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 3c4z_1_A DATA FIRST_RESID 31 DATA SEQUENCE RDRKYLARLK LPPLSKCEAL RESLDLGFEG MCLEQPIGKR LFQQFLRTHE DATA SEQUENCE QHGPALQLWK DIEDYDTADD ALRPQKAQAL RAAYLEPQAQ LFCSFLDAET DATA SEQUENCE VARARAGXXX GLFQPLLRAV LAHLGQAPFQ EFLDSLYFLR FLQWKWLEAQ DATA SEQUENCE PMGEDWFLDF RVLGRGGFGE VFACQMKATG KLYACKKLNK KRLKKRKGYQ DATA SEQUENCE GAMVEKKILA KVHSRFIVSL AYAFETKTDL CLVMTIMNGG DIRYHIYNVD DATA SEQUENCE EDNPGFQEPR AIFYTAQIVS GLEHLHQRNI IYRDLKPENV LLDDDGNVRI DATA SEQUENCE SDLGLAVELK AGQTKTKGYA GTPGFMAPEL LLGEEYDFSV DYFALGVTLY DATA SEQUENCE EMIAARGPFR ARGEKVENKE LKQRVLEQAV TYPDKFSPAS KDFCEALLQK DATA SEQUENCE DPEKRLGFRD GSCDGLRTHP LFRDISWRQL EAGMLTPPFV PDSRTVYAKN DATA SEQUENCE XXXXGAFSXX XGVAFEKADT EFFQEFASGT CPIPWQEEMI ETGVFGDLNV DATA SEQUENCE WRP 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 31 R HA 0.000 nan 4.340 nan 0.000 0.208 31 R C 0.000 176.312 176.300 0.020 0.000 0.893 31 R CA 0.000 56.118 56.100 0.030 0.000 0.921 31 R CB 0.000 30.322 30.300 0.037 0.000 0.687 32 D N 2.808 123.221 120.400 0.023 0.000 2.401 32 D HA -0.008 4.627 4.640 -0.008 0.000 0.254 32 D C 1.404 177.711 176.300 0.011 0.000 1.192 32 D CA 0.084 54.098 54.000 0.024 0.000 0.885 32 D CB 0.960 41.796 40.800 0.060 0.000 1.147 32 D HN 0.500 nan 8.370 nan 0.000 0.478 33 R N 4.079 124.566 120.500 -0.021 0.000 2.115 33 R HA -0.138 4.197 4.340 -0.008 0.000 0.230 33 R C 1.882 178.118 176.300 -0.107 0.000 1.111 33 R CA 1.065 57.139 56.100 -0.044 0.000 0.976 33 R CB -0.239 30.036 30.300 -0.041 0.000 0.870 33 R HN 0.378 nan 8.270 nan 0.000 0.445 34 K N 0.586 120.880 120.400 -0.177 0.000 2.020 34 K HA -0.230 4.085 4.320 -0.008 0.000 0.212 34 K C 1.471 177.747 176.600 -0.539 0.000 1.050 34 K CA 1.954 58.017 56.287 -0.372 0.000 0.929 34 K CB -0.276 31.917 32.500 -0.511 0.000 0.714 34 K HN 0.330 nan 8.250 nan 0.000 0.443 35 Y N 0.129 120.226 120.300 -0.339 0.000 2.314 35 Y HA -0.084 4.462 4.550 -0.008 0.000 0.294 35 Y C 2.071 177.799 175.900 -0.287 0.000 1.119 35 Y CA 0.475 58.222 58.100 -0.587 0.000 1.179 35 Y CB -0.191 37.741 38.460 -0.881 0.000 1.025 35 Y HN 0.084 nan 8.280 nan 0.000 0.541 36 L N 0.584 121.808 121.223 0.001 0.000 2.129 36 L HA -0.202 4.133 4.340 -0.008 0.000 0.212 36 L C 2.244 179.152 176.870 0.065 0.000 1.087 36 L CA 1.956 56.842 54.840 0.077 0.000 0.757 36 L CB -0.959 41.135 42.059 0.058 0.000 0.896 36 L HN 0.164 nan 8.230 nan 0.000 0.434 37 A N -0.852 121.959 122.820 -0.014 0.000 2.067 37 A HA -0.131 4.184 4.320 -0.008 0.000 0.219 37 A C 2.291 179.891 177.584 0.027 0.000 1.158 37 A CA 1.146 53.176 52.037 -0.012 0.000 0.661 37 A CB -0.487 18.474 19.000 -0.065 0.000 0.801 37 A HN 0.526 nan 8.150 nan 0.000 0.452 38 R N -0.664 119.865 120.500 0.049 0.000 2.276 38 R HA 0.170 4.505 4.340 -0.008 0.000 0.203 38 R C -0.295 176.183 176.300 0.297 0.000 1.017 38 R CA 0.106 56.307 56.100 0.169 0.000 1.010 38 R CB -0.219 30.215 30.300 0.222 0.000 0.900 38 R HN 0.384 nan 8.270 nan 0.000 0.469 39 L N 2.620 124.021 121.223 0.296 0.000 2.375 39 L HA 0.192 4.528 4.340 -0.008 0.000 0.276 39 L C -0.278 176.691 176.870 0.165 0.000 1.162 39 L CA 0.100 55.122 54.840 0.304 0.000 0.991 39 L CB 0.095 42.367 42.059 0.354 0.000 1.315 39 L HN -0.156 nan 8.230 nan 0.000 0.431 40 K N 3.737 124.218 120.400 0.135 0.000 2.501 40 K HA 0.526 4.841 4.320 -0.008 0.000 0.252 40 K C -0.685 175.906 176.600 -0.015 0.000 0.934 40 K CA -0.709 55.596 56.287 0.031 0.000 0.797 40 K CB 2.945 35.463 32.500 0.030 0.000 1.270 40 K HN 0.313 nan 8.250 nan 0.000 0.431 41 L N 4.324 125.454 121.223 -0.155 0.000 2.416 41 L HA 0.252 4.588 4.340 -0.008 0.000 0.272 41 L C -1.505 175.206 176.870 -0.265 0.000 1.161 41 L CA -1.401 53.293 54.840 -0.244 0.000 0.845 41 L CB 0.227 42.088 42.059 -0.331 0.000 1.119 41 L HN 0.344 nan 8.230 nan 0.000 0.464 42 P HA 0.325 nan 4.420 nan 0.000 0.278 42 P C -2.683 174.355 177.300 -0.437 0.000 1.266 42 P CA -1.691 61.018 63.100 -0.652 0.000 0.807 42 P CB -0.006 30.845 31.700 -1.416 0.000 1.094 43 P HA 0.119 nan 4.420 nan 0.000 0.269 43 P C 1.160 178.291 177.300 -0.281 0.000 1.215 43 P CA -0.039 62.900 63.100 -0.268 0.000 0.780 43 P CB 0.746 32.316 31.700 -0.217 0.000 0.898 44 L N 1.323 122.433 121.223 -0.189 0.000 2.141 44 L HA -0.182 4.153 4.340 -0.008 0.000 0.209 44 L C 2.643 179.424 176.870 -0.148 0.000 1.094 44 L CA 1.956 56.700 54.840 -0.159 0.000 0.763 44 L CB -0.939 41.061 42.059 -0.099 0.000 0.908 44 L HN 0.466 nan 8.230 nan 0.000 0.437 45 S N -0.149 115.471 115.700 -0.133 0.000 2.400 45 S HA -0.231 4.234 4.470 -0.008 0.000 0.232 45 S C 1.854 176.385 174.600 -0.115 0.000 1.025 45 S CA 1.043 59.182 58.200 -0.102 0.000 0.993 45 S CB -0.352 62.798 63.200 -0.085 0.000 0.808 45 S HN 0.417 nan 8.310 nan 0.000 0.478 46 K N 0.092 120.367 120.400 -0.208 0.000 2.362 46 K HA 0.087 4.402 4.320 -0.008 0.000 0.200 46 K C 1.270 177.792 176.600 -0.130 0.000 1.046 46 K CA 0.991 57.141 56.287 -0.228 0.000 0.952 46 K CB -0.341 31.825 32.500 -0.557 0.000 0.753 46 K HN 0.495 nan 8.250 nan 0.000 0.466 47 C N 1.116 120.334 119.300 -0.137 0.000 2.791 47 C HA 0.156 4.611 4.460 -0.008 0.000 0.270 47 C C 1.895 176.886 174.990 0.002 0.000 1.257 47 C CA -0.367 58.632 59.018 -0.032 0.000 1.699 47 C CB -0.429 27.256 27.740 -0.091 0.000 1.904 47 C HN 0.359 nan 8.230 nan 0.000 0.603 48 E N 1.863 122.062 120.200 -0.001 0.000 2.106 48 E HA -0.078 4.267 4.350 -0.008 0.000 0.192 48 E C 2.354 178.976 176.600 0.037 0.000 0.984 48 E CA 1.352 57.760 56.400 0.015 0.000 0.806 48 E CB -0.291 29.412 29.700 0.005 0.000 0.750 48 E HN 0.654 nan 8.360 nan 0.000 0.458 49 A N 1.049 123.897 122.820 0.045 0.000 1.902 49 A HA -0.162 4.153 4.320 -0.008 0.000 0.217 49 A C 2.166 179.783 177.584 0.054 0.000 1.181 49 A CA 1.040 53.107 52.037 0.049 0.000 0.623 49 A CB -0.478 18.553 19.000 0.052 0.000 0.818 49 A HN 0.157 nan 8.150 nan 0.000 0.443 50 L N -0.367 120.894 121.223 0.064 0.000 2.046 50 L HA -0.104 4.231 4.340 -0.008 0.000 0.208 50 L C 2.471 179.389 176.870 0.080 0.000 1.077 50 L CA 2.027 56.904 54.840 0.060 0.000 0.747 50 L CB -1.088 41.005 42.059 0.057 0.000 0.896 50 L HN 0.476 nan 8.230 nan 0.000 0.432 51 R N -0.600 119.948 120.500 0.080 0.000 2.117 51 R HA -0.207 4.128 4.340 -0.008 0.000 0.243 51 R C 2.272 178.650 176.300 0.130 0.000 1.143 51 R CA 1.696 57.873 56.100 0.128 0.000 0.968 51 R CB -0.090 30.276 30.300 0.110 0.000 0.863 51 R HN 0.433 nan 8.270 nan 0.000 0.444 52 E N -0.698 119.555 120.200 0.088 0.000 2.170 52 E HA -0.087 4.258 4.350 -0.008 0.000 0.191 52 E C 1.497 178.138 176.600 0.069 0.000 0.981 52 E CA 1.231 57.674 56.400 0.073 0.000 0.830 52 E CB 0.223 29.954 29.700 0.052 0.000 0.775 52 E HN 0.449 nan 8.360 nan 0.000 0.470 53 S N -0.207 115.533 115.700 0.066 0.000 2.470 53 S HA 0.133 4.598 4.470 -0.008 0.000 0.222 53 S C 1.212 175.851 174.600 0.065 0.000 1.024 53 S CA -0.309 57.923 58.200 0.053 0.000 0.931 53 S CB -0.165 63.056 63.200 0.035 0.000 0.791 53 S HN 0.053 nan 8.310 nan 0.000 0.513 54 L N 2.592 123.871 121.223 0.093 0.000 2.467 54 L HA 0.250 4.586 4.340 -0.008 0.000 0.270 54 L C -0.355 176.594 176.870 0.131 0.000 1.205 54 L CA -0.360 54.550 54.840 0.117 0.000 0.828 54 L CB 0.230 42.392 42.059 0.171 0.000 1.101 54 L HN 0.195 nan 8.230 nan 0.000 0.479 55 D N 3.558 124.032 120.400 0.123 0.000 2.339 55 D HA 0.216 4.851 4.640 -0.008 0.000 0.256 55 D C 0.143 176.547 176.300 0.174 0.000 1.214 55 D CA 0.276 54.347 54.000 0.119 0.000 0.877 55 D CB 1.076 41.924 40.800 0.080 0.000 1.111 55 D HN 0.300 nan 8.370 nan 0.000 0.478 56 L N 2.180 123.517 121.223 0.191 0.000 3.141 56 L HA 0.305 4.640 4.340 -0.008 0.000 0.263 56 L C 1.162 178.177 176.870 0.242 0.000 1.312 56 L CA -0.573 54.424 54.840 0.262 0.000 1.012 56 L CB 0.828 43.083 42.059 0.327 0.000 1.408 56 L HN 0.239 nan 8.230 nan 0.000 0.559 57 G N -1.049 107.825 108.800 0.123 0.000 2.539 57 G HA2 0.107 4.062 3.960 -0.008 0.000 0.258 57 G HA3 0.107 4.062 3.960 -0.008 0.000 0.258 57 G C 0.342 175.141 174.900 -0.167 0.000 1.202 57 G CA -0.346 44.772 45.100 0.029 0.000 0.851 57 G HN 0.176 nan 8.290 nan 0.000 0.556 58 F N 0.336 119.848 119.950 -0.729 0.000 2.069 58 F HA -0.136 4.386 4.527 -0.008 0.000 0.298 58 F C 2.415 177.838 175.800 -0.628 0.000 1.113 58 F CA 2.466 59.740 58.000 -1.210 0.000 1.214 58 F CB -0.110 38.006 39.000 -1.473 0.000 0.978 58 F HN 0.663 nan 8.300 nan 0.000 0.474 59 E N -0.397 119.465 120.200 -0.563 0.000 2.051 59 E HA -0.136 4.210 4.350 -0.008 0.000 0.192 59 E C 2.483 178.846 176.600 -0.395 0.000 0.991 59 E CA 1.181 57.267 56.400 -0.523 0.000 0.799 59 E CB -0.797 28.756 29.700 -0.245 0.000 0.748 59 E HN 0.520 nan 8.360 nan 0.000 0.449 60 G N 1.021 109.669 108.800 -0.254 0.000 2.422 60 G HA2 -0.279 3.676 3.960 -0.008 0.000 0.218 60 G HA3 -0.279 3.676 3.960 -0.008 0.000 0.218 60 G C 1.495 176.299 174.900 -0.159 0.000 1.146 60 G CA 0.998 46.006 45.100 -0.152 0.000 0.769 60 G HN 0.323 nan 8.290 nan 0.000 0.547 61 M N -0.583 118.880 119.600 -0.228 0.000 2.398 61 M HA 0.092 4.567 4.480 -0.008 0.000 0.261 61 M C 2.089 178.146 176.300 -0.405 0.000 1.125 61 M CA 1.141 56.283 55.300 -0.263 0.000 1.183 61 M CB 0.187 32.657 32.600 -0.217 0.000 1.322 61 M HN 0.153 nan 8.290 nan 0.000 0.467 62 C N 0.282 119.228 119.300 -0.590 0.000 2.634 62 C HA 0.257 4.712 4.460 -0.008 0.000 0.268 62 C C 2.279 176.996 174.990 -0.454 0.000 1.322 62 C CA 0.001 58.631 59.018 -0.648 0.000 1.737 62 C CB -0.805 26.229 27.740 -1.177 0.000 1.976 62 C HN 0.593 nan 8.230 nan 0.000 0.547 63 L N -0.063 120.852 121.223 -0.513 0.000 2.433 63 L HA 0.148 4.483 4.340 -0.008 0.000 0.200 63 L C 2.350 179.126 176.870 -0.157 0.000 1.059 63 L CA 0.904 55.583 54.840 -0.267 0.000 0.835 63 L CB -0.542 41.295 42.059 -0.369 0.000 1.076 63 L HN 0.191 nan 8.230 nan 0.000 0.481 64 E N 0.090 120.176 120.200 -0.190 0.000 2.170 64 E HA -0.027 4.319 4.350 -0.008 0.000 0.191 64 E C 0.353 176.876 176.600 -0.129 0.000 0.981 64 E CA 0.327 56.641 56.400 -0.143 0.000 0.830 64 E CB 0.301 29.914 29.700 -0.146 0.000 0.775 64 E HN 0.422 nan 8.360 nan 0.000 0.470 65 Q N 0.971 120.712 119.800 -0.099 0.000 2.331 65 Q HA 0.106 4.441 4.340 -0.008 0.000 0.257 65 Q C -2.033 173.940 176.000 -0.045 0.000 0.957 65 Q CA -1.897 53.889 55.803 -0.028 0.000 0.923 65 Q CB 1.435 30.239 28.738 0.110 0.000 1.212 65 Q HN -0.037 nan 8.270 nan 0.000 0.443 66 P HA -0.206 nan 4.420 nan 0.000 0.216 66 P C 0.830 177.999 177.300 -0.219 0.000 1.153 66 P CA 1.378 64.386 63.100 -0.153 0.000 0.858 66 P CB 0.257 31.848 31.700 -0.182 0.000 0.789 67 I N -1.288 119.160 120.570 -0.204 0.000 2.439 67 I HA -0.106 4.059 4.170 -0.008 0.000 0.251 67 I C 2.433 178.588 176.117 0.065 0.000 1.139 67 I CA 1.403 62.525 61.300 -0.296 0.000 1.438 67 I CB -1.002 36.804 38.000 -0.322 0.000 1.085 67 I HN 0.007 nan 8.210 nan 0.000 0.427 68 G N 0.848 109.762 108.800 0.190 0.000 2.421 68 G HA2 -0.288 3.668 3.960 -0.008 0.000 0.216 68 G HA3 -0.288 3.668 3.960 -0.008 0.000 0.216 68 G C 1.707 176.583 174.900 -0.040 0.000 1.171 68 G CA 0.736 45.827 45.100 -0.015 0.000 0.775 68 G HN 0.284 nan 8.290 nan 0.000 0.543 69 K N 0.075 120.442 120.400 -0.055 0.000 2.057 69 K HA -0.092 4.223 4.320 -0.008 0.000 0.207 69 K C 2.586 179.187 176.600 0.002 0.000 1.049 69 K CA 1.184 57.468 56.287 -0.005 0.000 0.931 69 K CB -0.106 32.365 32.500 -0.048 0.000 0.714 69 K HN 0.148 nan 8.250 nan 0.000 0.440 70 R N 0.927 121.391 120.500 -0.060 0.000 2.073 70 R HA -0.048 4.288 4.340 -0.008 0.000 0.234 70 R C 2.141 178.522 176.300 0.134 0.000 1.134 70 R CA 1.441 57.518 56.100 -0.039 0.000 0.952 70 R CB -0.491 29.690 30.300 -0.199 0.000 0.850 70 R HN 0.242 nan 8.270 nan 0.000 0.433 71 L N -0.725 120.655 121.223 0.261 0.000 2.093 71 L HA -0.097 4.238 4.340 -0.008 0.000 0.208 71 L C 2.140 179.258 176.870 0.414 0.000 1.085 71 L CA 0.978 56.106 54.840 0.480 0.000 0.755 71 L CB -0.489 41.984 42.059 0.691 0.000 0.904 71 L HN 0.190 nan 8.230 nan 0.000 0.435 72 F N 0.942 120.872 119.950 -0.033 0.000 2.134 72 F HA -0.228 4.294 4.527 -0.008 0.000 0.299 72 F C 2.563 178.368 175.800 0.008 0.000 1.097 72 F CA 1.594 59.407 58.000 -0.313 0.000 1.264 72 F CB -0.322 38.347 39.000 -0.551 0.000 1.001 72 F HN 0.063 nan 8.300 nan 0.000 0.479 73 Q N -0.332 119.417 119.800 -0.086 0.000 2.119 73 Q HA -0.224 4.112 4.340 -0.008 0.000 0.201 73 Q C 2.224 178.124 176.000 -0.165 0.000 0.972 73 Q CA 1.668 57.351 55.803 -0.200 0.000 0.847 73 Q CB -0.310 28.298 28.738 -0.218 0.000 0.903 73 Q HN 0.580 nan 8.270 nan 0.000 0.433 74 Q N -0.179 119.574 119.800 -0.079 0.000 2.084 74 Q HA -0.188 4.148 4.340 -0.008 0.000 0.202 74 Q C 1.861 177.621 176.000 -0.400 0.000 0.978 74 Q CA 1.371 57.104 55.803 -0.117 0.000 0.844 74 Q CB -0.202 28.589 28.738 0.089 0.000 0.898 74 Q HN 0.328 nan 8.270 nan 0.000 0.426 75 F N 1.282 120.822 119.950 -0.684 0.000 2.069 75 F HA -0.223 4.299 4.527 -0.008 0.000 0.298 75 F C 1.717 177.381 175.800 -0.227 0.000 1.113 75 F CA 1.421 59.030 58.000 -0.651 0.000 1.214 75 F CB -0.310 38.579 39.000 -0.185 0.000 0.978 75 F HN -0.043 nan 8.300 nan 0.000 0.474 76 L N 0.045 120.957 121.223 -0.518 0.000 2.083 76 L HA -0.206 4.129 4.340 -0.008 0.000 0.209 76 L C 2.718 179.435 176.870 -0.255 0.000 1.083 76 L CA 1.670 56.224 54.840 -0.477 0.000 0.752 76 L CB -0.760 41.060 42.059 -0.399 0.000 0.899 76 L HN 0.137 nan 8.230 nan 0.000 0.433 77 R N 0.067 120.444 120.500 -0.205 0.000 2.115 77 R HA -0.132 4.203 4.340 -0.008 0.000 0.230 77 R C 2.132 178.369 176.300 -0.104 0.000 1.111 77 R CA 1.739 57.769 56.100 -0.117 0.000 0.976 77 R CB -0.083 30.163 30.300 -0.090 0.000 0.870 77 R HN 0.481 nan 8.270 nan 0.000 0.445 78 T N -3.001 111.477 114.554 -0.127 0.000 3.100 78 T HA 0.041 4.386 4.350 -0.008 0.000 0.253 78 T C -0.143 174.388 174.700 -0.281 0.000 1.118 78 T CA 0.161 62.181 62.100 -0.134 0.000 1.058 78 T CB -0.046 68.785 68.868 -0.061 0.000 0.953 78 T HN 0.173 nan 8.240 nan 0.000 0.515 79 H N 1.134 120.040 119.070 -0.274 0.000 2.725 79 H HA 0.432 4.983 4.556 -0.008 0.000 0.283 79 H C 1.039 176.246 175.328 -0.202 0.000 1.110 79 H CA -0.758 55.140 56.048 -0.251 0.000 1.289 79 H CB 1.143 30.680 29.762 -0.375 0.000 1.400 79 H HN 0.230 nan 8.280 nan 0.000 0.493 80 E N 2.703 122.846 120.200 -0.095 0.000 2.164 80 E HA -0.417 3.928 4.350 -0.008 0.000 0.206 80 E C 1.878 178.427 176.600 -0.085 0.000 1.032 80 E CA 1.835 58.191 56.400 -0.073 0.000 0.832 80 E CB 0.218 29.880 29.700 -0.064 0.000 0.742 80 E HN 0.765 nan 8.360 nan 0.000 0.460 81 Q N -0.683 119.013 119.800 -0.173 0.000 2.152 81 Q HA -0.216 4.119 4.340 -0.008 0.000 0.206 81 Q C 1.255 177.121 176.000 -0.224 0.000 0.985 81 Q CA 1.713 57.364 55.803 -0.254 0.000 0.863 81 Q CB -0.061 28.407 28.738 -0.450 0.000 0.904 81 Q HN 0.513 nan 8.270 nan 0.000 0.422 82 H N -1.622 117.440 119.070 -0.013 0.000 2.529 82 H HA 0.180 4.731 4.556 -0.008 0.000 0.277 82 H C 1.605 176.919 175.328 -0.024 0.000 1.004 82 H CA 0.574 56.599 56.048 -0.038 0.000 1.167 82 H CB 0.218 29.897 29.762 -0.138 0.000 1.445 82 H HN 0.419 nan 8.280 nan 0.000 0.554 83 G N 2.514 111.360 108.800 0.076 0.000 2.459 83 G HA2 -0.207 3.748 3.960 -0.008 0.000 0.217 83 G HA3 -0.207 3.748 3.960 -0.008 0.000 0.217 83 G C -0.597 174.370 174.900 0.112 0.000 1.183 83 G CA 0.289 45.429 45.100 0.066 0.000 0.776 83 G HN 0.333 nan 8.290 nan 0.000 0.552 84 P HA -0.112 nan 4.420 nan 0.000 0.215 84 P C 2.257 179.647 177.300 0.150 0.000 1.157 84 P CA 2.252 65.477 63.100 0.209 0.000 0.874 84 P CB -0.209 31.631 31.700 0.233 0.000 0.790 85 A N -0.856 122.082 122.820 0.196 0.000 1.902 85 A HA -0.185 4.131 4.320 -0.008 0.000 0.217 85 A C 2.158 179.816 177.584 0.123 0.000 1.181 85 A CA 1.612 53.747 52.037 0.163 0.000 0.623 85 A CB -1.677 17.318 19.000 -0.009 0.000 0.818 85 A HN 0.175 nan 8.150 nan 0.000 0.443 86 L N -0.630 120.660 121.223 0.112 0.000 2.046 86 L HA -0.165 4.170 4.340 -0.008 0.000 0.208 86 L C 2.315 179.232 176.870 0.078 0.000 1.077 86 L CA 2.187 57.105 54.840 0.130 0.000 0.747 86 L CB -0.648 41.426 42.059 0.025 0.000 0.896 86 L HN 0.341 nan 8.230 nan 0.000 0.432 87 Q N -0.665 119.162 119.800 0.045 0.000 2.119 87 Q HA -0.133 4.202 4.340 -0.008 0.000 0.201 87 Q C 2.252 178.196 176.000 -0.093 0.000 0.972 87 Q CA 1.504 57.333 55.803 0.043 0.000 0.847 87 Q CB -0.728 28.116 28.738 0.176 0.000 0.903 87 Q HN 0.487 nan 8.270 nan 0.000 0.433 88 L N 0.023 121.006 121.223 -0.400 0.000 2.017 88 L HA -0.135 4.200 4.340 -0.008 0.000 0.208 88 L C 1.993 178.766 176.870 -0.161 0.000 1.073 88 L CA 1.715 56.134 54.840 -0.702 0.000 0.745 88 L CB -0.861 40.714 42.059 -0.807 0.000 0.894 88 L HN 0.289 nan 8.230 nan 0.000 0.432 89 W N 1.193 122.381 121.300 -0.188 0.000 2.317 89 W HA -0.272 4.383 4.660 -0.009 0.000 0.318 89 W C 2.492 178.973 176.519 -0.063 0.000 1.227 89 W CA 2.408 59.701 57.345 -0.087 0.000 1.269 89 W CB -0.627 28.807 29.460 -0.043 0.000 1.155 89 W HN 0.151 nan 8.180 nan 0.000 0.484 90 K N -0.484 119.889 120.400 -0.045 0.000 2.097 90 K HA -0.185 4.130 4.320 -0.008 0.000 0.206 90 K C 1.644 178.221 176.600 -0.038 0.000 1.049 90 K CA 1.833 58.026 56.287 -0.158 0.000 0.933 90 K CB -0.448 31.959 32.500 -0.155 0.000 0.717 90 K HN -0.009 nan 8.250 nan 0.000 0.442 91 D N 0.667 121.068 120.400 0.001 0.000 2.178 91 D HA -0.070 4.565 4.640 -0.008 0.000 0.202 91 D C 1.787 178.116 176.300 0.049 0.000 0.974 91 D CA 0.866 54.890 54.000 0.041 0.000 0.841 91 D CB -0.034 40.820 40.800 0.091 0.000 0.953 91 D HN 0.158 nan 8.370 nan 0.000 0.478 92 I N 1.030 121.613 120.570 0.022 0.000 2.202 92 I HA -0.201 3.965 4.170 -0.008 0.000 0.242 92 I C 2.215 178.452 176.117 0.200 0.000 1.091 92 I CA 1.023 62.377 61.300 0.090 0.000 1.368 92 I CB -0.173 37.878 38.000 0.085 0.000 1.058 92 I HN -0.031 nan 8.210 nan 0.000 0.410 93 E N 0.749 121.036 120.200 0.145 0.000 2.110 93 E HA -0.232 4.113 4.350 -0.008 0.000 0.193 93 E C 1.643 178.295 176.600 0.087 0.000 0.988 93 E CA 1.338 57.804 56.400 0.109 0.000 0.804 93 E CB -0.143 29.567 29.700 0.016 0.000 0.745 93 E HN 0.484 nan 8.360 nan 0.000 0.458 94 D N 0.145 120.590 120.400 0.076 0.000 2.117 94 D HA -0.162 4.473 4.640 -0.008 0.000 0.198 94 D C 1.692 178.062 176.300 0.115 0.000 0.982 94 D CA 0.808 54.850 54.000 0.070 0.000 0.828 94 D CB -0.457 40.378 40.800 0.058 0.000 0.967 94 D HN 0.199 nan 8.370 nan 0.000 0.464 95 Y N 1.954 122.298 120.300 0.072 0.000 2.128 95 Y HA -0.237 4.309 4.550 -0.007 0.000 0.284 95 Y C 1.575 177.546 175.900 0.118 0.000 1.154 95 Y CA 1.775 59.946 58.100 0.119 0.000 1.149 95 Y CB -0.118 38.460 38.460 0.197 0.000 0.976 95 Y HN -0.135 nan 8.280 nan 0.000 0.505 96 D N -0.874 119.630 120.400 0.172 0.000 2.218 96 D HA -0.121 4.515 4.640 -0.008 0.000 0.204 96 D C 1.700 177.998 176.300 -0.003 0.000 0.976 96 D CA 1.857 55.912 54.000 0.091 0.000 0.853 96 D CB -0.403 40.496 40.800 0.165 0.000 0.939 96 D HN 0.551 nan 8.370 nan 0.000 0.481 97 T N -2.630 111.920 114.554 -0.007 0.000 3.174 97 T HA 0.598 4.944 4.350 -0.008 0.000 0.269 97 T C 0.510 175.186 174.700 -0.041 0.000 1.017 97 T CA -0.513 61.577 62.100 -0.018 0.000 0.899 97 T CB 0.347 69.214 68.868 -0.001 0.000 1.077 97 T HN 0.045 nan 8.240 nan 0.000 0.552 98 A N 1.069 123.839 122.820 -0.084 0.000 2.332 98 A HA 0.425 4.740 4.320 -0.008 0.000 0.258 98 A C 0.339 177.875 177.584 -0.080 0.000 1.087 98 A CA -0.589 51.401 52.037 -0.078 0.000 0.802 98 A CB 0.135 19.078 19.000 -0.096 0.000 1.042 98 A HN 0.498 nan 8.150 nan 0.000 0.489 99 D N -0.079 120.292 120.400 -0.049 0.000 2.399 99 D HA -0.023 4.612 4.640 -0.008 0.000 0.241 99 D C 0.045 176.315 176.300 -0.051 0.000 1.133 99 D CA -0.172 53.804 54.000 -0.040 0.000 0.890 99 D CB 0.694 41.481 40.800 -0.023 0.000 1.201 99 D HN 0.450 nan 8.370 nan 0.000 0.432 100 D N 2.797 123.171 120.400 -0.043 0.000 2.172 100 D HA -0.187 4.449 4.640 -0.008 0.000 0.196 100 D C 1.713 178.004 176.300 -0.015 0.000 0.999 100 D CA 1.354 55.333 54.000 -0.035 0.000 0.856 100 D CB -0.189 40.599 40.800 -0.019 0.000 0.934 100 D HN 0.536 nan 8.370 nan 0.000 0.453 101 A N -0.089 122.726 122.820 -0.008 0.000 2.019 101 A HA -0.113 4.202 4.320 -0.008 0.000 0.219 101 A C 2.032 179.625 177.584 0.015 0.000 1.164 101 A CA 0.858 52.897 52.037 0.004 0.000 0.644 101 A CB -0.273 18.728 19.000 0.001 0.000 0.805 101 A HN 0.248 nan 8.150 nan 0.000 0.449 102 L N -1.115 120.114 121.223 0.011 0.000 2.616 102 L HA 0.207 4.542 4.340 -0.008 0.000 0.229 102 L C 2.101 179.007 176.870 0.060 0.000 1.110 102 L CA 0.458 55.317 54.840 0.031 0.000 0.884 102 L CB -0.238 41.834 42.059 0.022 0.000 1.115 102 L HN 0.231 nan 8.230 nan 0.000 0.481 103 R N 0.248 120.769 120.500 0.035 0.000 2.075 103 R HA -0.057 4.279 4.340 -0.008 0.000 0.232 103 R C -0.469 175.992 176.300 0.269 0.000 1.126 103 R CA 1.435 57.588 56.100 0.088 0.000 0.963 103 R CB -1.853 28.382 30.300 -0.107 0.000 0.858 103 R HN 0.352 nan 8.270 nan 0.000 0.435 104 P HA -0.201 nan 4.420 nan 0.000 0.216 104 P C 1.454 178.845 177.300 0.153 0.000 1.153 104 P CA 1.185 64.379 63.100 0.158 0.000 0.858 104 P CB -0.154 31.603 31.700 0.094 0.000 0.789 105 Q N 0.748 120.623 119.800 0.124 0.000 2.030 105 Q HA -0.222 4.113 4.340 -0.008 0.000 0.204 105 Q C 1.933 178.015 176.000 0.138 0.000 0.986 105 Q CA 1.977 57.843 55.803 0.105 0.000 0.843 105 Q CB -0.501 28.283 28.738 0.077 0.000 0.904 105 Q HN 0.218 nan 8.270 nan 0.000 0.420 106 K N -0.091 120.426 120.400 0.194 0.000 2.103 106 K HA -0.119 4.197 4.320 -0.008 0.000 0.207 106 K C 2.114 178.864 176.600 0.249 0.000 1.048 106 K CA 1.125 57.556 56.287 0.240 0.000 0.930 106 K CB -0.161 32.550 32.500 0.351 0.000 0.716 106 K HN 0.278 nan 8.250 nan 0.000 0.444 107 A N 1.296 124.311 122.820 0.326 0.000 1.898 107 A HA -0.230 4.085 4.320 -0.008 0.000 0.216 107 A C 2.129 179.833 177.584 0.201 0.000 1.181 107 A CA 1.394 53.609 52.037 0.297 0.000 0.620 107 A CB -0.479 18.689 19.000 0.279 0.000 0.819 107 A HN 0.346 nan 8.150 nan 0.000 0.442 108 Q N -0.580 119.306 119.800 0.144 0.000 2.084 108 Q HA -0.117 4.219 4.340 -0.008 0.000 0.202 108 Q C 2.184 178.216 176.000 0.053 0.000 0.978 108 Q CA 1.498 57.355 55.803 0.090 0.000 0.844 108 Q CB -0.320 28.461 28.738 0.071 0.000 0.898 108 Q HN 0.602 nan 8.270 nan 0.000 0.426 109 A N 0.930 123.780 122.820 0.049 0.000 1.902 109 A HA -0.166 4.150 4.320 -0.008 0.000 0.217 109 A C 2.020 179.580 177.584 -0.040 0.000 1.181 109 A CA 1.156 53.195 52.037 0.004 0.000 0.623 109 A CB -0.742 18.270 19.000 0.019 0.000 0.818 109 A HN 0.531 nan 8.150 nan 0.000 0.443 110 L N -0.764 120.453 121.223 -0.009 0.000 2.017 110 L HA -0.188 4.148 4.340 -0.008 0.000 0.208 110 L C 2.748 179.613 176.870 -0.009 0.000 1.073 110 L CA 1.637 56.468 54.840 -0.013 0.000 0.745 110 L CB -0.264 41.665 42.059 -0.217 0.000 0.894 110 L HN 0.335 nan 8.230 nan 0.000 0.432 111 R N -0.360 120.148 120.500 0.013 0.000 2.096 111 R HA -0.137 4.198 4.340 -0.008 0.000 0.235 111 R C 2.295 178.603 176.300 0.013 0.000 1.127 111 R CA 1.334 57.463 56.100 0.049 0.000 0.968 111 R CB -0.548 29.809 30.300 0.095 0.000 0.861 111 R HN 0.504 nan 8.270 nan 0.000 0.440 112 A N 0.864 123.670 122.820 -0.024 0.000 1.969 112 A HA -0.021 4.294 4.320 -0.008 0.000 0.218 112 A C 2.266 179.780 177.584 -0.117 0.000 1.169 112 A CA 1.513 53.522 52.037 -0.046 0.000 0.635 112 A CB -0.441 18.535 19.000 -0.042 0.000 0.810 112 A HN 0.386 nan 8.150 nan 0.000 0.445 113 A N -2.014 120.645 122.820 -0.268 0.000 1.970 113 A HA 0.164 4.479 4.320 -0.008 0.000 0.216 113 A C 1.755 178.989 177.584 -0.583 0.000 1.170 113 A CA 1.328 53.029 52.037 -0.560 0.000 0.645 113 A CB -0.361 18.034 19.000 -1.010 0.000 0.816 113 A HN 0.632 nan 8.150 nan 0.000 0.447 114 Y N -2.167 118.119 120.300 -0.024 0.000 2.425 114 Y HA 0.380 4.925 4.550 -0.008 0.000 0.261 114 Y C 1.499 177.321 175.900 -0.130 0.000 1.084 114 Y CA -0.175 57.872 58.100 -0.088 0.000 1.248 114 Y CB 0.598 38.963 38.460 -0.158 0.000 1.270 114 Y HN 0.076 nan 8.280 nan 0.000 0.524 115 L N -0.769 120.527 121.223 0.122 0.000 2.766 115 L HA 0.250 4.586 4.340 -0.008 0.000 0.241 115 L C 0.130 177.178 176.870 0.296 0.000 1.080 115 L CA 0.162 55.079 54.840 0.127 0.000 0.909 115 L CB 0.388 42.490 42.059 0.072 0.000 1.277 115 L HN -0.023 nan 8.230 nan 0.000 0.510 116 E N 1.900 122.227 120.200 0.213 0.000 2.366 116 E HA 0.175 4.521 4.350 -0.008 0.000 0.266 116 E C -2.282 174.364 176.600 0.076 0.000 1.051 116 E CA -2.071 54.406 56.400 0.128 0.000 0.884 116 E CB 0.457 30.189 29.700 0.053 0.000 1.006 116 E HN -0.109 nan 8.360 nan 0.000 0.417 117 P HA -0.106 nan 4.420 nan 0.000 0.261 117 P C -0.806 176.349 177.300 -0.243 0.000 1.183 117 P CA 0.581 63.517 63.100 -0.273 0.000 0.761 117 P CB 0.399 31.997 31.700 -0.171 0.000 0.785 118 Q N -0.851 118.720 119.800 -0.383 0.000 2.503 118 Q HA -0.212 4.123 4.340 -0.008 0.000 0.267 118 Q C 0.143 176.093 176.000 -0.084 0.000 1.030 118 Q CA 1.202 56.879 55.803 -0.210 0.000 1.041 118 Q CB -2.679 25.973 28.738 -0.144 0.000 1.406 118 Q HN 0.664 nan 8.270 nan 0.000 0.524 119 A N 0.449 123.260 122.820 -0.015 0.000 2.498 119 A HA 0.168 4.484 4.320 -0.008 0.000 0.239 119 A C 1.404 179.027 177.584 0.065 0.000 1.068 119 A CA 0.499 52.567 52.037 0.051 0.000 0.766 119 A CB 0.309 19.385 19.000 0.126 0.000 1.003 119 A HN 0.344 nan 8.150 nan 0.000 0.497 120 Q N 0.692 120.500 119.800 0.014 0.000 2.170 120 Q HA -0.068 4.267 4.340 -0.008 0.000 0.203 120 Q C 0.386 176.421 176.000 0.057 0.000 0.976 120 Q CA 1.242 57.058 55.803 0.021 0.000 0.858 120 Q CB -0.185 28.548 28.738 -0.008 0.000 0.907 120 Q HN 0.744 nan 8.270 nan 0.000 0.433 121 L N 0.315 121.571 121.223 0.055 0.000 3.062 121 L HA 0.254 4.589 4.340 -0.008 0.000 0.255 121 L C -0.294 176.706 176.870 0.218 0.000 1.274 121 L CA -0.851 54.072 54.840 0.139 0.000 1.047 121 L CB 0.157 42.309 42.059 0.155 0.000 1.402 121 L HN 0.085 nan 8.230 nan 0.000 0.550 122 F N 0.927 120.901 119.950 0.039 0.000 2.623 122 F HA -0.106 4.417 4.527 -0.008 0.000 0.383 122 F C 0.693 176.492 175.800 -0.001 0.000 1.077 122 F CA -0.017 57.993 58.000 0.016 0.000 1.268 122 F CB 0.387 39.375 39.000 -0.020 0.000 1.053 122 F HN 0.089 nan 8.300 nan 0.000 0.571 123 C N 6.876 125.724 119.300 -0.754 0.000 2.145 123 C HA 0.140 4.595 4.460 -0.008 0.000 0.374 123 C C 1.705 176.102 174.990 -0.989 0.000 1.035 123 C CA -0.301 58.254 59.018 -0.771 0.000 1.431 123 C CB -1.330 25.836 27.740 -0.957 0.000 1.789 123 C HN 1.001 nan 8.230 nan 0.000 0.483 124 S N 2.011 117.483 115.700 -0.379 0.000 2.419 124 S HA -0.188 4.277 4.470 -0.008 0.000 0.235 124 S C 1.361 175.853 174.600 -0.180 0.000 1.019 124 S CA 1.544 59.682 58.200 -0.104 0.000 0.982 124 S CB -0.267 63.005 63.200 0.119 0.000 0.789 124 S HN 0.929 nan 8.310 nan 0.000 0.490 125 F N 1.094 120.910 119.950 -0.223 0.000 2.502 125 F HA 0.316 4.838 4.527 -0.008 0.000 0.298 125 F C 0.501 176.163 175.800 -0.230 0.000 1.111 125 F CA -0.324 57.509 58.000 -0.278 0.000 1.445 125 F CB -0.831 37.754 39.000 -0.692 0.000 1.081 125 F HN -0.032 nan 8.300 nan 0.000 0.558 126 L N 2.827 123.622 121.223 -0.714 0.000 2.426 126 L HA 0.114 4.449 4.340 -0.008 0.000 0.271 126 L C 0.363 177.115 176.870 -0.197 0.000 1.169 126 L CA -0.666 53.916 54.840 -0.430 0.000 0.836 126 L CB 0.192 41.900 42.059 -0.585 0.000 1.112 126 L HN 0.234 nan 8.230 nan 0.000 0.465 127 D N 2.116 122.460 120.400 -0.094 0.000 2.339 127 D HA 0.113 4.748 4.640 -0.008 0.000 0.245 127 D C 0.738 177.014 176.300 -0.040 0.000 1.115 127 D CA -0.162 53.812 54.000 -0.042 0.000 0.917 127 D CB 1.617 42.409 40.800 -0.013 0.000 1.192 127 D HN 0.553 nan 8.370 nan 0.000 0.428 128 A N 2.210 125.025 122.820 -0.009 0.000 1.908 128 A HA -0.245 4.070 4.320 -0.008 0.000 0.218 128 A C 1.989 179.575 177.584 0.004 0.000 1.181 128 A CA 1.632 53.674 52.037 0.009 0.000 0.627 128 A CB -0.740 18.273 19.000 0.022 0.000 0.818 128 A HN 0.776 nan 8.150 nan 0.000 0.445 129 E N -0.830 119.370 120.200 0.000 0.000 2.070 129 E HA -0.168 4.178 4.350 -0.008 0.000 0.197 129 E C 2.100 178.698 176.600 -0.003 0.000 1.004 129 E CA 1.800 58.200 56.400 0.001 0.000 0.805 129 E CB -0.423 29.277 29.700 0.001 0.000 0.744 129 E HN 0.614 nan 8.360 nan 0.000 0.451 130 T N 0.868 115.414 114.554 -0.014 0.000 2.777 130 T HA -0.115 4.230 4.350 -0.008 0.000 0.266 130 T C 2.140 176.827 174.700 -0.022 0.000 1.040 130 T CA 1.062 63.152 62.100 -0.018 0.000 1.141 130 T CB -0.211 68.637 68.868 -0.033 0.000 0.868 130 T HN -0.031 nan 8.240 nan 0.000 0.444 131 V N 1.833 121.721 119.914 -0.043 0.000 2.287 131 V HA -0.192 3.924 4.120 -0.008 0.000 0.248 131 V C 2.913 179.018 176.094 0.020 0.000 1.053 131 V CA 1.761 64.043 62.300 -0.031 0.000 1.027 131 V CB -1.269 30.536 31.823 -0.028 0.000 0.646 131 V HN 0.534 nan 8.190 nan 0.000 0.447 132 A N 0.409 123.242 122.820 0.021 0.000 1.877 132 A HA -0.277 4.038 4.320 -0.008 0.000 0.216 132 A C 2.343 179.940 177.584 0.022 0.000 1.186 132 A CA 2.233 54.285 52.037 0.026 0.000 0.620 132 A CB -0.575 18.437 19.000 0.019 0.000 0.822 132 A HN 0.510 nan 8.150 nan 0.000 0.443 133 R N -0.033 120.477 120.500 0.015 0.000 2.091 133 R HA -0.078 4.257 4.340 -0.008 0.000 0.238 133 R C 2.104 178.415 176.300 0.018 0.000 1.136 133 R CA 1.861 57.967 56.100 0.010 0.000 0.959 133 R CB -0.572 29.733 30.300 0.007 0.000 0.856 133 R HN 0.395 nan 8.270 nan 0.000 0.437 134 A N 0.449 123.301 122.820 0.053 0.000 1.969 134 A HA -0.088 4.228 4.320 -0.008 0.000 0.218 134 A C 2.053 179.720 177.584 0.139 0.000 1.169 134 A CA 1.350 53.467 52.037 0.133 0.000 0.635 134 A CB -0.331 18.771 19.000 0.170 0.000 0.810 134 A HN 0.386 nan 8.150 nan 0.000 0.445 135 R N -0.522 120.030 120.500 0.087 0.000 2.200 135 R HA 0.227 4.562 4.340 -0.008 0.000 0.208 135 R C 0.795 177.115 176.300 0.035 0.000 1.033 135 R CA 0.495 56.642 56.100 0.077 0.000 1.000 135 R CB -0.180 30.159 30.300 0.065 0.000 0.906 135 R HN 0.428 nan 8.270 nan 0.000 0.462 136 A N 1.212 124.038 122.820 0.010 0.000 2.331 136 A HA 0.555 4.870 4.320 -0.008 0.000 0.283 136 A C 0.532 178.090 177.584 -0.042 0.000 1.142 136 A CA 0.250 52.282 52.037 -0.009 0.000 0.812 136 A CB 0.310 19.306 19.000 -0.007 0.000 1.074 136 A HN 0.368 nan 8.150 nan 0.000 0.497 142 L N 0.924 122.122 121.223 -0.042 0.000 2.525 142 L HA 0.531 4.866 4.340 -0.008 0.000 0.278 142 L C 1.201 177.886 176.870 -0.309 0.000 1.218 142 L CA 1.118 55.765 54.840 -0.322 0.000 0.878 142 L CB -0.612 41.124 42.059 -0.538 0.000 1.127 142 L HN 0.539 nan 8.230 nan 0.000 0.492 143 F N 0.679 120.604 119.950 -0.042 0.000 2.748 143 F HA -0.354 4.170 4.527 -0.007 0.000 0.370 143 F C 1.605 177.411 175.800 0.010 0.000 0.620 143 F CA 0.827 58.799 58.000 -0.048 0.000 1.233 143 F CB -1.192 37.736 39.000 -0.119 0.000 1.708 143 F HN 0.590 nan 8.300 nan 0.000 0.298 144 Q N 0.035 119.927 119.800 0.153 0.000 2.079 144 Q HA -0.059 4.276 4.340 -0.008 0.000 0.200 144 Q C -0.404 175.646 176.000 0.084 0.000 0.974 144 Q CA 1.857 57.731 55.803 0.119 0.000 0.840 144 Q CB -1.246 27.545 28.738 0.088 0.000 0.898 144 Q HN 0.329 nan 8.270 nan 0.000 0.430 145 P HA -0.137 nan 4.420 nan 0.000 0.216 145 P C 1.544 178.876 177.300 0.053 0.000 1.150 145 P CA 0.783 63.910 63.100 0.046 0.000 0.837 145 P CB -0.089 31.630 31.700 0.031 0.000 0.786 146 L N -0.912 120.363 121.223 0.086 0.000 2.056 146 L HA -0.110 4.226 4.340 -0.008 0.000 0.207 146 L C 2.157 179.055 176.870 0.046 0.000 1.078 146 L CA 1.634 56.513 54.840 0.066 0.000 0.749 146 L CB -1.536 40.589 42.059 0.111 0.000 0.901 146 L HN -0.140 nan 8.230 nan 0.000 0.433 147 L N -0.235 121.032 121.223 0.074 0.000 2.012 147 L HA -0.206 4.129 4.340 -0.008 0.000 0.210 147 L C 2.691 179.565 176.870 0.007 0.000 1.073 147 L CA 1.752 56.623 54.840 0.051 0.000 0.748 147 L CB -0.698 41.421 42.059 0.100 0.000 0.891 147 L HN 0.249 nan 8.230 nan 0.000 0.431 148 R N -0.698 119.814 120.500 0.020 0.000 2.103 148 R HA -0.183 4.153 4.340 -0.008 0.000 0.242 148 R C 2.168 178.465 176.300 -0.004 0.000 1.142 148 R CA 1.436 57.537 56.100 0.002 0.000 0.960 148 R CB -0.651 29.655 30.300 0.011 0.000 0.858 148 R HN 0.562 nan 8.270 nan 0.000 0.439 149 A N 0.418 123.248 122.820 0.016 0.000 1.897 149 A HA -0.071 4.244 4.320 -0.008 0.000 0.215 149 A C 2.342 179.980 177.584 0.090 0.000 1.181 149 A CA 1.068 53.130 52.037 0.041 0.000 0.620 149 A CB -0.346 18.674 19.000 0.032 0.000 0.821 149 A HN 0.109 nan 8.150 nan 0.000 0.443 150 V N 0.244 120.205 119.914 0.079 0.000 2.343 150 V HA -0.242 3.873 4.120 -0.008 0.000 0.247 150 V C 2.531 178.574 176.094 -0.086 0.000 1.051 150 V CA 1.925 64.286 62.300 0.101 0.000 1.036 150 V CB -0.718 31.127 31.823 0.038 0.000 0.654 150 V HN 0.562 nan 8.190 nan 0.000 0.451 151 L N -0.122 121.002 121.223 -0.165 0.000 2.156 151 L HA -0.079 4.256 4.340 -0.008 0.000 0.208 151 L C 2.695 179.456 176.870 -0.182 0.000 1.095 151 L CA 1.263 55.970 54.840 -0.222 0.000 0.770 151 L CB -0.756 41.193 42.059 -0.184 0.000 0.914 151 L HN 0.356 nan 8.230 nan 0.000 0.439 152 A N -0.264 122.485 122.820 -0.118 0.000 1.898 152 A HA -0.288 4.028 4.320 -0.008 0.000 0.216 152 A C 2.124 179.599 177.584 -0.182 0.000 1.181 152 A CA 1.895 53.851 52.037 -0.135 0.000 0.620 152 A CB -0.763 18.207 19.000 -0.050 0.000 0.819 152 A HN 0.523 nan 8.150 nan 0.000 0.442 153 H N 0.027 118.972 119.070 -0.209 0.000 2.321 153 H HA -0.018 4.534 4.556 -0.008 0.000 0.300 153 H C 1.670 176.768 175.328 -0.384 0.000 1.087 153 H CA 2.041 57.929 56.048 -0.267 0.000 1.319 153 H CB -0.364 29.181 29.762 -0.361 0.000 1.379 153 H HN 0.337 nan 8.280 nan 0.000 0.501 154 L N -0.428 120.450 121.223 -0.576 0.000 2.201 154 L HA -0.035 4.300 4.340 -0.008 0.000 0.212 154 L C 2.590 178.929 176.870 -0.885 0.000 1.105 154 L CA 0.977 55.459 54.840 -0.596 0.000 0.775 154 L CB -0.475 41.436 42.059 -0.246 0.000 0.913 154 L HN 0.514 nan 8.230 nan 0.000 0.440 155 G N -1.480 106.508 108.800 -1.352 0.000 2.776 155 G HA2 -0.077 3.879 3.960 -0.008 0.000 0.209 155 G HA3 -0.077 3.879 3.960 -0.008 0.000 0.209 155 G C 1.273 175.727 174.900 -0.744 0.000 1.145 155 G CA 0.083 44.079 45.100 -1.839 0.000 0.791 155 G HN 0.217 nan 8.290 nan 0.000 0.530 156 Q N 0.070 119.575 119.800 -0.490 0.000 3.035 156 Q HA 0.417 4.753 4.340 -0.008 0.000 0.252 156 Q C 2.732 178.625 176.000 -0.179 0.000 1.158 156 Q CA 0.443 56.096 55.803 -0.250 0.000 0.345 156 Q CB -0.951 27.670 28.738 -0.196 0.000 5.642 156 Q HN 0.118 nan 8.270 nan 0.000 0.331 157 A N 1.908 124.622 122.820 -0.176 0.000 1.883 157 A HA -0.131 4.184 4.320 -0.008 0.000 0.217 157 A C -0.563 176.975 177.584 -0.078 0.000 1.186 157 A CA 1.987 53.969 52.037 -0.091 0.000 0.624 157 A CB -1.795 17.188 19.000 -0.028 0.000 0.822 157 A HN 0.350 nan 8.150 nan 0.000 0.444 158 P HA -0.138 nan 4.420 nan 0.000 0.217 158 P C 1.444 178.826 177.300 0.137 0.000 1.150 158 P CA 0.970 63.969 63.100 -0.167 0.000 0.832 158 P CB -0.150 31.243 31.700 -0.510 0.000 0.787 159 F N 0.952 120.829 119.950 -0.121 0.000 2.134 159 F HA -0.187 4.336 4.527 -0.007 0.000 0.299 159 F C 2.092 177.836 175.800 -0.093 0.000 1.097 159 F CA 1.605 59.522 58.000 -0.139 0.000 1.264 159 F CB -0.903 37.845 39.000 -0.420 0.000 1.001 159 F HN -0.185 nan 8.300 nan 0.000 0.479 160 Q N 0.736 120.385 119.800 -0.252 0.000 2.135 160 Q HA -0.219 4.117 4.340 -0.008 0.000 0.204 160 Q C 2.139 177.971 176.000 -0.279 0.000 0.981 160 Q CA 2.069 57.673 55.803 -0.332 0.000 0.856 160 Q CB -0.619 28.020 28.738 -0.165 0.000 0.902 160 Q HN 0.616 nan 8.270 nan 0.000 0.425 161 E N -0.285 119.833 120.200 -0.137 0.000 2.106 161 E HA -0.132 4.213 4.350 -0.008 0.000 0.192 161 E C 1.706 178.054 176.600 -0.420 0.000 0.984 161 E CA 0.562 56.909 56.400 -0.088 0.000 0.806 161 E CB -0.236 29.595 29.700 0.219 0.000 0.750 161 E HN 0.243 nan 8.360 nan 0.000 0.458 162 F N 1.633 121.073 119.950 -0.851 0.000 2.126 162 F HA -0.181 4.341 4.527 -0.007 0.000 0.299 162 F C 1.796 177.237 175.800 -0.599 0.000 1.096 162 F CA 1.303 58.624 58.000 -1.132 0.000 1.255 162 F CB -0.163 38.535 39.000 -0.502 0.000 0.997 162 F HN -0.086 nan 8.300 nan 0.000 0.479 163 L N -0.196 120.569 121.223 -0.764 0.000 2.265 163 L HA -0.175 4.160 4.340 -0.008 0.000 0.215 163 L C 1.050 177.568 176.870 -0.587 0.000 1.117 163 L CA 1.352 55.591 54.840 -1.002 0.000 0.782 163 L CB -0.621 40.827 42.059 -1.019 0.000 0.914 163 L HN 0.117 nan 8.230 nan 0.000 0.441 164 D N -0.323 119.842 120.400 -0.392 0.000 2.525 164 D HA 0.066 4.702 4.640 -0.008 0.000 0.229 164 D C 0.360 176.597 176.300 -0.105 0.000 1.202 164 D CA 0.026 53.913 54.000 -0.187 0.000 0.828 164 D CB 0.299 41.022 40.800 -0.129 0.000 1.008 164 D HN 0.188 nan 8.370 nan 0.000 0.493 165 S N -1.638 113.966 115.700 -0.160 0.000 2.677 165 S HA 0.381 4.846 4.470 -0.008 0.000 0.304 165 S C 1.268 175.876 174.600 0.014 0.000 1.108 165 S CA -0.766 57.429 58.200 -0.010 0.000 0.944 165 S CB 1.198 64.405 63.200 0.012 0.000 1.127 165 S HN 0.026 nan 8.310 nan 0.000 0.511 166 L N 0.055 121.298 121.223 0.032 0.000 2.191 166 L HA -0.069 4.267 4.340 -0.008 0.000 0.212 166 L C 1.865 178.673 176.870 -0.104 0.000 1.103 166 L CA 1.311 56.099 54.840 -0.088 0.000 0.769 166 L CB -0.687 41.227 42.059 -0.242 0.000 0.908 166 L HN 0.752 nan 8.230 nan 0.000 0.438 167 Y N -1.431 118.915 120.300 0.076 0.000 2.293 167 Y HA -0.252 4.293 4.550 -0.008 0.000 0.291 167 Y C 2.356 178.323 175.900 0.111 0.000 1.137 167 Y CA 1.256 59.480 58.100 0.207 0.000 1.202 167 Y CB -0.465 38.264 38.460 0.450 0.000 0.990 167 Y HN 0.062 nan 8.280 nan 0.000 0.537 168 F N 0.424 120.141 119.950 -0.389 0.000 2.146 168 F HA -0.182 4.340 4.527 -0.008 0.000 0.298 168 F C 1.802 177.614 175.800 0.022 0.000 1.096 168 F CA 1.338 59.062 58.000 -0.461 0.000 1.275 168 F CB -0.653 37.859 39.000 -0.814 0.000 1.008 168 F HN -0.071 nan 8.300 nan 0.000 0.480 169 L N -0.087 121.019 121.223 -0.195 0.000 2.083 169 L HA -0.211 4.125 4.340 -0.008 0.000 0.209 169 L C 2.605 179.427 176.870 -0.079 0.000 1.083 169 L CA 1.429 56.145 54.840 -0.207 0.000 0.752 169 L CB -0.718 41.296 42.059 -0.075 0.000 0.899 169 L HN 0.090 nan 8.230 nan 0.000 0.433 170 R N 0.446 120.986 120.500 0.066 0.000 2.096 170 R HA -0.214 4.121 4.340 -0.008 0.000 0.235 170 R C 2.151 178.683 176.300 0.387 0.000 1.127 170 R CA 1.522 57.749 56.100 0.211 0.000 0.968 170 R CB -0.968 29.508 30.300 0.293 0.000 0.861 170 R HN 0.262 nan 8.270 nan 0.000 0.440 171 F N 0.641 120.746 119.950 0.259 0.000 2.095 171 F HA -0.146 4.376 4.527 -0.008 0.000 0.298 171 F C 1.677 177.587 175.800 0.182 0.000 1.104 171 F CA 1.685 59.871 58.000 0.310 0.000 1.232 171 F CB -0.397 38.784 39.000 0.301 0.000 0.987 171 F HN 0.033 nan 8.300 nan 0.000 0.475 172 L N -0.110 121.015 121.223 -0.164 0.000 2.079 172 L HA -0.273 4.063 4.340 -0.008 0.000 0.210 172 L C 2.540 179.346 176.870 -0.106 0.000 1.081 172 L CA 1.636 56.328 54.840 -0.246 0.000 0.752 172 L CB -0.930 40.957 42.059 -0.286 0.000 0.896 172 L HN 0.273 nan 8.230 nan 0.000 0.433 173 Q N -1.053 118.712 119.800 -0.058 0.000 2.084 173 Q HA -0.229 4.106 4.340 -0.008 0.000 0.202 173 Q C 2.135 178.139 176.000 0.006 0.000 0.978 173 Q CA 1.973 57.736 55.803 -0.068 0.000 0.844 173 Q CB -0.229 28.414 28.738 -0.157 0.000 0.898 173 Q HN 0.521 nan 8.270 nan 0.000 0.426 174 W N 1.093 122.445 121.300 0.087 0.000 2.363 174 W HA -0.133 4.523 4.660 -0.007 0.000 0.296 174 W C 2.204 178.759 176.519 0.060 0.000 1.212 174 W CA 0.489 57.942 57.345 0.180 0.000 1.260 174 W CB 0.175 29.785 29.460 0.249 0.000 1.131 174 W HN -0.013 nan 8.180 nan 0.000 0.530 175 K N -0.983 119.429 120.400 0.020 0.000 2.103 175 K HA -0.189 4.126 4.320 -0.008 0.000 0.204 175 K C 1.614 178.174 176.600 -0.066 0.000 1.052 175 K CA 1.306 57.515 56.287 -0.131 0.000 0.945 175 K CB -1.257 31.044 32.500 -0.331 0.000 0.722 175 K HN 0.321 nan 8.250 nan 0.000 0.443 176 W N 1.714 122.919 121.300 -0.158 0.000 2.335 176 W HA -0.242 4.413 4.660 -0.008 0.000 0.311 176 W C 1.908 178.332 176.519 -0.159 0.000 1.213 176 W CA 1.206 58.464 57.345 -0.145 0.000 1.274 176 W CB -0.324 29.062 29.460 -0.124 0.000 1.148 176 W HN 0.039 nan 8.180 nan 0.000 0.498 177 L N 1.354 122.677 121.223 0.166 0.000 2.056 177 L HA -0.163 4.172 4.340 -0.008 0.000 0.207 177 L C 2.399 179.005 176.870 -0.440 0.000 1.078 177 L CA 2.576 57.418 54.840 0.003 0.000 0.749 177 L CB -1.365 40.864 42.059 0.284 0.000 0.901 177 L HN 0.239 nan 8.230 nan 0.000 0.433 178 E N -0.648 119.156 120.200 -0.661 0.000 2.171 178 E HA -0.245 4.101 4.350 -0.008 0.000 0.197 178 E C 1.764 177.827 176.600 -0.895 0.000 0.997 178 E CA 1.163 56.752 56.400 -1.352 0.000 0.810 178 E CB -0.066 29.145 29.700 -0.815 0.000 0.738 178 E HN 0.599 nan 8.360 nan 0.000 0.467 179 A N 0.380 122.822 122.820 -0.631 0.000 2.275 179 A HA 0.043 4.359 4.320 -0.008 0.000 0.212 179 A C 0.692 177.943 177.584 -0.555 0.000 1.201 179 A CA -0.131 51.592 52.037 -0.523 0.000 0.843 179 A CB 0.182 18.925 19.000 -0.429 0.000 0.873 179 A HN 0.118 nan 8.150 nan 0.000 0.492 180 Q N 0.403 119.814 119.800 -0.648 0.000 2.368 180 Q HA 0.294 4.629 4.340 -0.008 0.000 0.237 180 Q C -2.527 173.224 176.000 -0.416 0.000 0.987 180 Q CA -2.338 53.128 55.803 -0.563 0.000 0.896 180 Q CB -0.365 28.024 28.738 -0.582 0.000 1.241 180 Q HN 0.097 nan 8.270 nan 0.000 0.485 181 P HA 0.041 nan 4.420 nan 0.000 0.261 181 P C -0.588 176.465 177.300 -0.411 0.000 1.203 181 P CA 0.791 63.751 63.100 -0.233 0.000 0.767 181 P CB 0.206 31.857 31.700 -0.081 0.000 0.785 182 M N 3.007 122.266 119.600 -0.568 0.000 2.353 182 M HA 0.311 4.787 4.480 -0.008 0.000 0.218 182 M C 0.569 176.526 176.300 -0.571 0.000 1.044 182 M CA -0.211 54.402 55.300 -1.145 0.000 0.615 182 M CB 1.646 33.587 32.600 -1.099 0.000 1.531 182 M HN 0.378 nan 8.290 nan 0.000 0.378 183 G N 0.600 109.160 108.800 -0.399 0.000 2.849 183 G HA2 0.251 4.206 3.960 -0.008 0.000 0.174 183 G HA3 0.251 4.206 3.960 -0.008 0.000 0.174 183 G C 0.639 175.099 174.900 -0.734 0.000 1.370 183 G CA -0.096 44.654 45.100 -0.583 0.000 1.040 183 G HN 0.684 nan 8.290 nan 0.000 0.582 184 E N -0.106 119.605 120.200 -0.814 0.000 2.130 184 E HA -0.200 4.145 4.350 -0.008 0.000 0.196 184 E C 1.180 177.712 176.600 -0.114 0.000 0.998 184 E CA 1.785 57.920 56.400 -0.441 0.000 0.806 184 E CB -0.235 29.442 29.700 -0.039 0.000 0.738 184 E HN 0.270 nan 8.360 nan 0.000 0.459 185 D N 0.022 120.386 120.400 -0.060 0.000 2.310 185 D HA -0.120 4.516 4.640 -0.008 0.000 0.212 185 D C 0.809 176.827 176.300 -0.469 0.000 0.965 185 D CA 0.757 54.693 54.000 -0.108 0.000 0.879 185 D CB -0.293 40.527 40.800 0.033 0.000 0.921 185 D HN 0.454 nan 8.370 nan 0.000 0.510 186 W N -0.236 120.664 121.300 -0.667 0.000 3.180 186 W HA 0.184 4.839 4.660 -0.008 0.000 0.254 186 W C -0.061 175.793 176.519 -1.109 0.000 1.318 186 W CA -0.183 56.521 57.345 -1.068 0.000 1.608 186 W CB -0.208 28.655 29.460 -0.996 0.000 1.124 186 W HN -0.223 nan 8.180 nan 0.000 0.694 187 F N 0.394 120.235 119.950 -0.183 0.000 2.520 187 F HA 0.422 4.944 4.527 -0.008 0.000 0.322 187 F C -0.448 175.326 175.800 -0.042 0.000 1.103 187 F CA -1.393 56.566 58.000 -0.067 0.000 0.926 187 F CB 1.257 40.250 39.000 -0.011 0.000 1.154 187 F HN -0.510 nan 8.300 nan 0.000 0.453 188 L N 4.093 125.428 121.223 0.186 0.000 2.276 188 L HA 0.481 4.816 4.340 -0.008 0.000 0.286 188 L C -0.837 176.179 176.870 0.243 0.000 1.024 188 L CA -0.310 54.630 54.840 0.165 0.000 0.826 188 L CB 0.309 42.458 42.059 0.150 0.000 1.211 188 L HN 0.416 nan 8.230 nan 0.000 0.422 189 D N 4.998 125.465 120.400 0.111 0.000 2.312 189 D HA 0.156 4.791 4.640 -0.008 0.000 0.252 189 D C 0.359 176.750 176.300 0.151 0.000 1.150 189 D CA 0.322 54.333 54.000 0.019 0.000 0.870 189 D CB 0.925 41.530 40.800 -0.324 0.000 1.153 189 D HN 0.546 nan 8.370 nan 0.000 0.457 190 F N 0.747 120.796 119.950 0.166 0.000 2.817 190 F HA 0.376 4.899 4.527 -0.008 0.000 0.333 190 F C 0.293 176.194 175.800 0.169 0.000 1.085 190 F CA -0.760 57.325 58.000 0.142 0.000 1.170 190 F CB 0.604 39.664 39.000 0.100 0.000 1.066 190 F HN 0.135 nan 8.300 nan 0.000 0.564 191 R N 0.808 121.270 120.500 -0.063 0.000 2.604 191 R HA 0.524 4.859 4.340 -0.008 0.000 0.261 191 R C -2.118 174.133 176.300 -0.083 0.000 1.080 191 R CA -0.672 55.427 56.100 -0.002 0.000 0.917 191 R CB 2.170 32.464 30.300 -0.010 0.000 1.252 191 R HN -0.043 nan 8.270 nan 0.000 0.456 192 V N 6.046 125.867 119.914 -0.155 0.000 2.488 192 V HA 0.160 4.275 4.120 -0.008 0.000 0.277 192 V C 1.166 177.112 176.094 -0.247 0.000 1.046 192 V CA -0.018 62.042 62.300 -0.400 0.000 0.986 192 V CB 1.315 32.896 31.823 -0.403 0.000 0.989 192 V HN 0.762 nan 8.190 nan 0.000 0.475 193 L N 3.804 124.875 121.223 -0.254 0.000 2.298 193 L HA 0.467 4.802 4.340 -0.008 0.000 0.209 193 L C 1.085 177.880 176.870 -0.125 0.000 1.084 193 L CA 0.989 55.745 54.840 -0.141 0.000 0.816 193 L CB 0.202 42.203 42.059 -0.097 0.000 0.967 193 L HN 0.838 nan 8.230 nan 0.000 0.460 194 G N -0.696 108.005 108.800 -0.165 0.000 2.441 194 G HA2 0.365 4.320 3.960 -0.008 0.000 0.294 194 G HA3 0.365 4.320 3.960 -0.008 0.000 0.294 194 G C -1.861 172.956 174.900 -0.138 0.000 1.393 194 G CA -0.681 44.350 45.100 -0.116 0.000 0.796 194 G HN -0.139 nan 8.290 nan 0.000 0.494 195 R N -0.132 120.314 120.500 -0.090 0.000 2.480 195 R HA 0.647 4.983 4.340 -0.008 0.000 0.306 195 R C 0.191 176.447 176.300 -0.073 0.000 0.958 195 R CA -0.154 55.891 56.100 -0.091 0.000 0.861 195 R CB 1.539 31.796 30.300 -0.071 0.000 1.171 195 R HN 0.874 nan 8.270 nan 0.000 0.445 196 G N 0.631 109.384 108.800 -0.080 0.000 2.887 196 G HA2 0.346 4.302 3.960 -0.008 0.000 0.277 196 G HA3 0.346 4.302 3.960 -0.008 0.000 0.277 196 G C 0.584 175.378 174.900 -0.176 0.000 1.346 196 G CA -0.323 44.731 45.100 -0.076 0.000 1.058 196 G HN 0.653 nan 8.290 nan 0.000 0.535 197 G N -1.261 107.401 108.800 -0.229 0.000 2.443 197 G HA2 0.003 3.958 3.960 -0.008 0.000 0.219 197 G HA3 0.003 3.958 3.960 -0.008 0.000 0.219 197 G C 0.820 175.247 174.900 -0.789 0.000 1.131 197 G CA 0.537 45.307 45.100 -0.549 0.000 0.775 197 G HN 0.345 nan 8.290 nan 0.000 0.547 198 F N -0.007 119.872 119.950 -0.118 0.000 2.706 198 F HA 0.484 5.007 4.527 -0.008 0.000 0.313 198 F C 1.127 176.877 175.800 -0.083 0.000 1.096 198 F CA 0.236 58.178 58.000 -0.096 0.000 1.219 198 F CB 1.430 40.397 39.000 -0.055 0.000 1.051 198 F HN 0.311 nan 8.300 nan 0.000 0.568 199 G N -0.026 108.789 108.800 0.026 0.000 2.320 199 G HA2 0.242 4.197 3.960 -0.008 0.000 0.297 199 G HA3 0.242 4.197 3.960 -0.008 0.000 0.297 199 G C -1.648 173.245 174.900 -0.011 0.000 1.344 199 G CA -1.045 44.070 45.100 0.026 0.000 0.851 199 G HN -0.042 nan 8.290 nan 0.000 0.567 200 E N -1.278 118.923 120.200 0.000 0.000 2.349 200 E HA 0.526 4.871 4.350 -0.008 0.000 0.262 200 E C -0.347 176.194 176.600 -0.099 0.000 1.088 200 E CA -0.491 55.823 56.400 -0.144 0.000 0.899 200 E CB 2.025 31.502 29.700 -0.371 0.000 1.044 200 E HN 0.303 nan 8.360 nan 0.000 0.420 201 V N 3.090 122.876 119.914 -0.213 0.000 2.417 201 V HA 0.327 4.442 4.120 -0.008 0.000 0.291 201 V C -0.855 175.078 176.094 -0.268 0.000 1.024 201 V CA -0.557 61.679 62.300 -0.106 0.000 0.861 201 V CB 0.352 32.138 31.823 -0.061 0.000 0.985 201 V HN 0.474 nan 8.190 nan 0.000 0.436 202 F N 2.381 122.288 119.950 -0.072 0.000 2.450 202 F HA 0.729 5.251 4.527 -0.008 0.000 0.332 202 F C 0.728 176.426 175.800 -0.170 0.000 1.093 202 F CA -0.681 57.246 58.000 -0.121 0.000 1.003 202 F CB 1.575 40.511 39.000 -0.106 0.000 1.151 202 F HN 0.547 nan 8.300 nan 0.000 0.474 203 A N 2.166 124.894 122.820 -0.153 0.000 2.450 203 A HA 0.504 4.819 4.320 -0.008 0.000 0.255 203 A C -0.222 177.026 177.584 -0.561 0.000 1.096 203 A CA -0.259 51.551 52.037 -0.379 0.000 0.778 203 A CB -0.557 18.056 19.000 -0.644 0.000 1.031 203 A HN 1.033 nan 8.150 nan 0.000 0.494 204 C N 1.366 120.604 119.300 -0.104 0.000 3.171 204 C HA 0.847 5.302 4.460 -0.008 0.000 0.308 204 C C -0.828 174.456 174.990 0.490 0.000 1.334 204 C CA -0.717 58.413 59.018 0.186 0.000 1.473 204 C CB 0.946 28.818 27.740 0.219 0.000 1.866 204 C HN 0.983 nan 8.230 nan 0.000 0.465 205 Q N 1.686 121.796 119.800 0.516 0.000 2.340 205 Q HA 0.473 4.809 4.340 -0.008 0.000 0.268 205 Q C -0.781 175.406 176.000 0.312 0.000 1.031 205 Q CA -0.613 55.435 55.803 0.407 0.000 0.804 205 Q CB 1.670 30.577 28.738 0.282 0.000 1.286 205 Q HN 0.898 nan 8.270 nan 0.000 0.448 206 M N 4.462 124.244 119.600 0.302 0.000 2.220 206 M HA 0.086 4.561 4.480 -0.008 0.000 0.343 206 M C 0.098 176.382 176.300 -0.027 0.000 1.470 206 M CA 0.775 56.067 55.300 -0.013 0.000 1.161 206 M CB 0.373 33.089 32.600 0.194 0.000 1.737 206 M HN 0.772 nan 8.290 nan 0.000 0.464 207 K N 3.440 123.733 120.400 -0.178 0.000 2.063 207 K HA -0.157 4.159 4.320 -0.008 0.000 0.208 207 K C 1.677 178.267 176.600 -0.017 0.000 1.048 207 K CA 1.771 57.981 56.287 -0.128 0.000 0.928 207 K CB -0.066 32.234 32.500 -0.333 0.000 0.713 207 K HN 0.821 nan 8.250 nan 0.000 0.442 208 A N 0.904 123.749 122.820 0.041 0.000 1.930 208 A HA -0.132 4.183 4.320 -0.008 0.000 0.217 208 A C 2.181 179.846 177.584 0.135 0.000 1.175 208 A CA 2.079 54.200 52.037 0.139 0.000 0.627 208 A CB -0.561 18.634 19.000 0.324 0.000 0.815 208 A HN 0.483 nan 8.150 nan 0.000 0.443 209 T N -6.045 108.591 114.554 0.137 0.000 2.990 209 T HA 0.425 4.770 4.350 -0.008 0.000 0.249 209 T C 1.474 176.223 174.700 0.081 0.000 1.039 209 T CA 1.105 63.274 62.100 0.115 0.000 1.036 209 T CB 0.359 69.307 68.868 0.132 0.000 0.994 209 T HN 1.677 nan 8.240 nan 0.000 0.489 210 G N 1.773 110.621 108.800 0.080 0.000 2.179 210 G HA2 -0.297 3.659 3.960 -0.008 0.000 0.260 210 G HA3 -0.297 3.659 3.960 -0.008 0.000 0.260 210 G C 0.006 174.947 174.900 0.069 0.000 0.977 210 G CA 0.363 45.499 45.100 0.060 0.000 0.641 210 G HN 0.870 nan 8.290 nan 0.000 0.533 211 K N 0.721 121.173 120.400 0.087 0.000 2.401 211 K HA 0.472 4.788 4.320 -0.008 0.000 0.278 211 K C 0.733 177.344 176.600 0.019 0.000 1.018 211 K CA -0.461 55.828 56.287 0.003 0.000 0.981 211 K CB 0.095 32.562 32.500 -0.054 0.000 0.933 211 K HN 0.247 nan 8.250 nan 0.000 0.477 212 L N 5.436 126.625 121.223 -0.056 0.000 2.305 212 L HA 0.301 4.636 4.340 -0.008 0.000 0.281 212 L C -0.559 176.243 176.870 -0.113 0.000 1.085 212 L CA -0.505 54.373 54.840 0.064 0.000 0.813 212 L CB 0.290 42.426 42.059 0.129 0.000 1.157 212 L HN 0.674 nan 8.230 nan 0.000 0.436 213 Y N 0.736 121.166 120.300 0.216 0.000 2.638 213 Y HA 0.649 5.194 4.550 -0.008 0.000 0.339 213 Y C 0.102 176.065 175.900 0.106 0.000 1.084 213 Y CA -0.987 57.214 58.100 0.169 0.000 1.068 213 Y CB 2.001 40.590 38.460 0.215 0.000 1.294 213 Y HN 0.549 nan 8.280 nan 0.000 0.480 214 A N 0.523 123.508 122.820 0.275 0.000 2.305 214 A HA 0.549 4.865 4.320 -0.008 0.000 0.322 214 A C -1.192 176.454 177.584 0.104 0.000 1.187 214 A CA -0.460 51.661 52.037 0.140 0.000 0.825 214 A CB 0.375 19.431 19.000 0.094 0.000 1.164 214 A HN 0.797 nan 8.150 nan 0.000 0.498 215 C N 3.600 122.946 119.300 0.077 0.000 2.271 215 C HA 0.577 5.032 4.460 -0.008 0.000 0.323 215 C C 0.189 175.211 174.990 0.054 0.000 1.245 215 C CA -0.741 58.281 59.018 0.008 0.000 1.548 215 C CB -0.598 27.132 27.740 -0.017 0.000 2.214 215 C HN 0.881 nan 8.230 nan 0.000 0.477 216 K N 5.690 126.089 120.400 -0.002 0.000 2.285 216 K HA 0.336 4.651 4.320 -0.008 0.000 0.286 216 K C -0.250 176.341 176.600 -0.014 0.000 1.072 216 K CA -0.028 56.269 56.287 0.016 0.000 0.913 216 K CB 0.373 32.882 32.500 0.015 0.000 1.067 216 K HN 0.687 nan 8.250 nan 0.000 0.479 217 K N 5.261 125.683 120.400 0.037 0.000 2.159 217 K HA 0.353 4.668 4.320 -0.008 0.000 0.266 217 K C -0.635 175.967 176.600 0.003 0.000 0.975 217 K CA -0.677 55.610 56.287 -0.001 0.000 0.865 217 K CB 1.325 33.872 32.500 0.079 0.000 1.087 217 K HN 0.484 nan 8.250 nan 0.000 0.446 218 L N 2.828 124.007 121.223 -0.074 0.000 2.342 218 L HA 0.266 4.601 4.340 -0.008 0.000 0.276 218 L C 0.153 176.963 176.870 -0.101 0.000 0.997 218 L CA -0.840 53.963 54.840 -0.063 0.000 0.838 218 L CB 1.135 43.072 42.059 -0.202 0.000 1.224 218 L HN 0.640 nan 8.230 nan 0.000 0.416 219 N N 3.314 122.025 118.700 0.018 0.000 2.440 219 N HA -0.025 4.710 4.740 -0.008 0.000 0.265 219 N C 0.758 176.266 175.510 -0.003 0.000 1.239 219 N CA 0.192 53.253 53.050 0.018 0.000 0.909 219 N CB 1.069 39.611 38.487 0.091 0.000 1.066 219 N HN 0.655 nan 8.380 nan 0.000 0.474 220 K N 3.585 123.930 120.400 -0.091 0.000 2.032 220 K HA -0.171 4.144 4.320 -0.008 0.000 0.209 220 K C 1.680 178.492 176.600 0.353 0.000 1.048 220 K CA 1.497 57.714 56.287 -0.117 0.000 0.927 220 K CB 0.094 32.294 32.500 -0.501 0.000 0.712 220 K HN 0.560 nan 8.250 nan 0.000 0.441 221 K N 0.564 121.224 120.400 0.432 0.000 2.026 221 K HA -0.137 4.179 4.320 -0.008 0.000 0.208 221 K C 2.268 179.024 176.600 0.259 0.000 1.048 221 K CA 1.301 57.810 56.287 0.370 0.000 0.929 221 K CB -0.102 32.502 32.500 0.173 0.000 0.713 221 K HN 0.121 nan 8.250 nan 0.000 0.439 222 R N 0.750 121.386 120.500 0.228 0.000 2.075 222 R HA -0.048 4.287 4.340 -0.008 0.000 0.232 222 R C 2.441 178.940 176.300 0.332 0.000 1.126 222 R CA 0.967 57.227 56.100 0.267 0.000 0.963 222 R CB -0.354 30.129 30.300 0.305 0.000 0.858 222 R HN 0.165 nan 8.270 nan 0.000 0.435 223 L N 0.952 122.287 121.223 0.187 0.000 2.012 223 L HA -0.248 4.088 4.340 -0.008 0.000 0.210 223 L C 2.708 179.579 176.870 0.001 0.000 1.073 223 L CA 1.557 56.336 54.840 -0.102 0.000 0.748 223 L CB -0.385 41.630 42.059 -0.074 0.000 0.891 223 L HN 0.212 nan 8.230 nan 0.000 0.431 224 K N 0.435 120.933 120.400 0.163 0.000 2.002 224 K HA -0.272 4.043 4.320 -0.008 0.000 0.209 224 K C 2.251 178.814 176.600 -0.062 0.000 1.048 224 K CA 1.702 57.972 56.287 -0.029 0.000 0.930 224 K CB 0.008 32.716 32.500 0.347 0.000 0.714 224 K HN -0.081 nan 8.250 nan 0.000 0.438 225 K N 1.193 121.632 120.400 0.065 0.000 2.074 225 K HA -0.121 4.194 4.320 -0.008 0.000 0.209 225 K C 1.564 178.186 176.600 0.036 0.000 1.048 225 K CA 1.615 57.931 56.287 0.050 0.000 0.926 225 K CB 0.007 32.558 32.500 0.086 0.000 0.713 225 K HN 0.147 nan 8.250 nan 0.000 0.444 226 R N 0.720 121.276 120.500 0.093 0.000 2.356 226 R HA 0.132 4.467 4.340 -0.008 0.000 0.234 226 R C -0.341 175.986 176.300 0.045 0.000 0.929 226 R CA 0.091 56.262 56.100 0.119 0.000 1.084 226 R CB 0.077 30.543 30.300 0.277 0.000 1.105 226 R HN 0.177 nan 8.270 nan 0.000 0.515 227 K N -0.050 120.290 120.400 -0.101 0.000 3.257 227 K HA -0.165 4.151 4.320 -0.008 0.000 0.270 227 K C 0.666 177.168 176.600 -0.163 0.000 0.984 227 K CA 0.425 56.579 56.287 -0.222 0.000 0.739 227 K CB -1.499 30.917 32.500 -0.140 0.000 1.351 227 K HN 0.498 nan 8.250 nan 0.000 0.463 228 G N -0.730 107.957 108.800 -0.188 0.000 3.337 228 G HA2 0.018 3.973 3.960 -0.008 0.000 0.246 228 G HA3 0.018 3.973 3.960 -0.008 0.000 0.246 228 G C 0.870 175.717 174.900 -0.087 0.000 1.131 228 G CA -0.282 44.729 45.100 -0.148 0.000 0.773 228 G HN 0.479 nan 8.290 nan 0.000 0.544 229 Y N 0.483 120.617 120.300 -0.276 0.000 2.145 229 Y HA -0.244 4.301 4.550 -0.008 0.000 0.286 229 Y C 3.136 178.936 175.900 -0.166 0.000 1.145 229 Y CA 1.171 59.020 58.100 -0.419 0.000 1.148 229 Y CB 0.050 37.896 38.460 -1.022 0.000 0.981 229 Y HN 0.260 nan 8.280 nan 0.000 0.507 230 Q N -0.195 119.628 119.800 0.038 0.000 2.050 230 Q HA -0.147 4.189 4.340 -0.008 0.000 0.202 230 Q C 2.636 178.713 176.000 0.128 0.000 0.980 230 Q CA 1.236 57.090 55.803 0.085 0.000 0.840 230 Q CB -0.514 28.250 28.738 0.043 0.000 0.898 230 Q HN 0.554 nan 8.270 nan 0.000 0.424 231 G N 0.855 109.716 108.800 0.102 0.000 2.440 231 G HA2 -0.278 3.677 3.960 -0.008 0.000 0.218 231 G HA3 -0.278 3.677 3.960 -0.008 0.000 0.218 231 G C 1.504 176.493 174.900 0.148 0.000 1.154 231 G CA 0.989 46.160 45.100 0.117 0.000 0.767 231 G HN 0.428 nan 8.290 nan 0.000 0.552 232 A N 0.237 123.147 122.820 0.150 0.000 1.877 232 A HA -0.018 4.297 4.320 -0.008 0.000 0.216 232 A C 2.341 180.169 177.584 0.407 0.000 1.186 232 A CA 2.323 54.488 52.037 0.214 0.000 0.620 232 A CB -0.384 18.665 19.000 0.082 0.000 0.822 232 A HN 0.401 nan 8.150 nan 0.000 0.443 233 M N -0.461 119.403 119.600 0.440 0.000 2.175 233 M HA -0.047 4.428 4.480 -0.008 0.000 0.264 233 M C 1.884 178.291 176.300 0.177 0.000 1.063 233 M CA 1.522 57.049 55.300 0.379 0.000 1.119 233 M CB -0.509 32.353 32.600 0.436 0.000 1.377 233 M HN 0.100 nan 8.290 nan 0.000 0.415 234 V N 0.220 120.230 119.914 0.159 0.000 2.343 234 V HA -0.268 3.848 4.120 -0.008 0.000 0.247 234 V C 2.340 178.482 176.094 0.079 0.000 1.051 234 V CA 2.259 64.621 62.300 0.103 0.000 1.036 234 V CB -0.714 31.171 31.823 0.104 0.000 0.654 234 V HN 0.656 nan 8.190 nan 0.000 0.451 235 E N 0.065 120.327 120.200 0.104 0.000 2.051 235 E HA -0.268 4.077 4.350 -0.008 0.000 0.192 235 E C 2.388 179.001 176.600 0.021 0.000 0.991 235 E CA 1.463 57.910 56.400 0.078 0.000 0.799 235 E CB -0.203 29.562 29.700 0.110 0.000 0.748 235 E HN 0.447 nan 8.360 nan 0.000 0.449 236 K N 0.739 121.145 120.400 0.010 0.000 2.032 236 K HA -0.216 4.099 4.320 -0.008 0.000 0.209 236 K C 2.107 178.614 176.600 -0.154 0.000 1.048 236 K CA 1.756 57.950 56.287 -0.155 0.000 0.927 236 K CB -0.032 32.197 32.500 -0.452 0.000 0.712 236 K HN 0.046 nan 8.250 nan 0.000 0.441 237 K N 0.309 120.648 120.400 -0.102 0.000 2.057 237 K HA -0.089 4.226 4.320 -0.008 0.000 0.207 237 K C 2.231 178.790 176.600 -0.068 0.000 1.049 237 K CA 1.479 57.715 56.287 -0.085 0.000 0.931 237 K CB -0.132 32.344 32.500 -0.039 0.000 0.714 237 K HN 0.158 nan 8.250 nan 0.000 0.440 238 I N 1.133 121.677 120.570 -0.043 0.000 2.202 238 I HA -0.281 3.884 4.170 -0.008 0.000 0.242 238 I C 2.146 178.210 176.117 -0.089 0.000 1.091 238 I CA 1.209 62.482 61.300 -0.046 0.000 1.368 238 I CB -0.247 37.745 38.000 -0.014 0.000 1.058 238 I HN 0.113 nan 8.210 nan 0.000 0.410 239 L N 0.457 121.625 121.223 -0.092 0.000 2.191 239 L HA -0.194 4.142 4.340 -0.008 0.000 0.212 239 L C 2.775 179.547 176.870 -0.164 0.000 1.103 239 L CA 1.133 55.902 54.840 -0.119 0.000 0.769 239 L CB -0.722 41.285 42.059 -0.087 0.000 0.908 239 L HN 0.274 nan 8.230 nan 0.000 0.438 240 A N 1.031 123.760 122.820 -0.152 0.000 1.929 240 A HA -0.184 4.132 4.320 -0.008 0.000 0.216 240 A C 2.335 179.803 177.584 -0.193 0.000 1.176 240 A CA 1.655 53.603 52.037 -0.149 0.000 0.628 240 A CB -0.263 18.658 19.000 -0.131 0.000 0.816 240 A HN 0.501 nan 8.150 nan 0.000 0.444 241 K N 0.037 120.330 120.400 -0.178 0.000 2.361 241 K HA 0.130 4.446 4.320 -0.008 0.000 0.196 241 K C 0.368 176.805 176.600 -0.270 0.000 1.039 241 K CA 0.758 56.962 56.287 -0.137 0.000 1.001 241 K CB -0.461 32.012 32.500 -0.044 0.000 0.795 241 K HN 0.375 nan 8.250 nan 0.000 0.495 242 V N 0.185 119.890 119.914 -0.348 0.000 2.617 242 V HA 0.400 4.515 4.120 -0.008 0.000 0.298 242 V C -1.337 174.416 176.094 -0.567 0.000 1.048 242 V CA -0.831 61.344 62.300 -0.209 0.000 0.964 242 V CB 0.882 32.694 31.823 -0.017 0.000 1.004 242 V HN 0.240 nan 8.190 nan 0.000 0.466 243 H N 2.341 121.446 119.070 0.059 0.000 3.036 243 H HA 0.724 5.275 4.556 -0.008 0.000 0.295 243 H C -0.360 174.792 175.328 -0.295 0.000 1.124 243 H CA 0.131 56.134 56.048 -0.074 0.000 1.507 243 H CB 1.373 31.137 29.762 0.003 0.000 1.591 243 H HN 0.967 nan 8.280 nan 0.000 0.510 244 S N 1.576 117.074 115.700 -0.337 0.000 2.536 244 S HA 0.221 4.686 4.470 -0.008 0.000 0.271 244 S C 0.890 175.301 174.600 -0.316 0.000 1.134 244 S CA -1.081 56.844 58.200 -0.458 0.000 0.897 244 S CB 1.111 63.855 63.200 -0.761 0.000 1.094 244 S HN 0.860 nan 8.310 nan 0.000 0.473 245 R N 1.773 122.023 120.500 -0.418 0.000 2.357 245 R HA 0.096 4.432 4.340 -0.008 0.000 0.202 245 R C -0.123 175.779 176.300 -0.664 0.000 1.047 245 R CA 1.328 57.098 56.100 -0.550 0.000 1.034 245 R CB -0.477 29.414 30.300 -0.680 0.000 0.875 245 R HN 0.510 nan 8.270 nan 0.000 0.473 246 F N 0.752 120.633 119.950 -0.115 0.000 2.661 246 F HA 0.466 4.989 4.527 -0.007 0.000 0.306 246 F C 0.253 175.978 175.800 -0.124 0.000 1.094 246 F CA -0.708 57.233 58.000 -0.099 0.000 1.254 246 F CB 0.586 39.534 39.000 -0.087 0.000 1.040 246 F HN -0.119 nan 8.300 nan 0.000 0.562 247 I N 0.576 121.117 120.570 -0.048 0.000 2.582 247 I HA 0.285 4.451 4.170 -0.008 0.000 0.292 247 I C -0.371 175.695 176.117 -0.085 0.000 1.066 247 I CA -1.628 59.617 61.300 -0.090 0.000 1.053 247 I CB 2.178 40.090 38.000 -0.148 0.000 1.241 247 I HN -0.281 nan 8.210 nan 0.000 0.421 248 V N 2.197 122.077 119.914 -0.057 0.000 2.720 248 V HA 0.129 4.245 4.120 -0.008 0.000 0.307 248 V C 0.415 176.484 176.094 -0.042 0.000 1.071 248 V CA 0.061 62.344 62.300 -0.029 0.000 1.199 248 V CB 1.061 32.882 31.823 -0.003 0.000 0.900 248 V HN 0.817 nan 8.190 nan 0.000 0.494 249 S N 4.588 120.282 115.700 -0.010 0.000 2.433 249 S HA 0.570 5.036 4.470 -0.008 0.000 0.310 249 S C -0.630 173.979 174.600 0.016 0.000 1.097 249 S CA -0.752 57.442 58.200 -0.010 0.000 1.103 249 S CB 0.879 64.096 63.200 0.028 0.000 0.992 249 S HN 0.927 nan 8.310 nan 0.000 0.469 250 L N 5.689 126.891 121.223 -0.035 0.000 2.360 250 L HA 0.573 4.909 4.340 -0.008 0.000 0.276 250 L C 0.801 177.639 176.870 -0.055 0.000 1.121 250 L CA 0.536 55.346 54.840 -0.051 0.000 0.845 250 L CB 0.823 42.823 42.059 -0.098 0.000 1.143 250 L HN 0.821 nan 8.230 nan 0.000 0.452 251 A N 4.270 127.038 122.820 -0.087 0.000 2.013 251 A HA 0.291 4.606 4.320 -0.008 0.000 0.204 251 A C -0.381 176.904 177.584 -0.498 0.000 1.262 251 A CA 0.459 52.350 52.037 -0.243 0.000 0.800 251 A CB 0.072 18.934 19.000 -0.229 0.000 0.909 251 A HN 0.621 nan 8.150 nan 0.000 0.472 252 Y N -1.657 118.560 120.300 -0.140 0.000 2.504 252 Y HA 0.660 5.205 4.550 -0.008 0.000 0.344 252 Y C -0.163 175.641 175.900 -0.161 0.000 1.023 252 Y CA -1.052 56.992 58.100 -0.092 0.000 1.020 252 Y CB 1.782 40.248 38.460 0.009 0.000 1.282 252 Y HN 0.188 nan 8.280 nan 0.000 0.454 253 A N 3.578 126.404 122.820 0.010 0.000 2.335 253 A HA 0.878 5.193 4.320 -0.008 0.000 0.304 253 A C -1.354 176.248 177.584 0.030 0.000 1.118 253 A CA -0.544 51.413 52.037 -0.133 0.000 0.757 253 A CB 0.214 19.011 19.000 -0.338 0.000 1.188 253 A HN 0.695 nan 8.150 nan 0.000 0.460 254 F N 0.464 120.403 119.950 -0.018 0.000 2.726 254 F HA 0.864 5.387 4.527 -0.008 0.000 0.324 254 F C -0.489 175.313 175.800 0.004 0.000 1.140 254 F CA -1.026 56.966 58.000 -0.013 0.000 0.964 254 F CB 1.158 40.139 39.000 -0.033 0.000 1.399 254 F HN 0.627 nan 8.300 nan 0.000 0.491 255 E N -0.073 120.293 120.200 0.276 0.000 2.312 255 E HA 0.663 5.008 4.350 -0.008 0.000 0.267 255 E C -1.266 175.439 176.600 0.176 0.000 0.894 255 E CA -0.925 55.526 56.400 0.085 0.000 0.773 255 E CB 2.419 32.103 29.700 -0.027 0.000 1.241 255 E HN 0.871 nan 8.360 nan 0.000 0.432 256 T N -1.231 113.358 114.554 0.058 0.000 2.841 256 T HA 0.294 4.639 4.350 -0.008 0.000 0.276 256 T C 0.956 175.649 174.700 -0.012 0.000 1.003 256 T CA -0.681 61.454 62.100 0.058 0.000 0.995 256 T CB 1.469 70.379 68.868 0.071 0.000 1.260 256 T HN 0.620 nan 8.240 nan 0.000 0.581 257 K N 0.009 120.418 120.400 0.016 0.000 2.063 257 K HA -0.134 4.181 4.320 -0.008 0.000 0.208 257 K C 2.013 178.621 176.600 0.013 0.000 1.048 257 K CA 2.273 58.577 56.287 0.028 0.000 0.928 257 K CB -0.606 31.926 32.500 0.052 0.000 0.713 257 K HN 0.809 nan 8.250 nan 0.000 0.442 258 T N -2.845 111.704 114.554 -0.009 0.000 2.990 258 T HA 0.163 4.508 4.350 -0.008 0.000 0.250 258 T C 0.119 174.761 174.700 -0.097 0.000 1.041 258 T CA -0.406 61.692 62.100 -0.004 0.000 1.010 258 T CB 0.321 69.204 68.868 0.026 0.000 1.003 258 T HN -0.038 nan 8.240 nan 0.000 0.499 259 D N 0.698 121.003 120.400 -0.158 0.000 2.645 259 D HA 0.492 5.128 4.640 -0.008 0.000 0.228 259 D C -0.859 175.244 176.300 -0.328 0.000 1.148 259 D CA -0.576 53.295 54.000 -0.215 0.000 0.860 259 D CB 2.666 43.392 40.800 -0.125 0.000 1.548 259 D HN 0.180 nan 8.370 nan 0.000 0.460 260 L N 0.701 121.671 121.223 -0.422 0.000 2.357 260 L HA 0.532 4.867 4.340 -0.008 0.000 0.273 260 L C -0.358 176.310 176.870 -0.337 0.000 1.080 260 L CA -0.600 53.965 54.840 -0.458 0.000 0.803 260 L CB 1.331 42.865 42.059 -0.876 0.000 1.174 260 L HN 0.266 nan 8.230 nan 0.000 0.443 261 C N 3.672 122.751 119.300 -0.367 0.000 2.482 261 C HA 0.576 5.031 4.460 -0.008 0.000 0.317 261 C C -0.166 174.555 174.990 -0.448 0.000 1.197 261 C CA -0.806 57.888 59.018 -0.539 0.000 1.432 261 C CB 1.333 28.376 27.740 -1.161 0.000 2.062 261 C HN 0.587 nan 8.230 nan 0.000 0.471 262 L N 3.402 124.469 121.223 -0.260 0.000 2.316 262 L HA 0.554 4.889 4.340 -0.008 0.000 0.280 262 L C -0.572 176.184 176.870 -0.190 0.000 1.006 262 L CA -0.439 54.294 54.840 -0.179 0.000 0.836 262 L CB 1.348 43.381 42.059 -0.043 0.000 1.221 262 L HN 0.402 nan 8.230 nan 0.000 0.418 263 V N 5.394 125.177 119.914 -0.219 0.000 2.383 263 V HA 0.497 4.612 4.120 -0.008 0.000 0.275 263 V C 0.269 176.309 176.094 -0.091 0.000 1.036 263 V CA -0.250 61.928 62.300 -0.204 0.000 0.889 263 V CB 1.257 32.842 31.823 -0.397 0.000 0.985 263 V HN 0.834 nan 8.190 nan 0.000 0.459 264 M N 2.361 121.989 119.600 0.046 0.000 2.716 264 M HA 0.611 5.086 4.480 -0.008 0.000 0.278 264 M C -0.264 176.217 176.300 0.301 0.000 1.281 264 M CA -0.692 54.690 55.300 0.136 0.000 0.814 264 M CB 1.957 34.592 32.600 0.057 0.000 1.719 264 M HN 0.296 nan 8.290 nan 0.000 0.457 265 T N 2.208 116.904 114.554 0.236 0.000 2.819 265 T HA 0.086 4.431 4.350 -0.008 0.000 0.282 265 T C 0.006 174.789 174.700 0.138 0.000 1.013 265 T CA 0.253 62.459 62.100 0.176 0.000 1.159 265 T CB -0.513 68.404 68.868 0.083 0.000 1.007 265 T HN 0.532 nan 8.240 nan 0.000 0.514 266 I N 4.325 124.964 120.570 0.116 0.000 2.471 266 I HA 0.155 4.320 4.170 -0.008 0.000 0.286 266 I C 0.075 176.230 176.117 0.063 0.000 1.079 266 I CA -0.303 61.052 61.300 0.090 0.000 1.398 266 I CB 0.318 38.371 38.000 0.088 0.000 1.403 266 I HN 0.482 nan 8.210 nan 0.000 0.530 267 M N 7.554 127.191 119.600 0.060 0.000 2.158 267 M HA 0.247 4.722 4.480 -0.008 0.000 0.326 267 M C 0.209 176.549 176.300 0.067 0.000 1.014 267 M CA -0.174 55.160 55.300 0.056 0.000 0.961 267 M CB 0.327 32.956 32.600 0.049 0.000 1.327 267 M HN 0.541 nan 8.290 nan 0.000 0.393 268 N N 1.076 119.823 118.700 0.079 0.000 2.461 268 N HA 0.062 4.797 4.740 -0.008 0.000 0.188 268 N C 1.426 177.029 175.510 0.156 0.000 1.134 268 N CA 0.334 53.445 53.050 0.102 0.000 0.878 268 N CB 0.561 39.110 38.487 0.104 0.000 0.972 268 N HN 0.768 nan 8.380 nan 0.000 0.456 269 G N -0.581 108.307 108.800 0.147 0.000 3.141 269 G HA2 0.394 4.349 3.960 -0.008 0.000 0.218 269 G HA3 0.394 4.349 3.960 -0.008 0.000 0.218 269 G C 0.730 175.786 174.900 0.261 0.000 1.170 269 G CA 0.338 45.551 45.100 0.189 0.000 0.769 269 G HN 0.448 nan 8.290 nan 0.000 0.546 270 G N 0.386 109.303 108.800 0.197 0.000 2.698 270 G HA2 0.119 4.075 3.960 -0.008 0.000 0.225 270 G HA3 0.119 4.075 3.960 -0.008 0.000 0.225 270 G C -0.614 174.392 174.900 0.176 0.000 1.345 270 G CA -0.079 45.111 45.100 0.149 0.000 0.871 270 G HN 0.918 nan 8.290 nan 0.000 0.540 271 D N -1.612 118.909 120.400 0.200 0.000 2.374 271 D HA 0.672 5.308 4.640 -0.008 0.000 0.239 271 D C 1.566 178.043 176.300 0.296 0.000 0.991 271 D CA -0.764 53.352 54.000 0.193 0.000 0.960 271 D CB 1.152 42.034 40.800 0.137 0.000 1.284 271 D HN 0.443 nan 8.370 nan 0.000 0.512 272 I N -0.291 120.397 120.570 0.196 0.000 2.286 272 I HA -0.207 3.958 4.170 -0.008 0.000 0.248 272 I C 2.565 178.840 176.117 0.263 0.000 1.115 272 I CA 0.824 62.271 61.300 0.245 0.000 1.392 272 I CB -0.225 37.868 38.000 0.155 0.000 1.065 272 I HN 0.503 nan 8.210 nan 0.000 0.418 273 R N 0.449 121.082 120.500 0.223 0.000 2.080 273 R HA -0.267 4.068 4.340 -0.008 0.000 0.236 273 R C 2.523 178.994 176.300 0.285 0.000 1.137 273 R CA 2.102 58.356 56.100 0.257 0.000 0.943 273 R CB -0.658 29.780 30.300 0.230 0.000 0.846 273 R HN 0.318 nan 8.270 nan 0.000 0.431 274 Y N 0.773 121.158 120.300 0.141 0.000 2.114 274 Y HA -0.302 4.243 4.550 -0.008 0.000 0.282 274 Y C 2.350 178.259 175.900 0.015 0.000 1.165 274 Y CA 2.135 60.273 58.100 0.064 0.000 1.148 274 Y CB -0.301 38.146 38.460 -0.022 0.000 0.972 274 Y HN 0.256 nan 8.280 nan 0.000 0.504 275 H N -0.550 118.696 119.070 0.293 0.000 2.462 275 H HA -0.081 4.471 4.556 -0.007 0.000 0.292 275 H C 2.359 177.742 175.328 0.091 0.000 1.049 275 H CA 1.754 57.929 56.048 0.212 0.000 1.334 275 H CB -0.075 29.812 29.762 0.208 0.000 1.404 275 H HN 0.435 nan 8.280 nan 0.000 0.544 276 I N -0.317 120.211 120.570 -0.070 0.000 2.252 276 I HA -0.274 3.891 4.170 -0.008 0.000 0.245 276 I C 1.607 177.389 176.117 -0.558 0.000 1.102 276 I CA 1.471 62.398 61.300 -0.621 0.000 1.385 276 I CB -0.143 37.293 38.000 -0.940 0.000 1.064 276 I HN 0.149 nan 8.210 nan 0.000 0.414 277 Y N -0.714 119.497 120.300 -0.149 0.000 2.559 277 Y HA 0.122 4.669 4.550 -0.006 0.000 0.279 277 Y C 1.789 177.562 175.900 -0.211 0.000 1.117 277 Y CA 0.289 58.298 58.100 -0.152 0.000 1.263 277 Y CB 0.056 38.442 38.460 -0.123 0.000 1.230 277 Y HN 0.051 nan 8.280 nan 0.000 0.528 278 N N -1.009 117.540 118.700 -0.253 0.000 2.205 278 N HA 0.052 4.788 4.740 -0.008 0.000 0.201 278 N C 1.061 176.325 175.510 -0.411 0.000 1.128 278 N CA 0.134 52.898 53.050 -0.476 0.000 0.867 278 N CB 0.716 38.600 38.487 -1.004 0.000 0.996 278 N HN -0.008 nan 8.380 nan 0.000 0.503 279 V N 0.070 119.848 119.914 -0.226 0.000 2.326 279 V HA -0.032 4.083 4.120 -0.008 0.000 0.237 279 V C 0.479 176.602 176.094 0.048 0.000 1.044 279 V CA 1.095 63.411 62.300 0.028 0.000 1.035 279 V CB -0.062 31.873 31.823 0.187 0.000 0.675 279 V HN 0.216 nan 8.190 nan 0.000 0.470 280 D N -0.065 120.357 120.400 0.037 0.000 2.499 280 D HA 0.162 4.797 4.640 -0.008 0.000 0.225 280 D C 1.033 177.336 176.300 0.004 0.000 1.124 280 D CA -0.055 53.965 54.000 0.033 0.000 0.938 280 D CB 0.884 41.712 40.800 0.045 0.000 1.014 280 D HN 0.391 nan 8.370 nan 0.000 0.517 281 E N 1.178 121.379 120.200 0.002 0.000 2.204 281 E HA -0.122 4.223 4.350 -0.008 0.000 0.194 281 E C 0.733 177.341 176.600 0.012 0.000 0.989 281 E CA 0.719 57.121 56.400 0.003 0.000 0.824 281 E CB 0.419 30.119 29.700 -0.000 0.000 0.756 281 E HN 0.453 nan 8.360 nan 0.000 0.477 282 D N 0.560 120.967 120.400 0.011 0.000 2.194 282 D HA -0.022 4.613 4.640 -0.008 0.000 0.204 282 D C 0.439 176.742 176.300 0.005 0.000 0.964 282 D CA 0.775 54.782 54.000 0.011 0.000 0.846 282 D CB 0.013 40.821 40.800 0.012 0.000 0.962 282 D HN 0.097 nan 8.370 nan 0.000 0.490 283 N N 1.687 120.387 118.700 -0.000 0.000 2.844 283 N HA 0.175 4.910 4.740 -0.008 0.000 0.268 283 N C -2.608 172.880 175.510 -0.036 0.000 1.574 283 N CA -0.818 52.225 53.050 -0.013 0.000 0.838 283 N CB 2.344 40.828 38.487 -0.004 0.000 1.177 283 N HN 0.102 nan 8.380 nan 0.000 0.495 284 P HA 0.313 nan 4.420 nan 0.000 0.274 284 P C 0.586 177.756 177.300 -0.216 0.000 1.246 284 P CA 0.573 63.586 63.100 -0.146 0.000 0.795 284 P CB 1.051 32.668 31.700 -0.138 0.000 1.006 285 G N -0.421 108.157 108.800 -0.371 0.000 2.603 285 G HA2 -0.050 3.905 3.960 -0.008 0.000 0.686 285 G HA3 -0.050 3.905 3.960 -0.008 0.000 0.686 285 G C -1.294 173.475 174.900 -0.217 0.000 1.286 285 G CA -0.931 43.915 45.100 -0.422 0.000 0.871 285 G HN 0.371 nan 8.290 nan 0.000 0.568 286 F N 0.376 120.236 119.950 -0.150 0.000 2.507 286 F HA 0.501 5.022 4.527 -0.010 0.000 0.327 286 F C 0.913 176.625 175.800 -0.146 0.000 1.068 286 F CA -1.338 56.584 58.000 -0.130 0.000 0.965 286 F CB 1.709 40.648 39.000 -0.101 0.000 1.192 286 F HN 0.334 nan 8.300 nan 0.000 0.476 287 Q N 1.291 121.137 119.800 0.076 0.000 2.432 287 Q HA -0.026 4.309 4.340 -0.008 0.000 0.264 287 Q C 0.835 176.807 176.000 -0.047 0.000 1.035 287 Q CA 0.192 55.980 55.803 -0.024 0.000 0.908 287 Q CB 0.804 29.514 28.738 -0.047 0.000 1.280 287 Q HN 0.681 nan 8.270 nan 0.000 0.455 288 E N 2.179 122.329 120.200 -0.083 0.000 2.058 288 E HA -0.174 4.171 4.350 -0.008 0.000 0.194 288 E C -0.924 175.623 176.600 -0.089 0.000 0.997 288 E CA 1.790 58.132 56.400 -0.097 0.000 0.801 288 E CB -0.708 28.928 29.700 -0.107 0.000 0.746 288 E HN 0.496 nan 8.360 nan 0.000 0.450 289 P HA -0.189 nan 4.420 nan 0.000 0.215 289 P C 1.005 178.216 177.300 -0.148 0.000 1.153 289 P CA 1.481 64.519 63.100 -0.104 0.000 0.853 289 P CB -0.040 31.593 31.700 -0.110 0.000 0.788 290 R N -0.149 120.214 120.500 -0.228 0.000 2.073 290 R HA -0.096 4.239 4.340 -0.008 0.000 0.234 290 R C 2.123 178.146 176.300 -0.462 0.000 1.134 290 R CA 1.675 57.500 56.100 -0.459 0.000 0.952 290 R CB -0.894 29.073 30.300 -0.556 0.000 0.850 290 R HN 0.055 nan 8.270 nan 0.000 0.433 291 A N 1.072 123.819 122.820 -0.122 0.000 1.908 291 A HA -0.156 4.159 4.320 -0.008 0.000 0.218 291 A C 2.157 179.788 177.584 0.079 0.000 1.181 291 A CA 1.486 53.590 52.037 0.112 0.000 0.627 291 A CB -0.507 18.579 19.000 0.144 0.000 0.818 291 A HN 0.381 nan 8.150 nan 0.000 0.445 292 I N -2.069 118.507 120.570 0.010 0.000 2.252 292 I HA -0.207 3.958 4.170 -0.008 0.000 0.245 292 I C 2.322 178.507 176.117 0.112 0.000 1.102 292 I CA 1.420 62.748 61.300 0.046 0.000 1.385 292 I CB -0.300 37.684 38.000 -0.027 0.000 1.064 292 I HN 0.459 nan 8.210 nan 0.000 0.414 293 F N 1.145 121.009 119.950 -0.142 0.000 2.102 293 F HA -0.301 4.219 4.527 -0.013 0.000 0.298 293 F C 2.342 178.122 175.800 -0.034 0.000 1.105 293 F CA 1.739 59.638 58.000 -0.169 0.000 1.239 293 F CB -0.409 38.413 39.000 -0.297 0.000 0.991 293 F HN -0.023 nan 8.300 nan 0.000 0.474 294 Y N 0.672 121.055 120.300 0.139 0.000 2.181 294 Y HA -0.193 4.355 4.550 -0.003 0.000 0.288 294 Y C 2.764 178.681 175.900 0.027 0.000 1.146 294 Y CA 1.462 59.598 58.100 0.060 0.000 1.164 294 Y CB -1.812 36.741 38.460 0.155 0.000 0.982 294 Y HN 0.030 nan 8.280 nan 0.000 0.515 295 T N 0.203 114.917 114.554 0.267 0.000 2.699 295 T HA -0.249 4.096 4.350 -0.008 0.000 0.268 295 T C 2.229 177.042 174.700 0.187 0.000 1.036 295 T CA 1.612 63.884 62.100 0.287 0.000 1.147 295 T CB -0.658 68.430 68.868 0.367 0.000 0.862 295 T HN 0.445 nan 8.240 nan 0.000 0.446 296 A N 1.261 124.098 122.820 0.029 0.000 1.898 296 A HA -0.146 4.170 4.320 -0.008 0.000 0.216 296 A C 2.313 179.712 177.584 -0.308 0.000 1.181 296 A CA 1.392 53.290 52.037 -0.232 0.000 0.620 296 A CB -0.553 18.040 19.000 -0.678 0.000 0.819 296 A HN 0.556 nan 8.150 nan 0.000 0.442 297 Q N -0.604 118.943 119.800 -0.421 0.000 2.079 297 Q HA -0.081 4.254 4.340 -0.008 0.000 0.200 297 Q C 2.062 177.792 176.000 -0.448 0.000 0.974 297 Q CA 1.441 56.873 55.803 -0.619 0.000 0.840 297 Q CB -0.304 28.266 28.738 -0.281 0.000 0.898 297 Q HN 0.738 nan 8.270 nan 0.000 0.430 298 I N 0.065 120.560 120.570 -0.126 0.000 2.179 298 I HA -0.260 3.906 4.170 -0.008 0.000 0.242 298 I C 2.300 178.391 176.117 -0.043 0.000 1.088 298 I CA 0.773 62.060 61.300 -0.022 0.000 1.357 298 I CB -0.319 37.744 38.000 0.105 0.000 1.051 298 I HN 0.015 nan 8.210 nan 0.000 0.409 299 V N 0.397 120.318 119.914 0.011 0.000 2.324 299 V HA -0.329 3.786 4.120 -0.008 0.000 0.250 299 V C 2.552 178.616 176.094 -0.050 0.000 1.060 299 V CA 2.402 64.744 62.300 0.070 0.000 1.042 299 V CB -0.528 31.386 31.823 0.151 0.000 0.650 299 V HN 0.417 nan 8.190 nan 0.000 0.450 300 S N 0.176 115.742 115.700 -0.223 0.000 2.382 300 S HA -0.121 4.345 4.470 -0.008 0.000 0.228 300 S C 2.019 176.548 174.600 -0.118 0.000 1.027 300 S CA 1.283 59.321 58.200 -0.270 0.000 0.991 300 S CB -0.640 62.103 63.200 -0.763 0.000 0.823 300 S HN 0.710 nan 8.310 nan 0.000 0.469 301 G N 1.731 110.442 108.800 -0.148 0.000 2.402 301 G HA2 -0.092 3.863 3.960 -0.008 0.000 0.216 301 G HA3 -0.092 3.863 3.960 -0.008 0.000 0.216 301 G C 1.344 176.171 174.900 -0.122 0.000 1.162 301 G CA 0.462 45.553 45.100 -0.015 0.000 0.777 301 G HN 0.408 nan 8.290 nan 0.000 0.539 302 L N 0.144 121.248 121.223 -0.198 0.000 2.012 302 L HA -0.120 4.215 4.340 -0.008 0.000 0.210 302 L C 2.789 179.278 176.870 -0.636 0.000 1.073 302 L CA 1.740 56.297 54.840 -0.471 0.000 0.748 302 L CB -0.464 41.357 42.059 -0.397 0.000 0.891 302 L HN 0.363 nan 8.230 nan 0.000 0.431 303 E N -0.348 119.727 120.200 -0.209 0.000 2.097 303 E HA -0.333 4.012 4.350 -0.008 0.000 0.196 303 E C 2.105 178.649 176.600 -0.092 0.000 1.000 303 E CA 1.810 58.189 56.400 -0.034 0.000 0.804 303 E CB -0.078 29.695 29.700 0.122 0.000 0.740 303 E HN 0.516 nan 8.360 nan 0.000 0.454 304 H N 0.033 119.029 119.070 -0.123 0.000 2.353 304 H HA -0.080 4.471 4.556 -0.008 0.000 0.300 304 H C 2.136 177.369 175.328 -0.158 0.000 1.090 304 H CA 1.901 57.899 56.048 -0.082 0.000 1.327 304 H CB -0.049 29.701 29.762 -0.020 0.000 1.383 304 H HN 0.136 nan 8.280 nan 0.000 0.508 305 L N -0.837 120.301 121.223 -0.143 0.000 2.046 305 L HA -0.199 4.136 4.340 -0.008 0.000 0.208 305 L C 2.276 178.990 176.870 -0.260 0.000 1.077 305 L CA 1.708 56.440 54.840 -0.180 0.000 0.747 305 L CB -0.573 41.366 42.059 -0.200 0.000 0.896 305 L HN 0.520 nan 8.230 nan 0.000 0.432 306 H N -0.852 117.876 119.070 -0.571 0.000 2.423 306 H HA -0.128 4.423 4.556 -0.008 0.000 0.297 306 H C 2.235 176.884 175.328 -1.131 0.000 1.075 306 H CA 0.661 55.903 56.048 -1.343 0.000 1.342 306 H CB 0.156 28.709 29.762 -2.015 0.000 1.395 306 H HN 0.418 nan 8.280 nan 0.000 0.530 307 Q N 0.559 120.086 119.800 -0.456 0.000 2.291 307 Q HA -0.048 4.287 4.340 -0.008 0.000 0.205 307 Q C 1.263 177.193 176.000 -0.117 0.000 0.970 307 Q CA 0.752 56.487 55.803 -0.113 0.000 0.876 307 Q CB 0.236 28.951 28.738 -0.038 0.000 0.935 307 Q HN 0.428 nan 8.270 nan 0.000 0.455 308 R N 0.505 120.904 120.500 -0.170 0.000 2.515 308 R HA 0.104 4.440 4.340 -0.008 0.000 0.294 308 R C -0.259 176.045 176.300 0.006 0.000 1.021 308 R CA -0.175 55.876 56.100 -0.082 0.000 1.081 308 R CB 0.189 30.424 30.300 -0.110 0.000 1.263 308 R HN 0.161 nan 8.270 nan 0.000 0.557 309 N N 0.870 119.599 118.700 0.048 0.000 2.735 309 N HA -0.172 4.564 4.740 -0.008 0.000 0.248 309 N C -1.102 174.570 175.510 0.270 0.000 1.083 309 N CA 0.863 54.069 53.050 0.260 0.000 0.703 309 N CB -1.060 37.539 38.487 0.187 0.000 1.005 309 N HN 0.322 nan 8.380 nan 0.000 0.550 310 I N 0.606 121.317 120.570 0.237 0.000 2.404 310 I HA 0.408 4.573 4.170 -0.008 0.000 0.293 310 I C 0.432 176.775 176.117 0.377 0.000 0.992 310 I CA -0.760 60.675 61.300 0.225 0.000 1.149 310 I CB 1.445 39.510 38.000 0.107 0.000 1.315 310 I HN -0.058 nan 8.210 nan 0.000 0.446 311 I N 5.636 126.411 120.570 0.340 0.000 2.336 311 I HA 0.121 4.286 4.170 -0.008 0.000 0.292 311 I C 0.375 176.692 176.117 0.334 0.000 0.991 311 I CA -0.550 60.979 61.300 0.382 0.000 1.227 311 I CB 1.378 39.551 38.000 0.288 0.000 1.366 311 I HN 0.627 nan 8.210 nan 0.000 0.466 312 Y N 6.864 127.269 120.300 0.176 0.000 2.153 312 Y HA -0.087 4.458 4.550 -0.009 0.000 0.289 312 Y C 1.656 177.599 175.900 0.072 0.000 1.127 312 Y CA 1.132 59.286 58.100 0.090 0.000 1.131 312 Y CB 0.026 38.515 38.460 0.048 0.000 0.995 312 Y HN 0.596 nan 8.280 nan 0.000 0.505 313 R N -0.386 120.142 120.500 0.047 0.000 3.994 313 R HA -0.233 4.102 4.340 -0.008 0.000 0.403 313 R C -0.431 175.704 176.300 -0.275 0.000 1.126 313 R CA 1.167 57.214 56.100 -0.089 0.000 1.143 313 R CB -2.010 28.292 30.300 0.003 0.000 1.695 313 R HN 0.373 nan 8.270 nan 0.000 0.555 314 D N 0.056 120.051 120.400 -0.675 0.000 2.914 314 D HA 0.134 4.769 4.640 -0.008 0.000 0.349 314 D C -0.956 174.773 176.300 -0.952 0.000 1.540 314 D CA -0.420 53.181 54.000 -0.664 0.000 0.778 314 D CB 0.387 40.952 40.800 -0.391 0.000 1.213 314 D HN 0.044 nan 8.370 nan 0.000 0.451 315 L N 2.268 122.937 121.223 -0.924 0.000 2.462 315 L HA 0.329 4.664 4.340 -0.008 0.000 0.272 315 L C -0.174 176.461 176.870 -0.392 0.000 1.166 315 L CA 0.809 55.390 54.840 -0.431 0.000 0.880 315 L CB -0.186 41.838 42.059 -0.058 0.000 1.142 315 L HN 0.184 nan 8.230 nan 0.000 0.473 316 K N 3.044 123.227 120.400 -0.363 0.000 2.625 316 K HA 0.453 4.769 4.320 -0.008 0.000 0.284 316 K C -2.793 173.714 176.600 -0.156 0.000 0.984 316 K CA -1.514 54.431 56.287 -0.569 0.000 0.865 316 K CB 0.635 32.425 32.500 -1.183 0.000 1.468 316 K HN 0.038 nan 8.250 nan 0.000 0.407 317 P HA -0.245 nan 4.420 nan 0.000 0.216 317 P C 0.894 178.237 177.300 0.072 0.000 1.154 317 P CA 1.478 64.632 63.100 0.090 0.000 0.865 317 P CB 0.203 32.000 31.700 0.160 0.000 0.789 318 E N -1.173 119.050 120.200 0.038 0.000 2.268 318 E HA -0.149 4.197 4.350 -0.008 0.000 0.195 318 E C 1.022 177.647 176.600 0.041 0.000 0.995 318 E CA 0.644 57.075 56.400 0.053 0.000 0.836 318 E CB -0.263 29.457 29.700 0.034 0.000 0.763 318 E HN 0.151 nan 8.360 nan 0.000 0.491 319 N N -0.336 118.377 118.700 0.021 0.000 2.336 319 N HA 0.019 4.755 4.740 -0.008 0.000 0.189 319 N C -0.850 174.717 175.510 0.094 0.000 1.113 319 N CA 0.189 53.279 53.050 0.066 0.000 0.858 319 N CB 1.010 39.551 38.487 0.090 0.000 0.970 319 N HN -0.086 nan 8.380 nan 0.000 0.471 320 V N 2.397 122.356 119.914 0.074 0.000 2.350 320 V HA 0.343 4.458 4.120 -0.008 0.000 0.276 320 V C 0.151 176.264 176.094 0.031 0.000 1.028 320 V CA -0.612 61.721 62.300 0.056 0.000 0.860 320 V CB 1.342 33.194 31.823 0.049 0.000 0.990 320 V HN 0.007 nan 8.190 nan 0.000 0.453 321 L N 5.369 126.608 121.223 0.026 0.000 2.334 321 L HA 0.591 4.926 4.340 -0.008 0.000 0.275 321 L C -0.672 176.199 176.870 0.001 0.000 1.036 321 L CA -0.805 54.054 54.840 0.030 0.000 0.807 321 L CB 1.767 43.851 42.059 0.041 0.000 1.231 321 L HN 0.376 nan 8.230 nan 0.000 0.438 322 L N 1.797 123.025 121.223 0.009 0.000 2.325 322 L HA 0.314 4.649 4.340 -0.008 0.000 0.279 322 L C 0.008 176.902 176.870 0.039 0.000 1.054 322 L CA -0.186 54.650 54.840 -0.006 0.000 0.804 322 L CB 1.295 43.323 42.059 -0.051 0.000 1.200 322 L HN 0.585 nan 8.230 nan 0.000 0.436 323 D N 0.372 120.798 120.400 0.042 0.000 2.466 323 D HA 0.079 4.714 4.640 -0.008 0.000 0.262 323 D C 0.746 177.073 176.300 0.046 0.000 1.177 323 D CA -0.395 53.633 54.000 0.046 0.000 1.035 323 D CB 0.394 41.215 40.800 0.034 0.000 1.105 323 D HN 0.630 nan 8.370 nan 0.000 0.551 324 D N -0.458 119.969 120.400 0.044 0.000 2.190 324 D HA -0.238 4.398 4.640 -0.008 0.000 0.200 324 D C 0.499 176.802 176.300 0.005 0.000 0.992 324 D CA 1.105 55.128 54.000 0.037 0.000 0.854 324 D CB -0.236 40.585 40.800 0.034 0.000 0.936 324 D HN 0.361 nan 8.370 nan 0.000 0.462 325 D N -0.060 120.343 120.400 0.005 0.000 2.323 325 D HA 0.115 4.750 4.640 -0.008 0.000 0.209 325 D C 1.721 178.013 176.300 -0.013 0.000 0.973 325 D CA 1.369 55.362 54.000 -0.011 0.000 0.874 325 D CB 0.449 41.253 40.800 0.006 0.000 0.930 325 D HN 0.543 nan 8.370 nan 0.000 0.521 326 G N 0.684 109.498 108.800 0.024 0.000 2.163 326 G HA2 -0.218 3.737 3.960 -0.008 0.000 0.213 326 G HA3 -0.218 3.737 3.960 -0.008 0.000 0.213 326 G C 0.153 175.183 174.900 0.216 0.000 0.991 326 G CA -0.467 44.679 45.100 0.077 0.000 0.653 326 G HN 0.159 nan 8.290 nan 0.000 0.518 327 N N 0.280 119.098 118.700 0.197 0.000 2.524 327 N HA 0.563 5.298 4.740 -0.008 0.000 0.283 327 N C 0.502 176.120 175.510 0.179 0.000 1.142 327 N CA 0.485 53.705 53.050 0.282 0.000 0.984 327 N CB 2.253 40.856 38.487 0.193 0.000 1.155 327 N HN 0.812 nan 8.380 nan 0.000 0.467 328 V N -0.348 119.684 119.914 0.197 0.000 2.881 328 V HA 0.706 4.822 4.120 -0.008 0.000 0.316 328 V C -0.117 176.057 176.094 0.133 0.000 1.070 328 V CA -0.840 61.511 62.300 0.084 0.000 0.976 328 V CB 1.892 33.686 31.823 -0.048 0.000 1.038 328 V HN 0.547 nan 8.190 nan 0.000 0.446 329 R N 2.416 122.960 120.500 0.073 0.000 2.725 329 R HA 0.634 4.969 4.340 -0.008 0.000 0.277 329 R C -1.038 175.284 176.300 0.037 0.000 0.987 329 R CA -0.914 55.228 56.100 0.070 0.000 0.901 329 R CB 2.567 32.883 30.300 0.026 0.000 1.207 329 R HN 0.754 nan 8.270 nan 0.000 0.463 330 I N 1.565 122.140 120.570 0.008 0.000 2.696 330 I HA 0.064 4.229 4.170 -0.008 0.000 0.284 330 I C 0.596 176.681 176.117 -0.054 0.000 1.129 330 I CA 0.790 62.064 61.300 -0.042 0.000 1.410 330 I CB 0.959 38.827 38.000 -0.221 0.000 1.399 330 I HN 0.743 nan 8.210 nan 0.000 0.579 331 S N 2.960 118.665 115.700 0.008 0.000 2.643 331 S HA 0.438 4.903 4.470 -0.008 0.000 0.270 331 S C -0.916 173.757 174.600 0.122 0.000 1.166 331 S CA -0.855 57.363 58.200 0.029 0.000 0.815 331 S CB 1.883 65.109 63.200 0.043 0.000 1.139 331 S HN 0.758 nan 8.310 nan 0.000 0.472 332 D N 0.040 120.504 120.400 0.105 0.000 3.585 332 D HA -0.094 4.541 4.640 -0.008 0.000 0.251 332 D C -0.527 175.907 176.300 0.224 0.000 1.065 332 D CA 0.188 54.273 54.000 0.142 0.000 1.048 332 D CB -0.964 39.910 40.800 0.123 0.000 0.952 332 D HN 0.522 nan 8.370 nan 0.000 0.421 333 L N 1.324 122.644 121.223 0.161 0.000 2.818 333 L HA 0.309 4.644 4.340 -0.008 0.000 0.243 333 L C 2.335 179.299 176.870 0.157 0.000 1.185 333 L CA 0.975 55.921 54.840 0.177 0.000 0.988 333 L CB -0.005 42.093 42.059 0.065 0.000 1.292 333 L HN 0.441 nan 8.230 nan 0.000 0.519 334 G N -0.384 108.503 108.800 0.145 0.000 2.509 334 G HA2 -0.118 3.838 3.960 -0.008 0.000 0.218 334 G HA3 -0.118 3.838 3.960 -0.008 0.000 0.218 334 G C 1.374 176.347 174.900 0.121 0.000 1.124 334 G CA 0.205 45.384 45.100 0.132 0.000 0.776 334 G HN 0.350 nan 8.290 nan 0.000 0.547 335 L N 0.388 121.681 121.223 0.117 0.000 2.607 335 L HA 0.367 4.703 4.340 -0.008 0.000 0.228 335 L C 1.664 178.604 176.870 0.116 0.000 1.123 335 L CA -0.481 54.415 54.840 0.093 0.000 0.890 335 L CB 0.066 42.149 42.059 0.041 0.000 1.103 335 L HN 0.188 nan 8.230 nan 0.000 0.468 336 A N 0.481 123.394 122.820 0.155 0.000 2.406 336 A HA 0.376 4.691 4.320 -0.008 0.000 0.243 336 A C -0.374 177.291 177.584 0.135 0.000 1.082 336 A CA 0.069 52.211 52.037 0.176 0.000 0.786 336 A CB 0.932 20.042 19.000 0.184 0.000 1.029 336 A HN -0.019 nan 8.150 nan 0.000 0.495 337 V N 1.091 121.089 119.914 0.140 0.000 2.638 337 V HA 0.489 4.605 4.120 -0.008 0.000 0.306 337 V C -0.457 175.698 176.094 0.102 0.000 1.052 337 V CA -0.565 61.798 62.300 0.105 0.000 0.885 337 V CB 1.626 33.502 31.823 0.089 0.000 0.999 337 V HN 1.025 nan 8.190 nan 0.000 0.424 338 E N 5.909 126.154 120.200 0.076 0.000 2.089 338 E HA 0.439 4.784 4.350 -0.008 0.000 0.284 338 E C -0.657 175.974 176.600 0.051 0.000 1.023 338 E CA -0.536 55.907 56.400 0.072 0.000 0.819 338 E CB 0.977 30.710 29.700 0.055 0.000 1.076 338 E HN 0.757 nan 8.360 nan 0.000 0.396 339 L N 4.406 125.663 121.223 0.056 0.000 2.490 339 L HA 0.094 4.429 4.340 -0.008 0.000 0.274 339 L C 0.696 177.580 176.870 0.023 0.000 1.201 339 L CA 0.141 54.990 54.840 0.015 0.000 0.869 339 L CB 0.281 42.339 42.059 -0.002 0.000 1.123 339 L HN 0.499 nan 8.230 nan 0.000 0.484 340 K N 1.844 122.247 120.400 0.005 0.000 2.230 340 K HA 0.339 4.654 4.320 -0.008 0.000 0.253 340 K C 0.162 176.771 176.600 0.015 0.000 1.008 340 K CA -0.510 55.782 56.287 0.009 0.000 0.910 340 K CB 0.386 32.886 32.500 -0.000 0.000 0.994 340 K HN 0.690 nan 8.250 nan 0.000 0.495 341 A N 1.011 123.841 122.820 0.017 0.000 2.524 341 A HA 0.348 4.664 4.320 -0.008 0.000 0.250 341 A C 1.217 178.810 177.584 0.015 0.000 1.078 341 A CA 0.642 52.692 52.037 0.021 0.000 0.761 341 A CB -1.063 17.948 19.000 0.019 0.000 1.012 341 A HN 0.888 nan 8.150 nan 0.000 0.500 342 G N 1.057 109.869 108.800 0.020 0.000 2.168 342 G HA2 -0.281 3.674 3.960 -0.008 0.000 0.263 342 G HA3 -0.281 3.674 3.960 -0.008 0.000 0.263 342 G C 0.333 175.233 174.900 0.001 0.000 0.977 342 G CA 0.713 45.821 45.100 0.013 0.000 0.659 342 G HN 1.164 nan 8.290 nan 0.000 0.533 343 Q N 0.191 119.988 119.800 -0.005 0.000 2.296 343 Q HA 0.580 4.915 4.340 -0.008 0.000 0.257 343 Q C 1.261 177.232 176.000 -0.048 0.000 0.942 343 Q CA 0.418 56.202 55.803 -0.032 0.000 0.939 343 Q CB 0.996 29.710 28.738 -0.039 0.000 1.198 343 Q HN 0.231 nan 8.270 nan 0.000 0.429 344 T N 2.754 117.266 114.554 -0.070 0.000 3.037 344 T HA 0.225 4.570 4.350 -0.008 0.000 0.252 344 T C -0.160 174.424 174.700 -0.193 0.000 1.073 344 T CA 0.570 62.612 62.100 -0.097 0.000 1.091 344 T CB 0.337 69.172 68.868 -0.054 0.000 0.935 344 T HN 0.507 nan 8.240 nan 0.000 0.488 345 K N 0.160 120.447 120.400 -0.189 0.000 2.536 345 K HA 0.541 4.856 4.320 -0.008 0.000 0.269 345 K C -1.276 175.155 176.600 -0.281 0.000 0.965 345 K CA -0.751 55.384 56.287 -0.254 0.000 0.860 345 K CB 2.242 34.626 32.500 -0.193 0.000 1.423 345 K HN -0.043 nan 8.250 nan 0.000 0.438 346 T N 0.178 114.463 114.554 -0.449 0.000 2.831 346 T HA 0.529 4.874 4.350 -0.008 0.000 0.287 346 T C -1.596 172.707 174.700 -0.662 0.000 1.070 346 T CA -0.637 61.188 62.100 -0.459 0.000 1.010 346 T CB 1.429 70.070 68.868 -0.379 0.000 1.264 346 T HN 0.423 nan 8.240 nan 0.000 0.532 347 K N -0.104 120.054 120.400 -0.403 0.000 2.435 347 K HA 0.702 5.017 4.320 -0.008 0.000 0.251 347 K C -1.011 175.578 176.600 -0.017 0.000 0.954 347 K CA -0.856 55.300 56.287 -0.217 0.000 0.820 347 K CB 2.178 34.631 32.500 -0.079 0.000 1.292 347 K HN 1.017 nan 8.250 nan 0.000 0.436 348 G N 1.370 110.285 108.800 0.192 0.000 2.326 348 G HA2 -0.048 3.908 3.960 -0.008 0.000 0.299 348 G HA3 -0.048 3.908 3.960 -0.008 0.000 0.299 348 G C -2.274 172.790 174.900 0.273 0.000 1.643 348 G CA -1.018 44.206 45.100 0.207 0.000 0.916 348 G HN 0.468 nan 8.290 nan 0.000 0.700 349 Y N 1.794 122.148 120.300 0.090 0.000 2.486 349 Y HA 0.580 5.126 4.550 -0.007 0.000 0.348 349 Y C 0.428 176.351 175.900 0.038 0.000 1.000 349 Y CA 0.930 59.056 58.100 0.044 0.000 1.253 349 Y CB 0.617 39.088 38.460 0.019 0.000 1.140 349 Y HN 1.244 nan 8.280 nan 0.000 0.526 350 A N 4.003 126.678 122.820 -0.241 0.000 2.589 350 A HA 0.836 5.152 4.320 -0.008 0.000 0.296 350 A C -0.326 177.104 177.584 -0.255 0.000 1.062 350 A CA -0.033 51.913 52.037 -0.151 0.000 0.686 350 A CB 1.025 20.021 19.000 -0.006 0.000 1.282 350 A HN 1.511 nan 8.150 nan 0.000 0.404 351 G N -0.518 108.179 108.800 -0.173 0.000 2.315 351 G HA2 0.495 4.450 3.960 -0.008 0.000 0.296 351 G HA3 0.495 4.450 3.960 -0.008 0.000 0.296 351 G C -0.703 174.142 174.900 -0.092 0.000 1.289 351 G CA -0.028 44.983 45.100 -0.149 0.000 0.996 351 G HN 1.318 nan 8.290 nan 0.000 0.487 352 T N 2.959 117.492 114.554 -0.036 0.000 2.779 352 T HA 0.645 4.990 4.350 -0.008 0.000 0.280 352 T C -2.592 172.198 174.700 0.151 0.000 0.987 352 T CA -0.720 61.414 62.100 0.056 0.000 0.966 352 T CB 1.890 70.778 68.868 0.034 0.000 0.933 352 T HN 0.402 nan 8.240 nan 0.000 0.442 353 P HA 0.222 nan 4.420 nan 0.000 0.262 353 P C 1.066 178.459 177.300 0.155 0.000 1.182 353 P CA 0.944 64.108 63.100 0.105 0.000 0.761 353 P CB 0.339 32.092 31.700 0.089 0.000 0.795 354 G N 1.711 110.562 108.800 0.086 0.000 2.234 354 G HA2 -0.310 3.645 3.960 -0.008 0.000 0.235 354 G HA3 -0.310 3.645 3.960 -0.008 0.000 0.235 354 G C 0.574 175.411 174.900 -0.105 0.000 0.997 354 G CA -0.187 44.935 45.100 0.037 0.000 0.623 354 G HN 0.461 nan 8.290 nan 0.000 0.514 355 F N 0.792 120.832 119.950 0.150 0.000 2.724 355 F HA 0.555 5.077 4.527 -0.009 0.000 0.306 355 F C 1.577 177.474 175.800 0.162 0.000 1.100 355 F CA -0.145 57.959 58.000 0.174 0.000 1.255 355 F CB 0.356 39.395 39.000 0.065 0.000 1.072 355 F HN 0.043 nan 8.300 nan 0.000 0.589 356 M N 1.022 120.705 119.600 0.138 0.000 2.185 356 M HA 0.413 4.888 4.480 -0.008 0.000 0.357 356 M C 0.376 176.494 176.300 -0.305 0.000 1.260 356 M CA -0.442 54.799 55.300 -0.097 0.000 1.124 356 M CB 0.926 33.392 32.600 -0.223 0.000 1.600 356 M HN 0.054 nan 8.290 nan 0.000 0.467 357 A N 5.031 127.559 122.820 -0.487 0.000 2.332 357 A HA 0.380 4.695 4.320 -0.008 0.000 0.258 357 A C -1.816 175.372 177.584 -0.660 0.000 1.087 357 A CA -1.376 50.072 52.037 -0.982 0.000 0.802 357 A CB -0.240 18.382 19.000 -0.630 0.000 1.042 357 A HN 0.617 nan 8.150 nan 0.000 0.489 358 P HA -0.249 nan 4.420 nan 0.000 0.216 358 P C 1.370 178.539 177.300 -0.219 0.000 1.157 358 P CA 1.880 64.771 63.100 -0.348 0.000 0.880 358 P CB 0.049 31.588 31.700 -0.268 0.000 0.791 359 E N -0.027 120.057 120.200 -0.193 0.000 2.153 359 E HA -0.180 4.165 4.350 -0.008 0.000 0.194 359 E C 2.094 178.647 176.600 -0.079 0.000 0.988 359 E CA 1.071 57.417 56.400 -0.089 0.000 0.811 359 E CB -1.362 28.322 29.700 -0.027 0.000 0.746 359 E HN 0.281 nan 8.360 nan 0.000 0.466 360 L N 0.483 121.566 121.223 -0.233 0.000 2.044 360 L HA -0.073 4.262 4.340 -0.008 0.000 0.205 360 L C 2.709 179.528 176.870 -0.086 0.000 1.075 360 L CA 0.840 55.515 54.840 -0.274 0.000 0.747 360 L CB -0.144 41.579 42.059 -0.560 0.000 0.903 360 L HN 0.070 nan 8.230 nan 0.000 0.435 361 L N -0.537 120.619 121.223 -0.112 0.000 2.131 361 L HA -0.236 4.099 4.340 -0.008 0.000 0.210 361 L C 2.278 179.167 176.870 0.031 0.000 1.092 361 L CA 1.077 55.925 54.840 0.013 0.000 0.759 361 L CB -0.414 41.602 42.059 -0.071 0.000 0.903 361 L HN 0.337 nan 8.230 nan 0.000 0.435 362 L N -0.428 120.787 121.223 -0.014 0.000 2.554 362 L HA 0.086 4.421 4.340 -0.008 0.000 0.226 362 L C 1.438 178.323 176.870 0.025 0.000 1.137 362 L CA 0.538 55.375 54.840 -0.005 0.000 0.863 362 L CB -0.367 41.678 42.059 -0.024 0.000 0.985 362 L HN 0.483 nan 8.230 nan 0.000 0.451 363 G N 0.256 109.095 108.800 0.064 0.000 2.147 363 G HA2 -0.251 3.704 3.960 -0.008 0.000 0.244 363 G HA3 -0.251 3.704 3.960 -0.008 0.000 0.244 363 G C 0.114 175.065 174.900 0.085 0.000 1.005 363 G CA 0.010 45.164 45.100 0.091 0.000 0.713 363 G HN 0.442 nan 8.290 nan 0.000 0.515 364 E N 0.073 120.327 120.200 0.089 0.000 2.351 364 E HA 0.389 4.734 4.350 -0.008 0.000 0.255 364 E C 0.399 177.066 176.600 0.112 0.000 1.188 364 E CA -0.704 55.741 56.400 0.075 0.000 0.940 364 E CB 0.830 30.562 29.700 0.052 0.000 1.094 364 E HN 0.445 nan 8.360 nan 0.000 0.474 365 E N 0.551 120.768 120.200 0.029 0.000 2.413 365 E HA 0.069 4.415 4.350 -0.008 0.000 0.263 365 E C -1.028 175.584 176.600 0.020 0.000 1.015 365 E CA 0.535 56.900 56.400 -0.060 0.000 0.916 365 E CB 0.375 30.025 29.700 -0.083 0.000 0.947 365 E HN 0.309 nan 8.360 nan 0.000 0.440 366 Y N -0.210 120.050 120.300 -0.067 0.000 2.625 366 Y HA 0.424 4.970 4.550 -0.008 0.000 0.338 366 Y C -0.788 175.028 175.900 -0.140 0.000 1.123 366 Y CA -1.171 56.879 58.100 -0.084 0.000 1.046 366 Y CB 1.022 39.441 38.460 -0.069 0.000 1.299 366 Y HN 0.455 nan 8.280 nan 0.000 0.464 367 D N 0.537 120.948 120.400 0.018 0.000 2.855 367 D HA 0.225 4.860 4.640 -0.008 0.000 0.231 367 D C 0.559 176.774 176.300 -0.143 0.000 1.225 367 D CA -0.687 53.149 54.000 -0.274 0.000 1.074 367 D CB -0.244 40.286 40.800 -0.449 0.000 1.235 367 D HN 0.506 nan 8.370 nan 0.000 0.635 368 F N 0.785 120.713 119.950 -0.037 0.000 2.307 368 F HA -0.120 4.402 4.527 -0.008 0.000 0.301 368 F C 2.662 178.468 175.800 0.011 0.000 1.076 368 F CA 0.966 58.812 58.000 -0.256 0.000 1.383 368 F CB -0.408 38.163 39.000 -0.716 0.000 1.055 368 F HN 0.240 nan 8.300 nan 0.000 0.526 369 S N 0.699 116.569 115.700 0.283 0.000 2.402 369 S HA -0.222 4.243 4.470 -0.008 0.000 0.233 369 S C 2.127 176.899 174.600 0.286 0.000 1.030 369 S CA 1.347 59.757 58.200 0.348 0.000 1.003 369 S CB -1.456 61.871 63.200 0.213 0.000 0.813 369 S HN 0.389 nan 8.310 nan 0.000 0.477 370 V N 0.319 120.324 119.914 0.153 0.000 2.490 370 V HA -0.149 3.966 4.120 -0.008 0.000 0.250 370 V C 1.930 178.107 176.094 0.139 0.000 1.061 370 V CA 2.148 64.484 62.300 0.059 0.000 1.064 370 V CB -1.034 30.691 31.823 -0.164 0.000 0.670 370 V HN 0.249 nan 8.190 nan 0.000 0.461 371 D N -0.396 120.076 120.400 0.120 0.000 2.183 371 D HA -0.086 4.549 4.640 -0.008 0.000 0.203 371 D C 2.004 178.279 176.300 -0.041 0.000 0.969 371 D CA 1.647 55.675 54.000 0.047 0.000 0.842 371 D CB -0.311 40.543 40.800 0.091 0.000 0.957 371 D HN 0.663 nan 8.370 nan 0.000 0.484 372 Y N -0.485 119.980 120.300 0.275 0.000 2.314 372 Y HA -0.072 4.473 4.550 -0.008 0.000 0.293 372 Y C 2.136 178.146 175.900 0.184 0.000 1.129 372 Y CA 0.277 58.508 58.100 0.219 0.000 1.201 372 Y CB -0.340 38.234 38.460 0.190 0.000 0.999 372 Y HN -0.098 nan 8.280 nan 0.000 0.541 373 F N 0.610 120.675 119.950 0.192 0.000 2.069 373 F HA -0.271 4.253 4.527 -0.006 0.000 0.298 373 F C 2.393 178.273 175.800 0.134 0.000 1.113 373 F CA 1.487 59.564 58.000 0.128 0.000 1.214 373 F CB -0.550 38.500 39.000 0.084 0.000 0.978 373 F HN -0.014 nan 8.300 nan 0.000 0.474 374 A N -0.021 123.000 122.820 0.334 0.000 1.978 374 A HA -0.185 4.130 4.320 -0.008 0.000 0.220 374 A C 2.069 179.802 177.584 0.248 0.000 1.170 374 A CA 1.693 53.923 52.037 0.321 0.000 0.636 374 A CB -1.190 17.972 19.000 0.270 0.000 0.810 374 A HN 0.512 nan 8.150 nan 0.000 0.448 375 L N 0.049 121.383 121.223 0.185 0.000 2.046 375 L HA -0.014 4.321 4.340 -0.008 0.000 0.208 375 L C 2.386 179.367 176.870 0.185 0.000 1.077 375 L CA 2.270 57.235 54.840 0.208 0.000 0.747 375 L CB -1.032 41.171 42.059 0.239 0.000 0.896 375 L HN 0.290 nan 8.230 nan 0.000 0.432 376 G N -1.094 107.742 108.800 0.060 0.000 2.418 376 G HA2 -0.204 3.751 3.960 -0.008 0.000 0.217 376 G HA3 -0.204 3.751 3.960 -0.008 0.000 0.217 376 G C 1.519 176.419 174.900 0.001 0.000 1.158 376 G CA 1.089 46.183 45.100 -0.010 0.000 0.771 376 G HN 0.335 nan 8.290 nan 0.000 0.545 377 V N 0.945 120.787 119.914 -0.119 0.000 2.343 377 V HA -0.184 3.931 4.120 -0.008 0.000 0.247 377 V C 3.128 179.295 176.094 0.122 0.000 1.051 377 V CA 2.328 64.533 62.300 -0.159 0.000 1.036 377 V CB -0.943 30.656 31.823 -0.374 0.000 0.654 377 V HN 0.381 nan 8.190 nan 0.000 0.451 378 T N 0.424 115.149 114.554 0.286 0.000 2.737 378 T HA -0.147 4.198 4.350 -0.008 0.000 0.265 378 T C 1.896 176.762 174.700 0.277 0.000 1.038 378 T CA 1.690 63.999 62.100 0.348 0.000 1.144 378 T CB -0.320 68.741 68.868 0.322 0.000 0.866 378 T HN 0.295 nan 8.240 nan 0.000 0.434 379 L N 0.382 121.775 121.223 0.284 0.000 2.017 379 L HA -0.026 4.309 4.340 -0.008 0.000 0.208 379 L C 2.087 179.126 176.870 0.281 0.000 1.073 379 L CA 1.693 56.705 54.840 0.285 0.000 0.745 379 L CB -1.043 41.224 42.059 0.346 0.000 0.894 379 L HN 0.301 nan 8.230 nan 0.000 0.432 380 Y N 0.582 121.014 120.300 0.219 0.000 2.069 380 Y HA -0.365 4.182 4.550 -0.006 0.000 0.278 380 Y C 2.749 178.754 175.900 0.176 0.000 1.175 380 Y CA 2.493 60.767 58.100 0.290 0.000 1.134 380 Y CB -0.135 38.354 38.460 0.049 0.000 0.965 380 Y HN 0.473 nan 8.280 nan 0.000 0.498 381 E N -0.406 119.969 120.200 0.291 0.000 2.106 381 E HA -0.232 4.113 4.350 -0.008 0.000 0.192 381 E C 2.194 178.752 176.600 -0.070 0.000 0.984 381 E CA 1.390 57.880 56.400 0.150 0.000 0.806 381 E CB -0.205 29.617 29.700 0.204 0.000 0.750 381 E HN 0.541 nan 8.360 nan 0.000 0.458 382 M N 0.072 119.629 119.600 -0.071 0.000 2.108 382 M HA -0.198 4.277 4.480 -0.008 0.000 0.261 382 M C 2.132 178.235 176.300 -0.329 0.000 1.066 382 M CA 1.446 56.584 55.300 -0.270 0.000 1.107 382 M CB -0.188 32.435 32.600 0.039 0.000 1.356 382 M HN 0.245 nan 8.290 nan 0.000 0.406 383 I N -0.824 119.591 120.570 -0.259 0.000 2.400 383 I HA -0.097 4.068 4.170 -0.008 0.000 0.248 383 I C 2.472 178.355 176.117 -0.390 0.000 1.109 383 I CA 0.872 61.922 61.300 -0.417 0.000 1.425 383 I CB -0.317 37.185 38.000 -0.830 0.000 1.094 383 I HN 0.168 nan 8.210 nan 0.000 0.425 384 A N 0.426 123.072 122.820 -0.291 0.000 2.081 384 A HA 0.418 4.733 4.320 -0.008 0.000 0.214 384 A C 1.676 179.201 177.584 -0.099 0.000 1.158 384 A CA 0.664 52.608 52.037 -0.154 0.000 0.724 384 A CB -0.250 18.676 19.000 -0.124 0.000 0.826 384 A HN 0.503 nan 8.150 nan 0.000 0.463 385 A N -1.028 121.698 122.820 -0.156 0.000 2.872 385 A HA -0.160 4.156 4.320 -0.008 0.000 0.273 385 A C 0.419 178.085 177.584 0.136 0.000 1.442 385 A CA 1.569 53.505 52.037 -0.168 0.000 0.801 385 A CB -2.156 16.721 19.000 -0.204 0.000 1.031 385 A HN 1.483 nan 8.150 nan 0.000 0.582 386 R N -2.375 118.223 120.500 0.164 0.000 2.728 386 R HA 0.633 4.968 4.340 -0.008 0.000 0.274 386 R C 0.206 176.634 176.300 0.213 0.000 1.032 386 R CA -0.499 55.723 56.100 0.203 0.000 0.866 386 R CB 0.095 30.483 30.300 0.147 0.000 1.263 386 R HN 1.161 nan 8.270 nan 0.000 0.475 387 G N 0.297 109.155 108.800 0.096 0.000 2.537 387 G HA2 0.420 4.375 3.960 -0.008 0.000 0.273 387 G HA3 0.420 4.375 3.960 -0.008 0.000 0.273 387 G C -1.769 172.933 174.900 -0.330 0.000 1.189 387 G CA -1.646 43.403 45.100 -0.085 0.000 0.881 387 G HN 0.479 nan 8.290 nan 0.000 0.535 388 P HA 0.012 nan 4.420 nan 0.000 0.229 388 P C 0.703 177.382 177.300 -1.035 0.000 1.160 388 P CA 1.024 63.193 63.100 -1.552 0.000 0.777 388 P CB 0.120 30.533 31.700 -2.145 0.000 0.814 389 F N -0.959 118.813 119.950 -0.297 0.000 2.720 389 F HA 0.292 4.815 4.527 -0.006 0.000 0.301 389 F C 1.251 176.981 175.800 -0.116 0.000 1.103 389 F CA -0.334 57.554 58.000 -0.187 0.000 1.291 389 F CB 0.492 39.401 39.000 -0.153 0.000 1.086 389 F HN -0.348 nan 8.300 nan 0.000 0.592 390 R N 0.336 120.850 120.500 0.022 0.000 2.621 390 R HA 0.673 5.009 4.340 -0.008 0.000 0.284 390 R C -0.541 175.765 176.300 0.009 0.000 0.998 390 R CA -0.733 55.383 56.100 0.026 0.000 0.895 390 R CB 1.938 32.261 30.300 0.039 0.000 1.195 390 R HN 0.023 nan 8.270 nan 0.000 0.450 391 A N 2.091 124.919 122.820 0.014 0.000 2.280 391 A HA 0.296 4.611 4.320 -0.008 0.000 0.268 391 A C -0.028 177.570 177.584 0.022 0.000 1.111 391 A CA -0.349 51.700 52.037 0.020 0.000 0.814 391 A CB 0.334 19.343 19.000 0.016 0.000 1.093 391 A HN 0.761 nan 8.150 nan 0.000 0.498 392 R N -0.404 120.112 120.500 0.027 0.000 2.522 392 R HA 0.331 4.667 4.340 -0.008 0.000 0.284 392 R C 1.226 177.531 176.300 0.007 0.000 1.032 392 R CA 1.346 57.458 56.100 0.020 0.000 1.049 392 R CB -0.231 30.084 30.300 0.025 0.000 0.956 392 R HN 1.687 nan 8.270 nan 0.000 0.422 393 G N 2.809 111.608 108.800 -0.002 0.000 2.212 393 G HA2 -0.346 3.610 3.960 -0.008 0.000 0.266 393 G HA3 -0.346 3.610 3.960 -0.008 0.000 0.266 393 G C 0.046 174.946 174.900 -0.000 0.000 0.978 393 G CA 0.509 45.606 45.100 -0.005 0.000 0.632 393 G HN 0.681 nan 8.290 nan 0.000 0.537 394 E N 0.934 121.137 120.200 0.005 0.000 2.217 394 E HA 0.471 4.816 4.350 -0.008 0.000 0.279 394 E C -0.101 176.504 176.600 0.008 0.000 1.068 394 E CA -0.112 56.292 56.400 0.007 0.000 0.882 394 E CB 0.167 29.873 29.700 0.011 0.000 1.039 394 E HN 0.326 nan 8.360 nan 0.000 0.418 395 K N 3.313 123.716 120.400 0.005 0.000 2.413 395 K HA 0.331 4.646 4.320 -0.008 0.000 0.257 395 K C -0.939 175.664 176.600 0.005 0.000 0.946 395 K CA -0.707 55.583 56.287 0.006 0.000 0.823 395 K CB 1.903 34.404 32.500 0.002 0.000 1.109 395 K HN 0.334 nan 8.250 nan 0.000 0.427 396 V N -1.067 118.851 119.914 0.006 0.000 3.001 396 V HA 0.476 4.591 4.120 -0.008 0.000 0.314 396 V C -0.088 176.005 176.094 -0.001 0.000 1.099 396 V CA -1.154 61.147 62.300 0.001 0.000 0.989 396 V CB 1.717 33.540 31.823 0.000 0.000 1.040 396 V HN 0.694 nan 8.190 nan 0.000 0.434 397 E N 1.953 122.149 120.200 -0.006 0.000 2.467 397 E HA -0.002 4.343 4.350 -0.008 0.000 0.264 397 E C 0.483 177.078 176.600 -0.009 0.000 1.020 397 E CA 0.150 56.546 56.400 -0.008 0.000 0.945 397 E CB 0.327 30.020 29.700 -0.013 0.000 0.942 397 E HN 0.726 nan 8.360 nan 0.000 0.449 398 N N 2.352 121.048 118.700 -0.005 0.000 2.091 398 N HA -0.201 4.534 4.740 -0.008 0.000 0.193 398 N C 1.275 176.774 175.510 -0.018 0.000 1.021 398 N CA 1.388 54.437 53.050 -0.003 0.000 0.862 398 N CB -0.036 38.452 38.487 0.003 0.000 1.018 398 N HN 0.360 nan 8.380 nan 0.000 0.429 399 K N 0.322 120.708 120.400 -0.024 0.000 2.063 399 K HA -0.165 4.150 4.320 -0.008 0.000 0.208 399 K C 1.851 178.427 176.600 -0.039 0.000 1.048 399 K CA 1.152 57.419 56.287 -0.033 0.000 0.928 399 K CB -0.042 32.440 32.500 -0.030 0.000 0.713 399 K HN 0.106 nan 8.250 nan 0.000 0.442 400 E N 1.130 121.310 120.200 -0.033 0.000 2.072 400 E HA -0.153 4.192 4.350 -0.008 0.000 0.190 400 E C 1.778 178.345 176.600 -0.054 0.000 0.982 400 E CA 0.732 57.110 56.400 -0.037 0.000 0.803 400 E CB -0.195 29.491 29.700 -0.023 0.000 0.755 400 E HN 0.092 nan 8.360 nan 0.000 0.453 401 L N 1.197 122.389 121.223 -0.052 0.000 2.046 401 L HA -0.113 4.222 4.340 -0.008 0.000 0.208 401 L C 2.246 179.025 176.870 -0.152 0.000 1.077 401 L CA 2.039 56.828 54.840 -0.084 0.000 0.747 401 L CB -0.662 41.368 42.059 -0.048 0.000 0.896 401 L HN 0.111 nan 8.230 nan 0.000 0.432 402 K N -0.979 119.356 120.400 -0.108 0.000 2.032 402 K HA -0.293 4.022 4.320 -0.008 0.000 0.209 402 K C 2.237 178.750 176.600 -0.145 0.000 1.048 402 K CA 1.924 58.138 56.287 -0.122 0.000 0.927 402 K CB -0.171 32.290 32.500 -0.066 0.000 0.712 402 K HN 0.376 nan 8.250 nan 0.000 0.441 403 Q N 0.935 120.670 119.800 -0.107 0.000 2.124 403 Q HA -0.135 4.201 4.340 -0.008 0.000 0.202 403 Q C 1.882 177.811 176.000 -0.119 0.000 0.977 403 Q CA 1.665 57.412 55.803 -0.094 0.000 0.850 403 Q CB 0.013 28.714 28.738 -0.062 0.000 0.901 403 Q HN 0.276 nan 8.270 nan 0.000 0.429 404 R N -1.008 119.403 120.500 -0.148 0.000 2.066 404 R HA -0.061 4.274 4.340 -0.008 0.000 0.232 404 R C 2.287 178.373 176.300 -0.357 0.000 1.131 404 R CA 1.468 57.466 56.100 -0.170 0.000 0.955 404 R CB -0.404 29.822 30.300 -0.124 0.000 0.851 404 R HN 0.156 nan 8.270 nan 0.000 0.432 405 V N 1.566 121.118 119.914 -0.604 0.000 2.407 405 V HA -0.206 3.910 4.120 -0.008 0.000 0.248 405 V C 2.256 178.158 176.094 -0.320 0.000 1.055 405 V CA 1.579 63.414 62.300 -0.775 0.000 1.049 405 V CB -0.365 31.038 31.823 -0.700 0.000 0.662 405 V HN 0.289 nan 8.190 nan 0.000 0.455 406 L N -0.746 120.340 121.223 -0.228 0.000 2.156 406 L HA -0.037 4.298 4.340 -0.008 0.000 0.208 406 L C 2.353 179.178 176.870 -0.075 0.000 1.095 406 L CA 1.278 56.036 54.840 -0.136 0.000 0.770 406 L CB -0.227 41.765 42.059 -0.112 0.000 0.914 406 L HN 0.368 nan 8.230 nan 0.000 0.439 407 E N -1.458 118.701 120.200 -0.067 0.000 2.467 407 E HA 0.060 4.405 4.350 -0.008 0.000 0.213 407 E C 0.441 177.040 176.600 -0.002 0.000 0.823 407 E CA -0.038 56.346 56.400 -0.028 0.000 1.233 407 E CB 0.614 30.295 29.700 -0.032 0.000 1.233 407 E HN 0.341 nan 8.360 nan 0.000 0.585 408 Q N 1.271 121.072 119.800 0.001 0.000 2.288 408 Q HA 0.420 4.755 4.340 -0.008 0.000 0.254 408 Q C -0.760 175.286 176.000 0.076 0.000 0.932 408 Q CA -0.265 55.561 55.803 0.038 0.000 0.902 408 Q CB 1.120 29.891 28.738 0.054 0.000 1.203 408 Q HN 0.033 nan 8.270 nan 0.000 0.415 409 A N 3.901 126.749 122.820 0.048 0.000 2.362 409 A HA 0.350 4.665 4.320 -0.008 0.000 0.276 409 A C -0.371 177.204 177.584 -0.015 0.000 1.153 409 A CA -0.575 51.485 52.037 0.039 0.000 0.813 409 A CB 0.515 19.535 19.000 0.033 0.000 1.081 409 A HN 0.628 nan 8.150 nan 0.000 0.507 410 V N 3.086 122.953 119.914 -0.078 0.000 2.740 410 V HA 0.322 4.438 4.120 -0.008 0.000 0.303 410 V C 1.161 177.026 176.094 -0.383 0.000 1.054 410 V CA 0.632 62.725 62.300 -0.345 0.000 1.106 410 V CB 1.012 32.469 31.823 -0.610 0.000 0.957 410 V HN 1.059 nan 8.190 nan 0.000 0.486 411 T N 2.132 116.430 114.554 -0.427 0.000 2.918 411 T HA 0.684 5.029 4.350 -0.008 0.000 0.286 411 T C -1.117 173.315 174.700 -0.447 0.000 1.026 411 T CA -0.592 61.342 62.100 -0.276 0.000 1.031 411 T CB 1.223 70.029 68.868 -0.103 0.000 1.046 411 T HN 0.361 nan 8.240 nan 0.000 0.479 412 Y N 1.577 121.808 120.300 -0.114 0.000 2.326 412 Y HA 0.494 5.042 4.550 -0.003 0.000 0.331 412 Y C -2.062 173.768 175.900 -0.117 0.000 0.962 412 Y CA -2.053 55.876 58.100 -0.284 0.000 1.167 412 Y CB 1.197 39.408 38.460 -0.415 0.000 1.148 412 Y HN 0.608 nan 8.280 nan 0.000 0.463 413 P HA 0.081 nan 4.420 nan 0.000 0.274 413 P C 0.122 177.547 177.300 0.208 0.000 1.264 413 P CA -0.123 63.066 63.100 0.149 0.000 0.795 413 P CB 1.002 32.794 31.700 0.153 0.000 1.064 414 D N -0.745 119.735 120.400 0.134 0.000 2.178 414 D HA -0.132 4.503 4.640 -0.008 0.000 0.201 414 D C 1.637 178.004 176.300 0.111 0.000 0.980 414 D CA 1.173 55.237 54.000 0.107 0.000 0.842 414 D CB -0.238 40.597 40.800 0.058 0.000 0.948 414 D HN 0.370 nan 8.370 nan 0.000 0.472 415 K N -0.371 120.085 120.400 0.095 0.000 2.189 415 K HA -0.165 4.150 4.320 -0.008 0.000 0.207 415 K C 0.198 176.742 176.600 -0.093 0.000 1.046 415 K CA 0.612 56.882 56.287 -0.028 0.000 0.928 415 K CB -0.295 32.135 32.500 -0.117 0.000 0.720 415 K HN 0.214 nan 8.250 nan 0.000 0.458 416 F N 1.726 121.653 119.950 -0.039 0.000 2.472 416 F HA -0.000 4.521 4.527 -0.010 0.000 0.364 416 F C 1.076 176.854 175.800 -0.036 0.000 1.090 416 F CA -0.774 57.203 58.000 -0.038 0.000 1.188 416 F CB 0.617 39.609 39.000 -0.013 0.000 1.105 416 F HN -0.047 nan 8.300 nan 0.000 0.536 417 S N 3.667 119.408 115.700 0.068 0.000 2.593 417 S HA 0.181 4.646 4.470 -0.008 0.000 0.269 417 S C -1.843 172.791 174.600 0.056 0.000 1.334 417 S CA -1.135 57.087 58.200 0.037 0.000 1.015 417 S CB 0.996 64.191 63.200 -0.008 0.000 0.912 417 S HN 0.376 nan 8.310 nan 0.000 0.541 418 P HA -0.138 nan 4.420 nan 0.000 0.217 418 P C 1.522 178.843 177.300 0.035 0.000 1.151 418 P CA 2.047 65.157 63.100 0.018 0.000 0.849 418 P CB -0.244 31.461 31.700 0.008 0.000 0.787 419 A N -1.018 121.829 122.820 0.045 0.000 1.897 419 A HA -0.130 4.185 4.320 -0.008 0.000 0.215 419 A C 2.351 180.006 177.584 0.118 0.000 1.181 419 A CA 1.941 54.038 52.037 0.100 0.000 0.620 419 A CB -1.394 17.627 19.000 0.035 0.000 0.821 419 A HN 0.117 nan 8.150 nan 0.000 0.443 420 S N -0.279 115.463 115.700 0.070 0.000 2.356 420 S HA -0.184 4.281 4.470 -0.008 0.000 0.223 420 S C 2.015 176.723 174.600 0.180 0.000 1.032 420 S CA 1.743 60.025 58.200 0.137 0.000 1.005 420 S CB -0.260 63.031 63.200 0.151 0.000 0.867 420 S HN 0.711 nan 8.310 nan 0.000 0.449 421 K N 1.280 121.702 120.400 0.037 0.000 2.002 421 K HA -0.193 4.122 4.320 -0.008 0.000 0.209 421 K C 1.839 178.254 176.600 -0.308 0.000 1.048 421 K CA 1.929 57.980 56.287 -0.393 0.000 0.930 421 K CB -0.365 31.857 32.500 -0.464 0.000 0.714 421 K HN 0.241 nan 8.250 nan 0.000 0.438 422 D N -0.650 119.708 120.400 -0.069 0.000 2.123 422 D HA -0.210 4.425 4.640 -0.008 0.000 0.196 422 D C 1.719 178.066 176.300 0.077 0.000 0.992 422 D CA 1.286 55.316 54.000 0.051 0.000 0.833 422 D CB -0.110 40.814 40.800 0.207 0.000 0.954 422 D HN 0.284 nan 8.370 nan 0.000 0.455 423 F N 0.503 120.361 119.950 -0.153 0.000 2.075 423 F HA -0.170 4.356 4.527 -0.002 0.000 0.297 423 F C 2.297 178.022 175.800 -0.125 0.000 1.113 423 F CA 1.073 58.848 58.000 -0.376 0.000 1.218 423 F CB -0.682 37.999 39.000 -0.531 0.000 0.984 423 F HN 0.134 nan 8.300 nan 0.000 0.472 424 C N 0.633 119.937 119.300 0.007 0.000 2.398 424 C HA -0.217 4.238 4.460 -0.008 0.000 0.276 424 C C 2.733 177.710 174.990 -0.021 0.000 1.222 424 C CA 1.508 60.544 59.018 0.030 0.000 1.746 424 C CB -1.231 26.681 27.740 0.288 0.000 2.039 424 C HN 0.525 nan 8.230 nan 0.000 0.470 425 E N 0.492 120.666 120.200 -0.043 0.000 2.097 425 E HA -0.234 4.111 4.350 -0.008 0.000 0.196 425 E C 2.301 178.892 176.600 -0.016 0.000 1.000 425 E CA 1.518 57.920 56.400 0.002 0.000 0.804 425 E CB -0.262 29.407 29.700 -0.051 0.000 0.740 425 E HN 0.706 nan 8.360 nan 0.000 0.454 426 A N 0.584 123.361 122.820 -0.072 0.000 1.969 426 A HA -0.091 4.225 4.320 -0.008 0.000 0.218 426 A C 2.085 179.610 177.584 -0.099 0.000 1.169 426 A CA 0.850 52.845 52.037 -0.070 0.000 0.635 426 A CB -0.275 18.681 19.000 -0.074 0.000 0.810 426 A HN 0.123 nan 8.150 nan 0.000 0.445 427 L N -1.113 119.997 121.223 -0.189 0.000 2.249 427 L HA 0.090 4.425 4.340 -0.008 0.000 0.207 427 L C 1.749 178.596 176.870 -0.039 0.000 1.090 427 L CA 0.420 55.184 54.840 -0.127 0.000 0.802 427 L CB -0.170 41.743 42.059 -0.243 0.000 0.947 427 L HN 0.289 nan 8.230 nan 0.000 0.453 428 L N -0.622 120.552 121.223 -0.082 0.000 2.591 428 L HA 0.061 4.396 4.340 -0.008 0.000 0.228 428 L C 0.635 177.630 176.870 0.208 0.000 1.133 428 L CA -0.266 54.517 54.840 -0.095 0.000 0.880 428 L CB -0.210 41.744 42.059 -0.174 0.000 1.033 428 L HN 0.224 nan 8.230 nan 0.000 0.450 429 Q N 1.361 121.262 119.800 0.168 0.000 2.304 429 Q HA -0.074 4.261 4.340 -0.008 0.000 0.315 429 Q C 0.937 177.067 176.000 0.216 0.000 1.075 429 Q CA 0.458 56.359 55.803 0.162 0.000 0.988 429 Q CB 0.837 29.640 28.738 0.108 0.000 1.146 429 Q HN 0.188 nan 8.270 nan 0.000 0.383 430 K N 1.323 121.815 120.400 0.154 0.000 2.057 430 K HA -0.076 4.239 4.320 -0.008 0.000 0.206 430 K C 0.457 177.081 176.600 0.040 0.000 1.050 430 K CA 0.637 56.979 56.287 0.093 0.000 0.935 430 K CB 0.020 32.550 32.500 0.050 0.000 0.715 430 K HN 0.536 nan 8.250 nan 0.000 0.439 431 D N 2.071 122.500 120.400 0.048 0.000 2.343 431 D HA 0.035 4.670 4.640 -0.008 0.000 0.255 431 D C -1.634 174.698 176.300 0.052 0.000 1.187 431 D CA -2.212 51.808 54.000 0.034 0.000 0.875 431 D CB 1.455 42.274 40.800 0.031 0.000 1.136 431 D HN -0.102 nan 8.370 nan 0.000 0.469 432 P HA -0.114 nan 4.420 nan 0.000 0.220 432 P C 0.806 178.144 177.300 0.064 0.000 1.148 432 P CA 0.755 63.897 63.100 0.069 0.000 0.803 432 P CB 0.519 32.255 31.700 0.061 0.000 0.782 433 E N 0.702 120.930 120.200 0.046 0.000 2.204 433 E HA -0.127 4.218 4.350 -0.008 0.000 0.194 433 E C 1.572 178.194 176.600 0.037 0.000 0.989 433 E CA 1.061 57.484 56.400 0.038 0.000 0.824 433 E CB -0.213 29.503 29.700 0.028 0.000 0.756 433 E HN 0.461 nan 8.360 nan 0.000 0.477 434 K N 0.427 120.851 120.400 0.041 0.000 2.393 434 K HA 0.088 4.403 4.320 -0.008 0.000 0.193 434 K C 1.047 177.673 176.600 0.043 0.000 1.026 434 K CA -0.195 56.115 56.287 0.039 0.000 1.064 434 K CB 0.495 33.018 32.500 0.039 0.000 0.833 434 K HN -0.127 nan 8.250 nan 0.000 0.521 435 R N 1.839 122.373 120.500 0.057 0.000 2.390 435 R HA 0.105 4.440 4.340 -0.008 0.000 0.291 435 R C -0.449 175.862 176.300 0.019 0.000 1.070 435 R CA -0.512 55.626 56.100 0.063 0.000 1.014 435 R CB 0.433 30.807 30.300 0.123 0.000 1.007 435 R HN -0.065 nan 8.270 nan 0.000 0.466 436 L N 3.987 125.199 121.223 -0.018 0.000 2.490 436 L HA 0.257 4.592 4.340 -0.008 0.000 0.274 436 L C 0.450 177.195 176.870 -0.209 0.000 1.201 436 L CA 1.677 56.470 54.840 -0.080 0.000 0.869 436 L CB 0.944 42.945 42.059 -0.097 0.000 1.123 436 L HN 0.909 nan 8.230 nan 0.000 0.484 437 G N 3.304 111.892 108.800 -0.355 0.000 2.623 437 G HA2 0.027 3.982 3.960 -0.008 0.000 0.085 437 G HA3 0.027 3.982 3.960 -0.008 0.000 0.085 437 G C -1.266 173.305 174.900 -0.549 0.000 1.116 437 G CA -0.544 43.963 45.100 -0.988 0.000 1.200 437 G HN 0.423 nan 8.290 nan 0.000 0.556 438 F N 3.019 122.698 119.950 -0.452 0.000 2.438 438 F HA 0.765 5.287 4.527 -0.008 0.000 0.360 438 F C 0.602 176.394 175.800 -0.013 0.000 1.118 438 F CA -0.421 57.549 58.000 -0.051 0.000 1.164 438 F CB 0.664 39.767 39.000 0.172 0.000 1.131 438 F HN 0.377 nan 8.300 nan 0.000 0.527 439 R N 4.965 125.263 120.500 -0.337 0.000 2.621 439 R HA 0.245 4.580 4.340 -0.008 0.000 0.284 439 R C -0.860 175.225 176.300 -0.359 0.000 0.998 439 R CA -0.490 55.458 56.100 -0.254 0.000 0.895 439 R CB 1.093 31.313 30.300 -0.135 0.000 1.195 439 R HN 0.729 nan 8.270 nan 0.000 0.450 440 D N 2.945 123.191 120.400 -0.256 0.000 2.772 440 D HA -0.179 4.456 4.640 -0.008 0.000 0.233 440 D C 0.560 176.681 176.300 -0.299 0.000 1.143 440 D CA 1.789 55.665 54.000 -0.208 0.000 0.700 440 D CB -1.070 39.643 40.800 -0.145 0.000 1.076 440 D HN 1.073 nan 8.370 nan 0.000 0.430 441 G N -0.873 107.619 108.800 -0.513 0.000 2.148 441 G HA2 -0.189 3.766 3.960 -0.008 0.000 0.254 441 G HA3 -0.189 3.766 3.960 -0.008 0.000 0.254 441 G C 0.282 174.797 174.900 -0.641 0.000 0.981 441 G CA 1.228 46.033 45.100 -0.492 0.000 0.670 441 G HN 1.538 nan 8.290 nan 0.000 0.528 442 S N -2.951 112.171 115.700 -0.964 0.000 2.661 442 S HA 0.523 4.988 4.470 -0.008 0.000 0.268 442 S C 0.231 174.628 174.600 -0.338 0.000 1.162 442 S CA 0.059 58.001 58.200 -0.430 0.000 0.817 442 S CB 1.188 64.269 63.200 -0.198 0.000 1.141 442 S HN 0.784 nan 8.310 nan 0.000 0.477 443 C N 1.359 120.617 119.300 -0.070 0.000 2.778 443 C HA 0.400 4.856 4.460 -0.008 0.000 0.294 443 C C 1.402 176.286 174.990 -0.176 0.000 1.331 443 C CA -0.346 58.640 59.018 -0.054 0.000 1.741 443 C CB -1.819 25.962 27.740 0.067 0.000 2.106 443 C HN 0.822 nan 8.230 nan 0.000 0.603 444 D N 1.802 122.081 120.400 -0.201 0.000 2.149 444 D HA -0.089 4.546 4.640 -0.008 0.000 0.198 444 D C 2.257 178.459 176.300 -0.164 0.000 0.990 444 D CA 1.852 55.714 54.000 -0.229 0.000 0.839 444 D CB -0.417 40.278 40.800 -0.174 0.000 0.948 444 D HN 0.551 nan 8.370 nan 0.000 0.460 445 G N 1.180 109.914 108.800 -0.109 0.000 2.446 445 G HA2 -0.258 3.697 3.960 -0.008 0.000 0.217 445 G HA3 -0.258 3.697 3.960 -0.008 0.000 0.217 445 G C 1.706 176.624 174.900 0.030 0.000 1.168 445 G CA 0.639 45.713 45.100 -0.043 0.000 0.771 445 G HN 0.320 nan 8.290 nan 0.000 0.551 446 L N 0.031 121.275 121.223 0.035 0.000 2.079 446 L HA -0.028 4.308 4.340 -0.008 0.000 0.210 446 L C 3.086 180.117 176.870 0.269 0.000 1.081 446 L CA 1.259 56.220 54.840 0.201 0.000 0.752 446 L CB -0.167 41.999 42.059 0.179 0.000 0.896 446 L HN 0.141 nan 8.230 nan 0.000 0.433 447 R N -0.828 119.622 120.500 -0.084 0.000 2.152 447 R HA -0.140 4.195 4.340 -0.008 0.000 0.232 447 R C 1.990 178.389 176.300 0.166 0.000 1.117 447 R CA 1.710 57.615 56.100 -0.325 0.000 0.981 447 R CB -0.570 29.030 30.300 -1.168 0.000 0.870 447 R HN 0.584 nan 8.270 nan 0.000 0.451 448 T N -2.258 112.380 114.554 0.140 0.000 3.148 448 T HA -0.063 4.282 4.350 -0.008 0.000 0.253 448 T C 0.776 175.617 174.700 0.235 0.000 1.134 448 T CA 0.013 62.217 62.100 0.172 0.000 1.051 448 T CB -0.233 68.678 68.868 0.072 0.000 0.959 448 T HN 0.159 nan 8.240 nan 0.000 0.525 449 H N 2.726 121.957 119.070 0.268 0.000 2.928 449 H HA 0.112 4.663 4.556 -0.007 0.000 0.338 449 H C -1.700 173.681 175.328 0.089 0.000 1.047 449 H CA -1.488 54.671 56.048 0.186 0.000 1.435 449 H CB 1.467 31.376 29.762 0.245 0.000 1.428 449 H HN -0.004 nan 8.280 nan 0.000 0.590 450 P HA -0.198 nan 4.420 nan 0.000 0.219 450 P C 1.767 179.069 177.300 0.003 0.000 1.144 450 P CA 0.657 63.718 63.100 -0.065 0.000 0.806 450 P CB 0.120 31.722 31.700 -0.164 0.000 0.771 451 L N -1.396 119.864 121.223 0.062 0.000 2.043 451 L HA -0.123 4.213 4.340 -0.008 0.000 0.212 451 L C 1.566 178.184 176.870 -0.420 0.000 1.075 451 L CA 1.827 56.445 54.840 -0.370 0.000 0.752 451 L CB -1.053 40.391 42.059 -1.025 0.000 0.891 451 L HN -0.093 nan 8.230 nan 0.000 0.432 452 F N -1.107 118.870 119.950 0.046 0.000 2.701 452 F HA 0.193 4.716 4.527 -0.007 0.000 0.295 452 F C 1.945 177.769 175.800 0.040 0.000 1.165 452 F CA -0.365 57.662 58.000 0.044 0.000 1.399 452 F CB -0.299 38.869 39.000 0.279 0.000 0.996 452 F HN -0.071 nan 8.300 nan 0.000 0.513 453 R N 0.438 121.011 120.500 0.122 0.000 2.091 453 R HA -0.160 4.175 4.340 -0.008 0.000 0.238 453 R C 0.818 177.148 176.300 0.051 0.000 1.136 453 R CA 1.610 57.760 56.100 0.083 0.000 0.959 453 R CB -0.203 30.116 30.300 0.031 0.000 0.856 453 R HN 0.248 nan 8.270 nan 0.000 0.437 454 D N -0.280 120.130 120.400 0.017 0.000 2.328 454 D HA 0.079 4.714 4.640 -0.008 0.000 0.221 454 D C 0.025 176.295 176.300 -0.050 0.000 1.072 454 D CA 0.309 54.301 54.000 -0.013 0.000 0.850 454 D CB 0.310 41.096 40.800 -0.024 0.000 0.922 454 D HN 0.033 nan 8.370 nan 0.000 0.516 455 I N 1.446 121.960 120.570 -0.092 0.000 2.325 455 I HA 0.076 4.241 4.170 -0.008 0.000 0.291 455 I C 0.348 176.270 176.117 -0.326 0.000 1.019 455 I CA -0.258 60.868 61.300 -0.289 0.000 1.302 455 I CB 1.031 38.666 38.000 -0.607 0.000 1.401 455 I HN -0.296 nan 8.210 nan 0.000 0.485 456 S N 6.554 122.115 115.700 -0.233 0.000 2.400 456 S HA 0.109 4.575 4.470 -0.008 0.000 0.295 456 S C 0.784 175.294 174.600 -0.150 0.000 1.113 456 S CA -0.618 57.510 58.200 -0.121 0.000 1.064 456 S CB 0.241 63.414 63.200 -0.044 0.000 0.990 456 S HN 0.573 nan 8.310 nan 0.000 0.502 457 W N 2.699 123.992 121.300 -0.012 0.000 2.388 457 W HA -0.053 4.600 4.660 -0.012 0.000 0.294 457 W C 2.550 179.065 176.519 -0.007 0.000 1.212 457 W CA 0.465 57.788 57.345 -0.037 0.000 1.271 457 W CB -0.105 29.322 29.460 -0.056 0.000 1.126 457 W HN 0.596 nan 8.180 nan 0.000 0.535 458 R N 0.701 121.329 120.500 0.213 0.000 2.096 458 R HA -0.265 4.070 4.340 -0.008 0.000 0.240 458 R C 1.886 178.246 176.300 0.099 0.000 1.139 458 R CA 2.322 58.504 56.100 0.136 0.000 0.952 458 R CB -0.378 29.973 30.300 0.084 0.000 0.854 458 R HN 0.170 nan 8.270 nan 0.000 0.436 459 Q N 0.304 120.140 119.800 0.059 0.000 2.172 459 Q HA -0.077 4.258 4.340 -0.008 0.000 0.200 459 Q C 2.004 178.040 176.000 0.061 0.000 0.964 459 Q CA 1.122 56.950 55.803 0.041 0.000 0.855 459 Q CB -0.143 28.605 28.738 0.016 0.000 0.918 459 Q HN 0.320 nan 8.270 nan 0.000 0.444 460 L N 0.898 122.142 121.223 0.034 0.000 1.994 460 L HA -0.209 4.126 4.340 -0.008 0.000 0.208 460 L C 1.834 178.833 176.870 0.215 0.000 1.071 460 L CA 1.751 56.610 54.840 0.032 0.000 0.745 460 L CB -0.109 41.825 42.059 -0.209 0.000 0.892 460 L HN 0.179 nan 8.230 nan 0.000 0.431 461 E N -0.498 119.853 120.200 0.252 0.000 2.204 461 E HA -0.166 4.179 4.350 -0.008 0.000 0.195 461 E C 1.782 178.511 176.600 0.216 0.000 0.990 461 E CA 0.862 57.472 56.400 0.350 0.000 0.821 461 E CB -0.190 29.683 29.700 0.288 0.000 0.750 461 E HN 0.642 nan 8.360 nan 0.000 0.477 462 A N 0.321 123.218 122.820 0.128 0.000 2.275 462 A HA 0.306 4.622 4.320 -0.008 0.000 0.212 462 A C 1.605 179.198 177.584 0.016 0.000 1.201 462 A CA 0.577 52.646 52.037 0.054 0.000 0.843 462 A CB -0.170 18.858 19.000 0.046 0.000 0.873 462 A HN 0.273 nan 8.150 nan 0.000 0.492 463 G N -0.696 108.127 108.800 0.039 0.000 2.225 463 G HA2 -0.345 3.610 3.960 -0.008 0.000 0.267 463 G HA3 -0.345 3.610 3.960 -0.008 0.000 0.267 463 G C 0.710 175.635 174.900 0.042 0.000 1.024 463 G CA 0.895 46.009 45.100 0.023 0.000 0.784 463 G HN 0.444 nan 8.290 nan 0.000 0.507 464 M N -0.817 118.813 119.600 0.050 0.000 2.394 464 M HA 0.298 4.774 4.480 -0.008 0.000 0.266 464 M C 1.519 177.848 176.300 0.048 0.000 1.098 464 M CA 0.641 55.962 55.300 0.034 0.000 1.149 464 M CB 0.117 32.729 32.600 0.019 0.000 1.369 464 M HN 0.207 nan 8.290 nan 0.000 0.450 465 L N 0.997 122.275 121.223 0.091 0.000 2.456 465 L HA 0.054 4.390 4.340 -0.008 0.000 0.272 465 L C 0.198 177.114 176.870 0.077 0.000 1.189 465 L CA -0.073 54.828 54.840 0.102 0.000 0.846 465 L CB 0.373 42.555 42.059 0.205 0.000 1.111 465 L HN 0.042 nan 8.230 nan 0.000 0.475 466 T N 3.887 118.424 114.554 -0.027 0.000 2.761 466 T HA 0.231 4.576 4.350 -0.008 0.000 0.296 466 T C -2.120 172.403 174.700 -0.295 0.000 0.934 466 T CA -0.889 61.146 62.100 -0.108 0.000 1.091 466 T CB 0.703 69.504 68.868 -0.111 0.000 0.896 466 T HN 0.346 nan 8.240 nan 0.000 0.515 467 P HA 0.162 nan 4.420 nan 0.000 0.269 467 P C -1.644 175.315 177.300 -0.567 0.000 1.215 467 P CA -1.374 61.269 63.100 -0.762 0.000 0.780 467 P CB 0.230 31.742 31.700 -0.314 0.000 0.898 468 P HA 0.012 nan 4.420 nan 0.000 0.229 468 P C -0.207 176.976 177.300 -0.194 0.000 1.160 468 P CA 0.919 63.783 63.100 -0.393 0.000 0.777 468 P CB 0.217 31.655 31.700 -0.438 0.000 0.814 469 F N 0.740 120.488 119.950 -0.336 0.000 2.518 469 F HA 0.459 4.981 4.527 -0.010 0.000 0.323 469 F C -1.205 174.487 175.800 -0.179 0.000 1.129 469 F CA -1.237 56.624 58.000 -0.232 0.000 0.920 469 F CB 1.747 40.591 39.000 -0.260 0.000 1.160 469 F HN -0.448 nan 8.300 nan 0.000 0.440 470 V N 7.158 126.564 119.914 -0.846 0.000 2.357 470 V HA 0.425 4.540 4.120 -0.008 0.000 0.284 470 V C -2.170 173.380 176.094 -0.907 0.000 1.018 470 V CA -1.875 60.044 62.300 -0.636 0.000 0.841 470 V CB 1.129 32.748 31.823 -0.340 0.000 0.991 470 V HN 0.630 nan 8.190 nan 0.000 0.437 471 P HA 0.158 nan 4.420 nan 0.000 0.271 471 P C -0.670 176.672 177.300 0.070 0.000 1.218 471 P CA -0.200 62.763 63.100 -0.228 0.000 0.780 471 P CB 0.527 32.214 31.700 -0.023 0.000 0.901 472 D N 0.613 121.228 120.400 0.358 0.000 2.312 472 D HA 0.081 4.716 4.640 -0.008 0.000 0.252 472 D C 0.753 177.167 176.300 0.189 0.000 1.150 472 D CA 0.166 54.285 54.000 0.199 0.000 0.870 472 D CB 0.658 41.556 40.800 0.164 0.000 1.153 472 D HN 0.116 nan 8.370 nan 0.000 0.457 473 S N 3.714 119.473 115.700 0.098 0.000 2.382 473 S HA -0.132 4.334 4.470 -0.008 0.000 0.228 473 S C 1.783 176.410 174.600 0.046 0.000 1.027 473 S CA 0.728 58.975 58.200 0.079 0.000 0.991 473 S CB -0.001 63.228 63.200 0.049 0.000 0.823 473 S HN 0.538 nan 8.310 nan 0.000 0.469 474 R N 0.962 121.476 120.500 0.023 0.000 2.115 474 R HA 0.040 4.376 4.340 -0.008 0.000 0.230 474 R C 0.313 176.583 176.300 -0.050 0.000 1.111 474 R CA 0.796 56.894 56.100 -0.003 0.000 0.976 474 R CB -0.498 29.802 30.300 -0.001 0.000 0.870 474 R HN 0.270 nan 8.270 nan 0.000 0.445 475 T N 1.274 115.765 114.554 -0.105 0.000 2.869 475 T HA 0.206 4.552 4.350 -0.008 0.000 0.295 475 T C -0.132 174.330 174.700 -0.397 0.000 0.987 475 T CA -0.281 61.638 62.100 -0.301 0.000 1.109 475 T CB 2.167 70.724 68.868 -0.517 0.000 0.932 475 T HN -0.209 nan 8.240 nan 0.000 0.518 476 V N 4.347 124.050 119.914 -0.351 0.000 2.383 476 V HA 0.207 4.323 4.120 -0.008 0.000 0.275 476 V C -0.651 175.155 176.094 -0.480 0.000 1.036 476 V CA -0.611 61.516 62.300 -0.290 0.000 0.889 476 V CB 0.226 31.957 31.823 -0.152 0.000 0.985 476 V HN 0.850 nan 8.190 nan 0.000 0.459 477 Y N 4.161 124.293 120.300 -0.279 0.000 2.817 477 Y HA 0.661 5.207 4.550 -0.007 0.000 0.339 477 Y C 0.624 175.826 175.900 -1.164 0.000 1.281 477 Y CA -0.089 57.546 58.100 -0.774 0.000 1.564 477 Y CB 0.544 38.760 38.460 -0.406 0.000 1.628 477 Y HN 0.712 nan 8.280 nan 0.000 0.489 478 A N 1.756 124.028 122.820 -0.914 0.000 2.606 478 A HA 0.580 4.895 4.320 -0.008 0.000 0.293 478 A C -1.003 176.539 177.584 -0.071 0.000 1.082 478 A CA -1.324 50.443 52.037 -0.450 0.000 0.685 478 A CB 1.269 20.152 19.000 -0.195 0.000 1.284 478 A HN 0.406 nan 8.150 nan 0.000 0.408 479 K N 1.530 122.003 120.400 0.122 0.000 2.258 479 K HA 0.280 4.595 4.320 -0.008 0.000 0.264 479 K C -0.455 176.184 176.600 0.065 0.000 1.007 479 K CA -0.454 55.929 56.287 0.160 0.000 0.941 479 K CB 0.388 32.974 32.500 0.143 0.000 0.966 479 K HN 0.572 nan 8.250 nan 0.000 0.480 486 A N 0.627 123.488 122.820 0.067 0.000 2.282 486 A HA 0.907 5.222 4.320 -0.008 0.000 0.319 486 A C -0.801 176.871 177.584 0.146 0.000 1.121 486 A CA -0.493 51.654 52.037 0.183 0.000 0.836 486 A CB 0.635 19.708 19.000 0.121 0.000 1.146 486 A HN 0.632 nan 8.150 nan 0.000 0.494 487 F N 0.371 120.312 119.950 -0.014 0.000 2.408 487 F HA 0.502 5.024 4.527 -0.008 0.000 0.325 487 F C 1.343 177.139 175.800 -0.006 0.000 1.082 487 F CA -0.237 57.754 58.000 -0.016 0.000 1.032 487 F CB 1.541 40.525 39.000 -0.027 0.000 1.259 487 F HN 0.670 nan 8.300 nan 0.000 0.503 493 V N 0.906 120.727 119.914 -0.154 0.000 2.852 493 V HA 0.780 4.896 4.120 -0.008 0.000 0.300 493 V C 0.175 176.058 176.094 -0.350 0.000 1.205 493 V CA 0.122 62.312 62.300 -0.182 0.000 0.940 493 V CB 1.548 33.299 31.823 -0.121 0.000 1.047 493 V HN 2.206 nan 8.190 nan 0.000 0.429 494 A N 6.050 128.734 122.820 -0.228 0.000 2.445 494 A HA 0.696 5.011 4.320 -0.008 0.000 0.242 494 A C -0.460 176.999 177.584 -0.208 0.000 1.075 494 A CA 0.058 51.962 52.037 -0.221 0.000 0.777 494 A CB 0.075 19.034 19.000 -0.069 0.000 1.013 494 A HN 0.796 nan 8.150 nan 0.000 0.493 495 F N 0.862 120.867 119.950 0.092 0.000 2.385 495 F HA 0.356 4.878 4.527 -0.008 0.000 0.336 495 F C 0.979 176.816 175.800 0.061 0.000 1.100 495 F CA -0.376 57.686 58.000 0.103 0.000 1.116 495 F CB 1.235 40.339 39.000 0.173 0.000 1.166 495 F HN 0.535 nan 8.300 nan 0.000 0.511 496 E N 1.375 121.727 120.200 0.253 0.000 2.243 496 E HA 0.136 4.482 4.350 -0.008 0.000 0.260 496 E C 0.753 177.404 176.600 0.085 0.000 0.985 496 E CA -0.688 55.791 56.400 0.131 0.000 0.858 496 E CB 1.375 31.127 29.700 0.087 0.000 1.210 496 E HN 0.540 nan 8.360 nan 0.000 0.411 497 K N 0.967 121.398 120.400 0.051 0.000 2.089 497 K HA -0.261 4.055 4.320 -0.008 0.000 0.210 497 K C 1.679 178.270 176.600 -0.015 0.000 1.048 497 K CA 1.907 58.205 56.287 0.019 0.000 0.926 497 K CB -0.166 32.346 32.500 0.020 0.000 0.714 497 K HN 0.478 nan 8.250 nan 0.000 0.448 498 A N 1.454 124.271 122.820 -0.005 0.000 1.940 498 A HA -0.203 4.112 4.320 -0.008 0.000 0.219 498 A C 1.677 179.208 177.584 -0.087 0.000 1.176 498 A CA 1.987 54.013 52.037 -0.019 0.000 0.631 498 A CB -0.429 18.577 19.000 0.010 0.000 0.814 498 A HN 0.475 nan 8.150 nan 0.000 0.446 499 D N -0.437 119.884 120.400 -0.132 0.000 2.103 499 D HA -0.119 4.516 4.640 -0.008 0.000 0.199 499 D C 2.339 178.127 176.300 -0.852 0.000 0.978 499 D CA 2.167 55.889 54.000 -0.462 0.000 0.829 499 D CB -0.779 39.883 40.800 -0.230 0.000 0.981 499 D HN 0.620 nan 8.370 nan 0.000 0.464 500 T N -0.515 113.803 114.554 -0.393 0.000 2.821 500 T HA -0.113 4.232 4.350 -0.008 0.000 0.267 500 T C 1.793 176.395 174.700 -0.163 0.000 1.046 500 T CA 0.956 62.928 62.100 -0.212 0.000 1.139 500 T CB -0.289 68.574 68.868 -0.008 0.000 0.871 500 T HN 0.149 nan 8.240 nan 0.000 0.454 501 E N 0.150 120.268 120.200 -0.136 0.000 2.110 501 E HA -0.022 4.323 4.350 -0.008 0.000 0.193 501 E C 1.750 178.283 176.600 -0.112 0.000 0.988 501 E CA 1.075 57.424 56.400 -0.085 0.000 0.804 501 E CB -0.301 29.375 29.700 -0.042 0.000 0.745 501 E HN 0.609 nan 8.360 nan 0.000 0.458 502 F N 0.870 120.621 119.950 -0.331 0.000 2.102 502 F HA -0.177 4.345 4.527 -0.008 0.000 0.298 502 F C 1.783 177.446 175.800 -0.228 0.000 1.105 502 F CA 1.445 59.233 58.000 -0.353 0.000 1.239 502 F CB -0.423 38.206 39.000 -0.618 0.000 0.991 502 F HN -0.064 nan 8.300 nan 0.000 0.474 503 F N 0.422 120.127 119.950 -0.409 0.000 2.171 503 F HA -0.251 4.271 4.527 -0.008 0.000 0.300 503 F C 2.536 178.163 175.800 -0.288 0.000 1.090 503 F CA 1.048 58.781 58.000 -0.446 0.000 1.293 503 F CB -0.676 38.129 39.000 -0.326 0.000 1.013 503 F HN 0.069 nan 8.300 nan 0.000 0.486 504 Q N 0.052 119.826 119.800 -0.043 0.000 2.079 504 Q HA -0.226 4.109 4.340 -0.008 0.000 0.200 504 Q C 2.003 177.952 176.000 -0.085 0.000 0.974 504 Q CA 1.586 57.365 55.803 -0.040 0.000 0.840 504 Q CB -0.143 28.575 28.738 -0.033 0.000 0.898 504 Q HN 0.250 nan 8.270 nan 0.000 0.430 505 E N 0.425 120.536 120.200 -0.149 0.000 2.072 505 E HA -0.170 4.175 4.350 -0.008 0.000 0.190 505 E C 1.452 177.931 176.600 -0.200 0.000 0.982 505 E CA 0.869 57.175 56.400 -0.156 0.000 0.803 505 E CB -0.297 29.319 29.700 -0.140 0.000 0.755 505 E HN 0.325 nan 8.360 nan 0.000 0.453 506 F N 1.110 120.771 119.950 -0.483 0.000 2.095 506 F HA -0.043 4.479 4.527 -0.008 0.000 0.298 506 F C 1.222 176.865 175.800 -0.261 0.000 1.104 506 F CA 1.347 59.076 58.000 -0.451 0.000 1.232 506 F CB -0.317 38.301 39.000 -0.637 0.000 0.987 506 F HN 0.048 nan 8.300 nan 0.000 0.475 507 A N 0.196 123.016 122.820 0.001 0.000 3.048 507 A HA 0.234 4.549 4.320 -0.008 0.000 0.264 507 A C 1.380 178.915 177.584 -0.081 0.000 1.796 507 A CA 0.479 52.516 52.037 -0.000 0.000 1.445 507 A CB -1.327 17.719 19.000 0.077 0.000 1.074 507 A HN 0.454 nan 8.150 nan 0.000 0.621 508 S N 0.031 115.627 115.700 -0.173 0.000 2.561 508 S HA 0.377 4.842 4.470 -0.008 0.000 0.225 508 S C 1.361 175.886 174.600 -0.124 0.000 0.977 508 S CA 0.574 58.681 58.200 -0.155 0.000 0.926 508 S CB -0.459 62.623 63.200 -0.198 0.000 0.769 508 S HN 2.095 nan 8.310 nan 0.000 0.533 509 G N 0.914 109.663 108.800 -0.084 0.000 2.520 509 G HA2 -0.191 3.764 3.960 -0.008 0.000 0.248 509 G HA3 -0.191 3.764 3.960 -0.008 0.000 0.248 509 G C -0.308 174.547 174.900 -0.076 0.000 1.161 509 G CA -0.230 44.839 45.100 -0.051 0.000 0.946 509 G HN 0.596 nan 8.290 nan 0.000 0.565 510 T N 0.998 115.452 114.554 -0.168 0.000 2.799 510 T HA 0.490 4.835 4.350 -0.008 0.000 0.286 510 T C 0.293 174.837 174.700 -0.260 0.000 0.973 510 T CA 0.143 62.070 62.100 -0.288 0.000 1.035 510 T CB 1.095 69.686 68.868 -0.461 0.000 0.932 510 T HN 0.811 nan 8.240 nan 0.000 0.469 511 C N 6.397 125.552 119.300 -0.242 0.000 2.482 511 C HA 0.231 4.686 4.460 -0.008 0.000 0.378 511 C C -0.700 174.266 174.990 -0.040 0.000 1.284 511 C CA -1.280 57.671 59.018 -0.112 0.000 1.826 511 C CB 0.329 28.027 27.740 -0.069 0.000 2.473 511 C HN 0.730 nan 8.230 nan 0.000 0.562 512 P HA -0.140 nan 4.420 nan 0.000 0.213 512 P C 1.464 178.826 177.300 0.103 0.000 1.170 512 P CA 1.591 64.725 63.100 0.056 0.000 0.902 512 P CB 0.118 31.841 31.700 0.039 0.000 0.789 513 I N -0.836 119.751 120.570 0.029 0.000 2.163 513 I HA -0.155 4.010 4.170 -0.008 0.000 0.240 513 I C -0.583 175.553 176.117 0.031 0.000 1.081 513 I CA 1.762 63.044 61.300 -0.030 0.000 1.353 513 I CB -1.853 35.996 38.000 -0.252 0.000 1.054 513 I HN 0.009 nan 8.210 nan 0.000 0.407 514 P HA -0.208 nan 4.420 nan 0.000 0.216 514 P C 1.236 178.603 177.300 0.110 0.000 1.150 514 P CA 1.370 64.526 63.100 0.092 0.000 0.837 514 P CB -0.127 31.629 31.700 0.093 0.000 0.786 515 W N 0.732 121.978 121.300 -0.089 0.000 2.358 515 W HA -0.147 4.508 4.660 -0.008 0.000 0.303 515 W C 2.289 178.810 176.519 0.004 0.000 1.208 515 W CA 1.567 58.872 57.345 -0.067 0.000 1.274 515 W CB -0.770 28.607 29.460 -0.140 0.000 1.138 515 W HN -0.045 nan 8.180 nan 0.000 0.515 516 Q N -0.102 119.760 119.800 0.103 0.000 2.084 516 Q HA -0.227 4.109 4.340 -0.008 0.000 0.202 516 Q C 2.030 177.894 176.000 -0.227 0.000 0.978 516 Q CA 1.960 57.692 55.803 -0.119 0.000 0.844 516 Q CB -0.426 28.310 28.738 -0.004 0.000 0.898 516 Q HN 0.440 nan 8.270 nan 0.000 0.426 517 E N 0.874 120.999 120.200 -0.125 0.000 2.058 517 E HA -0.252 4.093 4.350 -0.008 0.000 0.194 517 E C 1.956 178.482 176.600 -0.123 0.000 0.997 517 E CA 1.170 57.500 56.400 -0.117 0.000 0.801 517 E CB -0.048 29.621 29.700 -0.051 0.000 0.746 517 E HN 0.352 nan 8.360 nan 0.000 0.450 518 E N 0.316 120.457 120.200 -0.098 0.000 2.058 518 E HA -0.232 4.114 4.350 -0.008 0.000 0.194 518 E C 2.060 178.562 176.600 -0.164 0.000 0.997 518 E CA 1.191 57.546 56.400 -0.074 0.000 0.801 518 E CB 0.086 29.810 29.700 0.041 0.000 0.746 518 E HN 0.135 nan 8.360 nan 0.000 0.450 519 M N 0.315 119.705 119.600 -0.350 0.000 2.159 519 M HA -0.138 4.337 4.480 -0.008 0.000 0.263 519 M C 2.333 178.546 176.300 -0.145 0.000 1.063 519 M CA 1.243 56.353 55.300 -0.318 0.000 1.110 519 M CB -0.686 31.568 32.600 -0.578 0.000 1.374 519 M HN 0.263 nan 8.290 nan 0.000 0.411 520 I N -0.360 120.090 120.570 -0.199 0.000 2.233 520 I HA -0.241 3.924 4.170 -0.008 0.000 0.243 520 I C 2.215 178.297 176.117 -0.058 0.000 1.093 520 I CA 1.031 62.252 61.300 -0.132 0.000 1.380 520 I CB -0.332 37.510 38.000 -0.263 0.000 1.067 520 I HN 0.317 nan 8.210 nan 0.000 0.413 521 E N 0.347 120.501 120.200 -0.076 0.000 2.085 521 E HA -0.227 4.119 4.350 -0.008 0.000 0.194 521 E C 1.942 178.529 176.600 -0.021 0.000 0.994 521 E CA 2.010 58.381 56.400 -0.047 0.000 0.801 521 E CB -0.129 29.539 29.700 -0.054 0.000 0.743 521 E HN 0.557 nan 8.360 nan 0.000 0.453 522 T N -3.387 111.159 114.554 -0.014 0.000 3.129 522 T HA 0.245 4.590 4.350 -0.008 0.000 0.251 522 T C 1.475 176.194 174.700 0.032 0.000 1.117 522 T CA 0.442 62.549 62.100 0.011 0.000 1.034 522 T CB 0.631 69.512 68.868 0.022 0.000 0.968 522 T HN 0.303 nan 8.240 nan 0.000 0.526 523 G N 0.330 109.156 108.800 0.042 0.000 2.195 523 G HA2 -0.312 3.643 3.960 -0.008 0.000 0.246 523 G HA3 -0.312 3.643 3.960 -0.008 0.000 0.246 523 G C 0.876 175.836 174.900 0.099 0.000 0.984 523 G CA 0.184 45.324 45.100 0.068 0.000 0.633 523 G HN 0.508 nan 8.290 nan 0.000 0.525 524 V N 0.463 120.444 119.914 0.112 0.000 2.427 524 V HA -0.007 4.108 4.120 -0.008 0.000 0.248 524 V C 2.211 178.463 176.094 0.263 0.000 1.051 524 V CA 2.343 64.747 62.300 0.174 0.000 1.048 524 V CB -0.687 31.246 31.823 0.184 0.000 0.666 524 V HN 0.472 nan 8.190 nan 0.000 0.456 525 F N 2.182 122.151 119.950 0.030 0.000 2.069 525 F HA -0.115 4.408 4.527 -0.007 0.000 0.298 525 F C 2.261 178.132 175.800 0.118 0.000 1.113 525 F CA 1.887 59.849 58.000 -0.062 0.000 1.214 525 F CB -1.032 37.763 39.000 -0.341 0.000 0.978 525 F HN 0.152 nan 8.300 nan 0.000 0.474 526 G N -0.192 108.643 108.800 0.059 0.000 2.476 526 G HA2 -0.327 3.628 3.960 -0.008 0.000 0.218 526 G HA3 -0.327 3.628 3.960 -0.008 0.000 0.218 526 G C 1.358 176.255 174.900 -0.005 0.000 1.164 526 G CA 1.257 46.356 45.100 -0.001 0.000 0.768 526 G HN 0.379 nan 8.290 nan 0.000 0.560 527 D N 0.194 120.627 120.400 0.055 0.000 2.144 527 D HA -0.022 4.613 4.640 -0.008 0.000 0.200 527 D C 2.515 178.857 176.300 0.071 0.000 0.978 527 D CA 0.537 54.576 54.000 0.065 0.000 0.833 527 D CB -0.160 40.689 40.800 0.081 0.000 0.961 527 D HN 0.319 nan 8.370 nan 0.000 0.470 528 L N -0.215 121.083 121.223 0.125 0.000 2.477 528 L HA 0.069 4.404 4.340 -0.008 0.000 0.220 528 L C 1.221 178.157 176.870 0.110 0.000 1.106 528 L CA 0.222 55.135 54.840 0.123 0.000 0.851 528 L CB 0.032 42.187 42.059 0.160 0.000 0.994 528 L HN -0.113 nan 8.230 nan 0.000 0.462 529 N N 0.090 118.822 118.700 0.053 0.000 2.322 529 N HA 0.025 4.760 4.740 -0.008 0.000 0.216 529 N C 0.094 175.639 175.510 0.059 0.000 1.144 529 N CA -0.156 52.900 53.050 0.010 0.000 0.830 529 N CB 0.280 38.491 38.487 -0.460 0.000 1.034 529 N HN 0.069 nan 8.380 nan 0.000 0.484 530 V N -2.087 117.871 119.914 0.073 0.000 2.740 530 V HA 0.090 4.206 4.120 -0.008 0.000 0.303 530 V C 1.088 177.298 176.094 0.194 0.000 1.054 530 V CA -0.339 62.028 62.300 0.113 0.000 1.106 530 V CB 1.232 33.093 31.823 0.064 0.000 0.957 530 V HN 0.320 nan 8.190 nan 0.000 0.486 531 W N 5.311 126.618 121.300 0.011 0.000 2.850 531 W HA 0.272 4.927 4.660 -0.008 0.000 0.260 531 W C 0.948 177.467 176.519 0.002 0.000 1.129 531 W CA 0.403 57.752 57.345 0.005 0.000 1.587 531 W CB 0.515 29.986 29.460 0.018 0.000 1.041 531 W HN 0.737 nan 8.180 nan 0.000 0.614 532 R N 2.211 122.765 120.500 0.090 0.000 2.513 532 R HA 0.372 4.707 4.340 -0.008 0.000 0.283 532 R C -2.281 174.027 176.300 0.014 0.000 1.535 532 R CA -1.073 55.007 56.100 -0.033 0.000 1.315 532 R CB 0.303 30.627 30.300 0.040 0.000 1.163 532 R HN -0.129 nan 8.270 nan 0.000 0.573 533 P HA 0.000 nan 4.420 nan 0.000 0.216 533 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 533 P CB 0.000 31.692 31.700 -0.013 0.000 0.726