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 3hgk_1_B DATA FIRST_RESID 32 DATA SEQUENCE VDLEEATNNF DHKFLIGHGV FGKVYKGVLR DGAKVALKRR TPESSQGIEE DATA SEQUENCE FETEIETLSF CRHPHLVSLI GFCDERNEMI LIYKYMENGN LKRHLYGSDL DATA SEQUENCE PTMSMSWEQR LEICIGAARG LHYLHTRAII HRDVKSINIL LDENFVPKIT DATA SEQUENCE DFGISKKGTE LGQTHLXXVV KGTLGYIDPE YFIKGRLTEK SDVYSFGVVL DATA SEQUENCE FEVLCARSAI VQSLPREMVN LAEWAVESHN NGQLEQIVDP NLADKIRPES DATA SEQUENCE LRKFGDTAVK CLALSSEDRP SMGDVLWKLE YALRLQES 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 32 V HA 0.000 nan 4.120 nan 0.000 0.244 32 V C 0.000 176.112 176.094 0.031 0.000 1.182 32 V CA 0.000 62.315 62.300 0.025 0.000 1.235 32 V CB 0.000 31.833 31.823 0.017 0.000 1.184 33 D N 1.679 122.120 120.400 0.069 0.000 2.596 33 D HA 0.797 5.435 4.640 -0.002 0.000 0.234 33 D C 0.321 176.708 176.300 0.145 0.000 1.181 33 D CA -0.487 53.581 54.000 0.114 0.000 0.856 33 D CB 3.039 43.928 40.800 0.147 0.000 1.498 33 D HN 0.258 nan 8.370 nan 0.000 0.446 34 L N 0.457 121.765 121.223 0.143 0.000 3.195 34 L HA 0.120 4.459 4.340 -0.002 0.000 0.290 34 L C 0.356 177.268 176.870 0.071 0.000 1.092 34 L CA -0.043 54.847 54.840 0.084 0.000 1.094 34 L CB 0.523 42.609 42.059 0.045 0.000 1.743 34 L HN 0.449 nan 8.230 nan 0.000 0.579 35 E N 1.731 122.003 120.200 0.121 0.000 2.773 35 E HA -0.066 4.282 4.350 -0.002 0.000 0.302 35 E C 0.133 176.790 176.600 0.096 0.000 1.574 35 E CA 0.074 56.530 56.400 0.092 0.000 1.775 35 E CB -0.258 29.495 29.700 0.089 0.000 1.413 35 E HN 0.273 nan 8.360 nan 0.000 0.471 36 E N 1.776 121.916 120.200 -0.101 0.000 2.400 36 E HA 0.344 4.693 4.350 -0.002 0.000 0.232 36 E C -0.659 175.725 176.600 -0.360 0.000 0.988 36 E CA -0.595 55.471 56.400 -0.557 0.000 0.823 36 E CB 0.653 29.890 29.700 -0.771 0.000 1.246 36 E HN 0.459 nan 8.360 nan 0.000 0.441 37 A N 2.848 125.515 122.820 -0.256 0.000 2.466 37 A HA 0.219 4.537 4.320 -0.002 0.000 0.238 37 A C 0.278 177.740 177.584 -0.204 0.000 1.074 37 A CA 0.103 52.032 52.037 -0.179 0.000 0.774 37 A CB 1.018 19.939 19.000 -0.131 0.000 1.015 37 A HN 0.475 nan 8.150 nan 0.000 0.498 38 T N 2.146 116.608 114.554 -0.153 0.000 2.841 38 T HA 0.376 4.725 4.350 -0.002 0.000 0.285 38 T C -0.332 174.302 174.700 -0.111 0.000 0.991 38 T CA -0.637 61.382 62.100 -0.135 0.000 0.966 38 T CB -0.135 68.661 68.868 -0.119 0.000 0.962 38 T HN 0.758 nan 8.240 nan 0.000 0.438 39 N N 4.431 123.072 118.700 -0.099 0.000 2.752 39 N HA -0.207 4.532 4.740 -0.002 0.000 0.308 39 N C 0.430 175.874 175.510 -0.111 0.000 1.201 39 N CA 0.543 53.541 53.050 -0.086 0.000 0.717 39 N CB -0.037 38.422 38.487 -0.046 0.000 1.028 39 N HN 0.730 nan 8.380 nan 0.000 0.558 40 N N 2.176 120.760 118.700 -0.192 0.000 2.031 40 N HA 0.151 4.889 4.740 -0.002 0.000 0.226 40 N C 0.677 176.102 175.510 -0.142 0.000 1.175 40 N CA 0.695 53.578 53.050 -0.278 0.000 0.987 40 N CB -0.005 38.116 38.487 -0.611 0.000 1.230 40 N HN 0.330 nan 8.380 nan 0.000 0.452 41 F N -0.230 119.674 119.950 -0.077 0.000 2.484 41 F HA 0.509 5.035 4.527 -0.002 0.000 0.260 41 F C 0.049 175.814 175.800 -0.057 0.000 0.995 41 F CA -1.336 56.626 58.000 -0.065 0.000 1.075 41 F CB -1.139 37.818 39.000 -0.072 0.000 2.044 41 F HN 0.292 nan 8.300 nan 0.000 0.607 42 D N -1.835 118.804 120.400 0.398 0.000 2.248 42 D HA 0.217 4.856 4.640 -0.002 0.000 0.246 42 D C -1.236 175.039 176.300 -0.041 0.000 1.027 42 D CA -0.421 53.694 54.000 0.192 0.000 0.853 42 D CB 0.500 41.333 40.800 0.055 0.000 1.243 42 D HN 0.426 nan 8.370 nan 0.000 0.462 43 H N 2.006 120.947 119.070 -0.214 0.000 3.342 43 H HA 0.104 4.659 4.556 -0.002 0.000 0.233 43 H C -0.280 174.709 175.328 -0.566 0.000 0.967 43 H CA 0.234 55.956 56.048 -0.544 0.000 1.404 43 H CB 0.029 29.222 29.762 -0.948 0.000 1.560 43 H HN 0.134 nan 8.280 nan 0.000 0.510 44 K N 4.938 125.075 120.400 -0.439 0.000 2.167 44 K HA 0.065 4.383 4.320 -0.002 0.000 0.275 44 K C -0.963 175.650 176.600 0.021 0.000 1.103 44 K CA -0.269 55.894 56.287 -0.207 0.000 0.963 44 K CB -0.940 31.369 32.500 -0.318 0.000 1.243 44 K HN 0.244 nan 8.250 nan 0.000 0.407 45 F N 4.547 124.555 119.950 0.097 0.000 2.579 45 F HA 0.034 4.560 4.527 -0.002 0.000 0.397 45 F C 0.635 176.582 175.800 0.244 0.000 1.027 45 F CA 0.973 59.141 58.000 0.281 0.000 1.217 45 F CB -0.036 39.076 39.000 0.186 0.000 0.986 45 F HN 0.420 nan 8.300 nan 0.000 0.551 46 L N 2.976 124.459 121.223 0.433 0.000 3.041 46 L HA 0.257 4.596 4.340 -0.002 0.000 0.278 46 L C 0.884 177.833 176.870 0.131 0.000 1.051 46 L CA -0.873 54.111 54.840 0.239 0.000 0.957 46 L CB 1.232 43.405 42.059 0.191 0.000 1.538 46 L HN 0.586 nan 8.230 nan 0.000 0.393 47 I N -1.290 119.348 120.570 0.114 0.000 4.298 47 I HA -0.343 3.826 4.170 -0.002 0.000 0.099 47 I C 0.668 176.818 176.117 0.055 0.000 0.613 47 I CA 2.047 63.404 61.300 0.095 0.000 0.931 47 I CB -1.721 36.372 38.000 0.156 0.000 0.821 47 I HN 0.644 nan 8.210 nan 0.000 0.202 48 G N -1.106 107.698 108.800 0.006 0.000 2.685 48 G HA2 0.704 4.662 3.960 -0.002 0.000 0.298 48 G HA3 0.704 4.662 3.960 -0.002 0.000 0.298 48 G C -1.666 173.260 174.900 0.044 0.000 1.277 48 G CA -0.014 45.094 45.100 0.012 0.000 0.986 48 G HN 0.810 nan 8.290 nan 0.000 0.487 49 H N -2.365 116.670 119.070 -0.058 0.000 3.094 49 H HA 0.582 5.136 4.556 -0.002 0.000 0.335 49 H C -0.123 175.187 175.328 -0.030 0.000 1.254 49 H CA 0.436 56.455 56.048 -0.048 0.000 1.240 49 H CB 1.853 31.596 29.762 -0.032 0.000 1.936 49 H HN 1.097 nan 8.280 nan 0.000 0.536 50 G N 0.730 109.299 108.800 -0.385 0.000 2.606 50 G HA2 0.388 4.347 3.960 -0.002 0.000 0.300 50 G HA3 0.388 4.347 3.960 -0.002 0.000 0.300 50 G C 0.161 174.913 174.900 -0.246 0.000 1.360 50 G CA -0.201 44.786 45.100 -0.188 0.000 0.783 50 G HN 0.588 nan 8.290 nan 0.000 0.484 51 V N -0.330 119.479 119.914 -0.175 0.000 2.250 51 V HA -0.202 3.916 4.120 -0.002 0.000 0.250 51 V C 1.479 177.288 176.094 -0.475 0.000 1.039 51 V CA 2.066 64.176 62.300 -0.318 0.000 1.042 51 V CB -0.816 30.851 31.823 -0.260 0.000 0.673 51 V HN 0.489 nan 8.190 nan 0.000 0.477 52 F N 0.801 120.738 119.950 -0.021 0.000 2.848 52 F HA 0.657 5.183 4.527 -0.002 0.000 0.321 52 F C 0.528 176.309 175.800 -0.030 0.000 1.281 52 F CA 0.379 58.371 58.000 -0.014 0.000 1.209 52 F CB 0.743 39.753 39.000 0.018 0.000 1.152 52 F HN 0.332 nan 8.300 nan 0.000 0.521 53 G N 0.492 109.285 108.800 -0.012 0.000 2.596 53 G HA2 0.349 4.308 3.960 -0.002 0.000 0.296 53 G HA3 0.349 4.308 3.960 -0.002 0.000 0.296 53 G C -1.452 173.310 174.900 -0.230 0.000 1.513 53 G CA -1.066 44.012 45.100 -0.037 0.000 0.851 53 G HN 0.051 nan 8.290 nan 0.000 0.548 54 K N -0.820 119.500 120.400 -0.133 0.000 2.399 54 K HA 0.823 5.142 4.320 -0.002 0.000 0.247 54 K C -0.751 175.748 176.600 -0.167 0.000 1.036 54 K CA -0.905 55.272 56.287 -0.182 0.000 0.977 54 K CB 2.009 34.464 32.500 -0.074 0.000 1.272 54 K HN 0.269 nan 8.250 nan 0.000 0.501 55 V N 1.866 121.577 119.914 -0.337 0.000 2.671 55 V HA 0.203 4.322 4.120 -0.002 0.000 0.292 55 V C -1.862 174.060 176.094 -0.287 0.000 1.115 55 V CA -0.892 61.297 62.300 -0.185 0.000 0.918 55 V CB 0.810 32.607 31.823 -0.043 0.000 1.036 55 V HN 0.581 nan 8.190 nan 0.000 0.445 56 Y N 2.725 123.093 120.300 0.113 0.000 2.352 56 Y HA 0.568 5.116 4.550 -0.002 0.000 0.339 56 Y C 0.495 176.460 175.900 0.108 0.000 0.992 56 Y CA -0.690 57.466 58.100 0.094 0.000 1.100 56 Y CB 1.582 40.065 38.460 0.038 0.000 1.192 56 Y HN 0.587 nan 8.280 nan 0.000 0.458 57 K N 1.400 121.942 120.400 0.238 0.000 2.156 57 K HA 0.620 4.939 4.320 -0.002 0.000 0.242 57 K C 0.033 176.732 176.600 0.165 0.000 1.033 57 K CA 0.307 56.671 56.287 0.127 0.000 0.878 57 K CB 0.227 32.695 32.500 -0.054 0.000 1.057 57 K HN 0.961 nan 8.250 nan 0.000 0.505 58 G N -0.666 108.189 108.800 0.092 0.000 2.358 58 G HA2 0.312 4.270 3.960 -0.002 0.000 0.301 58 G HA3 0.312 4.270 3.960 -0.002 0.000 0.301 58 G C -1.990 172.972 174.900 0.103 0.000 1.539 58 G CA -0.833 44.396 45.100 0.216 0.000 0.893 58 G HN 0.466 nan 8.290 nan 0.000 0.636 59 V N 1.552 121.569 119.914 0.171 0.000 2.495 59 V HA 0.593 4.712 4.120 -0.002 0.000 0.298 59 V C 0.796 176.913 176.094 0.039 0.000 1.031 59 V CA -0.669 61.676 62.300 0.076 0.000 0.871 59 V CB 1.210 33.074 31.823 0.067 0.000 0.988 59 V HN 0.743 nan 8.190 nan 0.000 0.432 60 L N 3.613 124.826 121.223 -0.018 0.000 2.777 60 L HA 0.456 4.794 4.340 -0.002 0.000 0.195 60 L C 1.807 178.669 176.870 -0.013 0.000 1.190 60 L CA -0.475 54.334 54.840 -0.052 0.000 0.933 60 L CB 0.225 42.249 42.059 -0.059 0.000 1.758 60 L HN 0.562 nan 8.230 nan 0.000 0.515 61 R N 0.257 120.744 120.500 -0.022 0.000 2.153 61 R HA -0.089 4.250 4.340 -0.002 0.000 0.218 61 R C 1.213 177.512 176.300 -0.002 0.000 1.072 61 R CA 1.041 57.137 56.100 -0.006 0.000 0.990 61 R CB -0.167 30.126 30.300 -0.013 0.000 0.889 61 R HN 0.676 nan 8.270 nan 0.000 0.452 62 D N -0.526 119.870 120.400 -0.006 0.000 2.336 62 D HA -0.002 4.637 4.640 -0.002 0.000 0.229 62 D C 0.974 177.277 176.300 0.005 0.000 1.061 62 D CA 0.830 54.830 54.000 -0.001 0.000 0.875 62 D CB 0.110 40.908 40.800 -0.004 0.000 0.904 62 D HN 0.278 nan 8.370 nan 0.000 0.525 63 G N -0.093 108.712 108.800 0.008 0.000 2.136 63 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.242 63 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.242 63 G C 0.379 175.288 174.900 0.015 0.000 0.989 63 G CA 0.072 45.179 45.100 0.012 0.000 0.682 63 G HN 0.822 nan 8.290 nan 0.000 0.522 64 A N 0.002 122.830 122.820 0.013 0.000 2.302 64 A HA 0.679 4.998 4.320 -0.002 0.000 0.295 64 A C 0.511 178.112 177.584 0.028 0.000 1.235 64 A CA -0.151 51.899 52.037 0.022 0.000 0.876 64 A CB 0.324 19.334 19.000 0.017 0.000 1.133 64 A HN 0.289 nan 8.150 nan 0.000 0.533 65 K N 1.723 122.148 120.400 0.042 0.000 2.307 65 K HA 0.298 4.616 4.320 -0.002 0.000 0.285 65 K C -0.465 176.205 176.600 0.115 0.000 1.073 65 K CA 0.399 56.710 56.287 0.040 0.000 0.996 65 K CB 0.504 33.027 32.500 0.038 0.000 0.994 65 K HN 0.406 nan 8.250 nan 0.000 0.452 66 V N 1.942 121.911 119.914 0.091 0.000 2.628 66 V HA 0.756 4.875 4.120 -0.002 0.000 0.306 66 V C -0.974 175.235 176.094 0.191 0.000 1.045 66 V CA -0.906 61.478 62.300 0.140 0.000 0.905 66 V CB 1.796 33.657 31.823 0.064 0.000 0.997 66 V HN 0.735 nan 8.190 nan 0.000 0.436 67 A N 7.176 130.165 122.820 0.283 0.000 2.276 67 A HA 0.778 5.097 4.320 -0.002 0.000 0.316 67 A C -1.080 176.685 177.584 0.302 0.000 1.229 67 A CA -0.571 51.652 52.037 0.310 0.000 0.851 67 A CB 0.582 19.781 19.000 0.332 0.000 1.165 67 A HN 0.676 nan 8.150 nan 0.000 0.513 68 L N 2.453 123.825 121.223 0.247 0.000 2.305 68 L HA 0.440 4.779 4.340 -0.002 0.000 0.284 68 L C 0.313 177.337 176.870 0.257 0.000 1.013 68 L CA -0.155 54.825 54.840 0.234 0.000 0.819 68 L CB 1.268 43.418 42.059 0.151 0.000 1.227 68 L HN 0.837 nan 8.230 nan 0.000 0.417 69 K N 3.719 124.300 120.400 0.301 0.000 2.244 69 K HA 0.247 4.566 4.320 -0.002 0.000 0.263 69 K C -0.021 176.724 176.600 0.241 0.000 1.103 69 K CA -0.703 55.737 56.287 0.255 0.000 0.966 69 K CB 0.543 33.235 32.500 0.321 0.000 1.429 69 K HN 0.428 nan 8.250 nan 0.000 0.434 70 R N 3.158 123.792 120.500 0.223 0.000 2.316 70 R HA 0.090 4.428 4.340 -0.002 0.000 0.314 70 R C -0.326 176.068 176.300 0.156 0.000 1.069 70 R CA 0.296 56.534 56.100 0.230 0.000 0.959 70 R CB 0.496 31.017 30.300 0.368 0.000 0.987 70 R HN 0.523 nan 8.270 nan 0.000 0.446 71 R N 3.494 124.066 120.500 0.120 0.000 2.903 71 R HA 0.152 4.491 4.340 -0.002 0.000 0.363 71 R C -0.198 176.127 176.300 0.042 0.000 1.161 71 R CA -0.088 56.068 56.100 0.093 0.000 1.109 71 R CB 0.963 31.330 30.300 0.111 0.000 1.399 71 R HN 0.714 nan 8.270 nan 0.000 0.587 72 T N 0.199 114.786 114.554 0.056 0.000 3.051 72 T HA 0.101 4.450 4.350 -0.002 0.000 0.255 72 T C -1.870 172.863 174.700 0.055 0.000 1.085 72 T CA 0.012 62.130 62.100 0.030 0.000 1.109 72 T CB -0.146 68.736 68.868 0.023 0.000 0.921 72 T HN 0.200 nan 8.240 nan 0.000 0.488 73 P HA 0.216 nan 4.420 nan 0.000 0.271 73 P C -0.501 176.885 177.300 0.142 0.000 1.220 73 P CA -0.022 63.146 63.100 0.113 0.000 0.768 73 P CB 0.129 31.909 31.700 0.133 0.000 0.848 74 E N 1.163 121.437 120.200 0.123 0.000 2.504 74 E HA -0.204 4.144 4.350 -0.002 0.000 0.183 74 E C -0.476 176.158 176.600 0.056 0.000 1.857 74 E CA 0.702 57.177 56.400 0.125 0.000 0.670 74 E CB -2.392 27.442 29.700 0.223 0.000 1.024 74 E HN 0.542 nan 8.360 nan 0.000 0.322 75 S N 0.524 116.212 115.700 -0.021 0.000 3.844 75 S HA 0.161 4.630 4.470 -0.002 0.000 0.193 75 S C 0.039 174.517 174.600 -0.203 0.000 1.255 75 S CA -0.282 57.856 58.200 -0.104 0.000 1.028 75 S CB -0.171 62.983 63.200 -0.077 0.000 1.436 75 S HN 0.326 nan 8.310 nan 0.000 0.442 76 S N 2.615 118.089 115.700 -0.378 0.000 2.473 76 S HA 0.254 4.723 4.470 -0.002 0.000 0.312 76 S C 0.478 174.535 174.600 -0.904 0.000 1.087 76 S CA -0.512 57.360 58.200 -0.546 0.000 1.077 76 S CB 0.575 63.547 63.200 -0.379 0.000 1.065 76 S HN 0.646 nan 8.310 nan 0.000 0.510 77 Q N 1.807 121.343 119.800 -0.440 0.000 2.405 77 Q HA -0.208 4.131 4.340 -0.002 0.000 0.265 77 Q C 1.025 176.855 176.000 -0.283 0.000 1.096 77 Q CA 1.115 56.740 55.803 -0.296 0.000 0.982 77 Q CB -1.588 27.039 28.738 -0.186 0.000 1.426 77 Q HN 0.907 nan 8.270 nan 0.000 0.527 78 G N -1.422 107.174 108.800 -0.341 0.000 2.920 78 G HA2 0.113 4.072 3.960 -0.002 0.000 0.208 78 G HA3 0.113 4.072 3.960 -0.002 0.000 0.208 78 G C 0.980 175.883 174.900 0.004 0.000 1.159 78 G CA 0.484 45.507 45.100 -0.128 0.000 0.784 78 G HN 0.397 nan 8.290 nan 0.000 0.535 79 I N 0.038 120.591 120.570 -0.028 0.000 2.296 79 I HA 0.048 4.217 4.170 -0.002 0.000 0.242 79 I C 2.420 178.607 176.117 0.117 0.000 1.087 79 I CA 0.860 62.182 61.300 0.037 0.000 1.393 79 I CB -0.169 37.818 38.000 -0.020 0.000 1.093 79 I HN 0.182 nan 8.210 nan 0.000 0.421 80 E N 0.976 121.205 120.200 0.049 0.000 2.077 80 E HA -0.254 4.095 4.350 -0.002 0.000 0.193 80 E C 1.925 178.559 176.600 0.057 0.000 0.989 80 E CA 1.425 57.850 56.400 0.042 0.000 0.800 80 E CB 0.053 29.762 29.700 0.016 0.000 0.746 80 E HN 0.536 nan 8.360 nan 0.000 0.452 81 E N -0.314 119.933 120.200 0.079 0.000 2.150 81 E HA -0.166 4.183 4.350 -0.002 0.000 0.193 81 E C 1.828 178.500 176.600 0.121 0.000 0.985 81 E CA 0.741 57.198 56.400 0.094 0.000 0.814 81 E CB -0.223 29.552 29.700 0.125 0.000 0.752 81 E HN 0.314 nan 8.360 nan 0.000 0.466 82 F N 2.118 122.072 119.950 0.007 0.000 2.186 82 F HA -0.137 4.389 4.527 -0.002 0.000 0.299 82 F C 1.945 177.716 175.800 -0.048 0.000 1.090 82 F CA 1.426 59.429 58.000 0.005 0.000 1.307 82 F CB 0.245 39.251 39.000 0.011 0.000 1.019 82 F HN -0.109 nan 8.300 nan 0.000 0.489 83 E N -0.576 119.620 120.200 -0.007 0.000 2.051 83 E HA -0.133 4.215 4.350 -0.002 0.000 0.189 83 E C 2.074 178.553 176.600 -0.202 0.000 0.979 83 E CA 1.639 57.949 56.400 -0.150 0.000 0.803 83 E CB -0.318 29.363 29.700 -0.032 0.000 0.761 83 E HN 0.304 nan 8.360 nan 0.000 0.451 84 T N 0.985 115.473 114.554 -0.110 0.000 2.759 84 T HA -0.191 4.158 4.350 -0.002 0.000 0.269 84 T C 1.723 176.333 174.700 -0.149 0.000 1.042 84 T CA 1.329 63.363 62.100 -0.110 0.000 1.140 84 T CB -0.143 68.705 68.868 -0.034 0.000 0.864 84 T HN 0.183 nan 8.240 nan 0.000 0.455 85 E N -0.181 119.943 120.200 -0.126 0.000 2.427 85 E HA 0.070 4.419 4.350 -0.002 0.000 0.196 85 E C 1.818 178.262 176.600 -0.260 0.000 1.028 85 E CA 0.206 56.545 56.400 -0.102 0.000 0.864 85 E CB -0.021 29.692 29.700 0.022 0.000 0.813 85 E HN 0.495 nan 8.360 nan 0.000 0.514 86 I N 0.907 121.236 120.570 -0.402 0.000 2.368 86 I HA -0.195 3.974 4.170 -0.002 0.000 0.238 86 I C 2.283 178.084 176.117 -0.528 0.000 1.076 86 I CA 0.748 61.748 61.300 -0.499 0.000 1.397 86 I CB -0.163 37.432 38.000 -0.674 0.000 1.141 86 I HN 0.142 nan 8.210 nan 0.000 0.430 87 E N 0.523 120.392 120.200 -0.551 0.000 2.013 87 E HA -0.264 4.085 4.350 -0.002 0.000 0.202 87 E C 1.855 177.667 176.600 -1.313 0.000 1.018 87 E CA 2.162 58.081 56.400 -0.802 0.000 0.834 87 E CB -1.064 28.303 29.700 -0.556 0.000 0.770 87 E HN 0.316 nan 8.360 nan 0.000 0.459 88 T N 0.860 114.917 114.554 -0.829 0.000 2.760 88 T HA -0.168 4.181 4.350 -0.002 0.000 0.269 88 T C 1.639 176.018 174.700 -0.535 0.000 1.047 88 T CA 1.568 63.312 62.100 -0.593 0.000 1.139 88 T CB -0.162 68.529 68.868 -0.295 0.000 0.855 88 T HN 0.073 nan 8.240 nan 0.000 0.471 89 L N -0.232 120.674 121.223 -0.528 0.000 2.575 89 L HA 0.387 4.726 4.340 -0.002 0.000 0.228 89 L C 2.101 178.833 176.870 -0.232 0.000 1.075 89 L CA 0.621 55.234 54.840 -0.378 0.000 0.867 89 L CB 0.033 41.902 42.059 -0.317 0.000 1.097 89 L HN -0.029 nan 8.230 nan 0.000 0.485 90 S N -0.455 115.053 115.700 -0.321 0.000 2.547 90 S HA 0.026 4.495 4.470 -0.002 0.000 0.235 90 S C 1.371 176.006 174.600 0.058 0.000 0.980 90 S CA 0.535 58.634 58.200 -0.168 0.000 0.941 90 S CB -0.510 62.548 63.200 -0.236 0.000 0.763 90 S HN 0.429 nan 8.310 nan 0.000 0.532 91 F N 0.622 120.508 119.950 -0.107 0.000 2.754 91 F HA 0.080 4.606 4.527 -0.002 0.000 0.303 91 F C 0.840 176.613 175.800 -0.045 0.000 1.196 91 F CA -0.808 57.149 58.000 -0.072 0.000 1.416 91 F CB -0.271 38.679 39.000 -0.084 0.000 1.092 91 F HN 0.044 nan 8.300 nan 0.000 0.541 92 C N 2.184 121.551 119.300 0.112 0.000 2.489 92 C HA -0.037 4.421 4.460 -0.002 0.000 0.404 92 C C 0.690 175.710 174.990 0.049 0.000 1.443 92 C CA 0.610 59.662 59.018 0.055 0.000 1.387 92 C CB -1.880 25.874 27.740 0.024 0.000 2.407 92 C HN 0.304 nan 8.230 nan 0.000 0.627 93 R N 2.851 123.379 120.500 0.047 0.000 3.130 93 R HA 0.393 4.732 4.340 -0.002 0.000 0.261 93 R C -1.030 175.197 176.300 -0.121 0.000 1.683 93 R CA -0.233 55.853 56.100 -0.023 0.000 1.095 93 R CB -0.057 30.224 30.300 -0.032 0.000 1.421 93 R HN 0.846 nan 8.270 nan 0.000 0.454 94 H N 1.444 120.415 119.070 -0.164 0.000 3.020 94 H HA 0.238 4.793 4.556 -0.002 0.000 0.303 94 H C -2.328 172.905 175.328 -0.157 0.000 1.332 94 H CA -1.014 54.882 56.048 -0.253 0.000 1.282 94 H CB 2.095 31.624 29.762 -0.387 0.000 1.928 94 H HN 0.153 nan 8.280 nan 0.000 0.519 95 P HA 0.091 nan 4.420 nan 0.000 0.240 95 P C 0.290 177.568 177.300 -0.036 0.000 1.190 95 P CA 0.756 63.832 63.100 -0.041 0.000 0.781 95 P CB 0.447 32.028 31.700 -0.198 0.000 0.931 96 H N -0.744 118.327 119.070 0.001 0.000 2.481 96 H HA 0.485 5.040 4.556 -0.002 0.000 0.273 96 H C -0.443 174.787 175.328 -0.163 0.000 1.145 96 H CA -0.539 55.418 56.048 -0.152 0.000 0.964 96 H CB -0.088 29.526 29.762 -0.246 0.000 1.722 96 H HN 0.065 nan 8.280 nan 0.000 0.573 97 L N 0.032 121.305 121.223 0.083 0.000 2.513 97 L HA 0.253 4.592 4.340 -0.002 0.000 0.261 97 L C -0.383 176.599 176.870 0.186 0.000 0.945 97 L CA -0.683 54.260 54.840 0.171 0.000 0.848 97 L CB 2.656 44.812 42.059 0.161 0.000 1.334 97 L HN -0.155 nan 8.230 nan 0.000 0.407 98 V N 1.808 121.872 119.914 0.249 0.000 2.485 98 V HA 0.116 4.234 4.120 -0.002 0.000 0.287 98 V C 0.746 176.999 176.094 0.265 0.000 1.022 98 V CA 0.038 62.472 62.300 0.224 0.000 1.067 98 V CB 1.059 32.990 31.823 0.181 0.000 0.967 98 V HN 0.778 nan 8.190 nan 0.000 0.479 99 S N 5.928 121.752 115.700 0.207 0.000 2.455 99 S HA 0.289 4.758 4.470 -0.002 0.000 0.278 99 S C -0.238 174.466 174.600 0.172 0.000 1.216 99 S CA -0.595 57.699 58.200 0.156 0.000 1.055 99 S CB 0.015 63.274 63.200 0.098 0.000 0.939 99 S HN 0.653 nan 8.310 nan 0.000 0.494 100 L N 7.507 128.777 121.223 0.079 0.000 2.363 100 L HA 0.319 4.658 4.340 -0.002 0.000 0.286 100 L C 0.981 177.785 176.870 -0.110 0.000 1.106 100 L CA -0.194 54.578 54.840 -0.114 0.000 0.859 100 L CB 0.027 42.001 42.059 -0.143 0.000 1.223 100 L HN 0.822 nan 8.230 nan 0.000 0.446 101 I N 4.009 124.505 120.570 -0.123 0.000 2.439 101 I HA 0.003 4.172 4.170 -0.002 0.000 0.251 101 I C 1.257 177.342 176.117 -0.054 0.000 1.139 101 I CA 1.104 62.368 61.300 -0.060 0.000 1.438 101 I CB -0.056 37.925 38.000 -0.032 0.000 1.085 101 I HN 0.761 nan 8.210 nan 0.000 0.427 102 G N -0.395 108.355 108.800 -0.082 0.000 2.561 102 G HA2 0.479 4.437 3.960 -0.002 0.000 0.310 102 G HA3 0.479 4.437 3.960 -0.002 0.000 0.310 102 G C -1.772 173.191 174.900 0.105 0.000 1.292 102 G CA -0.337 44.771 45.100 0.013 0.000 0.811 102 G HN 0.057 nan 8.290 nan 0.000 0.482 103 F N -1.979 117.927 119.950 -0.073 0.000 2.703 103 F HA 0.725 5.251 4.527 -0.002 0.000 0.308 103 F C -1.357 174.485 175.800 0.070 0.000 1.126 103 F CA -1.722 56.283 58.000 0.009 0.000 0.959 103 F CB 1.257 40.237 39.000 -0.033 0.000 1.297 103 F HN 0.725 nan 8.300 nan 0.000 0.441 104 C N 3.217 122.594 119.300 0.128 0.000 2.383 104 C HA 0.483 4.941 4.460 -0.002 0.000 0.330 104 C C 0.303 175.387 174.990 0.156 0.000 1.168 104 C CA -0.250 58.745 59.018 -0.039 0.000 1.374 104 C CB -0.117 27.593 27.740 -0.049 0.000 2.014 104 C HN 1.056 nan 8.230 nan 0.000 0.439 105 D N 2.673 123.170 120.400 0.162 0.000 2.349 105 D HA 0.042 4.681 4.640 -0.002 0.000 0.214 105 D C 0.641 176.962 176.300 0.036 0.000 1.063 105 D CA 0.177 54.282 54.000 0.175 0.000 0.847 105 D CB 0.241 41.273 40.800 0.386 0.000 0.933 105 D HN 0.775 nan 8.370 nan 0.000 0.513 106 E N 1.190 121.388 120.200 -0.004 0.000 2.313 106 E HA 0.153 4.502 4.350 -0.002 0.000 0.276 106 E C -0.166 176.419 176.600 -0.025 0.000 1.031 106 E CA -0.455 55.933 56.400 -0.020 0.000 0.857 106 E CB 0.424 30.099 29.700 -0.042 0.000 1.040 106 E HN 0.128 nan 8.360 nan 0.000 0.408 107 R N 3.659 124.147 120.500 -0.021 0.000 3.418 107 R HA -0.201 4.138 4.340 -0.002 0.000 0.274 107 R C -0.119 176.164 176.300 -0.028 0.000 1.108 107 R CA 0.635 56.722 56.100 -0.020 0.000 0.741 107 R CB -2.026 28.264 30.300 -0.017 0.000 1.223 107 R HN 0.904 nan 8.270 nan 0.000 0.434 108 N N -0.885 117.793 118.700 -0.036 0.000 2.857 108 N HA -0.192 4.547 4.740 -0.002 0.000 0.242 108 N C -0.023 175.440 175.510 -0.077 0.000 0.983 108 N CA 1.887 54.906 53.050 -0.052 0.000 0.934 108 N CB -0.225 38.239 38.487 -0.038 0.000 1.115 108 N HN 0.496 nan 8.380 nan 0.000 0.593 109 E N 0.558 120.716 120.200 -0.069 0.000 2.371 109 E HA 0.295 4.644 4.350 -0.002 0.000 0.257 109 E C 1.111 177.606 176.600 -0.175 0.000 1.134 109 E CA 0.119 56.472 56.400 -0.078 0.000 0.919 109 E CB 0.560 30.244 29.700 -0.027 0.000 1.025 109 E HN 0.383 nan 8.360 nan 0.000 0.438 110 M N 0.155 119.621 119.600 -0.224 0.000 2.302 110 M HA 0.422 4.901 4.480 -0.002 0.000 0.207 110 M C -1.625 174.597 176.300 -0.130 0.000 1.016 110 M CA -0.248 54.727 55.300 -0.542 0.000 0.941 110 M CB -0.014 31.787 32.600 -1.333 0.000 2.701 110 M HN 0.163 nan 8.290 nan 0.000 0.377 111 I N 2.953 123.621 120.570 0.164 0.000 2.359 111 I HA 0.555 4.724 4.170 -0.002 0.000 0.294 111 I C -0.770 175.568 176.117 0.368 0.000 0.987 111 I CA -0.736 60.726 61.300 0.270 0.000 1.225 111 I CB 1.884 39.980 38.000 0.161 0.000 1.366 111 I HN 0.644 nan 8.210 nan 0.000 0.466 112 L N 6.948 128.358 121.223 0.312 0.000 2.322 112 L HA 0.594 4.932 4.340 -0.002 0.000 0.281 112 L C -0.400 176.400 176.870 -0.117 0.000 1.014 112 L CA -0.398 54.490 54.840 0.081 0.000 0.815 112 L CB 1.421 43.530 42.059 0.083 0.000 1.247 112 L HN 0.441 nan 8.230 nan 0.000 0.421 113 I N 2.194 122.555 120.570 -0.349 0.000 2.577 113 I HA 0.538 4.706 4.170 -0.002 0.000 0.305 113 I C -0.945 174.825 176.117 -0.577 0.000 0.986 113 I CA -0.669 60.475 61.300 -0.261 0.000 1.189 113 I CB 1.463 39.394 38.000 -0.115 0.000 1.355 113 I HN 0.418 nan 8.210 nan 0.000 0.476 114 Y N 1.560 121.904 120.300 0.074 0.000 2.689 114 Y HA 0.379 4.928 4.550 -0.002 0.000 0.333 114 Y C -0.664 175.284 175.900 0.081 0.000 1.208 114 Y CA -1.398 56.746 58.100 0.073 0.000 1.055 114 Y CB 0.863 39.370 38.460 0.079 0.000 1.304 114 Y HN 0.294 nan 8.280 nan 0.000 0.455 115 K N 0.556 121.105 120.400 0.247 0.000 2.355 115 K HA 0.135 4.454 4.320 -0.002 0.000 0.270 115 K C -1.141 175.578 176.600 0.199 0.000 1.003 115 K CA -0.267 56.128 56.287 0.179 0.000 0.957 115 K CB 0.132 32.705 32.500 0.122 0.000 0.939 115 K HN 0.540 nan 8.250 nan 0.000 0.482 116 Y N 2.782 123.126 120.300 0.074 0.000 2.465 116 Y HA 0.047 4.595 4.550 -0.002 0.000 0.331 116 Y C -0.362 175.554 175.900 0.027 0.000 1.102 116 Y CA -0.160 57.973 58.100 0.055 0.000 1.358 116 Y CB 0.492 38.981 38.460 0.049 0.000 1.213 116 Y HN 0.381 nan 8.280 nan 0.000 0.525 117 M N 6.489 125.707 119.600 -0.637 0.000 2.261 117 M HA 0.092 4.570 4.480 -0.002 0.000 0.349 117 M C 1.066 176.916 176.300 -0.750 0.000 1.305 117 M CA -0.101 54.886 55.300 -0.522 0.000 1.240 117 M CB 0.628 33.035 32.600 -0.321 0.000 1.394 117 M HN 0.742 nan 8.290 nan 0.000 0.438 118 E N 1.622 121.533 120.200 -0.482 0.000 2.333 118 E HA -0.162 4.187 4.350 -0.002 0.000 0.200 118 E C 0.166 176.639 176.600 -0.212 0.000 1.010 118 E CA 1.049 57.292 56.400 -0.262 0.000 0.841 118 E CB 0.275 29.913 29.700 -0.104 0.000 0.757 118 E HN 0.575 nan 8.360 nan 0.000 0.508 119 N N -0.601 117.949 118.700 -0.249 0.000 2.291 119 N HA 0.123 4.862 4.740 -0.002 0.000 0.244 119 N C 0.700 176.226 175.510 0.026 0.000 1.216 119 N CA 0.634 53.632 53.050 -0.088 0.000 0.879 119 N CB 1.026 39.358 38.487 -0.257 0.000 1.167 119 N HN 0.094 nan 8.380 nan 0.000 0.515 120 G N 2.275 111.015 108.800 -0.100 0.000 2.602 120 G HA2 -0.407 3.551 3.960 -0.002 0.000 0.317 120 G HA3 -0.407 3.551 3.960 -0.002 0.000 0.317 120 G C 0.282 175.179 174.900 -0.006 0.000 1.327 120 G CA 0.784 45.846 45.100 -0.062 0.000 0.971 120 G HN 0.616 nan 8.290 nan 0.000 0.540 121 N N -1.191 117.527 118.700 0.031 0.000 2.495 121 N HA 0.550 5.288 4.740 -0.002 0.000 0.294 121 N C 1.237 176.831 175.510 0.141 0.000 1.276 121 N CA 0.082 53.156 53.050 0.041 0.000 0.973 121 N CB 0.462 38.953 38.487 0.006 0.000 1.143 121 N HN 0.814 nan 8.380 nan 0.000 0.589 122 L N -0.655 120.621 121.223 0.088 0.000 2.102 122 L HA 0.171 4.509 4.340 -0.002 0.000 0.202 122 L C 2.162 179.127 176.870 0.157 0.000 1.076 122 L CA 1.457 56.365 54.840 0.112 0.000 0.761 122 L CB -0.803 41.275 42.059 0.033 0.000 0.921 122 L HN 0.722 nan 8.230 nan 0.000 0.444 123 K N -0.149 120.315 120.400 0.107 0.000 2.034 123 K HA -0.301 4.018 4.320 -0.002 0.000 0.214 123 K C 2.327 178.987 176.600 0.099 0.000 1.051 123 K CA 1.724 58.077 56.287 0.110 0.000 0.931 123 K CB -0.407 32.148 32.500 0.091 0.000 0.715 123 K HN 0.193 nan 8.250 nan 0.000 0.446 124 R N 0.379 120.922 120.500 0.072 0.000 2.244 124 R HA -0.196 4.142 4.340 -0.002 0.000 0.252 124 R C 1.412 177.639 176.300 -0.121 0.000 1.177 124 R CA 1.746 57.831 56.100 -0.025 0.000 1.004 124 R CB -0.373 29.916 30.300 -0.018 0.000 0.873 124 R HN 0.556 nan 8.270 nan 0.000 0.469 125 H N -1.587 117.506 119.070 0.038 0.000 2.750 125 H HA 0.131 4.686 4.556 -0.002 0.000 0.263 125 H C 1.872 177.230 175.328 0.049 0.000 0.964 125 H CA 0.220 56.296 56.048 0.047 0.000 1.205 125 H CB 0.531 30.337 29.762 0.073 0.000 1.454 125 H HN 0.130 nan 8.280 nan 0.000 0.503 126 L N -0.821 120.507 121.223 0.175 0.000 2.145 126 L HA -0.065 4.274 4.340 -0.002 0.000 0.201 126 L C 1.917 178.913 176.870 0.209 0.000 1.075 126 L CA 1.186 56.124 54.840 0.163 0.000 0.773 126 L CB 0.070 42.221 42.059 0.153 0.000 0.936 126 L HN 0.173 nan 8.230 nan 0.000 0.451 127 Y N -1.241 119.087 120.300 0.047 0.000 3.326 127 Y HA 0.287 4.835 4.550 -0.002 0.000 0.172 127 Y C 1.759 177.667 175.900 0.013 0.000 0.896 127 Y CA 0.485 58.601 58.100 0.027 0.000 1.808 127 Y CB -0.468 38.007 38.460 0.026 0.000 1.427 127 Y HN 0.066 nan 8.280 nan 0.000 0.334 128 G N 1.453 110.136 108.800 -0.194 0.000 2.812 128 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.366 128 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.366 128 G C 0.037 174.590 174.900 -0.580 0.000 1.183 128 G CA 2.142 47.079 45.100 -0.270 0.000 1.076 128 G HN 1.511 nan 8.290 nan 0.000 0.750 129 S N -0.826 114.608 115.700 -0.443 0.000 2.602 129 S HA 0.512 4.981 4.470 -0.002 0.000 0.301 129 S C -0.717 173.744 174.600 -0.232 0.000 1.091 129 S CA 0.457 58.433 58.200 -0.373 0.000 0.895 129 S CB 1.905 64.968 63.200 -0.229 0.000 1.090 129 S HN 1.629 nan 8.310 nan 0.000 0.449 130 D N 0.765 121.050 120.400 -0.192 0.000 3.632 130 D HA -0.064 4.575 4.640 -0.002 0.000 0.193 130 D C -0.303 175.932 176.300 -0.109 0.000 1.293 130 D CA 0.864 54.795 54.000 -0.116 0.000 1.100 130 D CB -0.866 39.882 40.800 -0.086 0.000 0.619 130 D HN 2.158 nan 8.370 nan 0.000 0.733 131 L N -1.482 119.691 121.223 -0.084 0.000 2.443 131 L HA -0.040 4.299 4.340 -0.002 0.000 0.645 131 L C -2.170 174.684 176.870 -0.025 0.000 1.007 131 L CA 0.072 54.870 54.840 -0.071 0.000 1.350 131 L CB -1.150 40.826 42.059 -0.138 0.000 2.011 131 L HN 0.524 nan 8.230 nan 0.000 0.954 132 P HA 0.348 nan 4.420 nan 0.000 0.306 132 P C 0.698 178.014 177.300 0.027 0.000 1.301 132 P CA 1.047 64.153 63.100 0.011 0.000 0.744 132 P CB 0.249 31.957 31.700 0.014 0.000 1.400 133 T N -3.773 110.799 114.554 0.029 0.000 7.366 133 T HA -0.282 4.067 4.350 -0.002 0.000 0.298 133 T C 0.694 175.410 174.700 0.028 0.000 2.046 133 T CA 1.435 63.555 62.100 0.033 0.000 3.126 133 T CB -1.846 67.053 68.868 0.051 0.000 2.130 133 T HN 0.695 nan 8.240 nan 0.000 1.215 134 M N -0.644 118.971 119.600 0.024 0.000 7.319 134 M HA -0.279 4.200 4.480 -0.002 0.000 0.142 134 M C 0.914 177.234 176.300 0.033 0.000 0.480 134 M CA 1.679 56.993 55.300 0.024 0.000 1.311 134 M CB -1.059 31.552 32.600 0.019 0.000 0.421 134 M HN 0.650 nan 8.290 nan 0.000 0.209 135 S N -0.238 115.483 115.700 0.034 0.000 2.590 135 S HA 0.766 5.235 4.470 -0.002 0.000 0.282 135 S C -0.197 174.417 174.600 0.023 0.000 1.136 135 S CA -0.917 57.311 58.200 0.046 0.000 1.030 135 S CB 0.793 64.024 63.200 0.052 0.000 1.195 135 S HN 0.584 nan 8.310 nan 0.000 0.506 136 M N 1.949 121.559 119.600 0.016 0.000 2.314 136 M HA 0.342 4.821 4.480 -0.002 0.000 0.342 136 M C 0.050 176.345 176.300 -0.008 0.000 1.171 136 M CA -0.373 54.902 55.300 -0.043 0.000 1.098 136 M CB 1.570 34.127 32.600 -0.072 0.000 1.559 136 M HN 0.850 nan 8.290 nan 0.000 0.459 137 S N 1.975 117.656 115.700 -0.032 0.000 2.564 137 S HA 0.018 4.486 4.470 -0.002 0.000 0.278 137 S C 0.903 175.551 174.600 0.080 0.000 1.333 137 S CA -0.796 57.418 58.200 0.024 0.000 1.048 137 S CB 0.452 63.649 63.200 -0.006 0.000 0.900 137 S HN 1.024 nan 8.310 nan 0.000 0.505 138 W N 2.663 123.911 121.300 -0.088 0.000 2.290 138 W HA -0.335 4.323 4.660 -0.002 0.000 0.318 138 W C 1.347 177.815 176.519 -0.085 0.000 1.248 138 W CA 2.203 59.486 57.345 -0.104 0.000 1.263 138 W CB -0.289 29.109 29.460 -0.104 0.000 1.147 138 W HN 0.865 nan 8.180 nan 0.000 0.494 139 E N 0.165 120.282 120.200 -0.139 0.000 2.026 139 E HA -0.389 3.960 4.350 -0.002 0.000 0.206 139 E C 2.003 178.448 176.600 -0.259 0.000 1.028 139 E CA 2.505 58.752 56.400 -0.254 0.000 0.845 139 E CB -1.176 28.455 29.700 -0.115 0.000 0.772 139 E HN 0.373 nan 8.360 nan 0.000 0.462 140 Q N 0.411 120.105 119.800 -0.177 0.000 2.248 140 Q HA -0.211 4.128 4.340 -0.002 0.000 0.208 140 Q C 2.027 177.910 176.000 -0.195 0.000 0.984 140 Q CA 1.519 57.211 55.803 -0.186 0.000 0.875 140 Q CB 0.030 28.632 28.738 -0.228 0.000 0.910 140 Q HN 0.124 nan 8.270 nan 0.000 0.433 141 R N -0.451 119.930 120.500 -0.199 0.000 2.073 141 R HA -0.088 4.251 4.340 -0.002 0.000 0.234 141 R C 2.300 178.458 176.300 -0.237 0.000 1.134 141 R CA 1.479 57.473 56.100 -0.178 0.000 0.952 141 R CB -0.239 29.997 30.300 -0.107 0.000 0.850 141 R HN 0.339 nan 8.270 nan 0.000 0.433 142 L N 0.672 121.648 121.223 -0.411 0.000 2.093 142 L HA -0.160 4.179 4.340 -0.002 0.000 0.208 142 L C 2.383 179.135 176.870 -0.197 0.000 1.085 142 L CA 1.008 55.629 54.840 -0.366 0.000 0.755 142 L CB -0.353 41.362 42.059 -0.573 0.000 0.904 142 L HN 0.178 nan 8.230 nan 0.000 0.435 143 E N 0.403 120.497 120.200 -0.177 0.000 2.065 143 E HA -0.269 4.080 4.350 -0.002 0.000 0.201 143 E C 2.202 178.752 176.600 -0.083 0.000 1.016 143 E CA 1.655 57.995 56.400 -0.102 0.000 0.818 143 E CB -0.370 29.282 29.700 -0.080 0.000 0.749 143 E HN 0.523 nan 8.360 nan 0.000 0.453 144 I N 0.581 121.096 120.570 -0.092 0.000 2.252 144 I HA -0.275 3.894 4.170 -0.002 0.000 0.245 144 I C 2.653 178.732 176.117 -0.063 0.000 1.102 144 I CA 0.663 61.914 61.300 -0.081 0.000 1.385 144 I CB -0.256 37.703 38.000 -0.069 0.000 1.064 144 I HN 0.103 nan 8.210 nan 0.000 0.414 145 C N 0.755 120.030 119.300 -0.041 0.000 2.398 145 C HA -0.195 4.264 4.460 -0.002 0.000 0.276 145 C C 2.720 177.781 174.990 0.117 0.000 1.222 145 C CA 0.853 59.898 59.018 0.045 0.000 1.746 145 C CB -0.883 26.872 27.740 0.026 0.000 2.039 145 C HN 0.426 nan 8.230 nan 0.000 0.470 146 I N 0.940 121.510 120.570 -0.001 0.000 2.142 146 I HA -0.104 4.064 4.170 -0.002 0.000 0.240 146 I C 2.771 178.843 176.117 -0.074 0.000 1.078 146 I CA 1.820 63.107 61.300 -0.022 0.000 1.343 146 I CB -1.154 36.823 38.000 -0.038 0.000 1.046 146 I HN 0.448 nan 8.210 nan 0.000 0.405 147 G N 0.728 109.422 108.800 -0.177 0.000 2.586 147 G HA2 -0.366 3.592 3.960 -0.002 0.000 0.218 147 G HA3 -0.366 3.592 3.960 -0.002 0.000 0.218 147 G C 1.842 176.314 174.900 -0.714 0.000 1.216 147 G CA 1.242 45.945 45.100 -0.662 0.000 0.786 147 G HN 0.517 nan 8.290 nan 0.000 0.583 148 A N 1.028 123.638 122.820 -0.351 0.000 1.958 148 A HA 0.083 4.402 4.320 -0.002 0.000 0.221 148 A C 2.843 180.351 177.584 -0.126 0.000 1.178 148 A CA 2.797 54.759 52.037 -0.125 0.000 0.642 148 A CB -0.890 18.194 19.000 0.140 0.000 0.816 148 A HN 1.070 nan 8.150 nan 0.000 0.453 149 A N -0.559 122.170 122.820 -0.152 0.000 1.877 149 A HA -0.146 4.173 4.320 -0.002 0.000 0.216 149 A C 2.175 179.671 177.584 -0.146 0.000 1.186 149 A CA 2.035 53.843 52.037 -0.382 0.000 0.620 149 A CB -0.472 18.375 19.000 -0.256 0.000 0.822 149 A HN 0.524 nan 8.150 nan 0.000 0.443 150 R N -0.582 119.913 120.500 -0.010 0.000 2.113 150 R HA -0.104 4.234 4.340 -0.002 0.000 0.231 150 R C 2.316 178.685 176.300 0.114 0.000 1.129 150 R CA 2.120 58.315 56.100 0.159 0.000 0.915 150 R CB -1.225 29.261 30.300 0.310 0.000 0.837 150 R HN 0.425 nan 8.270 nan 0.000 0.430 151 G N 0.548 109.336 108.800 -0.019 0.000 2.545 151 G HA2 -0.315 3.643 3.960 -0.002 0.000 0.222 151 G HA3 -0.315 3.643 3.960 -0.002 0.000 0.222 151 G C 1.451 176.345 174.900 -0.010 0.000 1.126 151 G CA 1.185 46.173 45.100 -0.186 0.000 0.754 151 G HN 0.334 nan 8.290 nan 0.000 0.583 152 L N -0.770 120.427 121.223 -0.045 0.000 2.131 152 L HA 0.005 4.344 4.340 -0.002 0.000 0.206 152 L C 2.595 179.437 176.870 -0.047 0.000 1.087 152 L CA 1.289 56.075 54.840 -0.090 0.000 0.767 152 L CB -0.384 41.562 42.059 -0.188 0.000 0.917 152 L HN 0.491 nan 8.230 nan 0.000 0.441 153 H N -0.983 118.094 119.070 0.012 0.000 2.270 153 H HA -0.331 4.223 4.556 -0.002 0.000 0.299 153 H C 2.226 177.634 175.328 0.133 0.000 1.077 153 H CA 2.320 58.452 56.048 0.139 0.000 1.294 153 H CB -0.439 29.384 29.762 0.102 0.000 1.371 153 H HN 0.359 nan 8.280 nan 0.000 0.491 154 Y N 1.068 121.248 120.300 -0.199 0.000 2.172 154 Y HA -0.294 4.255 4.550 -0.002 0.000 0.280 154 Y C 2.362 178.190 175.900 -0.118 0.000 1.209 154 Y CA 1.814 59.812 58.100 -0.171 0.000 1.171 154 Y CB -0.495 38.027 38.460 0.103 0.000 0.965 154 Y HN 0.229 nan 8.280 nan 0.000 0.520 155 L N -0.591 120.581 121.223 -0.085 0.000 2.109 155 L HA -0.166 4.173 4.340 -0.002 0.000 0.207 155 L C 2.218 178.966 176.870 -0.204 0.000 1.086 155 L CA 1.986 56.734 54.840 -0.153 0.000 0.760 155 L CB -0.785 41.246 42.059 -0.046 0.000 0.910 155 L HN 0.329 nan 8.230 nan 0.000 0.437 156 H N -2.281 116.762 119.070 -0.045 0.000 2.462 156 H HA -0.043 4.511 4.556 -0.002 0.000 0.292 156 H C 1.682 176.952 175.328 -0.097 0.000 1.049 156 H CA 1.299 57.330 56.048 -0.028 0.000 1.334 156 H CB 0.032 29.818 29.762 0.040 0.000 1.404 156 H HN 0.214 nan 8.280 nan 0.000 0.544 157 T N 0.460 114.941 114.554 -0.121 0.000 3.113 157 T HA 0.009 4.358 4.350 -0.002 0.000 0.263 157 T C 1.340 175.897 174.700 -0.238 0.000 1.143 157 T CA 0.731 62.703 62.100 -0.214 0.000 1.090 157 T CB 0.073 68.689 68.868 -0.420 0.000 0.922 157 T HN 0.371 nan 8.240 nan 0.000 0.521 158 R N -0.070 120.282 120.500 -0.246 0.000 2.596 158 R HA 0.540 4.878 4.340 -0.002 0.000 0.369 158 R C 1.115 177.349 176.300 -0.109 0.000 1.042 158 R CA 0.356 56.317 56.100 -0.231 0.000 1.120 158 R CB 0.494 30.578 30.300 -0.360 0.000 1.353 158 R HN 0.206 nan 8.270 nan 0.000 0.564 159 A N 1.015 123.806 122.820 -0.049 0.000 3.153 159 A HA -0.212 4.106 4.320 -0.002 0.000 0.265 159 A C 0.376 177.979 177.584 0.033 0.000 1.212 159 A CA 0.959 52.997 52.037 0.003 0.000 1.018 159 A CB -1.975 17.016 19.000 -0.015 0.000 1.130 159 A HN 0.313 nan 8.150 nan 0.000 0.873 160 I N 0.214 120.796 120.570 0.020 0.000 2.365 160 I HA 0.455 4.623 4.170 -0.002 0.000 0.291 160 I C 0.176 176.338 176.117 0.075 0.000 1.004 160 I CA -0.387 60.941 61.300 0.046 0.000 1.311 160 I CB 1.228 39.251 38.000 0.039 0.000 1.401 160 I HN 0.262 nan 8.210 nan 0.000 0.491 161 I N 5.658 126.298 120.570 0.117 0.000 2.382 161 I HA 0.151 4.320 4.170 -0.002 0.000 0.286 161 I C 1.200 177.425 176.117 0.180 0.000 1.002 161 I CA -0.457 60.945 61.300 0.171 0.000 1.135 161 I CB 1.335 39.430 38.000 0.157 0.000 1.288 161 I HN 0.651 nan 8.210 nan 0.000 0.448 162 H N 6.599 125.733 119.070 0.106 0.000 2.389 162 H HA -0.032 4.523 4.556 -0.002 0.000 0.299 162 H C 1.407 176.794 175.328 0.099 0.000 1.081 162 H CA 1.840 57.949 56.048 0.102 0.000 1.345 162 H CB 0.413 30.186 29.762 0.019 0.000 1.393 162 H HN 0.658 nan 8.280 nan 0.000 0.520 163 R N -0.888 119.792 120.500 0.299 0.000 3.902 163 R HA -0.220 4.119 4.340 -0.002 0.000 0.445 163 R C -0.318 176.150 176.300 0.280 0.000 0.709 163 R CA 1.686 57.954 56.100 0.280 0.000 1.607 163 R CB -1.300 29.132 30.300 0.221 0.000 2.233 163 R HN 0.381 nan 8.270 nan 0.000 0.430 164 D N 0.397 121.013 120.400 0.359 0.000 2.739 164 D HA 0.256 4.895 4.640 -0.002 0.000 0.335 164 D C -1.157 175.196 176.300 0.090 0.000 1.216 164 D CA -0.186 53.947 54.000 0.222 0.000 0.808 164 D CB 0.903 41.796 40.800 0.155 0.000 1.121 164 D HN -0.018 nan 8.370 nan 0.000 0.499 165 V N 3.114 123.010 119.914 -0.030 0.000 2.432 165 V HA 0.483 4.602 4.120 -0.002 0.000 0.275 165 V C 0.144 175.974 176.094 -0.441 0.000 1.043 165 V CA 0.036 62.191 62.300 -0.242 0.000 0.925 165 V CB 1.015 32.793 31.823 -0.075 0.000 0.985 165 V HN 0.447 nan 8.190 nan 0.000 0.466 166 K N 1.826 121.912 120.400 -0.522 0.000 2.625 166 K HA 0.312 4.631 4.320 -0.002 0.000 0.284 166 K C 0.848 177.251 176.600 -0.329 0.000 0.984 166 K CA -0.046 55.769 56.287 -0.786 0.000 0.865 166 K CB 1.198 32.862 32.500 -1.393 0.000 1.468 166 K HN 0.439 nan 8.250 nan 0.000 0.407 167 S N 1.392 117.000 115.700 -0.153 0.000 2.393 167 S HA -0.287 4.182 4.470 -0.002 0.000 0.234 167 S C 1.814 176.384 174.600 -0.050 0.000 1.064 167 S CA 1.955 60.130 58.200 -0.041 0.000 1.088 167 S CB -1.049 62.190 63.200 0.066 0.000 0.939 167 S HN 0.585 nan 8.310 nan 0.000 0.448 168 I N 2.346 122.882 120.570 -0.055 0.000 2.361 168 I HA -0.125 4.044 4.170 -0.002 0.000 0.251 168 I C 1.912 177.980 176.117 -0.081 0.000 1.133 168 I CA 1.180 62.454 61.300 -0.043 0.000 1.413 168 I CB -0.668 37.317 38.000 -0.025 0.000 1.073 168 I HN 0.300 nan 8.210 nan 0.000 0.424 169 N N 1.188 119.809 118.700 -0.132 0.000 2.521 169 N HA 0.122 4.861 4.740 -0.002 0.000 0.188 169 N C 0.422 175.838 175.510 -0.157 0.000 1.146 169 N CA 0.649 53.606 53.050 -0.155 0.000 0.893 169 N CB 0.185 38.553 38.487 -0.197 0.000 0.975 169 N HN 0.346 nan 8.380 nan 0.000 0.451 170 I N 1.939 122.435 120.570 -0.123 0.000 2.310 170 I HA 0.139 4.308 4.170 -0.002 0.000 0.287 170 I C -0.197 175.881 176.117 -0.065 0.000 1.073 170 I CA -0.616 60.627 61.300 -0.095 0.000 1.216 170 I CB 0.526 38.478 38.000 -0.080 0.000 1.415 170 I HN -0.266 nan 8.210 nan 0.000 0.480 171 L N 6.890 128.069 121.223 -0.073 0.000 2.470 171 L HA 0.447 4.786 4.340 -0.002 0.000 0.243 171 L C -0.075 176.758 176.870 -0.061 0.000 1.227 171 L CA -0.013 54.783 54.840 -0.072 0.000 0.824 171 L CB 0.222 42.219 42.059 -0.102 0.000 1.175 171 L HN 0.382 nan 8.230 nan 0.000 0.503 172 L N -0.237 120.934 121.223 -0.088 0.000 2.482 172 L HA 0.397 4.735 4.340 -0.002 0.000 0.263 172 L C -1.144 175.610 176.870 -0.193 0.000 0.957 172 L CA -0.876 53.901 54.840 -0.106 0.000 0.836 172 L CB 2.115 44.117 42.059 -0.095 0.000 1.324 172 L HN 0.691 nan 8.230 nan 0.000 0.406 173 D N -0.312 119.981 120.400 -0.178 0.000 2.567 173 D HA 0.173 4.812 4.640 -0.002 0.000 0.275 173 D C 0.631 176.765 176.300 -0.275 0.000 1.195 173 D CA -0.547 53.340 54.000 -0.190 0.000 1.087 173 D CB 0.438 41.185 40.800 -0.088 0.000 1.165 173 D HN 0.528 nan 8.370 nan 0.000 0.609 174 E N -1.177 118.918 120.200 -0.175 0.000 2.339 174 E HA -0.178 4.171 4.350 -0.002 0.000 0.201 174 E C 0.186 176.693 176.600 -0.156 0.000 1.015 174 E CA 0.946 57.253 56.400 -0.154 0.000 0.841 174 E CB -0.213 29.455 29.700 -0.052 0.000 0.754 174 E HN 0.261 nan 8.360 nan 0.000 0.508 175 N N -0.626 118.000 118.700 -0.124 0.000 2.377 175 N HA 0.111 4.850 4.740 -0.002 0.000 0.259 175 N C -0.953 174.635 175.510 0.129 0.000 1.332 175 N CA -0.164 52.897 53.050 0.020 0.000 0.877 175 N CB 0.346 38.865 38.487 0.053 0.000 1.299 175 N HN 0.018 nan 8.380 nan 0.000 0.501 176 F N -0.444 119.487 119.950 -0.032 0.000 3.027 176 F HA -0.244 4.282 4.527 -0.002 0.000 0.276 176 F C -0.239 175.536 175.800 -0.042 0.000 0.967 176 F CA 0.080 58.040 58.000 -0.067 0.000 0.929 176 F CB -1.875 37.069 39.000 -0.094 0.000 0.873 176 F HN -0.179 nan 8.300 nan 0.000 0.787 177 V N 0.492 120.456 119.914 0.084 0.000 2.364 177 V HA 0.318 4.437 4.120 -0.002 0.000 0.272 177 V C -1.519 174.624 176.094 0.081 0.000 1.036 177 V CA -2.053 60.316 62.300 0.115 0.000 0.880 177 V CB 0.962 32.861 31.823 0.127 0.000 0.991 177 V HN -0.117 nan 8.190 nan 0.000 0.460 178 P HA 0.034 nan 4.420 nan 0.000 0.271 178 P C -0.398 176.924 177.300 0.036 0.000 1.212 178 P CA 0.241 63.310 63.100 -0.051 0.000 0.788 178 P CB 0.320 31.874 31.700 -0.243 0.000 0.865 179 K N 1.825 122.227 120.400 0.003 0.000 2.618 179 K HA 0.202 4.521 4.320 -0.002 0.000 0.322 179 K C -1.001 175.606 176.600 0.012 0.000 1.267 179 K CA -0.417 55.898 56.287 0.047 0.000 1.083 179 K CB 0.747 33.272 32.500 0.043 0.000 1.386 179 K HN 0.253 nan 8.250 nan 0.000 0.509 180 I N 1.907 122.494 120.570 0.029 0.000 2.598 180 I HA 0.106 4.275 4.170 -0.002 0.000 0.284 180 I C 1.210 177.297 176.117 -0.050 0.000 1.140 180 I CA 0.436 61.704 61.300 -0.055 0.000 1.420 180 I CB 0.237 38.208 38.000 -0.049 0.000 1.387 180 I HN 0.410 nan 8.210 nan 0.000 0.553 181 T N 4.148 118.583 114.554 -0.198 0.000 2.841 181 T HA 0.221 4.569 4.350 -0.002 0.000 0.276 181 T C -0.412 174.092 174.700 -0.326 0.000 1.003 181 T CA -0.447 61.538 62.100 -0.191 0.000 0.995 181 T CB 0.938 69.704 68.868 -0.169 0.000 1.260 181 T HN 0.816 nan 8.240 nan 0.000 0.581 182 D N 0.493 120.793 120.400 -0.167 0.000 3.617 182 D HA -0.159 4.480 4.640 -0.002 0.000 0.226 182 D C -0.212 175.917 176.300 -0.286 0.000 1.125 182 D CA 0.450 54.389 54.000 -0.102 0.000 1.083 182 D CB -0.715 40.045 40.800 -0.065 0.000 0.833 182 D HN 0.468 nan 8.370 nan 0.000 0.399 183 F N 0.842 120.743 119.950 -0.082 0.000 2.505 183 F HA 0.181 4.707 4.527 -0.002 0.000 0.289 183 F C 2.680 178.373 175.800 -0.178 0.000 1.101 183 F CA 0.502 58.349 58.000 -0.256 0.000 1.446 183 F CB -0.344 38.564 39.000 -0.154 0.000 1.123 183 F HN 0.446 nan 8.300 nan 0.000 0.564 184 G N 1.818 110.676 108.800 0.097 0.000 3.004 184 G HA2 -0.346 3.612 3.960 -0.002 0.000 0.228 184 G HA3 -0.346 3.612 3.960 -0.002 0.000 0.228 184 G C 1.562 176.491 174.900 0.048 0.000 1.089 184 G CA 1.833 46.975 45.100 0.070 0.000 0.735 184 G HN 0.312 nan 8.290 nan 0.000 0.662 185 I N 1.798 122.380 120.570 0.020 0.000 2.617 185 I HA 0.012 4.181 4.170 -0.002 0.000 0.256 185 I C 1.849 177.988 176.117 0.037 0.000 1.167 185 I CA 0.684 62.008 61.300 0.040 0.000 1.469 185 I CB -1.555 36.474 38.000 0.048 0.000 1.098 185 I HN 0.277 nan 8.210 nan 0.000 0.436 186 S N 2.477 118.173 115.700 -0.006 0.000 2.558 186 S HA 0.067 4.535 4.470 -0.002 0.000 0.287 186 S C -0.020 174.611 174.600 0.051 0.000 1.321 186 S CA -0.352 57.863 58.200 0.024 0.000 1.048 186 S CB 0.960 64.188 63.200 0.047 0.000 0.844 186 S HN 0.307 nan 8.310 nan 0.000 0.512 187 K N 0.854 121.294 120.400 0.066 0.000 2.345 187 K HA 0.439 4.758 4.320 -0.002 0.000 0.255 187 K C -1.045 175.587 176.600 0.052 0.000 0.934 187 K CA -0.542 55.778 56.287 0.055 0.000 0.801 187 K CB 1.503 34.039 32.500 0.060 0.000 1.137 187 K HN 0.709 nan 8.250 nan 0.000 0.424 188 K N 2.763 123.187 120.400 0.040 0.000 2.307 188 K HA 0.517 4.836 4.320 -0.002 0.000 0.263 188 K C -0.373 176.240 176.600 0.021 0.000 0.973 188 K CA -0.773 55.538 56.287 0.040 0.000 0.846 188 K CB 1.356 33.890 32.500 0.057 0.000 1.100 188 K HN 0.824 nan 8.250 nan 0.000 0.438 189 G N 1.315 110.122 108.800 0.013 0.000 2.535 189 G HA2 0.169 4.128 3.960 -0.002 0.000 0.303 189 G HA3 0.169 4.128 3.960 -0.002 0.000 0.303 189 G C 0.355 175.245 174.900 -0.016 0.000 1.237 189 G CA -0.362 44.733 45.100 -0.008 0.000 0.986 189 G HN 0.644 nan 8.290 nan 0.000 0.494 190 T N -0.467 114.069 114.554 -0.029 0.000 2.904 190 T HA 0.004 4.353 4.350 -0.002 0.000 0.243 190 T C 1.956 176.638 174.700 -0.031 0.000 1.024 190 T CA 0.875 62.958 62.100 -0.030 0.000 1.158 190 T CB -0.233 68.615 68.868 -0.034 0.000 0.867 190 T HN 0.452 nan 8.240 nan 0.000 0.429 191 E N 0.810 120.989 120.200 -0.035 0.000 2.501 191 E HA 0.028 4.377 4.350 -0.002 0.000 0.203 191 E C -0.033 176.557 176.600 -0.015 0.000 1.072 191 E CA 0.004 56.390 56.400 -0.025 0.000 0.885 191 E CB -1.150 28.535 29.700 -0.025 0.000 0.813 191 E HN 0.364 nan 8.360 nan 0.000 0.556 192 L N -1.071 120.140 121.223 -0.019 0.000 3.790 192 L HA -0.356 3.982 4.340 -0.002 0.000 0.602 192 L C 1.007 177.873 176.870 -0.006 0.000 1.172 192 L CA 0.463 55.290 54.840 -0.022 0.000 0.901 192 L CB -1.410 40.626 42.059 -0.039 0.000 1.342 192 L HN 0.451 nan 8.230 nan 0.000 0.820 193 G N -0.279 108.529 108.800 0.014 0.000 2.953 193 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.201 193 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.201 193 G C 0.480 175.404 174.900 0.040 0.000 1.501 193 G CA 0.172 45.291 45.100 0.031 0.000 1.094 193 G HN 0.394 nan 8.290 nan 0.000 0.555 194 Q N 2.257 122.084 119.800 0.045 0.000 2.515 194 Q HA 0.122 4.460 4.340 -0.002 0.000 0.214 194 Q C 0.611 176.709 176.000 0.162 0.000 0.971 194 Q CA 0.904 56.759 55.803 0.087 0.000 0.952 194 Q CB -0.170 28.616 28.738 0.080 0.000 0.999 194 Q HN 0.735 nan 8.270 nan 0.000 0.524 195 T N 0.694 115.289 114.554 0.069 0.000 2.902 195 T HA 0.007 4.356 4.350 -0.002 0.000 0.301 195 T C 0.088 174.822 174.700 0.057 0.000 1.012 195 T CA -0.154 61.937 62.100 -0.015 0.000 1.151 195 T CB 0.329 69.172 68.868 -0.042 0.000 0.946 195 T HN 0.245 nan 8.240 nan 0.000 0.542 196 H N 2.990 122.046 119.070 -0.023 0.000 2.490 196 H HA 0.370 4.924 4.556 -0.002 0.000 0.230 196 H C -0.146 175.160 175.328 -0.037 0.000 1.417 196 H CA -0.964 55.063 56.048 -0.036 0.000 1.449 196 H CB -0.673 29.072 29.762 -0.029 0.000 1.649 196 H HN 0.692 nan 8.280 nan 0.000 0.519 201 V N 5.566 125.455 119.914 -0.043 0.000 2.450 201 V HA 0.285 4.404 4.120 -0.002 0.000 0.281 201 V C 0.392 176.386 176.094 -0.167 0.000 1.019 201 V CA 0.302 62.420 62.300 -0.304 0.000 1.062 201 V CB 0.379 31.924 31.823 -0.463 0.000 0.979 201 V HN 0.820 nan 8.190 nan 0.000 0.477 202 K N 3.359 123.687 120.400 -0.120 0.000 2.395 202 K HA 0.886 5.205 4.320 -0.002 0.000 0.247 202 K C 0.100 176.751 176.600 0.085 0.000 0.973 202 K CA -0.414 55.899 56.287 0.043 0.000 0.828 202 K CB 2.511 35.083 32.500 0.120 0.000 1.272 202 K HN 0.922 nan 8.250 nan 0.000 0.439 203 G N 0.141 109.007 108.800 0.110 0.000 2.381 203 G HA2 -0.109 3.849 3.960 -0.002 0.000 0.672 203 G HA3 -0.109 3.849 3.960 -0.002 0.000 0.672 203 G C -1.081 173.898 174.900 0.131 0.000 1.324 203 G CA -1.125 44.058 45.100 0.139 0.000 0.975 203 G HN 0.390 nan 8.290 nan 0.000 0.593 204 T N 1.143 115.796 114.554 0.165 0.000 2.851 204 T HA 0.278 4.627 4.350 -0.002 0.000 0.298 204 T C 1.881 176.696 174.700 0.191 0.000 0.977 204 T CA 0.393 62.609 62.100 0.194 0.000 1.126 204 T CB 1.277 70.314 68.868 0.282 0.000 0.916 204 T HN 1.048 nan 8.240 nan 0.000 0.529 205 L N 3.832 125.119 121.223 0.107 0.000 2.211 205 L HA -0.081 4.258 4.340 -0.002 0.000 0.216 205 L C 2.113 178.974 176.870 -0.016 0.000 1.092 205 L CA 2.131 56.986 54.840 0.024 0.000 0.767 205 L CB -0.625 41.436 42.059 0.004 0.000 0.894 205 L HN 0.834 nan 8.230 nan 0.000 0.437 206 G N -3.306 105.503 108.800 0.015 0.000 2.833 206 G HA2 -0.104 3.855 3.960 -0.002 0.000 0.210 206 G HA3 -0.104 3.855 3.960 -0.002 0.000 0.210 206 G C 0.969 175.816 174.900 -0.088 0.000 1.139 206 G CA 0.295 45.337 45.100 -0.098 0.000 0.771 206 G HN 0.476 nan 8.290 nan 0.000 0.535 207 Y N 0.599 120.972 120.300 0.122 0.000 2.509 207 Y HA 0.337 4.886 4.550 -0.002 0.000 0.270 207 Y C 1.388 177.468 175.900 0.300 0.000 1.103 207 Y CA -1.039 57.180 58.100 0.199 0.000 1.278 207 Y CB 0.290 38.836 38.460 0.143 0.000 1.087 207 Y HN -0.063 nan 8.280 nan 0.000 0.542 208 I N 1.797 122.564 120.570 0.329 0.000 3.115 208 I HA -0.233 3.936 4.170 -0.002 0.000 0.315 208 I C 0.526 176.722 176.117 0.132 0.000 1.211 208 I CA 0.477 61.912 61.300 0.225 0.000 1.453 208 I CB -0.053 37.995 38.000 0.080 0.000 1.307 208 I HN 0.216 nan 8.210 nan 0.000 0.568 209 D N 8.733 129.219 120.400 0.143 0.000 2.358 209 D HA 0.082 4.721 4.640 -0.002 0.000 0.258 209 D C -1.396 174.836 176.300 -0.115 0.000 1.223 209 D CA -1.796 52.138 54.000 -0.110 0.000 0.886 209 D CB 1.231 42.136 40.800 0.176 0.000 1.120 209 D HN 0.253 nan 8.370 nan 0.000 0.482 210 P HA -0.145 nan 4.420 nan 0.000 0.220 210 P C 1.059 178.377 177.300 0.031 0.000 1.148 210 P CA 0.850 63.868 63.100 -0.137 0.000 0.803 210 P CB 0.473 32.046 31.700 -0.211 0.000 0.782 211 E N -1.377 118.824 120.200 0.001 0.000 2.112 211 E HA -0.177 4.172 4.350 -0.002 0.000 0.190 211 E C 1.989 178.691 176.600 0.170 0.000 0.979 211 E CA 0.309 56.752 56.400 0.072 0.000 0.814 211 E CB -0.409 29.314 29.700 0.039 0.000 0.762 211 E HN 0.001 nan 8.360 nan 0.000 0.460 212 Y N 0.886 121.207 120.300 0.034 0.000 2.053 212 Y HA -0.292 4.257 4.550 -0.002 0.000 0.277 212 Y C 1.823 177.774 175.900 0.085 0.000 1.159 212 Y CA 1.692 59.831 58.100 0.065 0.000 1.125 212 Y CB -1.150 37.363 38.460 0.088 0.000 0.969 212 Y HN 0.130 nan 8.280 nan 0.000 0.492 213 F N 0.945 120.933 119.950 0.062 0.000 1.997 213 F HA -0.275 4.251 4.527 -0.002 0.000 0.296 213 F C 2.646 178.446 175.800 0.000 0.000 1.160 213 F CA 2.692 60.653 58.000 -0.066 0.000 1.176 213 F CB -1.019 37.931 39.000 -0.085 0.000 0.964 213 F HN 0.120 nan 8.300 nan 0.000 0.484 214 I N -1.184 119.530 120.570 0.241 0.000 2.399 214 I HA -0.292 3.877 4.170 -0.002 0.000 0.254 214 I C 1.803 177.939 176.117 0.032 0.000 1.146 214 I CA 1.818 63.190 61.300 0.121 0.000 1.412 214 I CB -0.447 37.640 38.000 0.146 0.000 1.076 214 I HN 0.244 nan 8.210 nan 0.000 0.432 215 K N 0.634 121.071 120.400 0.061 0.000 2.214 215 K HA 0.381 4.700 4.320 -0.002 0.000 0.210 215 K C 1.361 177.996 176.600 0.058 0.000 1.036 215 K CA 0.793 57.113 56.287 0.055 0.000 0.958 215 K CB 0.267 32.808 32.500 0.069 0.000 0.973 215 K HN 0.478 nan 8.250 nan 0.000 0.466 216 G N 2.058 110.939 108.800 0.136 0.000 2.173 216 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.142 216 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.142 216 G C -0.569 174.433 174.900 0.171 0.000 1.019 216 G CA -0.375 44.830 45.100 0.175 0.000 0.699 216 G HN 0.281 nan 8.290 nan 0.000 0.495 217 R N 0.162 120.727 120.500 0.108 0.000 2.239 217 R HA 0.725 5.064 4.340 -0.002 0.000 0.332 217 R C -0.339 175.840 176.300 -0.201 0.000 0.988 217 R CA -1.031 55.064 56.100 -0.008 0.000 0.859 217 R CB 1.663 31.979 30.300 0.027 0.000 1.148 217 R HN 0.230 nan 8.270 nan 0.000 0.482 218 L N 3.750 124.753 121.223 -0.367 0.000 2.325 218 L HA 0.264 4.602 4.340 -0.002 0.000 0.284 218 L C -0.427 176.314 176.870 -0.215 0.000 1.089 218 L CA 0.538 55.035 54.840 -0.573 0.000 0.836 218 L CB 1.168 42.854 42.059 -0.621 0.000 1.184 218 L HN 0.881 nan 8.230 nan 0.000 0.444 219 T N 0.155 114.621 114.554 -0.147 0.000 2.829 219 T HA 0.363 4.712 4.350 -0.002 0.000 0.280 219 T C 0.850 175.537 174.700 -0.021 0.000 0.999 219 T CA -0.153 61.926 62.100 -0.035 0.000 0.983 219 T CB 1.228 70.095 68.868 -0.001 0.000 0.968 219 T HN 0.737 nan 8.240 nan 0.000 0.446 220 E N 1.559 121.760 120.200 0.002 0.000 2.401 220 E HA -0.231 4.118 4.350 -0.002 0.000 0.204 220 E C 1.449 177.966 176.600 -0.140 0.000 1.036 220 E CA 0.901 57.298 56.400 -0.006 0.000 0.856 220 E CB -0.139 29.535 29.700 -0.043 0.000 0.770 220 E HN 0.428 nan 8.360 nan 0.000 0.527 221 K N 0.605 120.961 120.400 -0.074 0.000 2.288 221 K HA 0.049 4.368 4.320 -0.002 0.000 0.201 221 K C 2.036 178.688 176.600 0.087 0.000 1.048 221 K CA 0.778 57.049 56.287 -0.026 0.000 0.956 221 K CB -0.016 32.483 32.500 -0.001 0.000 0.746 221 K HN 0.142 nan 8.250 nan 0.000 0.461 222 S N 1.706 117.471 115.700 0.107 0.000 2.368 222 S HA -0.144 4.325 4.470 -0.002 0.000 0.225 222 S C 1.369 176.140 174.600 0.284 0.000 1.030 222 S CA 1.261 59.581 58.200 0.199 0.000 0.999 222 S CB -0.175 63.120 63.200 0.158 0.000 0.844 222 S HN 0.276 nan 8.310 nan 0.000 0.459 223 D N 1.024 121.585 120.400 0.268 0.000 2.182 223 D HA -0.073 4.566 4.640 -0.002 0.000 0.201 223 D C 1.922 178.398 176.300 0.294 0.000 0.986 223 D CA 0.667 54.857 54.000 0.316 0.000 0.847 223 D CB -0.240 40.832 40.800 0.454 0.000 0.942 223 D HN 0.239 nan 8.370 nan 0.000 0.467 224 V N 0.260 120.310 119.914 0.225 0.000 2.323 224 V HA -0.247 3.872 4.120 -0.002 0.000 0.244 224 V C 2.161 178.402 176.094 0.245 0.000 1.041 224 V CA 1.258 63.676 62.300 0.197 0.000 1.025 224 V CB -0.819 31.062 31.823 0.096 0.000 0.656 224 V HN 0.160 nan 8.190 nan 0.000 0.451 225 Y N 1.699 122.096 120.300 0.162 0.000 2.069 225 Y HA -0.330 4.219 4.550 -0.002 0.000 0.278 225 Y C 2.810 178.836 175.900 0.209 0.000 1.175 225 Y CA 2.207 60.407 58.100 0.168 0.000 1.134 225 Y CB -0.405 38.151 38.460 0.161 0.000 0.965 225 Y HN 0.205 nan 8.280 nan 0.000 0.498 226 S N 0.013 115.936 115.700 0.372 0.000 2.353 226 S HA -0.237 4.231 4.470 -0.002 0.000 0.222 226 S C 1.775 176.519 174.600 0.239 0.000 1.035 226 S CA 1.502 59.911 58.200 0.350 0.000 1.025 226 S CB -0.935 62.465 63.200 0.334 0.000 0.902 226 S HN 0.566 nan 8.310 nan 0.000 0.440 227 F N 2.438 122.432 119.950 0.074 0.000 2.216 227 F HA -0.013 4.513 4.527 -0.002 0.000 0.300 227 F C 2.264 178.042 175.800 -0.037 0.000 1.085 227 F CA 0.996 59.002 58.000 0.011 0.000 1.326 227 F CB -0.887 38.113 39.000 0.000 0.000 1.027 227 F HN 0.232 nan 8.300 nan 0.000 0.497 228 G N -0.068 108.762 108.800 0.051 0.000 2.491 228 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.218 228 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.218 228 G C 1.740 176.552 174.900 -0.147 0.000 1.180 228 G CA 1.446 46.478 45.100 -0.113 0.000 0.774 228 G HN 0.312 nan 8.290 nan 0.000 0.562 229 V N 0.628 120.497 119.914 -0.075 0.000 2.295 229 V HA -0.187 3.931 4.120 -0.002 0.000 0.246 229 V C 3.045 179.182 176.094 0.071 0.000 1.049 229 V CA 1.535 63.859 62.300 0.040 0.000 1.024 229 V CB -0.760 31.057 31.823 -0.010 0.000 0.648 229 V HN 0.246 nan 8.190 nan 0.000 0.447 230 V N 0.046 119.975 119.914 0.025 0.000 2.278 230 V HA -0.346 3.772 4.120 -0.002 0.000 0.251 230 V C 2.386 178.385 176.094 -0.159 0.000 1.062 230 V CA 2.330 64.584 62.300 -0.077 0.000 1.038 230 V CB -0.736 30.877 31.823 -0.349 0.000 0.646 230 V HN 0.449 nan 8.190 nan 0.000 0.447 231 L N -1.606 119.420 121.223 -0.329 0.000 1.990 231 L HA -0.214 4.125 4.340 -0.002 0.000 0.213 231 L C 2.463 179.380 176.870 0.078 0.000 1.072 231 L CA 1.922 56.630 54.840 -0.220 0.000 0.755 231 L CB -0.666 41.097 42.059 -0.494 0.000 0.889 231 L HN 0.241 nan 8.230 nan 0.000 0.432 232 F N 0.273 120.283 119.950 0.100 0.000 2.102 232 F HA -0.239 4.287 4.527 -0.002 0.000 0.298 232 F C 2.632 178.477 175.800 0.075 0.000 1.105 232 F CA 1.657 59.723 58.000 0.110 0.000 1.239 232 F CB -0.727 38.292 39.000 0.031 0.000 0.991 232 F HN 0.161 nan 8.300 nan 0.000 0.474 233 E N 0.156 120.503 120.200 0.244 0.000 2.253 233 E HA -0.214 4.135 4.350 -0.002 0.000 0.202 233 E C 1.962 178.646 176.600 0.139 0.000 1.014 233 E CA 1.481 57.978 56.400 0.161 0.000 0.823 233 E CB -0.039 29.750 29.700 0.149 0.000 0.736 233 E HN 0.257 nan 8.360 nan 0.000 0.478 234 V N 0.265 120.262 119.914 0.139 0.000 2.426 234 V HA -0.148 3.970 4.120 -0.002 0.000 0.242 234 V C 2.194 178.365 176.094 0.127 0.000 1.036 234 V CA 1.173 63.547 62.300 0.123 0.000 1.044 234 V CB -0.358 31.536 31.823 0.119 0.000 0.688 234 V HN 0.291 nan 8.190 nan 0.000 0.462 235 L N 0.175 121.473 121.223 0.124 0.000 2.005 235 L HA -0.147 4.191 4.340 -0.002 0.000 0.207 235 L C 2.422 179.296 176.870 0.007 0.000 1.072 235 L CA 2.328 57.160 54.840 -0.014 0.000 0.744 235 L CB -0.656 41.364 42.059 -0.065 0.000 0.895 235 L HN 0.366 nan 8.230 nan 0.000 0.433 236 C N -0.351 119.008 119.300 0.097 0.000 2.462 236 C HA 0.255 4.713 4.460 -0.002 0.000 0.278 236 C C 2.184 177.205 174.990 0.051 0.000 1.253 236 C CA 0.529 59.587 59.018 0.067 0.000 1.713 236 C CB -1.115 26.683 27.740 0.097 0.000 2.049 236 C HN 0.846 nan 8.230 nan 0.000 0.477 237 A N -0.823 122.045 122.820 0.079 0.000 3.384 237 A HA -0.226 4.093 4.320 -0.002 0.000 0.260 237 A C 1.145 178.773 177.584 0.074 0.000 1.168 237 A CA 0.955 53.047 52.037 0.091 0.000 1.253 237 A CB -1.815 17.234 19.000 0.082 0.000 1.122 237 A HN 0.566 nan 8.150 nan 0.000 0.934 238 R N 1.383 121.913 120.500 0.049 0.000 4.559 238 R HA 0.177 4.516 4.340 -0.002 0.000 0.177 238 R C 1.410 177.733 176.300 0.038 0.000 1.875 238 R CA 0.997 57.102 56.100 0.007 0.000 1.509 238 R CB -0.971 29.344 30.300 0.026 0.000 1.395 238 R HN 0.844 nan 8.270 nan 0.000 0.830 239 S N 1.062 116.811 115.700 0.082 0.000 2.481 239 S HA -0.246 4.223 4.470 -0.002 0.000 0.253 239 S C 1.735 176.391 174.600 0.094 0.000 0.998 239 S CA 1.452 59.735 58.200 0.138 0.000 0.972 239 S CB 0.042 63.400 63.200 0.263 0.000 0.751 239 S HN 0.638 nan 8.310 nan 0.000 0.515 240 A N 1.298 124.131 122.820 0.021 0.000 1.969 240 A HA 0.101 4.420 4.320 -0.002 0.000 0.218 240 A C 1.767 179.332 177.584 -0.031 0.000 1.169 240 A CA 1.272 53.302 52.037 -0.012 0.000 0.635 240 A CB -0.838 18.123 19.000 -0.065 0.000 0.810 240 A HN 1.200 nan 8.150 nan 0.000 0.445 241 I N -2.695 117.850 120.570 -0.042 0.000 4.866 241 I HA -0.356 3.813 4.170 -0.002 0.000 0.040 241 I C 0.652 176.698 176.117 -0.119 0.000 0.634 241 I CA 2.070 63.294 61.300 -0.126 0.000 0.370 241 I CB -1.096 36.703 38.000 -0.335 0.000 0.414 241 I HN 0.350 nan 8.210 nan 0.000 0.152 242 V N 3.294 123.129 119.914 -0.132 0.000 2.368 242 V HA 0.490 4.609 4.120 -0.002 0.000 0.266 242 V C -0.304 175.747 176.094 -0.072 0.000 1.045 242 V CA 0.197 62.439 62.300 -0.097 0.000 0.899 242 V CB 0.947 32.711 31.823 -0.097 0.000 1.006 242 V HN 0.574 nan 8.190 nan 0.000 0.470 243 Q N 4.741 124.494 119.800 -0.079 0.000 2.327 243 Q HA 0.440 4.779 4.340 -0.002 0.000 0.270 243 Q C -0.152 175.797 176.000 -0.085 0.000 1.022 243 Q CA 0.075 55.830 55.803 -0.080 0.000 0.773 243 Q CB 2.031 30.709 28.738 -0.100 0.000 1.251 243 Q HN 0.673 nan 8.270 nan 0.000 0.457 244 S N 4.875 120.534 115.700 -0.068 0.000 2.767 244 S HA 0.287 4.756 4.470 -0.002 0.000 0.253 244 S C 0.466 175.025 174.600 -0.069 0.000 1.082 244 S CA -0.006 58.156 58.200 -0.064 0.000 1.148 244 S CB -0.168 63.004 63.200 -0.046 0.000 0.808 244 S HN 0.736 nan 8.310 nan 0.000 0.466 245 L N -0.279 120.891 121.223 -0.087 0.000 3.154 245 L HA 0.216 4.554 4.340 -0.002 0.000 0.280 245 L C -1.389 175.414 176.870 -0.111 0.000 1.134 245 L CA -0.278 54.509 54.840 -0.087 0.000 1.037 245 L CB -0.662 41.352 42.059 -0.075 0.000 1.571 245 L HN 0.237 nan 8.230 nan 0.000 0.576 246 P HA 0.136 nan 4.420 nan 0.000 0.320 246 P C 0.540 177.735 177.300 -0.174 0.000 1.421 246 P CA -0.104 62.886 63.100 -0.185 0.000 0.868 246 P CB 0.251 31.788 31.700 -0.272 0.000 2.140 247 R N -0.197 120.170 120.500 -0.222 0.000 1.752 247 R HA 0.313 4.651 4.340 -0.002 0.000 0.123 247 R C 1.658 177.864 176.300 -0.156 0.000 1.996 247 R CA -0.092 55.904 56.100 -0.174 0.000 1.800 247 R CB -0.797 29.394 30.300 -0.181 0.000 1.356 247 R HN 0.061 nan 8.270 nan 0.000 0.507 248 E N 0.515 120.622 120.200 -0.155 0.000 2.474 248 E HA 0.127 4.476 4.350 -0.002 0.000 0.195 248 E C 0.620 177.141 176.600 -0.132 0.000 1.039 248 E CA -0.106 56.230 56.400 -0.108 0.000 0.881 248 E CB 0.351 30.015 29.700 -0.059 0.000 0.970 248 E HN 0.474 nan 8.360 nan 0.000 0.486 249 M N -0.747 118.686 119.600 -0.280 0.000 3.092 249 M HA 0.169 4.648 4.480 -0.002 0.000 0.228 249 M C 1.013 177.121 176.300 -0.319 0.000 1.301 249 M CA -0.006 55.040 55.300 -0.423 0.000 1.216 249 M CB 0.479 32.343 32.600 -1.226 0.000 1.356 249 M HN -0.070 nan 8.290 nan 0.000 0.463 250 V N 0.924 120.737 119.914 -0.168 0.000 2.255 250 V HA -0.073 4.046 4.120 -0.002 0.000 0.243 250 V C 1.112 177.159 176.094 -0.079 0.000 1.038 250 V CA 1.533 63.758 62.300 -0.125 0.000 1.008 250 V CB -0.162 31.605 31.823 -0.093 0.000 0.645 250 V HN 0.845 nan 8.190 nan 0.000 0.449 251 N N 1.510 120.188 118.700 -0.036 0.000 2.421 251 N HA 0.005 4.744 4.740 -0.002 0.000 0.260 251 N C 0.935 176.460 175.510 0.026 0.000 1.173 251 N CA 0.167 53.207 53.050 -0.015 0.000 0.960 251 N CB 0.943 39.430 38.487 -0.000 0.000 1.273 251 N HN 0.493 nan 8.380 nan 0.000 0.497 252 L N 5.489 126.715 121.223 0.006 0.000 2.113 252 L HA -0.334 4.005 4.340 -0.002 0.000 0.221 252 L C 2.024 178.860 176.870 -0.056 0.000 1.084 252 L CA 2.527 57.381 54.840 0.022 0.000 0.787 252 L CB -0.714 41.340 42.059 -0.010 0.000 0.893 252 L HN 0.617 nan 8.230 nan 0.000 0.440 253 A N -0.940 121.853 122.820 -0.044 0.000 1.834 253 A HA -0.317 4.001 4.320 -0.002 0.000 0.216 253 A C 2.294 179.855 177.584 -0.038 0.000 1.203 253 A CA 2.003 54.012 52.037 -0.048 0.000 0.621 253 A CB -1.048 17.956 19.000 0.006 0.000 0.841 253 A HN 0.610 nan 8.150 nan 0.000 0.446 254 E N -1.311 118.913 120.200 0.040 0.000 2.130 254 E HA -0.239 4.110 4.350 -0.002 0.000 0.196 254 E C 1.899 178.551 176.600 0.086 0.000 0.998 254 E CA 1.434 57.874 56.400 0.066 0.000 0.806 254 E CB -0.239 29.509 29.700 0.080 0.000 0.738 254 E HN 0.834 nan 8.360 nan 0.000 0.459 255 W N 0.454 121.677 121.300 -0.127 0.000 2.413 255 W HA -0.111 4.548 4.660 -0.002 0.000 0.315 255 W C 2.065 178.463 176.519 -0.201 0.000 1.186 255 W CA 1.210 58.470 57.345 -0.142 0.000 1.326 255 W CB -0.238 29.138 29.460 -0.140 0.000 1.153 255 W HN 0.098 nan 8.180 nan 0.000 0.489 256 A N 0.501 122.991 122.820 -0.551 0.000 2.067 256 A HA -0.098 4.221 4.320 -0.002 0.000 0.219 256 A C 1.984 179.202 177.584 -0.610 0.000 1.158 256 A CA 1.610 53.114 52.037 -0.887 0.000 0.661 256 A CB -0.971 17.150 19.000 -1.465 0.000 0.801 256 A HN 0.215 nan 8.150 nan 0.000 0.452 257 V N -0.063 119.636 119.914 -0.359 0.000 2.223 257 V HA -0.277 3.841 4.120 -0.002 0.000 0.244 257 V C 2.526 178.554 176.094 -0.110 0.000 1.045 257 V CA 2.436 64.657 62.300 -0.132 0.000 1.000 257 V CB -0.500 31.306 31.823 -0.027 0.000 0.635 257 V HN 0.815 nan 8.190 nan 0.000 0.445 258 E N -0.509 119.617 120.200 -0.123 0.000 2.265 258 E HA -0.169 4.180 4.350 -0.002 0.000 0.196 258 E C 2.122 178.609 176.600 -0.189 0.000 0.996 258 E CA 1.294 57.635 56.400 -0.098 0.000 0.832 258 E CB -0.013 29.675 29.700 -0.021 0.000 0.756 258 E HN 0.658 nan 8.360 nan 0.000 0.491 259 S N 0.010 115.490 115.700 -0.366 0.000 2.336 259 S HA -0.168 4.301 4.470 -0.002 0.000 0.214 259 S C 1.707 176.193 174.600 -0.190 0.000 1.032 259 S CA 1.024 58.987 58.200 -0.395 0.000 1.001 259 S CB -0.619 62.206 63.200 -0.625 0.000 0.953 259 S HN 0.446 nan 8.310 nan 0.000 0.430 260 H N 2.311 121.260 119.070 -0.201 0.000 2.300 260 H HA -0.032 4.522 4.556 -0.002 0.000 0.302 260 H C 2.326 177.622 175.328 -0.053 0.000 1.049 260 H CA 1.616 57.614 56.048 -0.083 0.000 1.254 260 H CB -0.983 28.785 29.762 0.009 0.000 1.396 260 H HN 0.285 nan 8.280 nan 0.000 0.518 261 N N 0.684 119.518 118.700 0.224 0.000 2.182 261 N HA -0.245 4.494 4.740 -0.002 0.000 0.200 261 N C 1.120 176.664 175.510 0.055 0.000 0.989 261 N CA 2.253 55.392 53.050 0.148 0.000 0.907 261 N CB -0.045 38.495 38.487 0.087 0.000 1.048 261 N HN 0.491 nan 8.380 nan 0.000 0.494 262 N N -1.923 116.776 118.700 -0.001 0.000 2.919 262 N HA 0.054 4.793 4.740 -0.002 0.000 0.263 262 N C 1.549 177.026 175.510 -0.055 0.000 0.913 262 N CA 0.596 53.633 53.050 -0.022 0.000 1.085 262 N CB -0.808 37.675 38.487 -0.006 0.000 1.553 262 N HN 0.215 nan 8.380 nan 0.000 0.932 263 G N 0.594 109.357 108.800 -0.061 0.000 2.505 263 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.220 263 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.220 263 G C 1.218 176.064 174.900 -0.091 0.000 1.145 263 G CA 1.367 46.426 45.100 -0.069 0.000 0.761 263 G HN 0.312 nan 8.290 nan 0.000 0.571 264 Q N -2.473 117.248 119.800 -0.131 0.000 1.671 264 Q HA 0.067 4.406 4.340 -0.002 0.000 0.177 264 Q C 0.672 176.564 176.000 -0.180 0.000 0.680 264 Q CA 0.071 55.790 55.803 -0.140 0.000 0.748 264 Q CB 0.553 29.209 28.738 -0.137 0.000 1.198 264 Q HN 0.350 nan 8.270 nan 0.000 0.387 265 L N 2.538 123.613 121.223 -0.247 0.000 3.717 265 L HA -0.173 4.166 4.340 -0.002 0.000 0.411 265 L C -0.628 176.141 176.870 -0.169 0.000 1.233 265 L CA 0.777 55.410 54.840 -0.346 0.000 0.917 265 L CB -0.640 41.185 42.059 -0.391 0.000 1.902 265 L HN 0.171 nan 8.230 nan 0.000 0.894 266 E N 0.957 121.057 120.200 -0.166 0.000 2.729 266 E HA -0.127 4.222 4.350 -0.002 0.000 0.246 266 E C 0.567 177.100 176.600 -0.111 0.000 0.984 266 E CA 0.608 56.912 56.400 -0.159 0.000 0.951 266 E CB 0.263 29.811 29.700 -0.253 0.000 0.914 266 E HN 0.536 nan 8.360 nan 0.000 0.509 267 Q N 2.616 122.358 119.800 -0.098 0.000 2.204 267 Q HA 0.125 4.464 4.340 -0.002 0.000 0.209 267 Q C 0.954 176.903 176.000 -0.086 0.000 0.861 267 Q CA 0.052 55.797 55.803 -0.096 0.000 0.971 267 Q CB 0.324 29.004 28.738 -0.096 0.000 1.095 267 Q HN 0.568 nan 8.270 nan 0.000 0.486 268 I N -0.230 120.297 120.570 -0.073 0.000 3.976 268 I HA -0.025 4.144 4.170 -0.002 0.000 0.337 268 I C 1.513 177.622 176.117 -0.014 0.000 1.359 268 I CA 0.163 61.441 61.300 -0.037 0.000 1.098 268 I CB 0.698 38.691 38.000 -0.011 0.000 1.027 268 I HN -0.015 nan 8.210 nan 0.000 0.394 269 V N -2.553 117.332 119.914 -0.049 0.000 3.650 269 V HA 0.133 4.252 4.120 -0.002 0.000 0.271 269 V C 0.635 176.719 176.094 -0.017 0.000 1.281 269 V CA -0.184 62.103 62.300 -0.021 0.000 1.120 269 V CB -0.842 30.905 31.823 -0.127 0.000 0.856 269 V HN 0.309 nan 8.190 nan 0.000 0.443 270 D N 1.264 121.631 120.400 -0.056 0.000 2.332 270 D HA 0.394 5.033 4.640 -0.002 0.000 0.252 270 D C -2.227 174.041 176.300 -0.053 0.000 1.050 270 D CA -1.511 52.445 54.000 -0.074 0.000 0.970 270 D CB 1.684 42.384 40.800 -0.167 0.000 1.141 270 D HN 0.171 nan 8.370 nan 0.000 0.485 271 P HA 0.062 nan 4.420 nan 0.000 0.338 271 P C -0.228 177.054 177.300 -0.030 0.000 1.417 271 P CA -0.346 62.743 63.100 -0.019 0.000 0.868 271 P CB 0.175 31.880 31.700 0.008 0.000 2.131 272 N N -0.478 118.213 118.700 -0.014 0.000 3.178 272 N HA 0.114 4.853 4.740 -0.002 0.000 0.300 272 N C 0.783 176.276 175.510 -0.028 0.000 1.242 272 N CA -0.150 52.888 53.050 -0.019 0.000 1.192 272 N CB -0.982 37.504 38.487 -0.003 0.000 1.463 272 N HN 0.179 nan 8.380 nan 0.000 0.539 273 L N 1.361 122.548 121.223 -0.059 0.000 2.607 273 L HA 0.285 4.624 4.340 -0.002 0.000 0.228 273 L C 1.242 178.056 176.870 -0.094 0.000 1.123 273 L CA -0.128 54.661 54.840 -0.084 0.000 0.890 273 L CB -0.616 41.347 42.059 -0.161 0.000 1.103 273 L HN 0.510 nan 8.230 nan 0.000 0.468 274 A N 0.670 123.446 122.820 -0.073 0.000 5.798 274 A HA -0.305 4.014 4.320 -0.002 0.000 0.300 274 A C 0.168 177.698 177.584 -0.090 0.000 1.909 274 A CA 1.483 53.481 52.037 -0.066 0.000 0.724 274 A CB -0.992 17.982 19.000 -0.044 0.000 1.265 274 A HN 0.390 nan 8.150 nan 0.000 0.385 275 D N 0.874 121.230 120.400 -0.074 0.000 2.638 275 D HA 0.455 5.094 4.640 -0.002 0.000 0.245 275 D C 0.485 176.739 176.300 -0.077 0.000 1.176 275 D CA 0.044 53.994 54.000 -0.083 0.000 0.996 275 D CB 0.495 41.259 40.800 -0.060 0.000 1.012 275 D HN 0.501 nan 8.370 nan 0.000 0.515 276 K N 0.036 120.371 120.400 -0.108 0.000 2.438 276 K HA 0.288 4.607 4.320 -0.002 0.000 0.206 276 K C 0.597 177.126 176.600 -0.118 0.000 1.081 276 K CA -0.090 56.153 56.287 -0.073 0.000 1.053 276 K CB 1.548 34.027 32.500 -0.036 0.000 0.908 276 K HN 0.165 nan 8.250 nan 0.000 0.556 277 I N 2.359 122.767 120.570 -0.269 0.000 2.304 277 I HA 0.161 4.330 4.170 -0.002 0.000 0.291 277 I C 0.148 176.174 176.117 -0.151 0.000 1.018 277 I CA -0.750 60.323 61.300 -0.380 0.000 1.260 277 I CB 0.978 38.536 38.000 -0.736 0.000 1.390 277 I HN 0.014 nan 8.210 nan 0.000 0.475 278 R N 9.163 129.650 120.500 -0.021 0.000 2.446 278 R HA 0.063 4.402 4.340 -0.002 0.000 0.314 278 R C -1.322 174.968 176.300 -0.017 0.000 1.003 278 R CA -1.023 55.078 56.100 0.002 0.000 1.018 278 R CB 0.687 31.016 30.300 0.048 0.000 0.945 278 R HN 0.366 nan 8.270 nan 0.000 0.419 279 P HA -0.239 nan 4.420 nan 0.000 0.219 279 P C 0.365 177.657 177.300 -0.013 0.000 1.145 279 P CA 1.482 64.559 63.100 -0.038 0.000 0.813 279 P CB 0.301 31.981 31.700 -0.033 0.000 0.771 280 E N -0.104 120.096 120.200 -0.000 0.000 2.075 280 E HA -0.081 4.267 4.350 -0.002 0.000 0.190 280 E C 2.286 178.893 176.600 0.011 0.000 0.969 280 E CA 1.022 57.420 56.400 -0.003 0.000 0.815 280 E CB -0.187 29.504 29.700 -0.016 0.000 0.776 280 E HN 0.194 nan 8.360 nan 0.000 0.457 281 S N 0.413 116.147 115.700 0.056 0.000 2.419 281 S HA -0.179 4.289 4.470 -0.002 0.000 0.235 281 S C 1.945 176.688 174.600 0.237 0.000 1.019 281 S CA 0.903 59.189 58.200 0.143 0.000 0.982 281 S CB -0.207 63.159 63.200 0.276 0.000 0.789 281 S HN 0.247 nan 8.310 nan 0.000 0.490 282 L N 1.650 122.956 121.223 0.138 0.000 2.034 282 L HA 0.257 4.595 4.340 -0.002 0.000 0.203 282 L C 2.770 179.741 176.870 0.168 0.000 1.074 282 L CA 1.629 56.535 54.840 0.109 0.000 0.748 282 L CB -0.801 41.222 42.059 -0.060 0.000 0.905 282 L HN 0.204 nan 8.230 nan 0.000 0.439 283 R N -0.707 119.868 120.500 0.125 0.000 2.170 283 R HA -0.241 4.097 4.340 -0.002 0.000 0.242 283 R C 2.193 178.582 176.300 0.147 0.000 1.145 283 R CA 1.595 57.810 56.100 0.192 0.000 0.984 283 R CB -0.036 30.325 30.300 0.102 0.000 0.869 283 R HN 0.222 nan 8.270 nan 0.000 0.455 284 K N 0.000 120.444 120.400 0.074 0.000 1.975 284 K HA -0.119 4.200 4.320 -0.002 0.000 0.210 284 K C 1.644 178.268 176.600 0.040 0.000 1.041 284 K CA 1.566 57.857 56.287 0.008 0.000 0.942 284 K CB -0.793 31.653 32.500 -0.089 0.000 0.729 284 K HN 0.059 nan 8.250 nan 0.000 0.439 285 F N 0.513 120.466 119.950 0.005 0.000 2.106 285 F HA -0.287 4.239 4.527 -0.002 0.000 0.299 285 F C 1.756 177.484 175.800 -0.120 0.000 1.082 285 F CA 2.272 60.281 58.000 0.014 0.000 1.244 285 F CB -0.538 38.598 39.000 0.227 0.000 0.997 285 F HN 0.215 nan 8.300 nan 0.000 0.486 286 G N -1.222 107.652 108.800 0.124 0.000 2.408 286 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.213 286 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.213 286 G C 1.155 175.810 174.900 -0.408 0.000 1.177 286 G CA 0.760 45.768 45.100 -0.154 0.000 0.802 286 G HN 0.385 nan 8.290 nan 0.000 0.533 287 D N 0.131 120.332 120.400 -0.332 0.000 2.172 287 D HA -0.122 4.517 4.640 -0.002 0.000 0.196 287 D C 2.641 178.855 176.300 -0.144 0.000 0.999 287 D CA 1.773 55.659 54.000 -0.190 0.000 0.856 287 D CB 0.017 40.813 40.800 -0.006 0.000 0.934 287 D HN 0.307 nan 8.370 nan 0.000 0.453 288 T N -0.349 114.103 114.554 -0.170 0.000 2.564 288 T HA -0.167 4.182 4.350 -0.002 0.000 0.259 288 T C 2.058 176.629 174.700 -0.214 0.000 1.087 288 T CA 1.740 63.734 62.100 -0.176 0.000 1.184 288 T CB -0.940 67.773 68.868 -0.259 0.000 0.864 288 T HN 0.224 nan 8.240 nan 0.000 0.403 289 A N 1.052 123.644 122.820 -0.380 0.000 1.958 289 A HA -0.137 4.181 4.320 -0.002 0.000 0.221 289 A C 2.598 180.083 177.584 -0.165 0.000 1.178 289 A CA 1.933 53.695 52.037 -0.459 0.000 0.642 289 A CB -1.305 17.030 19.000 -1.107 0.000 0.816 289 A HN 0.385 nan 8.150 nan 0.000 0.453 290 V N -0.447 119.426 119.914 -0.067 0.000 2.427 290 V HA -0.229 3.890 4.120 -0.002 0.000 0.248 290 V C 2.323 178.442 176.094 0.043 0.000 1.051 290 V CA 2.241 64.579 62.300 0.063 0.000 1.048 290 V CB -0.639 31.205 31.823 0.035 0.000 0.666 290 V HN 0.550 nan 8.190 nan 0.000 0.456 291 K N -0.236 120.166 120.400 0.004 0.000 2.211 291 K HA -0.120 4.199 4.320 -0.002 0.000 0.203 291 K C 2.113 178.739 176.600 0.043 0.000 1.050 291 K CA 1.609 57.912 56.287 0.026 0.000 0.945 291 K CB -0.379 32.127 32.500 0.011 0.000 0.732 291 K HN 0.551 nan 8.250 nan 0.000 0.451 292 C N 0.575 119.889 119.300 0.023 0.000 2.450 292 C HA 0.045 4.504 4.460 -0.002 0.000 0.279 292 C C 2.144 177.199 174.990 0.109 0.000 1.335 292 C CA 0.165 59.217 59.018 0.055 0.000 1.749 292 C CB -0.822 26.935 27.740 0.029 0.000 1.963 292 C HN 0.356 nan 8.230 nan 0.000 0.501 293 L N 1.255 122.521 121.223 0.072 0.000 2.492 293 L HA 0.172 4.511 4.340 -0.002 0.000 0.223 293 L C 1.648 178.682 176.870 0.273 0.000 1.132 293 L CA -0.116 54.793 54.840 0.115 0.000 0.850 293 L CB -0.775 41.296 42.059 0.019 0.000 0.966 293 L HN 0.198 nan 8.230 nan 0.000 0.454 294 A N 0.502 123.429 122.820 0.179 0.000 2.609 294 A HA -0.044 4.274 4.320 -0.002 0.000 0.232 294 A C 1.410 179.094 177.584 0.167 0.000 1.041 294 A CA 0.115 52.239 52.037 0.146 0.000 0.753 294 A CB 0.150 19.210 19.000 0.100 0.000 0.966 294 A HN 0.274 nan 8.150 nan 0.000 0.510 295 L N 2.174 123.472 121.223 0.125 0.000 1.934 295 L HA -0.181 4.158 4.340 -0.002 0.000 0.227 295 L C 1.979 178.893 176.870 0.074 0.000 1.084 295 L CA 2.116 57.015 54.840 0.098 0.000 0.790 295 L CB -0.736 41.366 42.059 0.071 0.000 0.896 295 L HN 0.970 nan 8.230 nan 0.000 0.437 296 S N -0.706 115.029 115.700 0.058 0.000 2.548 296 S HA 0.067 4.535 4.470 -0.002 0.000 0.277 296 S C 1.214 175.844 174.600 0.051 0.000 1.315 296 S CA -0.162 58.065 58.200 0.044 0.000 1.050 296 S CB 1.458 64.677 63.200 0.031 0.000 0.918 296 S HN 0.404 nan 8.310 nan 0.000 0.497 297 S N 2.056 117.783 115.700 0.045 0.000 2.407 297 S HA -0.274 4.195 4.470 -0.002 0.000 0.235 297 S C 1.503 176.121 174.600 0.030 0.000 1.036 297 S CA 1.502 59.730 58.200 0.047 0.000 1.013 297 S CB -0.919 62.300 63.200 0.031 0.000 0.820 297 S HN 0.831 nan 8.310 nan 0.000 0.476 298 E N 2.098 122.307 120.200 0.015 0.000 2.132 298 E HA -0.206 4.143 4.350 -0.002 0.000 0.218 298 E C 0.949 177.556 176.600 0.012 0.000 1.058 298 E CA 2.048 58.451 56.400 0.004 0.000 0.882 298 E CB -0.495 29.206 29.700 0.002 0.000 0.774 298 E HN 0.672 nan 8.360 nan 0.000 0.467 299 D N 0.277 120.693 120.400 0.026 0.000 2.400 299 D HA 0.010 4.649 4.640 -0.002 0.000 0.243 299 D C -0.217 176.106 176.300 0.039 0.000 1.184 299 D CA 0.196 54.214 54.000 0.030 0.000 0.853 299 D CB -0.023 40.798 40.800 0.036 0.000 0.944 299 D HN 0.120 nan 8.370 nan 0.000 0.501 300 R N 1.762 122.285 120.500 0.038 0.000 2.393 300 R HA 0.305 4.643 4.340 -0.002 0.000 0.310 300 R C -2.399 173.912 176.300 0.019 0.000 0.968 300 R CA -1.706 54.421 56.100 0.045 0.000 0.867 300 R CB 1.468 31.811 30.300 0.072 0.000 1.124 300 R HN -0.054 nan 8.270 nan 0.000 0.450 301 P HA -0.063 nan 4.420 nan 0.000 0.268 301 P C -0.222 177.066 177.300 -0.021 0.000 1.208 301 P CA -0.075 63.024 63.100 -0.003 0.000 0.777 301 P CB 0.747 32.449 31.700 0.003 0.000 0.875 302 S N 2.201 117.879 115.700 -0.036 0.000 2.603 302 S HA 0.135 4.604 4.470 -0.002 0.000 0.268 302 S C 1.568 176.132 174.600 -0.060 0.000 1.317 302 S CA -0.598 57.566 58.200 -0.059 0.000 1.012 302 S CB 0.180 63.353 63.200 -0.045 0.000 0.926 302 S HN 0.237 nan 8.310 nan 0.000 0.539 303 M N 1.989 121.559 119.600 -0.050 0.000 2.260 303 M HA -0.046 4.433 4.480 -0.002 0.000 0.261 303 M C 2.189 178.404 176.300 -0.142 0.000 1.066 303 M CA 1.630 56.900 55.300 -0.050 0.000 1.082 303 M CB -2.300 30.380 32.600 0.134 0.000 1.388 303 M HN 1.003 nan 8.290 nan 0.000 0.419 304 G N 0.656 109.321 108.800 -0.226 0.000 2.511 304 G HA2 -0.244 3.714 3.960 -0.002 0.000 0.216 304 G HA3 -0.244 3.714 3.960 -0.002 0.000 0.216 304 G C 1.204 176.045 174.900 -0.099 0.000 1.218 304 G CA 1.058 45.960 45.100 -0.330 0.000 0.788 304 G HN 0.389 nan 8.290 nan 0.000 0.560 305 D N 0.301 120.675 120.400 -0.044 0.000 2.127 305 D HA -0.160 4.479 4.640 -0.002 0.000 0.190 305 D C 2.826 179.187 176.300 0.102 0.000 1.000 305 D CA 1.793 55.819 54.000 0.044 0.000 0.839 305 D CB -0.706 40.104 40.800 0.017 0.000 0.955 305 D HN 0.186 nan 8.370 nan 0.000 0.446 306 V N 1.605 121.530 119.914 0.018 0.000 2.250 306 V HA -0.268 3.851 4.120 -0.002 0.000 0.250 306 V C 2.611 178.701 176.094 -0.007 0.000 1.060 306 V CA 1.562 63.857 62.300 -0.007 0.000 1.030 306 V CB -0.748 31.043 31.823 -0.053 0.000 0.643 306 V HN 0.131 nan 8.190 nan 0.000 0.445 307 L N -0.684 120.517 121.223 -0.035 0.000 2.081 307 L HA -0.217 4.122 4.340 -0.002 0.000 0.212 307 L C 2.008 178.895 176.870 0.029 0.000 1.080 307 L CA 2.208 57.031 54.840 -0.029 0.000 0.754 307 L CB -0.806 41.219 42.059 -0.057 0.000 0.893 307 L HN 0.559 nan 8.230 nan 0.000 0.433 308 W N 0.231 121.492 121.300 -0.065 0.000 2.453 308 W HA -0.091 4.568 4.660 -0.002 0.000 0.289 308 W C 2.455 178.991 176.519 0.028 0.000 1.215 308 W CA 1.462 58.790 57.345 -0.029 0.000 1.297 308 W CB 0.064 29.499 29.460 -0.042 0.000 1.113 308 W HN 0.007 nan 8.180 nan 0.000 0.551 309 K N 0.002 120.490 120.400 0.146 0.000 2.057 309 K HA -0.122 4.196 4.320 -0.002 0.000 0.206 309 K C 1.960 178.510 176.600 -0.083 0.000 1.050 309 K CA 1.750 58.075 56.287 0.064 0.000 0.935 309 K CB -0.634 31.934 32.500 0.113 0.000 0.715 309 K HN 0.185 nan 8.250 nan 0.000 0.439 310 L N 0.866 122.028 121.223 -0.102 0.000 2.083 310 L HA -0.181 4.158 4.340 -0.002 0.000 0.209 310 L C 2.208 179.003 176.870 -0.125 0.000 1.083 310 L CA 1.287 56.053 54.840 -0.123 0.000 0.752 310 L CB -0.368 41.626 42.059 -0.108 0.000 0.899 310 L HN 0.243 nan 8.230 nan 0.000 0.433 311 E N -0.818 119.276 120.200 -0.177 0.000 2.106 311 E HA -0.230 4.119 4.350 -0.002 0.000 0.192 311 E C 2.075 178.539 176.600 -0.227 0.000 0.984 311 E CA 0.897 57.169 56.400 -0.212 0.000 0.806 311 E CB -0.077 29.462 29.700 -0.269 0.000 0.750 311 E HN 0.356 nan 8.360 nan 0.000 0.458 312 Y N 1.287 121.264 120.300 -0.538 0.000 2.097 312 Y HA -0.224 4.325 4.550 -0.002 0.000 0.282 312 Y C 2.180 177.940 175.900 -0.232 0.000 1.152 312 Y CA 1.310 59.112 58.100 -0.496 0.000 1.136 312 Y CB -0.889 37.203 38.460 -0.614 0.000 0.975 312 Y HN -0.004 nan 8.280 nan 0.000 0.498 313 A N 0.055 122.863 122.820 -0.021 0.000 1.908 313 A HA -0.199 4.119 4.320 -0.002 0.000 0.218 313 A C 2.220 179.810 177.584 0.011 0.000 1.181 313 A CA 1.779 53.806 52.037 -0.016 0.000 0.627 313 A CB -1.242 17.784 19.000 0.043 0.000 0.818 313 A HN 0.483 nan 8.150 nan 0.000 0.445 314 L N -0.331 120.862 121.223 -0.051 0.000 2.131 314 L HA -0.068 4.271 4.340 -0.002 0.000 0.210 314 L C 2.216 179.068 176.870 -0.030 0.000 1.092 314 L CA 2.010 56.796 54.840 -0.089 0.000 0.759 314 L CB -0.914 41.067 42.059 -0.130 0.000 0.903 314 L HN 0.427 nan 8.230 nan 0.000 0.435 315 R N -0.883 119.616 120.500 -0.002 0.000 2.062 315 R HA -0.073 4.266 4.340 -0.002 0.000 0.231 315 R C 2.366 178.708 176.300 0.071 0.000 1.136 315 R CA 1.617 57.735 56.100 0.030 0.000 0.948 315 R CB -0.408 29.912 30.300 0.033 0.000 0.845 315 R HN 0.378 nan 8.270 nan 0.000 0.430 316 L N 0.703 121.989 121.223 0.104 0.000 2.211 316 L HA -0.299 4.040 4.340 -0.002 0.000 0.216 316 L C 2.698 179.607 176.870 0.064 0.000 1.092 316 L CA 1.441 56.324 54.840 0.073 0.000 0.767 316 L CB -0.306 41.736 42.059 -0.027 0.000 0.894 316 L HN 0.390 nan 8.230 nan 0.000 0.437 317 Q N -0.739 119.104 119.800 0.072 0.000 2.165 317 Q HA -0.164 4.174 4.340 -0.002 0.000 0.197 317 Q C 2.077 178.112 176.000 0.058 0.000 0.952 317 Q CA 0.903 56.759 55.803 0.089 0.000 0.848 317 Q CB 0.213 29.037 28.738 0.143 0.000 0.931 317 Q HN 0.511 nan 8.270 nan 0.000 0.470 318 E N 0.927 121.149 120.200 0.036 0.000 2.085 318 E HA -0.124 4.225 4.350 -0.002 0.000 0.194 318 E C 0.635 177.250 176.600 0.025 0.000 0.994 318 E CA 0.788 57.201 56.400 0.020 0.000 0.801 318 E CB 0.021 29.723 29.700 0.003 0.000 0.743 318 E HN 0.286 nan 8.360 nan 0.000 0.453 319 S N 0.000 115.719 115.700 0.032 0.000 2.498 319 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 319 S CA 0.000 58.219 58.200 0.033 0.000 1.107 319 S CB 0.000 63.227 63.200 0.045 0.000 0.593 319 S HN 0.000 nan 8.310 nan 0.000 0.517