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 2ozk_1_D DATA FIRST_RESID 29 DATA SEQUENCE NAVYTKVDGI DVEIFENKTT LPVNVAFELW AKRNIKPVPE IKILNNLGVD DATA SEQUENCE IAANTVIWDY KREAPAHVST IGVCTMTDIA KKPTESACSS LTVLFDGRVE DATA SEQUENCE GQVDLFRNAR NGVLITEGSV KGLTPSKGPA QASVNGVTLI GESVKTQFNY DATA SEQUENCE FKKVDGIIQQ LPETYFTQSR DLEDFKPRSQ METDFLELAM DEFIQRYKLE DATA SEQUENCE GYAFEHIVYG DFSXXXXGGL HLMIGLAKRS QDSPLKLEDF IPMDSTVKNY DATA SEQUENCE FITDXXXXSS KCVCSVIDLL LDDFVEIIKS QDLSVISKVV KVTIDYAEIS DATA SEQUENCE FMLW 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 N HA 0.000 nan 4.740 nan 0.000 0.220 29 N C 0.000 175.523 175.510 0.022 0.000 1.280 29 N CA 0.000 53.068 53.050 0.030 0.000 0.885 29 N CB 0.000 38.502 38.487 0.025 0.000 1.341 30 A N 0.551 123.369 122.820 -0.003 0.000 2.466 30 A HA 0.402 4.722 4.320 -0.000 0.000 0.238 30 A C 0.468 178.077 177.584 0.042 0.000 1.074 30 A CA -0.256 51.737 52.037 -0.072 0.000 0.774 30 A CB -0.219 18.627 19.000 -0.256 0.000 1.015 30 A HN 0.477 nan 8.150 nan 0.000 0.498 31 V N 0.041 119.958 119.914 0.006 0.000 3.003 31 V HA 0.712 4.832 4.120 -0.000 0.000 0.305 31 V C -0.342 175.820 176.094 0.112 0.000 1.078 31 V CA -0.311 62.025 62.300 0.060 0.000 1.083 31 V CB 0.112 31.910 31.823 -0.042 0.000 1.039 31 V HN 1.106 nan 8.190 nan 0.000 0.481 32 Y N -0.568 119.692 120.300 -0.066 0.000 2.625 32 Y HA 0.812 5.362 4.550 -0.000 0.000 0.338 32 Y C -0.237 175.646 175.900 -0.029 0.000 1.123 32 Y CA -0.707 57.360 58.100 -0.055 0.000 1.046 32 Y CB 1.489 39.926 38.460 -0.038 0.000 1.299 32 Y HN 0.774 nan 8.280 nan 0.000 0.464 33 T N 0.457 115.053 114.554 0.071 0.000 2.919 33 T HA 0.556 4.906 4.350 -0.000 0.000 0.282 33 T C -1.352 173.411 174.700 0.105 0.000 1.020 33 T CA -0.958 61.148 62.100 0.010 0.000 0.994 33 T CB 1.027 69.901 68.868 0.009 0.000 1.180 33 T HN 0.667 nan 8.240 nan 0.000 0.566 34 K N 1.956 122.391 120.400 0.059 0.000 2.559 34 K HA 0.521 4.841 4.320 -0.000 0.000 0.249 34 K C -1.205 175.423 176.600 0.047 0.000 0.958 34 K CA -0.710 55.624 56.287 0.077 0.000 0.901 34 K CB 1.557 34.099 32.500 0.070 0.000 1.124 34 K HN 0.454 nan 8.250 nan 0.000 0.437 35 V N -0.357 119.585 119.914 0.048 0.000 2.334 35 V HA 0.324 4.444 4.120 -0.000 0.000 0.281 35 V C -0.209 175.903 176.094 0.031 0.000 1.016 35 V CA -0.823 61.497 62.300 0.034 0.000 0.832 35 V CB 1.162 33.004 31.823 0.031 0.000 0.999 35 V HN 0.762 nan 8.190 nan 0.000 0.439 36 D N 2.907 123.322 120.400 0.025 0.000 2.792 36 D HA -0.157 4.483 4.640 -0.000 0.000 0.231 36 D C 1.079 177.396 176.300 0.029 0.000 1.160 36 D CA 1.700 55.714 54.000 0.023 0.000 0.697 36 D CB -0.919 39.892 40.800 0.019 0.000 1.070 36 D HN 1.284 nan 8.370 nan 0.000 0.426 37 G N 0.681 109.503 108.800 0.038 0.000 2.287 37 G HA2 0.272 4.232 3.960 -0.000 0.000 0.235 37 G HA3 0.272 4.232 3.960 -0.000 0.000 0.235 37 G C 0.880 175.805 174.900 0.042 0.000 1.258 37 G CA 0.221 45.352 45.100 0.051 0.000 0.884 37 G HN 1.157 nan 8.290 nan 0.000 0.518 38 I N -1.565 119.027 120.570 0.036 0.000 7.658 38 I HA -0.212 3.958 4.170 -0.000 0.000 0.126 38 I C -1.273 174.880 176.117 0.060 0.000 1.662 38 I CA -0.185 61.135 61.300 0.034 0.000 2.297 38 I CB -0.945 37.070 38.000 0.025 0.000 3.355 38 I HN 0.364 nan 8.210 nan 0.000 0.241 39 D N 7.467 127.894 120.400 0.044 0.000 2.371 39 D HA 0.421 5.061 4.640 -0.000 0.000 0.256 39 D C 0.129 176.471 176.300 0.071 0.000 1.193 39 D CA -0.030 54.017 54.000 0.078 0.000 0.881 39 D CB 1.560 42.232 40.800 -0.213 0.000 1.143 39 D HN 0.420 nan 8.370 nan 0.000 0.473 40 V N 3.603 123.604 119.914 0.145 0.000 2.326 40 V HA 0.136 4.256 4.120 -0.000 0.000 0.281 40 V C 0.572 176.745 176.094 0.132 0.000 1.015 40 V CA -0.838 61.530 62.300 0.113 0.000 0.823 40 V CB 1.041 32.918 31.823 0.090 0.000 1.009 40 V HN 0.343 nan 8.190 nan 0.000 0.436 41 E N 5.046 125.313 120.200 0.113 0.000 2.371 41 E HA 0.547 4.897 4.350 -0.000 0.000 0.257 41 E C -0.556 176.003 176.600 -0.068 0.000 1.134 41 E CA -0.419 55.994 56.400 0.021 0.000 0.919 41 E CB 1.528 31.223 29.700 -0.008 0.000 1.025 41 E HN 0.690 nan 8.360 nan 0.000 0.438 42 I N -1.086 119.278 120.570 -0.344 0.000 2.533 42 I HA 0.406 4.576 4.170 -0.000 0.000 0.290 42 I C -0.872 174.940 176.117 -0.508 0.000 1.056 42 I CA -0.730 60.420 61.300 -0.250 0.000 1.057 42 I CB 0.881 38.827 38.000 -0.091 0.000 1.240 42 I HN 0.440 nan 8.210 nan 0.000 0.423 43 F N 2.516 122.455 119.950 -0.019 0.000 2.071 43 F HA 0.484 5.011 4.527 -0.000 0.000 0.206 43 F C 1.465 177.226 175.800 -0.065 0.000 1.258 43 F CA -0.023 57.949 58.000 -0.048 0.000 1.283 43 F CB 0.164 39.144 39.000 -0.034 0.000 1.834 43 F HN 0.428 nan 8.300 nan 0.000 0.216 44 E N -0.198 120.115 120.200 0.188 0.000 3.339 44 E HA 0.207 4.556 4.350 -0.000 0.000 0.226 44 E C 0.113 176.745 176.600 0.053 0.000 1.165 44 E CA 0.084 56.529 56.400 0.075 0.000 0.883 44 E CB -0.208 29.520 29.700 0.047 0.000 3.249 44 E HN 0.256 nan 8.360 nan 0.000 0.568 45 N N 0.927 119.647 118.700 0.033 0.000 2.214 45 N HA 0.064 4.804 4.740 -0.000 0.000 0.214 45 N C 1.024 176.533 175.510 -0.003 0.000 1.132 45 N CA -0.135 52.926 53.050 0.018 0.000 0.856 45 N CB 0.713 39.197 38.487 -0.003 0.000 1.020 45 N HN -0.015 nan 8.380 nan 0.000 0.509 46 K N 0.320 120.719 120.400 -0.001 0.000 2.127 46 K HA -0.204 4.116 4.320 -0.000 0.000 0.212 46 K C 2.000 178.575 176.600 -0.042 0.000 1.050 46 K CA 2.021 58.295 56.287 -0.021 0.000 0.929 46 K CB -0.515 31.978 32.500 -0.011 0.000 0.715 46 K HN 0.435 nan 8.250 nan 0.000 0.457 47 T N -5.080 109.456 114.554 -0.030 0.000 2.964 47 T HA 0.070 4.420 4.350 -0.000 0.000 0.249 47 T C 0.826 175.516 174.700 -0.017 0.000 1.000 47 T CA 1.040 63.117 62.100 -0.038 0.000 0.992 47 T CB 0.413 69.253 68.868 -0.046 0.000 1.087 47 T HN 0.146 nan 8.240 nan 0.000 0.489 48 T N 0.918 115.478 114.554 0.009 0.000 5.983 48 T HA -0.128 4.222 4.350 -0.000 0.000 0.274 48 T C 0.029 174.811 174.700 0.138 0.000 2.195 48 T CA 0.849 62.957 62.100 0.015 0.000 3.709 48 T CB -2.012 66.823 68.868 -0.054 0.000 0.873 48 T HN 0.516 nan 8.240 nan 0.000 1.045 49 L N 1.933 123.228 121.223 0.120 0.000 2.452 49 L HA 0.337 4.677 4.340 -0.000 0.000 0.267 49 L C -1.870 175.104 176.870 0.173 0.000 1.188 49 L CA -2.085 52.840 54.840 0.141 0.000 0.821 49 L CB 0.116 42.189 42.059 0.023 0.000 1.102 49 L HN -0.108 nan 8.230 nan 0.000 0.470 50 P HA -0.097 nan 4.420 nan 0.000 0.261 50 P C 0.867 177.979 177.300 -0.314 0.000 1.173 50 P CA 0.002 62.917 63.100 -0.309 0.000 0.760 50 P CB 0.384 31.954 31.700 -0.216 0.000 0.783 51 V N 2.805 122.479 119.914 -0.401 0.000 2.231 51 V HA -0.409 3.711 4.120 -0.000 0.000 0.250 51 V C 2.035 177.725 176.094 -0.674 0.000 1.058 51 V CA 2.320 64.229 62.300 -0.651 0.000 1.022 51 V CB -1.915 29.717 31.823 -0.317 0.000 0.640 51 V HN 0.713 nan 8.190 nan 0.000 0.445 52 N N 0.193 118.761 118.700 -0.220 0.000 1.643 52 N HA -0.388 4.352 4.740 -0.000 0.000 0.123 52 N C 1.689 177.176 175.510 -0.038 0.000 0.476 52 N CA 3.224 56.237 53.050 -0.061 0.000 0.796 52 N CB -0.389 38.046 38.487 -0.086 0.000 0.712 52 N HN 0.435 nan 8.380 nan 0.000 1.360 53 V N -0.043 119.814 119.914 -0.095 0.000 3.125 53 V HA 0.279 4.398 4.120 -0.000 0.000 0.249 53 V C 2.227 178.303 176.094 -0.030 0.000 1.113 53 V CA 1.290 63.575 62.300 -0.025 0.000 1.106 53 V CB -0.177 31.640 31.823 -0.009 0.000 0.768 53 V HN 0.544 nan 8.190 nan 0.000 0.468 54 A N -0.190 122.530 122.820 -0.166 0.000 2.076 54 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 54 A C 1.823 179.431 177.584 0.041 0.000 1.160 54 A CA 1.903 53.864 52.037 -0.126 0.000 0.653 54 A CB -0.603 18.215 19.000 -0.304 0.000 0.801 54 A HN 0.574 nan 8.150 nan 0.000 0.455 55 F N -0.585 119.438 119.950 0.121 0.000 2.270 55 F HA 0.073 4.600 4.527 -0.000 0.000 0.295 55 F C 2.144 178.044 175.800 0.166 0.000 1.087 55 F CA 0.594 58.682 58.000 0.146 0.000 1.365 55 F CB -0.940 38.106 39.000 0.077 0.000 1.056 55 F HN 0.336 nan 8.300 nan 0.000 0.506 56 E N 0.255 120.619 120.200 0.274 0.000 2.147 56 E HA -0.240 4.110 4.350 -0.000 0.000 0.199 56 E C 2.100 178.797 176.600 0.161 0.000 1.005 56 E CA 1.128 57.630 56.400 0.170 0.000 0.810 56 E CB -0.132 29.635 29.700 0.112 0.000 0.736 56 E HN 0.144 nan 8.360 nan 0.000 0.460 57 L N 0.358 121.706 121.223 0.209 0.000 2.017 57 L HA -0.188 4.151 4.340 -0.000 0.000 0.208 57 L C 2.058 179.076 176.870 0.248 0.000 1.073 57 L CA 1.696 56.680 54.840 0.239 0.000 0.745 57 L CB -1.205 41.036 42.059 0.303 0.000 0.894 57 L HN 0.450 nan 8.230 nan 0.000 0.432 58 W N 0.509 121.826 121.300 0.029 0.000 2.335 58 W HA -0.300 4.360 4.660 -0.000 0.000 0.311 58 W C 2.293 178.702 176.519 -0.183 0.000 1.213 58 W CA 1.941 59.103 57.345 -0.304 0.000 1.274 58 W CB -0.107 29.210 29.460 -0.238 0.000 1.148 58 W HN 0.246 nan 8.180 nan 0.000 0.498 59 A N 1.187 123.970 122.820 -0.062 0.000 1.859 59 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 59 A C 1.821 179.304 177.584 -0.168 0.000 1.198 59 A CA 2.488 54.444 52.037 -0.136 0.000 0.629 59 A CB -0.972 18.037 19.000 0.016 0.000 0.830 59 A HN 0.265 nan 8.150 nan 0.000 0.446 60 K N -0.427 119.929 120.400 -0.074 0.000 2.505 60 K HA 0.054 4.374 4.320 -0.000 0.000 0.192 60 K C 0.859 177.419 176.600 -0.066 0.000 1.025 60 K CA -0.143 56.113 56.287 -0.052 0.000 1.086 60 K CB -0.053 32.450 32.500 0.006 0.000 0.840 60 K HN 0.504 nan 8.250 nan 0.000 0.514 61 R N 2.069 122.482 120.500 -0.145 0.000 2.486 61 R HA -0.076 4.264 4.340 -0.000 0.000 0.303 61 R C -0.407 175.828 176.300 -0.109 0.000 0.958 61 R CA 0.037 56.060 56.100 -0.128 0.000 1.077 61 R CB 0.116 30.189 30.300 -0.379 0.000 0.921 61 R HN 0.079 nan 8.270 nan 0.000 0.406 62 N N 4.669 123.360 118.700 -0.015 0.000 2.359 62 N HA -0.105 4.635 4.740 -0.000 0.000 0.261 62 N C 0.755 176.261 175.510 -0.005 0.000 1.267 62 N CA 0.429 53.478 53.050 -0.001 0.000 0.864 62 N CB 0.394 38.903 38.487 0.037 0.000 1.063 62 N HN 0.729 nan 8.380 nan 0.000 0.474 63 I N -0.808 119.747 120.570 -0.026 0.000 4.327 63 I HA 0.316 4.486 4.170 -0.000 0.000 0.331 63 I C 0.437 176.553 176.117 -0.001 0.000 1.348 63 I CA -0.623 60.659 61.300 -0.029 0.000 1.152 63 I CB 0.069 38.015 38.000 -0.090 0.000 1.151 63 I HN 0.021 nan 8.210 nan 0.000 0.410 64 K N 3.369 123.776 120.400 0.011 0.000 2.234 64 K HA 0.279 4.599 4.320 -0.000 0.000 0.251 64 K C -2.365 174.275 176.600 0.067 0.000 1.011 64 K CA -2.045 54.262 56.287 0.033 0.000 0.889 64 K CB -0.134 32.385 32.500 0.033 0.000 1.011 64 K HN -0.004 nan 8.250 nan 0.000 0.505 65 P HA 0.084 nan 4.420 nan 0.000 0.284 65 P C -0.700 176.739 177.300 0.232 0.000 1.343 65 P CA -0.507 62.676 63.100 0.140 0.000 0.826 65 P CB 0.494 32.262 31.700 0.114 0.000 0.956 66 V N 2.218 122.240 119.914 0.180 0.000 2.966 66 V HA 0.726 4.846 4.120 -0.000 0.000 0.317 66 V C -2.455 173.754 176.094 0.192 0.000 1.070 66 V CA -3.091 59.282 62.300 0.123 0.000 1.008 66 V CB 1.418 33.281 31.823 0.066 0.000 1.070 66 V HN 0.275 nan 8.190 nan 0.000 0.457 67 P HA 0.247 nan 4.420 nan 0.000 0.274 67 P C -0.341 177.066 177.300 0.179 0.000 1.231 67 P CA -0.182 63.057 63.100 0.233 0.000 0.790 67 P CB 0.565 32.368 31.700 0.171 0.000 0.951 68 E N 1.142 121.452 120.200 0.185 0.000 2.442 68 E HA 0.002 4.352 4.350 -0.000 0.000 0.262 68 E C 1.497 178.174 176.600 0.129 0.000 1.004 68 E CA -0.137 56.352 56.400 0.148 0.000 0.928 68 E CB 0.320 30.099 29.700 0.132 0.000 0.937 68 E HN 0.377 nan 8.360 nan 0.000 0.446 69 I N 3.514 124.151 120.570 0.113 0.000 2.194 69 I HA -0.381 3.788 4.170 -0.000 0.000 0.246 69 I C 2.505 178.670 176.117 0.080 0.000 1.093 69 I CA 1.590 62.942 61.300 0.087 0.000 1.355 69 I CB -0.566 37.475 38.000 0.069 0.000 1.046 69 I HN 0.627 nan 8.210 nan 0.000 0.413 70 K N 1.629 122.080 120.400 0.085 0.000 2.059 70 K HA -0.227 4.093 4.320 -0.000 0.000 0.212 70 K C 1.930 178.588 176.600 0.097 0.000 1.050 70 K CA 1.853 58.189 56.287 0.082 0.000 0.927 70 K CB -0.621 31.931 32.500 0.086 0.000 0.714 70 K HN 0.317 nan 8.250 nan 0.000 0.447 71 I N 1.496 122.139 120.570 0.122 0.000 2.361 71 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 71 I C 2.504 178.678 176.117 0.094 0.000 1.133 71 I CA 1.103 62.486 61.300 0.139 0.000 1.413 71 I CB -0.563 37.535 38.000 0.163 0.000 1.073 71 I HN 0.193 nan 8.210 nan 0.000 0.424 72 L N 0.695 121.971 121.223 0.087 0.000 2.056 72 L HA -0.203 4.136 4.340 -0.000 0.000 0.207 72 L C 2.547 179.437 176.870 0.034 0.000 1.078 72 L CA 1.402 56.276 54.840 0.056 0.000 0.749 72 L CB -0.868 41.220 42.059 0.049 0.000 0.901 72 L HN 0.429 nan 8.230 nan 0.000 0.433 73 N N 0.609 119.333 118.700 0.040 0.000 2.084 73 N HA -0.214 4.526 4.740 -0.000 0.000 0.190 73 N C 1.504 177.033 175.510 0.031 0.000 1.030 73 N CA 1.709 54.776 53.050 0.029 0.000 0.849 73 N CB -0.047 38.458 38.487 0.030 0.000 1.012 73 N HN 0.318 nan 8.380 nan 0.000 0.423 74 N N 1.085 119.815 118.700 0.050 0.000 2.106 74 N HA -0.055 4.685 4.740 -0.000 0.000 0.188 74 N C 1.443 176.976 175.510 0.039 0.000 1.029 74 N CA 0.427 53.513 53.050 0.060 0.000 0.848 74 N CB -0.591 37.960 38.487 0.106 0.000 1.007 74 N HN 0.238 nan 8.380 nan 0.000 0.423 75 L N 0.910 122.137 121.223 0.007 0.000 2.721 75 L HA 0.025 4.365 4.340 -0.000 0.000 0.241 75 L C 0.988 177.852 176.870 -0.010 0.000 1.168 75 L CA 0.848 55.662 54.840 -0.044 0.000 0.866 75 L CB -1.891 40.107 42.059 -0.102 0.000 0.996 75 L HN 0.337 nan 8.230 nan 0.000 0.451 76 G N 0.074 108.877 108.800 0.005 0.000 2.283 76 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.280 76 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.280 76 G C 0.466 175.364 174.900 -0.004 0.000 1.029 76 G CA 0.382 45.485 45.100 0.005 0.000 0.840 76 G HN 0.208 nan 8.290 nan 0.000 0.505 77 V N 0.698 120.606 119.914 -0.010 0.000 2.529 77 V HA 0.100 4.220 4.120 -0.000 0.000 0.292 77 V C 1.374 177.434 176.094 -0.057 0.000 1.028 77 V CA 0.572 62.853 62.300 -0.032 0.000 1.074 77 V CB 1.078 32.879 31.823 -0.037 0.000 0.958 77 V HN 0.437 nan 8.190 nan 0.000 0.481 78 D N 4.214 124.567 120.400 -0.079 0.000 2.232 78 D HA 0.159 4.799 4.640 -0.000 0.000 0.220 78 D C 0.526 176.709 176.300 -0.196 0.000 0.982 78 D CA 1.222 55.163 54.000 -0.097 0.000 0.892 78 D CB 0.564 41.320 40.800 -0.073 0.000 1.040 78 D HN 0.617 nan 8.370 nan 0.000 0.463 79 I N -2.695 117.709 120.570 -0.277 0.000 2.994 79 I HA 0.656 4.826 4.170 -0.000 0.000 0.306 79 I C -1.383 174.466 176.117 -0.446 0.000 1.195 79 I CA -1.332 59.646 61.300 -0.536 0.000 1.001 79 I CB 2.501 40.220 38.000 -0.468 0.000 1.244 79 I HN -0.188 nan 8.210 nan 0.000 0.437 80 A N 2.892 125.410 122.820 -0.504 0.000 2.306 80 A HA 0.847 5.167 4.320 -0.000 0.000 0.314 80 A C 0.069 177.524 177.584 -0.216 0.000 1.164 80 A CA -0.468 51.404 52.037 -0.275 0.000 0.822 80 A CB 1.090 20.025 19.000 -0.109 0.000 1.130 80 A HN 1.138 nan 8.150 nan 0.000 0.496 81 A N 2.131 124.790 122.820 -0.269 0.000 2.354 81 A HA 0.496 4.816 4.320 -0.000 0.000 0.281 81 A C 0.516 178.050 177.584 -0.082 0.000 1.174 81 A CA -0.068 51.840 52.037 -0.214 0.000 0.828 81 A CB -0.957 17.833 19.000 -0.349 0.000 1.099 81 A HN 1.218 nan 8.150 nan 0.000 0.516 82 N N 0.187 118.867 118.700 -0.033 0.000 2.740 82 N HA -0.168 4.572 4.740 -0.000 0.000 0.248 82 N C -0.156 175.361 175.510 0.012 0.000 1.062 82 N CA 1.300 54.352 53.050 0.002 0.000 0.704 82 N CB -1.055 37.438 38.487 0.010 0.000 0.968 82 N HN 0.938 nan 8.380 nan 0.000 0.547 83 T N -1.887 112.686 114.554 0.032 0.000 2.700 83 T HA 0.542 4.891 4.350 -0.000 0.000 0.307 83 T C -1.866 172.904 174.700 0.117 0.000 1.580 83 T CA -0.552 61.577 62.100 0.049 0.000 0.992 83 T CB 1.539 70.423 68.868 0.026 0.000 1.577 83 T HN -0.078 nan 8.240 nan 0.000 0.496 84 V N 3.035 123.010 119.914 0.101 0.000 2.588 84 V HA 0.573 4.693 4.120 -0.000 0.000 0.304 84 V C -0.416 175.739 176.094 0.102 0.000 1.042 84 V CA -0.902 61.448 62.300 0.083 0.000 0.877 84 V CB 1.772 33.620 31.823 0.042 0.000 0.996 84 V HN 0.711 nan 8.190 nan 0.000 0.425 85 I N 3.832 124.478 120.570 0.126 0.000 2.331 85 I HA 0.245 4.414 4.170 -0.000 0.000 0.292 85 I C -0.143 176.006 176.117 0.053 0.000 0.998 85 I CA -0.228 61.153 61.300 0.135 0.000 1.267 85 I CB 1.275 39.386 38.000 0.186 0.000 1.386 85 I HN 0.688 nan 8.210 nan 0.000 0.476 86 W N 6.494 127.725 121.300 -0.114 0.000 2.376 86 W HA 0.184 4.844 4.660 -0.000 0.000 0.322 86 W C -0.414 175.958 176.519 -0.246 0.000 1.160 86 W CA -0.212 56.989 57.345 -0.241 0.000 1.218 86 W CB 1.583 30.798 29.460 -0.408 0.000 1.205 86 W HN 0.456 nan 8.180 nan 0.000 0.559 87 D N 4.584 124.556 120.400 -0.714 0.000 2.427 87 D HA 0.077 4.717 4.640 -0.000 0.000 0.226 87 D C 0.203 176.307 176.300 -0.328 0.000 1.076 87 D CA -0.313 53.464 54.000 -0.372 0.000 0.849 87 D CB 0.518 41.134 40.800 -0.307 0.000 1.052 87 D HN 0.326 nan 8.370 nan 0.000 0.515 88 Y N 2.673 123.063 120.300 0.149 0.000 2.337 88 Y HA -0.054 4.496 4.550 -0.000 0.000 0.293 88 Y C 2.276 178.264 175.900 0.146 0.000 1.123 88 Y CA 0.760 59.016 58.100 0.261 0.000 1.201 88 Y CB 0.293 38.927 38.460 0.290 0.000 1.011 88 Y HN 0.322 nan 8.280 nan 0.000 0.545 89 K N 0.180 120.708 120.400 0.214 0.000 2.097 89 K HA -0.095 4.224 4.320 -0.000 0.000 0.205 89 K C 1.849 178.487 176.600 0.064 0.000 1.050 89 K CA 1.142 57.509 56.287 0.134 0.000 0.938 89 K CB -0.229 32.331 32.500 0.101 0.000 0.718 89 K HN 0.300 nan 8.250 nan 0.000 0.442 90 R N 1.108 121.603 120.500 -0.008 0.000 2.275 90 R HA -0.000 4.340 4.340 -0.000 0.000 0.199 90 R C -0.163 176.101 176.300 -0.060 0.000 0.989 90 R CA 0.206 56.269 56.100 -0.063 0.000 1.016 90 R CB -0.021 30.199 30.300 -0.134 0.000 0.918 90 R HN 0.275 nan 8.270 nan 0.000 0.473 91 E N -0.520 119.674 120.200 -0.011 0.000 2.320 91 E HA -0.224 4.125 4.350 -0.000 0.000 0.234 91 E C -0.900 175.664 176.600 -0.061 0.000 1.183 91 E CA 0.305 56.768 56.400 0.105 0.000 0.713 91 E CB -0.918 28.866 29.700 0.141 0.000 1.226 91 E HN 0.513 nan 8.360 nan 0.000 0.382 92 A N -0.515 121.935 122.820 -0.618 0.000 2.564 92 A HA 0.713 5.033 4.320 -0.000 0.000 0.291 92 A C -2.984 173.499 177.584 -1.835 0.000 1.102 92 A CA -1.323 50.096 52.037 -1.030 0.000 0.660 92 A CB 1.400 20.121 19.000 -0.465 0.000 1.283 92 A HN -0.046 nan 8.150 nan 0.000 0.430 93 P HA 0.410 nan 4.420 nan 0.000 0.275 93 P C 0.696 177.651 177.300 -0.574 0.000 1.227 93 P CA 0.516 63.044 63.100 -0.954 0.000 0.781 93 P CB 1.242 32.662 31.700 -0.466 0.000 0.906 94 A N 3.017 125.586 122.820 -0.418 0.000 1.972 94 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 94 A C 0.972 178.514 177.584 -0.069 0.000 1.169 94 A CA 1.292 53.216 52.037 -0.188 0.000 0.635 94 A CB -1.034 17.945 19.000 -0.035 0.000 0.810 94 A HN 0.760 nan 8.150 nan 0.000 0.446 95 H N -3.855 115.148 119.070 -0.113 0.000 2.851 95 H HA 0.550 5.106 4.556 -0.000 0.000 0.372 95 H C -0.342 174.951 175.328 -0.059 0.000 1.158 95 H CA -0.437 55.566 56.048 -0.076 0.000 1.159 95 H CB 1.319 31.050 29.762 -0.053 0.000 1.757 95 H HN -0.136 nan 8.280 nan 0.000 0.546 96 V N 1.331 121.267 119.914 0.036 0.000 3.590 96 V HA 0.025 4.145 4.120 -0.000 0.000 0.265 96 V C 0.696 176.835 176.094 0.075 0.000 1.239 96 V CA 0.452 62.758 62.300 0.009 0.000 1.117 96 V CB 0.098 31.916 31.823 -0.008 0.000 0.818 96 V HN 0.618 nan 8.190 nan 0.000 0.451 97 S N 0.450 116.232 115.700 0.137 0.000 2.499 97 S HA 0.549 5.019 4.470 -0.000 0.000 0.279 97 S C 0.117 174.829 174.600 0.187 0.000 1.219 97 S CA -0.075 58.190 58.200 0.108 0.000 1.062 97 S CB 1.527 64.754 63.200 0.046 0.000 0.978 97 S HN 0.402 nan 8.310 nan 0.000 0.489 98 T N 3.778 118.401 114.554 0.115 0.000 2.924 98 T HA 0.645 4.995 4.350 -0.000 0.000 0.291 98 T C -0.542 174.184 174.700 0.044 0.000 1.045 98 T CA -0.678 61.495 62.100 0.122 0.000 1.015 98 T CB 0.899 69.828 68.868 0.102 0.000 1.103 98 T HN 0.603 nan 8.240 nan 0.000 0.496 99 I N -0.797 119.787 120.570 0.025 0.000 2.533 99 I HA 0.666 4.836 4.170 -0.000 0.000 0.290 99 I C 0.710 176.837 176.117 0.017 0.000 1.056 99 I CA -0.581 60.724 61.300 0.007 0.000 1.057 99 I CB 1.016 39.004 38.000 -0.021 0.000 1.240 99 I HN 0.859 nan 8.210 nan 0.000 0.423 100 G N 3.892 112.705 108.800 0.021 0.000 2.168 100 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.257 100 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.257 100 G C 0.373 175.290 174.900 0.027 0.000 0.997 100 G CA 0.577 45.691 45.100 0.023 0.000 0.708 100 G HN 0.644 nan 8.290 nan 0.000 0.520 101 V N -1.247 118.688 119.914 0.035 0.000 2.743 101 V HA 0.369 4.488 4.120 -0.000 0.000 0.237 101 V C 1.415 177.533 176.094 0.040 0.000 1.113 101 V CA 1.471 63.795 62.300 0.040 0.000 1.141 101 V CB 1.145 33.002 31.823 0.056 0.000 0.873 101 V HN 1.036 nan 8.190 nan 0.000 0.486 102 C N -1.261 118.065 119.300 0.042 0.000 2.782 102 C HA 0.457 4.917 4.460 -0.000 0.000 0.328 102 C C 1.911 176.923 174.990 0.036 0.000 1.145 102 C CA 0.229 59.272 59.018 0.041 0.000 1.358 102 C CB 0.990 28.760 27.740 0.049 0.000 1.841 102 C HN 0.526 nan 8.230 nan 0.000 0.477 103 T N 2.753 117.326 114.554 0.032 0.000 2.759 103 T HA -0.218 4.132 4.350 -0.000 0.000 0.269 103 T C 1.555 176.272 174.700 0.028 0.000 1.042 103 T CA 2.563 64.680 62.100 0.028 0.000 1.140 103 T CB -0.355 68.528 68.868 0.026 0.000 0.864 103 T HN 0.852 nan 8.240 nan 0.000 0.455 104 M N 0.946 120.564 119.600 0.031 0.000 2.419 104 M HA 0.056 4.536 4.480 -0.000 0.000 0.264 104 M C 1.976 178.294 176.300 0.031 0.000 1.082 104 M CA 2.004 57.322 55.300 0.030 0.000 1.119 104 M CB 0.026 32.645 32.600 0.031 0.000 1.398 104 M HN 0.352 nan 8.290 nan 0.000 0.453 105 T N -2.981 111.594 114.554 0.035 0.000 2.969 105 T HA 0.164 4.514 4.350 -0.000 0.000 0.250 105 T C 0.540 175.264 174.700 0.040 0.000 1.021 105 T CA -0.024 62.099 62.100 0.038 0.000 1.003 105 T CB -0.504 68.391 68.868 0.045 0.000 1.040 105 T HN 0.493 nan 8.240 nan 0.000 0.492 106 D N 2.167 122.590 120.400 0.038 0.000 2.371 106 D HA 0.217 4.857 4.640 -0.000 0.000 0.242 106 D C 1.099 177.414 176.300 0.024 0.000 1.218 106 D CA -0.789 53.232 54.000 0.034 0.000 0.945 106 D CB 0.737 41.557 40.800 0.032 0.000 1.137 106 D HN 0.500 nan 8.370 nan 0.000 0.464 107 I N -4.151 116.430 120.570 0.018 0.000 4.323 107 I HA 0.598 4.768 4.170 -0.000 0.000 0.328 107 I C 0.473 176.597 176.117 0.011 0.000 1.310 107 I CA -0.410 60.897 61.300 0.012 0.000 1.186 107 I CB 0.370 38.373 38.000 0.006 0.000 1.130 107 I HN 0.431 nan 8.210 nan 0.000 0.411 108 A N 0.672 123.499 122.820 0.012 0.000 2.594 108 A HA 0.564 4.884 4.320 -0.000 0.000 0.295 108 A C 0.039 177.633 177.584 0.017 0.000 1.071 108 A CA -0.627 51.419 52.037 0.015 0.000 0.685 108 A CB 1.471 20.480 19.000 0.015 0.000 1.285 108 A HN 0.038 nan 8.150 nan 0.000 0.405 109 K N -0.188 120.224 120.400 0.020 0.000 2.167 109 K HA 0.064 4.384 4.320 -0.000 0.000 0.203 109 K C 0.016 176.631 176.600 0.025 0.000 1.052 109 K CA 1.158 57.458 56.287 0.021 0.000 0.956 109 K CB 0.044 32.556 32.500 0.021 0.000 0.735 109 K HN 0.513 nan 8.250 nan 0.000 0.451 110 K N 0.133 120.550 120.400 0.029 0.000 2.443 110 K HA 0.170 4.489 4.320 -0.000 0.000 0.252 110 K C -2.261 174.371 176.600 0.053 0.000 0.933 110 K CA -1.949 54.363 56.287 0.042 0.000 0.792 110 K CB 2.134 34.660 32.500 0.042 0.000 1.185 110 K HN -0.237 nan 8.250 nan 0.000 0.425 111 P HA -0.185 nan 4.420 nan 0.000 0.227 111 P C 0.525 177.914 177.300 0.150 0.000 1.145 111 P CA 1.222 64.383 63.100 0.102 0.000 0.769 111 P CB 0.065 31.867 31.700 0.170 0.000 0.769 112 T N -5.143 109.479 114.554 0.113 0.000 3.014 112 T HA 0.102 4.452 4.350 -0.000 0.000 0.250 112 T C 0.835 175.568 174.700 0.055 0.000 1.060 112 T CA -0.303 61.851 62.100 0.090 0.000 1.040 112 T CB -0.114 68.793 68.868 0.064 0.000 0.971 112 T HN 0.085 nan 8.240 nan 0.000 0.497 113 E N 1.937 122.164 120.200 0.045 0.000 2.442 113 E HA 0.059 4.409 4.350 -0.000 0.000 0.260 113 E C 0.767 177.384 176.600 0.028 0.000 1.148 113 E CA 0.240 56.659 56.400 0.030 0.000 0.976 113 E CB 0.522 30.237 29.700 0.026 0.000 0.967 113 E HN 0.474 nan 8.360 nan 0.000 0.454 114 S N 1.234 116.946 115.700 0.020 0.000 2.660 114 S HA 0.012 4.482 4.470 -0.000 0.000 0.228 114 S C 1.197 175.806 174.600 0.015 0.000 0.966 114 S CA 0.347 58.557 58.200 0.017 0.000 0.940 114 S CB 0.302 63.509 63.200 0.011 0.000 0.773 114 S HN 0.501 nan 8.310 nan 0.000 0.535 115 A N 0.381 123.210 122.820 0.016 0.000 2.030 115 A HA 0.156 4.476 4.320 -0.000 0.000 0.215 115 A C 1.695 179.286 177.584 0.012 0.000 1.164 115 A CA 0.487 52.531 52.037 0.012 0.000 0.697 115 A CB -0.730 18.276 19.000 0.010 0.000 0.827 115 A HN 0.697 nan 8.150 nan 0.000 0.457 116 C N 0.249 119.560 119.300 0.019 0.000 2.480 116 C HA 0.277 4.737 4.460 -0.000 0.000 0.317 116 C C 2.400 177.411 174.990 0.034 0.000 1.300 116 C CA -0.028 59.002 59.018 0.022 0.000 1.706 116 C CB -1.864 25.895 27.740 0.031 0.000 1.840 116 C HN 0.547 nan 8.230 nan 0.000 0.596 117 S N 2.508 118.223 115.700 0.026 0.000 2.365 117 S HA -0.155 4.314 4.470 -0.000 0.000 0.221 117 S C 1.943 176.560 174.600 0.028 0.000 1.037 117 S CA 2.284 60.500 58.200 0.026 0.000 1.060 117 S CB -0.225 62.985 63.200 0.017 0.000 0.974 117 S HN 0.844 nan 8.310 nan 0.000 0.427 118 S N 0.339 116.051 115.700 0.020 0.000 2.622 118 S HA 0.464 4.934 4.470 -0.000 0.000 0.236 118 S C -0.074 174.536 174.600 0.016 0.000 0.956 118 S CA -0.354 57.856 58.200 0.018 0.000 0.971 118 S CB -0.319 62.887 63.200 0.011 0.000 0.782 118 S HN 0.232 nan 8.310 nan 0.000 0.468 119 L N 1.630 122.864 121.223 0.019 0.000 2.385 119 L HA 0.440 4.780 4.340 -0.000 0.000 0.273 119 L C -0.501 176.380 176.870 0.018 0.000 0.990 119 L CA -0.662 54.181 54.840 0.005 0.000 0.821 119 L CB 2.145 44.194 42.059 -0.018 0.000 1.279 119 L HN 0.026 nan 8.230 nan 0.000 0.412 120 T N 2.495 117.056 114.554 0.012 0.000 2.769 120 T HA 0.258 4.607 4.350 -0.000 0.000 0.293 120 T C 0.021 174.700 174.700 -0.035 0.000 0.931 120 T CA -0.225 61.892 62.100 0.028 0.000 1.139 120 T CB 0.590 69.471 68.868 0.022 0.000 0.881 120 T HN 0.167 nan 8.240 nan 0.000 0.532 121 V N 5.204 125.095 119.914 -0.038 0.000 2.459 121 V HA 0.345 4.465 4.120 -0.000 0.000 0.295 121 V C 0.265 176.156 176.094 -0.339 0.000 1.029 121 V CA -1.011 61.139 62.300 -0.250 0.000 0.874 121 V CB 1.891 33.481 31.823 -0.388 0.000 0.985 121 V HN 0.789 nan 8.190 nan 0.000 0.438 122 L N 5.370 126.387 121.223 -0.344 0.000 2.360 122 L HA 0.430 4.770 4.340 -0.000 0.000 0.276 122 L C -1.112 175.486 176.870 -0.452 0.000 1.121 122 L CA 0.171 54.846 54.840 -0.275 0.000 0.845 122 L CB 0.243 42.186 42.059 -0.192 0.000 1.143 122 L HN 0.506 nan 8.230 nan 0.000 0.452 123 F N 2.965 122.833 119.950 -0.137 0.000 2.480 123 F HA 0.349 4.876 4.527 -0.000 0.000 0.329 123 F C 0.144 175.838 175.800 -0.176 0.000 1.091 123 F CA -0.676 57.248 58.000 -0.126 0.000 0.972 123 F CB 1.557 40.489 39.000 -0.113 0.000 1.150 123 F HN 0.393 nan 8.300 nan 0.000 0.467 124 D N 0.815 121.247 120.400 0.053 0.000 2.248 124 D HA 0.407 5.047 4.640 -0.000 0.000 0.246 124 D C 0.500 176.800 176.300 0.001 0.000 1.027 124 D CA -0.467 53.511 54.000 -0.037 0.000 0.853 124 D CB 2.022 42.786 40.800 -0.059 0.000 1.243 124 D HN 0.663 nan 8.370 nan 0.000 0.462 125 G N 1.904 110.691 108.800 -0.022 0.000 3.434 125 G HA2 0.033 3.993 3.960 -0.000 0.000 0.258 125 G HA3 0.033 3.993 3.960 -0.000 0.000 0.258 125 G C 0.978 175.890 174.900 0.019 0.000 1.128 125 G CA -0.171 44.932 45.100 0.005 0.000 0.792 125 G HN 0.398 nan 8.290 nan 0.000 0.539 126 R N -0.602 119.908 120.500 0.016 0.000 2.254 126 R HA 0.181 4.521 4.340 -0.000 0.000 0.193 126 R C 0.320 176.633 176.300 0.021 0.000 0.929 126 R CA 0.042 56.158 56.100 0.027 0.000 1.038 126 R CB 0.852 31.174 30.300 0.037 0.000 1.009 126 R HN 0.219 nan 8.270 nan 0.000 0.512 127 V N 3.191 123.116 119.914 0.018 0.000 2.347 127 V HA 0.171 4.291 4.120 -0.000 0.000 0.280 127 V C -0.850 175.260 176.094 0.028 0.000 1.021 127 V CA -0.805 61.508 62.300 0.021 0.000 0.847 127 V CB 1.160 32.995 31.823 0.021 0.000 0.990 127 V HN 0.187 nan 8.190 nan 0.000 0.444 128 E N 5.488 125.702 120.200 0.022 0.000 2.374 128 E HA 0.757 5.107 4.350 -0.000 0.000 0.260 128 E C 1.049 177.664 176.600 0.025 0.000 1.101 128 E CA 0.093 56.505 56.400 0.020 0.000 0.907 128 E CB 0.995 30.703 29.700 0.013 0.000 1.014 128 E HN 1.215 nan 8.360 nan 0.000 0.427 129 G N 0.675 109.487 108.800 0.021 0.000 2.490 129 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.214 129 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.214 129 G C 1.163 176.085 174.900 0.036 0.000 1.151 129 G CA 0.307 45.422 45.100 0.025 0.000 0.684 129 G HN 0.461 nan 8.290 nan 0.000 0.518 130 Q N 0.553 120.393 119.800 0.067 0.000 2.079 130 Q HA 0.021 4.361 4.340 -0.000 0.000 0.200 130 Q C 2.817 178.846 176.000 0.047 0.000 0.974 130 Q CA 2.056 57.936 55.803 0.128 0.000 0.840 130 Q CB -0.204 28.654 28.738 0.199 0.000 0.898 130 Q HN 0.657 nan 8.270 nan 0.000 0.430 131 V N 1.239 121.168 119.914 0.025 0.000 2.428 131 V HA -0.291 3.829 4.120 -0.000 0.000 0.255 131 V C 1.517 177.592 176.094 -0.031 0.000 1.080 131 V CA 2.255 64.548 62.300 -0.012 0.000 1.083 131 V CB -0.622 31.192 31.823 -0.014 0.000 0.665 131 V HN 0.328 nan 8.190 nan 0.000 0.461 132 D N -1.232 119.144 120.400 -0.040 0.000 2.338 132 D HA 0.036 4.675 4.640 -0.000 0.000 0.208 132 D C 1.721 177.958 176.300 -0.106 0.000 0.997 132 D CA 0.108 54.070 54.000 -0.063 0.000 0.880 132 D CB 0.096 40.870 40.800 -0.042 0.000 0.980 132 D HN 0.231 nan 8.370 nan 0.000 0.509 133 L N 0.279 121.437 121.223 -0.110 0.000 2.201 133 L HA 0.009 4.349 4.340 -0.000 0.000 0.212 133 L C 1.749 178.360 176.870 -0.432 0.000 1.105 133 L CA 0.934 55.681 54.840 -0.155 0.000 0.775 133 L CB -0.904 41.167 42.059 0.020 0.000 0.913 133 L HN 0.156 nan 8.230 nan 0.000 0.440 134 F N 0.462 119.910 119.950 -0.835 0.000 2.171 134 F HA -0.184 4.343 4.527 -0.000 0.000 0.300 134 F C 2.520 178.058 175.800 -0.436 0.000 1.090 134 F CA 1.364 58.797 58.000 -0.947 0.000 1.293 134 F CB -0.232 38.336 39.000 -0.720 0.000 1.013 134 F HN -0.003 nan 8.300 nan 0.000 0.486 135 R N -0.108 120.141 120.500 -0.419 0.000 2.096 135 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 135 R C 0.613 176.729 176.300 -0.307 0.000 1.127 135 R CA 1.263 57.129 56.100 -0.390 0.000 0.968 135 R CB -0.416 29.749 30.300 -0.226 0.000 0.861 135 R HN 0.285 nan 8.270 nan 0.000 0.440 136 N N 0.269 118.829 118.700 -0.233 0.000 2.546 136 N HA 0.187 4.927 4.740 -0.000 0.000 0.286 136 N C -1.049 174.387 175.510 -0.123 0.000 1.259 136 N CA 0.038 52.997 53.050 -0.152 0.000 0.939 136 N CB 1.438 39.868 38.487 -0.094 0.000 1.243 136 N HN 0.108 nan 8.380 nan 0.000 0.511 137 A N -0.107 122.606 122.820 -0.178 0.000 2.380 137 A HA 0.551 4.871 4.320 -0.000 0.000 0.315 137 A C 0.975 178.521 177.584 -0.064 0.000 1.101 137 A CA -0.623 51.377 52.037 -0.062 0.000 0.771 137 A CB 2.282 21.289 19.000 0.012 0.000 1.287 137 A HN 0.053 nan 8.150 nan 0.000 0.436 138 R N 0.519 121.028 120.500 0.015 0.000 2.060 138 R HA 0.058 4.398 4.340 -0.000 0.000 0.218 138 R C -0.271 176.054 176.300 0.042 0.000 1.200 138 R CA 0.721 56.826 56.100 0.009 0.000 0.935 138 R CB -0.278 30.036 30.300 0.024 0.000 0.814 138 R HN 0.834 nan 8.270 nan 0.000 0.460 139 N N 0.437 119.192 118.700 0.091 0.000 2.421 139 N HA 0.405 5.145 4.740 -0.000 0.000 0.285 139 N C -0.200 175.447 175.510 0.227 0.000 1.027 139 N CA 0.011 53.137 53.050 0.128 0.000 0.918 139 N CB 2.089 40.628 38.487 0.085 0.000 1.152 139 N HN 0.412 nan 8.380 nan 0.000 0.485 140 G N -0.253 108.737 108.800 0.317 0.000 2.368 140 G HA2 0.396 4.356 3.960 -0.000 0.000 0.293 140 G HA3 0.396 4.356 3.960 -0.000 0.000 0.293 140 G C -1.802 173.356 174.900 0.429 0.000 1.467 140 G CA -0.490 44.871 45.100 0.435 0.000 0.804 140 G HN 0.307 nan 8.290 nan 0.000 0.535 141 V N 0.094 120.155 119.914 0.245 0.000 2.823 141 V HA 0.826 4.946 4.120 -0.000 0.000 0.312 141 V C -0.732 175.270 176.094 -0.153 0.000 1.072 141 V CA -0.840 61.484 62.300 0.041 0.000 0.937 141 V CB 1.765 33.610 31.823 0.037 0.000 1.013 141 V HN 1.030 nan 8.190 nan 0.000 0.430 142 L N 5.560 126.546 121.223 -0.396 0.000 2.386 142 L HA 0.803 5.142 4.340 -0.000 0.000 0.271 142 L C -0.745 175.990 176.870 -0.226 0.000 0.993 142 L CA -0.124 54.462 54.840 -0.423 0.000 0.819 142 L CB 1.725 43.187 42.059 -0.995 0.000 1.294 142 L HN 0.690 nan 8.230 nan 0.000 0.414 143 I N 1.169 121.569 120.570 -0.282 0.000 2.562 143 I HA 0.931 5.101 4.170 -0.000 0.000 0.301 143 I C -0.667 175.361 176.117 -0.149 0.000 1.003 143 I CA -0.335 60.726 61.300 -0.398 0.000 1.127 143 I CB 2.156 39.648 38.000 -0.847 0.000 1.304 143 I HN 0.673 nan 8.210 nan 0.000 0.446 144 T N 0.839 115.391 114.554 -0.003 0.000 2.821 144 T HA 0.261 4.611 4.350 -0.000 0.000 0.306 144 T C 0.173 174.994 174.700 0.203 0.000 1.313 144 T CA -0.627 61.546 62.100 0.122 0.000 1.012 144 T CB 1.884 70.856 68.868 0.174 0.000 1.298 144 T HN 0.774 nan 8.240 nan 0.000 0.502 145 E N 0.002 120.299 120.200 0.162 0.000 2.479 145 E HA 0.336 4.686 4.350 -0.000 0.000 0.193 145 E C 0.641 177.290 176.600 0.082 0.000 1.049 145 E CA -0.159 56.310 56.400 0.115 0.000 0.870 145 E CB 0.336 30.085 29.700 0.082 0.000 0.944 145 E HN 0.886 nan 8.360 nan 0.000 0.492 146 G N 0.522 109.387 108.800 0.108 0.000 2.608 146 G HA2 0.359 4.319 3.960 -0.000 0.000 0.291 146 G HA3 0.359 4.319 3.960 -0.000 0.000 0.291 146 G C -0.843 174.147 174.900 0.151 0.000 1.425 146 G CA -0.283 44.879 45.100 0.103 0.000 0.787 146 G HN 0.139 nan 8.290 nan 0.000 0.484 147 S N -1.500 114.286 115.700 0.142 0.000 2.589 147 S HA 0.646 5.116 4.470 -0.000 0.000 0.265 147 S C -0.175 174.486 174.600 0.101 0.000 1.342 147 S CA -0.434 57.875 58.200 0.182 0.000 1.005 147 S CB 1.577 64.867 63.200 0.150 0.000 0.909 147 S HN 1.107 nan 8.310 nan 0.000 0.555 148 V N 1.186 121.132 119.914 0.054 0.000 2.733 148 V HA 0.345 4.465 4.120 -0.000 0.000 0.306 148 V C -0.306 175.742 176.094 -0.077 0.000 1.084 148 V CA -1.209 61.044 62.300 -0.078 0.000 0.905 148 V CB 1.849 33.498 31.823 -0.290 0.000 1.010 148 V HN 0.958 nan 8.190 nan 0.000 0.424 149 K N 3.379 123.744 120.400 -0.058 0.000 2.289 149 K HA -0.018 4.302 4.320 -0.000 0.000 0.251 149 K C 1.249 177.827 176.600 -0.038 0.000 1.307 149 K CA 1.163 57.426 56.287 -0.039 0.000 1.290 149 K CB -0.577 31.897 32.500 -0.043 0.000 0.757 149 K HN 1.326 nan 8.250 nan 0.000 0.513 150 G N 2.654 111.451 108.800 -0.005 0.000 2.225 150 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.267 150 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.267 150 G C -0.059 174.854 174.900 0.021 0.000 1.024 150 G CA 0.008 45.114 45.100 0.011 0.000 0.784 150 G HN 0.477 nan 8.290 nan 0.000 0.507 151 L N 0.372 121.612 121.223 0.029 0.000 2.329 151 L HA 0.504 4.844 4.340 -0.000 0.000 0.279 151 L C 0.518 177.549 176.870 0.269 0.000 1.014 151 L CA -0.951 53.950 54.840 0.101 0.000 0.814 151 L CB 1.993 44.011 42.059 -0.068 0.000 1.257 151 L HN 0.087 nan 8.230 nan 0.000 0.424 152 T N 2.654 117.386 114.554 0.297 0.000 2.794 152 T HA 0.288 4.638 4.350 -0.000 0.000 0.296 152 T C -2.374 172.536 174.700 0.350 0.000 0.949 152 T CA -1.118 61.144 62.100 0.269 0.000 1.101 152 T CB 0.740 69.704 68.868 0.161 0.000 0.905 152 T HN 0.281 nan 8.240 nan 0.000 0.516 153 P HA 0.315 nan 4.420 nan 0.000 0.274 153 P C -0.652 176.604 177.300 -0.072 0.000 1.231 153 P CA -0.613 62.441 63.100 -0.077 0.000 0.790 153 P CB 0.654 32.383 31.700 0.049 0.000 0.951 154 S N 1.463 117.072 115.700 -0.151 0.000 2.498 154 S HA 0.270 4.740 4.470 -0.000 0.000 0.324 154 S C -0.368 174.334 174.600 0.170 0.000 1.071 154 S CA -0.799 57.446 58.200 0.074 0.000 1.113 154 S CB -0.221 63.087 63.200 0.179 0.000 0.976 154 S HN 0.165 nan 8.310 nan 0.000 0.462 155 K N 3.649 124.149 120.400 0.167 0.000 2.382 155 K HA 0.240 4.560 4.320 -0.000 0.000 0.286 155 K C 1.093 177.868 176.600 0.292 0.000 1.062 155 K CA -0.088 56.308 56.287 0.183 0.000 1.000 155 K CB 0.455 33.026 32.500 0.118 0.000 0.954 155 K HN 0.737 nan 8.250 nan 0.000 0.470 156 G N 4.461 113.449 108.800 0.313 0.000 2.583 156 G HA2 0.134 4.094 3.960 -0.000 0.000 0.275 156 G HA3 0.134 4.094 3.960 -0.000 0.000 0.275 156 G C -2.312 172.301 174.900 -0.478 0.000 1.342 156 G CA -0.983 44.194 45.100 0.128 0.000 1.030 156 G HN 0.337 nan 8.290 nan 0.000 0.520 157 P HA 0.225 nan 4.420 nan 0.000 0.271 157 P C 0.615 177.739 177.300 -0.294 0.000 1.233 157 P CA 0.453 63.075 63.100 -0.797 0.000 0.789 157 P CB 0.788 32.119 31.700 -0.615 0.000 0.951 158 A N 1.064 123.780 122.820 -0.173 0.000 1.969 158 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 158 A C 0.623 178.122 177.584 -0.141 0.000 1.169 158 A CA 1.477 53.439 52.037 -0.125 0.000 0.635 158 A CB -0.867 18.094 19.000 -0.064 0.000 0.810 158 A HN 0.664 nan 8.150 nan 0.000 0.445 159 Q N -0.629 119.108 119.800 -0.105 0.000 2.241 159 Q HA 0.701 5.041 4.340 -0.000 0.000 0.254 159 Q C -0.252 175.738 176.000 -0.016 0.000 0.917 159 Q CA 0.224 55.992 55.803 -0.058 0.000 0.919 159 Q CB 1.616 30.348 28.738 -0.011 0.000 1.237 159 Q HN 0.382 nan 8.270 nan 0.000 0.434 160 A N 1.333 124.156 122.820 0.006 0.000 2.312 160 A HA 0.762 5.082 4.320 -0.000 0.000 0.310 160 A C -0.606 177.048 177.584 0.116 0.000 1.139 160 A CA -0.779 51.344 52.037 0.144 0.000 0.886 160 A CB 1.599 20.735 19.000 0.227 0.000 1.350 160 A HN 0.546 nan 8.150 nan 0.000 0.479 161 S N -0.072 115.720 115.700 0.154 0.000 2.420 161 S HA 0.453 4.923 4.470 -0.000 0.000 0.313 161 S C -0.826 173.847 174.600 0.122 0.000 1.079 161 S CA -0.458 57.822 58.200 0.133 0.000 1.104 161 S CB -0.115 63.188 63.200 0.171 0.000 0.969 161 S HN 0.650 nan 8.310 nan 0.000 0.471 162 V N 7.312 127.269 119.914 0.072 0.000 2.258 162 V HA 0.347 4.467 4.120 -0.000 0.000 0.258 162 V C 0.514 176.614 176.094 0.011 0.000 1.121 162 V CA -0.684 61.645 62.300 0.047 0.000 0.942 162 V CB -0.460 31.374 31.823 0.020 0.000 1.170 162 V HN 1.034 nan 8.190 nan 0.000 0.487 163 N N 4.244 122.971 118.700 0.044 0.000 2.696 163 N HA -0.214 4.526 4.740 -0.000 0.000 0.256 163 N C 1.239 176.528 175.510 -0.368 0.000 1.031 163 N CA 1.080 54.105 53.050 -0.041 0.000 0.730 163 N CB -0.747 37.702 38.487 -0.064 0.000 0.894 163 N HN 1.277 nan 8.380 nan 0.000 0.544 164 G N -2.220 106.378 108.800 -0.336 0.000 2.205 164 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.261 164 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.261 164 G C 0.033 174.844 174.900 -0.148 0.000 0.980 164 G CA 0.501 45.310 45.100 -0.485 0.000 0.632 164 G HN 0.527 nan 8.290 nan 0.000 0.533 165 V N 1.848 121.708 119.914 -0.090 0.000 2.409 165 V HA 0.698 4.818 4.120 -0.000 0.000 0.291 165 V C 0.548 176.649 176.094 0.013 0.000 1.020 165 V CA -0.047 62.237 62.300 -0.028 0.000 0.848 165 V CB 1.612 33.412 31.823 -0.039 0.000 0.990 165 V HN 0.773 nan 8.190 nan 0.000 0.430 166 T N 4.625 119.199 114.554 0.034 0.000 2.837 166 T HA 0.858 5.208 4.350 -0.000 0.000 0.285 166 T C -0.679 174.035 174.700 0.022 0.000 0.984 166 T CA -0.507 61.619 62.100 0.044 0.000 1.049 166 T CB 1.327 70.234 68.868 0.066 0.000 0.947 166 T HN 0.945 nan 8.240 nan 0.000 0.472 167 L N 0.730 121.959 121.223 0.010 0.000 2.775 167 L HA 0.672 5.011 4.340 -0.000 0.000 0.263 167 L C -1.673 175.182 176.870 -0.025 0.000 1.017 167 L CA -1.617 53.218 54.840 -0.008 0.000 0.891 167 L CB 1.432 43.483 42.059 -0.012 0.000 1.482 167 L HN 0.611 nan 8.230 nan 0.000 0.410 168 I N 2.070 122.619 120.570 -0.034 0.000 2.379 168 I HA 0.346 4.516 4.170 -0.000 0.000 0.290 168 I C 1.168 177.253 176.117 -0.053 0.000 1.063 168 I CA 0.021 61.291 61.300 -0.051 0.000 1.351 168 I CB 1.035 39.008 38.000 -0.046 0.000 1.410 168 I HN 0.759 nan 8.210 nan 0.000 0.505 169 G N 6.000 114.758 108.800 -0.071 0.000 2.298 169 G HA2 0.023 3.983 3.960 -0.000 0.000 0.263 169 G HA3 0.023 3.983 3.960 -0.000 0.000 0.263 169 G C 1.013 175.882 174.900 -0.052 0.000 1.229 169 G CA -0.334 44.727 45.100 -0.064 0.000 0.976 169 G HN 0.833 nan 8.290 nan 0.000 0.459 170 E N 1.909 122.086 120.200 -0.039 0.000 2.038 170 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 170 E C 2.029 178.612 176.600 -0.029 0.000 0.967 170 E CA 1.519 57.900 56.400 -0.032 0.000 0.816 170 E CB -0.615 29.069 29.700 -0.025 0.000 0.784 170 E HN 0.541 nan 8.360 nan 0.000 0.456 171 S N 0.252 115.936 115.700 -0.026 0.000 2.511 171 S HA 0.232 4.702 4.470 -0.000 0.000 0.214 171 S C 0.744 175.330 174.600 -0.023 0.000 0.997 171 S CA -0.119 58.068 58.200 -0.022 0.000 0.908 171 S CB 0.451 63.641 63.200 -0.017 0.000 0.803 171 S HN 0.120 nan 8.310 nan 0.000 0.504 172 V N 3.529 123.426 119.914 -0.029 0.000 2.667 172 V HA 0.490 4.610 4.120 -0.000 0.000 0.308 172 V C -0.949 175.112 176.094 -0.055 0.000 1.048 172 V CA -1.179 61.102 62.300 -0.030 0.000 0.928 172 V CB 1.666 33.477 31.823 -0.020 0.000 1.004 172 V HN 0.448 nan 8.190 nan 0.000 0.444 173 K N 3.539 123.904 120.400 -0.058 0.000 2.316 173 K HA 0.260 4.580 4.320 -0.000 0.000 0.289 173 K C 0.333 176.814 176.600 -0.199 0.000 1.070 173 K CA 0.247 56.469 56.287 -0.108 0.000 0.928 173 K CB 0.767 33.223 32.500 -0.072 0.000 1.039 173 K HN 0.837 nan 8.250 nan 0.000 0.480 174 T N -1.141 113.226 114.554 -0.311 0.000 2.975 174 T HA -0.004 4.346 4.350 -0.000 0.000 0.261 174 T C 0.496 174.665 174.700 -0.886 0.000 0.984 174 T CA -0.119 61.683 62.100 -0.496 0.000 0.911 174 T CB 0.289 69.010 68.868 -0.245 0.000 1.127 174 T HN 0.586 nan 8.240 nan 0.000 0.514 175 Q N 0.500 119.916 119.800 -0.640 0.000 2.261 175 Q HA 0.581 4.921 4.340 -0.000 0.000 0.252 175 Q C -1.383 174.245 176.000 -0.621 0.000 0.915 175 Q CA -0.644 54.834 55.803 -0.540 0.000 0.915 175 Q CB 0.551 29.147 28.738 -0.237 0.000 1.204 175 Q HN 0.450 nan 8.270 nan 0.000 0.421 176 F N 1.405 121.322 119.950 -0.054 0.000 2.594 176 F HA 0.480 5.006 4.527 -0.000 0.000 0.335 176 F C 0.054 175.800 175.800 -0.090 0.000 1.058 176 F CA -1.259 56.659 58.000 -0.137 0.000 0.981 176 F CB 1.476 40.256 39.000 -0.368 0.000 1.289 176 F HN 0.446 nan 8.300 nan 0.000 0.490 177 N N 0.766 119.504 118.700 0.062 0.000 2.443 177 N HA 0.287 5.027 4.740 -0.000 0.000 0.269 177 N C -1.554 173.720 175.510 -0.394 0.000 0.985 177 N CA -0.603 52.393 53.050 -0.089 0.000 0.921 177 N CB 1.004 39.477 38.487 -0.022 0.000 1.195 177 N HN 0.397 nan 8.380 nan 0.000 0.492 178 Y N 1.435 121.458 120.300 -0.461 0.000 2.376 178 Y HA 0.571 5.121 4.550 -0.000 0.000 0.325 178 Y C -0.198 175.179 175.900 -0.871 0.000 1.199 178 Y CA -0.315 57.502 58.100 -0.472 0.000 1.206 178 Y CB 1.003 39.306 38.460 -0.262 0.000 1.229 178 Y HN 0.323 nan 8.280 nan 0.000 0.480 179 F N 0.819 120.810 119.950 0.070 0.000 2.608 179 F HA 0.515 5.042 4.527 -0.000 0.000 0.309 179 F C -0.591 175.260 175.800 0.085 0.000 1.103 179 F CA -1.213 56.837 58.000 0.085 0.000 0.954 179 F CB 2.139 41.198 39.000 0.098 0.000 1.267 179 F HN 0.180 nan 8.300 nan 0.000 0.444 180 K N 2.173 122.796 120.400 0.372 0.000 2.464 180 K HA 0.551 4.871 4.320 -0.000 0.000 0.253 180 K C -1.637 175.174 176.600 0.351 0.000 0.933 180 K CA -0.846 55.629 56.287 0.313 0.000 0.801 180 K CB 2.067 34.645 32.500 0.130 0.000 1.271 180 K HN 0.640 nan 8.250 nan 0.000 0.430 181 K N 2.836 123.444 120.400 0.347 0.000 2.376 181 K HA 0.391 4.711 4.320 -0.000 0.000 0.257 181 K C -1.444 175.231 176.600 0.126 0.000 0.939 181 K CA -0.829 55.564 56.287 0.176 0.000 0.809 181 K CB 2.113 34.658 32.500 0.075 0.000 1.121 181 K HN 0.316 nan 8.250 nan 0.000 0.425 182 V N 3.831 123.789 119.914 0.074 0.000 2.376 182 V HA 0.147 4.267 4.120 -0.000 0.000 0.287 182 V C -0.437 175.675 176.094 0.030 0.000 1.015 182 V CA -0.700 61.633 62.300 0.054 0.000 0.834 182 V CB 1.270 33.121 31.823 0.047 0.000 1.001 182 V HN 0.887 nan 8.190 nan 0.000 0.428 183 D N 4.353 124.767 120.400 0.024 0.000 2.737 183 D HA -0.171 4.469 4.640 -0.000 0.000 0.243 183 D C 1.338 177.632 176.300 -0.010 0.000 1.109 183 D CA 1.383 55.388 54.000 0.008 0.000 0.702 183 D CB -1.084 39.721 40.800 0.009 0.000 1.068 183 D HN 1.342 nan 8.370 nan 0.000 0.432 184 G N -0.486 108.298 108.800 -0.027 0.000 2.270 184 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.268 184 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.268 184 G C 0.510 175.370 174.900 -0.067 0.000 0.982 184 G CA 0.605 45.666 45.100 -0.065 0.000 0.628 184 G HN 0.570 nan 8.290 nan 0.000 0.544 185 I N 1.840 122.391 120.570 -0.031 0.000 2.312 185 I HA 0.323 4.493 4.170 -0.000 0.000 0.291 185 I C 0.704 176.822 176.117 0.001 0.000 1.031 185 I CA -1.064 60.226 61.300 -0.016 0.000 1.293 185 I CB 0.779 38.779 38.000 0.001 0.000 1.403 185 I HN 0.014 nan 8.210 nan 0.000 0.484 186 I N 7.039 127.606 120.570 -0.004 0.000 2.826 186 I HA -0.088 4.081 4.170 -0.000 0.000 0.295 186 I C 0.649 176.809 176.117 0.072 0.000 1.213 186 I CA 0.655 61.984 61.300 0.048 0.000 1.436 186 I CB -0.241 37.788 38.000 0.048 0.000 1.348 186 I HN 0.508 nan 8.210 nan 0.000 0.570 187 Q N 4.509 124.372 119.800 0.104 0.000 2.241 187 Q HA 0.301 4.641 4.340 -0.000 0.000 0.262 187 Q C 0.831 176.884 176.000 0.088 0.000 1.014 187 Q CA -0.711 55.143 55.803 0.084 0.000 0.885 187 Q CB 1.361 30.145 28.738 0.076 0.000 1.311 187 Q HN 0.603 nan 8.270 nan 0.000 0.461 188 Q N 0.358 120.200 119.800 0.069 0.000 2.065 188 Q HA -0.210 4.130 4.340 -0.000 0.000 0.213 188 Q C 0.079 176.126 176.000 0.078 0.000 1.012 188 Q CA 1.835 57.678 55.803 0.066 0.000 0.876 188 Q CB -0.675 28.096 28.738 0.054 0.000 0.954 188 Q HN 0.554 nan 8.270 nan 0.000 0.413 189 L N -2.921 118.351 121.223 0.081 0.000 3.133 189 L HA -0.089 4.250 4.340 -0.000 0.000 0.697 189 L C -2.401 174.542 176.870 0.122 0.000 1.093 189 L CA -0.564 54.337 54.840 0.102 0.000 1.305 189 L CB -1.942 40.176 42.059 0.098 0.000 1.841 189 L HN 0.042 nan 8.230 nan 0.000 0.896 190 P HA 0.232 nan 4.420 nan 0.000 0.274 190 P C -0.174 177.142 177.300 0.026 0.000 1.260 190 P CA -0.092 63.053 63.100 0.074 0.000 0.793 190 P CB 0.624 32.367 31.700 0.073 0.000 1.048 191 E N -0.579 119.587 120.200 -0.056 0.000 2.301 191 E HA 0.390 4.740 4.350 -0.000 0.000 0.275 191 E C -0.492 175.932 176.600 -0.293 0.000 1.030 191 E CA -0.196 56.105 56.400 -0.165 0.000 0.852 191 E CB 0.835 30.438 29.700 -0.162 0.000 1.060 191 E HN 0.398 nan 8.360 nan 0.000 0.401 192 T N 1.325 115.565 114.554 -0.523 0.000 2.903 192 T HA 0.356 4.706 4.350 -0.000 0.000 0.299 192 T C -1.071 173.078 174.700 -0.918 0.000 1.093 192 T CA -0.776 60.892 62.100 -0.720 0.000 1.002 192 T CB 0.493 68.662 68.868 -1.166 0.000 1.127 192 T HN 0.231 nan 8.240 nan 0.000 0.488 193 Y N 0.261 120.206 120.300 -0.592 0.000 2.374 193 Y HA 0.661 5.210 4.550 -0.000 0.000 0.322 193 Y C -0.158 175.302 175.900 -0.734 0.000 1.275 193 Y CA -0.799 56.998 58.100 -0.504 0.000 1.307 193 Y CB 0.859 39.192 38.460 -0.212 0.000 1.282 193 Y HN 0.534 nan 8.280 nan 0.000 0.509 194 F N -0.397 119.599 119.950 0.077 0.000 2.546 194 F HA 0.404 4.931 4.527 -0.000 0.000 0.320 194 F C 0.099 175.927 175.800 0.047 0.000 1.076 194 F CA -1.228 56.780 58.000 0.014 0.000 0.928 194 F CB 1.863 40.851 39.000 -0.020 0.000 1.189 194 F HN 0.386 nan 8.300 nan 0.000 0.465 195 T N -0.902 113.799 114.554 0.246 0.000 2.899 195 T HA 0.107 4.457 4.350 -0.000 0.000 0.295 195 T C 0.603 175.385 174.700 0.138 0.000 1.033 195 T CA -0.764 61.423 62.100 0.144 0.000 1.084 195 T CB 1.270 70.204 68.868 0.109 0.000 0.979 195 T HN 0.476 nan 8.240 nan 0.000 0.532 196 Q N 0.332 120.194 119.800 0.103 0.000 2.331 196 Q HA 0.116 4.456 4.340 -0.000 0.000 0.203 196 Q C 0.572 176.617 176.000 0.076 0.000 0.944 196 Q CA 0.463 56.316 55.803 0.084 0.000 0.892 196 Q CB -0.194 28.588 28.738 0.074 0.000 0.983 196 Q HN 0.943 nan 8.270 nan 0.000 0.482 197 S N 0.811 116.566 115.700 0.091 0.000 3.884 197 S HA -0.146 4.324 4.470 -0.000 0.000 0.374 197 S C -0.348 174.308 174.600 0.093 0.000 0.971 197 S CA 0.368 58.623 58.200 0.091 0.000 1.152 197 S CB -1.044 62.204 63.200 0.079 0.000 0.877 197 S HN 0.340 nan 8.310 nan 0.000 0.491 198 R N 0.818 121.391 120.500 0.122 0.000 2.393 198 R HA 0.517 4.857 4.340 -0.000 0.000 0.315 198 R C 0.232 176.624 176.300 0.152 0.000 0.952 198 R CA 0.075 56.266 56.100 0.152 0.000 0.842 198 R CB 0.974 31.421 30.300 0.245 0.000 1.163 198 R HN 0.512 nan 8.270 nan 0.000 0.450 199 D N 2.075 122.545 120.400 0.117 0.000 2.400 199 D HA 0.005 4.645 4.640 -0.000 0.000 0.238 199 D C 1.003 177.356 176.300 0.089 0.000 1.157 199 D CA -0.343 53.700 54.000 0.071 0.000 0.889 199 D CB 0.815 41.653 40.800 0.063 0.000 1.199 199 D HN 0.416 nan 8.370 nan 0.000 0.436 200 L N 1.412 122.617 121.223 -0.030 0.000 2.072 200 L HA 0.120 4.460 4.340 -0.000 0.000 0.205 200 L C 2.971 179.853 176.870 0.020 0.000 1.079 200 L CA 2.875 57.669 54.840 -0.077 0.000 0.752 200 L CB -0.878 41.054 42.059 -0.211 0.000 0.906 200 L HN 0.788 nan 8.230 nan 0.000 0.436 201 E N 0.053 120.260 120.200 0.012 0.000 2.021 201 E HA -0.277 4.073 4.350 -0.000 0.000 0.200 201 E C 1.670 178.312 176.600 0.070 0.000 1.015 201 E CA 1.887 58.305 56.400 0.029 0.000 0.824 201 E CB -2.041 27.670 29.700 0.019 0.000 0.762 201 E HN 0.714 nan 8.360 nan 0.000 0.454 202 D N -0.507 119.940 120.400 0.078 0.000 2.652 202 D HA 0.408 5.048 4.640 -0.000 0.000 0.247 202 D C 0.050 176.410 176.300 0.100 0.000 1.232 202 D CA -0.302 53.740 54.000 0.070 0.000 0.863 202 D CB -1.125 39.701 40.800 0.042 0.000 1.023 202 D HN 0.386 nan 8.370 nan 0.000 0.474 203 F N 1.301 121.239 119.950 -0.020 0.000 2.472 203 F HA 0.379 4.906 4.527 -0.000 0.000 0.364 203 F C 0.441 176.235 175.800 -0.011 0.000 1.090 203 F CA -0.418 57.570 58.000 -0.019 0.000 1.188 203 F CB 0.819 39.802 39.000 -0.028 0.000 1.105 203 F HN -0.063 nan 8.300 nan 0.000 0.536 204 K N 7.863 127.877 120.400 -0.643 0.000 2.397 204 K HA 0.393 4.713 4.320 -0.000 0.000 0.253 204 K C -2.552 173.649 176.600 -0.665 0.000 0.932 204 K CA -1.939 54.068 56.287 -0.466 0.000 0.795 204 K CB 1.761 34.117 32.500 -0.240 0.000 1.159 204 K HN 0.334 nan 8.250 nan 0.000 0.424 205 P HA 0.110 nan 4.420 nan 0.000 0.272 205 P C -0.643 176.557 177.300 -0.167 0.000 1.230 205 P CA -0.353 62.599 63.100 -0.246 0.000 0.788 205 P CB 0.705 32.369 31.700 -0.060 0.000 0.949 206 R N 0.337 120.775 120.500 -0.104 0.000 2.688 206 R HA 0.372 4.712 4.340 -0.000 0.000 0.396 206 R C -0.273 176.017 176.300 -0.016 0.000 1.081 206 R CA -0.184 55.879 56.100 -0.062 0.000 1.093 206 R CB 0.313 30.573 30.300 -0.067 0.000 1.338 206 R HN 0.753 nan 8.270 nan 0.000 0.613 207 S N -1.975 113.727 115.700 0.004 0.000 2.688 207 S HA -0.016 4.454 4.470 -0.000 0.000 0.269 207 S C 0.227 174.864 174.600 0.062 0.000 1.060 207 S CA -0.834 57.385 58.200 0.031 0.000 0.844 207 S CB 1.492 64.709 63.200 0.029 0.000 1.095 207 S HN 0.013 nan 8.310 nan 0.000 0.466 208 Q N 0.731 120.583 119.800 0.088 0.000 2.061 208 Q HA -0.051 4.289 4.340 -0.000 0.000 0.204 208 Q C 1.987 178.105 176.000 0.197 0.000 0.984 208 Q CA 2.714 58.600 55.803 0.138 0.000 0.846 208 Q CB -0.459 28.372 28.738 0.155 0.000 0.902 208 Q HN 0.757 nan 8.270 nan 0.000 0.421 209 M N -0.186 119.505 119.600 0.151 0.000 2.065 209 M HA -0.225 4.254 4.480 -0.000 0.000 0.259 209 M C 1.736 178.138 176.300 0.169 0.000 1.069 209 M CA 2.016 57.364 55.300 0.080 0.000 1.110 209 M CB -0.149 32.340 32.600 -0.185 0.000 1.328 209 M HN 0.262 nan 8.290 nan 0.000 0.405 210 E N -0.882 119.375 120.200 0.095 0.000 2.118 210 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 210 E C 1.830 178.535 176.600 0.175 0.000 0.992 210 E CA 1.871 58.342 56.400 0.117 0.000 0.804 210 E CB -0.383 29.354 29.700 0.062 0.000 0.741 210 E HN 0.578 nan 8.360 nan 0.000 0.458 211 T N 1.749 116.389 114.554 0.145 0.000 2.652 211 T HA -0.155 4.194 4.350 -0.000 0.000 0.267 211 T C 1.428 176.239 174.700 0.185 0.000 1.039 211 T CA 1.628 63.810 62.100 0.137 0.000 1.153 211 T CB -0.321 68.612 68.868 0.108 0.000 0.863 211 T HN 0.152 nan 8.240 nan 0.000 0.428 212 D N 0.450 121.019 120.400 0.282 0.000 2.144 212 D HA -0.052 4.588 4.640 -0.000 0.000 0.199 212 D C 1.792 178.306 176.300 0.356 0.000 0.984 212 D CA 0.682 54.900 54.000 0.363 0.000 0.834 212 D CB -0.436 40.696 40.800 0.554 0.000 0.955 212 D HN 0.332 nan 8.370 nan 0.000 0.465 213 F N 1.378 121.395 119.950 0.112 0.000 2.161 213 F HA -0.175 4.351 4.527 -0.000 0.000 0.300 213 F C 1.920 177.665 175.800 -0.090 0.000 1.089 213 F CA 0.846 58.675 58.000 -0.285 0.000 1.282 213 F CB -0.110 38.530 39.000 -0.600 0.000 1.010 213 F HN -0.161 nan 8.300 nan 0.000 0.485 214 L N 0.228 121.414 121.223 -0.062 0.000 2.044 214 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 214 L C 2.408 179.227 176.870 -0.086 0.000 1.075 214 L CA 1.775 56.550 54.840 -0.107 0.000 0.747 214 L CB -1.180 40.905 42.059 0.043 0.000 0.903 214 L HN 0.072 nan 8.230 nan 0.000 0.435 215 E N -0.866 119.338 120.200 0.006 0.000 2.028 215 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 215 E C 0.314 176.926 176.600 0.021 0.000 0.988 215 E CA 0.455 56.871 56.400 0.026 0.000 0.799 215 E CB 0.011 29.754 29.700 0.072 0.000 0.755 215 E HN 0.057 nan 8.360 nan 0.000 0.447 216 L N 0.858 122.125 121.223 0.073 0.000 2.426 216 L HA 0.205 4.545 4.340 -0.000 0.000 0.271 216 L C 0.256 177.151 176.870 0.041 0.000 1.169 216 L CA 0.064 54.968 54.840 0.107 0.000 0.836 216 L CB 0.767 42.981 42.059 0.258 0.000 1.112 216 L HN 0.070 nan 8.230 nan 0.000 0.465 217 A N 4.011 126.852 122.820 0.036 0.000 2.475 217 A HA 0.099 4.419 4.320 -0.000 0.000 0.239 217 A C 1.495 179.078 177.584 -0.002 0.000 1.087 217 A CA 0.014 52.044 52.037 -0.011 0.000 0.779 217 A CB 0.012 19.008 19.000 -0.006 0.000 1.036 217 A HN 0.896 nan 8.150 nan 0.000 0.506 218 M N -0.357 119.174 119.600 -0.115 0.000 2.103 218 M HA -0.224 4.256 4.480 -0.000 0.000 0.255 218 M C 1.084 177.369 176.300 -0.025 0.000 1.074 218 M CA 2.328 57.474 55.300 -0.258 0.000 1.090 218 M CB -0.578 31.764 32.600 -0.430 0.000 1.325 218 M HN 0.801 nan 8.290 nan 0.000 0.403 219 D N -0.301 120.115 120.400 0.026 0.000 2.194 219 D HA -0.066 4.574 4.640 -0.000 0.000 0.204 219 D C 1.860 178.260 176.300 0.168 0.000 0.964 219 D CA 0.917 54.979 54.000 0.104 0.000 0.846 219 D CB -0.049 40.786 40.800 0.058 0.000 0.962 219 D HN 0.387 nan 8.370 nan 0.000 0.490 220 E N -0.609 119.687 120.200 0.160 0.000 2.106 220 E HA -0.144 4.205 4.350 -0.000 0.000 0.192 220 E C 1.731 178.473 176.600 0.236 0.000 0.984 220 E CA 0.294 56.790 56.400 0.160 0.000 0.806 220 E CB -0.097 29.679 29.700 0.127 0.000 0.750 220 E HN 0.214 nan 8.360 nan 0.000 0.458 221 F N 1.257 121.336 119.950 0.215 0.000 2.126 221 F HA -0.207 4.319 4.527 -0.000 0.000 0.299 221 F C 1.888 177.878 175.800 0.315 0.000 1.096 221 F CA 1.288 59.485 58.000 0.329 0.000 1.255 221 F CB -0.061 39.214 39.000 0.458 0.000 0.997 221 F HN -0.059 nan 8.300 nan 0.000 0.479 222 I N 0.253 121.033 120.570 0.350 0.000 2.179 222 I HA -0.346 3.824 4.170 -0.000 0.000 0.242 222 I C 2.535 178.706 176.117 0.090 0.000 1.088 222 I CA 1.758 63.205 61.300 0.246 0.000 1.357 222 I CB -0.667 37.560 38.000 0.378 0.000 1.051 222 I HN 0.268 nan 8.210 nan 0.000 0.409 223 Q N 1.202 121.047 119.800 0.075 0.000 2.079 223 Q HA -0.246 4.094 4.340 -0.000 0.000 0.200 223 Q C 2.117 178.074 176.000 -0.071 0.000 0.974 223 Q CA 1.588 57.401 55.803 0.017 0.000 0.840 223 Q CB -0.471 28.283 28.738 0.026 0.000 0.898 223 Q HN 0.281 nan 8.270 nan 0.000 0.430 224 R N 0.060 120.479 120.500 -0.135 0.000 2.070 224 R HA -0.132 4.208 4.340 -0.000 0.000 0.233 224 R C 0.634 176.628 176.300 -0.510 0.000 1.137 224 R CA 1.594 57.501 56.100 -0.322 0.000 0.945 224 R CB -0.575 29.506 30.300 -0.364 0.000 0.845 224 R HN 0.495 nan 8.270 nan 0.000 0.430 225 Y N 2.095 122.188 120.300 -0.344 0.000 2.718 225 Y HA 0.181 4.730 4.550 -0.000 0.000 0.322 225 Y C -0.348 175.414 175.900 -0.230 0.000 1.122 225 Y CA -0.450 57.441 58.100 -0.348 0.000 1.348 225 Y CB -0.359 37.739 38.460 -0.603 0.000 1.174 225 Y HN 0.090 nan 8.280 nan 0.000 0.523 226 K N 0.862 121.223 120.400 -0.065 0.000 4.748 226 K HA -0.212 4.108 4.320 -0.000 0.000 0.277 226 K C -0.388 176.233 176.600 0.036 0.000 0.718 226 K CA 1.064 57.351 56.287 0.000 0.000 0.750 226 K CB -1.670 30.834 32.500 0.006 0.000 2.012 226 K HN 0.711 nan 8.250 nan 0.000 0.392 227 L N -1.197 120.053 121.223 0.045 0.000 3.165 227 L HA 0.399 4.739 4.340 -0.000 0.000 0.327 227 L C -0.375 176.662 176.870 0.278 0.000 1.294 227 L CA -0.962 53.932 54.840 0.089 0.000 0.838 227 L CB 0.685 42.552 42.059 -0.319 0.000 1.274 227 L HN 0.388 nan 8.230 nan 0.000 0.590 228 E N 1.026 121.388 120.200 0.269 0.000 2.313 228 E HA 0.477 4.827 4.350 -0.000 0.000 0.276 228 E C 1.051 177.788 176.600 0.228 0.000 1.031 228 E CA 0.622 57.189 56.400 0.278 0.000 0.857 228 E CB 0.966 30.773 29.700 0.179 0.000 1.040 228 E HN 0.595 nan 8.360 nan 0.000 0.408 229 G N 2.849 111.788 108.800 0.231 0.000 2.182 229 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.248 229 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.248 229 G C -0.750 174.153 174.900 0.005 0.000 1.042 229 G CA 0.303 45.459 45.100 0.093 0.000 0.775 229 G HN 0.448 nan 8.290 nan 0.000 0.501 230 Y N -1.404 119.054 120.300 0.264 0.000 2.699 230 Y HA 0.710 5.259 4.550 -0.000 0.000 0.326 230 Y C 1.567 177.682 175.900 0.357 0.000 1.141 230 Y CA 0.133 58.396 58.100 0.271 0.000 1.246 230 Y CB 0.975 39.569 38.460 0.224 0.000 1.426 230 Y HN 0.164 nan 8.280 nan 0.000 0.559 231 A N 0.694 123.839 122.820 0.541 0.000 1.838 231 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 231 A C 1.756 179.525 177.584 0.307 0.000 1.273 231 A CA 1.334 53.590 52.037 0.365 0.000 0.602 231 A CB -1.387 17.785 19.000 0.288 0.000 0.934 231 A HN 1.078 nan 8.150 nan 0.000 0.461 232 F N 0.697 120.756 119.950 0.181 0.000 2.143 232 F HA -0.433 4.094 4.527 -0.000 0.000 0.286 232 F C 1.187 177.058 175.800 0.119 0.000 0.926 232 F CA 2.368 60.467 58.000 0.166 0.000 1.395 232 F CB -1.492 37.593 39.000 0.141 0.000 1.114 232 F HN 0.488 nan 8.300 nan 0.000 0.414 233 E N 0.164 119.838 120.200 -0.876 0.000 2.026 233 E HA -0.372 3.978 4.350 -0.000 0.000 0.206 233 E C 2.142 178.549 176.600 -0.323 0.000 1.028 233 E CA 1.929 57.886 56.400 -0.738 0.000 0.845 233 E CB -0.579 28.877 29.700 -0.407 0.000 0.772 233 E HN 0.850 nan 8.360 nan 0.000 0.462 234 H N 0.396 119.189 119.070 -0.461 0.000 2.290 234 H HA -0.134 4.422 4.556 -0.000 0.000 0.298 234 H C 2.232 177.315 175.328 -0.408 0.000 1.087 234 H CA 2.395 58.113 56.048 -0.550 0.000 1.291 234 H CB -0.464 28.552 29.762 -1.244 0.000 1.369 234 H HN 0.407 nan 8.280 nan 0.000 0.492 235 I N -1.329 118.962 120.570 -0.465 0.000 2.756 235 I HA -0.074 4.096 4.170 -0.000 0.000 0.262 235 I C 1.553 177.524 176.117 -0.242 0.000 1.225 235 I CA 1.006 62.093 61.300 -0.354 0.000 1.472 235 I CB -0.205 37.713 38.000 -0.137 0.000 1.094 235 I HN 0.164 nan 8.210 nan 0.000 0.454 236 V N -0.218 119.531 119.914 -0.276 0.000 3.174 236 V HA -0.030 4.090 4.120 -0.000 0.000 0.254 236 V C 1.623 177.488 176.094 -0.381 0.000 1.120 236 V CA 1.233 63.307 62.300 -0.376 0.000 1.114 236 V CB -0.392 31.178 31.823 -0.422 0.000 0.756 236 V HN 0.443 nan 8.190 nan 0.000 0.467 237 Y N 0.011 120.251 120.300 -0.100 0.000 2.589 237 Y HA 0.598 5.147 4.550 -0.000 0.000 0.271 237 Y C 1.140 176.947 175.900 -0.153 0.000 1.107 237 Y CA 0.079 58.127 58.100 -0.086 0.000 1.273 237 Y CB 0.748 39.175 38.460 -0.054 0.000 1.266 237 Y HN 0.193 nan 8.280 nan 0.000 0.504 238 G N 1.114 109.842 108.800 -0.121 0.000 2.535 238 G HA2 0.227 4.187 3.960 -0.000 0.000 0.662 238 G HA3 0.227 4.187 3.960 -0.000 0.000 0.662 238 G C -1.920 172.929 174.900 -0.085 0.000 1.417 238 G CA -0.591 44.410 45.100 -0.166 0.000 0.866 238 G HN 0.110 nan 8.290 nan 0.000 0.647 239 D N 0.395 120.784 120.400 -0.018 0.000 2.419 239 D HA 0.692 5.332 4.640 -0.000 0.000 0.234 239 D C 0.513 176.925 176.300 0.187 0.000 1.014 239 D CA -1.044 53.072 54.000 0.193 0.000 0.919 239 D CB 2.127 43.214 40.800 0.478 0.000 1.366 239 D HN 0.317 nan 8.370 nan 0.000 0.490 240 F N 1.548 121.563 119.950 0.109 0.000 2.208 240 F HA 0.152 4.679 4.527 -0.000 0.000 0.282 240 F C 1.219 177.089 175.800 0.116 0.000 1.071 240 F CA 0.463 58.514 58.000 0.085 0.000 1.228 240 F CB -0.349 38.689 39.000 0.064 0.000 1.088 240 F HN 0.358 nan 8.300 nan 0.000 0.512 247 G N 0.252 109.127 108.800 0.124 0.000 3.247 247 G HA2 0.652 4.612 3.960 -0.000 0.000 0.163 247 G HA3 0.652 4.612 3.960 -0.000 0.000 0.163 247 G C -0.111 174.762 174.900 -0.046 0.000 1.206 247 G CA -0.924 44.223 45.100 0.078 0.000 0.918 247 G HN 0.716 nan 8.290 nan 0.000 0.625 248 L N 0.375 121.560 121.223 -0.063 0.000 2.417 248 L HA 0.430 4.770 4.340 -0.000 0.000 0.268 248 L C -0.356 176.274 176.870 -0.400 0.000 1.158 248 L CA -0.251 54.503 54.840 -0.143 0.000 0.819 248 L CB 0.913 42.907 42.059 -0.108 0.000 1.112 248 L HN 0.516 nan 8.230 nan 0.000 0.458 249 H N 1.784 120.801 119.070 -0.088 0.000 2.821 249 H HA 0.479 5.035 4.556 -0.000 0.000 0.373 249 H C -0.717 174.474 175.328 -0.228 0.000 1.165 249 H CA -0.756 55.194 56.048 -0.164 0.000 1.154 249 H CB 1.997 31.669 29.762 -0.150 0.000 1.765 249 H HN 0.441 nan 8.280 nan 0.000 0.549 250 L N 0.457 121.565 121.223 -0.192 0.000 2.334 250 L HA 0.418 4.758 4.340 -0.000 0.000 0.275 250 L C 0.863 177.581 176.870 -0.253 0.000 1.036 250 L CA -1.047 53.613 54.840 -0.299 0.000 0.807 250 L CB 1.350 43.073 42.059 -0.559 0.000 1.231 250 L HN 0.676 nan 8.230 nan 0.000 0.438 251 M N 2.960 122.422 119.600 -0.230 0.000 2.082 251 M HA -0.212 4.268 4.480 -0.000 0.000 0.258 251 M C 1.762 177.803 176.300 -0.433 0.000 1.071 251 M CA 2.371 57.502 55.300 -0.282 0.000 1.103 251 M CB -0.522 31.965 32.600 -0.188 0.000 1.307 251 M HN 0.851 nan 8.290 nan 0.000 0.409 252 I N -0.574 119.788 120.570 -0.347 0.000 2.264 252 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 252 I C 2.035 178.083 176.117 -0.114 0.000 1.111 252 I CA 1.747 62.875 61.300 -0.287 0.000 1.382 252 I CB -0.789 37.244 38.000 0.055 0.000 1.060 252 I HN 0.461 nan 8.210 nan 0.000 0.418 253 G N 0.931 109.647 108.800 -0.140 0.000 2.476 253 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 253 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 253 G C 1.473 176.315 174.900 -0.097 0.000 1.164 253 G CA 0.886 45.965 45.100 -0.036 0.000 0.768 253 G HN 0.353 nan 8.290 nan 0.000 0.560 254 L N 1.160 122.257 121.223 -0.210 0.000 2.201 254 L HA 0.156 4.496 4.340 -0.000 0.000 0.212 254 L C 3.194 179.915 176.870 -0.248 0.000 1.105 254 L CA 1.474 56.169 54.840 -0.241 0.000 0.775 254 L CB -0.602 41.292 42.059 -0.275 0.000 0.913 254 L HN 0.290 nan 8.230 nan 0.000 0.440 255 A N -0.805 121.812 122.820 -0.339 0.000 1.873 255 A HA -0.244 4.076 4.320 -0.000 0.000 0.215 255 A C 2.421 179.911 177.584 -0.155 0.000 1.186 255 A CA 1.778 53.614 52.037 -0.335 0.000 0.616 255 A CB -0.468 18.138 19.000 -0.657 0.000 0.823 255 A HN 0.346 nan 8.150 nan 0.000 0.442 256 K N -0.970 119.362 120.400 -0.115 0.000 2.147 256 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 256 K C 2.146 178.678 176.600 -0.112 0.000 1.049 256 K CA 0.846 57.054 56.287 -0.131 0.000 0.936 256 K CB -0.111 32.228 32.500 -0.267 0.000 0.722 256 K HN 0.192 nan 8.250 nan 0.000 0.446 257 R N 0.292 120.732 120.500 -0.101 0.000 2.148 257 R HA -0.034 4.306 4.340 -0.000 0.000 0.223 257 R C 2.046 178.293 176.300 -0.088 0.000 1.088 257 R CA 1.454 57.500 56.100 -0.090 0.000 0.985 257 R CB -0.040 30.198 30.300 -0.104 0.000 0.880 257 R HN 0.310 nan 8.270 nan 0.000 0.451 258 S N -1.339 114.303 115.700 -0.097 0.000 2.539 258 S HA 0.012 4.482 4.470 -0.000 0.000 0.221 258 S C 1.511 176.075 174.600 -0.060 0.000 0.987 258 S CA -0.258 57.894 58.200 -0.079 0.000 0.929 258 S CB 0.386 63.531 63.200 -0.092 0.000 0.832 258 S HN 0.202 nan 8.310 nan 0.000 0.492 259 Q N 1.904 121.667 119.800 -0.061 0.000 2.561 259 Q HA -0.025 4.315 4.340 -0.000 0.000 0.217 259 Q C -0.625 175.350 176.000 -0.041 0.000 0.980 259 Q CA 0.938 56.715 55.803 -0.043 0.000 0.927 259 Q CB -0.073 28.634 28.738 -0.050 0.000 0.980 259 Q HN 0.850 nan 8.270 nan 0.000 0.525 260 D N -3.183 117.190 120.400 -0.045 0.000 2.663 260 D HA 0.003 4.643 4.640 -0.000 0.000 0.233 260 D C -0.916 175.361 176.300 -0.039 0.000 1.240 260 D CA -0.512 53.466 54.000 -0.038 0.000 0.774 260 D CB 0.576 41.353 40.800 -0.038 0.000 1.443 260 D HN -0.123 nan 8.370 nan 0.000 0.441 261 S N 0.440 116.121 115.700 -0.032 0.000 3.572 261 S HA -0.109 4.361 4.470 -0.000 0.000 0.394 261 S C -2.387 172.192 174.600 -0.036 0.000 0.923 261 S CA -0.176 58.006 58.200 -0.030 0.000 1.291 261 S CB -1.382 61.800 63.200 -0.030 0.000 0.914 261 S HN 0.505 nan 8.310 nan 0.000 0.545 262 P HA 0.176 nan 4.420 nan 0.000 0.266 262 P C -0.301 176.973 177.300 -0.043 0.000 1.180 262 P CA 0.287 63.364 63.100 -0.038 0.000 0.765 262 P CB 0.389 32.072 31.700 -0.029 0.000 0.806 263 L N 2.381 123.570 121.223 -0.056 0.000 2.386 263 L HA 0.500 4.840 4.340 -0.000 0.000 0.271 263 L C 0.240 177.073 176.870 -0.061 0.000 0.993 263 L CA -0.590 54.214 54.840 -0.061 0.000 0.819 263 L CB 2.049 44.057 42.059 -0.085 0.000 1.294 263 L HN 0.202 nan 8.230 nan 0.000 0.414 264 K N 4.823 125.197 120.400 -0.043 0.000 2.270 264 K HA 0.787 5.106 4.320 -0.000 0.000 0.255 264 K C -1.475 175.115 176.600 -0.018 0.000 0.936 264 K CA -0.557 55.710 56.287 -0.033 0.000 0.809 264 K CB 1.928 34.419 32.500 -0.015 0.000 1.131 264 K HN 0.676 nan 8.250 nan 0.000 0.427 265 L N 0.749 121.956 121.223 -0.027 0.000 2.409 265 L HA 0.720 5.060 4.340 -0.000 0.000 0.255 265 L C -1.459 175.461 176.870 0.084 0.000 1.027 265 L CA -0.794 54.057 54.840 0.018 0.000 0.834 265 L CB 2.284 44.261 42.059 -0.136 0.000 1.426 265 L HN 0.711 nan 8.230 nan 0.000 0.411 266 E N -0.102 120.277 120.200 0.297 0.000 2.388 266 E HA 0.207 4.557 4.350 -0.000 0.000 0.281 266 E C -1.870 175.023 176.600 0.488 0.000 1.046 266 E CA -0.653 55.965 56.400 0.364 0.000 0.825 266 E CB 1.054 30.884 29.700 0.217 0.000 1.243 266 E HN 0.687 nan 8.360 nan 0.000 0.438 267 D N 2.118 122.739 120.400 0.368 0.000 2.570 267 D HA -0.013 4.627 4.640 -0.000 0.000 0.243 267 D C 0.546 176.989 176.300 0.237 0.000 1.171 267 D CA 0.096 54.187 54.000 0.151 0.000 0.879 267 D CB -0.075 40.787 40.800 0.104 0.000 1.143 267 D HN 0.329 nan 8.370 nan 0.000 0.511 268 F N 3.649 123.589 119.950 -0.016 0.000 2.084 268 F HA 0.006 4.533 4.527 -0.000 0.000 0.296 268 F C 0.815 176.624 175.800 0.015 0.000 1.111 268 F CA 0.804 58.827 58.000 0.037 0.000 1.224 268 F CB -0.078 38.815 39.000 -0.178 0.000 0.991 268 F HN 0.399 nan 8.300 nan 0.000 0.471 269 I N -1.454 119.052 120.570 -0.106 0.000 2.740 269 I HA 0.422 4.592 4.170 -0.000 0.000 0.303 269 I C -2.527 173.541 176.117 -0.082 0.000 1.044 269 I CA -2.326 58.873 61.300 -0.169 0.000 1.064 269 I CB 2.058 39.891 38.000 -0.279 0.000 1.249 269 I HN -0.180 nan 8.210 nan 0.000 0.433 270 P HA 0.310 nan 4.420 nan 0.000 0.209 270 P C -0.645 176.639 177.300 -0.028 0.000 1.843 270 P CA -0.160 62.931 63.100 -0.015 0.000 0.985 270 P CB 0.355 32.060 31.700 0.007 0.000 1.904 271 M N 0.666 120.238 119.600 -0.047 0.000 2.336 271 M HA 0.374 4.854 4.480 -0.000 0.000 0.256 271 M C 0.034 176.328 176.300 -0.010 0.000 1.176 271 M CA -0.285 54.992 55.300 -0.039 0.000 0.948 271 M CB 0.307 32.872 32.600 -0.059 0.000 1.393 271 M HN -0.024 nan 8.290 nan 0.000 0.528 272 D N 0.373 120.774 120.400 0.002 0.000 2.620 272 D HA 0.504 5.144 4.640 -0.000 0.000 0.252 272 D C -1.512 174.801 176.300 0.022 0.000 1.207 272 D CA -0.026 53.991 54.000 0.027 0.000 0.884 272 D CB 1.064 41.897 40.800 0.054 0.000 1.262 272 D HN 0.571 nan 8.370 nan 0.000 0.552 273 S N 1.037 116.748 115.700 0.019 0.000 2.588 273 S HA 0.394 4.864 4.470 -0.000 0.000 0.275 273 S C 0.856 175.475 174.600 0.031 0.000 1.130 273 S CA -0.716 57.494 58.200 0.017 0.000 0.855 273 S CB 1.527 64.720 63.200 -0.011 0.000 1.116 273 S HN 0.225 nan 8.310 nan 0.000 0.472 274 T N 0.752 115.327 114.554 0.035 0.000 2.833 274 T HA 0.033 4.383 4.350 -0.000 0.000 0.269 274 T C 0.470 175.175 174.700 0.009 0.000 1.054 274 T CA 1.212 63.333 62.100 0.036 0.000 1.135 274 T CB -0.189 68.702 68.868 0.038 0.000 0.869 274 T HN 0.563 nan 8.240 nan 0.000 0.466 275 V N 1.412 121.321 119.914 -0.008 0.000 2.443 275 V HA 0.693 4.813 4.120 -0.000 0.000 0.293 275 V C -0.049 176.027 176.094 -0.030 0.000 1.021 275 V CA -1.093 61.192 62.300 -0.025 0.000 0.848 275 V CB 1.176 32.970 31.823 -0.048 0.000 0.998 275 V HN 0.311 nan 8.190 nan 0.000 0.424 276 K N 2.838 123.219 120.400 -0.031 0.000 2.318 276 K HA 0.700 5.020 4.320 -0.000 0.000 0.249 276 K C -0.404 176.075 176.600 -0.202 0.000 0.942 276 K CA -0.869 55.335 56.287 -0.138 0.000 0.808 276 K CB 1.344 33.724 32.500 -0.199 0.000 1.189 276 K HN 0.682 nan 8.250 nan 0.000 0.428 277 N N 0.775 119.305 118.700 -0.283 0.000 2.509 277 N HA 0.518 5.258 4.740 -0.000 0.000 0.287 277 N C -1.204 174.042 175.510 -0.439 0.000 1.121 277 N CA -0.052 52.865 53.050 -0.222 0.000 0.977 277 N CB 1.016 39.440 38.487 -0.106 0.000 1.167 277 N HN 0.611 nan 8.380 nan 0.000 0.476 278 Y N -0.065 120.208 120.300 -0.045 0.000 2.524 278 Y HA 0.344 4.893 4.550 -0.000 0.000 0.347 278 Y C -0.545 175.285 175.900 -0.117 0.000 1.005 278 Y CA -0.862 57.222 58.100 -0.027 0.000 1.025 278 Y CB 1.646 40.106 38.460 0.001 0.000 1.275 278 Y HN 0.387 nan 8.280 nan 0.000 0.460 279 F N 3.511 123.535 119.950 0.123 0.000 2.404 279 F HA 0.340 4.867 4.527 -0.000 0.000 0.359 279 F C -0.387 175.421 175.800 0.012 0.000 1.134 279 F CA -0.349 57.642 58.000 -0.016 0.000 1.160 279 F CB 0.214 39.169 39.000 -0.076 0.000 1.186 279 F HN 0.221 nan 8.300 nan 0.000 0.526 280 I N 3.820 124.499 120.570 0.183 0.000 2.312 280 I HA 0.260 4.430 4.170 -0.000 0.000 0.291 280 I C -0.161 175.990 176.117 0.056 0.000 1.031 280 I CA 0.375 61.718 61.300 0.073 0.000 1.293 280 I CB 1.171 39.168 38.000 -0.005 0.000 1.403 280 I HN 0.407 nan 8.210 nan 0.000 0.484 281 T N 5.307 119.877 114.554 0.027 0.000 3.578 281 T HA 0.409 4.759 4.350 -0.000 0.000 0.329 281 T C -1.127 173.566 174.700 -0.011 0.000 0.913 281 T CA -0.533 61.570 62.100 0.004 0.000 1.029 281 T CB 0.669 69.530 68.868 -0.012 0.000 1.045 281 T HN 0.716 nan 8.240 nan 0.000 0.460 288 S N 0.802 116.520 115.700 0.030 0.000 2.622 288 S HA 0.730 5.199 4.470 -0.000 0.000 0.275 288 S C -0.031 174.582 174.600 0.021 0.000 1.112 288 S CA -0.217 58.002 58.200 0.031 0.000 0.837 288 S CB 1.002 64.225 63.200 0.038 0.000 1.082 288 S HN 0.818 nan 8.310 nan 0.000 0.456 289 K N -1.084 119.315 120.400 -0.002 0.000 2.511 289 K HA 0.556 4.875 4.320 -0.000 0.000 0.206 289 K C 1.220 177.754 176.600 -0.111 0.000 1.333 289 K CA 1.051 57.302 56.287 -0.060 0.000 0.957 289 K CB -0.575 31.893 32.500 -0.055 0.000 1.172 289 K HN 1.183 nan 8.250 nan 0.000 0.547 290 C N -1.704 117.554 119.300 -0.070 0.000 3.623 290 C HA 0.373 4.833 4.460 -0.000 0.000 0.534 290 C C 0.407 175.372 174.990 -0.042 0.000 1.188 290 C CA 0.081 59.099 59.018 -0.000 0.000 2.519 290 C CB 0.431 28.205 27.740 0.057 0.000 3.439 290 C HN 0.124 nan 8.230 nan 0.000 0.447 291 V N 1.951 121.789 119.914 -0.126 0.000 2.304 291 V HA 0.398 4.518 4.120 -0.000 0.000 0.269 291 V C -0.375 175.675 176.094 -0.072 0.000 1.036 291 V CA 0.008 62.181 62.300 -0.212 0.000 0.840 291 V CB 0.076 31.705 31.823 -0.323 0.000 1.036 291 V HN 0.648 nan 8.190 nan 0.000 0.466 292 C N 3.233 122.530 119.300 -0.005 0.000 2.411 292 C HA 0.564 5.024 4.460 -0.000 0.000 0.330 292 C C 0.930 175.966 174.990 0.076 0.000 1.224 292 C CA -0.379 58.688 59.018 0.082 0.000 1.770 292 C CB 1.783 29.612 27.740 0.148 0.000 2.297 292 C HN 0.814 nan 8.230 nan 0.000 0.507 293 S N 1.775 117.513 115.700 0.062 0.000 2.499 293 S HA 0.474 4.944 4.470 -0.000 0.000 0.275 293 S C -0.289 174.350 174.600 0.065 0.000 1.257 293 S CA -0.380 57.841 58.200 0.035 0.000 1.050 293 S CB 0.575 63.774 63.200 -0.001 0.000 0.937 293 S HN 0.525 nan 8.310 nan 0.000 0.490 294 V N 4.661 124.633 119.914 0.096 0.000 2.680 294 V HA 0.577 4.697 4.120 -0.000 0.000 0.309 294 V C -0.350 175.759 176.094 0.024 0.000 1.052 294 V CA -0.765 61.584 62.300 0.083 0.000 0.908 294 V CB 1.851 33.770 31.823 0.160 0.000 1.001 294 V HN 0.837 nan 8.190 nan 0.000 0.431 295 I N 2.439 122.972 120.570 -0.063 0.000 2.466 295 I HA 0.503 4.673 4.170 -0.000 0.000 0.289 295 I C -1.103 174.955 176.117 -0.098 0.000 1.026 295 I CA -0.359 60.887 61.300 -0.090 0.000 1.078 295 I CB 1.888 39.778 38.000 -0.184 0.000 1.249 295 I HN 0.706 nan 8.210 nan 0.000 0.429 296 D N 8.157 128.538 120.400 -0.033 0.000 2.468 296 D HA 0.373 5.013 4.640 -0.000 0.000 0.218 296 D C -1.096 175.201 176.300 -0.005 0.000 1.155 296 D CA 0.077 54.071 54.000 -0.010 0.000 0.924 296 D CB 0.373 41.209 40.800 0.060 0.000 1.029 296 D HN 0.397 nan 8.370 nan 0.000 0.515 297 L N 3.109 124.294 121.223 -0.064 0.000 2.325 297 L HA 0.391 4.730 4.340 -0.000 0.000 0.278 297 L C -0.030 176.828 176.870 -0.019 0.000 1.023 297 L CA -1.552 53.267 54.840 -0.035 0.000 0.811 297 L CB 1.694 43.710 42.059 -0.072 0.000 1.249 297 L HN 0.329 nan 8.230 nan 0.000 0.431 298 L N 2.571 123.813 121.223 0.031 0.000 2.499 298 L HA 0.037 4.377 4.340 -0.000 0.000 0.273 298 L C 0.863 177.737 176.870 0.006 0.000 1.195 298 L CA 0.585 55.442 54.840 0.029 0.000 0.882 298 L CB 0.327 42.419 42.059 0.056 0.000 1.133 298 L HN 0.619 nan 8.230 nan 0.000 0.483 299 L N 2.485 123.685 121.223 -0.037 0.000 1.956 299 L HA -0.246 4.094 4.340 -0.000 0.000 0.216 299 L C 1.783 178.649 176.870 -0.007 0.000 1.073 299 L CA 2.205 57.002 54.840 -0.073 0.000 0.762 299 L CB -0.304 41.654 42.059 -0.168 0.000 0.889 299 L HN 0.842 nan 8.230 nan 0.000 0.433 300 D N -0.242 120.145 120.400 -0.022 0.000 2.191 300 D HA -0.251 4.389 4.640 -0.000 0.000 0.195 300 D C 1.682 177.998 176.300 0.026 0.000 1.003 300 D CA 1.630 55.619 54.000 -0.018 0.000 0.867 300 D CB -0.260 40.538 40.800 -0.003 0.000 0.926 300 D HN 0.371 nan 8.370 nan 0.000 0.450 301 D N -0.819 119.627 120.400 0.076 0.000 2.084 301 D HA -0.107 4.532 4.640 -0.000 0.000 0.196 301 D C 1.682 177.959 176.300 -0.039 0.000 0.985 301 D CA 0.443 54.533 54.000 0.149 0.000 0.826 301 D CB -0.518 40.429 40.800 0.246 0.000 0.978 301 D HN 0.196 nan 8.370 nan 0.000 0.456 302 F N 1.032 120.859 119.950 -0.205 0.000 2.216 302 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 302 F C 2.075 177.768 175.800 -0.178 0.000 1.085 302 F CA 0.850 58.714 58.000 -0.228 0.000 1.326 302 F CB -0.065 38.820 39.000 -0.192 0.000 1.027 302 F HN -0.209 nan 8.300 nan 0.000 0.497 303 V N 1.121 120.975 119.914 -0.101 0.000 2.379 303 V HA -0.280 3.840 4.120 -0.000 0.000 0.245 303 V C 2.363 178.297 176.094 -0.266 0.000 1.044 303 V CA 2.091 64.260 62.300 -0.217 0.000 1.036 303 V CB -0.703 31.034 31.823 -0.143 0.000 0.664 303 V HN 0.540 nan 8.190 nan 0.000 0.453 304 E N -0.069 120.040 120.200 -0.151 0.000 2.333 304 E HA -0.205 4.145 4.350 -0.000 0.000 0.198 304 E C 2.007 178.526 176.600 -0.133 0.000 1.007 304 E CA 1.419 57.758 56.400 -0.101 0.000 0.845 304 E CB -0.270 29.438 29.700 0.014 0.000 0.766 304 E HN 0.621 nan 8.360 nan 0.000 0.507 305 I N 0.723 121.140 120.570 -0.254 0.000 2.235 305 I HA -0.188 3.982 4.170 -0.000 0.000 0.241 305 I C 2.322 178.233 176.117 -0.343 0.000 1.085 305 I CA 0.773 61.892 61.300 -0.302 0.000 1.378 305 I CB -0.086 37.654 38.000 -0.435 0.000 1.076 305 I HN 0.137 nan 8.210 nan 0.000 0.415 306 I N 0.697 120.964 120.570 -0.505 0.000 2.118 306 I HA -0.358 3.812 4.170 -0.000 0.000 0.241 306 I C 2.237 178.115 176.117 -0.399 0.000 1.070 306 I CA 1.684 62.723 61.300 -0.435 0.000 1.327 306 I CB -0.514 37.171 38.000 -0.524 0.000 1.034 306 I HN 0.122 nan 8.210 nan 0.000 0.405 307 K N 0.572 120.696 120.400 -0.460 0.000 2.442 307 K HA -0.062 4.257 4.320 -0.000 0.000 0.198 307 K C 1.709 178.255 176.600 -0.089 0.000 1.042 307 K CA 1.294 57.344 56.287 -0.395 0.000 0.958 307 K CB -0.135 32.174 32.500 -0.318 0.000 0.766 307 K HN 0.419 nan 8.250 nan 0.000 0.474 308 S N 0.481 116.132 115.700 -0.081 0.000 2.743 308 S HA 0.072 4.542 4.470 -0.000 0.000 0.230 308 S C 0.227 174.836 174.600 0.014 0.000 0.950 308 S CA -0.234 57.955 58.200 -0.018 0.000 0.976 308 S CB 0.264 63.449 63.200 -0.025 0.000 0.779 308 S HN 0.044 nan 8.310 nan 0.000 0.487 309 Q N 2.888 122.730 119.800 0.070 0.000 3.429 309 Q HA 0.158 4.498 4.340 -0.000 0.000 0.237 309 Q C -1.260 174.838 176.000 0.165 0.000 0.932 309 Q CA -0.434 55.419 55.803 0.085 0.000 0.731 309 Q CB 0.858 29.623 28.738 0.045 0.000 1.383 309 Q HN 0.713 nan 8.270 nan 0.000 0.446 310 D N 0.350 120.817 120.400 0.112 0.000 3.888 310 D HA -0.235 4.405 4.640 -0.000 0.000 0.110 310 D C 0.150 176.408 176.300 -0.070 0.000 0.927 310 D CA 0.294 54.320 54.000 0.043 0.000 0.508 310 D CB 0.632 41.435 40.800 0.005 0.000 1.015 310 D HN 0.200 nan 8.370 nan 0.000 0.499 311 L N 2.172 123.215 121.223 -0.300 0.000 2.769 311 L HA -0.119 4.221 4.340 -0.000 0.000 0.293 311 L C 1.720 178.453 176.870 -0.229 0.000 1.224 311 L CA 1.586 56.109 54.840 -0.528 0.000 0.906 311 L CB -0.738 41.082 42.059 -0.398 0.000 1.193 311 L HN 0.892 nan 8.230 nan 0.000 0.488 312 S N 1.458 117.058 115.700 -0.168 0.000 4.471 312 S HA 0.086 4.556 4.470 -0.000 0.000 0.191 312 S C 0.969 175.569 174.600 -0.000 0.000 1.128 312 S CA 0.510 58.682 58.200 -0.047 0.000 1.153 312 S CB 1.089 64.289 63.200 0.001 0.000 1.583 312 S HN 0.365 nan 8.310 nan 0.000 0.590 313 V N 1.382 121.331 119.914 0.057 0.000 0.792 313 V HA -0.200 3.920 4.120 -0.000 0.000 0.068 313 V C 0.334 176.488 176.094 0.101 0.000 2.635 313 V CA 1.503 63.865 62.300 0.103 0.000 3.584 313 V CB -1.825 30.049 31.823 0.085 0.000 1.239 313 V HN 0.935 nan 8.190 nan 0.000 1.127 314 I N 0.322 120.932 120.570 0.066 0.000 2.575 314 I HA 0.566 4.736 4.170 -0.000 0.000 0.285 314 I C 0.853 177.009 176.117 0.065 0.000 1.085 314 I CA 0.541 61.870 61.300 0.050 0.000 1.403 314 I CB 1.267 39.275 38.000 0.014 0.000 1.409 314 I HN 0.143 nan 8.210 nan 0.000 0.557 315 S N 4.300 120.026 115.700 0.043 0.000 2.554 315 S HA 0.024 4.494 4.470 -0.000 0.000 0.290 315 S C -0.050 174.551 174.600 0.002 0.000 1.309 315 S CA 0.041 58.257 58.200 0.026 0.000 1.047 315 S CB 0.124 63.249 63.200 -0.125 0.000 0.828 315 S HN 0.654 nan 8.310 nan 0.000 0.509 316 K N 1.790 122.196 120.400 0.009 0.000 2.565 316 K HA 0.381 4.701 4.320 -0.000 0.000 0.249 316 K C -1.595 174.951 176.600 -0.091 0.000 0.958 316 K CA -0.482 55.788 56.287 -0.028 0.000 0.806 316 K CB 1.304 33.803 32.500 -0.001 0.000 1.194 316 K HN 0.369 nan 8.250 nan 0.000 0.434 317 V N 4.869 124.723 119.914 -0.100 0.000 2.370 317 V HA 0.139 4.259 4.120 -0.000 0.000 0.257 317 V C 0.010 175.991 176.094 -0.190 0.000 1.064 317 V CA -0.634 61.584 62.300 -0.138 0.000 0.975 317 V CB 0.807 32.578 31.823 -0.087 0.000 1.067 317 V HN 0.457 nan 8.190 nan 0.000 0.485 318 V N 5.492 125.189 119.914 -0.362 0.000 2.546 318 V HA 0.334 4.454 4.120 -0.000 0.000 0.284 318 V C 0.284 176.224 176.094 -0.256 0.000 1.050 318 V CA -0.544 61.526 62.300 -0.385 0.000 0.981 318 V CB 1.591 33.029 31.823 -0.641 0.000 0.990 318 V HN 0.868 nan 8.190 nan 0.000 0.474 319 K N 4.224 124.561 120.400 -0.105 0.000 2.527 319 K HA 0.644 4.964 4.320 -0.000 0.000 0.240 319 K C -1.476 175.147 176.600 0.038 0.000 0.989 319 K CA -0.266 56.018 56.287 -0.006 0.000 0.985 319 K CB 1.641 34.140 32.500 -0.003 0.000 1.221 319 K HN 0.510 nan 8.250 nan 0.000 0.458 320 V N 2.541 122.521 119.914 0.110 0.000 3.046 320 V HA 0.522 4.642 4.120 -0.000 0.000 0.316 320 V C -0.836 175.335 176.094 0.128 0.000 1.104 320 V CA -0.454 61.923 62.300 0.129 0.000 1.006 320 V CB 2.531 34.444 31.823 0.149 0.000 1.058 320 V HN 0.792 nan 8.190 nan 0.000 0.440 321 T N 5.955 120.584 114.554 0.125 0.000 2.744 321 T HA 0.648 4.998 4.350 -0.000 0.000 0.291 321 T C -0.463 174.281 174.700 0.073 0.000 0.957 321 T CA 0.094 62.234 62.100 0.066 0.000 1.002 321 T CB 0.206 69.072 68.868 -0.003 0.000 0.919 321 T HN 0.450 nan 8.240 nan 0.000 0.468 322 I N 2.167 122.752 120.570 0.024 0.000 2.569 322 I HA 0.286 4.456 4.170 -0.000 0.000 0.290 322 I C -0.550 175.554 176.117 -0.021 0.000 1.088 322 I CA -0.957 60.337 61.300 -0.010 0.000 1.047 322 I CB 2.113 40.121 38.000 0.013 0.000 1.237 322 I HN 0.474 nan 8.210 nan 0.000 0.421 323 D N 5.146 125.517 120.400 -0.049 0.000 2.751 323 D HA -0.271 4.369 4.640 -0.000 0.000 0.233 323 D C -0.040 176.352 176.300 0.153 0.000 1.149 323 D CA 1.221 55.289 54.000 0.114 0.000 0.682 323 D CB -1.218 39.682 40.800 0.167 0.000 1.068 323 D HN 0.739 nan 8.370 nan 0.000 0.429 324 Y N -4.076 116.226 120.300 0.004 0.000 4.604 324 Y HA -0.324 4.226 4.550 -0.000 0.000 0.230 324 Y C 0.869 176.768 175.900 -0.002 0.000 1.066 324 Y CA 0.780 58.869 58.100 -0.018 0.000 1.990 324 Y CB -1.489 36.955 38.460 -0.026 0.000 1.619 324 Y HN 0.445 nan 8.280 nan 0.000 0.649 325 A N 0.144 123.034 122.820 0.117 0.000 2.386 325 A HA 0.655 4.975 4.320 -0.000 0.000 0.311 325 A C -0.292 177.331 177.584 0.066 0.000 1.068 325 A CA -0.810 51.280 52.037 0.088 0.000 0.743 325 A CB 0.936 19.982 19.000 0.078 0.000 1.258 325 A HN 0.253 nan 8.150 nan 0.000 0.429 326 E N 1.642 121.880 120.200 0.064 0.000 2.166 326 E HA 0.220 4.570 4.350 -0.000 0.000 0.279 326 E C -0.827 175.819 176.600 0.077 0.000 1.095 326 E CA 0.172 56.611 56.400 0.066 0.000 0.888 326 E CB 0.640 30.374 29.700 0.056 0.000 1.041 326 E HN 0.396 nan 8.360 nan 0.000 0.414 327 I N 3.023 123.654 120.570 0.102 0.000 2.433 327 I HA 0.180 4.350 4.170 -0.000 0.000 0.292 327 I C -0.160 176.090 176.117 0.223 0.000 1.001 327 I CA -0.385 60.994 61.300 0.131 0.000 1.119 327 I CB 1.724 39.779 38.000 0.092 0.000 1.289 327 I HN 0.421 nan 8.210 nan 0.000 0.438 328 S N 7.031 122.862 115.700 0.218 0.000 2.513 328 S HA 0.880 5.350 4.470 -0.000 0.000 0.299 328 S C -0.783 174.013 174.600 0.325 0.000 1.087 328 S CA -0.547 57.781 58.200 0.214 0.000 1.012 328 S CB 2.084 65.334 63.200 0.083 0.000 1.044 328 S HN 0.455 nan 8.310 nan 0.000 0.485 329 F N -1.063 118.908 119.950 0.034 0.000 2.741 329 F HA 0.625 5.152 4.527 -0.000 0.000 0.311 329 F C -1.309 174.532 175.800 0.069 0.000 1.149 329 F CA -1.491 56.539 58.000 0.050 0.000 0.930 329 F CB 1.166 40.203 39.000 0.063 0.000 1.312 329 F HN 0.446 nan 8.300 nan 0.000 0.450 330 M N 3.061 122.746 119.600 0.141 0.000 2.108 330 M HA 0.356 4.836 4.480 -0.000 0.000 0.354 330 M C -1.299 175.144 176.300 0.239 0.000 1.229 330 M CA -0.613 54.726 55.300 0.064 0.000 1.081 330 M CB 1.339 33.968 32.600 0.049 0.000 1.606 330 M HN 0.688 nan 8.290 nan 0.000 0.467 331 L N 7.824 129.111 121.223 0.107 0.000 2.272 331 L HA 0.612 4.952 4.340 -0.000 0.000 0.289 331 L C -0.976 176.149 176.870 0.425 0.000 1.032 331 L CA 0.069 55.058 54.840 0.248 0.000 0.810 331 L CB 0.492 42.563 42.059 0.020 0.000 1.205 331 L HN 0.690 nan 8.230 nan 0.000 0.422 332 W N 0.000 121.367 121.300 0.112 0.000 2.388 332 W HA 0.000 4.660 4.660 0.000 0.000 0.303 332 W CA 0.000 57.397 57.345 0.086 0.000 1.226 332 W CB 0.000 29.483 29.460 0.038 0.000 1.126 332 W HN 0.000 nan 8.180 nan 0.000 0.535