005 61.300 -0.055 0.000 1.438 263 I CB -0.034 37.984 38.000 0.030 0.000 1.085 263 I HN 0.110 nan 8.210 nan 0.000 0.427 264 I N 0.600 121.177 120.570 0.013 0.000 2.361 264 I HA -0.209 3.961 4.170 0.001 0.000 0.251 264 I C 2.395 178.508 176.117 -0.005 0.000 1.133 264 I CA 1.476 62.787 61.300 0.018 0.000 1.413 264 I CB -0.644 37.360 38.000 0.007 0.000 1.073 264 I HN 0.247 nan 8.210 nan 0.000 0.424 265 G N -0.127 108.647 108.800 -0.043 0.000 2.744 265 G HA2 0.016 3.976 3.960 0.001 0.000 0.211 265 G HA3 0.016 3.976 3.960 0.001 0.000 0.211 265 G C 1.477 176.342 174.900 -0.058 0.000 1.143 265 G CA 0.642 45.702 45.100 -0.068 0.000 0.788 265 G HN 0.501 nan 8.290 nan 0.000 0.534 266 G N 0.483 109.263 108.800 -0.033 0.000 2.645 266 G HA2 0.219 4.180 3.960 0.001 0.000 0.207 266 G HA3 0.219 4.180 3.960 0.001 0.000 0.207 266 G C 1.699 176.668 174.900 0.116 0.000 1.145 266 G CA 0.934 46.053 45.100 0.031 0.000 0.831 266 G HN 0.350 nan 8.290 nan 0.000 0.563 267 G N 0.997 109.888 108.800 0.151 0.000 2.462 267 G HA2 -0.175 3.785 3.960 0.001 0.000 0.220 267 G HA3 -0.175 3.785 3.960 0.001 0.000 0.220 267 G C 1.737 176.703 174.900 0.110 0.000 1.121 267 G CA 0.895 46.089 45.100 0.156 0.000 0.758 267 G HN 0.370 nan 8.290 nan 0.000 0.559 268 L N -0.161 121.100 121.223 0.064 0.000 1.976 268 L HA 0.030 4.370 4.340 0.001 0.000 0.209 268 L C 2.744 179.628 176.870 0.023 0.000 1.071 268 L CA 0.921 55.782 54.840 0.035 0.000 0.746 268 L CB -0.159 41.893 42.059 -0.012 0.000 0.890 268 L HN 0.087 nan 8.230 nan 0.000 0.432 269 L N -0.968 120.249 121.223 -0.009 0.000 2.131 269 L HA -0.179 4.161 4.340 0.001 0.000 0.210 269 L C 2.525 179.395 176.870 0.000 0.000 1.092 269 L CA 1.148 55.956 54.840 -0.054 0.000 0.759 269 L CB -0.882 41.105 42.059 -0.121 0.000 0.903 269 L HN 0.186 nan 8.230 nan 0.000 0.435 270 V N 0.402 120.353 119.914 0.061 0.000 2.220 270 V HA -0.304 3.817 4.120 0.001 0.000 0.250 270 V C 2.724 178.934 176.094 0.192 0.000 1.056 270 V CA 2.115 64.478 62.300 0.105 0.000 1.016 270 V CB -1.570 30.323 31.823 0.116 0.000 0.639 270 V HN 0.552 nan 8.190 nan 0.000 0.446 271 G N 0.173 109.112 108.800 0.232 0.000 2.649 271 G HA2 -0.313 3.648 3.960 0.001 0.000 0.220 271 G HA3 -0.313 3.648 3.960 0.001 0.000 0.220 271 G C 1.435 176.718 174.900 0.639 0.000 1.189 271 G CA 1.760 47.127 45.100 0.444 0.000 0.777 271 G HN 0.391 nan 8.290 nan 0.000 0.602 272 L N 0.346 121.732 121.223 0.272 0.000 1.970 272 L HA -0.052 4.288 4.340 0.001 0.000 0.212 272 L C 3.156 180.155 176.870 0.215 0.000 1.071 272 L CA 2.237 57.172 54.840 0.158 0.000 0.751 272 L CB -1.423 40.609 42.059 -0.045 0.000 0.889 272 L HN 0.198 nan 8.230 nan 0.000 0.432 273 T N -1.502 113.123 114.554 0.119 0.000 2.635 273 T HA -0.314 4.036 4.350 0.001 0.000 0.267 273 T C 1.759 176.580 174.700 0.202 0.000 1.040 273 T CA 2.010 64.171 62.100 0.103 0.000 1.156 273 T CB -0.456 68.446 68.868 0.058 0.000 0.863 273 T HN 0.450 nan 8.240 nan 0.000 0.430 274 Y N 0.441 120.830 120.300 0.148 0.000 2.040 274 Y HA -0.307 4.243 4.550 0.001 0.000 0.275 274 Y C 1.953 177.970 175.900 0.196 0.000 1.171 274 Y CA 1.759 59.914 58.100 0.092 0.000 1.123 274 Y CB -0.851 37.570 38.460 -0.065 0.000 0.963 274 Y HN 0.315 nan 8.280 nan 0.000 0.493 275 W N 0.077 121.245 121.300 -0.219 0.000 2.304 275 W HA -0.224 4.437 4.660 0.001 0.000 0.328 275 W C 2.677 179.117 176.519 -0.132 0.000 1.242 275 W CA 2.101 59.290 57.345 -0.259 0.000 1.243 275 W CB -1.491 27.956 29.460 -0.023 0.000 1.170 275 W HN -0.067 nan 8.180 nan 0.000 0.460 276 V N 0.110 120.153 119.914 0.215 0.000 2.261 276 V HA -0.220 3.900 4.120 0.001 0.000 0.246 276 V C 1.682 177.791 176.094 0.025 0.000 1.047 276 V CA 1.703 64.056 62.300 0.089 0.000 1.015 276 V CB -0.638 31.225 31.823 0.067 0.000 0.642 276 V HN 0.123 nan 8.190 nan 0.000 0.446 277 I N -1.208 119.392 120.570 0.050 0.000 3.884 277 I HA 0.052 4.223 4.170 0.001 0.000 0.330 277 I C 1.283 177.430 176.117 0.049 0.000 1.451 277 I CA 0.178 61.502 61.300 0.040 0.000 1.165 277 I CB 0.304 38.351 38.000 0.079 0.000 1.097 277 I HN 0.494 nan 8.210 nan 0.000 0.404 278 Y N -0.648 119.591 120.300 -0.102 0.000 2.539 278 Y HA 0.203 4.754 4.550 0.001 0.000 0.284 278 Y C 1.650 177.475 175.900 -0.125 0.000 1.134 278 Y CA 0.637 58.656 58.100 -0.135 0.000 1.251 278 Y CB -0.115 38.190 38.460 -0.260 0.000 1.260 278 Y HN -0.035 nan 8.280 nan 0.000 0.528 279 L N 1.252 121.957 121.223 -0.864 0.000 1.956 279 L HA -0.134 4.206 4.340 0.001 0.000 0.216 279 L C 1.758 178.330 176.870 -0.497 0.000 1.073 279 L CA 2.487 56.819 54.840 -0.847 0.000 0.762 279 L CB -1.162 40.729 42.059 -0.281 0.000 0.889 279 L HN 0.556 nan 8.230 nan 0.000 0.433 280 R N 0.000 120.344 120.500 -0.260 0.000 2.786 280 R HA 0.000 4.340 4.340 0.001 0.000 0.208 280 R CA 0.000 56.007 56.100 -0.156 0.000 0.921 280 R CB 0.000 30.206 30.300 -0.157 0.000 0.687 280 R HN 0.000 nan 8.270 nan 0.000 0.535