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 3c4w_1_A DATA FIRST_RESID 31 DATA SEQUENCE RDRKYLARLK LPPLSKCEAL RESLDLGFEG MCLEQPIGKR LFQQFLRTHE DATA SEQUENCE QHGPALQLWK DIEDYDTADD ALRPQKAQAL RAAYLEPQAQ LFCSFLDAET DATA SEQUENCE VARARAGAGD 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 PDXXXXXXXX DATA SEQUENCE XQDVGAFSTV KGVAFEKADT 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 0.000 176.298 176.300 -0.004 0.000 0.893 31 R CA 0.000 56.095 56.100 -0.008 0.000 0.921 31 R CB 0.000 30.307 30.300 0.012 0.000 0.687 32 D N 1.760 122.164 120.400 0.006 0.000 2.371 32 D HA 0.105 4.742 4.640 -0.004 0.000 0.256 32 D C 0.742 177.055 176.300 0.021 0.000 1.193 32 D CA 0.114 54.134 54.000 0.033 0.000 0.881 32 D CB 0.973 41.843 40.800 0.116 0.000 1.143 32 D HN 0.411 nan 8.370 nan 0.000 0.473 33 R N 3.023 123.513 120.500 -0.015 0.000 2.105 33 R HA -0.169 4.169 4.340 -0.004 0.000 0.239 33 R C 2.007 178.250 176.300 -0.095 0.000 1.135 33 R CA 1.239 57.315 56.100 -0.040 0.000 0.967 33 R CB 0.025 30.300 30.300 -0.042 0.000 0.861 33 R HN 0.445 nan 8.270 nan 0.000 0.442 34 K N 0.146 120.452 120.400 -0.156 0.000 2.059 34 K HA -0.244 4.073 4.320 -0.004 0.000 0.212 34 K C 1.627 177.933 176.600 -0.490 0.000 1.050 34 K CA 1.890 57.974 56.287 -0.338 0.000 0.927 34 K CB -0.170 32.058 32.500 -0.454 0.000 0.714 34 K HN 0.203 nan 8.250 nan 0.000 0.447 35 Y N 0.093 120.206 120.300 -0.313 0.000 2.286 35 Y HA -0.101 4.447 4.550 -0.004 0.000 0.293 35 Y C 2.060 177.790 175.900 -0.284 0.000 1.124 35 Y CA 0.644 58.429 58.100 -0.524 0.000 1.178 35 Y CB -0.192 37.827 38.460 -0.735 0.000 1.010 35 Y HN 0.097 nan 8.280 nan 0.000 0.536 36 L N 0.523 121.743 121.223 -0.006 0.000 2.079 36 L HA -0.151 4.186 4.340 -0.004 0.000 0.210 36 L C 2.261 179.155 176.870 0.040 0.000 1.081 36 L CA 1.941 56.814 54.840 0.055 0.000 0.752 36 L CB -0.888 41.199 42.059 0.047 0.000 0.896 36 L HN 0.134 nan 8.230 nan 0.000 0.433 37 A N -0.728 122.074 122.820 -0.030 0.000 2.172 37 A HA -0.129 4.189 4.320 -0.004 0.000 0.216 37 A C 2.211 179.794 177.584 -0.003 0.000 1.154 37 A CA 1.203 53.222 52.037 -0.030 0.000 0.701 37 A CB -0.571 18.384 19.000 -0.074 0.000 0.789 37 A HN 0.567 nan 8.150 nan 0.000 0.465 38 R N -0.798 119.711 120.500 0.016 0.000 2.300 38 R HA 0.252 4.589 4.340 -0.004 0.000 0.199 38 R C -0.337 176.119 176.300 0.261 0.000 0.920 38 R CA -0.039 56.135 56.100 0.122 0.000 1.046 38 R CB 0.008 30.387 30.300 0.133 0.000 0.984 38 R HN 0.365 nan 8.270 nan 0.000 0.493 39 L N 2.758 124.132 121.223 0.252 0.000 2.389 39 L HA 0.243 4.580 4.340 -0.004 0.000 0.265 39 L C -0.338 176.624 176.870 0.153 0.000 1.167 39 L CA 0.033 55.044 54.840 0.285 0.000 1.045 39 L CB 0.058 42.325 42.059 0.346 0.000 1.351 39 L HN -0.166 nan 8.230 nan 0.000 0.419 40 K N 3.449 123.919 120.400 0.116 0.000 2.427 40 K HA 0.524 4.842 4.320 -0.004 0.000 0.252 40 K C -0.544 176.035 176.600 -0.034 0.000 0.931 40 K CA -0.815 55.481 56.287 0.016 0.000 0.793 40 K CB 3.081 35.586 32.500 0.008 0.000 1.211 40 K HN 0.311 nan 8.250 nan 0.000 0.426 41 L N 4.200 125.323 121.223 -0.166 0.000 2.456 41 L HA 0.186 4.524 4.340 -0.004 0.000 0.272 41 L C -1.606 175.121 176.870 -0.239 0.000 1.189 41 L CA -1.310 53.379 54.840 -0.252 0.000 0.846 41 L CB 0.085 41.932 42.059 -0.353 0.000 1.111 41 L HN 0.339 nan 8.230 nan 0.000 0.475 42 P HA 0.372 nan 4.420 nan 0.000 0.285 42 P C -2.681 174.356 177.300 -0.438 0.000 1.269 42 P CA -1.945 60.817 63.100 -0.563 0.000 0.844 42 P CB 0.418 31.340 31.700 -1.295 0.000 1.094 43 P HA 0.075 nan 4.420 nan 0.000 0.269 43 P C 1.175 178.298 177.300 -0.295 0.000 1.217 43 P CA -0.005 62.930 63.100 -0.275 0.000 0.783 43 P CB 0.769 32.333 31.700 -0.227 0.000 0.898 44 L N 1.175 122.276 121.223 -0.203 0.000 2.141 44 L HA -0.185 4.152 4.340 -0.004 0.000 0.209 44 L C 2.706 179.474 176.870 -0.169 0.000 1.094 44 L CA 2.012 56.748 54.840 -0.175 0.000 0.763 44 L CB -0.862 41.131 42.059 -0.110 0.000 0.908 44 L HN 0.482 nan 8.230 nan 0.000 0.437 45 S N -0.097 115.511 115.700 -0.153 0.000 2.400 45 S HA -0.245 4.222 4.470 -0.004 0.000 0.232 45 S C 1.821 176.335 174.600 -0.144 0.000 1.025 45 S CA 1.138 59.265 58.200 -0.122 0.000 0.993 45 S CB -0.355 62.785 63.200 -0.100 0.000 0.808 45 S HN 0.416 nan 8.310 nan 0.000 0.478 46 K N -0.099 120.151 120.400 -0.249 0.000 2.525 46 K HA 0.179 4.497 4.320 -0.004 0.000 0.192 46 K C 0.963 177.413 176.600 -0.250 0.000 1.029 46 K CA 0.565 56.681 56.287 -0.285 0.000 1.029 46 K CB -0.253 31.918 32.500 -0.549 0.000 0.814 46 K HN 0.463 nan 8.250 nan 0.000 0.503 47 C N 0.622 119.791 119.300 -0.218 0.000 2.791 47 C HA 0.139 4.597 4.460 -0.004 0.000 0.270 47 C C 1.893 176.869 174.990 -0.022 0.000 1.257 47 C CA -0.399 58.565 59.018 -0.090 0.000 1.699 47 C CB -0.619 27.038 27.740 -0.138 0.000 1.904 47 C HN 0.477 nan 8.230 nan 0.000 0.603 48 E N 1.996 122.183 120.200 -0.022 0.000 2.017 48 E HA -0.166 4.182 4.350 -0.004 0.000 0.193 48 E C 2.382 179.000 176.600 0.029 0.000 0.997 48 E CA 1.408 57.808 56.400 0.001 0.000 0.804 48 E CB -0.162 29.535 29.700 -0.005 0.000 0.757 48 E HN 0.619 nan 8.360 nan 0.000 0.448 49 A N 0.860 123.704 122.820 0.040 0.000 2.032 49 A HA -0.197 4.121 4.320 -0.004 0.000 0.221 49 A C 2.031 179.648 177.584 0.055 0.000 1.165 49 A CA 1.061 53.126 52.037 0.048 0.000 0.645 49 A CB -0.368 18.664 19.000 0.054 0.000 0.807 49 A HN 0.153 nan 8.150 nan 0.000 0.453 50 L N -0.635 120.628 121.223 0.066 0.000 2.109 50 L HA 0.002 4.340 4.340 -0.004 0.000 0.207 50 L C 2.404 179.319 176.870 0.076 0.000 1.086 50 L CA 1.410 56.289 54.840 0.065 0.000 0.760 50 L CB -0.905 41.197 42.059 0.071 0.000 0.910 50 L HN 0.364 nan 8.230 nan 0.000 0.437 51 R N -0.365 120.180 120.500 0.074 0.000 2.119 51 R HA -0.204 4.134 4.340 -0.004 0.000 0.246 51 R C 1.928 178.304 176.300 0.127 0.000 1.146 51 R CA 1.758 57.932 56.100 0.123 0.000 0.962 51 R CB -0.062 30.303 30.300 0.108 0.000 0.863 51 R HN 0.460 nan 8.270 nan 0.000 0.442 52 E N -0.452 119.800 120.200 0.086 0.000 2.086 52 E HA -0.081 4.267 4.350 -0.004 0.000 0.190 52 E C 1.885 178.527 176.600 0.069 0.000 0.975 52 E CA 1.310 57.752 56.400 0.071 0.000 0.813 52 E CB -0.334 29.395 29.700 0.049 0.000 0.768 52 E HN 0.286 nan 8.360 nan 0.000 0.457 53 S N 0.288 116.026 115.700 0.063 0.000 2.489 53 S HA 0.020 4.488 4.470 -0.004 0.000 0.228 53 S C 1.092 175.730 174.600 0.065 0.000 0.995 53 S CA -0.043 58.188 58.200 0.051 0.000 0.934 53 S CB -0.148 63.072 63.200 0.034 0.000 0.771 53 S HN 0.027 nan 8.310 nan 0.000 0.522 54 L N 1.855 123.137 121.223 0.099 0.000 2.360 54 L HA 0.400 4.738 4.340 -0.004 0.000 0.271 54 L C -0.163 176.795 176.870 0.146 0.000 1.057 54 L CA -0.788 54.130 54.840 0.129 0.000 0.803 54 L CB 1.021 43.190 42.059 0.182 0.000 1.207 54 L HN 0.158 nan 8.230 nan 0.000 0.445 55 D N 3.027 123.512 120.400 0.141 0.000 2.359 55 D HA 0.106 4.743 4.640 -0.004 0.000 0.250 55 D C 0.254 176.671 176.300 0.196 0.000 1.264 55 D CA 0.105 54.185 54.000 0.134 0.000 0.911 55 D CB 0.500 41.357 40.800 0.094 0.000 1.056 55 D HN 0.298 nan 8.370 nan 0.000 0.499 56 L N 3.436 124.779 121.223 0.200 0.000 2.851 56 L HA 0.348 4.685 4.340 -0.004 0.000 0.237 56 L C 1.316 178.344 176.870 0.262 0.000 1.257 56 L CA -0.724 54.268 54.840 0.254 0.000 1.061 56 L CB 0.074 42.255 42.059 0.204 0.000 1.372 56 L HN 0.282 nan 8.230 nan 0.000 0.493 57 G N -0.877 108.030 108.800 0.177 0.000 2.432 57 G HA2 0.095 4.053 3.960 -0.004 0.000 0.257 57 G HA3 0.095 4.053 3.960 -0.004 0.000 0.257 57 G C 0.357 175.265 174.900 0.012 0.000 1.238 57 G CA -0.404 44.774 45.100 0.129 0.000 0.838 57 G HN 0.130 nan 8.290 nan 0.000 0.547 58 F N 1.622 121.356 119.950 -0.360 0.000 2.046 58 F HA -0.184 4.341 4.527 -0.004 0.000 0.297 58 F C 2.638 178.048 175.800 -0.650 0.000 1.123 58 F CA 2.474 59.843 58.000 -1.051 0.000 1.199 58 F CB -0.257 38.044 39.000 -1.165 0.000 0.972 58 F HN 0.706 nan 8.300 nan 0.000 0.474 59 E N -0.638 119.207 120.200 -0.593 0.000 2.150 59 E HA -0.049 4.299 4.350 -0.004 0.000 0.193 59 E C 2.402 178.742 176.600 -0.433 0.000 0.985 59 E CA 1.215 57.241 56.400 -0.624 0.000 0.814 59 E CB -1.124 28.383 29.700 -0.322 0.000 0.752 59 E HN 0.433 nan 8.360 nan 0.000 0.466 60 G N 1.283 109.920 108.800 -0.270 0.000 2.404 60 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.215 60 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.215 60 G C 1.592 176.399 174.900 -0.155 0.000 1.174 60 G CA 1.029 46.037 45.100 -0.153 0.000 0.780 60 G HN 0.351 nan 8.290 nan 0.000 0.537 61 M N -0.288 119.190 119.600 -0.204 0.000 2.134 61 M HA 0.030 4.508 4.480 -0.004 0.000 0.262 61 M C 2.117 178.190 176.300 -0.380 0.000 1.076 61 M CA 1.499 56.670 55.300 -0.216 0.000 1.143 61 M CB 0.015 32.537 32.600 -0.131 0.000 1.346 61 M HN 0.175 nan 8.290 nan 0.000 0.421 62 C N 0.131 119.058 119.300 -0.622 0.000 2.780 62 C HA 0.270 4.727 4.460 -0.004 0.000 0.267 62 C C 2.290 177.003 174.990 -0.463 0.000 1.266 62 C CA -0.128 58.497 59.018 -0.655 0.000 1.709 62 C CB -0.797 26.252 27.740 -1.152 0.000 1.975 62 C HN 0.609 nan 8.230 nan 0.000 0.582 63 L N -0.104 120.804 121.223 -0.524 0.000 2.445 63 L HA 0.156 4.494 4.340 -0.004 0.000 0.207 63 L C 2.269 179.043 176.870 -0.159 0.000 1.053 63 L CA 0.974 55.647 54.840 -0.278 0.000 0.841 63 L CB -0.480 41.351 42.059 -0.381 0.000 1.074 63 L HN 0.249 nan 8.230 nan 0.000 0.479 64 E N -0.058 120.031 120.200 -0.185 0.000 2.307 64 E HA 0.021 4.368 4.350 -0.004 0.000 0.195 64 E C 0.303 176.846 176.600 -0.095 0.000 0.975 64 E CA 0.045 56.374 56.400 -0.119 0.000 0.878 64 E CB 0.449 30.079 29.700 -0.117 0.000 0.845 64 E HN 0.408 nan 8.360 nan 0.000 0.488 65 Q N 1.330 121.085 119.800 -0.075 0.000 2.349 65 Q HA 0.093 4.430 4.340 -0.004 0.000 0.254 65 Q C -2.002 173.981 176.000 -0.029 0.000 0.980 65 Q CA -1.883 53.914 55.803 -0.008 0.000 0.924 65 Q CB 1.298 30.114 28.738 0.129 0.000 1.209 65 Q HN -0.045 nan 8.270 nan 0.000 0.445 66 P HA -0.246 nan 4.420 nan 0.000 0.216 66 P C 0.782 177.971 177.300 -0.185 0.000 1.154 66 P CA 1.488 64.508 63.100 -0.134 0.000 0.865 66 P CB 0.228 31.828 31.700 -0.165 0.000 0.789 67 I N -1.359 119.121 120.570 -0.149 0.000 2.353 67 I HA -0.114 4.054 4.170 -0.004 0.000 0.248 67 I C 2.466 178.660 176.117 0.129 0.000 1.119 67 I CA 1.483 62.667 61.300 -0.194 0.000 1.417 67 I CB -1.025 36.875 38.000 -0.167 0.000 1.078 67 I HN 0.007 nan 8.210 nan 0.000 0.421 68 G N 0.810 109.749 108.800 0.231 0.000 2.418 68 G HA2 -0.294 3.664 3.960 -0.004 0.000 0.217 68 G HA3 -0.294 3.664 3.960 -0.004 0.000 0.217 68 G C 1.695 176.594 174.900 -0.002 0.000 1.158 68 G CA 0.794 45.908 45.100 0.024 0.000 0.771 68 G HN 0.290 nan 8.290 nan 0.000 0.545 69 K N 0.006 120.388 120.400 -0.029 0.000 2.026 69 K HA -0.075 4.242 4.320 -0.004 0.000 0.208 69 K C 2.717 179.329 176.600 0.019 0.000 1.048 69 K CA 0.790 57.078 56.287 0.002 0.000 0.929 69 K CB -0.096 32.370 32.500 -0.057 0.000 0.713 69 K HN 0.039 nan 8.250 nan 0.000 0.439 70 R N 0.613 121.090 120.500 -0.038 0.000 2.081 70 R HA -0.091 4.247 4.340 -0.004 0.000 0.235 70 R C 2.387 178.792 176.300 0.175 0.000 1.131 70 R CA 1.162 57.249 56.100 -0.021 0.000 0.960 70 R CB -0.647 29.537 30.300 -0.193 0.000 0.856 70 R HN 0.309 nan 8.270 nan 0.000 0.436 71 L N -0.505 120.908 121.223 0.317 0.000 2.093 71 L HA -0.138 4.199 4.340 -0.004 0.000 0.208 71 L C 2.335 179.519 176.870 0.524 0.000 1.085 71 L CA 0.809 55.979 54.840 0.550 0.000 0.755 71 L CB -0.425 42.081 42.059 0.744 0.000 0.904 71 L HN 0.038 nan 8.230 nan 0.000 0.435 72 F N 0.815 120.839 119.950 0.124 0.000 2.146 72 F HA -0.202 4.323 4.527 -0.004 0.000 0.298 72 F C 2.573 178.426 175.800 0.088 0.000 1.096 72 F CA 1.522 59.440 58.000 -0.138 0.000 1.275 72 F CB -0.290 38.473 39.000 -0.396 0.000 1.008 72 F HN 0.040 nan 8.300 nan 0.000 0.480 73 Q N -0.243 119.557 119.800 -0.001 0.000 2.124 73 Q HA -0.237 4.101 4.340 -0.004 0.000 0.202 73 Q C 2.229 178.161 176.000 -0.112 0.000 0.977 73 Q CA 1.805 57.525 55.803 -0.139 0.000 0.850 73 Q CB -0.286 28.345 28.738 -0.178 0.000 0.901 73 Q HN 0.585 nan 8.270 nan 0.000 0.429 74 Q N -0.200 119.594 119.800 -0.009 0.000 2.050 74 Q HA -0.192 4.145 4.340 -0.004 0.000 0.202 74 Q C 1.896 177.733 176.000 -0.273 0.000 0.980 74 Q CA 1.416 57.204 55.803 -0.026 0.000 0.840 74 Q CB -0.259 28.591 28.738 0.188 0.000 0.898 74 Q HN 0.325 nan 8.270 nan 0.000 0.424 75 F N 1.467 121.050 119.950 -0.611 0.000 2.091 75 F HA -0.251 4.274 4.527 -0.004 0.000 0.299 75 F C 1.714 177.411 175.800 -0.172 0.000 1.103 75 F CA 1.451 59.060 58.000 -0.652 0.000 1.228 75 F CB -0.263 38.602 39.000 -0.224 0.000 0.984 75 F HN -0.032 nan 8.300 nan 0.000 0.477 76 L N -0.233 120.731 121.223 -0.432 0.000 2.046 76 L HA -0.201 4.136 4.340 -0.004 0.000 0.208 76 L C 2.663 179.403 176.870 -0.216 0.000 1.077 76 L CA 1.551 56.156 54.840 -0.392 0.000 0.747 76 L CB -0.767 41.094 42.059 -0.331 0.000 0.896 76 L HN 0.042 nan 8.230 nan 0.000 0.432 77 R N -0.024 120.375 120.500 -0.168 0.000 2.103 77 R HA -0.152 4.185 4.340 -0.004 0.000 0.242 77 R C 2.217 178.448 176.300 -0.115 0.000 1.142 77 R CA 2.059 58.098 56.100 -0.102 0.000 0.960 77 R CB -0.548 29.713 30.300 -0.064 0.000 0.858 77 R HN 0.506 nan 8.270 nan 0.000 0.439 78 T N -2.971 111.489 114.554 -0.158 0.000 3.148 78 T HA 0.023 4.370 4.350 -0.004 0.000 0.253 78 T C -0.070 174.371 174.700 -0.433 0.000 1.134 78 T CA 0.319 62.287 62.100 -0.219 0.000 1.051 78 T CB -0.089 68.675 68.868 -0.173 0.000 0.959 78 T HN 0.179 nan 8.240 nan 0.000 0.525 79 H N 1.054 119.940 119.070 -0.307 0.000 2.697 79 H HA 0.398 4.952 4.556 -0.004 0.000 0.270 79 H C 1.088 176.260 175.328 -0.260 0.000 1.188 79 H CA -0.641 55.208 56.048 -0.333 0.000 1.322 79 H CB 1.074 30.500 29.762 -0.559 0.000 1.405 79 H HN 0.248 nan 8.280 nan 0.000 0.502 80 E N 2.623 122.748 120.200 -0.125 0.000 2.164 80 E HA -0.345 4.002 4.350 -0.004 0.000 0.206 80 E C 1.804 178.365 176.600 -0.067 0.000 1.032 80 E CA 1.870 58.224 56.400 -0.078 0.000 0.832 80 E CB 0.306 29.967 29.700 -0.066 0.000 0.742 80 E HN 0.766 nan 8.360 nan 0.000 0.460 81 Q N -0.508 119.208 119.800 -0.140 0.000 2.226 81 Q HA -0.194 4.144 4.340 -0.004 0.000 0.204 81 Q C 0.973 176.935 176.000 -0.064 0.000 0.975 81 Q CA 1.388 57.105 55.803 -0.143 0.000 0.866 81 Q CB -0.275 28.314 28.738 -0.248 0.000 0.915 81 Q HN 0.527 nan 8.270 nan 0.000 0.440 82 H N 0.086 119.141 119.070 -0.025 0.000 2.551 82 H HA 0.274 4.828 4.556 -0.004 0.000 0.271 82 H C 1.897 177.209 175.328 -0.028 0.000 0.984 82 H CA 0.344 56.363 56.048 -0.049 0.000 1.164 82 H CB 0.085 29.750 29.762 -0.162 0.000 1.437 82 H HN 0.432 nan 8.280 nan 0.000 0.550 83 G N 2.519 111.372 108.800 0.088 0.000 2.514 83 G HA2 -0.231 3.727 3.960 -0.004 0.000 0.217 83 G HA3 -0.231 3.727 3.960 -0.004 0.000 0.217 83 G C -0.575 174.397 174.900 0.119 0.000 1.198 83 G CA 0.436 45.580 45.100 0.073 0.000 0.780 83 G HN 0.340 nan 8.290 nan 0.000 0.565 84 P HA -0.123 nan 4.420 nan 0.000 0.215 84 P C 2.270 179.666 177.300 0.160 0.000 1.157 84 P CA 2.257 65.486 63.100 0.215 0.000 0.874 84 P CB -0.257 31.574 31.700 0.218 0.000 0.790 85 A N -0.651 122.292 122.820 0.204 0.000 1.865 85 A HA -0.223 4.095 4.320 -0.004 0.000 0.217 85 A C 2.186 179.842 177.584 0.120 0.000 1.191 85 A CA 1.899 54.030 52.037 0.157 0.000 0.623 85 A CB -1.751 17.251 19.000 0.003 0.000 0.826 85 A HN 0.177 nan 8.150 nan 0.000 0.444 86 L N -0.642 120.651 121.223 0.116 0.000 2.012 86 L HA -0.201 4.136 4.340 -0.004 0.000 0.210 86 L C 2.395 179.316 176.870 0.085 0.000 1.073 86 L CA 2.364 57.290 54.840 0.143 0.000 0.748 86 L CB -0.724 41.359 42.059 0.039 0.000 0.891 86 L HN 0.377 nan 8.230 nan 0.000 0.431 87 Q N -0.813 119.006 119.800 0.032 0.000 2.119 87 Q HA -0.138 4.199 4.340 -0.004 0.000 0.201 87 Q C 2.272 178.139 176.000 -0.222 0.000 0.972 87 Q CA 1.576 57.384 55.803 0.009 0.000 0.847 87 Q CB -0.628 28.219 28.738 0.182 0.000 0.903 87 Q HN 0.516 nan 8.270 nan 0.000 0.433 88 L N -0.048 120.821 121.223 -0.590 0.000 2.017 88 L HA -0.148 4.190 4.340 -0.004 0.000 0.208 88 L C 2.025 178.778 176.870 -0.195 0.000 1.073 88 L CA 1.692 56.031 54.840 -0.835 0.000 0.745 88 L CB -0.714 40.892 42.059 -0.755 0.000 0.894 88 L HN 0.286 nan 8.230 nan 0.000 0.432 89 W N 1.116 122.287 121.300 -0.214 0.000 2.317 89 W HA -0.266 4.392 4.660 -0.004 0.000 0.318 89 W C 2.468 178.942 176.519 -0.076 0.000 1.227 89 W CA 2.283 59.568 57.345 -0.100 0.000 1.269 89 W CB -0.561 28.869 29.460 -0.051 0.000 1.155 89 W HN 0.140 nan 8.180 nan 0.000 0.484 90 K N -0.515 119.886 120.400 0.001 0.000 2.148 90 K HA -0.154 4.163 4.320 -0.004 0.000 0.204 90 K C 1.596 178.185 176.600 -0.018 0.000 1.050 90 K CA 1.671 57.889 56.287 -0.116 0.000 0.942 90 K CB -0.297 32.126 32.500 -0.128 0.000 0.724 90 K HN -0.024 nan 8.250 nan 0.000 0.446 91 D N 0.693 121.091 120.400 -0.004 0.000 2.149 91 D HA -0.054 4.583 4.640 -0.004 0.000 0.201 91 D C 1.736 178.065 176.300 0.047 0.000 0.972 91 D CA 0.804 54.824 54.000 0.034 0.000 0.835 91 D CB -0.011 40.835 40.800 0.076 0.000 0.966 91 D HN 0.133 nan 8.370 nan 0.000 0.476 92 I N 1.017 121.595 120.570 0.012 0.000 2.226 92 I HA -0.227 3.940 4.170 -0.004 0.000 0.245 92 I C 2.148 178.394 176.117 0.215 0.000 1.100 92 I CA 1.125 62.480 61.300 0.092 0.000 1.374 92 I CB -0.181 37.872 38.000 0.089 0.000 1.057 92 I HN 0.011 nan 8.210 nan 0.000 0.413 93 E N 0.520 120.819 120.200 0.164 0.000 2.077 93 E HA -0.289 4.059 4.350 -0.004 0.000 0.193 93 E C 1.669 178.335 176.600 0.109 0.000 0.989 93 E CA 1.719 58.196 56.400 0.129 0.000 0.800 93 E CB -0.152 29.574 29.700 0.042 0.000 0.746 93 E HN 0.493 nan 8.360 nan 0.000 0.452 94 D N -0.289 120.170 120.400 0.098 0.000 2.144 94 D HA -0.203 4.434 4.640 -0.004 0.000 0.200 94 D C 1.840 178.223 176.300 0.139 0.000 0.978 94 D CA 0.804 54.859 54.000 0.091 0.000 0.833 94 D CB -0.062 40.784 40.800 0.078 0.000 0.961 94 D HN 0.161 nan 8.370 nan 0.000 0.470 95 Y N 1.057 121.414 120.300 0.095 0.000 2.133 95 Y HA -0.138 4.410 4.550 -0.004 0.000 0.287 95 Y C 1.720 177.708 175.900 0.147 0.000 1.134 95 Y CA 1.894 60.084 58.100 0.150 0.000 1.133 95 Y CB -0.366 38.244 38.460 0.250 0.000 0.987 95 Y HN -0.085 nan 8.280 nan 0.000 0.502 96 D N -0.557 119.984 120.400 0.235 0.000 2.172 96 D HA -0.180 4.458 4.640 -0.004 0.000 0.196 96 D C 1.865 178.172 176.300 0.011 0.000 0.999 96 D CA 2.136 56.214 54.000 0.129 0.000 0.856 96 D CB -0.539 40.373 40.800 0.186 0.000 0.934 96 D HN 0.545 nan 8.370 nan 0.000 0.453 97 T N -2.828 111.734 114.554 0.012 0.000 3.134 97 T HA 0.591 4.939 4.350 -0.004 0.000 0.260 97 T C 0.523 175.205 174.700 -0.029 0.000 1.027 97 T CA -0.270 61.829 62.100 -0.001 0.000 0.913 97 T CB 0.260 69.139 68.868 0.019 0.000 1.046 97 T HN 0.076 nan 8.240 nan 0.000 0.553 98 A N 1.264 124.038 122.820 -0.078 0.000 2.272 98 A HA 0.566 4.884 4.320 -0.004 0.000 0.275 98 A C -0.105 177.432 177.584 -0.078 0.000 1.096 98 A CA -0.681 51.314 52.037 -0.070 0.000 0.822 98 A CB 0.146 19.099 19.000 -0.078 0.000 1.088 98 A HN 0.422 nan 8.150 nan 0.000 0.495 99 D N 0.415 120.788 120.400 -0.045 0.000 2.399 99 D HA 0.067 4.705 4.640 -0.004 0.000 0.241 99 D C 0.707 176.979 176.300 -0.047 0.000 1.133 99 D CA -0.092 53.886 54.000 -0.036 0.000 0.890 99 D CB 0.551 41.341 40.800 -0.017 0.000 1.201 99 D HN 0.492 nan 8.370 nan 0.000 0.432 100 D N 1.161 121.539 120.400 -0.037 0.000 2.158 100 D HA -0.202 4.435 4.640 -0.004 0.000 0.197 100 D C 1.665 177.959 176.300 -0.011 0.000 0.995 100 D CA 1.370 55.352 54.000 -0.030 0.000 0.846 100 D CB 0.192 40.983 40.800 -0.016 0.000 0.941 100 D HN 0.450 nan 8.370 nan 0.000 0.456 101 A N 0.616 123.433 122.820 -0.004 0.000 1.930 101 A HA -0.094 4.223 4.320 -0.004 0.000 0.217 101 A C 2.274 179.870 177.584 0.020 0.000 1.175 101 A CA 0.827 52.869 52.037 0.008 0.000 0.627 101 A CB -0.510 18.493 19.000 0.005 0.000 0.815 101 A HN 0.184 nan 8.150 nan 0.000 0.443 102 L N -1.164 120.069 121.223 0.016 0.000 2.509 102 L HA 0.039 4.377 4.340 -0.004 0.000 0.222 102 L C 2.538 179.451 176.870 0.071 0.000 1.123 102 L CA 0.099 54.961 54.840 0.037 0.000 0.856 102 L CB -0.183 41.892 42.059 0.027 0.000 0.985 102 L HN 0.316 nan 8.230 nan 0.000 0.456 103 R N 0.421 120.952 120.500 0.053 0.000 2.070 103 R HA -0.131 4.207 4.340 -0.004 0.000 0.233 103 R C -0.350 176.130 176.300 0.300 0.000 1.137 103 R CA 1.308 57.486 56.100 0.130 0.000 0.945 103 R CB -1.734 28.544 30.300 -0.036 0.000 0.845 103 R HN 0.272 nan 8.270 nan 0.000 0.430 104 P HA -0.242 nan 4.420 nan 0.000 0.216 104 P C 1.300 178.694 177.300 0.156 0.000 1.154 104 P CA 1.339 64.535 63.100 0.160 0.000 0.865 104 P CB -0.111 31.646 31.700 0.096 0.000 0.789 105 Q N 0.245 120.126 119.800 0.135 0.000 2.079 105 Q HA -0.163 4.174 4.340 -0.004 0.000 0.200 105 Q C 1.901 177.986 176.000 0.142 0.000 0.974 105 Q CA 1.683 57.553 55.803 0.113 0.000 0.840 105 Q CB -0.300 28.488 28.738 0.084 0.000 0.898 105 Q HN 0.231 nan 8.270 nan 0.000 0.430 106 K N 0.012 120.536 120.400 0.207 0.000 2.097 106 K HA -0.051 4.267 4.320 -0.004 0.000 0.205 106 K C 2.150 178.898 176.600 0.247 0.000 1.050 106 K CA 0.950 57.385 56.287 0.246 0.000 0.938 106 K CB -0.133 32.575 32.500 0.345 0.000 0.718 106 K HN 0.210 nan 8.250 nan 0.000 0.442 107 A N 1.466 124.474 122.820 0.312 0.000 1.883 107 A HA -0.292 4.026 4.320 -0.004 0.000 0.217 107 A C 2.154 179.848 177.584 0.185 0.000 1.186 107 A CA 1.753 53.946 52.037 0.260 0.000 0.624 107 A CB -0.631 18.495 19.000 0.210 0.000 0.822 107 A HN 0.358 nan 8.150 nan 0.000 0.444 108 Q N -0.837 119.045 119.800 0.137 0.000 2.084 108 Q HA -0.089 4.249 4.340 -0.004 0.000 0.202 108 Q C 2.187 178.218 176.000 0.051 0.000 0.978 108 Q CA 1.581 57.435 55.803 0.085 0.000 0.844 108 Q CB -0.350 28.428 28.738 0.067 0.000 0.898 108 Q HN 0.624 nan 8.270 nan 0.000 0.426 109 A N 0.441 123.291 122.820 0.050 0.000 1.933 109 A HA -0.176 4.142 4.320 -0.004 0.000 0.218 109 A C 1.959 179.525 177.584 -0.029 0.000 1.175 109 A CA 1.232 53.274 52.037 0.008 0.000 0.628 109 A CB -0.714 18.301 19.000 0.024 0.000 0.814 109 A HN 0.477 nan 8.150 nan 0.000 0.444 110 L N -0.127 121.100 121.223 0.007 0.000 1.989 110 L HA -0.158 4.180 4.340 -0.004 0.000 0.211 110 L C 2.514 179.395 176.870 0.019 0.000 1.071 110 L CA 2.159 57.010 54.840 0.017 0.000 0.749 110 L CB -0.515 41.418 42.059 -0.210 0.000 0.890 110 L HN 0.356 nan 8.230 nan 0.000 0.431 111 R N -0.739 119.775 120.500 0.023 0.000 2.120 111 R HA -0.081 4.257 4.340 -0.004 0.000 0.234 111 R C 2.222 178.524 176.300 0.004 0.000 1.123 111 R CA 1.186 57.316 56.100 0.050 0.000 0.975 111 R CB -0.610 29.740 30.300 0.083 0.000 0.866 111 R HN 0.529 nan 8.270 nan 0.000 0.446 112 A N 0.930 123.728 122.820 -0.036 0.000 1.929 112 A HA 0.012 4.330 4.320 -0.004 0.000 0.216 112 A C 2.302 179.801 177.584 -0.141 0.000 1.176 112 A CA 1.374 53.371 52.037 -0.067 0.000 0.628 112 A CB -0.508 18.458 19.000 -0.057 0.000 0.816 112 A HN 0.364 nan 8.150 nan 0.000 0.444 113 A N -1.352 121.298 122.820 -0.284 0.000 1.873 113 A HA 0.039 4.357 4.320 -0.004 0.000 0.215 113 A C 1.953 179.201 177.584 -0.561 0.000 1.186 113 A CA 1.585 53.269 52.037 -0.588 0.000 0.616 113 A CB -0.559 17.785 19.000 -1.094 0.000 0.823 113 A HN 0.631 nan 8.150 nan 0.000 0.442 114 Y N -1.622 118.691 120.300 0.022 0.000 2.483 114 Y HA 0.362 4.909 4.550 -0.004 0.000 0.258 114 Y C 1.476 177.436 175.900 0.101 0.000 1.083 114 Y CA -0.109 58.010 58.100 0.031 0.000 1.283 114 Y CB 0.328 38.764 38.460 -0.040 0.000 1.178 114 Y HN 0.055 nan 8.280 nan 0.000 0.515 115 L N 0.716 122.059 121.223 0.201 0.000 2.628 115 L HA 0.198 4.535 4.340 -0.004 0.000 0.229 115 L C -0.267 176.702 176.870 0.164 0.000 1.137 115 L CA 0.318 55.275 54.840 0.195 0.000 0.909 115 L CB -0.003 42.126 42.059 0.116 0.000 1.137 115 L HN 0.128 nan 8.230 nan 0.000 0.470 116 E N 0.319 120.583 120.200 0.107 0.000 2.171 116 E HA 0.226 4.574 4.350 -0.004 0.000 0.271 116 E C -1.901 174.442 176.600 -0.428 0.000 0.916 116 E CA -2.025 54.310 56.400 -0.108 0.000 0.774 116 E CB 1.894 31.544 29.700 -0.083 0.000 1.128 116 E HN -0.188 nan 8.360 nan 0.000 0.403 117 P HA -0.236 nan 4.420 nan 0.000 0.217 117 P C 1.139 178.101 177.300 -0.565 0.000 1.151 117 P CA 1.427 63.866 63.100 -1.102 0.000 0.849 117 P CB 0.288 31.634 31.700 -0.590 0.000 0.787 118 Q N -0.935 118.684 119.800 -0.303 0.000 2.230 118 Q HA 0.044 4.381 4.340 -0.004 0.000 0.202 118 Q C 1.074 177.022 176.000 -0.087 0.000 0.963 118 Q CA 0.553 56.264 55.803 -0.154 0.000 0.866 118 Q CB -0.468 28.202 28.738 -0.114 0.000 0.931 118 Q HN 0.183 nan 8.270 nan 0.000 0.452 119 A N 1.049 123.827 122.820 -0.069 0.000 2.445 119 A HA -0.014 4.303 4.320 -0.004 0.000 0.242 119 A C 1.104 178.714 177.584 0.043 0.000 1.075 119 A CA -0.045 51.983 52.037 -0.015 0.000 0.777 119 A CB 0.491 19.482 19.000 -0.015 0.000 1.013 119 A HN 0.193 nan 8.150 nan 0.000 0.493 120 Q N 1.076 120.887 119.800 0.017 0.000 2.084 120 Q HA -0.057 4.280 4.340 -0.004 0.000 0.202 120 Q C 0.721 176.769 176.000 0.080 0.000 0.978 120 Q CA 1.749 57.575 55.803 0.039 0.000 0.844 120 Q CB -0.257 28.488 28.738 0.012 0.000 0.898 120 Q HN 0.745 nan 8.270 nan 0.000 0.426 121 L N 1.143 122.407 121.223 0.068 0.000 2.928 121 L HA 0.246 4.583 4.340 -0.004 0.000 0.236 121 L C -0.182 176.819 176.870 0.218 0.000 1.290 121 L CA -0.902 54.024 54.840 0.143 0.000 1.099 121 L CB -0.295 41.859 42.059 0.157 0.000 1.437 121 L HN 0.175 nan 8.230 nan 0.000 0.493 122 F N 0.714 120.687 119.950 0.039 0.000 2.572 122 F HA -0.014 4.510 4.527 -0.004 0.000 0.370 122 F C 0.497 176.305 175.800 0.014 0.000 1.103 122 F CA -0.504 57.505 58.000 0.017 0.000 1.286 122 F CB 0.476 39.464 39.000 -0.019 0.000 1.105 122 F HN -0.005 nan 8.300 nan 0.000 0.583 123 C N 6.826 125.559 119.300 -0.945 0.000 2.203 123 C HA 0.197 4.655 4.460 -0.004 0.000 0.413 123 C C 1.728 175.769 174.990 -1.581 0.000 1.054 123 C CA -0.268 58.123 59.018 -1.046 0.000 1.496 123 C CB -1.397 25.813 27.740 -0.884 0.000 1.573 123 C HN 1.034 nan 8.230 nan 0.000 0.498 124 S N 2.288 117.210 115.700 -1.297 0.000 2.380 124 S HA -0.257 4.211 4.470 -0.004 0.000 0.229 124 S C 1.472 175.779 174.600 -0.490 0.000 1.043 124 S CA 2.141 59.898 58.200 -0.737 0.000 1.038 124 S CB -0.392 62.685 63.200 -0.205 0.000 0.872 124 S HN 0.920 nan 8.310 nan 0.000 0.456 125 F N 1.430 121.153 119.950 -0.378 0.000 2.373 125 F HA 0.144 4.669 4.527 -0.004 0.000 0.300 125 F C 0.637 176.261 175.800 -0.294 0.000 1.080 125 F CA 0.003 57.780 58.000 -0.372 0.000 1.417 125 F CB -1.031 37.483 39.000 -0.809 0.000 1.070 125 F HN 0.031 nan 8.300 nan 0.000 0.546 126 L N 1.404 122.167 121.223 -0.765 0.000 2.452 126 L HA 0.101 4.438 4.340 -0.004 0.000 0.267 126 L C 0.538 177.303 176.870 -0.176 0.000 1.188 126 L CA -0.470 54.116 54.840 -0.423 0.000 0.821 126 L CB 0.060 41.808 42.059 -0.519 0.000 1.102 126 L HN -0.008 nan 8.230 nan 0.000 0.470 127 D N 0.774 121.126 120.400 -0.081 0.000 2.400 127 D HA 0.031 4.668 4.640 -0.004 0.000 0.238 127 D C 0.717 177.005 176.300 -0.021 0.000 1.157 127 D CA 0.435 54.417 54.000 -0.031 0.000 0.889 127 D CB 1.324 42.118 40.800 -0.010 0.000 1.199 127 D HN 0.645 nan 8.370 nan 0.000 0.436 128 A N 2.580 125.400 122.820 0.000 0.000 1.902 128 A HA -0.212 4.105 4.320 -0.004 0.000 0.217 128 A C 1.816 179.405 177.584 0.008 0.000 1.181 128 A CA 1.444 53.488 52.037 0.011 0.000 0.623 128 A CB -0.386 18.621 19.000 0.013 0.000 0.818 128 A HN 0.675 nan 8.150 nan 0.000 0.443 129 E N -0.965 119.238 120.200 0.005 0.000 2.106 129 E HA -0.118 4.229 4.350 -0.004 0.000 0.192 129 E C 2.023 178.628 176.600 0.008 0.000 0.984 129 E CA 1.526 57.930 56.400 0.006 0.000 0.806 129 E CB -0.298 29.406 29.700 0.006 0.000 0.750 129 E HN 0.600 nan 8.360 nan 0.000 0.458 130 T N 0.883 115.439 114.554 0.004 0.000 2.857 130 T HA -0.087 4.261 4.350 -0.004 0.000 0.266 130 T C 2.136 176.845 174.700 0.014 0.000 1.048 130 T CA 0.733 62.838 62.100 0.007 0.000 1.139 130 T CB -0.089 68.776 68.868 -0.004 0.000 0.874 130 T HN -0.032 nan 8.240 nan 0.000 0.455 131 V N 1.812 121.731 119.914 0.008 0.000 2.343 131 V HA -0.178 3.939 4.120 -0.004 0.000 0.247 131 V C 2.879 178.995 176.094 0.037 0.000 1.051 131 V CA 1.682 63.999 62.300 0.027 0.000 1.036 131 V CB -1.243 30.604 31.823 0.041 0.000 0.654 131 V HN 0.518 nan 8.190 nan 0.000 0.451 132 A N 0.310 123.145 122.820 0.025 0.000 1.851 132 A HA -0.316 4.001 4.320 -0.004 0.000 0.216 132 A C 2.381 179.978 177.584 0.022 0.000 1.195 132 A CA 2.456 54.505 52.037 0.021 0.000 0.622 132 A CB -0.656 18.352 19.000 0.012 0.000 0.831 132 A HN 0.504 nan 8.150 nan 0.000 0.444 133 R N -0.423 120.090 120.500 0.020 0.000 2.083 133 R HA -0.132 4.206 4.340 -0.004 0.000 0.237 133 R C 2.260 178.573 176.300 0.022 0.000 1.137 133 R CA 1.773 57.882 56.100 0.015 0.000 0.951 133 R CB -0.508 29.800 30.300 0.013 0.000 0.851 133 R HN 0.439 nan 8.270 nan 0.000 0.434 134 A N 0.775 123.630 122.820 0.058 0.000 1.972 134 A HA -0.138 4.179 4.320 -0.004 0.000 0.219 134 A C 2.111 179.766 177.584 0.119 0.000 1.169 134 A CA 1.342 53.452 52.037 0.122 0.000 0.635 134 A CB -0.439 18.677 19.000 0.194 0.000 0.810 134 A HN 0.350 nan 8.150 nan 0.000 0.446 135 R N -0.425 120.123 120.500 0.079 0.000 2.148 135 R HA 0.086 4.423 4.340 -0.004 0.000 0.223 135 R C 0.909 177.223 176.300 0.024 0.000 1.088 135 R CA 0.633 56.770 56.100 0.060 0.000 0.985 135 R CB -0.368 29.959 30.300 0.044 0.000 0.880 135 R HN 0.457 nan 8.270 nan 0.000 0.451 136 A N 1.140 123.963 122.820 0.006 0.000 2.404 136 A HA 0.499 4.817 4.320 -0.004 0.000 0.273 136 A C 0.631 178.192 177.584 -0.038 0.000 1.144 136 A CA 0.573 52.603 52.037 -0.011 0.000 0.806 136 A CB 0.222 19.217 19.000 -0.009 0.000 1.080 136 A HN 0.456 nan 8.150 nan 0.000 0.509 137 G N 0.808 109.587 108.800 -0.035 0.000 2.512 137 G HA2 0.530 4.488 3.960 -0.004 0.000 0.210 137 G HA3 0.530 4.488 3.960 -0.004 0.000 0.210 137 G C -0.133 174.729 174.900 -0.063 0.000 1.295 137 G CA -0.136 44.937 45.100 -0.046 0.000 0.934 137 G HN 2.769 nan 8.290 nan 0.000 0.554 138 A N -1.274 121.507 122.820 -0.065 0.000 2.549 138 A HA 0.989 5.307 4.320 -0.004 0.000 0.306 138 A C 0.087 177.654 177.584 -0.029 0.000 1.053 138 A CA 1.055 53.062 52.037 -0.051 0.000 0.892 138 A CB 0.823 19.821 19.000 -0.003 0.000 1.329 138 A HN 2.803 nan 8.150 nan 0.000 0.388 139 G N 0.290 109.076 108.800 -0.023 0.000 2.576 139 G HA2 0.500 4.457 3.960 -0.004 0.000 0.290 139 G HA3 0.500 4.457 3.960 -0.004 0.000 0.290 139 G C -0.267 174.660 174.900 0.045 0.000 1.442 139 G CA -0.001 45.101 45.100 0.003 0.000 0.792 139 G HN 0.330 nan 8.290 nan 0.000 0.491 140 D N 0.014 120.442 120.400 0.046 0.000 2.104 140 D HA -0.076 4.562 4.640 -0.004 0.000 0.194 140 D C 1.983 178.340 176.300 0.095 0.000 0.994 140 D CA 1.925 55.964 54.000 0.065 0.000 0.830 140 D CB -0.017 40.817 40.800 0.055 0.000 0.959 140 D HN 0.508 nan 8.370 nan 0.000 0.452 141 G N 0.672 109.509 108.800 0.063 0.000 4.178 141 G HA2 0.188 4.145 3.960 -0.004 0.000 0.287 141 G HA3 0.188 4.145 3.960 -0.004 0.000 0.287 141 G C 1.005 175.908 174.900 0.005 0.000 1.293 141 G CA -0.325 44.817 45.100 0.070 0.000 1.393 141 G HN 0.075 nan 8.290 nan 0.000 0.623 142 L N -0.425 120.758 121.223 -0.067 0.000 2.083 142 L HA 0.210 4.548 4.340 -0.004 0.000 0.209 142 L C 1.423 177.988 176.870 -0.508 0.000 1.083 142 L CA 1.656 56.263 54.840 -0.388 0.000 0.752 142 L CB -0.477 41.158 42.059 -0.707 0.000 0.899 142 L HN 0.358 nan 8.230 nan 0.000 0.433 143 F N -1.742 118.215 119.950 0.012 0.000 2.654 143 F HA 0.182 4.707 4.527 -0.004 0.000 0.303 143 F C 1.910 177.730 175.800 0.032 0.000 1.099 143 F CA -0.475 57.518 58.000 -0.010 0.000 1.270 143 F CB 0.060 39.025 39.000 -0.057 0.000 1.024 143 F HN 0.019 nan 8.300 nan 0.000 0.548 144 Q N 0.764 120.661 119.800 0.162 0.000 2.050 144 Q HA -0.104 4.233 4.340 -0.004 0.000 0.202 144 Q C -0.555 175.497 176.000 0.087 0.000 0.980 144 Q CA 1.475 57.350 55.803 0.120 0.000 0.840 144 Q CB -1.838 26.951 28.738 0.086 0.000 0.898 144 Q HN 0.302 nan 8.270 nan 0.000 0.424 145 P HA -0.149 nan 4.420 nan 0.000 0.215 145 P C 1.616 178.955 177.300 0.065 0.000 1.153 145 P CA 0.819 63.951 63.100 0.053 0.000 0.853 145 P CB -0.113 31.610 31.700 0.039 0.000 0.788 146 L N -0.987 120.299 121.223 0.105 0.000 2.046 146 L HA -0.128 4.210 4.340 -0.004 0.000 0.208 146 L C 2.174 179.084 176.870 0.066 0.000 1.077 146 L CA 1.671 56.570 54.840 0.098 0.000 0.747 146 L CB -1.567 40.589 42.059 0.162 0.000 0.896 146 L HN -0.123 nan 8.230 nan 0.000 0.432 147 L N -0.380 120.891 121.223 0.081 0.000 2.017 147 L HA -0.204 4.134 4.340 -0.004 0.000 0.208 147 L C 2.691 179.552 176.870 -0.015 0.000 1.073 147 L CA 1.710 56.573 54.840 0.038 0.000 0.745 147 L CB -0.707 41.403 42.059 0.084 0.000 0.894 147 L HN 0.240 nan 8.230 nan 0.000 0.432 148 R N -0.886 119.619 120.500 0.009 0.000 2.103 148 R HA -0.196 4.141 4.340 -0.004 0.000 0.242 148 R C 2.163 178.457 176.300 -0.010 0.000 1.142 148 R CA 1.493 57.589 56.100 -0.008 0.000 0.960 148 R CB -0.527 29.778 30.300 0.008 0.000 0.858 148 R HN 0.565 nan 8.270 nan 0.000 0.439 149 A N 0.188 123.018 122.820 0.018 0.000 1.872 149 A HA -0.087 4.231 4.320 -0.004 0.000 0.214 149 A C 2.308 179.938 177.584 0.077 0.000 1.187 149 A CA 1.161 53.227 52.037 0.047 0.000 0.614 149 A CB -0.480 18.555 19.000 0.059 0.000 0.826 149 A HN 0.130 nan 8.150 nan 0.000 0.442 150 V N 0.351 120.305 119.914 0.067 0.000 2.287 150 V HA -0.282 3.835 4.120 -0.004 0.000 0.248 150 V C 2.559 178.565 176.094 -0.147 0.000 1.053 150 V CA 2.127 64.452 62.300 0.043 0.000 1.027 150 V CB -0.742 31.064 31.823 -0.028 0.000 0.646 150 V HN 0.572 nan 8.190 nan 0.000 0.447 151 L N -0.345 120.751 121.223 -0.213 0.000 2.156 151 L HA -0.074 4.264 4.340 -0.004 0.000 0.208 151 L C 2.678 179.442 176.870 -0.177 0.000 1.095 151 L CA 1.180 55.864 54.840 -0.260 0.000 0.770 151 L CB -0.775 41.137 42.059 -0.245 0.000 0.914 151 L HN 0.362 nan 8.230 nan 0.000 0.439 152 A N -0.065 122.685 122.820 -0.118 0.000 1.877 152 A HA -0.296 4.022 4.320 -0.004 0.000 0.216 152 A C 2.144 179.621 177.584 -0.180 0.000 1.186 152 A CA 1.940 53.906 52.037 -0.119 0.000 0.620 152 A CB -0.828 18.146 19.000 -0.043 0.000 0.822 152 A HN 0.519 nan 8.150 nan 0.000 0.443 153 H N 0.017 118.941 119.070 -0.244 0.000 2.352 153 H HA -0.033 4.521 4.556 -0.004 0.000 0.299 153 H C 1.660 176.726 175.328 -0.438 0.000 1.097 153 H CA 1.978 57.827 56.048 -0.331 0.000 1.311 153 H CB -0.329 29.149 29.762 -0.473 0.000 1.377 153 H HN 0.349 nan 8.280 nan 0.000 0.504 154 L N -0.499 120.372 121.223 -0.587 0.000 2.201 154 L HA -0.048 4.289 4.340 -0.004 0.000 0.212 154 L C 2.608 178.933 176.870 -0.909 0.000 1.105 154 L CA 0.981 55.452 54.840 -0.614 0.000 0.775 154 L CB -0.544 41.334 42.059 -0.302 0.000 0.913 154 L HN 0.521 nan 8.230 nan 0.000 0.440 155 G N -1.341 106.727 108.800 -1.220 0.000 2.679 155 G HA2 -0.083 3.874 3.960 -0.004 0.000 0.212 155 G HA3 -0.083 3.874 3.960 -0.004 0.000 0.212 155 G C 1.260 175.793 174.900 -0.612 0.000 1.137 155 G CA 0.083 44.255 45.100 -1.547 0.000 0.787 155 G HN 0.240 nan 8.290 nan 0.000 0.534 156 Q N 0.187 119.717 119.800 -0.449 0.000 3.050 156 Q HA 0.438 4.775 4.340 -0.004 0.000 0.256 156 Q C 2.688 178.565 176.000 -0.206 0.000 1.161 156 Q CA 0.350 56.002 55.803 -0.251 0.000 0.329 156 Q CB -1.025 27.588 28.738 -0.208 0.000 5.721 156 Q HN 0.094 nan 8.270 nan 0.000 0.326 157 A N 2.020 124.722 122.820 -0.197 0.000 1.869 157 A HA -0.187 4.131 4.320 -0.004 0.000 0.218 157 A C -0.445 177.086 177.584 -0.088 0.000 1.203 157 A CA 2.444 54.413 52.037 -0.114 0.000 0.638 157 A CB -2.017 16.947 19.000 -0.060 0.000 0.831 157 A HN 0.385 nan 8.150 nan 0.000 0.450 158 P HA -0.175 nan 4.420 nan 0.000 0.216 158 P C 1.478 178.900 177.300 0.203 0.000 1.153 158 P CA 1.282 64.313 63.100 -0.114 0.000 0.858 158 P CB -0.189 31.210 31.700 -0.503 0.000 0.789 159 F N 0.666 120.549 119.950 -0.111 0.000 2.171 159 F HA -0.176 4.349 4.527 -0.004 0.000 0.300 159 F C 2.064 177.811 175.800 -0.089 0.000 1.090 159 F CA 1.546 59.460 58.000 -0.143 0.000 1.293 159 F CB -0.899 37.794 39.000 -0.512 0.000 1.013 159 F HN -0.138 nan 8.300 nan 0.000 0.486 160 Q N 0.569 120.234 119.800 -0.226 0.000 2.119 160 Q HA -0.179 4.158 4.340 -0.004 0.000 0.201 160 Q C 2.151 178.015 176.000 -0.227 0.000 0.972 160 Q CA 1.807 57.426 55.803 -0.308 0.000 0.847 160 Q CB -0.544 28.081 28.738 -0.188 0.000 0.903 160 Q HN 0.588 nan 8.270 nan 0.000 0.433 161 E N 0.027 120.174 120.200 -0.088 0.000 2.077 161 E HA -0.162 4.185 4.350 -0.004 0.000 0.193 161 E C 1.744 178.146 176.600 -0.331 0.000 0.989 161 E CA 0.753 57.134 56.400 -0.032 0.000 0.800 161 E CB -0.283 29.578 29.700 0.268 0.000 0.746 161 E HN 0.223 nan 8.360 nan 0.000 0.452 162 F N 1.670 121.112 119.950 -0.847 0.000 2.091 162 F HA -0.220 4.304 4.527 -0.004 0.000 0.299 162 F C 1.863 177.365 175.800 -0.497 0.000 1.103 162 F CA 1.409 58.759 58.000 -1.084 0.000 1.228 162 F CB -0.171 38.519 39.000 -0.516 0.000 0.984 162 F HN -0.080 nan 8.300 nan 0.000 0.477 163 L N -0.369 120.493 121.223 -0.602 0.000 2.265 163 L HA -0.163 4.175 4.340 -0.004 0.000 0.215 163 L C 1.027 177.642 176.870 -0.426 0.000 1.117 163 L CA 1.173 55.520 54.840 -0.823 0.000 0.782 163 L CB -0.564 40.968 42.059 -0.877 0.000 0.914 163 L HN 0.085 nan 8.230 nan 0.000 0.441 164 D N -0.415 119.815 120.400 -0.284 0.000 2.525 164 D HA 0.089 4.726 4.640 -0.004 0.000 0.229 164 D C 0.310 176.583 176.300 -0.044 0.000 1.202 164 D CA 0.098 54.027 54.000 -0.118 0.000 0.828 164 D CB 0.364 41.112 40.800 -0.086 0.000 1.008 164 D HN 0.201 nan 8.370 nan 0.000 0.493 165 S N -1.625 114.029 115.700 -0.076 0.000 2.677 165 S HA 0.390 4.857 4.470 -0.004 0.000 0.304 165 S C 1.304 175.936 174.600 0.053 0.000 1.108 165 S CA -0.742 57.496 58.200 0.063 0.000 0.944 165 S CB 1.276 64.580 63.200 0.172 0.000 1.127 165 S HN 0.008 nan 8.310 nan 0.000 0.511 166 L N -0.075 121.176 121.223 0.047 0.000 2.191 166 L HA -0.088 4.249 4.340 -0.004 0.000 0.212 166 L C 1.894 178.723 176.870 -0.068 0.000 1.103 166 L CA 1.345 56.151 54.840 -0.057 0.000 0.769 166 L CB -0.748 41.206 42.059 -0.175 0.000 0.908 166 L HN 0.745 nan 8.230 nan 0.000 0.438 167 Y N -1.331 119.012 120.300 0.071 0.000 2.293 167 Y HA -0.270 4.277 4.550 -0.004 0.000 0.291 167 Y C 2.348 178.298 175.900 0.083 0.000 1.137 167 Y CA 1.466 59.667 58.100 0.169 0.000 1.202 167 Y CB -0.366 38.304 38.460 0.349 0.000 0.990 167 Y HN 0.095 nan 8.280 nan 0.000 0.537 168 F N -0.088 119.679 119.950 -0.304 0.000 2.234 168 F HA -0.091 4.434 4.527 -0.004 0.000 0.296 168 F C 1.788 177.622 175.800 0.057 0.000 1.089 168 F CA 1.079 58.874 58.000 -0.342 0.000 1.343 168 F CB -0.532 38.059 39.000 -0.681 0.000 1.040 168 F HN -0.102 nan 8.300 nan 0.000 0.498 169 L N 0.065 121.217 121.223 -0.120 0.000 2.083 169 L HA -0.207 4.131 4.340 -0.004 0.000 0.209 169 L C 2.590 179.428 176.870 -0.053 0.000 1.083 169 L CA 1.448 56.192 54.840 -0.160 0.000 0.752 169 L CB -0.708 41.319 42.059 -0.055 0.000 0.899 169 L HN 0.120 nan 8.230 nan 0.000 0.433 170 R N 0.438 120.992 120.500 0.089 0.000 2.092 170 R HA -0.210 4.128 4.340 -0.004 0.000 0.231 170 R C 2.147 178.688 176.300 0.400 0.000 1.119 170 R CA 1.464 57.694 56.100 0.217 0.000 0.970 170 R CB -0.931 29.551 30.300 0.304 0.000 0.864 170 R HN 0.243 nan 8.270 nan 0.000 0.440 171 F N 0.502 120.618 119.950 0.278 0.000 2.126 171 F HA -0.124 4.400 4.527 -0.004 0.000 0.299 171 F C 1.667 177.593 175.800 0.210 0.000 1.096 171 F CA 1.567 59.779 58.000 0.352 0.000 1.255 171 F CB -0.356 38.852 39.000 0.345 0.000 0.997 171 F HN 0.032 nan 8.300 nan 0.000 0.479 172 L N -0.110 121.042 121.223 -0.118 0.000 2.042 172 L HA -0.283 4.055 4.340 -0.004 0.000 0.210 172 L C 2.574 179.385 176.870 -0.098 0.000 1.076 172 L CA 1.709 56.412 54.840 -0.228 0.000 0.749 172 L CB -0.854 41.033 42.059 -0.287 0.000 0.893 172 L HN 0.255 nan 8.230 nan 0.000 0.432 173 Q N -1.139 118.624 119.800 -0.061 0.000 2.096 173 Q HA -0.248 4.089 4.340 -0.004 0.000 0.204 173 Q C 2.106 178.089 176.000 -0.027 0.000 0.982 173 Q CA 2.149 57.897 55.803 -0.091 0.000 0.850 173 Q CB -0.224 28.403 28.738 -0.186 0.000 0.901 173 Q HN 0.511 nan 8.270 nan 0.000 0.422 174 W N 0.874 122.225 121.300 0.084 0.000 2.388 174 W HA -0.129 4.528 4.660 -0.004 0.000 0.294 174 W C 2.181 178.744 176.519 0.074 0.000 1.212 174 W CA 0.439 57.894 57.345 0.183 0.000 1.271 174 W CB 0.163 29.782 29.460 0.264 0.000 1.126 174 W HN -0.020 nan 8.180 nan 0.000 0.535 175 K N -0.888 119.541 120.400 0.048 0.000 2.097 175 K HA -0.205 4.112 4.320 -0.004 0.000 0.206 175 K C 1.589 178.156 176.600 -0.055 0.000 1.049 175 K CA 1.366 57.589 56.287 -0.106 0.000 0.933 175 K CB -1.223 31.107 32.500 -0.284 0.000 0.717 175 K HN 0.341 nan 8.250 nan 0.000 0.442 176 W N 1.478 122.687 121.300 -0.152 0.000 2.354 176 W HA -0.214 4.444 4.660 -0.004 0.000 0.315 176 W C 1.915 178.336 176.519 -0.165 0.000 1.206 176 W CA 1.000 58.257 57.345 -0.147 0.000 1.290 176 W CB -0.386 28.997 29.460 -0.130 0.000 1.152 176 W HN 0.015 nan 8.180 nan 0.000 0.489 177 L N 1.444 122.763 121.223 0.159 0.000 2.079 177 L HA -0.213 4.125 4.340 -0.004 0.000 0.210 177 L C 2.369 178.973 176.870 -0.443 0.000 1.081 177 L CA 2.577 57.418 54.840 0.002 0.000 0.752 177 L CB -1.330 40.885 42.059 0.260 0.000 0.896 177 L HN 0.265 nan 8.230 nan 0.000 0.433 178 E N -0.908 118.915 120.200 -0.630 0.000 2.153 178 E HA -0.195 4.153 4.350 -0.004 0.000 0.194 178 E C 1.795 177.905 176.600 -0.817 0.000 0.988 178 E CA 1.003 56.671 56.400 -1.219 0.000 0.811 178 E CB -0.051 29.209 29.700 -0.734 0.000 0.746 178 E HN 0.569 nan 8.360 nan 0.000 0.466 179 A N 0.540 123.003 122.820 -0.594 0.000 2.251 179 A HA 0.043 4.360 4.320 -0.004 0.000 0.209 179 A C 0.634 177.890 177.584 -0.545 0.000 1.187 179 A CA -0.148 51.587 52.037 -0.502 0.000 0.823 179 A CB 0.144 18.895 19.000 -0.416 0.000 0.846 179 A HN 0.124 nan 8.150 nan 0.000 0.486 180 Q N 0.632 120.047 119.800 -0.641 0.000 2.394 180 Q HA 0.261 4.598 4.340 -0.004 0.000 0.248 180 Q C -2.506 173.236 176.000 -0.430 0.000 0.992 180 Q CA -2.175 53.295 55.803 -0.555 0.000 0.888 180 Q CB -0.325 28.096 28.738 -0.528 0.000 1.257 180 Q HN 0.140 nan 8.270 nan 0.000 0.462 181 P HA 0.075 nan 4.420 nan 0.000 0.266 181 P C -0.580 176.434 177.300 -0.478 0.000 1.215 181 P CA 0.667 63.608 63.100 -0.266 0.000 0.763 181 P CB 0.281 31.913 31.700 -0.113 0.000 0.806 182 M N 3.029 122.266 119.600 -0.604 0.000 1.986 182 M HA 0.333 4.811 4.480 -0.004 0.000 0.247 182 M C 0.514 176.484 176.300 -0.550 0.000 0.851 182 M CA -0.207 54.393 55.300 -1.167 0.000 0.785 182 M CB 1.770 33.716 32.600 -1.090 0.000 1.554 182 M HN 0.381 nan 8.290 nan 0.000 0.361 183 G N 0.372 108.939 108.800 -0.388 0.000 2.736 183 G HA2 0.247 4.205 3.960 -0.004 0.000 0.229 183 G HA3 0.247 4.205 3.960 -0.004 0.000 0.229 183 G C 0.532 175.056 174.900 -0.627 0.000 1.380 183 G CA -0.147 44.702 45.100 -0.419 0.000 1.040 183 G HN 0.692 nan 8.290 nan 0.000 0.568 184 E N -0.224 119.443 120.200 -0.889 0.000 2.108 184 E HA -0.264 4.084 4.350 -0.004 0.000 0.203 184 E C 1.386 177.886 176.600 -0.166 0.000 1.022 184 E CA 2.045 58.073 56.400 -0.621 0.000 0.823 184 E CB -0.219 29.398 29.700 -0.139 0.000 0.744 184 E HN 0.361 nan 8.360 nan 0.000 0.456 185 D N -0.528 119.834 120.400 -0.062 0.000 2.309 185 D HA -0.144 4.493 4.640 -0.004 0.000 0.212 185 D C 0.980 177.053 176.300 -0.377 0.000 0.968 185 D CA 0.733 54.689 54.000 -0.073 0.000 0.882 185 D CB -0.336 40.509 40.800 0.075 0.000 0.918 185 D HN 0.469 nan 8.370 nan 0.000 0.503 186 W N -0.137 120.789 121.300 -0.622 0.000 3.180 186 W HA 0.170 4.828 4.660 -0.004 0.000 0.254 186 W C 0.027 175.850 176.519 -1.160 0.000 1.318 186 W CA -0.189 56.535 57.345 -1.034 0.000 1.608 186 W CB -0.270 28.587 29.460 -1.004 0.000 1.124 186 W HN -0.213 nan 8.180 nan 0.000 0.694 187 F N 0.631 120.478 119.950 -0.171 0.000 2.493 187 F HA 0.390 4.915 4.527 -0.004 0.000 0.329 187 F C -0.396 175.382 175.800 -0.037 0.000 1.126 187 F CA -1.343 56.623 58.000 -0.056 0.000 0.937 187 F CB 1.257 40.266 39.000 0.015 0.000 1.146 187 F HN -0.504 nan 8.300 nan 0.000 0.442 188 L N 4.602 125.928 121.223 0.170 0.000 2.277 188 L HA 0.478 4.816 4.340 -0.004 0.000 0.284 188 L C -0.732 176.296 176.870 0.263 0.000 1.028 188 L CA -0.434 54.495 54.840 0.149 0.000 0.835 188 L CB 0.113 42.232 42.059 0.100 0.000 1.215 188 L HN 0.394 nan 8.230 nan 0.000 0.425 189 D N 4.901 125.378 120.400 0.129 0.000 2.417 189 D HA 0.097 4.734 4.640 -0.004 0.000 0.250 189 D C 0.438 176.858 176.300 0.199 0.000 1.166 189 D CA 0.542 54.573 54.000 0.052 0.000 0.881 189 D CB 0.624 41.217 40.800 -0.345 0.000 1.164 189 D HN 0.557 nan 8.370 nan 0.000 0.467 190 F N 0.628 120.662 119.950 0.141 0.000 2.856 190 F HA 0.343 4.868 4.527 -0.004 0.000 0.338 190 F C 0.263 176.159 175.800 0.160 0.000 1.100 190 F CA -0.826 57.250 58.000 0.126 0.000 1.150 190 F CB 0.560 39.614 39.000 0.091 0.000 1.101 190 F HN 0.212 nan 8.300 nan 0.000 0.548 191 R N 0.631 121.060 120.500 -0.118 0.000 2.664 191 R HA 0.528 4.866 4.340 -0.004 0.000 0.260 191 R C -2.371 173.900 176.300 -0.047 0.000 1.062 191 R CA -0.686 55.380 56.100 -0.056 0.000 0.902 191 R CB 1.862 32.072 30.300 -0.150 0.000 1.258 191 R HN -0.067 nan 8.270 nan 0.000 0.465 192 V N 5.509 125.373 119.914 -0.084 0.000 2.406 192 V HA 0.231 4.348 4.120 -0.004 0.000 0.272 192 V C 1.078 177.056 176.094 -0.194 0.000 1.043 192 V CA -0.329 61.813 62.300 -0.263 0.000 0.915 192 V CB 1.280 32.937 31.823 -0.277 0.000 0.988 192 V HN 0.732 nan 8.190 nan 0.000 0.466 193 L N 3.932 125.036 121.223 -0.199 0.000 2.354 193 L HA 0.479 4.816 4.340 -0.004 0.000 0.212 193 L C 1.136 177.936 176.870 -0.118 0.000 1.091 193 L CA 0.987 55.752 54.840 -0.124 0.000 0.828 193 L CB 0.069 42.079 42.059 -0.082 0.000 0.973 193 L HN 0.829 nan 8.230 nan 0.000 0.461 194 G N -0.708 108.002 108.800 -0.149 0.000 2.488 194 G HA2 0.472 4.429 3.960 -0.004 0.000 0.301 194 G HA3 0.472 4.429 3.960 -0.004 0.000 0.301 194 G C -1.836 172.997 174.900 -0.111 0.000 1.339 194 G CA -0.669 44.366 45.100 -0.109 0.000 0.803 194 G HN -0.128 nan 8.290 nan 0.000 0.482 195 R N -0.547 119.919 120.500 -0.056 0.000 2.574 195 R HA 0.636 4.974 4.340 -0.004 0.000 0.288 195 R C 0.001 176.322 176.300 0.034 0.000 1.004 195 R CA -0.168 55.927 56.100 -0.009 0.000 0.895 195 R CB 1.812 32.093 30.300 -0.032 0.000 1.191 195 R HN 0.984 nan 8.270 nan 0.000 0.444 196 G N 0.302 109.154 108.800 0.085 0.000 3.016 196 G HA2 0.379 4.337 3.960 -0.004 0.000 0.270 196 G HA3 0.379 4.337 3.960 -0.004 0.000 0.270 196 G C 0.484 175.429 174.900 0.074 0.000 1.352 196 G CA -0.324 44.820 45.100 0.073 0.000 1.060 196 G HN 0.641 nan 8.290 nan 0.000 0.538 197 G N -1.212 107.570 108.800 -0.030 0.000 2.448 197 G HA2 0.019 3.977 3.960 -0.004 0.000 0.218 197 G HA3 0.019 3.977 3.960 -0.004 0.000 0.218 197 G C 0.861 175.438 174.900 -0.538 0.000 1.135 197 G CA 0.540 45.479 45.100 -0.268 0.000 0.784 197 G HN 0.336 nan 8.290 nan 0.000 0.543 198 F N 0.067 119.969 119.950 -0.081 0.000 2.706 198 F HA 0.476 5.001 4.527 -0.004 0.000 0.313 198 F C 1.203 176.721 175.800 -0.469 0.000 1.096 198 F CA 0.318 58.168 58.000 -0.250 0.000 1.219 198 F CB 1.390 40.310 39.000 -0.133 0.000 1.051 198 F HN 0.325 nan 8.300 nan 0.000 0.568 199 G N -0.103 108.566 108.800 -0.219 0.000 2.324 199 G HA2 0.189 4.146 3.960 -0.004 0.000 0.293 199 G HA3 0.189 4.146 3.960 -0.004 0.000 0.293 199 G C -1.559 173.434 174.900 0.155 0.000 1.297 199 G CA -1.050 43.949 45.100 -0.168 0.000 0.853 199 G HN -0.055 nan 8.290 nan 0.000 0.535 200 E N -1.194 119.114 120.200 0.179 0.000 2.349 200 E HA 0.507 4.854 4.350 -0.004 0.000 0.262 200 E C -0.521 176.009 176.600 -0.117 0.000 1.088 200 E CA -0.599 55.767 56.400 -0.057 0.000 0.899 200 E CB 2.195 31.678 29.700 -0.361 0.000 1.044 200 E HN 0.244 nan 8.360 nan 0.000 0.420 201 V N 3.049 122.835 119.914 -0.214 0.000 2.384 201 V HA 0.294 4.411 4.120 -0.004 0.000 0.287 201 V C -0.780 175.175 176.094 -0.232 0.000 1.020 201 V CA -0.486 61.750 62.300 -0.107 0.000 0.850 201 V CB 0.179 31.980 31.823 -0.037 0.000 0.987 201 V HN 0.463 nan 8.190 nan 0.000 0.436 202 F N 2.425 122.361 119.950 -0.024 0.000 2.458 202 F HA 0.745 5.270 4.527 -0.004 0.000 0.330 202 F C 0.694 176.428 175.800 -0.110 0.000 1.082 202 F CA -0.659 57.301 58.000 -0.067 0.000 0.995 202 F CB 1.552 40.526 39.000 -0.043 0.000 1.170 202 F HN 0.522 nan 8.300 nan 0.000 0.478 203 A N 1.828 124.612 122.820 -0.060 0.000 2.366 203 A HA 0.585 4.902 4.320 -0.004 0.000 0.272 203 A C -0.435 176.958 177.584 -0.318 0.000 1.135 203 A CA -0.406 51.492 52.037 -0.233 0.000 0.804 203 A CB -0.349 18.360 19.000 -0.484 0.000 1.064 203 A HN 1.006 nan 8.150 nan 0.000 0.499 204 C N 1.452 120.793 119.300 0.067 0.000 2.994 204 C HA 0.818 5.275 4.460 -0.004 0.000 0.304 204 C C -0.692 174.624 174.990 0.543 0.000 1.273 204 C CA -0.740 58.469 59.018 0.320 0.000 1.537 204 C CB 0.960 28.884 27.740 0.306 0.000 2.001 204 C HN 0.969 nan 8.230 nan 0.000 0.471 205 Q N 2.182 122.316 119.800 0.557 0.000 2.293 205 Q HA 0.417 4.754 4.340 -0.004 0.000 0.261 205 Q C -0.590 175.611 176.000 0.336 0.000 0.960 205 Q CA -0.614 55.429 55.803 0.400 0.000 0.882 205 Q CB 1.445 30.313 28.738 0.216 0.000 1.275 205 Q HN 0.912 nan 8.270 nan 0.000 0.445 206 M N 4.755 124.566 119.600 0.351 0.000 2.266 206 M HA 0.054 4.532 4.480 -0.004 0.000 0.340 206 M C 0.094 176.390 176.300 -0.006 0.000 1.486 206 M CA 0.780 56.153 55.300 0.121 0.000 1.209 206 M CB 0.265 33.077 32.600 0.354 0.000 1.714 206 M HN 0.777 nan 8.290 nan 0.000 0.459 207 K N 3.377 123.661 120.400 -0.194 0.000 2.113 207 K HA -0.177 4.140 4.320 -0.004 0.000 0.208 207 K C 1.726 178.286 176.600 -0.067 0.000 1.047 207 K CA 1.946 58.118 56.287 -0.192 0.000 0.928 207 K CB -0.019 32.184 32.500 -0.496 0.000 0.716 207 K HN 0.829 nan 8.250 nan 0.000 0.446 208 A N 0.526 123.346 122.820 -0.000 0.000 1.897 208 A HA -0.136 4.181 4.320 -0.004 0.000 0.215 208 A C 2.197 179.860 177.584 0.131 0.000 1.181 208 A CA 2.082 54.189 52.037 0.117 0.000 0.620 208 A CB -0.655 18.529 19.000 0.306 0.000 0.821 208 A HN 0.475 nan 8.150 nan 0.000 0.443 209 T N -5.670 108.972 114.554 0.146 0.000 3.015 209 T HA 0.418 4.766 4.350 -0.004 0.000 0.250 209 T C 1.481 176.228 174.700 0.079 0.000 1.057 209 T CA 1.133 63.306 62.100 0.121 0.000 1.066 209 T CB 0.343 69.293 68.868 0.137 0.000 0.959 209 T HN 1.707 nan 8.240 nan 0.000 0.488 210 G N 1.650 110.495 108.800 0.074 0.000 2.179 210 G HA2 -0.289 3.669 3.960 -0.004 0.000 0.260 210 G HA3 -0.289 3.669 3.960 -0.004 0.000 0.260 210 G C 0.006 174.938 174.900 0.053 0.000 0.977 210 G CA 0.333 45.461 45.100 0.047 0.000 0.641 210 G HN 0.861 nan 8.290 nan 0.000 0.533 211 K N 0.617 121.055 120.400 0.064 0.000 2.401 211 K HA 0.511 4.828 4.320 -0.004 0.000 0.278 211 K C 0.722 177.309 176.600 -0.021 0.000 1.018 211 K CA -0.451 55.820 56.287 -0.027 0.000 0.981 211 K CB 0.125 32.559 32.500 -0.110 0.000 0.933 211 K HN 0.266 nan 8.250 nan 0.000 0.477 212 L N 4.743 125.923 121.223 -0.072 0.000 2.334 212 L HA 0.372 4.709 4.340 -0.004 0.000 0.277 212 L C -0.585 176.224 176.870 -0.102 0.000 1.075 212 L CA -0.637 54.240 54.840 0.062 0.000 0.804 212 L CB 0.506 42.651 42.059 0.143 0.000 1.174 212 L HN 0.659 nan 8.230 nan 0.000 0.438 213 Y N 0.104 120.534 120.300 0.216 0.000 2.615 213 Y HA 0.606 5.153 4.550 -0.004 0.000 0.341 213 Y C -0.051 175.919 175.900 0.116 0.000 1.089 213 Y CA -1.085 57.117 58.100 0.171 0.000 1.049 213 Y CB 2.050 40.639 38.460 0.215 0.000 1.296 213 Y HN 0.567 nan 8.280 nan 0.000 0.470 214 A N 0.711 123.697 122.820 0.276 0.000 2.309 214 A HA 0.518 4.836 4.320 -0.004 0.000 0.298 214 A C -0.994 176.665 177.584 0.125 0.000 1.165 214 A CA -0.381 51.749 52.037 0.155 0.000 0.821 214 A CB 0.245 19.308 19.000 0.105 0.000 1.102 214 A HN 0.788 nan 8.150 nan 0.000 0.500 215 C N 3.843 123.211 119.300 0.114 0.000 2.291 215 C HA 0.556 5.013 4.460 -0.004 0.000 0.322 215 C C 0.152 175.197 174.990 0.092 0.000 1.205 215 C CA -0.769 58.279 59.018 0.050 0.000 1.495 215 C CB -0.607 27.159 27.740 0.042 0.000 2.127 215 C HN 0.881 nan 8.230 nan 0.000 0.452 216 K N 4.810 125.225 120.400 0.026 0.000 2.276 216 K HA 0.355 4.673 4.320 -0.004 0.000 0.285 216 K C -0.348 176.261 176.600 0.015 0.000 1.062 216 K CA -0.067 56.247 56.287 0.044 0.000 0.918 216 K CB 0.395 32.918 32.500 0.038 0.000 1.055 216 K HN 0.628 nan 8.250 nan 0.000 0.477 217 K N 3.987 124.427 120.400 0.068 0.000 2.156 217 K HA 0.382 4.700 4.320 -0.004 0.000 0.271 217 K C -0.874 175.718 176.600 -0.013 0.000 0.995 217 K CA -0.341 55.957 56.287 0.019 0.000 0.890 217 K CB 1.092 33.671 32.500 0.131 0.000 1.073 217 K HN 0.443 nan 8.250 nan 0.000 0.454 218 L N 3.116 124.278 121.223 -0.101 0.000 2.342 218 L HA 0.337 4.675 4.340 -0.004 0.000 0.276 218 L C -0.122 176.649 176.870 -0.165 0.000 0.997 218 L CA -0.860 53.913 54.840 -0.111 0.000 0.838 218 L CB 1.437 43.371 42.059 -0.209 0.000 1.224 218 L HN 0.653 nan 8.230 nan 0.000 0.416 219 N N 3.178 121.814 118.700 -0.107 0.000 2.440 219 N HA -0.014 4.723 4.740 -0.004 0.000 0.265 219 N C 0.722 176.192 175.510 -0.066 0.000 1.239 219 N CA 0.199 53.192 53.050 -0.096 0.000 0.909 219 N CB 1.136 39.557 38.487 -0.109 0.000 1.066 219 N HN 0.647 nan 8.380 nan 0.000 0.474 220 K N 3.474 123.809 120.400 -0.109 0.000 2.026 220 K HA -0.148 4.170 4.320 -0.004 0.000 0.208 220 K C 1.660 178.435 176.600 0.292 0.000 1.048 220 K CA 1.475 57.703 56.287 -0.098 0.000 0.929 220 K CB 0.152 32.397 32.500 -0.425 0.000 0.713 220 K HN 0.549 nan 8.250 nan 0.000 0.439 221 K N 0.413 121.008 120.400 0.325 0.000 2.057 221 K HA -0.133 4.185 4.320 -0.004 0.000 0.206 221 K C 2.283 179.011 176.600 0.213 0.000 1.050 221 K CA 1.039 57.511 56.287 0.307 0.000 0.935 221 K CB -0.101 32.487 32.500 0.147 0.000 0.715 221 K HN 0.075 nan 8.250 nan 0.000 0.439 222 R N 1.251 121.854 120.500 0.171 0.000 2.096 222 R HA -0.064 4.273 4.340 -0.004 0.000 0.235 222 R C 2.283 178.767 176.300 0.307 0.000 1.127 222 R CA 0.863 57.092 56.100 0.216 0.000 0.968 222 R CB -0.142 30.272 30.300 0.190 0.000 0.861 222 R HN 0.168 nan 8.270 nan 0.000 0.440 223 L N 0.829 122.145 121.223 0.155 0.000 1.994 223 L HA -0.241 4.096 4.340 -0.004 0.000 0.208 223 L C 2.665 179.551 176.870 0.028 0.000 1.071 223 L CA 1.839 56.620 54.840 -0.098 0.000 0.745 223 L CB -0.451 41.576 42.059 -0.054 0.000 0.892 223 L HN 0.274 nan 8.230 nan 0.000 0.431 224 K N 0.536 121.037 120.400 0.169 0.000 2.002 224 K HA -0.275 4.042 4.320 -0.004 0.000 0.209 224 K C 2.235 178.782 176.600 -0.088 0.000 1.048 224 K CA 1.839 58.077 56.287 -0.082 0.000 0.930 224 K CB -0.111 32.537 32.500 0.247 0.000 0.714 224 K HN 0.045 nan 8.250 nan 0.000 0.438 225 K N 0.367 120.795 120.400 0.047 0.000 2.103 225 K HA -0.124 4.193 4.320 -0.004 0.000 0.207 225 K C 1.603 178.222 176.600 0.032 0.000 1.048 225 K CA 1.360 57.668 56.287 0.035 0.000 0.930 225 K CB 0.102 32.641 32.500 0.065 0.000 0.716 225 K HN 0.143 nan 8.250 nan 0.000 0.444 226 R N 0.657 121.215 120.500 0.096 0.000 2.334 226 R HA 0.069 4.406 4.340 -0.004 0.000 0.220 226 R C -0.341 175.999 176.300 0.067 0.000 0.917 226 R CA 0.049 56.225 56.100 0.127 0.000 1.073 226 R CB 0.413 30.882 30.300 0.282 0.000 1.056 226 R HN 0.094 nan 8.270 nan 0.000 0.506 227 K N -0.232 120.123 120.400 -0.074 0.000 3.150 227 K HA -0.149 4.168 4.320 -0.004 0.000 0.267 227 K C 0.585 177.118 176.600 -0.111 0.000 1.028 227 K CA 0.877 57.057 56.287 -0.179 0.000 0.753 227 K CB -2.096 30.338 32.500 -0.110 0.000 1.288 227 K HN 0.525 nan 8.250 nan 0.000 0.473 228 G N -0.927 107.802 108.800 -0.120 0.000 3.233 228 G HA2 0.048 4.006 3.960 -0.004 0.000 0.234 228 G HA3 0.048 4.006 3.960 -0.004 0.000 0.234 228 G C 1.147 176.026 174.900 -0.036 0.000 1.137 228 G CA -0.301 44.745 45.100 -0.091 0.000 0.763 228 G HN 0.470 nan 8.290 nan 0.000 0.549 229 Y N -0.095 120.051 120.300 -0.256 0.000 2.128 229 Y HA -0.236 4.312 4.550 -0.004 0.000 0.284 229 Y C 3.079 178.917 175.900 -0.104 0.000 1.154 229 Y CA 1.121 58.993 58.100 -0.380 0.000 1.149 229 Y CB 0.109 38.012 38.460 -0.928 0.000 0.976 229 Y HN 0.251 nan 8.280 nan 0.000 0.505 230 Q N 0.736 120.587 119.800 0.085 0.000 2.050 230 Q HA -0.143 4.195 4.340 -0.004 0.000 0.202 230 Q C 2.431 178.518 176.000 0.145 0.000 0.980 230 Q CA 1.695 57.566 55.803 0.114 0.000 0.840 230 Q CB -0.665 28.112 28.738 0.065 0.000 0.898 230 Q HN 0.518 nan 8.270 nan 0.000 0.424 231 G N 0.533 109.406 108.800 0.121 0.000 2.440 231 G HA2 -0.232 3.725 3.960 -0.004 0.000 0.218 231 G HA3 -0.232 3.725 3.960 -0.004 0.000 0.218 231 G C 1.552 176.548 174.900 0.161 0.000 1.154 231 G CA 1.459 46.638 45.100 0.133 0.000 0.767 231 G HN 0.526 nan 8.290 nan 0.000 0.552 232 A N 0.325 123.248 122.820 0.173 0.000 1.858 232 A HA -0.032 4.285 4.320 -0.004 0.000 0.216 232 A C 2.344 180.166 177.584 0.397 0.000 1.190 232 A CA 2.391 54.577 52.037 0.248 0.000 0.617 232 A CB -0.404 18.701 19.000 0.174 0.000 0.827 232 A HN 0.401 nan 8.150 nan 0.000 0.443 233 M N -0.613 119.240 119.600 0.422 0.000 2.132 233 M HA -0.035 4.443 4.480 -0.004 0.000 0.263 233 M C 1.991 178.376 176.300 0.142 0.000 1.065 233 M CA 1.717 57.209 55.300 0.320 0.000 1.122 233 M CB -0.564 32.279 32.600 0.405 0.000 1.365 233 M HN 0.154 nan 8.290 nan 0.000 0.411 234 V N 0.063 120.064 119.914 0.145 0.000 2.343 234 V HA -0.267 3.851 4.120 -0.004 0.000 0.247 234 V C 2.232 178.370 176.094 0.072 0.000 1.051 234 V CA 2.467 64.823 62.300 0.094 0.000 1.036 234 V CB -0.512 31.372 31.823 0.102 0.000 0.654 234 V HN 0.721 nan 8.190 nan 0.000 0.451 235 E N -0.245 120.012 120.200 0.096 0.000 2.058 235 E HA -0.295 4.053 4.350 -0.004 0.000 0.194 235 E C 2.382 178.990 176.600 0.013 0.000 0.997 235 E CA 1.736 58.181 56.400 0.074 0.000 0.801 235 E CB -0.278 29.487 29.700 0.108 0.000 0.746 235 E HN 0.552 nan 8.360 nan 0.000 0.450 236 K N 0.670 121.054 120.400 -0.026 0.000 2.057 236 K HA -0.178 4.140 4.320 -0.004 0.000 0.206 236 K C 2.071 178.571 176.600 -0.168 0.000 1.050 236 K CA 1.384 57.558 56.287 -0.188 0.000 0.935 236 K CB 0.020 32.191 32.500 -0.549 0.000 0.715 236 K HN 0.026 nan 8.250 nan 0.000 0.439 237 K N 0.482 120.812 120.400 -0.118 0.000 2.026 237 K HA -0.118 4.199 4.320 -0.004 0.000 0.208 237 K C 2.222 178.789 176.600 -0.055 0.000 1.048 237 K CA 1.595 57.829 56.287 -0.088 0.000 0.929 237 K CB -0.171 32.302 32.500 -0.045 0.000 0.713 237 K HN 0.159 nan 8.250 nan 0.000 0.439 238 I N 1.191 121.745 120.570 -0.027 0.000 2.142 238 I HA -0.294 3.874 4.170 -0.004 0.000 0.240 238 I C 2.150 178.250 176.117 -0.029 0.000 1.078 238 I CA 1.281 62.572 61.300 -0.014 0.000 1.343 238 I CB -0.259 37.746 38.000 0.008 0.000 1.046 238 I HN 0.112 nan 8.210 nan 0.000 0.405 239 L N 0.343 121.544 121.223 -0.037 0.000 2.191 239 L HA -0.177 4.160 4.340 -0.004 0.000 0.212 239 L C 2.748 179.593 176.870 -0.043 0.000 1.103 239 L CA 1.039 55.857 54.840 -0.038 0.000 0.769 239 L CB -0.771 41.267 42.059 -0.036 0.000 0.908 239 L HN 0.256 nan 8.230 nan 0.000 0.438 240 A N 1.250 124.028 122.820 -0.070 0.000 1.872 240 A HA -0.174 4.144 4.320 -0.004 0.000 0.214 240 A C 2.367 179.918 177.584 -0.054 0.000 1.187 240 A CA 1.623 53.612 52.037 -0.081 0.000 0.614 240 A CB -0.307 18.620 19.000 -0.121 0.000 0.826 240 A HN 0.468 nan 8.150 nan 0.000 0.442 241 K N -0.623 119.751 120.400 -0.044 0.000 2.305 241 K HA 0.132 4.450 4.320 -0.004 0.000 0.199 241 K C -0.205 176.389 176.600 -0.010 0.000 1.047 241 K CA 0.519 56.788 56.287 -0.030 0.000 0.976 241 K CB -0.221 32.264 32.500 -0.024 0.000 0.765 241 K HN 0.198 nan 8.250 nan 0.000 0.474 242 V N 2.397 122.309 119.914 -0.004 0.000 2.439 242 V HA 0.109 4.227 4.120 -0.004 0.000 0.282 242 V C -1.107 175.010 176.094 0.038 0.000 1.039 242 V CA -0.665 61.634 62.300 -0.001 0.000 0.913 242 V CB 0.822 32.631 31.823 -0.023 0.000 0.983 242 V HN 0.292 nan 8.190 nan 0.000 0.460 243 H N 2.747 121.745 119.070 -0.121 0.000 2.866 243 H HA 0.591 5.144 4.556 -0.004 0.000 0.287 243 H C -0.421 174.773 175.328 -0.224 0.000 1.106 243 H CA 0.152 56.118 56.048 -0.137 0.000 1.396 243 H CB 1.093 30.789 29.762 -0.109 0.000 1.469 243 H HN 0.691 nan 8.280 nan 0.000 0.500 244 S N 3.238 118.680 115.700 -0.431 0.000 2.547 244 S HA 0.253 4.720 4.470 -0.004 0.000 0.281 244 S C 1.024 175.376 174.600 -0.413 0.000 1.118 244 S CA -0.969 56.962 58.200 -0.448 0.000 0.947 244 S CB 1.004 64.038 63.200 -0.277 0.000 1.053 244 S HN 0.861 nan 8.310 nan 0.000 0.482 245 R N 2.092 122.288 120.500 -0.507 0.000 2.357 245 R HA 0.063 4.400 4.340 -0.004 0.000 0.202 245 R C -0.158 175.736 176.300 -0.676 0.000 1.047 245 R CA 1.269 56.999 56.100 -0.616 0.000 1.034 245 R CB -0.520 29.347 30.300 -0.722 0.000 0.875 245 R HN 0.572 nan 8.270 nan 0.000 0.473 246 F N 0.789 120.726 119.950 -0.021 0.000 2.678 246 F HA 0.454 4.979 4.527 -0.004 0.000 0.305 246 F C 0.420 176.201 175.800 -0.032 0.000 1.090 246 F CA -0.544 57.458 58.000 0.003 0.000 1.272 246 F CB 0.530 39.559 39.000 0.049 0.000 1.060 246 F HN -0.131 nan 8.300 nan 0.000 0.576 247 I N 0.802 121.392 120.570 0.033 0.000 2.545 247 I HA 0.291 4.459 4.170 -0.004 0.000 0.292 247 I C -0.307 175.781 176.117 -0.048 0.000 1.040 247 I CA -1.659 59.628 61.300 -0.022 0.000 1.068 247 I CB 2.133 40.101 38.000 -0.054 0.000 1.251 247 I HN -0.269 nan 8.210 nan 0.000 0.424 248 V N 2.362 122.261 119.914 -0.024 0.000 2.694 248 V HA 0.162 4.280 4.120 -0.004 0.000 0.306 248 V C 0.387 176.476 176.094 -0.008 0.000 1.054 248 V CA 0.117 62.414 62.300 -0.004 0.000 1.161 248 V CB 0.675 32.511 31.823 0.021 0.000 0.916 248 V HN 0.748 nan 8.190 nan 0.000 0.490 249 S N 4.894 120.602 115.700 0.014 0.000 2.508 249 S HA 0.610 5.077 4.470 -0.004 0.000 0.284 249 S C -0.378 174.250 174.600 0.047 0.000 1.192 249 S CA -0.476 57.748 58.200 0.040 0.000 1.070 249 S CB 1.250 64.502 63.200 0.086 0.000 1.004 249 S HN 0.861 nan 8.310 nan 0.000 0.493 250 L N 3.684 124.913 121.223 0.010 0.000 2.281 250 L HA 0.526 4.864 4.340 -0.004 0.000 0.285 250 L C 0.782 177.611 176.870 -0.068 0.000 1.074 250 L CA 0.206 55.023 54.840 -0.038 0.000 0.817 250 L CB 0.613 42.624 42.059 -0.079 0.000 1.168 250 L HN 0.799 nan 8.230 nan 0.000 0.434 251 A N 4.516 127.267 122.820 -0.115 0.000 1.924 251 A HA 0.237 4.554 4.320 -0.004 0.000 0.211 251 A C -0.277 177.012 177.584 -0.492 0.000 1.198 251 A CA 0.725 52.592 52.037 -0.285 0.000 0.657 251 A CB -0.010 18.801 19.000 -0.316 0.000 0.852 251 A HN 0.615 nan 8.150 nan 0.000 0.454 252 Y N -2.053 118.149 120.300 -0.163 0.000 2.504 252 Y HA 0.633 5.180 4.550 -0.004 0.000 0.344 252 Y C -0.192 175.612 175.900 -0.160 0.000 1.023 252 Y CA -0.871 57.167 58.100 -0.103 0.000 1.020 252 Y CB 1.815 40.263 38.460 -0.019 0.000 1.282 252 Y HN 0.194 nan 8.280 nan 0.000 0.454 253 A N 3.529 126.366 122.820 0.029 0.000 2.335 253 A HA 0.864 5.182 4.320 -0.004 0.000 0.304 253 A C -1.354 176.268 177.584 0.064 0.000 1.118 253 A CA -0.538 51.439 52.037 -0.100 0.000 0.757 253 A CB 0.150 18.979 19.000 -0.287 0.000 1.188 253 A HN 0.679 nan 8.150 nan 0.000 0.460 254 F N 0.547 120.504 119.950 0.013 0.000 2.706 254 F HA 0.879 5.403 4.527 -0.004 0.000 0.328 254 F C -0.418 175.396 175.800 0.023 0.000 1.123 254 F CA -1.038 56.971 58.000 0.014 0.000 0.978 254 F CB 1.191 40.187 39.000 -0.007 0.000 1.404 254 F HN 0.626 nan 8.300 nan 0.000 0.497 255 E N -0.171 120.202 120.200 0.287 0.000 2.312 255 E HA 0.666 5.014 4.350 -0.004 0.000 0.267 255 E C -1.318 175.391 176.600 0.182 0.000 0.894 255 E CA -0.949 55.505 56.400 0.089 0.000 0.773 255 E CB 2.370 32.047 29.700 -0.040 0.000 1.241 255 E HN 0.884 nan 8.360 nan 0.000 0.432 256 T N -1.100 113.494 114.554 0.066 0.000 2.883 256 T HA 0.302 4.649 4.350 -0.004 0.000 0.284 256 T C 0.877 175.571 174.700 -0.009 0.000 1.041 256 T CA -0.655 61.485 62.100 0.067 0.000 1.007 256 T CB 1.588 70.509 68.868 0.089 0.000 1.220 256 T HN 0.576 nan 8.240 nan 0.000 0.552 257 K N 0.353 120.764 120.400 0.019 0.000 2.089 257 K HA -0.164 4.154 4.320 -0.004 0.000 0.210 257 K C 2.106 178.710 176.600 0.007 0.000 1.048 257 K CA 2.873 59.175 56.287 0.025 0.000 0.926 257 K CB -0.995 31.532 32.500 0.046 0.000 0.714 257 K HN 0.827 nan 8.250 nan 0.000 0.448 258 T N -2.964 111.584 114.554 -0.010 0.000 3.023 258 T HA 0.134 4.481 4.350 -0.004 0.000 0.249 258 T C 0.069 174.706 174.700 -0.107 0.000 1.050 258 T CA -0.190 61.900 62.100 -0.016 0.000 1.088 258 T CB 0.090 68.968 68.868 0.017 0.000 0.946 258 T HN 0.028 nan 8.240 nan 0.000 0.480 259 D N 0.795 121.108 120.400 -0.145 0.000 2.433 259 D HA 0.507 5.145 4.640 -0.004 0.000 0.236 259 D C -0.699 175.403 176.300 -0.330 0.000 1.026 259 D CA -0.566 53.307 54.000 -0.211 0.000 0.884 259 D CB 2.313 43.043 40.800 -0.117 0.000 1.384 259 D HN 0.252 nan 8.370 nan 0.000 0.477 260 L N 0.702 121.661 121.223 -0.440 0.000 2.325 260 L HA 0.508 4.845 4.340 -0.004 0.000 0.279 260 L C -0.394 176.253 176.870 -0.371 0.000 1.054 260 L CA -0.635 53.888 54.840 -0.529 0.000 0.804 260 L CB 1.302 42.747 42.059 -1.023 0.000 1.200 260 L HN 0.262 nan 8.230 nan 0.000 0.436 261 C N 3.899 122.981 119.300 -0.363 0.000 2.482 261 C HA 0.593 5.050 4.460 -0.004 0.000 0.317 261 C C -0.109 174.652 174.990 -0.382 0.000 1.197 261 C CA -0.852 57.872 59.018 -0.490 0.000 1.432 261 C CB 1.383 28.490 27.740 -1.054 0.000 2.062 261 C HN 0.592 nan 8.230 nan 0.000 0.471 262 L N 3.119 124.210 121.223 -0.220 0.000 2.319 262 L HA 0.587 4.924 4.340 -0.004 0.000 0.281 262 L C -0.550 176.204 176.870 -0.193 0.000 1.005 262 L CA -0.458 54.285 54.840 -0.161 0.000 0.828 262 L CB 1.336 43.374 42.059 -0.035 0.000 1.227 262 L HN 0.408 nan 8.230 nan 0.000 0.415 263 V N 5.299 125.073 119.914 -0.232 0.000 2.407 263 V HA 0.517 4.635 4.120 -0.004 0.000 0.278 263 V C 0.267 176.281 176.094 -0.133 0.000 1.037 263 V CA -0.290 61.873 62.300 -0.229 0.000 0.900 263 V CB 1.378 32.937 31.823 -0.439 0.000 0.983 263 V HN 0.848 nan 8.190 nan 0.000 0.459 264 M N 2.252 121.853 119.600 0.001 0.000 2.716 264 M HA 0.604 5.082 4.480 -0.004 0.000 0.278 264 M C -0.314 176.157 176.300 0.284 0.000 1.281 264 M CA -0.704 54.657 55.300 0.101 0.000 0.814 264 M CB 1.967 34.599 32.600 0.053 0.000 1.719 264 M HN 0.310 nan 8.290 nan 0.000 0.457 265 T N 2.262 116.952 114.554 0.227 0.000 2.800 265 T HA 0.117 4.464 4.350 -0.004 0.000 0.283 265 T C 0.043 174.835 174.700 0.153 0.000 0.999 265 T CA 0.188 62.403 62.100 0.191 0.000 1.176 265 T CB -0.547 68.376 68.868 0.093 0.000 0.973 265 T HN 0.517 nan 8.240 nan 0.000 0.519 266 I N 4.494 125.149 120.570 0.142 0.000 2.471 266 I HA 0.150 4.318 4.170 -0.004 0.000 0.286 266 I C -0.010 176.148 176.117 0.068 0.000 1.079 266 I CA -0.300 61.062 61.300 0.104 0.000 1.398 266 I CB 0.306 38.363 38.000 0.095 0.000 1.403 266 I HN 0.472 nan 8.210 nan 0.000 0.530 267 M N 7.745 127.382 119.600 0.061 0.000 2.027 267 M HA 0.274 4.751 4.480 -0.004 0.000 0.329 267 M C 0.141 176.473 176.300 0.054 0.000 0.971 267 M CA -0.275 55.059 55.300 0.056 0.000 0.933 267 M CB 0.668 33.303 32.600 0.058 0.000 1.392 267 M HN 0.535 nan 8.290 nan 0.000 0.394 268 N N 1.175 119.909 118.700 0.055 0.000 2.412 268 N HA 0.020 4.758 4.740 -0.004 0.000 0.184 268 N C 1.565 177.122 175.510 0.078 0.000 1.101 268 N CA 0.436 53.518 53.050 0.053 0.000 0.881 268 N CB 0.519 39.038 38.487 0.053 0.000 0.969 268 N HN 0.807 nan 8.380 nan 0.000 0.459 269 G N 0.357 109.221 108.800 0.107 0.000 2.679 269 G HA2 0.230 4.188 3.960 -0.004 0.000 0.212 269 G HA3 0.230 4.188 3.960 -0.004 0.000 0.212 269 G C 0.845 175.933 174.900 0.312 0.000 1.137 269 G CA 0.552 45.764 45.100 0.187 0.000 0.787 269 G HN 0.513 nan 8.290 nan 0.000 0.534 270 G N 0.097 108.999 108.800 0.170 0.000 2.760 270 G HA2 0.040 3.997 3.960 -0.004 0.000 0.246 270 G HA3 0.040 3.997 3.960 -0.004 0.000 0.246 270 G C -0.498 174.524 174.900 0.203 0.000 1.359 270 G CA -0.063 45.103 45.100 0.110 0.000 0.861 270 G HN 0.932 nan 8.290 nan 0.000 0.541 271 D N -1.065 119.434 120.400 0.166 0.000 2.268 271 D HA 0.648 5.285 4.640 -0.004 0.000 0.249 271 D C 1.691 178.170 176.300 0.298 0.000 1.008 271 D CA -1.039 53.075 54.000 0.189 0.000 0.939 271 D CB 1.005 41.877 40.800 0.119 0.000 1.170 271 D HN 0.294 nan 8.370 nan 0.000 0.468 272 I N 0.299 121.007 120.570 0.231 0.000 2.248 272 I HA -0.227 3.941 4.170 -0.004 0.000 0.248 272 I C 2.333 178.620 176.117 0.283 0.000 1.107 272 I CA 1.304 62.778 61.300 0.288 0.000 1.373 272 I CB -0.749 37.374 38.000 0.204 0.000 1.055 272 I HN 0.675 nan 8.210 nan 0.000 0.418 273 R N -0.036 120.590 120.500 0.209 0.000 2.081 273 R HA -0.246 4.091 4.340 -0.004 0.000 0.235 273 R C 2.521 178.954 176.300 0.223 0.000 1.131 273 R CA 1.669 57.886 56.100 0.194 0.000 0.960 273 R CB -0.516 29.904 30.300 0.200 0.000 0.856 273 R HN 0.312 nan 8.270 nan 0.000 0.436 274 Y N 0.622 120.965 120.300 0.070 0.000 2.128 274 Y HA -0.290 4.257 4.550 -0.004 0.000 0.284 274 Y C 2.132 178.002 175.900 -0.049 0.000 1.154 274 Y CA 1.956 60.041 58.100 -0.024 0.000 1.149 274 Y CB -0.360 37.993 38.460 -0.177 0.000 0.976 274 Y HN 0.205 nan 8.280 nan 0.000 0.505 275 H N -0.385 118.751 119.070 0.111 0.000 2.470 275 H HA -0.029 4.525 4.556 -0.004 0.000 0.289 275 H C 2.460 177.797 175.328 0.015 0.000 1.033 275 H CA 1.474 57.541 56.048 0.031 0.000 1.331 275 H CB -0.093 29.792 29.762 0.204 0.000 1.414 275 H HN 0.430 nan 8.280 nan 0.000 0.545 276 I N 0.158 120.668 120.570 -0.099 0.000 2.163 276 I HA -0.326 3.842 4.170 -0.004 0.000 0.243 276 I C 1.607 177.346 176.117 -0.629 0.000 1.085 276 I CA 1.684 62.569 61.300 -0.692 0.000 1.347 276 I CB -0.251 37.192 38.000 -0.929 0.000 1.044 276 I HN 0.192 nan 8.210 nan 0.000 0.408 277 Y N -1.140 119.054 120.300 -0.177 0.000 2.509 277 Y HA 0.049 4.596 4.550 -0.004 0.000 0.270 277 Y C 2.236 178.014 175.900 -0.203 0.000 1.103 277 Y CA 0.260 58.262 58.100 -0.163 0.000 1.278 277 Y CB -0.189 38.199 38.460 -0.119 0.000 1.087 277 Y HN 0.165 nan 8.280 nan 0.000 0.542 278 N N 0.171 118.730 118.700 -0.235 0.000 2.415 278 N HA -0.124 4.614 4.740 -0.004 0.000 0.176 278 N C 2.004 177.417 175.510 -0.162 0.000 1.042 278 N CA 0.456 53.315 53.050 -0.320 0.000 0.902 278 N CB 0.189 38.161 38.487 -0.859 0.000 0.986 278 N HN 0.229 nan 8.380 nan 0.000 0.447 279 V N 0.633 120.477 119.914 -0.117 0.000 2.380 279 V HA -0.154 3.964 4.120 -0.004 0.000 0.251 279 V C -0.012 176.061 176.094 -0.035 0.000 1.063 279 V CA 1.864 64.129 62.300 -0.058 0.000 1.055 279 V CB -0.170 31.645 31.823 -0.014 0.000 0.657 279 V HN 0.331 nan 8.190 nan 0.000 0.455 280 D N -1.420 118.956 120.400 -0.039 0.000 2.266 280 D HA 0.040 4.678 4.640 -0.004 0.000 0.218 280 D C 0.641 176.933 176.300 -0.014 0.000 1.311 280 D CA -0.032 53.956 54.000 -0.020 0.000 0.918 280 D CB 0.773 41.562 40.800 -0.019 0.000 1.530 280 D HN 0.374 nan 8.370 nan 0.000 0.514 281 E N 1.868 122.066 120.200 -0.004 0.000 2.130 281 E HA -0.235 4.113 4.350 -0.004 0.000 0.196 281 E C 0.593 177.204 176.600 0.017 0.000 0.998 281 E CA 1.487 57.895 56.400 0.013 0.000 0.806 281 E CB 0.422 30.127 29.700 0.008 0.000 0.738 281 E HN 0.354 nan 8.360 nan 0.000 0.459 282 D N -0.181 120.223 120.400 0.007 0.000 2.162 282 D HA -0.021 4.617 4.640 -0.004 0.000 0.203 282 D C 0.525 176.825 176.300 -0.000 0.000 0.967 282 D CA 0.723 54.726 54.000 0.005 0.000 0.840 282 D CB 0.058 40.858 40.800 0.001 0.000 0.972 282 D HN 0.042 nan 8.370 nan 0.000 0.482 283 N N 0.731 119.425 118.700 -0.010 0.000 2.851 283 N HA 0.182 4.919 4.740 -0.004 0.000 0.248 283 N C -2.738 172.744 175.510 -0.047 0.000 1.221 283 N CA -1.302 51.733 53.050 -0.026 0.000 0.847 283 N CB 1.766 40.236 38.487 -0.028 0.000 1.150 283 N HN -0.055 nan 8.380 nan 0.000 0.507 284 P HA 0.397 nan 4.420 nan 0.000 0.277 284 P C 0.072 177.243 177.300 -0.215 0.000 1.271 284 P CA 0.340 63.366 63.100 -0.124 0.000 0.795 284 P CB 0.778 32.441 31.700 -0.062 0.000 1.101 285 G N -1.073 107.506 108.800 -0.368 0.000 2.663 285 G HA2 -0.086 3.871 3.960 -0.004 0.000 0.686 285 G HA3 -0.086 3.871 3.960 -0.004 0.000 0.686 285 G C -0.979 173.776 174.900 -0.241 0.000 1.246 285 G CA -0.967 43.869 45.100 -0.440 0.000 0.795 285 G HN 0.316 nan 8.290 nan 0.000 0.627 286 F N 1.011 120.862 119.950 -0.165 0.000 2.377 286 F HA 0.427 4.952 4.527 -0.004 0.000 0.328 286 F C 1.342 177.047 175.800 -0.160 0.000 1.094 286 F CA -1.123 56.791 58.000 -0.144 0.000 1.093 286 F CB 0.988 39.926 39.000 -0.104 0.000 1.214 286 F HN 0.342 nan 8.300 nan 0.000 0.518 287 Q N 1.360 121.199 119.800 0.064 0.000 2.421 287 Q HA -0.046 4.291 4.340 -0.004 0.000 0.255 287 Q C 0.982 176.955 176.000 -0.045 0.000 1.013 287 Q CA 0.062 55.846 55.803 -0.032 0.000 0.895 287 Q CB 0.824 29.528 28.738 -0.057 0.000 1.271 287 Q HN 0.680 nan 8.270 nan 0.000 0.460 288 E N 2.552 122.706 120.200 -0.078 0.000 2.049 288 E HA -0.183 4.164 4.350 -0.004 0.000 0.198 288 E C -0.975 175.576 176.600 -0.083 0.000 1.007 288 E CA 1.998 58.348 56.400 -0.083 0.000 0.809 288 E CB -0.838 28.808 29.700 -0.089 0.000 0.749 288 E HN 0.462 nan 8.360 nan 0.000 0.450 289 P HA -0.186 nan 4.420 nan 0.000 0.216 289 P C 1.009 178.227 177.300 -0.137 0.000 1.150 289 P CA 1.641 64.680 63.100 -0.101 0.000 0.843 289 P CB -0.103 31.533 31.700 -0.107 0.000 0.787 290 R N -0.384 119.990 120.500 -0.209 0.000 2.092 290 R HA -0.051 4.286 4.340 -0.004 0.000 0.231 290 R C 2.067 178.102 176.300 -0.442 0.000 1.119 290 R CA 1.440 57.284 56.100 -0.426 0.000 0.970 290 R CB -0.674 29.325 30.300 -0.501 0.000 0.864 290 R HN 0.080 nan 8.270 nan 0.000 0.440 291 A N 0.967 123.718 122.820 -0.114 0.000 1.898 291 A HA -0.104 4.213 4.320 -0.004 0.000 0.216 291 A C 2.091 179.719 177.584 0.073 0.000 1.181 291 A CA 1.135 53.232 52.037 0.100 0.000 0.620 291 A CB -0.402 18.686 19.000 0.147 0.000 0.819 291 A HN 0.306 nan 8.150 nan 0.000 0.442 292 I N -1.827 118.740 120.570 -0.005 0.000 2.179 292 I HA -0.250 3.917 4.170 -0.004 0.000 0.242 292 I C 2.337 178.501 176.117 0.079 0.000 1.088 292 I CA 1.687 62.983 61.300 -0.008 0.000 1.357 292 I CB -0.405 37.543 38.000 -0.086 0.000 1.051 292 I HN 0.433 nan 8.210 nan 0.000 0.409 293 F N 1.178 121.049 119.950 -0.131 0.000 2.065 293 F HA -0.330 4.195 4.527 -0.004 0.000 0.298 293 F C 2.421 178.243 175.800 0.038 0.000 1.112 293 F CA 1.846 59.772 58.000 -0.124 0.000 1.212 293 F CB -0.473 38.379 39.000 -0.248 0.000 0.975 293 F HN -0.018 nan 8.300 nan 0.000 0.476 294 Y N 0.561 120.976 120.300 0.193 0.000 2.224 294 Y HA -0.181 4.366 4.550 -0.004 0.000 0.289 294 Y C 2.745 178.696 175.900 0.084 0.000 1.146 294 Y CA 1.429 59.603 58.100 0.124 0.000 1.182 294 Y CB -1.808 36.768 38.460 0.194 0.000 0.983 294 Y HN 0.053 nan 8.280 nan 0.000 0.524 295 T N 0.180 114.916 114.554 0.304 0.000 2.720 295 T HA -0.240 4.108 4.350 -0.004 0.000 0.268 295 T C 2.259 177.119 174.700 0.268 0.000 1.037 295 T CA 1.582 63.869 62.100 0.312 0.000 1.144 295 T CB -0.673 68.397 68.868 0.335 0.000 0.864 295 T HN 0.432 nan 8.240 nan 0.000 0.444 296 A N 1.308 124.233 122.820 0.175 0.000 1.902 296 A HA -0.180 4.137 4.320 -0.004 0.000 0.217 296 A C 2.305 179.793 177.584 -0.160 0.000 1.181 296 A CA 1.576 53.619 52.037 0.010 0.000 0.623 296 A CB -0.624 18.130 19.000 -0.410 0.000 0.818 296 A HN 0.559 nan 8.150 nan 0.000 0.443 297 Q N -0.757 118.877 119.800 -0.277 0.000 2.123 297 Q HA -0.048 4.289 4.340 -0.004 0.000 0.199 297 Q C 2.041 177.847 176.000 -0.323 0.000 0.966 297 Q CA 1.321 56.860 55.803 -0.441 0.000 0.845 297 Q CB -0.260 28.403 28.738 -0.126 0.000 0.907 297 Q HN 0.747 nan 8.270 nan 0.000 0.439 298 I N -0.134 120.405 120.570 -0.052 0.000 2.179 298 I HA -0.261 3.907 4.170 -0.004 0.000 0.242 298 I C 2.250 178.351 176.117 -0.027 0.000 1.088 298 I CA 0.782 62.096 61.300 0.023 0.000 1.357 298 I CB -0.267 37.818 38.000 0.141 0.000 1.051 298 I HN 0.023 nan 8.210 nan 0.000 0.409 299 V N 0.411 120.333 119.914 0.013 0.000 2.287 299 V HA -0.311 3.807 4.120 -0.004 0.000 0.248 299 V C 2.546 178.550 176.094 -0.150 0.000 1.053 299 V CA 2.394 64.713 62.300 0.032 0.000 1.027 299 V CB -0.507 31.382 31.823 0.109 0.000 0.646 299 V HN 0.421 nan 8.190 nan 0.000 0.447 300 S N 0.345 115.846 115.700 -0.332 0.000 2.383 300 S HA -0.148 4.319 4.470 -0.004 0.000 0.229 300 S C 2.022 176.388 174.600 -0.391 0.000 1.030 300 S CA 1.318 59.210 58.200 -0.513 0.000 1.002 300 S CB -0.712 61.920 63.200 -0.947 0.000 0.829 300 S HN 0.710 nan 8.310 nan 0.000 0.467 301 G N 1.737 110.396 108.800 -0.235 0.000 2.402 301 G HA2 -0.094 3.864 3.960 -0.004 0.000 0.216 301 G HA3 -0.094 3.864 3.960 -0.004 0.000 0.216 301 G C 1.336 176.142 174.900 -0.157 0.000 1.162 301 G CA 0.477 45.575 45.100 -0.005 0.000 0.777 301 G HN 0.419 nan 8.290 nan 0.000 0.539 302 L N 0.153 121.228 121.223 -0.247 0.000 2.046 302 L HA -0.090 4.247 4.340 -0.004 0.000 0.208 302 L C 2.791 179.236 176.870 -0.707 0.000 1.077 302 L CA 1.675 56.211 54.840 -0.506 0.000 0.747 302 L CB -0.425 41.401 42.059 -0.388 0.000 0.896 302 L HN 0.390 nan 8.230 nan 0.000 0.432 303 E N -0.183 119.811 120.200 -0.344 0.000 2.085 303 E HA -0.271 4.076 4.350 -0.004 0.000 0.194 303 E C 2.028 178.500 176.600 -0.214 0.000 0.994 303 E CA 1.642 57.925 56.400 -0.196 0.000 0.801 303 E CB -0.076 29.526 29.700 -0.163 0.000 0.743 303 E HN 0.583 nan 8.360 nan 0.000 0.453 304 H N -0.040 118.956 119.070 -0.125 0.000 2.387 304 H HA -0.079 4.475 4.556 -0.004 0.000 0.299 304 H C 2.225 177.474 175.328 -0.132 0.000 1.090 304 H CA 1.349 57.352 56.048 -0.075 0.000 1.332 304 H CB 0.105 29.856 29.762 -0.018 0.000 1.386 304 H HN 0.173 nan 8.280 nan 0.000 0.516 305 L N -0.427 120.723 121.223 -0.123 0.000 2.027 305 L HA -0.189 4.149 4.340 -0.004 0.000 0.206 305 L C 2.109 178.897 176.870 -0.137 0.000 1.074 305 L CA 1.483 56.243 54.840 -0.133 0.000 0.745 305 L CB -0.521 41.431 42.059 -0.180 0.000 0.898 305 L HN 0.493 nan 8.230 nan 0.000 0.433 306 H N -0.791 118.021 119.070 -0.431 0.000 2.389 306 H HA -0.147 4.407 4.556 -0.004 0.000 0.299 306 H C 2.215 177.006 175.328 -0.896 0.000 1.081 306 H CA 0.705 56.080 56.048 -1.123 0.000 1.345 306 H CB 0.112 28.659 29.762 -2.025 0.000 1.393 306 H HN 0.395 nan 8.280 nan 0.000 0.520 307 Q N 0.363 119.999 119.800 -0.275 0.000 2.364 307 Q HA -0.064 4.273 4.340 -0.004 0.000 0.209 307 Q C 1.173 177.205 176.000 0.052 0.000 0.977 307 Q CA 0.677 56.507 55.803 0.045 0.000 0.885 307 Q CB 0.352 29.176 28.738 0.142 0.000 0.941 307 Q HN 0.320 nan 8.270 nan 0.000 0.464 308 R N 0.207 120.719 120.500 0.021 0.000 2.466 308 R HA 0.156 4.493 4.340 -0.004 0.000 0.279 308 R C -0.225 176.133 176.300 0.097 0.000 0.976 308 R CA -0.095 56.040 56.100 0.059 0.000 1.081 308 R CB -0.216 30.112 30.300 0.046 0.000 1.215 308 R HN 0.314 nan 8.270 nan 0.000 0.546 309 N N 0.934 119.721 118.700 0.144 0.000 2.754 309 N HA -0.197 4.541 4.740 -0.004 0.000 0.248 309 N C -0.860 174.816 175.510 0.278 0.000 1.093 309 N CA 0.576 53.798 53.050 0.287 0.000 0.699 309 N CB -0.747 37.858 38.487 0.197 0.000 1.016 309 N HN 0.244 nan 8.380 nan 0.000 0.552 310 I N 1.471 122.216 120.570 0.293 0.000 2.406 310 I HA 0.403 4.571 4.170 -0.004 0.000 0.290 310 I C 0.377 176.730 176.117 0.393 0.000 0.999 310 I CA -0.613 60.836 61.300 0.249 0.000 1.124 310 I CB 1.558 39.642 38.000 0.140 0.000 1.289 310 I HN -0.031 nan 8.210 nan 0.000 0.441 311 I N 6.016 126.776 120.570 0.317 0.000 2.336 311 I HA 0.112 4.279 4.170 -0.004 0.000 0.292 311 I C 0.516 176.827 176.117 0.324 0.000 0.991 311 I CA -0.521 60.989 61.300 0.350 0.000 1.227 311 I CB 1.152 39.289 38.000 0.230 0.000 1.366 311 I HN 0.616 nan 8.210 nan 0.000 0.466 312 Y N 6.569 126.978 120.300 0.182 0.000 2.133 312 Y HA -0.142 4.406 4.550 -0.004 0.000 0.287 312 Y C 1.655 177.602 175.900 0.079 0.000 1.134 312 Y CA 1.080 59.240 58.100 0.100 0.000 1.133 312 Y CB -0.106 38.392 38.460 0.064 0.000 0.987 312 Y HN 0.596 nan 8.280 nan 0.000 0.502 313 R N -0.211 120.341 120.500 0.086 0.000 4.000 313 R HA -0.244 4.094 4.340 -0.004 0.000 0.362 313 R C -0.379 175.774 176.300 -0.245 0.000 1.183 313 R CA 1.168 57.227 56.100 -0.068 0.000 1.011 313 R CB -1.766 28.545 30.300 0.018 0.000 1.501 313 R HN 0.342 nan 8.270 nan 0.000 0.553 314 D N -0.480 119.543 120.400 -0.629 0.000 2.881 314 D HA 0.110 4.748 4.640 -0.004 0.000 0.325 314 D C -1.008 174.714 176.300 -0.963 0.000 1.621 314 D CA -0.458 53.171 54.000 -0.619 0.000 0.785 314 D CB 0.389 40.995 40.800 -0.322 0.000 1.233 314 D HN 0.058 nan 8.370 nan 0.000 0.447 315 L N 2.326 122.918 121.223 -1.052 0.000 2.462 315 L HA 0.326 4.664 4.340 -0.004 0.000 0.272 315 L C -0.183 176.468 176.870 -0.364 0.000 1.166 315 L CA 0.810 55.337 54.840 -0.522 0.000 0.880 315 L CB -0.209 41.780 42.059 -0.115 0.000 1.142 315 L HN 0.181 nan 8.230 nan 0.000 0.473 316 K N 3.057 123.268 120.400 -0.315 0.000 2.625 316 K HA 0.441 4.759 4.320 -0.004 0.000 0.284 316 K C -2.824 173.690 176.600 -0.142 0.000 0.984 316 K CA -1.474 54.520 56.287 -0.489 0.000 0.865 316 K CB 0.673 32.450 32.500 -1.206 0.000 1.468 316 K HN 0.053 nan 8.250 nan 0.000 0.407 317 P HA -0.293 nan 4.420 nan 0.000 0.216 317 P C 0.795 178.142 177.300 0.077 0.000 1.154 317 P CA 1.941 65.099 63.100 0.096 0.000 0.865 317 P CB 0.053 31.846 31.700 0.155 0.000 0.789 318 E N -1.390 118.829 120.200 0.033 0.000 2.409 318 E HA -0.120 4.228 4.350 -0.004 0.000 0.198 318 E C 1.022 177.645 176.600 0.039 0.000 1.024 318 E CA 0.808 57.237 56.400 0.047 0.000 0.861 318 E CB -0.708 29.010 29.700 0.030 0.000 0.788 318 E HN 0.170 nan 8.360 nan 0.000 0.521 319 N N 0.332 119.050 118.700 0.029 0.000 2.205 319 N HA 0.097 4.835 4.740 -0.004 0.000 0.201 319 N C -0.985 174.593 175.510 0.114 0.000 1.128 319 N CA 0.083 53.176 53.050 0.073 0.000 0.867 319 N CB 1.404 39.935 38.487 0.074 0.000 0.996 319 N HN -0.011 nan 8.380 nan 0.000 0.503 320 V N 2.218 122.191 119.914 0.098 0.000 2.333 320 V HA 0.371 4.489 4.120 -0.004 0.000 0.274 320 V C 0.169 176.306 176.094 0.071 0.000 1.028 320 V CA -0.629 61.726 62.300 0.093 0.000 0.851 320 V CB 1.355 33.232 31.823 0.090 0.000 1.000 320 V HN 0.012 nan 8.190 nan 0.000 0.456 321 L N 5.251 126.515 121.223 0.068 0.000 2.334 321 L HA 0.564 4.902 4.340 -0.004 0.000 0.275 321 L C -0.584 176.321 176.870 0.059 0.000 1.036 321 L CA -0.727 54.156 54.840 0.072 0.000 0.807 321 L CB 1.746 43.846 42.059 0.068 0.000 1.231 321 L HN 0.393 nan 8.230 nan 0.000 0.438 322 L N 1.838 123.110 121.223 0.082 0.000 2.322 322 L HA 0.323 4.660 4.340 -0.004 0.000 0.279 322 L C 0.031 176.952 176.870 0.085 0.000 1.036 322 L CA -0.178 54.708 54.840 0.077 0.000 0.807 322 L CB 1.315 43.433 42.059 0.097 0.000 1.226 322 L HN 0.598 nan 8.230 nan 0.000 0.433 323 D N -0.304 120.139 120.400 0.072 0.000 2.507 323 D HA 0.109 4.746 4.640 -0.004 0.000 0.280 323 D C 0.331 176.658 176.300 0.046 0.000 1.219 323 D CA -0.348 53.686 54.000 0.056 0.000 1.085 323 D CB 0.452 41.277 40.800 0.041 0.000 1.134 323 D HN 0.413 nan 8.370 nan 0.000 0.583 324 D N -0.946 119.470 120.400 0.028 0.000 2.219 324 D HA -0.101 4.537 4.640 -0.004 0.000 0.205 324 D C 0.800 177.089 176.300 -0.019 0.000 0.970 324 D CA 0.932 54.937 54.000 0.008 0.000 0.851 324 D CB -0.043 40.762 40.800 0.008 0.000 0.943 324 D HN 0.396 nan 8.370 nan 0.000 0.488 325 D N -0.580 119.816 120.400 -0.007 0.000 2.323 325 D HA 0.073 4.710 4.640 -0.004 0.000 0.209 325 D C 1.623 177.913 176.300 -0.017 0.000 0.973 325 D CA 0.854 54.843 54.000 -0.019 0.000 0.874 325 D CB 0.591 41.393 40.800 0.003 0.000 0.930 325 D HN 0.289 nan 8.370 nan 0.000 0.521 326 G N 0.825 109.639 108.800 0.024 0.000 2.144 326 G HA2 -0.228 3.729 3.960 -0.004 0.000 0.218 326 G HA3 -0.228 3.729 3.960 -0.004 0.000 0.218 326 G C 0.095 175.126 174.900 0.219 0.000 0.988 326 G CA -0.462 44.689 45.100 0.085 0.000 0.659 326 G HN 0.156 nan 8.290 nan 0.000 0.522 327 N N 0.252 119.073 118.700 0.201 0.000 2.524 327 N HA 0.556 5.293 4.740 -0.004 0.000 0.283 327 N C 0.595 176.224 175.510 0.198 0.000 1.142 327 N CA 0.451 53.670 53.050 0.283 0.000 0.984 327 N CB 2.115 40.724 38.487 0.203 0.000 1.155 327 N HN 0.844 nan 8.380 nan 0.000 0.467 328 V N -0.331 119.717 119.914 0.224 0.000 2.850 328 V HA 0.720 4.838 4.120 -0.004 0.000 0.315 328 V C -0.051 176.141 176.094 0.164 0.000 1.064 328 V CA -0.830 61.546 62.300 0.125 0.000 0.979 328 V CB 1.756 33.591 31.823 0.020 0.000 1.039 328 V HN 0.549 nan 8.190 nan 0.000 0.452 329 R N 2.498 123.065 120.500 0.111 0.000 2.698 329 R HA 0.632 4.969 4.340 -0.004 0.000 0.275 329 R C -0.551 175.795 176.300 0.078 0.000 1.001 329 R CA -0.786 55.380 56.100 0.110 0.000 0.896 329 R CB 2.406 32.742 30.300 0.059 0.000 1.218 329 R HN 0.996 nan 8.270 nan 0.000 0.462 330 I N -0.699 119.900 120.570 0.049 0.000 2.823 330 I HA 0.533 4.701 4.170 -0.004 0.000 0.290 330 I C 0.132 176.238 176.117 -0.019 0.000 1.091 330 I CA -0.065 61.240 61.300 0.009 0.000 1.365 330 I CB 1.421 39.337 38.000 -0.141 0.000 1.427 330 I HN 0.726 nan 8.210 nan 0.000 0.583 331 S N 1.319 117.047 115.700 0.047 0.000 2.672 331 S HA 0.411 4.878 4.470 -0.004 0.000 0.271 331 S C -0.743 173.955 174.600 0.164 0.000 1.171 331 S CA -0.571 57.668 58.200 0.064 0.000 0.817 331 S CB 1.458 64.702 63.200 0.073 0.000 1.150 331 S HN 1.032 nan 8.310 nan 0.000 0.478 332 D N -0.408 120.074 120.400 0.136 0.000 3.830 332 D HA -0.115 4.523 4.640 -0.004 0.000 0.247 332 D C -0.520 175.924 176.300 0.240 0.000 1.073 332 D CA 0.523 54.623 54.000 0.167 0.000 1.116 332 D CB -1.451 39.437 40.800 0.148 0.000 0.909 332 D HN 0.625 nan 8.370 nan 0.000 0.418 333 L N 1.348 122.674 121.223 0.171 0.000 2.872 333 L HA 0.384 4.722 4.340 -0.004 0.000 0.245 333 L C 2.304 179.269 176.870 0.159 0.000 1.211 333 L CA 0.387 55.335 54.840 0.179 0.000 1.013 333 L CB 0.564 42.672 42.059 0.082 0.000 1.326 333 L HN 0.446 nan 8.230 nan 0.000 0.525 334 G N -0.332 108.560 108.800 0.153 0.000 2.534 334 G HA2 -0.089 3.869 3.960 -0.004 0.000 0.217 334 G HA3 -0.089 3.869 3.960 -0.004 0.000 0.217 334 G C 1.273 176.252 174.900 0.131 0.000 1.128 334 G CA 0.322 45.508 45.100 0.142 0.000 0.784 334 G HN 0.335 nan 8.290 nan 0.000 0.542 335 L N 0.399 121.699 121.223 0.128 0.000 2.640 335 L HA 0.388 4.725 4.340 -0.004 0.000 0.230 335 L C 1.778 178.722 176.870 0.123 0.000 1.123 335 L CA -0.444 54.458 54.840 0.105 0.000 0.900 335 L CB 0.099 42.193 42.059 0.060 0.000 1.146 335 L HN 0.180 nan 8.230 nan 0.000 0.484 336 A N 0.390 123.305 122.820 0.159 0.000 2.409 336 A HA 0.350 4.668 4.320 -0.004 0.000 0.246 336 A C -0.302 177.362 177.584 0.134 0.000 1.099 336 A CA 0.144 52.286 52.037 0.175 0.000 0.789 336 A CB 0.720 19.831 19.000 0.185 0.000 1.053 336 A HN -0.010 nan 8.150 nan 0.000 0.503 337 V N 0.461 120.455 119.914 0.133 0.000 2.760 337 V HA 0.474 4.591 4.120 -0.004 0.000 0.309 337 V C -0.893 175.257 176.094 0.093 0.000 1.077 337 V CA -0.689 61.669 62.300 0.096 0.000 0.910 337 V CB 1.967 33.834 31.823 0.074 0.000 1.008 337 V HN 0.965 nan 8.190 nan 0.000 0.424 338 E N 6.874 127.117 120.200 0.071 0.000 2.115 338 E HA 0.423 4.771 4.350 -0.004 0.000 0.282 338 E C -0.825 175.802 176.600 0.045 0.000 0.987 338 E CA -0.530 55.911 56.400 0.068 0.000 0.797 338 E CB 1.765 31.499 29.700 0.055 0.000 1.086 338 E HN 0.590 nan 8.360 nan 0.000 0.397 339 L N 3.325 124.576 121.223 0.046 0.000 2.416 339 L HA 0.142 4.480 4.340 -0.004 0.000 0.272 339 L C 0.677 177.562 176.870 0.025 0.000 1.161 339 L CA -0.121 54.727 54.840 0.012 0.000 0.845 339 L CB 0.136 42.190 42.059 -0.008 0.000 1.119 339 L HN 0.353 nan 8.230 nan 0.000 0.464 340 K N 1.981 122.386 120.400 0.010 0.000 2.276 340 K HA 0.279 4.597 4.320 -0.004 0.000 0.259 340 K C 0.275 176.888 176.600 0.021 0.000 1.001 340 K CA -0.456 55.839 56.287 0.015 0.000 0.927 340 K CB 0.491 32.995 32.500 0.005 0.000 0.969 340 K HN 0.713 nan 8.250 nan 0.000 0.490 341 A N 1.654 124.489 122.820 0.025 0.000 2.583 341 A HA 0.189 4.507 4.320 -0.004 0.000 0.249 341 A C 1.202 178.800 177.584 0.023 0.000 1.035 341 A CA 0.921 52.975 52.037 0.028 0.000 0.777 341 A CB -1.285 17.729 19.000 0.024 0.000 0.942 341 A HN 0.947 nan 8.150 nan 0.000 0.516 342 G N 1.406 110.224 108.800 0.030 0.000 2.225 342 G HA2 -0.258 3.699 3.960 -0.004 0.000 0.267 342 G HA3 -0.258 3.699 3.960 -0.004 0.000 0.267 342 G C 0.173 175.079 174.900 0.010 0.000 1.024 342 G CA 0.690 45.805 45.100 0.024 0.000 0.784 342 G HN 1.148 nan 8.290 nan 0.000 0.507 343 Q N -0.270 119.533 119.800 0.005 0.000 2.271 343 Q HA 0.570 4.907 4.340 -0.004 0.000 0.258 343 Q C 1.520 177.500 176.000 -0.032 0.000 0.936 343 Q CA 0.140 55.930 55.803 -0.021 0.000 0.909 343 Q CB 0.916 29.635 28.738 -0.031 0.000 1.253 343 Q HN 0.427 nan 8.270 nan 0.000 0.440 344 T N 0.012 114.533 114.554 -0.056 0.000 2.990 344 T HA 0.317 4.665 4.350 -0.004 0.000 0.249 344 T C 0.280 174.876 174.700 -0.173 0.000 1.039 344 T CA 0.066 62.119 62.100 -0.077 0.000 1.036 344 T CB 0.536 69.384 68.868 -0.033 0.000 0.994 344 T HN 0.386 nan 8.240 nan 0.000 0.489 345 K N 0.044 120.340 120.400 -0.174 0.000 2.495 345 K HA 0.673 4.990 4.320 -0.004 0.000 0.268 345 K C -1.373 175.061 176.600 -0.277 0.000 1.008 345 K CA -0.770 55.372 56.287 -0.242 0.000 0.882 345 K CB 2.350 34.741 32.500 -0.182 0.000 1.443 345 K HN 0.063 nan 8.250 nan 0.000 0.447 346 T N 0.036 114.324 114.554 -0.443 0.000 2.843 346 T HA 0.438 4.785 4.350 -0.004 0.000 0.302 346 T C -1.679 172.629 174.700 -0.653 0.000 1.232 346 T CA -0.789 61.036 62.100 -0.459 0.000 1.009 346 T CB 1.333 69.973 68.868 -0.380 0.000 1.254 346 T HN 0.473 nan 8.240 nan 0.000 0.504 347 K N 0.765 120.948 120.400 -0.361 0.000 2.185 347 K HA 0.786 5.103 4.320 -0.004 0.000 0.240 347 K C -0.381 176.185 176.600 -0.056 0.000 0.983 347 K CA -1.113 55.055 56.287 -0.199 0.000 0.873 347 K CB 1.905 34.367 32.500 -0.064 0.000 1.118 347 K HN 0.987 nan 8.250 nan 0.000 0.441 348 G N 1.308 110.206 108.800 0.163 0.000 2.177 348 G HA2 -0.045 3.913 3.960 -0.004 0.000 0.202 348 G HA3 -0.045 3.913 3.960 -0.004 0.000 0.202 348 G C -2.158 172.913 174.900 0.285 0.000 1.581 348 G CA -0.960 44.266 45.100 0.210 0.000 0.983 348 G HN 0.517 nan 8.290 nan 0.000 0.689 349 Y N 2.404 122.764 120.300 0.100 0.000 2.556 349 Y HA 0.609 5.157 4.550 -0.004 0.000 0.352 349 Y C 0.363 176.288 175.900 0.042 0.000 1.006 349 Y CA 0.663 58.795 58.100 0.053 0.000 1.277 349 Y CB 0.413 38.888 38.460 0.026 0.000 1.136 349 Y HN 1.097 nan 8.280 nan 0.000 0.523 350 A N 3.826 126.528 122.820 -0.197 0.000 2.594 350 A HA 0.887 5.205 4.320 -0.004 0.000 0.295 350 A C -0.253 177.201 177.584 -0.216 0.000 1.071 350 A CA -0.145 51.822 52.037 -0.117 0.000 0.685 350 A CB 1.107 20.115 19.000 0.014 0.000 1.285 350 A HN 1.478 nan 8.150 nan 0.000 0.405 351 G N -0.663 108.053 108.800 -0.140 0.000 2.343 351 G HA2 0.469 4.426 3.960 -0.004 0.000 0.465 351 G HA3 0.469 4.426 3.960 -0.004 0.000 0.465 351 G C -0.614 174.233 174.900 -0.088 0.000 1.282 351 G CA -0.177 44.846 45.100 -0.129 0.000 0.996 351 G HN 1.329 nan 8.290 nan 0.000 0.521 352 T N 3.072 117.607 114.554 -0.032 0.000 2.767 352 T HA 0.614 4.961 4.350 -0.004 0.000 0.284 352 T C -2.383 172.396 174.700 0.132 0.000 0.973 352 T CA -0.677 61.453 62.100 0.050 0.000 0.996 352 T CB 1.675 70.566 68.868 0.037 0.000 0.927 352 T HN 0.434 nan 8.240 nan 0.000 0.456 353 P HA 0.136 nan 4.420 nan 0.000 0.261 353 P C 1.109 178.483 177.300 0.123 0.000 1.173 353 P CA 1.165 64.311 63.100 0.076 0.000 0.760 353 P CB 0.233 31.975 31.700 0.070 0.000 0.783 354 G N 1.645 110.462 108.800 0.028 0.000 2.258 354 G HA2 -0.315 3.643 3.960 -0.004 0.000 0.233 354 G HA3 -0.315 3.643 3.960 -0.004 0.000 0.233 354 G C 0.634 175.407 174.900 -0.211 0.000 1.006 354 G CA -0.138 44.916 45.100 -0.077 0.000 0.620 354 G HN 0.463 nan 8.290 nan 0.000 0.511 355 F N 0.972 120.969 119.950 0.079 0.000 2.724 355 F HA 0.550 5.075 4.527 -0.004 0.000 0.306 355 F C 1.636 177.517 175.800 0.134 0.000 1.100 355 F CA -0.068 58.002 58.000 0.116 0.000 1.255 355 F CB 0.328 39.348 39.000 0.034 0.000 1.072 355 F HN 0.041 nan 8.300 nan 0.000 0.589 356 M N 1.017 120.693 119.600 0.127 0.000 2.185 356 M HA 0.404 4.882 4.480 -0.004 0.000 0.357 356 M C 0.335 176.497 176.300 -0.230 0.000 1.260 356 M CA -0.474 54.778 55.300 -0.081 0.000 1.124 356 M CB 0.918 33.380 32.600 -0.231 0.000 1.600 356 M HN 0.032 nan 8.290 nan 0.000 0.467 357 A N 5.035 127.602 122.820 -0.422 0.000 2.351 357 A HA 0.373 4.691 4.320 -0.004 0.000 0.257 357 A C -1.796 175.409 177.584 -0.632 0.000 1.087 357 A CA -1.381 50.088 52.037 -0.946 0.000 0.798 357 A CB -0.207 18.369 19.000 -0.708 0.000 1.033 357 A HN 0.606 nan 8.150 nan 0.000 0.488 358 P HA -0.225 nan 4.420 nan 0.000 0.216 358 P C 0.875 178.042 177.300 -0.223 0.000 1.157 358 P CA 1.996 64.888 63.100 -0.346 0.000 0.880 358 P CB 0.062 31.590 31.700 -0.285 0.000 0.791 359 E N -0.538 119.539 120.200 -0.204 0.000 2.114 359 E HA -0.202 4.145 4.350 -0.004 0.000 0.199 359 E C 2.062 178.619 176.600 -0.070 0.000 1.008 359 E CA 1.028 57.373 56.400 -0.091 0.000 0.810 359 E CB -1.306 28.373 29.700 -0.035 0.000 0.739 359 E HN 0.232 nan 8.360 nan 0.000 0.456 360 L N 0.102 121.190 121.223 -0.225 0.000 2.044 360 L HA -0.098 4.239 4.340 -0.004 0.000 0.205 360 L C 2.106 178.923 176.870 -0.089 0.000 1.075 360 L CA 1.081 55.761 54.840 -0.267 0.000 0.747 360 L CB -0.057 41.644 42.059 -0.597 0.000 0.903 360 L HN 0.161 nan 8.230 nan 0.000 0.435 361 L N -0.427 120.723 121.223 -0.122 0.000 2.131 361 L HA -0.225 4.112 4.340 -0.004 0.000 0.210 361 L C 2.241 179.149 176.870 0.065 0.000 1.092 361 L CA 1.018 55.866 54.840 0.013 0.000 0.759 361 L CB -0.359 41.660 42.059 -0.068 0.000 0.903 361 L HN 0.336 nan 8.230 nan 0.000 0.435 362 L N -0.523 120.703 121.223 0.005 0.000 2.599 362 L HA 0.101 4.438 4.340 -0.004 0.000 0.230 362 L C 1.507 178.400 176.870 0.038 0.000 1.141 362 L CA 0.562 55.408 54.840 0.009 0.000 0.877 362 L CB -0.315 41.733 42.059 -0.017 0.000 1.009 362 L HN 0.491 nan 8.230 nan 0.000 0.447 363 G N -0.061 108.787 108.800 0.081 0.000 2.176 363 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.253 363 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.253 363 G C 0.185 175.136 174.900 0.085 0.000 0.979 363 G CA -0.015 45.142 45.100 0.094 0.000 0.641 363 G HN 0.422 nan 8.290 nan 0.000 0.530 364 E N 0.397 120.648 120.200 0.086 0.000 2.369 364 E HA 0.465 4.812 4.350 -0.004 0.000 0.255 364 E C 0.425 177.088 176.600 0.105 0.000 1.172 364 E CA -0.439 56.004 56.400 0.071 0.000 0.932 364 E CB 0.583 30.315 29.700 0.052 0.000 1.040 364 E HN 0.498 nan 8.360 nan 0.000 0.454 365 E N 0.424 120.638 120.200 0.023 0.000 2.373 365 E HA 0.143 4.490 4.350 -0.004 0.000 0.267 365 E C -1.141 175.466 176.600 0.013 0.000 1.032 365 E CA 0.154 56.511 56.400 -0.071 0.000 0.889 365 E CB 0.447 30.087 29.700 -0.100 0.000 0.984 365 E HN 0.283 nan 8.360 nan 0.000 0.425 366 Y N -0.190 120.067 120.300 -0.072 0.000 2.615 366 Y HA 0.499 5.046 4.550 -0.005 0.000 0.341 366 Y C -0.775 175.037 175.900 -0.146 0.000 1.089 366 Y CA -1.313 56.734 58.100 -0.088 0.000 1.049 366 Y CB 0.975 39.388 38.460 -0.078 0.000 1.296 366 Y HN 0.482 nan 8.280 nan 0.000 0.470 367 D N 0.396 120.813 120.400 0.029 0.000 2.707 367 D HA 0.248 4.885 4.640 -0.004 0.000 0.223 367 D C 0.588 176.788 176.300 -0.167 0.000 1.208 367 D CA -0.756 53.086 54.000 -0.262 0.000 1.081 367 D CB -0.268 40.274 40.800 -0.430 0.000 1.216 367 D HN 0.457 nan 8.370 nan 0.000 0.633 368 F N 0.596 120.523 119.950 -0.039 0.000 2.346 368 F HA -0.155 4.369 4.527 -0.004 0.000 0.301 368 F C 2.626 178.441 175.800 0.026 0.000 1.070 368 F CA 1.050 58.898 58.000 -0.252 0.000 1.407 368 F CB -0.654 37.980 39.000 -0.612 0.000 1.072 368 F HN 0.253 nan 8.300 nan 0.000 0.543 369 S N 0.767 116.641 115.700 0.290 0.000 2.380 369 S HA -0.273 4.195 4.470 -0.004 0.000 0.229 369 S C 2.159 176.919 174.600 0.268 0.000 1.043 369 S CA 1.625 60.020 58.200 0.324 0.000 1.038 369 S CB -1.547 61.767 63.200 0.189 0.000 0.872 369 S HN 0.417 nan 8.310 nan 0.000 0.456 370 V N 0.504 120.492 119.914 0.125 0.000 2.490 370 V HA -0.142 3.976 4.120 -0.004 0.000 0.250 370 V C 1.939 178.105 176.094 0.122 0.000 1.061 370 V CA 2.192 64.513 62.300 0.036 0.000 1.064 370 V CB -1.019 30.681 31.823 -0.205 0.000 0.670 370 V HN 0.251 nan 8.190 nan 0.000 0.461 371 D N -0.302 120.153 120.400 0.092 0.000 2.183 371 D HA -0.093 4.544 4.640 -0.004 0.000 0.203 371 D C 2.011 178.293 176.300 -0.029 0.000 0.969 371 D CA 1.722 55.742 54.000 0.032 0.000 0.842 371 D CB -0.328 40.521 40.800 0.082 0.000 0.957 371 D HN 0.673 nan 8.370 nan 0.000 0.484 372 Y N -0.542 119.915 120.300 0.263 0.000 2.373 372 Y HA -0.084 4.464 4.550 -0.005 0.000 0.293 372 Y C 2.107 178.116 175.900 0.181 0.000 1.129 372 Y CA 0.225 58.453 58.100 0.213 0.000 1.226 372 Y CB -0.264 38.306 38.460 0.184 0.000 1.000 372 Y HN -0.087 nan 8.280 nan 0.000 0.549 373 F N 0.499 120.556 119.950 0.180 0.000 2.113 373 F HA -0.166 4.359 4.527 -0.004 0.000 0.297 373 F C 2.359 178.238 175.800 0.131 0.000 1.103 373 F CA 1.164 59.236 58.000 0.120 0.000 1.248 373 F CB -0.564 38.479 39.000 0.070 0.000 0.999 373 F HN -0.024 nan 8.300 nan 0.000 0.475 374 A N 0.185 123.169 122.820 0.273 0.000 1.940 374 A HA -0.196 4.121 4.320 -0.004 0.000 0.219 374 A C 2.104 179.809 177.584 0.201 0.000 1.176 374 A CA 1.735 53.926 52.037 0.257 0.000 0.631 374 A CB -1.278 17.847 19.000 0.208 0.000 0.814 374 A HN 0.481 nan 8.150 nan 0.000 0.446 375 L N 0.119 121.443 121.223 0.169 0.000 2.042 375 L HA -0.085 4.253 4.340 -0.004 0.000 0.210 375 L C 2.404 179.380 176.870 0.176 0.000 1.076 375 L CA 2.303 57.264 54.840 0.203 0.000 0.749 375 L CB -1.017 41.194 42.059 0.253 0.000 0.893 375 L HN 0.319 nan 8.230 nan 0.000 0.432 376 G N -1.351 107.479 108.800 0.049 0.000 2.421 376 G HA2 -0.197 3.761 3.960 -0.004 0.000 0.216 376 G HA3 -0.197 3.761 3.960 -0.004 0.000 0.216 376 G C 1.542 176.438 174.900 -0.006 0.000 1.171 376 G CA 1.023 46.108 45.100 -0.026 0.000 0.775 376 G HN 0.318 nan 8.290 nan 0.000 0.543 377 V N 1.029 120.860 119.914 -0.139 0.000 2.332 377 V HA -0.209 3.909 4.120 -0.004 0.000 0.248 377 V C 3.132 179.306 176.094 0.134 0.000 1.055 377 V CA 2.384 64.601 62.300 -0.138 0.000 1.038 377 V CB -0.972 30.654 31.823 -0.328 0.000 0.651 377 V HN 0.389 nan 8.190 nan 0.000 0.450 378 T N 0.424 115.138 114.554 0.267 0.000 2.668 378 T HA -0.161 4.186 4.350 -0.004 0.000 0.262 378 T C 1.921 176.790 174.700 0.283 0.000 1.045 378 T CA 1.797 64.096 62.100 0.332 0.000 1.152 378 T CB -0.394 68.659 68.868 0.309 0.000 0.864 378 T HN 0.332 nan 8.240 nan 0.000 0.419 379 L N 0.443 121.839 121.223 0.288 0.000 2.081 379 L HA -0.104 4.234 4.340 -0.004 0.000 0.212 379 L C 2.086 179.137 176.870 0.302 0.000 1.080 379 L CA 1.729 56.748 54.840 0.298 0.000 0.754 379 L CB -0.892 41.372 42.059 0.342 0.000 0.893 379 L HN 0.360 nan 8.230 nan 0.000 0.433 380 Y N 0.152 120.574 120.300 0.204 0.000 2.181 380 Y HA -0.255 4.293 4.550 -0.003 0.000 0.288 380 Y C 2.657 178.664 175.900 0.178 0.000 1.146 380 Y CA 2.154 60.419 58.100 0.275 0.000 1.164 380 Y CB -0.016 38.497 38.460 0.088 0.000 0.982 380 Y HN 0.402 nan 8.280 nan 0.000 0.515 381 E N -0.247 120.148 120.200 0.325 0.000 2.150 381 E HA -0.205 4.143 4.350 -0.004 0.000 0.193 381 E C 2.142 178.701 176.600 -0.069 0.000 0.985 381 E CA 1.084 57.580 56.400 0.160 0.000 0.814 381 E CB -0.125 29.685 29.700 0.184 0.000 0.752 381 E HN 0.550 nan 8.360 nan 0.000 0.466 382 M N 0.038 119.611 119.600 -0.044 0.000 2.159 382 M HA -0.169 4.309 4.480 -0.004 0.000 0.263 382 M C 2.062 178.173 176.300 -0.316 0.000 1.063 382 M CA 1.307 56.473 55.300 -0.223 0.000 1.110 382 M CB -0.028 32.645 32.600 0.122 0.000 1.374 382 M HN 0.209 nan 8.290 nan 0.000 0.411 383 I N -1.079 119.345 120.570 -0.244 0.000 2.731 383 I HA -0.054 4.113 4.170 -0.004 0.000 0.260 383 I C 2.222 178.032 176.117 -0.512 0.000 1.138 383 I CA 0.589 61.632 61.300 -0.428 0.000 1.461 383 I CB -0.081 37.504 38.000 -0.693 0.000 1.128 383 I HN 0.141 nan 8.210 nan 0.000 0.438 384 A N 0.333 122.895 122.820 -0.430 0.000 2.220 384 A HA 0.507 4.825 4.320 -0.004 0.000 0.211 384 A C 1.482 178.979 177.584 -0.145 0.000 1.176 384 A CA 0.550 52.410 52.037 -0.295 0.000 0.834 384 A CB -0.080 18.787 19.000 -0.221 0.000 0.868 384 A HN 0.437 nan 8.150 nan 0.000 0.488 385 A N -0.428 122.280 122.820 -0.187 0.000 2.791 385 A HA -0.138 4.180 4.320 -0.004 0.000 0.292 385 A C 0.375 178.035 177.584 0.127 0.000 1.487 385 A CA 1.495 53.429 52.037 -0.172 0.000 0.760 385 A CB -2.136 16.752 19.000 -0.187 0.000 1.031 385 A HN 1.572 nan 8.150 nan 0.000 0.503 386 R N -2.307 118.288 120.500 0.158 0.000 2.753 386 R HA 0.571 4.909 4.340 -0.004 0.000 0.272 386 R C 0.159 176.596 176.300 0.228 0.000 1.034 386 R CA -0.561 55.666 56.100 0.212 0.000 0.869 386 R CB -0.008 30.391 30.300 0.164 0.000 1.264 386 R HN 1.261 nan 8.270 nan 0.000 0.481 387 G N 0.851 109.724 108.800 0.122 0.000 2.527 387 G HA2 0.345 4.303 3.960 -0.004 0.000 0.248 387 G HA3 0.345 4.303 3.960 -0.004 0.000 0.248 387 G C -1.587 173.170 174.900 -0.238 0.000 1.231 387 G CA -1.415 43.670 45.100 -0.025 0.000 0.838 387 G HN 0.486 nan 8.290 nan 0.000 0.570 388 P HA -0.057 nan 4.420 nan 0.000 0.222 388 P C 0.779 177.466 177.300 -1.022 0.000 1.147 388 P CA 1.190 63.401 63.100 -1.481 0.000 0.790 388 P CB 0.115 30.629 31.700 -1.976 0.000 0.780 389 F N -0.331 119.433 119.950 -0.311 0.000 2.724 389 F HA 0.224 4.749 4.527 -0.004 0.000 0.306 389 F C 1.472 177.200 175.800 -0.120 0.000 1.100 389 F CA -0.516 57.366 58.000 -0.196 0.000 1.255 389 F CB 0.479 39.376 39.000 -0.171 0.000 1.072 389 F HN -0.183 nan 8.300 nan 0.000 0.589 390 R N 0.265 120.783 120.500 0.030 0.000 2.771 390 R HA 0.825 5.163 4.340 -0.004 0.000 0.274 390 R C -0.876 175.435 176.300 0.017 0.000 0.987 390 R CA -0.974 55.142 56.100 0.027 0.000 0.908 390 R CB 1.388 31.709 30.300 0.035 0.000 1.213 390 R HN -0.109 nan 8.270 nan 0.000 0.468 391 A N 1.943 124.776 122.820 0.021 0.000 2.346 391 A HA 0.277 4.594 4.320 -0.004 0.000 0.252 391 A C 0.055 177.661 177.584 0.035 0.000 1.089 391 A CA -0.555 51.501 52.037 0.031 0.000 0.797 391 A CB 0.234 19.248 19.000 0.023 0.000 1.047 391 A HN 0.889 nan 8.150 nan 0.000 0.494 392 R N 0.570 121.097 120.500 0.045 0.000 2.449 392 R HA 0.387 4.724 4.340 -0.004 0.000 0.296 392 R C 0.646 176.942 176.300 -0.007 0.000 1.047 392 R CA 0.532 56.656 56.100 0.039 0.000 1.018 392 R CB -0.301 30.045 30.300 0.076 0.000 0.962 392 R HN 1.975 nan 8.270 nan 0.000 0.428 393 G N 2.327 111.105 108.800 -0.038 0.000 2.371 393 G HA2 -0.334 3.624 3.960 -0.004 0.000 0.299 393 G HA3 -0.334 3.624 3.960 -0.004 0.000 0.299 393 G C -0.251 174.636 174.900 -0.021 0.000 1.014 393 G CA 0.608 45.679 45.100 -0.049 0.000 1.097 393 G HN 0.812 nan 8.290 nan 0.000 0.512 394 E N -0.614 119.582 120.200 -0.006 0.000 2.191 394 E HA 0.509 4.856 4.350 -0.004 0.000 0.274 394 E C 0.175 176.776 176.600 0.002 0.000 0.948 394 E CA -1.172 55.228 56.400 0.000 0.000 0.802 394 E CB 0.703 30.408 29.700 0.008 0.000 1.137 394 E HN 0.043 nan 8.360 nan 0.000 0.397 395 K N 3.200 123.600 120.400 0.001 0.000 2.292 395 K HA 0.209 4.527 4.320 -0.004 0.000 0.290 395 K C -1.618 174.985 176.600 0.005 0.000 1.083 395 K CA -0.205 56.083 56.287 0.002 0.000 0.918 395 K CB 0.289 32.789 32.500 -0.001 0.000 1.089 395 K HN 0.173 nan 8.250 nan 0.000 0.473 396 V N 4.296 124.216 119.914 0.009 0.000 2.524 396 V HA 0.262 4.380 4.120 -0.004 0.000 0.297 396 V C -0.197 175.903 176.094 0.010 0.000 1.035 396 V CA -1.031 61.275 62.300 0.009 0.000 0.867 396 V CB 1.473 33.304 31.823 0.013 0.000 1.004 396 V HN 0.702 nan 8.190 nan 0.000 0.426 397 E N 2.795 122.999 120.200 0.006 0.000 2.392 397 E HA 0.196 4.544 4.350 -0.004 0.000 0.256 397 E C 0.908 177.513 176.600 0.008 0.000 1.145 397 E CA -0.139 56.266 56.400 0.008 0.000 0.929 397 E CB 0.548 30.250 29.700 0.003 0.000 0.998 397 E HN 0.581 nan 8.360 nan 0.000 0.442 398 N N 1.439 120.147 118.700 0.015 0.000 2.104 398 N HA -0.175 4.562 4.740 -0.004 0.000 0.190 398 N C 1.178 176.693 175.510 0.008 0.000 1.024 398 N CA 1.182 54.245 53.050 0.021 0.000 0.853 398 N CB -0.026 38.486 38.487 0.041 0.000 1.008 398 N HN 0.311 nan 8.380 nan 0.000 0.424 399 K N 0.660 121.060 120.400 0.001 0.000 2.063 399 K HA -0.100 4.217 4.320 -0.004 0.000 0.208 399 K C 1.808 178.395 176.600 -0.021 0.000 1.048 399 K CA 0.946 57.227 56.287 -0.010 0.000 0.928 399 K CB 0.043 32.534 32.500 -0.014 0.000 0.713 399 K HN 0.161 nan 8.250 nan 0.000 0.442 400 E N 0.685 120.874 120.200 -0.018 0.000 2.107 400 E HA -0.154 4.194 4.350 -0.004 0.000 0.191 400 E C 1.982 178.558 176.600 -0.039 0.000 0.982 400 E CA 0.609 56.995 56.400 -0.024 0.000 0.809 400 E CB 0.042 29.734 29.700 -0.013 0.000 0.756 400 E HN 0.109 nan 8.360 nan 0.000 0.459 401 L N 1.867 123.068 121.223 -0.037 0.000 2.083 401 L HA -0.163 4.175 4.340 -0.004 0.000 0.209 401 L C 2.421 179.214 176.870 -0.128 0.000 1.083 401 L CA 1.829 56.630 54.840 -0.064 0.000 0.752 401 L CB -0.499 41.540 42.059 -0.034 0.000 0.899 401 L HN -0.018 nan 8.230 nan 0.000 0.433 402 K N -1.411 118.937 120.400 -0.088 0.000 2.057 402 K HA -0.200 4.117 4.320 -0.004 0.000 0.207 402 K C 2.010 178.533 176.600 -0.128 0.000 1.049 402 K CA 1.368 57.595 56.287 -0.100 0.000 0.931 402 K CB -0.012 32.469 32.500 -0.031 0.000 0.714 402 K HN 0.394 nan 8.250 nan 0.000 0.440 403 Q N 0.425 120.168 119.800 -0.095 0.000 2.079 403 Q HA -0.110 4.228 4.340 -0.004 0.000 0.200 403 Q C 2.181 178.111 176.000 -0.117 0.000 0.974 403 Q CA 1.254 57.005 55.803 -0.087 0.000 0.840 403 Q CB -0.139 28.568 28.738 -0.053 0.000 0.898 403 Q HN 0.367 nan 8.270 nan 0.000 0.430 404 R N -0.028 120.391 120.500 -0.135 0.000 2.080 404 R HA -0.098 4.240 4.340 -0.004 0.000 0.236 404 R C 2.437 178.522 176.300 -0.359 0.000 1.137 404 R CA 1.451 57.468 56.100 -0.138 0.000 0.943 404 R CB -0.516 29.751 30.300 -0.055 0.000 0.846 404 R HN 0.060 nan 8.270 nan 0.000 0.431 405 V N 1.633 121.146 119.914 -0.669 0.000 2.392 405 V HA -0.228 3.889 4.120 -0.004 0.000 0.249 405 V C 2.273 178.109 176.094 -0.431 0.000 1.059 405 V CA 1.654 63.354 62.300 -1.000 0.000 1.051 405 V CB -0.408 30.961 31.823 -0.757 0.000 0.658 405 V HN 0.304 nan 8.190 nan 0.000 0.455 406 L N -0.805 120.260 121.223 -0.263 0.000 2.179 406 L HA -0.073 4.265 4.340 -0.004 0.000 0.208 406 L C 2.296 179.118 176.870 -0.081 0.000 1.096 406 L CA 1.436 56.186 54.840 -0.150 0.000 0.779 406 L CB -0.272 41.718 42.059 -0.115 0.000 0.922 406 L HN 0.402 nan 8.230 nan 0.000 0.443 407 E N -1.677 118.483 120.200 -0.067 0.000 2.391 407 E HA 0.036 4.383 4.350 -0.004 0.000 0.206 407 E C 0.718 177.333 176.600 0.025 0.000 0.851 407 E CA -0.213 56.177 56.400 -0.017 0.000 1.059 407 E CB 0.554 30.241 29.700 -0.021 0.000 1.065 407 E HN 0.230 nan 8.360 nan 0.000 0.512 408 Q N 1.582 121.415 119.800 0.056 0.000 2.286 408 Q HA 0.369 4.706 4.340 -0.004 0.000 0.257 408 Q C -0.865 175.222 176.000 0.145 0.000 0.941 408 Q CA -0.370 55.497 55.803 0.106 0.000 0.912 408 Q CB 1.066 29.899 28.738 0.158 0.000 1.192 408 Q HN 0.079 nan 8.270 nan 0.000 0.410 409 A N 3.799 126.656 122.820 0.062 0.000 2.401 409 A HA 0.333 4.651 4.320 -0.004 0.000 0.259 409 A C -0.330 177.208 177.584 -0.077 0.000 1.103 409 A CA -0.512 51.539 52.037 0.023 0.000 0.789 409 A CB 0.677 19.684 19.000 0.012 0.000 1.035 409 A HN 0.602 nan 8.150 nan 0.000 0.491 410 V N 2.965 122.763 119.914 -0.193 0.000 2.530 410 V HA 0.388 4.506 4.120 -0.004 0.000 0.282 410 V C 1.085 176.861 176.094 -0.531 0.000 1.048 410 V CA 0.376 62.381 62.300 -0.492 0.000 0.997 410 V CB 1.010 32.399 31.823 -0.723 0.000 0.987 410 V HN 1.080 nan 8.190 nan 0.000 0.477 411 T N 2.748 117.012 114.554 -0.484 0.000 2.929 411 T HA 0.661 5.009 4.350 -0.004 0.000 0.284 411 T C -1.030 173.380 174.700 -0.484 0.000 1.014 411 T CA -0.507 61.388 62.100 -0.342 0.000 1.051 411 T CB 1.140 69.936 68.868 -0.120 0.000 1.028 411 T HN 0.378 nan 8.240 nan 0.000 0.485 412 Y N 2.153 122.438 120.300 -0.026 0.000 2.326 412 Y HA 0.474 5.022 4.550 -0.004 0.000 0.331 412 Y C -1.776 174.163 175.900 0.065 0.000 0.962 412 Y CA -2.028 56.025 58.100 -0.079 0.000 1.167 412 Y CB 1.386 39.662 38.460 -0.306 0.000 1.148 412 Y HN 0.642 nan 8.280 nan 0.000 0.463 413 P HA 0.047 nan 4.420 nan 0.000 0.274 413 P C 0.020 177.454 177.300 0.222 0.000 1.260 413 P CA -0.147 63.075 63.100 0.203 0.000 0.793 413 P CB 1.307 33.094 31.700 0.146 0.000 1.048 414 D N -0.043 120.426 120.400 0.116 0.000 2.263 414 D HA -0.138 4.499 4.640 -0.004 0.000 0.208 414 D C 1.577 177.908 176.300 0.051 0.000 0.971 414 D CA 1.142 55.190 54.000 0.081 0.000 0.867 414 D CB -0.013 40.811 40.800 0.041 0.000 0.929 414 D HN 0.456 nan 8.370 nan 0.000 0.492 415 K N -0.371 120.033 120.400 0.006 0.000 2.281 415 K HA -0.101 4.216 4.320 -0.004 0.000 0.203 415 K C 0.359 176.822 176.600 -0.228 0.000 1.046 415 K CA 0.451 56.655 56.287 -0.138 0.000 0.938 415 K CB 0.015 32.369 32.500 -0.244 0.000 0.737 415 K HN -0.015 nan 8.250 nan 0.000 0.458 416 F N 0.502 120.417 119.950 -0.059 0.000 2.389 416 F HA 0.068 4.592 4.527 -0.004 0.000 0.337 416 F C 1.060 176.822 175.800 -0.063 0.000 1.112 416 F CA -0.658 57.299 58.000 -0.072 0.000 1.192 416 F CB 0.976 39.931 39.000 -0.076 0.000 1.185 416 F HN -0.067 nan 8.300 nan 0.000 0.552 417 S N 2.520 118.284 115.700 0.106 0.000 2.655 417 S HA 0.355 4.822 4.470 -0.004 0.000 0.265 417 S C -2.022 172.607 174.600 0.048 0.000 1.240 417 S CA -1.118 57.111 58.200 0.048 0.000 0.986 417 S CB 1.286 64.492 63.200 0.009 0.000 0.985 417 S HN 0.352 nan 8.310 nan 0.000 0.562 418 P HA -0.009 nan 4.420 nan 0.000 0.215 418 P C 1.591 178.900 177.300 0.014 0.000 1.153 418 P CA 1.880 64.979 63.100 -0.002 0.000 0.853 418 P CB -0.341 31.357 31.700 -0.002 0.000 0.788 419 A N 0.253 123.093 122.820 0.033 0.000 1.902 419 A HA -0.200 4.118 4.320 -0.004 0.000 0.217 419 A C 2.407 180.043 177.584 0.087 0.000 1.181 419 A CA 2.530 54.618 52.037 0.084 0.000 0.623 419 A CB -1.641 17.377 19.000 0.029 0.000 0.818 419 A HN 0.357 nan 8.150 nan 0.000 0.443 420 S N -0.264 115.469 115.700 0.055 0.000 2.387 420 S HA -0.158 4.309 4.470 -0.004 0.000 0.226 420 S C 1.962 176.598 174.600 0.060 0.000 1.026 420 S CA 1.404 59.673 58.200 0.114 0.000 0.972 420 S CB -0.351 62.975 63.200 0.210 0.000 0.814 420 S HN 0.603 nan 8.310 nan 0.000 0.477 421 K N 1.425 121.768 120.400 -0.095 0.000 1.991 421 K HA -0.237 4.081 4.320 -0.004 0.000 0.212 421 K C 1.997 178.343 176.600 -0.424 0.000 1.049 421 K CA 2.086 58.037 56.287 -0.561 0.000 0.932 421 K CB -0.591 31.613 32.500 -0.492 0.000 0.717 421 K HN 0.418 nan 8.250 nan 0.000 0.441 422 D N -0.587 119.730 120.400 -0.139 0.000 2.123 422 D HA -0.193 4.445 4.640 -0.004 0.000 0.196 422 D C 1.781 178.104 176.300 0.038 0.000 0.992 422 D CA 1.086 55.089 54.000 0.004 0.000 0.833 422 D CB -0.122 40.782 40.800 0.173 0.000 0.954 422 D HN 0.249 nan 8.370 nan 0.000 0.455 423 F N 0.399 120.226 119.950 -0.206 0.000 2.102 423 F HA -0.173 4.352 4.527 -0.003 0.000 0.298 423 F C 2.274 177.970 175.800 -0.174 0.000 1.105 423 F CA 1.055 58.801 58.000 -0.424 0.000 1.239 423 F CB -0.533 38.132 39.000 -0.559 0.000 0.991 423 F HN 0.133 nan 8.300 nan 0.000 0.474 424 C N 0.357 119.624 119.300 -0.056 0.000 2.432 424 C HA -0.163 4.294 4.460 -0.004 0.000 0.277 424 C C 2.710 177.662 174.990 -0.063 0.000 1.249 424 C CA 1.206 60.199 59.018 -0.041 0.000 1.725 424 C CB -1.125 26.675 27.740 0.101 0.000 2.028 424 C HN 0.500 nan 8.230 nan 0.000 0.477 425 E N 0.736 120.889 120.200 -0.078 0.000 2.097 425 E HA -0.239 4.108 4.350 -0.004 0.000 0.196 425 E C 2.326 178.908 176.600 -0.029 0.000 1.000 425 E CA 1.522 57.917 56.400 -0.008 0.000 0.804 425 E CB -0.270 29.403 29.700 -0.046 0.000 0.740 425 E HN 0.691 nan 8.360 nan 0.000 0.454 426 A N 0.791 123.554 122.820 -0.094 0.000 1.933 426 A HA -0.134 4.184 4.320 -0.004 0.000 0.218 426 A C 2.127 179.635 177.584 -0.126 0.000 1.175 426 A CA 1.018 52.995 52.037 -0.100 0.000 0.628 426 A CB -0.387 18.533 19.000 -0.133 0.000 0.814 426 A HN 0.136 nan 8.150 nan 0.000 0.444 427 L N -1.187 119.908 121.223 -0.213 0.000 2.209 427 L HA 0.075 4.412 4.340 -0.004 0.000 0.207 427 L C 1.764 178.627 176.870 -0.012 0.000 1.094 427 L CA 0.450 55.212 54.840 -0.131 0.000 0.790 427 L CB -0.175 41.749 42.059 -0.225 0.000 0.932 427 L HN 0.299 nan 8.230 nan 0.000 0.447 428 L N -0.590 120.606 121.223 -0.045 0.000 2.592 428 L HA 0.072 4.410 4.340 -0.004 0.000 0.227 428 L C 0.634 177.651 176.870 0.244 0.000 1.127 428 L CA -0.351 54.484 54.840 -0.008 0.000 0.884 428 L CB -0.137 41.854 42.059 -0.115 0.000 1.065 428 L HN 0.157 nan 8.230 nan 0.000 0.457 429 Q N 1.533 121.440 119.800 0.177 0.000 2.320 429 Q HA -0.112 4.225 4.340 -0.004 0.000 0.311 429 Q C 1.065 177.195 176.000 0.215 0.000 1.083 429 Q CA 0.837 56.737 55.803 0.162 0.000 1.001 429 Q CB 0.578 29.379 28.738 0.105 0.000 1.074 429 Q HN 0.168 nan 8.270 nan 0.000 0.379 430 K N 2.322 122.819 120.400 0.162 0.000 2.097 430 K HA -0.093 4.225 4.320 -0.004 0.000 0.205 430 K C 0.154 176.761 176.600 0.012 0.000 1.050 430 K CA 0.864 57.200 56.287 0.081 0.000 0.938 430 K CB 0.171 32.702 32.500 0.052 0.000 0.718 430 K HN 0.604 nan 8.250 nan 0.000 0.442 431 D N 1.159 121.579 120.400 0.034 0.000 2.317 431 D HA 0.033 4.670 4.640 -0.004 0.000 0.252 431 D C -1.639 174.683 176.300 0.037 0.000 1.174 431 D CA -2.395 51.617 54.000 0.020 0.000 0.866 431 D CB 1.460 42.273 40.800 0.023 0.000 1.127 431 D HN -0.100 nan 8.370 nan 0.000 0.467 432 P HA -0.160 nan 4.420 nan 0.000 0.218 432 P C 1.045 178.379 177.300 0.057 0.000 1.149 432 P CA 0.767 63.900 63.100 0.055 0.000 0.817 432 P CB 0.540 32.269 31.700 0.047 0.000 0.785 433 E N 0.808 121.033 120.200 0.041 0.000 2.209 433 E HA -0.164 4.184 4.350 -0.004 0.000 0.196 433 E C 1.570 178.191 176.600 0.035 0.000 0.993 433 E CA 1.378 57.800 56.400 0.036 0.000 0.819 433 E CB -0.506 29.209 29.700 0.026 0.000 0.745 433 E HN 0.238 nan 8.360 nan 0.000 0.477 434 K N -0.420 120.003 120.400 0.038 0.000 2.358 434 K HA 0.141 4.458 4.320 -0.004 0.000 0.197 434 K C 0.394 177.019 176.600 0.041 0.000 1.025 434 K CA -0.269 56.040 56.287 0.036 0.000 1.104 434 K CB 0.590 33.112 32.500 0.037 0.000 0.855 434 K HN -0.098 nan 8.250 nan 0.000 0.531 435 R N 1.799 122.330 120.500 0.052 0.000 2.349 435 R HA 0.153 4.491 4.340 -0.004 0.000 0.299 435 R C -0.519 175.789 176.300 0.014 0.000 1.027 435 R CA -0.616 55.519 56.100 0.057 0.000 0.958 435 R CB 0.577 30.946 30.300 0.115 0.000 1.047 435 R HN -0.074 nan 8.270 nan 0.000 0.468 436 L N 3.506 124.714 121.223 -0.026 0.000 2.456 436 L HA 0.389 4.726 4.340 -0.004 0.000 0.272 436 L C 0.329 177.078 176.870 -0.203 0.000 1.189 436 L CA 1.458 56.246 54.840 -0.086 0.000 0.846 436 L CB 1.003 43.001 42.059 -0.102 0.000 1.111 436 L HN 0.897 nan 8.230 nan 0.000 0.475 437 G N 3.194 111.793 108.800 -0.335 0.000 2.441 437 G HA2 0.044 4.001 3.960 -0.004 0.000 0.225 437 G HA3 0.044 4.001 3.960 -0.004 0.000 0.225 437 G C -1.387 173.200 174.900 -0.520 0.000 1.200 437 G CA -0.589 43.992 45.100 -0.866 0.000 0.947 437 G HN 0.509 nan 8.290 nan 0.000 0.484 438 F N 3.048 122.684 119.950 -0.524 0.000 2.466 438 F HA 0.689 5.214 4.527 -0.004 0.000 0.363 438 F C 0.298 176.074 175.800 -0.041 0.000 1.109 438 F CA -0.520 57.407 58.000 -0.122 0.000 1.161 438 F CB 0.411 39.465 39.000 0.090 0.000 1.117 438 F HN 0.175 nan 8.300 nan 0.000 0.539 439 R N 4.078 124.348 120.500 -0.385 0.000 2.670 439 R HA 0.273 4.610 4.340 -0.004 0.000 0.289 439 R C -0.494 175.553 176.300 -0.421 0.000 0.965 439 R CA -0.960 54.975 56.100 -0.275 0.000 0.899 439 R CB 0.893 31.097 30.300 -0.161 0.000 1.173 439 R HN 0.686 nan 8.270 nan 0.000 0.456 440 D N 0.992 121.238 120.400 -0.257 0.000 2.751 440 D HA -0.181 4.457 4.640 -0.004 0.000 0.233 440 D C 0.867 176.997 176.300 -0.282 0.000 1.149 440 D CA 1.905 55.786 54.000 -0.199 0.000 0.682 440 D CB -1.119 39.596 40.800 -0.141 0.000 1.068 440 D HN 0.990 nan 8.370 nan 0.000 0.429 441 G N -1.564 106.958 108.800 -0.463 0.000 2.179 441 G HA2 -0.208 3.749 3.960 -0.004 0.000 0.260 441 G HA3 -0.208 3.749 3.960 -0.004 0.000 0.260 441 G C 0.366 174.935 174.900 -0.552 0.000 0.977 441 G CA 1.129 45.998 45.100 -0.384 0.000 0.641 441 G HN 1.506 nan 8.290 nan 0.000 0.533 442 S N -2.649 112.545 115.700 -0.843 0.000 2.752 442 S HA 0.587 5.055 4.470 -0.004 0.000 0.284 442 S C 0.290 174.612 174.600 -0.463 0.000 1.189 442 S CA 0.037 57.944 58.200 -0.488 0.000 0.835 442 S CB 1.553 64.598 63.200 -0.259 0.000 1.192 442 S HN 0.709 nan 8.310 nan 0.000 0.506 443 C N 0.995 120.171 119.300 -0.208 0.000 2.778 443 C HA 0.395 4.853 4.460 -0.004 0.000 0.294 443 C C 1.356 176.184 174.990 -0.271 0.000 1.331 443 C CA -0.291 58.619 59.018 -0.179 0.000 1.741 443 C CB -1.940 25.736 27.740 -0.106 0.000 2.106 443 C HN 0.878 nan 8.230 nan 0.000 0.603 444 D N 1.706 121.941 120.400 -0.276 0.000 2.149 444 D HA -0.074 4.564 4.640 -0.004 0.000 0.198 444 D C 2.250 178.428 176.300 -0.204 0.000 0.990 444 D CA 1.855 55.687 54.000 -0.281 0.000 0.839 444 D CB -0.276 40.394 40.800 -0.217 0.000 0.948 444 D HN 0.539 nan 8.370 nan 0.000 0.460 445 G N 0.846 109.556 108.800 -0.150 0.000 2.421 445 G HA2 -0.243 3.714 3.960 -0.004 0.000 0.216 445 G HA3 -0.243 3.714 3.960 -0.004 0.000 0.216 445 G C 1.629 176.524 174.900 -0.009 0.000 1.171 445 G CA 0.699 45.754 45.100 -0.074 0.000 0.775 445 G HN 0.361 nan 8.290 nan 0.000 0.543 446 L N 0.170 121.383 121.223 -0.018 0.000 2.042 446 L HA -0.044 4.294 4.340 -0.004 0.000 0.210 446 L C 2.862 179.852 176.870 0.201 0.000 1.076 446 L CA 1.397 56.322 54.840 0.142 0.000 0.749 446 L CB -0.228 41.889 42.059 0.096 0.000 0.893 446 L HN 0.120 nan 8.230 nan 0.000 0.432 447 R N -0.967 119.434 120.500 -0.164 0.000 2.355 447 R HA -0.120 4.218 4.340 -0.004 0.000 0.219 447 R C 1.729 178.084 176.300 0.092 0.000 1.107 447 R CA 1.312 57.166 56.100 -0.409 0.000 1.021 447 R CB -0.378 29.244 30.300 -1.131 0.000 0.852 447 R HN 0.403 nan 8.270 nan 0.000 0.475 448 T N -0.680 113.966 114.554 0.154 0.000 3.081 448 T HA -0.041 4.307 4.350 -0.004 0.000 0.255 448 T C 0.406 175.268 174.700 0.270 0.000 1.113 448 T CA 0.056 62.266 62.100 0.182 0.000 1.082 448 T CB -0.125 68.791 68.868 0.081 0.000 0.939 448 T HN 0.224 nan 8.240 nan 0.000 0.506 449 H N 2.709 121.973 119.070 0.324 0.000 2.964 449 H HA 0.045 4.599 4.556 -0.004 0.000 0.328 449 H C -1.606 173.819 175.328 0.161 0.000 1.030 449 H CA -1.461 54.741 56.048 0.257 0.000 1.445 449 H CB 1.637 31.610 29.762 0.353 0.000 1.449 449 H HN 0.043 nan 8.280 nan 0.000 0.581 450 P HA -0.185 nan 4.420 nan 0.000 0.221 450 P C 1.807 179.121 177.300 0.024 0.000 1.145 450 P CA 0.356 63.464 63.100 0.014 0.000 0.795 450 P CB 0.221 31.875 31.700 -0.076 0.000 0.775 451 L N -0.722 120.520 121.223 0.032 0.000 2.137 451 L HA -0.128 4.209 4.340 -0.004 0.000 0.213 451 L C 1.651 178.258 176.870 -0.438 0.000 1.085 451 L CA 1.791 56.429 54.840 -0.335 0.000 0.760 451 L CB -1.396 40.162 42.059 -0.835 0.000 0.893 451 L HN -0.125 nan 8.230 nan 0.000 0.434 452 F N -0.400 119.550 119.950 0.001 0.000 2.639 452 F HA 0.172 4.696 4.527 -0.004 0.000 0.300 452 F C 1.981 177.765 175.800 -0.027 0.000 1.109 452 F CA -0.278 57.703 58.000 -0.031 0.000 1.335 452 F CB -0.314 38.795 39.000 0.182 0.000 1.014 452 F HN 0.087 nan 8.300 nan 0.000 0.537 453 R N 0.018 120.580 120.500 0.103 0.000 2.091 453 R HA -0.165 4.172 4.340 -0.004 0.000 0.238 453 R C 0.610 176.926 176.300 0.026 0.000 1.136 453 R CA 2.009 58.152 56.100 0.071 0.000 0.959 453 R CB -0.668 29.651 30.300 0.032 0.000 0.856 453 R HN 0.165 nan 8.270 nan 0.000 0.437 454 D N 0.555 120.949 120.400 -0.011 0.000 2.347 454 D HA 0.123 4.760 4.640 -0.004 0.000 0.213 454 D C 0.556 176.811 176.300 -0.077 0.000 0.985 454 D CA 0.337 54.315 54.000 -0.036 0.000 0.879 454 D CB 0.148 40.925 40.800 -0.039 0.000 0.919 454 D HN 0.138 nan 8.370 nan 0.000 0.526 455 I N 1.255 121.741 120.570 -0.139 0.000 2.496 455 I HA -0.013 4.155 4.170 -0.004 0.000 0.285 455 I C 0.795 176.691 176.117 -0.368 0.000 1.080 455 I CA -0.085 61.028 61.300 -0.313 0.000 1.404 455 I CB 1.014 38.653 38.000 -0.603 0.000 1.403 455 I HN -0.192 nan 8.210 nan 0.000 0.539 456 S N 6.061 121.606 115.700 -0.258 0.000 2.411 456 S HA 0.157 4.625 4.470 -0.004 0.000 0.294 456 S C 0.670 175.168 174.600 -0.170 0.000 1.115 456 S CA -0.528 57.582 58.200 -0.149 0.000 1.071 456 S CB 0.222 63.392 63.200 -0.050 0.000 0.967 456 S HN 0.519 nan 8.310 nan 0.000 0.488 457 W N 4.466 125.749 121.300 -0.029 0.000 2.418 457 W HA 0.038 4.695 4.660 -0.004 0.000 0.292 457 W C 2.593 179.098 176.519 -0.023 0.000 1.213 457 W CA 0.649 57.957 57.345 -0.061 0.000 1.283 457 W CB -0.081 29.322 29.460 -0.095 0.000 1.119 457 W HN 0.704 nan 8.180 nan 0.000 0.542 458 R N 0.907 121.534 120.500 0.210 0.000 2.096 458 R HA -0.189 4.149 4.340 -0.004 0.000 0.235 458 R C 1.727 178.093 176.300 0.110 0.000 1.127 458 R CA 1.894 58.078 56.100 0.141 0.000 0.968 458 R CB -0.548 29.809 30.300 0.094 0.000 0.861 458 R HN 0.258 nan 8.270 nan 0.000 0.440 459 Q N 0.423 120.268 119.800 0.076 0.000 2.137 459 Q HA -0.084 4.253 4.340 -0.004 0.000 0.198 459 Q C 2.240 178.294 176.000 0.090 0.000 0.960 459 Q CA 1.075 56.914 55.803 0.061 0.000 0.847 459 Q CB -0.042 28.715 28.738 0.031 0.000 0.915 459 Q HN 0.296 nan 8.270 nan 0.000 0.448 460 L N 1.342 122.611 121.223 0.077 0.000 1.989 460 L HA -0.223 4.115 4.340 -0.004 0.000 0.211 460 L C 1.882 178.918 176.870 0.277 0.000 1.071 460 L CA 1.773 56.671 54.840 0.095 0.000 0.749 460 L CB -0.076 41.936 42.059 -0.078 0.000 0.890 460 L HN 0.142 nan 8.230 nan 0.000 0.431 461 E N -0.738 119.639 120.200 0.296 0.000 2.265 461 E HA -0.162 4.186 4.350 -0.004 0.000 0.196 461 E C 1.772 178.521 176.600 0.248 0.000 0.996 461 E CA 0.822 57.458 56.400 0.392 0.000 0.832 461 E CB -0.156 29.718 29.700 0.289 0.000 0.756 461 E HN 0.648 nan 8.360 nan 0.000 0.491 462 A N -0.080 122.831 122.820 0.153 0.000 2.308 462 A HA 0.347 4.664 4.320 -0.004 0.000 0.217 462 A C 1.573 179.177 177.584 0.034 0.000 1.216 462 A CA 0.562 52.643 52.037 0.073 0.000 0.864 462 A CB 0.062 19.100 19.000 0.063 0.000 0.902 462 A HN 0.266 nan 8.150 nan 0.000 0.499 463 G N -0.897 107.941 108.800 0.063 0.000 2.147 463 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.244 463 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.244 463 G C 0.699 175.636 174.900 0.062 0.000 1.005 463 G CA 0.635 45.761 45.100 0.044 0.000 0.713 463 G HN 0.250 nan 8.290 nan 0.000 0.515 464 M N -0.711 118.931 119.600 0.071 0.000 2.476 464 M HA 0.339 4.817 4.480 -0.004 0.000 0.262 464 M C 1.645 177.984 176.300 0.065 0.000 1.111 464 M CA 0.542 55.873 55.300 0.051 0.000 1.127 464 M CB -0.405 32.216 32.600 0.035 0.000 1.376 464 M HN 0.292 nan 8.290 nan 0.000 0.465 465 L N 0.645 121.937 121.223 0.115 0.000 2.453 465 L HA 0.126 4.463 4.340 -0.004 0.000 0.261 465 L C 0.411 177.336 176.870 0.093 0.000 1.179 465 L CA -0.152 54.763 54.840 0.125 0.000 0.813 465 L CB 0.620 42.822 42.059 0.239 0.000 1.110 465 L HN -0.002 nan 8.230 nan 0.000 0.466 466 T N 2.918 117.466 114.554 -0.009 0.000 2.761 466 T HA 0.239 4.586 4.350 -0.004 0.000 0.296 466 T C -2.189 172.331 174.700 -0.300 0.000 0.934 466 T CA -0.866 61.173 62.100 -0.102 0.000 1.091 466 T CB 0.781 69.585 68.868 -0.107 0.000 0.896 466 T HN 0.313 nan 8.240 nan 0.000 0.515 467 P HA 0.158 nan 4.420 nan 0.000 0.269 467 P C -1.590 175.394 177.300 -0.526 0.000 1.215 467 P CA -1.372 61.342 63.100 -0.643 0.000 0.780 467 P CB 0.259 31.834 31.700 -0.207 0.000 0.898 468 P HA -0.010 nan 4.420 nan 0.000 0.225 468 P C -0.214 176.997 177.300 -0.148 0.000 1.156 468 P CA 1.099 63.963 63.100 -0.392 0.000 0.787 468 P CB 0.201 31.610 31.700 -0.484 0.000 0.802 469 F N -0.042 119.746 119.950 -0.269 0.000 2.596 469 F HA 0.475 4.999 4.527 -0.004 0.000 0.311 469 F C -1.846 173.881 175.800 -0.121 0.000 1.116 469 F CA -1.158 56.737 58.000 -0.174 0.000 0.957 469 F CB 1.760 40.649 39.000 -0.184 0.000 1.250 469 F HN -0.448 nan 8.300 nan 0.000 0.444 470 V N 7.084 126.405 119.914 -0.988 0.000 2.409 470 V HA 0.520 4.638 4.120 -0.004 0.000 0.291 470 V C -2.057 173.373 176.094 -1.106 0.000 1.020 470 V CA -1.451 60.379 62.300 -0.784 0.000 0.848 470 V CB 1.402 32.993 31.823 -0.387 0.000 0.990 470 V HN 0.694 nan 8.190 nan 0.000 0.430 471 P HA 0.348 nan 4.420 nan 0.000 0.278 471 P C -1.085 176.132 177.300 -0.138 0.000 1.266 471 P CA -0.267 62.647 63.100 -0.309 0.000 0.807 471 P CB 0.997 32.740 31.700 0.071 0.000 1.094 483 D N 2.245 122.627 120.400 -0.029 0.000 2.826 483 D HA 0.037 4.675 4.640 -0.004 0.000 0.247 483 D C 1.248 177.524 176.300 -0.041 0.000 1.238 483 D CA 0.332 54.319 54.000 -0.023 0.000 0.894 483 D CB 0.158 40.955 40.800 -0.004 0.000 1.100 483 D HN 0.283 nan 8.370 nan 0.000 0.453 484 V N 0.144 120.016 119.914 -0.070 0.000 2.546 484 V HA -0.109 4.009 4.120 -0.004 0.000 0.254 484 V C 1.673 177.705 176.094 -0.104 0.000 1.076 484 V CA 1.683 63.923 62.300 -0.100 0.000 1.087 484 V CB -0.980 30.753 31.823 -0.150 0.000 0.674 484 V HN 0.653 nan 8.190 nan 0.000 0.470 485 G N -1.311 107.442 108.800 -0.080 0.000 2.418 485 G HA2 0.269 4.226 3.960 -0.004 0.000 0.206 485 G HA3 0.269 4.226 3.960 -0.004 0.000 0.206 485 G C -0.407 174.462 174.900 -0.052 0.000 1.202 485 G CA -0.163 44.908 45.100 -0.049 0.000 1.061 485 G HN 1.263 nan 8.290 nan 0.000 0.563 486 A N -0.912 121.894 122.820 -0.023 0.000 2.356 486 A HA 0.872 5.189 4.320 -0.004 0.000 0.323 486 A C -0.441 177.162 177.584 0.032 0.000 1.119 486 A CA -0.515 51.562 52.037 0.067 0.000 0.790 486 A CB 0.883 19.961 19.000 0.130 0.000 1.273 486 A HN 1.222 nan 8.150 nan 0.000 0.452 487 F N 1.131 121.100 119.950 0.033 0.000 2.450 487 F HA 0.274 4.799 4.527 -0.004 0.000 0.339 487 F C 1.492 177.308 175.800 0.027 0.000 1.146 487 F CA 0.149 58.164 58.000 0.025 0.000 1.267 487 F CB 0.699 39.718 39.000 0.030 0.000 1.178 487 F HN 0.501 nan 8.300 nan 0.000 0.585 488 S N 0.338 116.154 115.700 0.192 0.000 2.465 488 S HA 0.055 4.523 4.470 -0.004 0.000 0.307 488 S C 0.055 174.726 174.600 0.118 0.000 1.187 488 S CA -0.836 57.435 58.200 0.117 0.000 1.141 488 S CB -0.784 62.462 63.200 0.077 0.000 1.108 488 S HN 0.602 nan 8.310 nan 0.000 0.525 489 T N 4.714 119.328 114.554 0.099 0.000 2.609 489 T HA 0.088 4.435 4.350 -0.004 0.000 0.257 489 T C 0.977 175.712 174.700 0.057 0.000 1.032 489 T CA 0.015 62.161 62.100 0.077 0.000 1.244 489 T CB -0.907 67.995 68.868 0.056 0.000 1.003 489 T HN 0.762 nan 8.240 nan 0.000 0.507 490 V N 2.244 122.193 119.914 0.059 0.000 2.999 490 V HA 0.334 4.451 4.120 -0.004 0.000 0.307 490 V C 0.381 176.487 176.094 0.020 0.000 1.084 490 V CA -0.533 61.795 62.300 0.047 0.000 1.155 490 V CB 0.496 32.353 31.823 0.057 0.000 0.975 490 V HN 0.489 nan 8.190 nan 0.000 0.490 491 K N 2.285 122.693 120.400 0.014 0.000 2.156 491 K HA 0.595 4.913 4.320 -0.004 0.000 0.254 491 K C 0.765 177.359 176.600 -0.011 0.000 0.950 491 K CA 0.066 56.353 56.287 -0.001 0.000 0.849 491 K CB 1.276 33.778 32.500 0.004 0.000 1.100 491 K HN 1.653 nan 8.250 nan 0.000 0.434 492 G N 0.413 109.198 108.800 -0.026 0.000 2.225 492 G HA2 -0.200 3.758 3.960 -0.004 0.000 0.264 492 G HA3 -0.200 3.758 3.960 -0.004 0.000 0.264 492 G C -0.413 174.458 174.900 -0.047 0.000 1.060 492 G CA -0.043 45.038 45.100 -0.031 0.000 0.833 492 G HN 0.281 nan 8.290 nan 0.000 0.498 493 V N 0.197 120.060 119.914 -0.085 0.000 2.325 493 V HA 0.772 4.890 4.120 -0.004 0.000 0.280 493 V C 0.544 176.468 176.094 -0.284 0.000 1.016 493 V CA -0.310 61.910 62.300 -0.133 0.000 0.818 493 V CB 1.128 32.887 31.823 -0.107 0.000 1.019 493 V HN 1.159 nan 8.190 nan 0.000 0.434 494 A N 4.780 127.469 122.820 -0.218 0.000 2.306 494 A HA 0.914 5.232 4.320 -0.004 0.000 0.330 494 A C -0.786 176.690 177.584 -0.179 0.000 1.146 494 A CA -0.474 51.407 52.037 -0.259 0.000 0.827 494 A CB 0.827 19.766 19.000 -0.101 0.000 1.178 494 A HN 0.626 nan 8.150 nan 0.000 0.490 495 F N 1.045 121.044 119.950 0.081 0.000 2.408 495 F HA 0.320 4.844 4.527 -0.004 0.000 0.344 495 F C 0.906 176.737 175.800 0.051 0.000 1.112 495 F CA -0.444 57.609 58.000 0.089 0.000 1.096 495 F CB 1.414 40.501 39.000 0.145 0.000 1.129 495 F HN 0.607 nan 8.300 nan 0.000 0.486 496 E N 1.939 122.283 120.200 0.240 0.000 2.280 496 E HA 0.117 4.465 4.350 -0.004 0.000 0.261 496 E C 0.690 177.341 176.600 0.086 0.000 1.088 496 E CA -0.721 55.753 56.400 0.123 0.000 0.915 496 E CB 1.360 31.106 29.700 0.076 0.000 1.141 496 E HN 0.580 nan 8.360 nan 0.000 0.433 497 K N 1.032 121.464 120.400 0.052 0.000 2.089 497 K HA -0.267 4.050 4.320 -0.004 0.000 0.210 497 K C 1.909 178.501 176.600 -0.014 0.000 1.048 497 K CA 1.773 58.074 56.287 0.023 0.000 0.926 497 K CB -0.247 32.266 32.500 0.020 0.000 0.714 497 K HN 0.568 nan 8.250 nan 0.000 0.448 498 A N 1.627 124.441 122.820 -0.009 0.000 1.917 498 A HA -0.251 4.067 4.320 -0.004 0.000 0.219 498 A C 1.732 179.259 177.584 -0.095 0.000 1.182 498 A CA 2.158 54.180 52.037 -0.025 0.000 0.633 498 A CB -0.675 18.326 19.000 0.000 0.000 0.819 498 A HN 0.469 nan 8.150 nan 0.000 0.448 499 D N -0.606 119.711 120.400 -0.139 0.000 2.084 499 D HA -0.114 4.523 4.640 -0.004 0.000 0.194 499 D C 1.999 177.789 176.300 -0.850 0.000 0.990 499 D CA 1.972 55.691 54.000 -0.469 0.000 0.826 499 D CB -0.777 39.842 40.800 -0.302 0.000 0.971 499 D HN 0.408 nan 8.370 nan 0.000 0.453 500 T N 1.714 116.027 114.554 -0.402 0.000 2.759 500 T HA -0.142 4.205 4.350 -0.004 0.000 0.269 500 T C 1.698 176.300 174.700 -0.164 0.000 1.042 500 T CA 1.043 63.023 62.100 -0.200 0.000 1.140 500 T CB -0.050 68.806 68.868 -0.020 0.000 0.864 500 T HN 0.145 nan 8.240 nan 0.000 0.455 501 E N 0.463 120.578 120.200 -0.141 0.000 2.107 501 E HA -0.017 4.330 4.350 -0.004 0.000 0.191 501 E C 1.871 178.410 176.600 -0.101 0.000 0.982 501 E CA 0.604 56.955 56.400 -0.082 0.000 0.809 501 E CB -0.431 29.246 29.700 -0.040 0.000 0.756 501 E HN 0.578 nan 8.360 nan 0.000 0.459 502 F N 0.815 120.568 119.950 -0.329 0.000 2.146 502 F HA -0.138 4.387 4.527 -0.004 0.000 0.298 502 F C 2.010 177.668 175.800 -0.236 0.000 1.096 502 F CA 1.231 59.024 58.000 -0.345 0.000 1.275 502 F CB -0.441 38.210 39.000 -0.581 0.000 1.008 502 F HN -0.091 nan 8.300 nan 0.000 0.480 503 F N 0.442 120.180 119.950 -0.353 0.000 2.134 503 F HA -0.235 4.290 4.527 -0.004 0.000 0.299 503 F C 2.757 178.395 175.800 -0.270 0.000 1.097 503 F CA 1.128 58.880 58.000 -0.413 0.000 1.264 503 F CB -0.830 37.983 39.000 -0.312 0.000 1.001 503 F HN 0.074 nan 8.300 nan 0.000 0.479 504 Q N 0.913 120.702 119.800 -0.018 0.000 2.096 504 Q HA -0.268 4.069 4.340 -0.004 0.000 0.204 504 Q C 2.125 178.082 176.000 -0.071 0.000 0.982 504 Q CA 1.855 57.642 55.803 -0.026 0.000 0.850 504 Q CB -0.212 28.511 28.738 -0.025 0.000 0.901 504 Q HN 0.499 nan 8.270 nan 0.000 0.422 505 E N -0.594 119.526 120.200 -0.133 0.000 2.072 505 E HA -0.188 4.159 4.350 -0.004 0.000 0.191 505 E C 1.760 178.243 176.600 -0.196 0.000 0.985 505 E CA 0.912 57.221 56.400 -0.152 0.000 0.801 505 E CB -0.236 29.374 29.700 -0.149 0.000 0.750 505 E HN 0.445 nan 8.360 nan 0.000 0.452 506 F N 1.478 121.137 119.950 -0.486 0.000 2.091 506 F HA -0.142 4.382 4.527 -0.004 0.000 0.299 506 F C 1.271 176.915 175.800 -0.260 0.000 1.103 506 F CA 1.388 59.117 58.000 -0.451 0.000 1.228 506 F CB -0.160 38.462 39.000 -0.631 0.000 0.984 506 F HN -0.029 nan 8.300 nan 0.000 0.477 507 A N 0.129 122.994 122.820 0.075 0.000 3.048 507 A HA 0.255 4.573 4.320 -0.004 0.000 0.264 507 A C 1.249 178.811 177.584 -0.037 0.000 1.796 507 A CA 0.445 52.520 52.037 0.064 0.000 1.445 507 A CB -1.269 17.799 19.000 0.113 0.000 1.074 507 A HN 0.446 nan 8.150 nan 0.000 0.621 508 S N 0.092 115.715 115.700 -0.129 0.000 2.593 508 S HA 0.433 4.901 4.470 -0.004 0.000 0.217 508 S C 1.227 175.767 174.600 -0.099 0.000 0.966 508 S CA 0.586 58.711 58.200 -0.126 0.000 0.914 508 S CB -0.456 62.638 63.200 -0.176 0.000 0.776 508 S HN 2.138 nan 8.310 nan 0.000 0.523 509 G N 0.968 109.736 108.800 -0.052 0.000 2.503 509 G HA2 -0.169 3.788 3.960 -0.004 0.000 0.235 509 G HA3 -0.169 3.788 3.960 -0.004 0.000 0.235 509 G C -0.349 174.536 174.900 -0.024 0.000 1.179 509 G CA -0.328 44.762 45.100 -0.016 0.000 0.944 509 G HN 0.626 nan 8.290 nan 0.000 0.580 510 T N 0.689 115.186 114.554 -0.094 0.000 2.845 510 T HA 0.486 4.834 4.350 -0.004 0.000 0.288 510 T C 0.209 174.770 174.700 -0.231 0.000 0.980 510 T CA 0.146 62.127 62.100 -0.198 0.000 1.071 510 T CB 1.229 69.921 68.868 -0.293 0.000 0.941 510 T HN 0.812 nan 8.240 nan 0.000 0.487 511 C N 6.103 125.243 119.300 -0.267 0.000 2.394 511 C HA 0.260 4.718 4.460 -0.004 0.000 0.362 511 C C -0.748 174.167 174.990 -0.124 0.000 1.268 511 C CA -1.311 57.597 59.018 -0.184 0.000 1.828 511 C CB 0.420 28.056 27.740 -0.173 0.000 2.442 511 C HN 0.735 nan 8.230 nan 0.000 0.549 512 P HA -0.138 nan 4.420 nan 0.000 0.214 512 P C 1.478 178.808 177.300 0.051 0.000 1.163 512 P CA 1.632 64.731 63.100 -0.000 0.000 0.889 512 P CB 0.126 31.817 31.700 -0.015 0.000 0.790 513 I N -0.706 119.823 120.570 -0.068 0.000 2.163 513 I HA -0.137 4.031 4.170 -0.004 0.000 0.240 513 I C -0.543 175.511 176.117 -0.105 0.000 1.081 513 I CA 1.743 62.954 61.300 -0.149 0.000 1.353 513 I CB -2.050 35.721 38.000 -0.381 0.000 1.054 513 I HN -0.007 nan 8.210 nan 0.000 0.407 514 P HA -0.206 nan 4.420 nan 0.000 0.216 514 P C 1.300 178.638 177.300 0.063 0.000 1.150 514 P CA 1.388 64.505 63.100 0.029 0.000 0.837 514 P CB -0.161 31.565 31.700 0.043 0.000 0.786 515 W N 0.901 122.126 121.300 -0.125 0.000 2.355 515 W HA -0.170 4.488 4.660 -0.004 0.000 0.309 515 W C 2.339 178.862 176.519 0.007 0.000 1.206 515 W CA 1.670 58.974 57.345 -0.069 0.000 1.284 515 W CB -0.834 28.553 29.460 -0.122 0.000 1.145 515 W HN -0.041 nan 8.180 nan 0.000 0.502 516 Q N -0.089 119.742 119.800 0.052 0.000 2.050 516 Q HA -0.248 4.090 4.340 -0.004 0.000 0.202 516 Q C 2.071 177.920 176.000 -0.252 0.000 0.980 516 Q CA 2.081 57.788 55.803 -0.159 0.000 0.840 516 Q CB -0.511 28.208 28.738 -0.031 0.000 0.898 516 Q HN 0.426 nan 8.270 nan 0.000 0.424 517 E N 0.743 120.858 120.200 -0.142 0.000 2.070 517 E HA -0.266 4.081 4.350 -0.004 0.000 0.197 517 E C 1.966 178.492 176.600 -0.123 0.000 1.004 517 E CA 1.299 57.630 56.400 -0.114 0.000 0.805 517 E CB -0.046 29.639 29.700 -0.024 0.000 0.744 517 E HN 0.349 nan 8.360 nan 0.000 0.451 518 E N 0.160 120.296 120.200 -0.108 0.000 2.031 518 E HA -0.237 4.110 4.350 -0.004 0.000 0.193 518 E C 2.057 178.549 176.600 -0.179 0.000 0.994 518 E CA 1.165 57.513 56.400 -0.086 0.000 0.800 518 E CB 0.077 29.798 29.700 0.036 0.000 0.752 518 E HN 0.112 nan 8.360 nan 0.000 0.447 519 M N 0.592 119.964 119.600 -0.381 0.000 2.082 519 M HA -0.197 4.280 4.480 -0.004 0.000 0.258 519 M C 2.394 178.601 176.300 -0.155 0.000 1.069 519 M CA 1.446 56.543 55.300 -0.339 0.000 1.102 519 M CB -0.985 31.253 32.600 -0.605 0.000 1.336 519 M HN 0.266 nan 8.290 nan 0.000 0.404 520 I N -0.464 119.972 120.570 -0.223 0.000 2.142 520 I HA -0.284 3.884 4.170 -0.004 0.000 0.240 520 I C 2.243 178.316 176.117 -0.073 0.000 1.078 520 I CA 1.291 62.494 61.300 -0.162 0.000 1.343 520 I CB -0.537 37.287 38.000 -0.295 0.000 1.046 520 I HN 0.340 nan 8.210 nan 0.000 0.405 521 E N -0.102 120.047 120.200 -0.084 0.000 2.130 521 E HA -0.246 4.101 4.350 -0.004 0.000 0.196 521 E C 1.980 178.568 176.600 -0.021 0.000 0.998 521 E CA 1.792 58.162 56.400 -0.049 0.000 0.806 521 E CB -0.088 29.581 29.700 -0.052 0.000 0.738 521 E HN 0.307 nan 8.360 nan 0.000 0.459 522 T N -2.125 112.420 114.554 -0.015 0.000 3.065 522 T HA 0.161 4.509 4.350 -0.004 0.000 0.252 522 T C 1.099 175.820 174.700 0.034 0.000 1.099 522 T CA 0.825 62.931 62.100 0.009 0.000 1.063 522 T CB 0.215 69.091 68.868 0.014 0.000 0.948 522 T HN 0.431 nan 8.240 nan 0.000 0.506 523 G N 0.085 108.913 108.800 0.046 0.000 2.213 523 G HA2 -0.272 3.685 3.960 -0.004 0.000 0.236 523 G HA3 -0.272 3.685 3.960 -0.004 0.000 0.236 523 G C 1.063 176.032 174.900 0.114 0.000 0.991 523 G CA 0.397 45.542 45.100 0.075 0.000 0.629 523 G HN 0.437 nan 8.290 nan 0.000 0.517 524 V N 0.622 120.611 119.914 0.124 0.000 2.427 524 V HA -0.008 4.109 4.120 -0.004 0.000 0.248 524 V C 2.198 178.466 176.094 0.290 0.000 1.051 524 V CA 2.401 64.813 62.300 0.187 0.000 1.048 524 V CB -0.694 31.243 31.823 0.191 0.000 0.666 524 V HN 0.478 nan 8.190 nan 0.000 0.456 525 F N 2.024 122.013 119.950 0.066 0.000 2.095 525 F HA -0.093 4.431 4.527 -0.004 0.000 0.298 525 F C 2.232 178.122 175.800 0.150 0.000 1.104 525 F CA 1.859 59.864 58.000 0.008 0.000 1.232 525 F CB -0.880 37.927 39.000 -0.322 0.000 0.987 525 F HN 0.149 nan 8.300 nan 0.000 0.475 526 G N 0.006 108.932 108.800 0.211 0.000 2.491 526 G HA2 -0.312 3.646 3.960 -0.004 0.000 0.218 526 G HA3 -0.312 3.646 3.960 -0.004 0.000 0.218 526 G C 1.357 176.289 174.900 0.055 0.000 1.180 526 G CA 1.228 46.398 45.100 0.115 0.000 0.774 526 G HN 0.383 nan 8.290 nan 0.000 0.562 527 D N 0.474 120.926 120.400 0.088 0.000 2.117 527 D HA -0.039 4.599 4.640 -0.004 0.000 0.198 527 D C 2.532 178.870 176.300 0.065 0.000 0.982 527 D CA 0.585 54.629 54.000 0.073 0.000 0.828 527 D CB -0.225 40.622 40.800 0.080 0.000 0.967 527 D HN 0.326 nan 8.370 nan 0.000 0.464 528 L N 0.043 121.330 121.223 0.108 0.000 2.509 528 L HA 0.051 4.389 4.340 -0.004 0.000 0.222 528 L C 1.470 178.377 176.870 0.061 0.000 1.123 528 L CA 0.291 55.182 54.840 0.085 0.000 0.856 528 L CB -0.100 42.029 42.059 0.118 0.000 0.985 528 L HN -0.100 nan 8.230 nan 0.000 0.456 529 N N -0.643 118.065 118.700 0.013 0.000 2.280 529 N HA 0.002 4.740 4.740 -0.004 0.000 0.192 529 N C 0.250 175.789 175.510 0.049 0.000 1.109 529 N CA -0.090 52.938 53.050 -0.038 0.000 0.855 529 N CB 0.665 38.840 38.487 -0.521 0.000 0.974 529 N HN -0.021 nan 8.380 nan 0.000 0.482 530 V N 0.699 120.646 119.914 0.056 0.000 2.655 530 V HA -0.030 4.087 4.120 -0.004 0.000 0.300 530 V C 0.766 176.956 176.094 0.159 0.000 1.044 530 V CA 0.123 62.485 62.300 0.104 0.000 1.095 530 V CB 0.731 32.592 31.823 0.063 0.000 0.952 530 V HN 0.437 nan 8.190 nan 0.000 0.485 531 W N 7.472 128.776 121.300 0.008 0.000 2.630 531 W HA 0.207 4.865 4.660 -0.004 0.000 0.275 531 W C 0.628 177.146 176.519 -0.001 0.000 1.192 531 W CA 0.490 57.835 57.345 -0.000 0.000 1.410 531 W CB 0.327 29.793 29.460 0.009 0.000 1.075 531 W HN 0.712 nan 8.180 nan 0.000 0.581 532 R N 1.611 122.199 120.500 0.147 0.000 2.631 532 R HA 0.385 4.722 4.340 -0.004 0.000 0.289 532 R C -2.599 173.734 176.300 0.056 0.000 1.303 532 R CA -1.153 54.967 56.100 0.033 0.000 0.989 532 R CB 0.417 30.765 30.300 0.079 0.000 1.208 532 R HN -0.197 nan 8.270 nan 0.000 0.461 533 P HA 0.000 nan 4.420 nan 0.000 0.216 533 P CA 0.000 63.116 63.100 0.026 0.000 0.800 533 P CB 0.000 31.708 31.700 0.013 0.000 0.726