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 1ve6_1_B DATA FIRST_RESID 8 DATA SEQUENCE EFSRIVRDVE RLIAVEKYSL QGVVDGDKLL VVGFSEGSVN AYLYDGGETV DATA SEQUENCE KLNREPINSV LDPHYGVGRV ILVRDVSKGA EQHALFKVNT SRPGEEQRLE DATA SEQUENCE AVKPMRILSG VDTGEAVVFT GATEDRVALY ALDGGGLREL ARLPGFGFVS DATA SEQUENCE DIRGDLIAGL GFFGGGRVSL FTSNLSSGGL RVFDSGEGSF SSASISPGMK DATA SEQUENCE VTAGLETARE ARLVTVDPRD GSVEDLELPS KDFSSYRPTA ITWLGYLPDG DATA SEQUENCE RLAVVARREG RSAVFIDGER VEAPQGNHGR VVLWRGKLVT SHTSLSTPPR DATA SEQUENCE IVSLPSGEPL LEGGLPEDLR RSIAGSRLVW VESFDGSRVP TYVLESGRAP DATA SEQUENCE TPGPTVVLVH GGPFAEDSDS WDTFAASLAA AGFHVVMPNY RGSTGYGEEW DATA SEQUENCE RLKIIGDPcG GELEDVSAAA RWARESGLAS ELYIMGYSYG GYMTLcALTM DATA SEQUENCE KPGLFKAGVA GASVVDWEEM YELSDAAFRN FIEQLTGGSR EIMRSRSPIN DATA SEQUENCE HVDRIKEPLA LIHPQNDSRT PLKPLLRLMG ELLARGKTFE AHIIPDAGHA DATA SEQUENCE INTMEDAVKI LLPAVFFLAT QRER 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 8 E HA 0.000 nan 4.350 nan 0.000 0.291 8 E C 0.000 176.506 176.600 -0.157 0.000 1.382 8 E CA 0.000 56.288 56.400 -0.186 0.000 0.976 8 E CB 0.000 29.465 29.700 -0.391 0.000 0.812 9 F N 2.755 122.630 119.950 -0.124 0.000 2.087 9 F HA -0.275 4.256 4.527 0.007 0.000 0.299 9 F C 2.788 178.637 175.800 0.082 0.000 1.100 9 F CA 2.212 60.096 58.000 -0.193 0.000 1.226 9 F CB -0.460 38.284 39.000 -0.427 0.000 0.983 9 F HN 0.227 nan 8.300 nan 0.000 0.479 10 S N 0.261 116.099 115.700 0.230 0.000 2.382 10 S HA -0.168 4.306 4.470 0.007 0.000 0.228 10 S C 2.044 176.728 174.600 0.141 0.000 1.027 10 S CA 0.784 59.090 58.200 0.176 0.000 0.991 10 S CB -0.450 62.816 63.200 0.111 0.000 0.823 10 S HN 0.291 nan 8.310 nan 0.000 0.469 11 R N 0.914 121.476 120.500 0.104 0.000 2.092 11 R HA 0.131 4.475 4.340 0.007 0.000 0.231 11 R C 2.198 178.561 176.300 0.105 0.000 1.119 11 R CA 0.894 57.040 56.100 0.076 0.000 0.970 11 R CB -0.839 29.482 30.300 0.036 0.000 0.864 11 R HN 0.427 nan 8.270 nan 0.000 0.440 12 I N 0.619 121.291 120.570 0.169 0.000 2.252 12 I HA -0.165 4.009 4.170 0.007 0.000 0.245 12 I C 2.489 178.707 176.117 0.168 0.000 1.102 12 I CA 0.918 62.341 61.300 0.205 0.000 1.385 12 I CB -1.091 37.140 38.000 0.386 0.000 1.064 12 I HN -0.141 nan 8.210 nan 0.000 0.414 13 V N 2.376 122.428 119.914 0.230 0.000 2.343 13 V HA -0.272 3.852 4.120 0.007 0.000 0.247 13 V C 2.759 178.888 176.094 0.059 0.000 1.051 13 V CA 2.137 64.509 62.300 0.121 0.000 1.036 13 V CB -0.864 31.065 31.823 0.178 0.000 0.654 13 V HN 0.494 nan 8.190 nan 0.000 0.451 14 R N 0.342 120.883 120.500 0.069 0.000 2.092 14 R HA -0.142 4.202 4.340 0.007 0.000 0.231 14 R C 1.751 178.066 176.300 0.026 0.000 1.119 14 R CA 1.904 58.027 56.100 0.038 0.000 0.970 14 R CB -0.701 29.622 30.300 0.039 0.000 0.864 14 R HN 0.378 nan 8.270 nan 0.000 0.440 15 D N 0.944 121.367 120.400 0.037 0.000 2.123 15 D HA -0.063 4.581 4.640 0.007 0.000 0.200 15 D C 2.161 178.470 176.300 0.014 0.000 0.976 15 D CA 1.079 55.098 54.000 0.032 0.000 0.831 15 D CB -0.155 40.672 40.800 0.046 0.000 0.974 15 D HN 0.060 nan 8.370 nan 0.000 0.469 16 V N 1.403 121.315 119.914 -0.003 0.000 2.343 16 V HA -0.228 3.896 4.120 0.007 0.000 0.247 16 V C 2.302 178.363 176.094 -0.055 0.000 1.051 16 V CA 1.644 63.916 62.300 -0.047 0.000 1.036 16 V CB -0.424 31.343 31.823 -0.094 0.000 0.654 16 V HN 0.211 nan 8.190 nan 0.000 0.451 17 E N -0.158 120.015 120.200 -0.046 0.000 2.058 17 E HA -0.238 4.116 4.350 0.007 0.000 0.194 17 E C 2.485 179.051 176.600 -0.057 0.000 0.997 17 E CA 1.363 57.730 56.400 -0.055 0.000 0.801 17 E CB -0.189 29.487 29.700 -0.040 0.000 0.746 17 E HN 0.542 nan 8.360 nan 0.000 0.450 18 R N 0.334 120.813 120.500 -0.034 0.000 2.090 18 R HA -0.036 4.308 4.340 0.007 0.000 0.228 18 R C 2.515 178.800 176.300 -0.024 0.000 1.110 18 R CA 0.622 56.701 56.100 -0.035 0.000 0.973 18 R CB -0.213 30.078 30.300 -0.016 0.000 0.869 18 R HN 0.160 nan 8.270 nan 0.000 0.440 19 L N 0.438 121.670 121.223 0.015 0.000 2.046 19 L HA -0.192 4.152 4.340 0.007 0.000 0.208 19 L C 2.308 179.214 176.870 0.060 0.000 1.077 19 L CA 1.341 56.234 54.840 0.089 0.000 0.747 19 L CB -0.267 41.862 42.059 0.118 0.000 0.896 19 L HN 0.190 nan 8.230 nan 0.000 0.432 20 I N -0.537 120.023 120.570 -0.016 0.000 2.315 20 I HA -0.238 3.936 4.170 0.007 0.000 0.248 20 I C 2.664 178.671 176.117 -0.183 0.000 1.117 20 I CA 1.007 62.275 61.300 -0.054 0.000 1.404 20 I CB -0.308 37.642 38.000 -0.083 0.000 1.071 20 I HN 0.184 nan 8.210 nan 0.000 0.419 21 A N 0.376 123.088 122.820 -0.181 0.000 2.015 21 A HA -0.020 4.305 4.320 0.007 0.000 0.219 21 A C 1.289 178.732 177.584 -0.236 0.000 1.163 21 A CA 0.403 52.298 52.037 -0.237 0.000 0.646 21 A CB -0.728 18.177 19.000 -0.158 0.000 0.806 21 A HN 0.156 nan 8.150 nan 0.000 0.448 22 V N 2.059 121.864 119.914 -0.183 0.000 2.644 22 V HA -0.064 4.061 4.120 0.007 0.000 0.305 22 V C 0.416 176.355 176.094 -0.258 0.000 1.053 22 V CA 0.047 62.225 62.300 -0.202 0.000 1.186 22 V CB -0.088 31.597 31.823 -0.231 0.000 0.895 22 V HN 0.547 nan 8.190 nan 0.000 0.490 23 E N 4.566 124.618 120.200 -0.247 0.000 2.384 23 E HA 0.254 4.608 4.350 0.007 0.000 0.266 23 E C -0.518 175.828 176.600 -0.423 0.000 1.012 23 E CA -0.070 56.123 56.400 -0.346 0.000 0.901 23 E CB 0.655 30.212 29.700 -0.237 0.000 0.967 23 E HN 0.553 nan 8.360 nan 0.000 0.435 24 K N 2.755 122.819 120.400 -0.561 0.000 2.443 24 K HA 0.381 4.706 4.320 0.007 0.000 0.252 24 K C -1.385 174.874 176.600 -0.568 0.000 0.933 24 K CA -0.603 55.440 56.287 -0.406 0.000 0.792 24 K CB 1.325 33.734 32.500 -0.153 0.000 1.185 24 K HN 0.360 nan 8.250 nan 0.000 0.425 25 Y N 0.072 120.322 120.300 -0.084 0.000 2.485 25 Y HA 0.434 4.989 4.550 0.007 0.000 0.345 25 Y C 0.220 176.074 175.900 -0.077 0.000 0.998 25 Y CA -0.899 57.153 58.100 -0.080 0.000 1.059 25 Y CB 2.353 40.726 38.460 -0.144 0.000 1.234 25 Y HN 0.575 nan 8.280 nan 0.000 0.461 26 S N 1.880 117.635 115.700 0.092 0.000 2.526 26 S HA 0.658 5.133 4.470 0.007 0.000 0.293 26 S C -1.603 172.991 174.600 -0.011 0.000 1.092 26 S CA -0.819 57.390 58.200 0.015 0.000 0.980 26 S CB 1.806 65.005 63.200 -0.003 0.000 1.048 26 S HN 0.562 nan 8.310 nan 0.000 0.483 27 L N 2.604 123.785 121.223 -0.070 0.000 2.276 27 L HA 0.506 4.850 4.340 0.007 0.000 0.286 27 L C 0.705 177.506 176.870 -0.115 0.000 1.061 27 L CA 0.259 55.031 54.840 -0.114 0.000 0.807 27 L CB 0.875 42.836 42.059 -0.163 0.000 1.177 27 L HN 0.824 nan 8.230 nan 0.000 0.429 28 Q N 3.786 123.531 119.800 -0.092 0.000 2.378 28 Q HA 0.488 4.832 4.340 0.007 0.000 0.229 28 Q C 0.611 176.560 176.000 -0.086 0.000 0.882 28 Q CA 0.646 56.408 55.803 -0.068 0.000 0.936 28 Q CB 1.258 29.980 28.738 -0.026 0.000 1.092 28 Q HN 0.903 nan 8.270 nan 0.000 0.535 29 G N -0.454 108.267 108.800 -0.132 0.000 2.351 29 G HA2 0.254 4.218 3.960 0.007 0.000 0.279 29 G HA3 0.254 4.218 3.960 0.007 0.000 0.279 29 G C -1.805 172.956 174.900 -0.233 0.000 1.297 29 G CA -0.523 44.457 45.100 -0.201 0.000 0.886 29 G HN -0.096 nan 8.290 nan 0.000 0.493 30 V N 0.597 120.309 119.914 -0.337 0.000 2.588 30 V HA 0.822 4.946 4.120 0.007 0.000 0.304 30 V C 0.436 176.475 176.094 -0.091 0.000 1.042 30 V CA 0.111 62.290 62.300 -0.201 0.000 0.877 30 V CB 1.070 32.767 31.823 -0.210 0.000 0.996 30 V HN 1.773 nan 8.190 nan 0.000 0.425 31 V N 0.685 120.606 119.914 0.013 0.000 3.080 31 V HA 0.747 4.872 4.120 0.007 0.000 0.311 31 V C 0.172 176.316 176.094 0.082 0.000 1.389 31 V CA -0.567 61.765 62.300 0.052 0.000 1.049 31 V CB 1.480 33.326 31.823 0.038 0.000 1.078 31 V HN 0.723 nan 8.190 nan 0.000 0.468 32 D N -0.235 120.210 120.400 0.075 0.000 2.737 32 D HA 0.007 4.652 4.640 0.007 0.000 0.233 32 D C 1.135 177.487 176.300 0.086 0.000 1.155 32 D CA 2.608 56.651 54.000 0.073 0.000 0.667 32 D CB -1.196 39.644 40.800 0.066 0.000 1.060 32 D HN 2.221 nan 8.370 nan 0.000 0.427 33 G N 0.184 109.044 108.800 0.099 0.000 4.365 33 G HA2 -0.354 3.610 3.960 0.007 0.000 0.214 33 G HA3 -0.354 3.610 3.960 0.007 0.000 0.214 33 G C 0.424 175.406 174.900 0.137 0.000 1.450 33 G CA 0.470 45.633 45.100 0.104 0.000 0.937 33 G HN 0.655 nan 8.290 nan 0.000 0.625 34 D N 0.955 121.445 120.400 0.150 0.000 3.078 34 D HA 0.379 5.023 4.640 0.007 0.000 0.363 34 D C -0.115 176.409 176.300 0.373 0.000 1.391 34 D CA -0.167 53.965 54.000 0.220 0.000 0.754 34 D CB -0.065 40.798 40.800 0.105 0.000 1.238 34 D HN 0.512 nan 8.370 nan 0.000 0.500 35 K N 0.285 120.863 120.400 0.296 0.000 2.318 35 K HA 0.514 4.838 4.320 0.007 0.000 0.249 35 K C -0.395 176.252 176.600 0.078 0.000 0.942 35 K CA -0.983 55.459 56.287 0.259 0.000 0.808 35 K CB 2.532 35.114 32.500 0.137 0.000 1.189 35 K HN 0.028 nan 8.250 nan 0.000 0.428 36 L N 2.732 123.878 121.223 -0.129 0.000 2.349 36 L HA 0.227 4.571 4.340 0.007 0.000 0.275 36 L C -0.346 176.472 176.870 -0.086 0.000 1.115 36 L CA -0.806 53.890 54.840 -0.240 0.000 0.820 36 L CB 0.418 42.202 42.059 -0.458 0.000 1.135 36 L HN 0.335 nan 8.230 nan 0.000 0.445 37 L N 5.210 126.384 121.223 -0.082 0.000 2.257 37 L HA 0.531 4.875 4.340 0.007 0.000 0.290 37 L C -0.563 176.290 176.870 -0.029 0.000 1.044 37 L CA 0.027 54.852 54.840 -0.025 0.000 0.810 37 L CB 1.353 43.397 42.059 -0.025 0.000 1.193 37 L HN 0.242 nan 8.230 nan 0.000 0.425 38 V N 5.552 125.488 119.914 0.036 0.000 2.735 38 V HA 0.543 4.667 4.120 0.007 0.000 0.310 38 V C -0.593 175.607 176.094 0.177 0.000 1.061 38 V CA -0.760 61.580 62.300 0.066 0.000 0.913 38 V CB 2.316 34.154 31.823 0.024 0.000 1.005 38 V HN 0.462 nan 8.190 nan 0.000 0.428 39 V N 3.054 123.058 119.914 0.150 0.000 2.398 39 V HA 0.850 4.974 4.120 0.007 0.000 0.286 39 V C 0.539 176.751 176.094 0.197 0.000 1.026 39 V CA -0.066 62.329 62.300 0.159 0.000 0.868 39 V CB 1.577 33.437 31.823 0.061 0.000 0.982 39 V HN 1.016 nan 8.190 nan 0.000 0.443 40 G N 2.972 111.939 108.800 0.279 0.000 2.591 40 G HA2 0.590 4.554 3.960 0.007 0.000 0.306 40 G HA3 0.590 4.554 3.960 0.007 0.000 0.306 40 G C -1.326 173.641 174.900 0.112 0.000 1.334 40 G CA -0.563 44.570 45.100 0.056 0.000 0.981 40 G HN 0.589 nan 8.290 nan 0.000 0.491 41 F N 3.505 123.306 119.950 -0.248 0.000 2.334 41 F HA 0.515 5.046 4.527 0.007 0.000 0.365 41 F C 0.446 176.115 175.800 -0.217 0.000 1.124 41 F CA -0.548 57.353 58.000 -0.165 0.000 1.166 41 F CB 0.440 39.343 39.000 -0.161 0.000 1.355 41 F HN 0.538 nan 8.300 nan 0.000 0.532 42 S N 3.244 118.896 115.700 -0.079 0.000 2.565 42 S HA 0.339 4.813 4.470 0.007 0.000 0.269 42 S C -0.720 173.840 174.600 -0.066 0.000 1.153 42 S CA -0.921 57.179 58.200 -0.168 0.000 0.835 42 S CB 1.922 65.031 63.200 -0.151 0.000 1.122 42 S HN 0.555 nan 8.310 nan 0.000 0.462 43 E N 0.110 120.251 120.200 -0.099 0.000 2.513 43 E HA -0.218 4.136 4.350 0.007 0.000 0.257 43 E C 1.005 177.561 176.600 -0.073 0.000 1.098 43 E CA 1.385 57.754 56.400 -0.051 0.000 0.752 43 E CB -2.069 27.651 29.700 0.032 0.000 1.324 43 E HN 2.100 nan 8.360 nan 0.000 0.403 44 G N -0.872 107.828 108.800 -0.167 0.000 2.179 44 G HA2 -0.356 3.609 3.960 0.007 0.000 0.260 44 G HA3 -0.356 3.609 3.960 0.007 0.000 0.260 44 G C 0.288 175.147 174.900 -0.067 0.000 0.977 44 G CA 1.144 46.151 45.100 -0.155 0.000 0.641 44 G HN 1.413 nan 8.290 nan 0.000 0.533 45 S N -2.383 113.327 115.700 0.017 0.000 2.661 45 S HA 0.672 5.146 4.470 0.007 0.000 0.268 45 S C -0.740 174.073 174.600 0.355 0.000 1.162 45 S CA -0.288 58.058 58.200 0.243 0.000 0.817 45 S CB 2.064 65.334 63.200 0.116 0.000 1.141 45 S HN 1.173 nan 8.310 nan 0.000 0.477 46 V N 2.780 122.851 119.914 0.261 0.000 2.432 46 V HA 0.470 4.594 4.120 0.007 0.000 0.271 46 V C -0.332 175.794 176.094 0.054 0.000 1.046 46 V CA -0.231 62.157 62.300 0.148 0.000 0.945 46 V CB -0.050 31.767 31.823 -0.010 0.000 0.992 46 V HN 0.761 nan 8.190 nan 0.000 0.471 47 N N 2.606 121.337 118.700 0.052 0.000 2.509 47 N HA 0.765 5.509 4.740 0.007 0.000 0.280 47 N C -0.697 174.692 175.510 -0.201 0.000 1.306 47 N CA -0.518 52.440 53.050 -0.153 0.000 0.782 47 N CB 2.456 40.732 38.487 -0.351 0.000 1.493 47 N HN 0.655 nan 8.380 nan 0.000 0.498 48 A N 0.769 123.374 122.820 -0.358 0.000 2.304 48 A HA 0.742 5.067 4.320 0.007 0.000 0.323 48 A C -1.545 175.825 177.584 -0.356 0.000 1.195 48 A CA -0.341 51.577 52.037 -0.198 0.000 0.826 48 A CB 0.311 19.247 19.000 -0.107 0.000 1.184 48 A HN 0.587 nan 8.150 nan 0.000 0.496 49 Y N 0.510 120.833 120.300 0.039 0.000 2.576 49 Y HA 0.600 5.154 4.550 0.007 0.000 0.346 49 Y C -0.192 175.729 175.900 0.034 0.000 1.018 49 Y CA -0.848 57.279 58.100 0.045 0.000 1.050 49 Y CB 1.865 40.368 38.460 0.073 0.000 1.280 49 Y HN 0.531 nan 8.280 nan 0.000 0.474 50 L N 2.211 123.565 121.223 0.219 0.000 2.309 50 L HA 0.426 4.770 4.340 0.007 0.000 0.282 50 L C -1.387 175.582 176.870 0.166 0.000 1.036 50 L CA -0.898 54.024 54.840 0.136 0.000 0.806 50 L CB 1.390 43.504 42.059 0.092 0.000 1.220 50 L HN 0.624 nan 8.230 nan 0.000 0.429 51 Y N 3.123 123.397 120.300 -0.043 0.000 2.361 51 Y HA 0.268 4.823 4.550 0.008 0.000 0.337 51 Y C -0.075 175.806 175.900 -0.032 0.000 0.965 51 Y CA -1.028 57.017 58.100 -0.093 0.000 1.091 51 Y CB 1.421 39.739 38.460 -0.237 0.000 1.182 51 Y HN 0.663 nan 8.280 nan 0.000 0.450 52 D N 2.777 122.859 120.400 -0.530 0.000 2.535 52 D HA 0.266 4.910 4.640 0.007 0.000 0.229 52 D C 1.115 177.257 176.300 -0.263 0.000 1.238 52 D CA 0.433 54.313 54.000 -0.200 0.000 0.824 52 D CB 0.473 41.244 40.800 -0.048 0.000 1.045 52 D HN 0.967 nan 8.370 nan 0.000 0.500 53 G N -0.523 107.696 108.800 -0.968 0.000 2.231 53 G HA2 -0.176 3.788 3.960 0.007 0.000 0.206 53 G HA3 -0.176 3.788 3.960 0.007 0.000 0.206 53 G C 0.790 175.542 174.900 -0.246 0.000 0.996 53 G CA 0.155 45.035 45.100 -0.367 0.000 0.645 53 G HN 0.751 nan 8.290 nan 0.000 0.498 54 G N -0.202 108.412 108.800 -0.310 0.000 2.509 54 G HA2 0.504 4.469 3.960 0.007 0.000 0.168 54 G HA3 0.504 4.469 3.960 0.007 0.000 0.168 54 G C 0.109 174.999 174.900 -0.017 0.000 1.415 54 G CA 0.628 45.681 45.100 -0.078 0.000 0.686 54 G HN 0.516 nan 8.290 nan 0.000 0.677 55 E N 0.244 120.418 120.200 -0.043 0.000 2.227 55 E HA 0.522 4.876 4.350 0.007 0.000 0.268 55 E C -1.065 175.562 176.600 0.046 0.000 0.990 55 E CA -0.486 55.924 56.400 0.015 0.000 0.856 55 E CB 2.132 31.840 29.700 0.012 0.000 1.159 55 E HN 0.107 nan 8.360 nan 0.000 0.401 56 T N 0.667 115.272 114.554 0.084 0.000 2.829 56 T HA 0.373 4.728 4.350 0.007 0.000 0.282 56 T C -0.940 173.863 174.700 0.172 0.000 0.990 56 T CA -0.634 61.543 62.100 0.128 0.000 1.028 56 T CB 0.742 69.608 68.868 -0.004 0.000 0.951 56 T HN 0.165 nan 8.240 nan 0.000 0.460 57 V N 6.398 126.439 119.914 0.211 0.000 2.384 57 V HA 0.434 4.558 4.120 0.007 0.000 0.287 57 V C 0.379 176.595 176.094 0.204 0.000 1.020 57 V CA -1.004 61.402 62.300 0.176 0.000 0.850 57 V CB 1.478 33.359 31.823 0.096 0.000 0.987 57 V HN 0.848 nan 8.190 nan 0.000 0.436 58 K N 3.574 124.066 120.400 0.153 0.000 2.379 58 K HA 0.300 4.624 4.320 0.007 0.000 0.284 58 K C 0.459 176.998 176.600 -0.102 0.000 1.044 58 K CA -0.158 56.075 56.287 -0.090 0.000 0.974 58 K CB 0.744 33.192 32.500 -0.087 0.000 0.962 58 K HN 0.615 nan 8.250 nan 0.000 0.474 59 L N 3.091 124.213 121.223 -0.168 0.000 2.221 59 L HA -0.036 4.308 4.340 0.007 0.000 0.202 59 L C 1.208 178.016 176.870 -0.105 0.000 1.074 59 L CA 0.140 54.922 54.840 -0.096 0.000 0.795 59 L CB -0.279 41.737 42.059 -0.073 0.000 0.960 59 L HN 0.713 nan 8.230 nan 0.000 0.458 60 N N -0.144 118.460 118.700 -0.159 0.000 2.448 60 N HA 0.184 4.928 4.740 0.007 0.000 0.274 60 N C 0.331 175.757 175.510 -0.139 0.000 1.239 60 N CA -0.462 52.499 53.050 -0.149 0.000 0.982 60 N CB 1.513 39.896 38.487 -0.174 0.000 1.199 60 N HN -0.006 nan 8.380 nan 0.000 0.576 61 R N -0.017 120.397 120.500 -0.143 0.000 1.835 61 R HA 0.175 4.519 4.340 0.007 0.000 0.162 61 R C 0.259 176.486 176.300 -0.120 0.000 1.911 61 R CA -0.107 55.923 56.100 -0.116 0.000 1.491 61 R CB -0.319 29.915 30.300 -0.109 0.000 1.166 61 R HN 0.663 nan 8.270 nan 0.000 0.478 62 E N 1.512 121.626 120.200 -0.143 0.000 2.416 62 E HA 0.102 4.457 4.350 0.007 0.000 0.254 62 E C -2.360 174.166 176.600 -0.122 0.000 1.241 62 E CA -1.597 54.731 56.400 -0.120 0.000 0.969 62 E CB -0.028 29.593 29.700 -0.131 0.000 0.999 62 E HN 0.054 nan 8.360 nan 0.000 0.481 63 P HA 0.005 nan 4.420 nan 0.000 0.269 63 P C -0.680 176.573 177.300 -0.079 0.000 1.215 63 P CA 0.438 63.504 63.100 -0.057 0.000 0.780 63 P CB 0.374 32.067 31.700 -0.012 0.000 0.898 64 I N -1.397 119.134 120.570 -0.065 0.000 3.264 64 I HA 0.484 4.658 4.170 0.007 0.000 0.309 64 I C 0.402 176.501 176.117 -0.030 0.000 1.099 64 I CA -0.874 60.390 61.300 -0.060 0.000 0.989 64 I CB 1.991 39.944 38.000 -0.077 0.000 1.250 64 I HN 0.087 nan 8.210 nan 0.000 0.478 65 N N 0.208 118.895 118.700 -0.021 0.000 2.510 65 N HA 0.133 4.877 4.740 0.007 0.000 0.186 65 N C 0.097 175.583 175.510 -0.040 0.000 1.051 65 N CA 0.898 53.936 53.050 -0.021 0.000 0.877 65 N CB 0.774 39.265 38.487 0.007 0.000 1.183 65 N HN 0.848 nan 8.380 nan 0.000 0.443 66 S N -0.685 114.988 115.700 -0.046 0.000 2.671 66 S HA 0.517 4.991 4.470 0.007 0.000 0.270 66 S C -1.069 173.517 174.600 -0.023 0.000 1.166 66 S CA -0.833 57.349 58.200 -0.031 0.000 0.868 66 S CB 1.418 64.602 63.200 -0.026 0.000 1.190 66 S HN -0.026 nan 8.310 nan 0.000 0.494 67 V N -1.195 118.716 119.914 -0.005 0.000 3.078 67 V HA 0.755 4.879 4.120 0.007 0.000 0.311 67 V C -0.681 175.427 176.094 0.024 0.000 1.138 67 V CA -1.230 61.073 62.300 0.005 0.000 1.007 67 V CB 1.188 33.015 31.823 0.007 0.000 1.045 67 V HN 1.009 nan 8.190 nan 0.000 0.432 68 L N 1.161 122.404 121.223 0.032 0.000 2.439 68 L HA 0.462 4.807 4.340 0.007 0.000 0.261 68 L C -0.071 176.839 176.870 0.067 0.000 1.153 68 L CA -0.536 54.341 54.840 0.061 0.000 0.808 68 L CB 0.523 42.619 42.059 0.063 0.000 1.126 68 L HN 0.659 nan 8.230 nan 0.000 0.460 69 D N 2.875 123.333 120.400 0.095 0.000 2.401 69 D HA 0.146 4.791 4.640 0.007 0.000 0.254 69 D C -2.193 174.165 176.300 0.095 0.000 1.192 69 D CA -0.749 53.312 54.000 0.103 0.000 0.885 69 D CB 0.594 41.486 40.800 0.154 0.000 1.147 69 D HN 0.232 nan 8.370 nan 0.000 0.478 70 P HA 0.212 nan 4.420 nan 0.000 0.296 70 P C -0.473 176.937 177.300 0.182 0.000 1.301 70 P CA -0.476 62.678 63.100 0.090 0.000 0.862 70 P CB 1.279 33.008 31.700 0.049 0.000 1.046 71 H N 1.182 120.313 119.070 0.102 0.000 2.771 71 H HA 0.058 4.618 4.556 0.006 0.000 0.364 71 H C 0.154 175.582 175.328 0.166 0.000 1.133 71 H CA -0.281 55.863 56.048 0.161 0.000 1.423 71 H CB 0.258 30.111 29.762 0.152 0.000 1.425 71 H HN 0.378 nan 8.280 nan 0.000 0.606 72 Y N 0.585 120.984 120.300 0.164 0.000 2.904 72 Y HA -0.149 4.404 4.550 0.006 0.000 0.336 72 Y C 1.682 177.652 175.900 0.117 0.000 1.263 72 Y CA 1.700 59.872 58.100 0.121 0.000 1.547 72 Y CB 0.110 38.620 38.460 0.083 0.000 1.272 72 Y HN 1.030 nan 8.280 nan 0.000 0.596 73 G N 1.597 110.525 108.800 0.213 0.000 2.270 73 G HA2 -0.345 3.619 3.960 0.007 0.000 0.268 73 G HA3 -0.345 3.619 3.960 0.007 0.000 0.268 73 G C 0.343 175.320 174.900 0.128 0.000 0.982 73 G CA 0.210 45.411 45.100 0.168 0.000 0.628 73 G HN 0.835 nan 8.290 nan 0.000 0.544 74 V N 1.302 121.297 119.914 0.134 0.000 2.843 74 V HA 0.389 4.513 4.120 0.007 0.000 0.305 74 V C 1.555 177.698 176.094 0.081 0.000 1.120 74 V CA 1.638 64.004 62.300 0.110 0.000 1.254 74 V CB 1.086 32.977 31.823 0.113 0.000 0.901 74 V HN 1.150 nan 8.190 nan 0.000 0.503 75 G N 7.006 115.848 108.800 0.070 0.000 3.562 75 G HA2 0.406 4.370 3.960 0.007 0.000 0.279 75 G HA3 0.406 4.370 3.960 0.007 0.000 0.279 75 G C 0.239 175.168 174.900 0.048 0.000 1.314 75 G CA 0.013 45.147 45.100 0.057 0.000 1.189 75 G HN 1.048 nan 8.290 nan 0.000 0.562 76 R N -2.360 118.169 120.500 0.048 0.000 2.716 76 R HA 0.688 5.032 4.340 0.007 0.000 0.271 76 R C -2.235 174.088 176.300 0.039 0.000 1.028 76 R CA -0.760 55.365 56.100 0.041 0.000 0.883 76 R CB 1.318 31.642 30.300 0.040 0.000 1.250 76 R HN -0.094 nan 8.270 nan 0.000 0.465 77 V N 1.792 121.725 119.914 0.033 0.000 2.841 77 V HA 0.482 4.607 4.120 0.007 0.000 0.310 77 V C -0.775 175.338 176.094 0.031 0.000 1.090 77 V CA -0.983 61.334 62.300 0.029 0.000 0.930 77 V CB 2.194 34.029 31.823 0.020 0.000 1.014 77 V HN 0.582 nan 8.190 nan 0.000 0.425 78 I N 4.941 125.528 120.570 0.028 0.000 2.330 78 I HA 0.444 4.618 4.170 0.007 0.000 0.289 78 I C -0.096 176.039 176.117 0.029 0.000 1.001 78 I CA -0.355 60.961 61.300 0.026 0.000 1.193 78 I CB 1.141 39.145 38.000 0.007 0.000 1.345 78 I HN 0.403 nan 8.210 nan 0.000 0.461 79 L N 6.236 127.497 121.223 0.063 0.000 2.357 79 L HA 0.585 4.929 4.340 0.007 0.000 0.273 79 L C -0.131 176.800 176.870 0.101 0.000 1.080 79 L CA -0.882 53.995 54.840 0.062 0.000 0.803 79 L CB 1.551 43.641 42.059 0.052 0.000 1.174 79 L HN 0.190 nan 8.230 nan 0.000 0.443 80 V N 3.006 122.944 119.914 0.040 0.000 2.409 80 V HA 0.535 4.659 4.120 0.007 0.000 0.291 80 V C -0.219 175.903 176.094 0.046 0.000 1.020 80 V CA -0.574 61.733 62.300 0.011 0.000 0.848 80 V CB 1.634 33.376 31.823 -0.135 0.000 0.990 80 V HN 0.754 nan 8.190 nan 0.000 0.430 81 R N 2.803 123.415 120.500 0.187 0.000 2.621 81 R HA 0.374 4.718 4.340 0.007 0.000 0.284 81 R C -1.308 175.169 176.300 0.295 0.000 0.998 81 R CA -0.669 55.536 56.100 0.175 0.000 0.895 81 R CB 1.887 32.192 30.300 0.009 0.000 1.195 81 R HN 0.715 nan 8.270 nan 0.000 0.450 82 D N 3.606 124.170 120.400 0.272 0.000 2.383 82 D HA 0.047 4.691 4.640 0.007 0.000 0.252 82 D C 0.672 177.037 176.300 0.108 0.000 1.166 82 D CA 0.042 54.152 54.000 0.183 0.000 0.879 82 D CB 1.554 42.423 40.800 0.114 0.000 1.164 82 D HN 0.385 nan 8.370 nan 0.000 0.462 83 V N 1.512 121.479 119.914 0.087 0.000 3.214 83 V HA 0.214 4.338 4.120 0.007 0.000 0.330 83 V C 0.777 176.890 176.094 0.032 0.000 1.403 83 V CA 0.288 62.635 62.300 0.080 0.000 1.143 83 V CB -0.357 31.536 31.823 0.117 0.000 1.098 83 V HN 0.477 nan 8.190 nan 0.000 0.463 84 S N -0.820 114.884 115.700 0.007 0.000 2.741 84 S HA 0.351 4.825 4.470 0.007 0.000 0.247 84 S C 0.443 175.040 174.600 -0.005 0.000 1.050 84 S CA -0.399 57.796 58.200 -0.009 0.000 1.025 84 S CB -0.340 62.839 63.200 -0.034 0.000 0.897 84 S HN 0.568 nan 8.310 nan 0.000 0.508 85 K N 0.863 121.267 120.400 0.006 0.000 3.077 85 K HA -0.206 4.119 4.320 0.007 0.000 0.264 85 K C 0.997 177.602 176.600 0.008 0.000 1.008 85 K CA 0.541 56.833 56.287 0.009 0.000 0.740 85 K CB -1.982 30.523 32.500 0.007 0.000 1.273 85 K HN 1.117 nan 8.250 nan 0.000 0.477 86 G N -1.614 107.191 108.800 0.007 0.000 2.238 86 G HA2 -0.287 3.677 3.960 0.007 0.000 0.217 86 G HA3 -0.287 3.677 3.960 0.007 0.000 0.217 86 G C 0.751 175.648 174.900 -0.006 0.000 0.996 86 G CA 0.207 45.314 45.100 0.012 0.000 0.632 86 G HN 0.700 nan 8.290 nan 0.000 0.503 87 A N 0.655 123.457 122.820 -0.030 0.000 2.239 87 A HA 0.481 4.805 4.320 0.007 0.000 0.209 87 A C 1.196 178.718 177.584 -0.103 0.000 1.171 87 A CA 1.731 53.736 52.037 -0.054 0.000 0.768 87 A CB -0.538 18.432 19.000 -0.050 0.000 0.790 87 A HN 1.308 nan 8.150 nan 0.000 0.478 88 E N -0.529 119.583 120.200 -0.147 0.000 2.320 88 E HA -0.163 4.191 4.350 0.007 0.000 0.234 88 E C -0.899 175.368 176.600 -0.554 0.000 1.183 88 E CA 0.365 56.539 56.400 -0.376 0.000 0.713 88 E CB -1.247 28.340 29.700 -0.189 0.000 1.226 88 E HN 0.596 nan 8.360 nan 0.000 0.382 89 Q N 1.231 120.824 119.800 -0.344 0.000 2.465 89 Q HA 0.192 4.536 4.340 0.007 0.000 0.237 89 Q C -0.051 175.837 176.000 -0.187 0.000 1.051 89 Q CA 0.028 55.698 55.803 -0.222 0.000 0.874 89 Q CB 0.513 29.191 28.738 -0.099 0.000 1.207 89 Q HN 0.295 nan 8.270 nan 0.000 0.508 90 H N 0.309 119.394 119.070 0.026 0.000 2.505 90 H HA 0.625 5.185 4.556 0.007 0.000 0.351 90 H C -0.304 175.013 175.328 -0.018 0.000 1.151 90 H CA -0.372 55.693 56.048 0.029 0.000 1.339 90 H CB 1.243 31.022 29.762 0.028 0.000 1.483 90 H HN 0.535 nan 8.280 nan 0.000 0.558 91 A N 2.523 125.436 122.820 0.156 0.000 2.380 91 A HA 0.584 4.908 4.320 0.007 0.000 0.315 91 A C -0.538 176.983 177.584 -0.105 0.000 1.101 91 A CA -0.788 51.209 52.037 -0.067 0.000 0.771 91 A CB 1.131 20.046 19.000 -0.142 0.000 1.287 91 A HN 0.571 nan 8.150 nan 0.000 0.436 92 L N 0.874 121.891 121.223 -0.344 0.000 2.322 92 L HA 0.628 4.972 4.340 0.007 0.000 0.279 92 L C -1.359 175.248 176.870 -0.439 0.000 1.036 92 L CA -0.263 54.425 54.840 -0.253 0.000 0.807 92 L CB 1.152 43.021 42.059 -0.316 0.000 1.226 92 L HN 0.632 nan 8.230 nan 0.000 0.433 93 F N 1.478 121.384 119.950 -0.074 0.000 2.539 93 F HA 0.426 4.957 4.527 0.006 0.000 0.318 93 F C 0.107 175.882 175.800 -0.043 0.000 1.135 93 F CA -0.799 57.171 58.000 -0.050 0.000 0.915 93 F CB 1.834 40.810 39.000 -0.040 0.000 1.176 93 F HN 0.316 nan 8.300 nan 0.000 0.440 94 K N 2.550 123.013 120.400 0.106 0.000 2.143 94 K HA 0.775 5.099 4.320 0.007 0.000 0.272 94 K C -1.541 175.103 176.600 0.074 0.000 1.001 94 K CA -0.408 55.918 56.287 0.065 0.000 0.915 94 K CB 1.248 33.765 32.500 0.029 0.000 1.047 94 K HN 0.543 nan 8.250 nan 0.000 0.458 95 V N 4.385 124.330 119.914 0.052 0.000 2.569 95 V HA 0.142 4.267 4.120 0.007 0.000 0.301 95 V C -0.524 175.588 176.094 0.031 0.000 1.044 95 V CA -1.208 61.115 62.300 0.038 0.000 0.874 95 V CB 1.536 33.372 31.823 0.023 0.000 1.002 95 V HN 0.864 nan 8.190 nan 0.000 0.424 96 N N 2.767 121.484 118.700 0.029 0.000 2.475 96 N HA 0.077 4.821 4.740 0.007 0.000 0.267 96 N C 1.085 176.611 175.510 0.027 0.000 1.169 96 N CA 0.290 53.358 53.050 0.029 0.000 0.947 96 N CB 1.852 40.355 38.487 0.027 0.000 1.061 96 N HN 0.706 nan 8.380 nan 0.000 0.466 97 T N 1.669 116.242 114.554 0.031 0.000 3.007 97 T HA -0.051 4.303 4.350 0.007 0.000 0.270 97 T C 1.490 176.209 174.700 0.031 0.000 1.107 97 T CA 0.959 63.078 62.100 0.032 0.000 1.118 97 T CB 0.079 68.971 68.868 0.040 0.000 0.889 97 T HN 0.470 nan 8.240 nan 0.000 0.506 98 S N 0.632 116.349 115.700 0.029 0.000 2.527 98 S HA 0.155 4.629 4.470 0.007 0.000 0.222 98 S C 1.027 175.641 174.600 0.022 0.000 0.985 98 S CA 0.228 58.444 58.200 0.026 0.000 0.921 98 S CB 0.164 63.379 63.200 0.026 0.000 0.772 98 S HN 0.378 nan 8.310 nan 0.000 0.529 99 R N 1.514 122.027 120.500 0.021 0.000 2.748 99 R HA 0.259 4.603 4.340 0.007 0.000 0.283 99 R C -3.118 173.190 176.300 0.013 0.000 1.507 99 R CA -1.666 54.444 56.100 0.017 0.000 1.666 99 R CB 0.964 31.274 30.300 0.017 0.000 1.237 99 R HN 0.128 nan 8.270 nan 0.000 0.633 100 P HA -0.029 nan 4.420 nan 0.000 0.264 100 P C 0.870 178.167 177.300 -0.004 0.000 1.183 100 P CA 1.086 64.188 63.100 0.004 0.000 0.763 100 P CB 0.776 32.483 31.700 0.011 0.000 0.807 101 G N 1.544 110.333 108.800 -0.018 0.000 2.213 101 G HA2 -0.218 3.746 3.960 0.007 0.000 0.236 101 G HA3 -0.218 3.746 3.960 0.007 0.000 0.236 101 G C -0.100 174.790 174.900 -0.017 0.000 0.991 101 G CA -0.334 44.751 45.100 -0.025 0.000 0.629 101 G HN 0.569 nan 8.290 nan 0.000 0.517 102 E N 1.237 121.435 120.200 -0.002 0.000 2.109 102 E HA 0.477 4.831 4.350 0.007 0.000 0.278 102 E C -0.333 176.282 176.600 0.025 0.000 0.954 102 E CA -0.330 56.076 56.400 0.010 0.000 0.779 102 E CB 1.023 30.732 29.700 0.016 0.000 1.093 102 E HN 0.564 nan 8.360 nan 0.000 0.401 103 E N 2.342 122.566 120.200 0.040 0.000 2.202 103 E HA 0.254 4.608 4.350 0.007 0.000 0.272 103 E C -0.663 176.017 176.600 0.133 0.000 0.951 103 E CA -0.698 55.760 56.400 0.096 0.000 0.813 103 E CB 1.985 31.740 29.700 0.091 0.000 1.151 103 E HN 0.279 nan 8.360 nan 0.000 0.398 104 Q N 2.670 122.560 119.800 0.149 0.000 2.303 104 Q HA 0.220 4.565 4.340 0.007 0.000 0.267 104 Q C -1.093 174.932 176.000 0.041 0.000 1.011 104 Q CA -0.686 55.171 55.803 0.089 0.000 0.740 104 Q CB 1.372 30.135 28.738 0.041 0.000 1.250 104 Q HN 0.423 nan 8.270 nan 0.000 0.458 105 R N 4.175 124.658 120.500 -0.029 0.000 2.442 105 R HA 0.170 4.515 4.340 0.007 0.000 0.291 105 R C -0.620 175.515 176.300 -0.275 0.000 1.069 105 R CA -0.095 55.773 56.100 -0.387 0.000 1.022 105 R CB 0.440 30.482 30.300 -0.430 0.000 0.976 105 R HN 0.643 nan 8.270 nan 0.000 0.443 106 L N 5.887 126.908 121.223 -0.336 0.000 2.395 106 L HA 0.081 4.425 4.340 0.007 0.000 0.268 106 L C 1.031 177.784 176.870 -0.196 0.000 1.223 106 L CA -0.282 54.434 54.840 -0.207 0.000 1.093 106 L CB 0.640 42.583 42.059 -0.193 0.000 1.349 106 L HN 0.733 nan 8.230 nan 0.000 0.427 107 E N 1.897 122.009 120.200 -0.146 0.000 2.267 107 E HA -0.227 4.127 4.350 0.007 0.000 0.197 107 E C 2.064 178.614 176.600 -0.083 0.000 0.998 107 E CA 1.244 57.577 56.400 -0.112 0.000 0.830 107 E CB 0.157 29.813 29.700 -0.074 0.000 0.751 107 E HN 0.764 nan 8.360 nan 0.000 0.491 108 A N 1.093 123.874 122.820 -0.065 0.000 2.019 108 A HA -0.069 4.255 4.320 0.007 0.000 0.219 108 A C 1.425 178.986 177.584 -0.039 0.000 1.164 108 A CA 0.648 52.665 52.037 -0.033 0.000 0.644 108 A CB 0.068 19.064 19.000 -0.006 0.000 0.805 108 A HN 0.058 nan 8.150 nan 0.000 0.449 109 V N 2.192 122.059 119.914 -0.080 0.000 2.333 109 V HA 0.203 4.327 4.120 0.007 0.000 0.274 109 V C 0.255 176.274 176.094 -0.126 0.000 1.028 109 V CA -0.929 61.310 62.300 -0.101 0.000 0.851 109 V CB 0.758 32.481 31.823 -0.166 0.000 1.000 109 V HN 0.621 nan 8.190 nan 0.000 0.456 110 K N 5.121 125.464 120.400 -0.095 0.000 2.319 110 K HA 0.378 4.702 4.320 0.007 0.000 0.265 110 K C -2.634 173.917 176.600 -0.083 0.000 1.000 110 K CA -1.405 54.834 56.287 -0.079 0.000 0.943 110 K CB -0.029 32.440 32.500 -0.052 0.000 0.950 110 K HN 0.290 nan 8.250 nan 0.000 0.485 111 P HA -0.078 nan 4.420 nan 0.000 0.262 111 P C -0.736 176.543 177.300 -0.034 0.000 1.182 111 P CA 0.522 63.595 63.100 -0.046 0.000 0.761 111 P CB 0.391 32.071 31.700 -0.034 0.000 0.795 112 M N 0.363 119.955 119.600 -0.013 0.000 2.880 112 M HA 0.468 4.952 4.480 0.007 0.000 0.269 112 M C -0.934 175.402 176.300 0.060 0.000 1.248 112 M CA -1.220 54.089 55.300 0.015 0.000 0.821 112 M CB 2.272 34.890 32.600 0.030 0.000 1.650 112 M HN -0.090 nan 8.290 nan 0.000 0.479 113 R N 2.020 122.572 120.500 0.088 0.000 2.272 113 R HA 0.366 4.710 4.340 0.007 0.000 0.334 113 R C -1.010 175.483 176.300 0.322 0.000 1.117 113 R CA -0.452 55.757 56.100 0.182 0.000 0.966 113 R CB 0.169 30.559 30.300 0.150 0.000 1.049 113 R HN 0.621 nan 8.270 nan 0.000 0.477 114 I N 6.927 127.813 120.570 0.527 0.000 2.471 114 I HA -0.055 4.119 4.170 0.007 0.000 0.286 114 I C 1.249 177.517 176.117 0.253 0.000 1.079 114 I CA 0.209 61.677 61.300 0.279 0.000 1.398 114 I CB 1.084 39.121 38.000 0.062 0.000 1.403 114 I HN 0.776 nan 8.210 nan 0.000 0.530 115 L N 4.741 126.117 121.223 0.254 0.000 2.357 115 L HA 0.098 4.442 4.340 0.007 0.000 0.211 115 L C 0.697 177.792 176.870 0.374 0.000 1.075 115 L CA 0.408 55.417 54.840 0.281 0.000 0.830 115 L CB -0.006 42.101 42.059 0.080 0.000 0.996 115 L HN 0.819 nan 8.230 nan 0.000 0.467 116 S N -1.414 114.481 115.700 0.326 0.000 2.611 116 S HA 0.739 5.213 4.470 0.007 0.000 0.270 116 S C -0.756 174.033 174.600 0.315 0.000 1.131 116 S CA -0.170 58.243 58.200 0.356 0.000 0.826 116 S CB 1.757 65.254 63.200 0.495 0.000 1.095 116 S HN 0.127 nan 8.310 nan 0.000 0.461 117 G N -0.226 108.737 108.800 0.270 0.000 2.616 117 G HA2 0.574 4.538 3.960 0.007 0.000 0.294 117 G HA3 0.574 4.538 3.960 0.007 0.000 0.294 117 G C -2.019 172.999 174.900 0.196 0.000 1.489 117 G CA -0.343 44.918 45.100 0.267 0.000 0.836 117 G HN 1.283 nan 8.290 nan 0.000 0.527 118 V N 0.590 120.610 119.914 0.177 0.000 2.876 118 V HA 0.689 4.813 4.120 0.007 0.000 0.312 118 V C -1.325 174.804 176.094 0.057 0.000 1.085 118 V CA -0.673 61.693 62.300 0.110 0.000 0.945 118 V CB 2.322 34.203 31.823 0.096 0.000 1.017 118 V HN 0.861 nan 8.190 nan 0.000 0.428 119 D N 1.340 121.740 120.400 -0.001 0.000 2.481 119 D HA 0.349 4.993 4.640 0.007 0.000 0.246 119 D C 0.972 177.176 176.300 -0.160 0.000 1.109 119 D CA 0.115 54.098 54.000 -0.027 0.000 0.845 119 D CB 2.107 42.920 40.800 0.021 0.000 1.160 119 D HN 0.668 nan 8.370 nan 0.000 0.534 120 T N 0.831 115.249 114.554 -0.227 0.000 3.085 120 T HA 0.265 4.619 4.350 0.007 0.000 0.263 120 T C 1.530 176.219 174.700 -0.018 0.000 1.127 120 T CA 0.802 62.696 62.100 -0.345 0.000 1.103 120 T CB 0.015 68.769 68.868 -0.189 0.000 0.921 120 T HN 0.709 nan 8.240 nan 0.000 0.510 121 G N 0.990 109.796 108.800 0.010 0.000 2.254 121 G HA2 -0.219 3.745 3.960 0.007 0.000 0.225 121 G HA3 -0.219 3.745 3.960 0.007 0.000 0.225 121 G C 0.810 175.739 174.900 0.048 0.000 1.003 121 G CA 0.317 45.449 45.100 0.054 0.000 0.622 121 G HN 0.549 nan 8.290 nan 0.000 0.507 122 E N -0.249 119.976 120.200 0.042 0.000 2.453 122 E HA 0.532 4.886 4.350 0.007 0.000 0.211 122 E C 0.761 177.386 176.600 0.041 0.000 0.897 122 E CA 0.667 57.093 56.400 0.044 0.000 1.063 122 E CB 1.352 31.081 29.700 0.049 0.000 1.080 122 E HN 0.882 nan 8.360 nan 0.000 0.512 123 A N 1.151 123.992 122.820 0.035 0.000 2.486 123 A HA 0.550 4.874 4.320 0.007 0.000 0.300 123 A C -0.929 176.691 177.584 0.060 0.000 1.048 123 A CA -0.505 51.562 52.037 0.050 0.000 0.696 123 A CB 1.861 20.888 19.000 0.044 0.000 1.278 123 A HN -0.031 nan 8.150 nan 0.000 0.405 124 V N 2.608 122.591 119.914 0.116 0.000 2.334 124 V HA 0.444 4.568 4.120 0.007 0.000 0.281 124 V C -0.436 175.837 176.094 0.298 0.000 1.016 124 V CA -0.401 62.006 62.300 0.179 0.000 0.832 124 V CB 1.179 33.104 31.823 0.171 0.000 0.999 124 V HN 0.647 nan 8.190 nan 0.000 0.439 125 V N 7.025 127.091 119.914 0.253 0.000 2.417 125 V HA 0.712 4.837 4.120 0.007 0.000 0.291 125 V C -0.441 175.839 176.094 0.310 0.000 1.024 125 V CA -0.508 61.906 62.300 0.189 0.000 0.861 125 V CB 1.204 33.088 31.823 0.102 0.000 0.985 125 V HN 0.808 nan 8.190 nan 0.000 0.436 126 F N 1.295 121.344 119.950 0.166 0.000 2.668 126 F HA 0.836 5.367 4.527 0.006 0.000 0.309 126 F C -0.251 175.694 175.800 0.241 0.000 1.117 126 F CA -0.915 57.194 58.000 0.181 0.000 0.951 126 F CB 1.597 40.678 39.000 0.134 0.000 1.323 126 F HN 0.418 nan 8.300 nan 0.000 0.451 127 T N -0.741 114.018 114.554 0.342 0.000 2.859 127 T HA 0.876 5.230 4.350 0.007 0.000 0.281 127 T C -0.274 174.638 174.700 0.353 0.000 1.005 127 T CA -0.388 61.853 62.100 0.234 0.000 1.025 127 T CB 1.427 70.366 68.868 0.118 0.000 0.977 127 T HN 1.333 nan 8.240 nan 0.000 0.458 128 G N -0.055 108.957 108.800 0.353 0.000 2.660 128 G HA2 0.729 4.694 3.960 0.007 0.000 0.294 128 G HA3 0.729 4.694 3.960 0.007 0.000 0.294 128 G C -1.496 173.513 174.900 0.183 0.000 1.369 128 G CA -0.886 44.404 45.100 0.317 0.000 0.912 128 G HN 1.073 nan 8.290 nan 0.000 0.479 129 A N 0.378 123.258 122.820 0.100 0.000 2.355 129 A HA 0.941 5.265 4.320 0.007 0.000 0.317 129 A C 0.318 177.923 177.584 0.035 0.000 1.094 129 A CA 0.024 52.064 52.037 0.005 0.000 0.764 129 A CB 1.497 20.428 19.000 -0.114 0.000 1.230 129 A HN 1.607 nan 8.150 nan 0.000 0.448 130 T N -1.308 113.258 114.554 0.019 0.000 2.773 130 T HA 0.502 4.856 4.350 0.007 0.000 0.278 130 T C 0.839 175.536 174.700 -0.006 0.000 1.011 130 T CA 0.165 62.277 62.100 0.019 0.000 1.014 130 T CB 1.050 69.940 68.868 0.037 0.000 1.293 130 T HN 0.512 nan 8.240 nan 0.000 0.554 131 E N 0.826 121.022 120.200 -0.007 0.000 2.160 131 E HA -0.178 4.176 4.350 0.007 0.000 0.195 131 E C 1.317 177.901 176.600 -0.026 0.000 0.991 131 E CA 2.204 58.593 56.400 -0.018 0.000 0.810 131 E CB -0.318 29.373 29.700 -0.016 0.000 0.742 131 E HN 0.756 nan 8.360 nan 0.000 0.466 132 D N -0.656 119.732 120.400 -0.020 0.000 2.398 132 D HA 0.033 4.678 4.640 0.007 0.000 0.210 132 D C 0.377 176.653 176.300 -0.039 0.000 1.094 132 D CA -0.102 53.882 54.000 -0.027 0.000 0.839 132 D CB 0.052 40.842 40.800 -0.018 0.000 0.963 132 D HN 0.311 nan 8.370 nan 0.000 0.506 133 R N -1.677 118.798 120.500 -0.041 0.000 2.741 133 R HA 0.545 4.890 4.340 0.007 0.000 0.276 133 R C -2.230 174.026 176.300 -0.073 0.000 1.028 133 R CA -0.942 55.118 56.100 -0.066 0.000 0.865 133 R CB 0.726 30.988 30.300 -0.064 0.000 1.268 133 R HN -0.167 nan 8.270 nan 0.000 0.475 134 V N 0.630 120.474 119.914 -0.117 0.000 2.448 134 V HA 0.851 4.976 4.120 0.007 0.000 0.295 134 V C -0.421 175.581 176.094 -0.153 0.000 1.025 134 V CA -0.131 62.093 62.300 -0.127 0.000 0.859 134 V CB 1.159 32.873 31.823 -0.183 0.000 0.988 134 V HN 0.978 nan 8.190 nan 0.000 0.431 135 A N 4.271 127.012 122.820 -0.133 0.000 2.566 135 A HA 0.934 5.258 4.320 0.007 0.000 0.292 135 A C -1.619 175.707 177.584 -0.430 0.000 1.112 135 A CA -0.671 51.140 52.037 -0.377 0.000 0.707 135 A CB 1.818 20.422 19.000 -0.659 0.000 1.302 135 A HN 0.817 nan 8.150 nan 0.000 0.409 136 L N 0.884 121.769 121.223 -0.563 0.000 2.282 136 L HA 0.778 5.122 4.340 0.007 0.000 0.288 136 L C -1.614 174.866 176.870 -0.651 0.000 1.033 136 L CA -0.165 54.430 54.840 -0.408 0.000 0.807 136 L CB 0.513 42.413 42.059 -0.265 0.000 1.209 136 L HN 0.607 nan 8.230 nan 0.000 0.423 137 Y N 3.342 123.333 120.300 -0.514 0.000 2.570 137 Y HA 0.845 5.399 4.550 0.007 0.000 0.345 137 Y C -0.063 175.505 175.900 -0.553 0.000 1.014 137 Y CA -0.761 56.961 58.100 -0.631 0.000 1.063 137 Y CB 2.154 39.972 38.460 -1.070 0.000 1.272 137 Y HN 0.712 nan 8.280 nan 0.000 0.477 138 A N 2.073 124.825 122.820 -0.114 0.000 2.398 138 A HA 0.716 5.041 4.320 0.007 0.000 0.301 138 A C -2.249 175.384 177.584 0.083 0.000 1.041 138 A CA -0.561 51.472 52.037 -0.008 0.000 0.711 138 A CB 1.232 20.234 19.000 0.003 0.000 1.240 138 A HN 0.630 nan 8.150 nan 0.000 0.420 139 L N 3.290 124.610 121.223 0.162 0.000 2.342 139 L HA 0.738 5.082 4.340 0.007 0.000 0.276 139 L C -0.829 176.103 176.870 0.103 0.000 0.997 139 L CA -0.231 54.704 54.840 0.157 0.000 0.838 139 L CB 1.178 43.374 42.059 0.230 0.000 1.224 139 L HN 0.855 nan 8.230 nan 0.000 0.416 140 D N 2.353 122.796 120.400 0.071 0.000 2.727 140 D HA 0.442 5.086 4.640 0.007 0.000 0.264 140 D C 1.012 177.337 176.300 0.042 0.000 1.101 140 D CA -0.144 53.888 54.000 0.053 0.000 1.122 140 D CB 0.440 41.267 40.800 0.045 0.000 1.390 140 D HN 0.397 nan 8.370 nan 0.000 0.606 141 G N -1.488 107.333 108.800 0.035 0.000 2.527 141 G HA2 0.028 3.993 3.960 0.007 0.000 0.219 141 G HA3 0.028 3.993 3.960 0.007 0.000 0.219 141 G C 1.109 176.024 174.900 0.025 0.000 1.117 141 G CA 0.592 45.708 45.100 0.028 0.000 0.759 141 G HN 0.607 nan 8.290 nan 0.000 0.556 142 G N -1.014 107.803 108.800 0.027 0.000 3.088 142 G HA2 0.485 4.449 3.960 0.007 0.000 0.217 142 G HA3 0.485 4.449 3.960 0.007 0.000 0.217 142 G C 0.747 175.662 174.900 0.026 0.000 1.159 142 G CA 0.539 45.653 45.100 0.024 0.000 0.760 142 G HN 1.207 nan 8.290 nan 0.000 0.550 143 G N -0.818 108.001 108.800 0.032 0.000 2.373 143 G HA2 0.178 4.142 3.960 0.007 0.000 0.634 143 G HA3 0.178 4.142 3.960 0.007 0.000 0.634 143 G C -1.256 173.676 174.900 0.053 0.000 1.267 143 G CA -0.423 44.699 45.100 0.036 0.000 1.008 143 G HN 0.777 nan 8.290 nan 0.000 0.497 144 L N 0.480 121.740 121.223 0.060 0.000 2.312 144 L HA 0.882 5.226 4.340 0.007 0.000 0.281 144 L C 0.547 177.466 176.870 0.082 0.000 1.070 144 L CA -0.359 54.535 54.840 0.090 0.000 0.805 144 L CB 0.955 43.073 42.059 0.099 0.000 1.174 144 L HN 0.682 nan 8.230 nan 0.000 0.434 145 R N 3.343 123.895 120.500 0.087 0.000 2.628 145 R HA 0.356 4.700 4.340 0.007 0.000 0.288 145 R C -1.211 175.114 176.300 0.041 0.000 0.980 145 R CA -0.748 55.383 56.100 0.051 0.000 0.891 145 R CB 1.926 32.235 30.300 0.015 0.000 1.188 145 R HN 0.635 nan 8.270 nan 0.000 0.450 146 E N 3.922 124.114 120.200 -0.015 0.000 2.089 146 E HA 0.104 4.458 4.350 0.007 0.000 0.284 146 E C 0.423 176.897 176.600 -0.211 0.000 1.023 146 E CA -0.175 56.100 56.400 -0.208 0.000 0.819 146 E CB 0.763 30.333 29.700 -0.216 0.000 1.076 146 E HN 0.553 nan 8.360 nan 0.000 0.396 147 L N 3.117 124.188 121.223 -0.253 0.000 2.131 147 L HA 0.199 4.543 4.340 0.007 0.000 0.206 147 L C 0.833 177.585 176.870 -0.197 0.000 1.087 147 L CA 0.638 55.373 54.840 -0.175 0.000 0.767 147 L CB -0.137 41.840 42.059 -0.137 0.000 0.917 147 L HN 0.525 nan 8.230 nan 0.000 0.441 148 A N -0.468 122.179 122.820 -0.287 0.000 2.599 148 A HA 0.527 4.851 4.320 0.007 0.000 0.294 148 A C -1.094 176.283 177.584 -0.344 0.000 1.055 148 A CA -0.629 51.240 52.037 -0.279 0.000 0.683 148 A CB 1.198 20.043 19.000 -0.259 0.000 1.278 148 A HN 0.066 nan 8.150 nan 0.000 0.412 149 R N 1.428 121.750 120.500 -0.297 0.000 2.312 149 R HA 0.683 5.027 4.340 0.007 0.000 0.311 149 R C -1.195 174.899 176.300 -0.344 0.000 1.004 149 R CA -0.465 55.459 56.100 -0.293 0.000 0.902 149 R CB 0.489 30.656 30.300 -0.223 0.000 1.073 149 R HN 0.680 nan 8.270 nan 0.000 0.457 150 L N 6.091 127.100 121.223 -0.357 0.000 2.334 150 L HA 0.425 4.769 4.340 0.007 0.000 0.275 150 L C -1.617 174.974 176.870 -0.464 0.000 1.036 150 L CA -2.314 52.234 54.840 -0.487 0.000 0.807 150 L CB 1.813 43.674 42.059 -0.330 0.000 1.231 150 L HN 0.552 nan 8.230 nan 0.000 0.438 151 P HA 0.021 nan 4.420 nan 0.000 0.226 151 P C 0.394 177.622 177.300 -0.120 0.000 1.153 151 P CA 0.407 63.250 63.100 -0.428 0.000 0.777 151 P CB 0.400 31.773 31.700 -0.544 0.000 0.794 152 G N -2.364 106.460 108.800 0.039 0.000 2.494 152 G HA2 0.332 4.297 3.960 0.007 0.000 0.308 152 G HA3 0.332 4.297 3.960 0.007 0.000 0.308 152 G C -1.458 173.627 174.900 0.309 0.000 1.263 152 G CA -0.806 44.437 45.100 0.238 0.000 0.840 152 G HN -0.177 nan 8.290 nan 0.000 0.479 153 F N 1.040 121.121 119.950 0.218 0.000 2.629 153 F HA 0.417 4.948 4.527 0.007 0.000 0.377 153 F C 1.272 177.183 175.800 0.184 0.000 1.101 153 F CA 1.763 59.815 58.000 0.086 0.000 1.301 153 F CB 0.876 39.949 39.000 0.122 0.000 1.062 153 F HN 0.577 nan 8.300 nan 0.000 0.583 154 G N 3.008 111.821 108.800 0.022 0.000 2.706 154 G HA2 0.673 4.637 3.960 0.007 0.000 0.297 154 G HA3 0.673 4.637 3.960 0.007 0.000 0.297 154 G C -2.047 172.747 174.900 -0.177 0.000 1.403 154 G CA -0.674 44.544 45.100 0.196 0.000 0.954 154 G HN 0.330 nan 8.290 nan 0.000 0.500 155 F N 0.513 120.755 119.950 0.486 0.000 2.556 155 F HA 0.481 5.012 4.527 0.007 0.000 0.314 155 F C 0.275 176.227 175.800 0.255 0.000 1.106 155 F CA -1.084 57.124 58.000 0.346 0.000 0.911 155 F CB 2.376 41.536 39.000 0.268 0.000 1.190 155 F HN 0.292 nan 8.300 nan 0.000 0.448 156 V N 2.263 122.415 119.914 0.398 0.000 2.521 156 V HA 0.132 4.256 4.120 0.007 0.000 0.286 156 V C 0.388 176.587 176.094 0.176 0.000 1.034 156 V CA 0.344 62.793 62.300 0.248 0.000 1.045 156 V CB 0.925 32.897 31.823 0.248 0.000 0.974 156 V HN 0.997 nan 8.190 nan 0.000 0.480 157 S N 2.180 117.912 115.700 0.052 0.000 2.506 157 S HA 0.149 4.623 4.470 0.007 0.000 0.230 157 S C 0.281 174.931 174.600 0.084 0.000 1.066 157 S CA 0.285 58.516 58.200 0.051 0.000 0.940 157 S CB 0.176 63.344 63.200 -0.052 0.000 0.818 157 S HN 0.944 nan 8.310 nan 0.000 0.518 158 D N -1.169 119.272 120.400 0.069 0.000 2.653 158 D HA 0.502 5.147 4.640 0.007 0.000 0.258 158 D C -1.935 174.442 176.300 0.129 0.000 1.252 158 D CA -0.464 53.611 54.000 0.125 0.000 0.777 158 D CB 1.099 41.955 40.800 0.093 0.000 1.339 158 D HN 0.012 nan 8.370 nan 0.000 0.422 159 I N 1.169 121.867 120.570 0.213 0.000 2.607 159 I HA 0.490 4.665 4.170 0.007 0.000 0.290 159 I C -0.837 175.427 176.117 0.246 0.000 1.129 159 I CA -0.749 60.668 61.300 0.196 0.000 1.042 159 I CB 2.424 40.517 38.000 0.155 0.000 1.242 159 I HN 0.242 nan 8.210 nan 0.000 0.421 160 R N 4.008 124.590 120.500 0.138 0.000 2.510 160 R HA 0.603 4.948 4.340 0.007 0.000 0.287 160 R C 0.195 176.535 176.300 0.067 0.000 1.084 160 R CA 0.368 56.522 56.100 0.090 0.000 0.934 160 R CB 1.796 32.102 30.300 0.010 0.000 1.201 160 R HN 0.917 nan 8.270 nan 0.000 0.431 161 G N 3.277 112.122 108.800 0.075 0.000 2.574 161 G HA2 -0.351 3.613 3.960 0.007 0.000 0.286 161 G HA3 -0.351 3.613 3.960 0.007 0.000 0.286 161 G C 0.027 174.963 174.900 0.061 0.000 1.212 161 G CA 0.533 45.665 45.100 0.054 0.000 0.979 161 G HN 0.670 nan 8.290 nan 0.000 0.557 162 D N 0.222 120.648 120.400 0.044 0.000 2.325 162 D HA 0.339 4.984 4.640 0.007 0.000 0.225 162 D C 0.606 176.934 176.300 0.048 0.000 1.096 162 D CA -0.030 53.997 54.000 0.044 0.000 0.844 162 D CB 0.184 41.004 40.800 0.033 0.000 0.925 162 D HN 0.325 nan 8.370 nan 0.000 0.513 163 L N 1.234 122.486 121.223 0.048 0.000 2.264 163 L HA 0.405 4.749 4.340 0.007 0.000 0.289 163 L C -0.704 176.203 176.870 0.063 0.000 1.044 163 L CA -0.307 54.563 54.840 0.049 0.000 0.807 163 L CB 0.626 42.700 42.059 0.025 0.000 1.192 163 L HN -0.145 nan 8.230 nan 0.000 0.425 164 I N 5.045 125.661 120.570 0.078 0.000 2.377 164 I HA 0.675 4.849 4.170 0.007 0.000 0.293 164 I C -0.070 176.086 176.117 0.065 0.000 0.987 164 I CA -0.477 60.878 61.300 0.091 0.000 1.185 164 I CB 1.733 39.811 38.000 0.131 0.000 1.341 164 I HN 0.766 nan 8.210 nan 0.000 0.455 165 A N 4.340 127.155 122.820 -0.009 0.000 2.365 165 A HA 0.964 5.289 4.320 0.007 0.000 0.318 165 A C -0.287 177.096 177.584 -0.336 0.000 1.091 165 A CA -0.431 51.516 52.037 -0.151 0.000 0.763 165 A CB 1.636 20.558 19.000 -0.131 0.000 1.248 165 A HN 0.847 nan 8.150 nan 0.000 0.442 166 G N -0.205 108.098 108.800 -0.829 0.000 2.645 166 G HA2 0.597 4.561 3.960 0.007 0.000 0.292 166 G HA3 0.597 4.561 3.960 0.007 0.000 0.292 166 G C -1.749 172.544 174.900 -1.012 0.000 1.415 166 G CA -0.667 43.791 45.100 -1.071 0.000 0.785 166 G HN 0.749 nan 8.290 nan 0.000 0.483 167 L N 0.084 121.048 121.223 -0.431 0.000 2.365 167 L HA 0.775 5.119 4.340 0.007 0.000 0.273 167 L C 0.295 177.240 176.870 0.124 0.000 1.000 167 L CA -0.791 53.969 54.840 -0.134 0.000 0.819 167 L CB 2.418 44.454 42.059 -0.037 0.000 1.284 167 L HN 0.784 nan 8.230 nan 0.000 0.418 168 G N 1.362 110.025 108.800 -0.228 0.000 2.687 168 G HA2 0.597 4.561 3.960 0.007 0.000 0.301 168 G HA3 0.597 4.561 3.960 0.007 0.000 0.301 168 G C -1.274 173.136 174.900 -0.816 0.000 1.416 168 G CA -0.348 44.330 45.100 -0.703 0.000 1.005 168 G HN 0.304 nan 8.290 nan 0.000 0.509 169 F N 2.610 122.484 119.950 -0.127 0.000 2.567 169 F HA 0.321 4.852 4.527 0.007 0.000 0.352 169 F C 0.719 176.714 175.800 0.324 0.000 1.229 169 F CA -0.565 57.507 58.000 0.119 0.000 1.228 169 F CB 0.081 39.257 39.000 0.293 0.000 1.568 169 F HN 0.474 nan 8.300 nan 0.000 0.634 170 F N 0.984 121.084 119.950 0.251 0.000 2.645 170 F HA 0.439 4.970 4.527 0.007 0.000 0.300 170 F C 1.132 177.015 175.800 0.139 0.000 1.115 170 F CA -0.437 57.666 58.000 0.171 0.000 1.355 170 F CB 0.355 39.422 39.000 0.112 0.000 1.026 170 F HN 0.415 nan 8.300 nan 0.000 0.536 171 G N -1.032 107.963 108.800 0.325 0.000 2.308 171 G HA2 0.329 4.293 3.960 0.007 0.000 0.288 171 G HA3 0.329 4.293 3.960 0.007 0.000 0.288 171 G C 0.199 175.201 174.900 0.170 0.000 1.722 171 G CA -0.387 44.841 45.100 0.214 0.000 0.924 171 G HN 0.324 nan 8.290 nan 0.000 0.732 172 G N -0.397 108.484 108.800 0.134 0.000 2.296 172 G HA2 0.242 4.207 3.960 0.007 0.000 0.282 172 G HA3 0.242 4.207 3.960 0.007 0.000 0.282 172 G C 2.111 177.097 174.900 0.144 0.000 1.014 172 G CA 1.633 46.798 45.100 0.108 0.000 0.812 172 G HN 2.908 nan 8.290 nan 0.000 0.508 173 G N -1.709 107.232 108.800 0.236 0.000 2.184 173 G HA2 -0.330 3.634 3.960 0.007 0.000 0.264 173 G HA3 -0.330 3.634 3.960 0.007 0.000 0.264 173 G C 0.616 175.620 174.900 0.174 0.000 0.975 173 G CA 1.142 46.454 45.100 0.354 0.000 0.642 173 G HN 1.031 nan 8.290 nan 0.000 0.536 174 R N -0.486 120.073 120.500 0.098 0.000 2.582 174 R HA 0.540 4.884 4.340 0.007 0.000 0.271 174 R C -0.133 176.088 176.300 -0.132 0.000 1.078 174 R CA -0.345 55.738 56.100 -0.028 0.000 1.127 174 R CB 1.361 31.662 30.300 0.002 0.000 1.038 174 R HN 0.095 nan 8.270 nan 0.000 0.500 175 V N 1.748 121.505 119.914 -0.261 0.000 2.384 175 V HA 0.247 4.372 4.120 0.007 0.000 0.287 175 V C -0.218 175.811 176.094 -0.108 0.000 1.020 175 V CA -0.552 61.495 62.300 -0.422 0.000 0.850 175 V CB 1.657 33.122 31.823 -0.596 0.000 0.987 175 V HN 0.773 nan 8.190 nan 0.000 0.436 176 S N 4.298 119.921 115.700 -0.129 0.000 2.651 176 S HA 0.739 5.213 4.470 0.007 0.000 0.291 176 S C -0.497 174.095 174.600 -0.013 0.000 1.141 176 S CA -0.526 57.727 58.200 0.088 0.000 1.027 176 S CB 1.893 65.140 63.200 0.078 0.000 1.043 176 S HN 0.588 nan 8.310 nan 0.000 0.530 177 L N 2.758 123.928 121.223 -0.088 0.000 2.357 177 L HA 0.746 5.090 4.340 0.007 0.000 0.273 177 L C -1.033 175.910 176.870 0.122 0.000 1.080 177 L CA -0.234 54.450 54.840 -0.260 0.000 0.803 177 L CB 0.381 41.992 42.059 -0.747 0.000 1.174 177 L HN 0.635 nan 8.230 nan 0.000 0.443 178 F N 1.098 121.104 119.950 0.093 0.000 2.599 178 F HA 0.908 5.439 4.527 0.007 0.000 0.311 178 F C -0.711 175.200 175.800 0.185 0.000 1.076 178 F CA -0.468 57.644 58.000 0.187 0.000 0.937 178 F CB 1.324 40.459 39.000 0.225 0.000 1.282 178 F HN 0.616 nan 8.300 nan 0.000 0.460 179 T N -0.789 114.085 114.554 0.534 0.000 2.896 179 T HA 0.794 5.148 4.350 0.007 0.000 0.297 179 T C -0.998 173.899 174.700 0.329 0.000 1.108 179 T CA -0.613 61.703 62.100 0.361 0.000 1.004 179 T CB 1.553 70.595 68.868 0.290 0.000 1.159 179 T HN 1.113 nan 8.240 nan 0.000 0.499 180 S N 0.456 116.294 115.700 0.231 0.000 2.688 180 S HA 0.573 5.047 4.470 0.007 0.000 0.275 180 S C -1.864 172.792 174.600 0.094 0.000 1.175 180 S CA -0.860 57.423 58.200 0.138 0.000 0.818 180 S CB 1.707 64.978 63.200 0.119 0.000 1.157 180 S HN 0.940 nan 8.310 nan 0.000 0.482 181 N N 1.956 120.689 118.700 0.055 0.000 2.417 181 N HA 0.257 5.001 4.740 0.007 0.000 0.274 181 N C 0.618 176.147 175.510 0.032 0.000 0.987 181 N CA -0.454 52.621 53.050 0.042 0.000 0.912 181 N CB 1.524 40.029 38.487 0.029 0.000 1.177 181 N HN 0.578 nan 8.380 nan 0.000 0.490 182 L N 3.788 125.034 121.223 0.039 0.000 2.079 182 L HA -0.084 4.261 4.340 0.007 0.000 0.210 182 L C 1.704 178.587 176.870 0.022 0.000 1.081 182 L CA 1.915 56.775 54.840 0.033 0.000 0.752 182 L CB -0.467 41.617 42.059 0.043 0.000 0.896 182 L HN 0.560 nan 8.230 nan 0.000 0.433 183 S N -1.473 114.239 115.700 0.021 0.000 2.425 183 S HA 0.009 4.483 4.470 0.007 0.000 0.225 183 S C 1.499 176.104 174.600 0.007 0.000 1.024 183 S CA 0.880 59.089 58.200 0.016 0.000 0.951 183 S CB -0.020 63.191 63.200 0.017 0.000 0.796 183 S HN 0.708 nan 8.310 nan 0.000 0.498 184 S N -0.080 115.622 115.700 0.004 0.000 2.780 184 S HA 0.574 5.048 4.470 0.007 0.000 0.248 184 S C 0.977 175.567 174.600 -0.016 0.000 1.036 184 S CA 0.120 58.316 58.200 -0.005 0.000 1.061 184 S CB 0.306 63.504 63.200 -0.003 0.000 1.037 184 S HN 0.678 nan 8.310 nan 0.000 0.584 185 G N 1.272 110.062 108.800 -0.017 0.000 2.552 185 G HA2 0.272 4.236 3.960 0.007 0.000 0.265 185 G HA3 0.272 4.236 3.960 0.007 0.000 0.265 185 G C 0.517 175.397 174.900 -0.033 0.000 1.234 185 G CA -0.085 44.993 45.100 -0.036 0.000 0.944 185 G HN 2.136 nan 8.290 nan 0.000 0.568 186 G N -2.469 106.296 108.800 -0.059 0.000 2.757 186 G HA2 0.450 4.414 3.960 0.007 0.000 0.638 186 G HA3 0.450 4.414 3.960 0.007 0.000 0.638 186 G C -0.779 174.086 174.900 -0.058 0.000 1.344 186 G CA 0.333 45.398 45.100 -0.057 0.000 0.855 186 G HN 2.352 nan 8.290 nan 0.000 0.537 187 L N -0.705 120.482 121.223 -0.060 0.000 2.549 187 L HA 0.825 5.169 4.340 0.007 0.000 0.259 187 L C -0.399 176.437 176.870 -0.056 0.000 0.934 187 L CA -0.612 54.197 54.840 -0.051 0.000 0.865 187 L CB 2.055 44.034 42.059 -0.134 0.000 1.352 187 L HN 0.860 nan 8.230 nan 0.000 0.410 188 R N 3.471 123.958 120.500 -0.022 0.000 2.513 188 R HA 0.792 5.136 4.340 0.007 0.000 0.301 188 R C -1.622 174.497 176.300 -0.302 0.000 0.968 188 R CA -0.841 55.138 56.100 -0.202 0.000 0.872 188 R CB 2.321 32.514 30.300 -0.179 0.000 1.177 188 R HN 0.438 nan 8.270 nan 0.000 0.444 189 V N 4.740 124.400 119.914 -0.423 0.000 2.417 189 V HA 0.486 4.610 4.120 0.007 0.000 0.291 189 V C -0.820 174.970 176.094 -0.507 0.000 1.024 189 V CA -0.654 61.512 62.300 -0.223 0.000 0.861 189 V CB 1.389 33.256 31.823 0.073 0.000 0.985 189 V HN 0.521 nan 8.190 nan 0.000 0.436 190 F N 2.508 122.498 119.950 0.067 0.000 2.426 190 F HA 0.546 5.077 4.527 0.007 0.000 0.348 190 F C 0.248 176.134 175.800 0.143 0.000 1.124 190 F CA -0.735 57.288 58.000 0.037 0.000 1.008 190 F CB 1.331 40.270 39.000 -0.101 0.000 1.139 190 F HN 0.385 nan 8.300 nan 0.000 0.452 191 D N 1.331 121.925 120.400 0.323 0.000 2.192 191 D HA 0.247 4.891 4.640 0.007 0.000 0.246 191 D C -0.703 175.786 176.300 0.314 0.000 1.042 191 D CA -0.265 53.928 54.000 0.321 0.000 0.847 191 D CB 2.298 43.206 40.800 0.180 0.000 1.186 191 D HN 0.397 nan 8.370 nan 0.000 0.461 192 S N 0.221 116.053 115.700 0.220 0.000 2.451 192 S HA 0.497 4.971 4.470 0.007 0.000 0.301 192 S C 1.034 175.622 174.600 -0.021 0.000 1.116 192 S CA -0.658 57.558 58.200 0.027 0.000 1.093 192 S CB 1.289 64.290 63.200 -0.332 0.000 1.017 192 S HN 0.468 nan 8.310 nan 0.000 0.482 193 G N 2.680 111.479 108.800 -0.002 0.000 2.920 193 G HA2 0.099 4.064 3.960 0.007 0.000 0.208 193 G HA3 0.099 4.064 3.960 0.007 0.000 0.208 193 G C 0.827 175.706 174.900 -0.034 0.000 1.159 193 G CA -0.034 45.063 45.100 -0.006 0.000 0.784 193 G HN 0.798 nan 8.290 nan 0.000 0.535 194 E N -0.682 119.475 120.200 -0.071 0.000 2.364 194 E HA 0.339 4.693 4.350 0.007 0.000 0.196 194 E C 1.336 177.867 176.600 -0.114 0.000 0.990 194 E CA 0.372 56.722 56.400 -0.083 0.000 0.886 194 E CB 0.747 30.391 29.700 -0.093 0.000 0.866 194 E HN 0.379 nan 8.360 nan 0.000 0.493 195 G N 0.215 108.915 108.800 -0.167 0.000 2.399 195 G HA2 0.103 4.067 3.960 0.007 0.000 0.256 195 G HA3 0.103 4.067 3.960 0.007 0.000 0.256 195 G C -1.216 173.519 174.900 -0.275 0.000 1.236 195 G CA -0.697 44.293 45.100 -0.183 0.000 0.914 195 G HN -0.002 nan 8.290 nan 0.000 0.482 196 S N -0.435 115.094 115.700 -0.285 0.000 2.503 196 S HA 0.745 5.220 4.470 0.007 0.000 0.301 196 S C -0.882 173.508 174.600 -0.349 0.000 1.087 196 S CA -0.384 57.637 58.200 -0.299 0.000 1.042 196 S CB 1.133 64.201 63.200 -0.221 0.000 1.043 196 S HN 0.416 nan 8.310 nan 0.000 0.489 197 F N 1.888 121.758 119.950 -0.133 0.000 2.429 197 F HA 0.269 4.800 4.527 0.007 0.000 0.348 197 F C 1.727 177.437 175.800 -0.151 0.000 1.109 197 F CA -0.093 57.833 58.000 -0.123 0.000 1.232 197 F CB 1.086 40.015 39.000 -0.117 0.000 1.157 197 F HN 0.701 nan 8.300 nan 0.000 0.564 198 S N -0.725 115.002 115.700 0.045 0.000 2.604 198 S HA 0.294 4.768 4.470 0.007 0.000 0.235 198 S C -0.067 174.524 174.600 -0.015 0.000 1.043 198 S CA 0.338 58.530 58.200 -0.015 0.000 0.997 198 S CB -0.066 63.123 63.200 -0.018 0.000 0.956 198 S HN 0.602 nan 8.310 nan 0.000 0.535 199 S N 0.027 115.712 115.700 -0.025 0.000 2.565 199 S HA 0.869 5.344 4.470 0.007 0.000 0.269 199 S C -1.038 173.490 174.600 -0.120 0.000 1.153 199 S CA -0.444 57.706 58.200 -0.084 0.000 0.835 199 S CB 1.266 64.392 63.200 -0.124 0.000 1.122 199 S HN 1.345 nan 8.310 nan 0.000 0.462 200 A N 0.517 123.236 122.820 -0.170 0.000 2.566 200 A HA 0.910 5.234 4.320 0.007 0.000 0.297 200 A C -0.739 176.746 177.584 -0.164 0.000 1.059 200 A CA -0.494 51.443 52.037 -0.168 0.000 0.691 200 A CB 1.558 20.456 19.000 -0.170 0.000 1.282 200 A HN 1.557 nan 8.150 nan 0.000 0.401 201 S N 0.973 116.602 115.700 -0.119 0.000 2.536 201 S HA 0.660 5.134 4.470 0.007 0.000 0.271 201 S C -1.151 173.520 174.600 0.117 0.000 1.134 201 S CA -0.495 57.698 58.200 -0.012 0.000 0.897 201 S CB 0.681 63.823 63.200 -0.097 0.000 1.094 201 S HN 0.659 nan 8.310 nan 0.000 0.473 202 I N 4.194 124.820 120.570 0.093 0.000 2.371 202 I HA 0.266 4.440 4.170 0.007 0.000 0.290 202 I C 0.922 176.929 176.117 -0.183 0.000 1.028 202 I CA -0.324 60.971 61.300 -0.009 0.000 1.345 202 I CB 1.489 39.471 38.000 -0.030 0.000 1.407 202 I HN 0.711 nan 8.210 nan 0.000 0.501 203 S N 6.196 121.684 115.700 -0.353 0.000 2.600 203 S HA 0.272 4.747 4.470 0.007 0.000 0.265 203 S C -1.851 172.447 174.600 -0.504 0.000 1.325 203 S CA -1.034 56.657 58.200 -0.849 0.000 1.002 203 S CB 0.933 63.827 63.200 -0.509 0.000 0.921 203 S HN 0.393 nan 8.310 nan 0.000 0.554 204 P HA 0.044 nan 4.420 nan 0.000 0.219 204 P C 1.288 178.473 177.300 -0.191 0.000 1.146 204 P CA 1.365 64.300 63.100 -0.276 0.000 0.808 204 P CB -0.359 31.199 31.700 -0.236 0.000 0.779 205 G N -1.454 107.229 108.800 -0.196 0.000 3.026 205 G HA2 -0.009 3.955 3.960 0.007 0.000 0.208 205 G HA3 -0.009 3.955 3.960 0.007 0.000 0.208 205 G C 0.530 175.362 174.900 -0.113 0.000 1.169 205 G CA -0.077 44.946 45.100 -0.129 0.000 0.788 205 G HN 0.016 nan 8.290 nan 0.000 0.533 206 M N -0.586 118.935 119.600 -0.132 0.000 2.537 206 M HA -0.117 4.367 4.480 0.007 0.000 0.205 206 M C -0.505 175.736 176.300 -0.098 0.000 0.450 206 M CA 0.938 56.178 55.300 -0.100 0.000 0.553 206 M CB -1.976 30.584 32.600 -0.066 0.000 2.046 206 M HN 0.173 nan 8.290 nan 0.000 0.797 207 K N -0.046 120.284 120.400 -0.116 0.000 2.221 207 K HA 0.790 5.114 4.320 0.007 0.000 0.243 207 K C 0.003 176.536 176.600 -0.112 0.000 0.968 207 K CA -0.719 55.500 56.287 -0.114 0.000 0.846 207 K CB 2.008 34.450 32.500 -0.097 0.000 1.141 207 K HN 0.020 nan 8.250 nan 0.000 0.434 208 V N 2.011 121.839 119.914 -0.144 0.000 2.364 208 V HA 0.197 4.321 4.120 0.007 0.000 0.272 208 V C 0.082 176.116 176.094 -0.100 0.000 1.036 208 V CA -0.538 61.680 62.300 -0.137 0.000 0.880 208 V CB 1.137 32.819 31.823 -0.235 0.000 0.991 208 V HN 0.650 nan 8.190 nan 0.000 0.460 209 T N 4.817 119.360 114.554 -0.018 0.000 2.856 209 T HA 0.714 5.069 4.350 0.007 0.000 0.292 209 T C 0.107 174.756 174.700 -0.085 0.000 0.980 209 T CA -0.064 62.021 62.100 -0.025 0.000 1.091 209 T CB 1.342 70.224 68.868 0.023 0.000 0.936 209 T HN 0.994 nan 8.240 nan 0.000 0.503 210 A N 1.989 124.773 122.820 -0.059 0.000 2.574 210 A HA 0.792 5.116 4.320 0.007 0.000 0.297 210 A C 0.022 177.627 177.584 0.035 0.000 1.062 210 A CA -0.788 51.237 52.037 -0.020 0.000 0.686 210 A CB 1.351 20.368 19.000 0.029 0.000 1.285 210 A HN 0.969 nan 8.150 nan 0.000 0.403 211 G N -0.075 108.737 108.800 0.019 0.000 2.390 211 G HA2 0.552 4.516 3.960 0.007 0.000 0.270 211 G HA3 0.552 4.516 3.960 0.007 0.000 0.270 211 G C -0.850 174.075 174.900 0.041 0.000 1.211 211 G CA -0.136 44.978 45.100 0.022 0.000 0.842 211 G HN 1.147 nan 8.290 nan 0.000 0.519 212 L N 1.447 122.658 121.223 -0.021 0.000 2.343 212 L HA 0.504 4.849 4.340 0.007 0.000 0.278 212 L C -0.234 176.558 176.870 -0.131 0.000 0.996 212 L CA -0.634 54.105 54.840 -0.168 0.000 0.831 212 L CB 1.603 43.540 42.059 -0.203 0.000 1.232 212 L HN 0.569 nan 8.230 nan 0.000 0.413 213 E N 3.581 123.686 120.200 -0.158 0.000 2.109 213 E HA 0.423 4.777 4.350 0.007 0.000 0.278 213 E C -0.293 176.236 176.600 -0.118 0.000 0.954 213 E CA -0.389 55.948 56.400 -0.105 0.000 0.779 213 E CB 1.082 30.733 29.700 -0.081 0.000 1.093 213 E HN 0.752 nan 8.360 nan 0.000 0.401 214 T N -0.727 113.776 114.554 -0.085 0.000 2.893 214 T HA 0.518 4.872 4.350 0.007 0.000 0.279 214 T C 1.477 176.157 174.700 -0.033 0.000 0.991 214 T CA -0.153 61.904 62.100 -0.072 0.000 0.950 214 T CB 1.257 70.084 68.868 -0.068 0.000 1.223 214 T HN 0.333 nan 8.240 nan 0.000 0.585 215 A N 0.796 123.605 122.820 -0.019 0.000 1.893 215 A HA -0.206 4.118 4.320 0.007 0.000 0.222 215 A C 2.252 179.854 177.584 0.030 0.000 1.309 215 A CA 2.201 54.246 52.037 0.013 0.000 0.681 215 A CB -0.780 18.225 19.000 0.009 0.000 0.842 215 A HN 0.697 nan 8.150 nan 0.000 0.468 216 R N -0.547 119.957 120.500 0.006 0.000 2.549 216 R HA 0.214 4.558 4.340 0.007 0.000 0.361 216 R C -1.020 175.265 176.300 -0.024 0.000 0.969 216 R CA 0.446 56.550 56.100 0.007 0.000 1.158 216 R CB 0.327 30.623 30.300 -0.005 0.000 1.456 216 R HN 0.698 nan 8.270 nan 0.000 0.540 217 E N -0.863 119.315 120.200 -0.037 0.000 2.456 217 E HA 0.726 5.080 4.350 0.007 0.000 0.276 217 E C -1.453 175.114 176.600 -0.054 0.000 0.981 217 E CA -0.977 55.386 56.400 -0.060 0.000 0.814 217 E CB 1.182 30.837 29.700 -0.076 0.000 1.382 217 E HN 0.080 nan 8.360 nan 0.000 0.459 218 A N 0.582 123.368 122.820 -0.057 0.000 2.414 218 A HA 0.904 5.228 4.320 0.007 0.000 0.306 218 A C -0.882 176.704 177.584 0.003 0.000 1.054 218 A CA -0.827 51.198 52.037 -0.021 0.000 0.724 218 A CB 1.130 20.140 19.000 0.016 0.000 1.267 218 A HN 0.670 nan 8.150 nan 0.000 0.418 219 R N 0.916 121.443 120.500 0.045 0.000 2.781 219 R HA 0.814 5.158 4.340 0.007 0.000 0.269 219 R C -1.807 174.568 176.300 0.126 0.000 1.025 219 R CA -0.925 55.245 56.100 0.115 0.000 0.914 219 R CB 0.969 31.294 30.300 0.042 0.000 1.236 219 R HN 0.462 nan 8.270 nan 0.000 0.465 220 L N 1.672 122.980 121.223 0.142 0.000 2.309 220 L HA 0.693 5.037 4.340 0.007 0.000 0.282 220 L C -0.075 176.809 176.870 0.023 0.000 1.036 220 L CA -1.103 53.754 54.840 0.028 0.000 0.806 220 L CB 1.747 43.751 42.059 -0.091 0.000 1.220 220 L HN 0.599 nan 8.230 nan 0.000 0.429 221 V N -0.940 118.988 119.914 0.024 0.000 3.102 221 V HA 0.710 4.834 4.120 0.007 0.000 0.312 221 V C -0.366 175.736 176.094 0.013 0.000 1.135 221 V CA -0.522 61.799 62.300 0.034 0.000 1.022 221 V CB 2.062 33.934 31.823 0.080 0.000 1.056 221 V HN 0.675 nan 8.190 nan 0.000 0.436 222 T N 1.699 116.252 114.554 -0.001 0.000 2.792 222 T HA 0.704 5.059 4.350 0.007 0.000 0.280 222 T C -0.574 174.085 174.700 -0.068 0.000 0.990 222 T CA -0.356 61.724 62.100 -0.034 0.000 0.960 222 T CB 1.402 70.253 68.868 -0.029 0.000 0.939 222 T HN 0.753 nan 8.240 nan 0.000 0.439 223 V N 3.182 123.010 119.914 -0.144 0.000 2.495 223 V HA 0.397 4.521 4.120 0.007 0.000 0.298 223 V C -0.195 175.734 176.094 -0.275 0.000 1.031 223 V CA -0.948 61.202 62.300 -0.250 0.000 0.871 223 V CB 1.909 33.458 31.823 -0.457 0.000 0.988 223 V HN 0.820 nan 8.190 nan 0.000 0.432 224 D N 6.869 127.130 120.400 -0.231 0.000 2.313 224 D HA 0.284 4.928 4.640 0.007 0.000 0.239 224 D C -1.495 174.668 176.300 -0.228 0.000 1.142 224 D CA -1.902 51.995 54.000 -0.171 0.000 0.847 224 D CB 2.478 43.228 40.800 -0.082 0.000 1.082 224 D HN 0.262 nan 8.370 nan 0.000 0.480 225 P HA -0.084 nan 4.420 nan 0.000 0.226 225 P C 1.287 178.665 177.300 0.130 0.000 1.153 225 P CA 0.441 63.491 63.100 -0.083 0.000 0.777 225 P CB 0.679 32.360 31.700 -0.031 0.000 0.794 226 R N 1.092 121.626 120.500 0.057 0.000 2.057 226 R HA -0.074 4.270 4.340 0.007 0.000 0.229 226 R C 0.188 176.551 176.300 0.104 0.000 1.136 226 R CA 1.676 57.820 56.100 0.073 0.000 0.952 226 R CB -0.210 30.109 30.300 0.032 0.000 0.848 226 R HN 0.266 nan 8.270 nan 0.000 0.430 227 D N -2.553 117.901 120.400 0.091 0.000 2.457 227 D HA 0.215 4.860 4.640 0.007 0.000 0.240 227 D C 0.197 176.586 176.300 0.150 0.000 1.041 227 D CA -0.809 53.256 54.000 0.108 0.000 0.861 227 D CB 1.414 42.250 40.800 0.060 0.000 1.394 227 D HN 0.104 nan 8.370 nan 0.000 0.473 228 G N 0.426 109.360 108.800 0.223 0.000 3.229 228 G HA2 0.090 4.055 3.960 0.007 0.000 0.214 228 G HA3 0.090 4.055 3.960 0.007 0.000 0.214 228 G C 0.448 175.421 174.900 0.122 0.000 1.256 228 G CA 0.098 45.372 45.100 0.290 0.000 1.042 228 G HN 0.637 nan 8.290 nan 0.000 0.497 229 S N -0.691 115.039 115.700 0.051 0.000 2.560 229 S HA 0.423 4.898 4.470 0.007 0.000 0.284 229 S C -0.217 174.380 174.600 -0.006 0.000 1.327 229 S CA -0.542 57.672 58.200 0.024 0.000 1.055 229 S CB 1.958 65.164 63.200 0.010 0.000 0.868 229 S HN 0.142 nan 8.310 nan 0.000 0.506 230 V N 2.997 122.923 119.914 0.020 0.000 2.638 230 V HA 0.582 4.706 4.120 0.007 0.000 0.306 230 V C -0.395 175.711 176.094 0.020 0.000 1.052 230 V CA -0.693 61.620 62.300 0.023 0.000 0.885 230 V CB 1.632 33.501 31.823 0.077 0.000 0.999 230 V HN 1.021 nan 8.190 nan 0.000 0.424 231 E N 1.774 121.981 120.200 0.011 0.000 2.314 231 E HA 0.401 4.755 4.350 0.007 0.000 0.272 231 E C -1.652 174.955 176.600 0.011 0.000 0.884 231 E CA -1.007 55.398 56.400 0.009 0.000 0.753 231 E CB 2.373 32.073 29.700 0.000 0.000 1.213 231 E HN 0.627 nan 8.360 nan 0.000 0.432 232 D N 1.758 122.165 120.400 0.012 0.000 2.414 232 D HA 0.054 4.698 4.640 0.007 0.000 0.242 232 D C -0.460 175.846 176.300 0.010 0.000 1.129 232 D CA 0.001 54.009 54.000 0.014 0.000 0.885 232 D CB 0.790 41.598 40.800 0.013 0.000 1.198 232 D HN 0.124 nan 8.370 nan 0.000 0.437 233 L N 2.100 123.329 121.223 0.009 0.000 2.289 233 L HA 0.280 4.625 4.340 0.007 0.000 0.285 233 L C -0.227 176.646 176.870 0.005 0.000 1.049 233 L CA -0.288 54.551 54.840 -0.002 0.000 0.804 233 L CB 0.676 42.722 42.059 -0.022 0.000 1.195 233 L HN 0.360 nan 8.230 nan 0.000 0.428 234 E N 5.752 125.954 120.200 0.005 0.000 2.166 234 E HA 0.479 4.833 4.350 0.007 0.000 0.275 234 E C -0.949 175.654 176.600 0.004 0.000 0.941 234 E CA -0.656 55.752 56.400 0.013 0.000 0.784 234 E CB 2.428 32.135 29.700 0.012 0.000 1.115 234 E HN 0.541 nan 8.360 nan 0.000 0.399 235 L N 3.851 125.079 121.223 0.009 0.000 2.352 235 L HA 0.327 4.671 4.340 0.007 0.000 0.269 235 L C -1.131 175.748 176.870 0.016 0.000 1.034 235 L CA -1.821 53.018 54.840 -0.002 0.000 0.806 235 L CB 0.990 43.034 42.059 -0.025 0.000 1.244 235 L HN 0.455 nan 8.230 nan 0.000 0.447 236 P HA -0.113 nan 4.420 nan 0.000 0.216 236 P C 0.517 177.836 177.300 0.032 0.000 1.150 236 P CA 0.852 63.965 63.100 0.021 0.000 0.837 236 P CB 0.315 32.026 31.700 0.019 0.000 0.786 237 S N -0.614 115.113 115.700 0.045 0.000 2.525 237 S HA 0.312 4.786 4.470 0.007 0.000 0.290 237 S C 0.846 175.492 174.600 0.077 0.000 1.152 237 S CA -0.709 57.529 58.200 0.064 0.000 1.072 237 S CB 0.790 64.040 63.200 0.085 0.000 1.027 237 S HN -0.189 nan 8.310 nan 0.000 0.500 238 K N 2.592 123.037 120.400 0.074 0.000 2.387 238 K HA 0.133 4.457 4.320 0.007 0.000 0.198 238 K C 0.524 177.173 176.600 0.083 0.000 1.022 238 K CA 0.081 56.410 56.287 0.069 0.000 1.128 238 K CB -0.165 32.362 32.500 0.044 0.000 0.853 238 K HN 0.591 nan 8.250 nan 0.000 0.523 239 D N 0.931 121.415 120.400 0.140 0.000 2.116 239 D HA -0.203 4.441 4.640 0.007 0.000 0.193 239 D C 1.578 177.948 176.300 0.116 0.000 0.998 239 D CA 0.978 55.108 54.000 0.217 0.000 0.836 239 D CB -0.247 40.778 40.800 0.376 0.000 0.951 239 D HN 0.162 nan 8.370 nan 0.000 0.449 240 F N 2.232 122.002 119.950 -0.299 0.000 2.069 240 F HA -0.268 4.264 4.527 0.008 0.000 0.298 240 F C 2.502 178.104 175.800 -0.330 0.000 1.113 240 F CA 2.267 59.761 58.000 -0.845 0.000 1.214 240 F CB -0.550 37.988 39.000 -0.771 0.000 0.978 240 F HN -0.013 nan 8.300 nan 0.000 0.474 241 S N -0.490 115.033 115.700 -0.295 0.000 2.423 241 S HA -0.167 4.307 4.470 0.007 0.000 0.231 241 S C 2.084 176.554 174.600 -0.216 0.000 1.014 241 S CA 1.017 59.032 58.200 -0.309 0.000 0.965 241 S CB -1.224 61.928 63.200 -0.081 0.000 0.785 241 S HN 0.559 nan 8.310 nan 0.000 0.495 242 S N 0.217 115.856 115.700 -0.100 0.000 2.470 242 S HA 0.006 4.480 4.470 0.007 0.000 0.225 242 S C 1.621 176.216 174.600 -0.009 0.000 1.006 242 S CA 0.261 58.438 58.200 -0.038 0.000 0.934 242 S CB -0.917 62.296 63.200 0.021 0.000 0.778 242 S HN 0.577 nan 8.310 nan 0.000 0.517 243 Y N 2.880 123.090 120.300 -0.150 0.000 2.352 243 Y HA 0.125 4.679 4.550 0.007 0.000 0.292 243 Y C 0.743 176.554 175.900 -0.147 0.000 1.136 243 Y CA 0.871 58.926 58.100 -0.075 0.000 1.227 243 Y CB -0.405 38.066 38.460 0.018 0.000 0.991 243 Y HN 0.175 nan 8.280 nan 0.000 0.545 244 R N 0.392 120.726 120.500 -0.276 0.000 3.146 244 R HA -0.156 4.188 4.340 0.007 0.000 0.250 244 R C -2.613 173.461 176.300 -0.377 0.000 0.912 244 R CA 0.310 56.217 56.100 -0.323 0.000 0.633 244 R CB -1.901 28.254 30.300 -0.241 0.000 1.180 244 R HN 0.349 nan 8.270 nan 0.000 0.464 245 P HA 0.007 nan 4.420 nan 0.000 0.269 245 P C 0.230 177.453 177.300 -0.128 0.000 1.215 245 P CA 0.129 63.142 63.100 -0.145 0.000 0.780 245 P CB 0.898 32.635 31.700 0.061 0.000 0.898 246 T N -0.552 113.946 114.554 -0.093 0.000 3.014 246 T HA 0.407 4.761 4.350 0.007 0.000 0.250 246 T C 0.563 175.234 174.700 -0.049 0.000 1.060 246 T CA 0.449 62.498 62.100 -0.086 0.000 1.040 246 T CB 0.203 68.996 68.868 -0.124 0.000 0.971 246 T HN 0.716 nan 8.240 nan 0.000 0.497 247 A N 0.764 123.577 122.820 -0.011 0.000 2.604 247 A HA 0.755 5.079 4.320 0.007 0.000 0.295 247 A C -1.802 175.836 177.584 0.090 0.000 1.067 247 A CA -0.745 51.302 52.037 0.017 0.000 0.683 247 A CB 1.051 20.041 19.000 -0.017 0.000 1.281 247 A HN 0.276 nan 8.150 nan 0.000 0.407 248 I N 1.764 122.388 120.570 0.090 0.000 2.355 248 I HA 0.278 4.452 4.170 0.007 0.000 0.288 248 I C 1.066 177.252 176.117 0.116 0.000 0.999 248 I CA -0.394 60.986 61.300 0.133 0.000 1.163 248 I CB 2.109 40.173 38.000 0.108 0.000 1.316 248 I HN 0.802 nan 8.210 nan 0.000 0.454 249 T N 4.388 119.042 114.554 0.166 0.000 2.770 249 T HA -0.082 4.272 4.350 0.007 0.000 0.263 249 T C -0.215 174.645 174.700 0.268 0.000 1.039 249 T CA 1.249 63.459 62.100 0.183 0.000 1.142 249 T CB 0.058 69.045 68.868 0.199 0.000 0.868 249 T HN 0.664 nan 8.240 nan 0.000 0.435 250 W N 0.771 122.095 121.300 0.041 0.000 3.153 250 W HA 0.461 5.125 4.660 0.006 0.000 0.316 250 W C -2.652 173.866 176.519 -0.001 0.000 1.255 250 W CA -1.387 55.970 57.345 0.019 0.000 1.192 250 W CB 0.856 30.334 29.460 0.029 0.000 1.400 250 W HN 0.096 nan 8.180 nan 0.000 0.568 251 L N 2.491 122.995 121.223 -1.199 0.000 2.582 251 L HA 1.098 5.443 4.340 0.007 0.000 0.257 251 L C -0.625 175.150 176.870 -1.825 0.000 0.974 251 L CA -0.632 53.448 54.840 -1.266 0.000 0.851 251 L CB 1.557 43.239 42.059 -0.628 0.000 1.424 251 L HN 0.929 nan 8.230 nan 0.000 0.412 252 G N 0.001 107.978 108.800 -1.371 0.000 2.616 252 G HA2 0.481 4.445 3.960 0.007 0.000 0.294 252 G HA3 0.481 4.445 3.960 0.007 0.000 0.294 252 G C -2.228 172.437 174.900 -0.391 0.000 1.489 252 G CA -0.684 43.964 45.100 -0.754 0.000 0.836 252 G HN 0.576 nan 8.290 nan 0.000 0.527 253 Y N 0.945 121.188 120.300 -0.094 0.000 2.359 253 Y HA 0.424 4.978 4.550 0.007 0.000 0.334 253 Y C 1.337 177.234 175.900 -0.006 0.000 1.058 253 Y CA -0.277 57.790 58.100 -0.054 0.000 1.244 253 Y CB 0.964 39.378 38.460 -0.077 0.000 1.187 253 Y HN 0.272 nan 8.280 nan 0.000 0.510 254 L N 6.096 127.385 121.223 0.111 0.000 2.466 254 L HA 0.154 4.498 4.340 0.007 0.000 0.257 254 L C -1.052 175.745 176.870 -0.122 0.000 1.189 254 L CA -1.769 53.075 54.840 0.007 0.000 0.813 254 L CB 0.573 42.651 42.059 0.032 0.000 1.118 254 L HN 0.484 nan 8.230 nan 0.000 0.471 255 P HA -0.164 nan 4.420 nan 0.000 0.222 255 P C 0.358 177.567 177.300 -0.152 0.000 1.147 255 P CA 1.119 64.023 63.100 -0.328 0.000 0.790 255 P CB -0.043 31.354 31.700 -0.505 0.000 0.780 256 D N -1.791 118.550 120.400 -0.098 0.000 2.340 256 D HA 0.148 4.792 4.640 0.007 0.000 0.220 256 D C 1.494 177.781 176.300 -0.022 0.000 1.039 256 D CA 0.513 54.483 54.000 -0.050 0.000 0.866 256 D CB -0.693 40.089 40.800 -0.029 0.000 0.913 256 D HN 0.241 nan 8.370 nan 0.000 0.523 257 G N 0.060 108.857 108.800 -0.004 0.000 2.217 257 G HA2 -0.316 3.648 3.960 0.007 0.000 0.246 257 G HA3 -0.316 3.648 3.960 0.007 0.000 0.246 257 G C 0.371 175.350 174.900 0.132 0.000 0.990 257 G CA -0.146 44.980 45.100 0.043 0.000 0.627 257 G HN 0.434 nan 8.290 nan 0.000 0.522 258 R N -0.264 120.285 120.500 0.082 0.000 2.594 258 R HA 0.504 4.848 4.340 0.007 0.000 0.272 258 R C -0.091 176.230 176.300 0.035 0.000 1.074 258 R CA -0.435 55.703 56.100 0.063 0.000 1.105 258 R CB 0.875 31.194 30.300 0.031 0.000 1.008 258 R HN 0.263 nan 8.270 nan 0.000 0.472 259 L N 2.119 123.299 121.223 -0.070 0.000 2.265 259 L HA 0.403 4.747 4.340 0.007 0.000 0.289 259 L C -0.668 176.078 176.870 -0.207 0.000 1.033 259 L CA 0.030 54.675 54.840 -0.324 0.000 0.814 259 L CB 1.162 42.952 42.059 -0.449 0.000 1.203 259 L HN 0.721 nan 8.230 nan 0.000 0.423 260 A N 5.141 127.861 122.820 -0.168 0.000 2.301 260 A HA 0.783 5.107 4.320 0.007 0.000 0.312 260 A C -0.960 176.581 177.584 -0.070 0.000 1.182 260 A CA -0.474 51.568 52.037 0.008 0.000 0.826 260 A CB 1.015 20.163 19.000 0.246 0.000 1.134 260 A HN 0.566 nan 8.150 nan 0.000 0.501 261 V N 2.612 122.549 119.914 0.037 0.000 2.760 261 V HA 0.453 4.577 4.120 0.007 0.000 0.309 261 V C -0.709 175.544 176.094 0.265 0.000 1.077 261 V CA -0.531 61.780 62.300 0.018 0.000 0.910 261 V CB 1.956 33.637 31.823 -0.238 0.000 1.008 261 V HN 0.653 nan 8.190 nan 0.000 0.424 262 V N 3.740 123.846 119.914 0.321 0.000 2.350 262 V HA 0.874 4.998 4.120 0.007 0.000 0.285 262 V C 0.262 176.558 176.094 0.336 0.000 1.014 262 V CA -0.180 62.329 62.300 0.349 0.000 0.831 262 V CB 1.354 33.397 31.823 0.366 0.000 1.000 262 V HN 1.063 nan 8.190 nan 0.000 0.433 263 A N 5.997 129.059 122.820 0.403 0.000 2.387 263 A HA 1.083 5.407 4.320 0.007 0.000 0.303 263 A C -0.383 177.447 177.584 0.411 0.000 1.145 263 A CA -0.860 51.423 52.037 0.410 0.000 0.801 263 A CB 2.028 21.365 19.000 0.562 0.000 1.342 263 A HN 0.941 nan 8.150 nan 0.000 0.440 264 R N -0.459 120.265 120.500 0.372 0.000 2.752 264 R HA 0.842 5.186 4.340 0.007 0.000 0.271 264 R C -1.232 175.167 176.300 0.164 0.000 1.026 264 R CA -0.978 55.316 56.100 0.325 0.000 0.901 264 R CB 1.523 31.921 30.300 0.164 0.000 1.243 264 R HN 1.009 nan 8.270 nan 0.000 0.463 265 R N 0.018 120.565 120.500 0.078 0.000 2.604 265 R HA 0.255 4.600 4.340 0.007 0.000 0.261 265 R C -1.158 175.125 176.300 -0.028 0.000 1.080 265 R CA -0.849 55.200 56.100 -0.085 0.000 0.917 265 R CB 1.387 31.567 30.300 -0.200 0.000 1.252 265 R HN 0.888 nan 8.270 nan 0.000 0.456 266 E N 0.875 121.021 120.200 -0.090 0.000 2.440 266 E HA -0.279 4.075 4.350 0.007 0.000 0.246 266 E C 0.534 177.267 176.600 0.221 0.000 1.165 266 E CA 1.071 57.554 56.400 0.138 0.000 0.726 266 E CB -1.355 28.491 29.700 0.242 0.000 1.271 266 E HN 1.191 nan 8.360 nan 0.000 0.397 267 G N -0.068 108.802 108.800 0.116 0.000 2.148 267 G HA2 -0.356 3.609 3.960 0.007 0.000 0.254 267 G HA3 -0.356 3.609 3.960 0.007 0.000 0.254 267 G C 0.093 175.067 174.900 0.123 0.000 0.981 267 G CA 0.594 45.815 45.100 0.201 0.000 0.670 267 G HN 0.291 nan 8.290 nan 0.000 0.528 268 R N -0.172 120.408 120.500 0.133 0.000 2.651 268 R HA 0.617 4.961 4.340 0.007 0.000 0.278 268 R C 0.059 176.465 176.300 0.176 0.000 1.010 268 R CA -0.006 56.169 56.100 0.125 0.000 0.896 268 R CB 1.913 32.316 30.300 0.171 0.000 1.211 268 R HN 0.414 nan 8.270 nan 0.000 0.456 269 S N 0.780 116.564 115.700 0.140 0.000 2.747 269 S HA 0.907 5.382 4.470 0.007 0.000 0.300 269 S C -0.579 174.185 174.600 0.272 0.000 1.121 269 S CA -0.793 57.549 58.200 0.236 0.000 0.995 269 S CB 2.173 65.494 63.200 0.202 0.000 1.113 269 S HN 0.681 nan 8.310 nan 0.000 0.547 270 A N 0.439 123.352 122.820 0.155 0.000 2.515 270 A HA 0.711 5.035 4.320 0.007 0.000 0.298 270 A C -1.080 176.345 177.584 -0.266 0.000 1.059 270 A CA -0.776 51.148 52.037 -0.188 0.000 0.698 270 A CB 1.470 20.073 19.000 -0.660 0.000 1.289 270 A HN 0.874 nan 8.150 nan 0.000 0.404 271 V N 1.529 121.128 119.914 -0.525 0.000 2.472 271 V HA 0.659 4.783 4.120 0.007 0.000 0.290 271 V C -0.993 174.694 176.094 -0.679 0.000 1.037 271 V CA -0.081 61.987 62.300 -0.387 0.000 0.908 271 V CB 0.704 32.340 31.823 -0.312 0.000 0.985 271 V HN 0.668 nan 8.190 nan 0.000 0.454 272 F N 4.284 124.217 119.950 -0.028 0.000 2.565 272 F HA 0.634 5.165 4.527 0.007 0.000 0.313 272 F C -0.339 175.434 175.800 -0.045 0.000 1.091 272 F CA -0.823 57.160 58.000 -0.028 0.000 0.915 272 F CB 1.901 40.903 39.000 0.003 0.000 1.208 272 F HN 0.139 nan 8.300 nan 0.000 0.453 273 I N 2.864 123.511 120.570 0.129 0.000 2.411 273 I HA 0.228 4.402 4.170 0.007 0.000 0.284 273 I C -0.387 175.757 176.117 0.046 0.000 1.012 273 I CA -0.597 60.737 61.300 0.056 0.000 1.119 273 I CB 1.177 39.198 38.000 0.035 0.000 1.261 273 I HN 0.634 nan 8.210 nan 0.000 0.448 274 D N 5.493 125.890 120.400 -0.005 0.000 2.751 274 D HA -0.195 4.449 4.640 0.007 0.000 0.233 274 D C 1.313 177.620 176.300 0.012 0.000 1.149 274 D CA 1.649 55.640 54.000 -0.015 0.000 0.682 274 D CB -0.780 40.025 40.800 0.008 0.000 1.068 274 D HN 1.125 nan 8.370 nan 0.000 0.429 275 G N -0.264 108.548 108.800 0.021 0.000 2.225 275 G HA2 -0.357 3.607 3.960 0.007 0.000 0.254 275 G HA3 -0.357 3.607 3.960 0.007 0.000 0.254 275 G C 0.149 175.199 174.900 0.249 0.000 0.988 275 G CA 0.497 45.647 45.100 0.083 0.000 0.625 275 G HN 0.586 nan 8.290 nan 0.000 0.527 276 E N 0.417 120.753 120.200 0.226 0.000 2.249 276 E HA 0.574 4.928 4.350 0.007 0.000 0.280 276 E C 0.574 177.307 176.600 0.221 0.000 1.016 276 E CA -1.040 55.491 56.400 0.218 0.000 0.830 276 E CB 0.554 30.315 29.700 0.103 0.000 1.081 276 E HN 0.222 nan 8.360 nan 0.000 0.395 277 R N 2.800 123.396 120.500 0.161 0.000 2.522 277 R HA 0.122 4.467 4.340 0.007 0.000 0.284 277 R C -1.415 174.766 176.300 -0.199 0.000 1.032 277 R CA 0.077 56.052 56.100 -0.209 0.000 1.049 277 R CB 0.495 30.708 30.300 -0.144 0.000 0.956 277 R HN 0.244 nan 8.270 nan 0.000 0.422 278 V N 5.296 125.023 119.914 -0.313 0.000 2.409 278 V HA 0.233 4.358 4.120 0.007 0.000 0.291 278 V C 0.042 175.988 176.094 -0.247 0.000 1.020 278 V CA -0.788 61.388 62.300 -0.207 0.000 0.848 278 V CB 1.536 33.256 31.823 -0.171 0.000 0.990 278 V HN 0.830 nan 8.190 nan 0.000 0.430 279 E N 2.782 122.879 120.200 -0.171 0.000 2.413 279 E HA 0.481 4.835 4.350 0.007 0.000 0.263 279 E C -0.010 176.476 176.600 -0.191 0.000 1.015 279 E CA 0.216 56.522 56.400 -0.157 0.000 0.916 279 E CB 0.983 30.625 29.700 -0.097 0.000 0.947 279 E HN 0.862 nan 8.360 nan 0.000 0.440 280 A N 3.783 126.486 122.820 -0.195 0.000 2.606 280 A HA 0.542 4.867 4.320 0.007 0.000 0.293 280 A C -2.656 174.857 177.584 -0.118 0.000 1.082 280 A CA -1.415 50.475 52.037 -0.245 0.000 0.685 280 A CB 1.002 19.654 19.000 -0.581 0.000 1.284 280 A HN 0.379 nan 8.150 nan 0.000 0.408 281 P HA 0.146 nan 4.420 nan 0.000 0.267 281 P C -0.499 176.823 177.300 0.036 0.000 1.200 281 P CA -0.018 62.943 63.100 -0.232 0.000 0.772 281 P CB 0.395 31.603 31.700 -0.819 0.000 0.855 282 Q N 1.326 121.187 119.800 0.101 0.000 2.289 282 Q HA 0.379 4.724 4.340 0.007 0.000 0.273 282 Q C 0.501 176.672 176.000 0.285 0.000 1.029 282 Q CA 0.816 56.730 55.803 0.184 0.000 0.896 282 Q CB -0.128 28.694 28.738 0.139 0.000 1.182 282 Q HN 0.760 nan 8.270 nan 0.000 0.385 283 G N 3.641 112.535 108.800 0.156 0.000 2.384 283 G HA2 -0.074 3.891 3.960 0.007 0.000 0.150 283 G HA3 -0.074 3.891 3.960 0.007 0.000 0.150 283 G C -1.369 173.410 174.900 -0.202 0.000 1.269 283 G CA -0.749 44.361 45.100 0.017 0.000 1.094 283 G HN 0.613 nan 8.290 nan 0.000 0.467 284 N N 0.568 119.057 118.700 -0.352 0.000 2.240 284 N HA 0.582 5.326 4.740 0.007 0.000 0.302 284 N C -1.425 173.752 175.510 -0.555 0.000 1.106 284 N CA -0.529 52.267 53.050 -0.424 0.000 0.778 284 N CB 1.668 40.046 38.487 -0.182 0.000 1.431 284 N HN 0.566 nan 8.380 nan 0.000 0.479 285 H N -0.563 118.547 119.070 0.066 0.000 2.731 285 H HA 0.497 5.057 4.556 0.007 0.000 0.368 285 H C 0.438 175.763 175.328 -0.005 0.000 1.168 285 H CA -0.643 55.428 56.048 0.038 0.000 1.181 285 H CB 1.850 31.633 29.762 0.034 0.000 1.743 285 H HN 0.660 nan 8.280 nan 0.000 0.547 286 G N 0.223 109.050 108.800 0.044 0.000 2.945 286 G HA2 0.264 4.228 3.960 0.007 0.000 0.156 286 G HA3 0.264 4.228 3.960 0.007 0.000 0.156 286 G C -0.054 174.668 174.900 -0.297 0.000 1.375 286 G CA -0.908 44.134 45.100 -0.097 0.000 1.039 286 G HN 0.637 nan 8.290 nan 0.000 0.586 287 R N -1.208 118.887 120.500 -0.674 0.000 2.784 287 R HA 0.386 4.731 4.340 0.007 0.000 0.266 287 R C -1.171 174.623 176.300 -0.844 0.000 1.044 287 R CA -0.297 54.902 56.100 -1.502 0.000 1.151 287 R CB 0.611 29.947 30.300 -1.607 0.000 1.037 287 R HN 0.118 nan 8.270 nan 0.000 0.478 288 V N 3.021 122.403 119.914 -0.886 0.000 2.448 288 V HA 0.384 4.508 4.120 0.007 0.000 0.295 288 V C 0.044 176.118 176.094 -0.034 0.000 1.025 288 V CA -0.694 61.471 62.300 -0.225 0.000 0.859 288 V CB 1.431 33.279 31.823 0.042 0.000 0.988 288 V HN 0.727 nan 8.190 nan 0.000 0.431 289 V N 3.449 123.383 119.914 0.032 0.000 2.960 289 V HA 0.671 4.795 4.120 0.007 0.000 0.315 289 V C -0.832 175.412 176.094 0.250 0.000 1.087 289 V CA -0.982 61.437 62.300 0.199 0.000 0.982 289 V CB 2.299 34.174 31.823 0.088 0.000 1.039 289 V HN 0.634 nan 8.190 nan 0.000 0.437 290 L N 3.412 124.859 121.223 0.372 0.000 2.264 290 L HA 0.599 4.943 4.340 0.007 0.000 0.289 290 L C -1.525 175.592 176.870 0.412 0.000 1.044 290 L CA -0.014 55.002 54.840 0.294 0.000 0.807 290 L CB 1.111 43.282 42.059 0.186 0.000 1.192 290 L HN 1.087 nan 8.230 nan 0.000 0.425 291 W N 7.050 128.420 121.300 0.117 0.000 2.830 291 W HA 0.452 5.116 4.660 0.006 0.000 0.335 291 W C 0.157 176.716 176.519 0.066 0.000 1.043 291 W CA -0.778 56.628 57.345 0.101 0.000 1.239 291 W CB 0.759 30.267 29.460 0.080 0.000 1.378 291 W HN 0.704 nan 8.180 nan 0.000 0.456 292 R N 4.867 125.127 120.500 -0.401 0.000 3.251 292 R HA -0.208 4.136 4.340 0.007 0.000 0.249 292 R C 1.210 177.366 176.300 -0.240 0.000 0.949 292 R CA 1.355 57.164 56.100 -0.485 0.000 0.645 292 R CB -1.603 28.119 30.300 -0.962 0.000 1.065 292 R HN 1.462 nan 8.270 nan 0.000 0.452 293 G N -0.646 108.098 108.800 -0.094 0.000 2.302 293 G HA2 -0.416 3.548 3.960 0.007 0.000 0.263 293 G HA3 -0.416 3.548 3.960 0.007 0.000 0.263 293 G C 0.245 175.145 174.900 -0.000 0.000 0.995 293 G CA 1.253 46.329 45.100 -0.041 0.000 0.622 293 G HN 0.452 nan 8.290 nan 0.000 0.538 294 K N -0.202 120.211 120.400 0.021 0.000 2.095 294 K HA 0.717 5.042 4.320 0.007 0.000 0.252 294 K C 0.238 176.922 176.600 0.139 0.000 0.977 294 K CA -0.847 55.485 56.287 0.075 0.000 0.900 294 K CB 1.417 33.972 32.500 0.093 0.000 1.060 294 K HN 0.132 nan 8.250 nan 0.000 0.449 295 L N 2.158 123.442 121.223 0.101 0.000 2.292 295 L HA 0.365 4.709 4.340 0.007 0.000 0.284 295 L C -0.645 176.278 176.870 0.088 0.000 1.065 295 L CA -0.780 54.115 54.840 0.092 0.000 0.806 295 L CB 1.159 43.241 42.059 0.038 0.000 1.175 295 L HN 0.268 nan 8.230 nan 0.000 0.431 296 V N 2.154 122.119 119.914 0.084 0.000 2.876 296 V HA 0.724 4.848 4.120 0.007 0.000 0.312 296 V C -0.155 175.912 176.094 -0.044 0.000 1.085 296 V CA -0.402 61.914 62.300 0.027 0.000 0.945 296 V CB 2.295 34.138 31.823 0.033 0.000 1.017 296 V HN 0.848 nan 8.190 nan 0.000 0.428 297 T N 1.272 115.784 114.554 -0.070 0.000 2.711 297 T HA 0.545 4.899 4.350 0.007 0.000 0.302 297 T C -0.752 173.919 174.700 -0.048 0.000 1.373 297 T CA 0.136 62.185 62.100 -0.086 0.000 1.000 297 T CB 1.930 70.755 68.868 -0.072 0.000 1.483 297 T HN 1.061 nan 8.240 nan 0.000 0.499 298 S N 1.015 116.700 115.700 -0.025 0.000 2.617 298 S HA 0.724 5.198 4.470 0.007 0.000 0.283 298 S C -0.837 173.850 174.600 0.145 0.000 1.189 298 S CA -0.426 57.784 58.200 0.016 0.000 1.036 298 S CB 1.154 64.337 63.200 -0.027 0.000 1.014 298 S HN 0.986 nan 8.310 nan 0.000 0.522 299 H N -0.391 118.690 119.070 0.019 0.000 2.865 299 H HA 0.677 5.237 4.556 0.007 0.000 0.362 299 H C -0.900 174.420 175.328 -0.014 0.000 1.114 299 H CA -0.085 55.983 56.048 0.034 0.000 1.208 299 H CB 1.953 31.766 29.762 0.085 0.000 1.727 299 H HN 0.865 nan 8.280 nan 0.000 0.534 300 T N 2.756 116.898 114.554 -0.687 0.000 2.843 300 T HA 0.710 5.065 4.350 0.007 0.000 0.302 300 T C -1.521 172.880 174.700 -0.499 0.000 1.232 300 T CA 0.047 61.840 62.100 -0.513 0.000 1.009 300 T CB 0.821 69.593 68.868 -0.160 0.000 1.254 300 T HN 1.030 nan 8.240 nan 0.000 0.504 301 S N 1.528 117.103 115.700 -0.207 0.000 2.587 301 S HA 0.410 4.884 4.470 0.007 0.000 0.269 301 S C 0.700 175.345 174.600 0.076 0.000 1.154 301 S CA -0.882 57.274 58.200 -0.073 0.000 0.824 301 S CB 0.504 63.692 63.200 -0.021 0.000 1.118 301 S HN 0.651 nan 8.310 nan 0.000 0.462 302 L N 1.523 122.765 121.223 0.031 0.000 2.351 302 L HA -0.080 4.264 4.340 0.007 0.000 0.220 302 L C 2.237 179.223 176.870 0.193 0.000 1.127 302 L CA 1.663 56.527 54.840 0.041 0.000 0.786 302 L CB -0.471 41.578 42.059 -0.017 0.000 0.914 302 L HN 0.927 nan 8.230 nan 0.000 0.443 303 S N -4.148 111.699 115.700 0.246 0.000 2.559 303 S HA 0.129 4.603 4.470 0.007 0.000 0.226 303 S C 0.594 175.363 174.600 0.283 0.000 1.000 303 S CA -0.453 57.934 58.200 0.312 0.000 0.948 303 S CB 0.467 63.777 63.200 0.183 0.000 0.870 303 S HN 0.133 nan 8.310 nan 0.000 0.497 304 T N 4.486 119.172 114.554 0.220 0.000 2.892 304 T HA 0.492 4.846 4.350 0.007 0.000 0.311 304 T C -3.067 171.509 174.700 -0.206 0.000 1.033 304 T CA -1.374 60.703 62.100 -0.037 0.000 0.991 304 T CB 1.695 70.535 68.868 -0.046 0.000 0.981 304 T HN -0.001 nan 8.240 nan 0.000 0.457 305 P HA 0.155 nan 4.420 nan 0.000 0.267 305 P C -2.522 174.556 177.300 -0.370 0.000 1.200 305 P CA -1.088 61.457 63.100 -0.926 0.000 0.772 305 P CB -0.322 30.724 31.700 -1.090 0.000 0.855 306 P HA -0.007 nan 4.420 nan 0.000 0.261 306 P C -0.279 176.999 177.300 -0.037 0.000 1.173 306 P CA 0.788 63.827 63.100 -0.103 0.000 0.760 306 P CB 0.274 31.945 31.700 -0.049 0.000 0.783 307 R N 2.301 122.800 120.500 -0.001 0.000 2.781 307 R HA 0.679 5.023 4.340 0.007 0.000 0.269 307 R C -1.246 175.044 176.300 -0.017 0.000 1.025 307 R CA -1.027 55.092 56.100 0.030 0.000 0.914 307 R CB 1.009 31.310 30.300 0.002 0.000 1.236 307 R HN 0.071 nan 8.270 nan 0.000 0.465 308 I N 2.346 122.837 120.570 -0.132 0.000 2.359 308 I HA 0.430 4.604 4.170 0.007 0.000 0.294 308 I C 0.262 176.288 176.117 -0.152 0.000 0.987 308 I CA -0.826 60.367 61.300 -0.178 0.000 1.225 308 I CB 1.267 39.056 38.000 -0.351 0.000 1.366 308 I HN 0.628 nan 8.210 nan 0.000 0.466 309 V N 2.578 122.440 119.914 -0.085 0.000 3.007 309 V HA 0.736 4.860 4.120 0.007 0.000 0.311 309 V C -0.228 175.840 176.094 -0.043 0.000 1.120 309 V CA -0.725 61.538 62.300 -0.061 0.000 0.980 309 V CB 1.878 33.676 31.823 -0.042 0.000 1.033 309 V HN 0.759 nan 8.190 nan 0.000 0.429 310 S N 2.868 118.558 115.700 -0.016 0.000 2.554 310 S HA 0.768 5.242 4.470 0.007 0.000 0.278 310 S C -0.584 174.005 174.600 -0.019 0.000 1.242 310 S CA -0.608 57.604 58.200 0.020 0.000 1.051 310 S CB 0.449 63.689 63.200 0.066 0.000 0.986 310 S HN 0.760 nan 8.310 nan 0.000 0.502 311 L N 5.133 126.344 121.223 -0.020 0.000 2.342 311 L HA 0.529 4.873 4.340 0.007 0.000 0.271 311 L C -1.401 175.448 176.870 -0.034 0.000 1.008 311 L CA -2.003 52.803 54.840 -0.057 0.000 0.818 311 L CB 2.152 44.155 42.059 -0.092 0.000 1.296 311 L HN 0.592 nan 8.230 nan 0.000 0.427 312 P HA -0.013 nan 4.420 nan 0.000 0.251 312 P C 1.178 178.441 177.300 -0.062 0.000 1.223 312 P CA 0.339 63.397 63.100 -0.070 0.000 0.796 312 P CB 0.503 32.164 31.700 -0.065 0.000 1.068 313 S N 0.402 116.077 115.700 -0.041 0.000 2.387 313 S HA -0.063 4.411 4.470 0.007 0.000 0.230 313 S C 1.939 176.509 174.600 -0.051 0.000 1.035 313 S CA 1.589 59.767 58.200 -0.036 0.000 1.014 313 S CB -1.786 61.404 63.200 -0.018 0.000 0.836 313 S HN 0.325 nan 8.310 nan 0.000 0.466 314 G N 0.568 109.329 108.800 -0.066 0.000 2.159 314 G HA2 -0.213 3.751 3.960 0.007 0.000 0.256 314 G HA3 -0.213 3.751 3.960 0.007 0.000 0.256 314 G C -0.247 174.617 174.900 -0.061 0.000 0.977 314 G CA 0.169 45.215 45.100 -0.090 0.000 0.652 314 G HN 0.548 nan 8.290 nan 0.000 0.531 315 E N 1.388 121.568 120.200 -0.034 0.000 2.417 315 E HA 0.266 4.620 4.350 0.007 0.000 0.261 315 E C -2.130 174.455 176.600 -0.025 0.000 1.000 315 E CA -1.477 54.912 56.400 -0.018 0.000 0.919 315 E CB 0.525 30.226 29.700 0.003 0.000 0.955 315 E HN 0.263 nan 8.360 nan 0.000 0.455 316 P HA 0.090 nan 4.420 nan 0.000 0.271 316 P C 0.346 177.594 177.300 -0.087 0.000 1.216 316 P CA 0.063 63.123 63.100 -0.066 0.000 0.776 316 P CB 0.687 32.352 31.700 -0.059 0.000 0.881 317 L N 1.734 122.849 121.223 -0.181 0.000 2.445 317 L HA 0.270 4.614 4.340 0.007 0.000 0.207 317 L C 0.175 176.738 176.870 -0.511 0.000 1.053 317 L CA 0.514 55.194 54.840 -0.267 0.000 0.841 317 L CB 0.086 41.927 42.059 -0.364 0.000 1.074 317 L HN 0.251 nan 8.230 nan 0.000 0.479 318 L N 1.320 122.200 121.223 -0.571 0.000 2.516 318 L HA 0.405 4.749 4.340 0.007 0.000 0.267 318 L C -0.922 175.653 176.870 -0.492 0.000 0.957 318 L CA -0.059 54.338 54.840 -0.738 0.000 0.860 318 L CB 1.629 42.919 42.059 -1.281 0.000 1.265 318 L HN 0.261 nan 8.230 nan 0.000 0.403 319 E N 1.469 121.509 120.200 -0.267 0.000 2.354 319 E HA 0.651 5.005 4.350 0.007 0.000 0.283 319 E C -0.694 175.920 176.600 0.023 0.000 0.938 319 E CA -0.907 55.465 56.400 -0.047 0.000 0.777 319 E CB 1.921 31.581 29.700 -0.068 0.000 1.222 319 E HN 0.519 nan 8.360 nan 0.000 0.423 320 G N 1.036 109.865 108.800 0.048 0.000 2.448 320 G HA2 0.545 4.509 3.960 0.007 0.000 0.285 320 G HA3 0.545 4.509 3.960 0.007 0.000 0.285 320 G C -0.055 174.789 174.900 -0.092 0.000 1.176 320 G CA -0.406 44.674 45.100 -0.033 0.000 0.852 320 G HN 0.550 nan 8.290 nan 0.000 0.530 321 G N 0.192 108.940 108.800 -0.086 0.000 2.335 321 G HA2 0.490 4.454 3.960 0.007 0.000 0.316 321 G HA3 0.490 4.454 3.960 0.007 0.000 0.316 321 G C -0.335 174.508 174.900 -0.095 0.000 1.129 321 G CA -0.658 44.393 45.100 -0.082 0.000 0.899 321 G HN 0.571 nan 8.290 nan 0.000 0.448 322 L N 3.543 124.707 121.223 -0.098 0.000 2.319 322 L HA 0.249 4.593 4.340 0.007 0.000 0.280 322 L C -1.691 175.161 176.870 -0.030 0.000 1.099 322 L CA -1.531 53.262 54.840 -0.078 0.000 0.828 322 L CB 1.610 43.624 42.059 -0.076 0.000 1.150 322 L HN 0.331 nan 8.230 nan 0.000 0.442 323 P HA -0.047 nan 4.420 nan 0.000 0.266 323 P C 0.341 177.648 177.300 0.013 0.000 1.195 323 P CA -0.043 63.056 63.100 -0.002 0.000 0.768 323 P CB 0.718 32.419 31.700 0.002 0.000 0.838 324 E N 2.932 123.139 120.200 0.012 0.000 2.070 324 E HA -0.275 4.079 4.350 0.007 0.000 0.197 324 E C 1.320 177.938 176.600 0.029 0.000 1.004 324 E CA 2.194 58.606 56.400 0.020 0.000 0.805 324 E CB -0.501 29.209 29.700 0.016 0.000 0.744 324 E HN 0.555 nan 8.360 nan 0.000 0.451 325 D N 0.113 120.529 120.400 0.027 0.000 2.149 325 D HA -0.210 4.434 4.640 0.007 0.000 0.198 325 D C 2.122 178.448 176.300 0.043 0.000 0.990 325 D CA 1.096 55.115 54.000 0.031 0.000 0.839 325 D CB -0.671 40.144 40.800 0.025 0.000 0.948 325 D HN 0.370 nan 8.370 nan 0.000 0.460 326 L N -0.535 120.718 121.223 0.050 0.000 2.109 326 L HA 0.001 4.345 4.340 0.007 0.000 0.207 326 L C 2.840 179.767 176.870 0.094 0.000 1.086 326 L CA 0.526 55.410 54.840 0.074 0.000 0.760 326 L CB -0.298 41.811 42.059 0.083 0.000 0.910 326 L HN -0.022 nan 8.230 nan 0.000 0.437 327 R N 0.707 121.256 120.500 0.081 0.000 2.091 327 R HA -0.153 4.192 4.340 0.007 0.000 0.238 327 R C 2.314 178.666 176.300 0.086 0.000 1.136 327 R CA 1.582 57.736 56.100 0.090 0.000 0.959 327 R CB -0.177 30.160 30.300 0.062 0.000 0.856 327 R HN 0.191 nan 8.270 nan 0.000 0.437 328 R N -0.251 120.289 120.500 0.067 0.000 2.189 328 R HA -0.035 4.309 4.340 0.007 0.000 0.223 328 R C 2.175 178.515 176.300 0.067 0.000 1.092 328 R CA 1.283 57.420 56.100 0.061 0.000 0.989 328 R CB -0.184 30.144 30.300 0.047 0.000 0.876 328 R HN 0.387 nan 8.270 nan 0.000 0.457 329 S N 0.545 116.287 115.700 0.070 0.000 2.469 329 S HA -0.060 4.415 4.470 0.007 0.000 0.238 329 S C 0.988 175.638 174.600 0.084 0.000 0.998 329 S CA 0.623 58.865 58.200 0.069 0.000 0.957 329 S CB -0.155 63.086 63.200 0.068 0.000 0.764 329 S HN 0.162 nan 8.310 nan 0.000 0.514 330 I N 1.854 122.482 120.570 0.096 0.000 2.287 330 I HA 0.334 4.508 4.170 0.007 0.000 0.290 330 I C 1.289 177.468 176.117 0.104 0.000 1.069 330 I CA -0.405 60.958 61.300 0.106 0.000 1.237 330 I CB 1.202 39.272 38.000 0.117 0.000 1.418 330 I HN 0.239 nan 8.210 nan 0.000 0.481 331 A N 5.189 128.076 122.820 0.110 0.000 1.929 331 A HA 0.422 4.747 4.320 0.007 0.000 0.216 331 A C 1.108 178.752 177.584 0.099 0.000 1.176 331 A CA 1.160 53.258 52.037 0.101 0.000 0.628 331 A CB -0.085 18.981 19.000 0.111 0.000 0.816 331 A HN 0.790 nan 8.150 nan 0.000 0.444 332 G N -2.404 106.462 108.800 0.110 0.000 2.322 332 G HA2 0.514 4.478 3.960 0.007 0.000 0.295 332 G HA3 0.514 4.478 3.960 0.007 0.000 0.295 332 G C -0.866 174.107 174.900 0.122 0.000 1.369 332 G CA 0.190 45.355 45.100 0.108 0.000 0.821 332 G HN 1.213 nan 8.290 nan 0.000 0.536 333 S N -1.170 114.608 115.700 0.130 0.000 2.579 333 S HA 0.933 5.407 4.470 0.007 0.000 0.272 333 S C -0.588 174.105 174.600 0.156 0.000 1.141 333 S CA -0.556 57.741 58.200 0.162 0.000 0.843 333 S CB 2.604 65.917 63.200 0.189 0.000 1.122 333 S HN 1.654 nan 8.310 nan 0.000 0.468 334 R N 0.024 120.610 120.500 0.144 0.000 2.716 334 R HA 0.761 5.105 4.340 0.007 0.000 0.271 334 R C -2.198 174.002 176.300 -0.166 0.000 1.028 334 R CA -1.145 54.980 56.100 0.040 0.000 0.883 334 R CB 0.837 31.160 30.300 0.039 0.000 1.250 334 R HN 0.602 nan 8.270 nan 0.000 0.465 335 L N 2.024 123.042 121.223 -0.340 0.000 2.313 335 L HA 0.637 4.981 4.340 0.007 0.000 0.283 335 L C -0.799 175.799 176.870 -0.453 0.000 1.013 335 L CA -0.527 53.903 54.840 -0.684 0.000 0.816 335 L CB 1.871 43.444 42.059 -0.810 0.000 1.236 335 L HN 0.643 nan 8.230 nan 0.000 0.419 336 V N 1.339 120.908 119.914 -0.574 0.000 2.960 336 V HA 0.699 4.823 4.120 0.007 0.000 0.315 336 V C -1.452 174.240 176.094 -0.671 0.000 1.087 336 V CA -0.772 61.244 62.300 -0.473 0.000 0.982 336 V CB 1.791 33.257 31.823 -0.595 0.000 1.039 336 V HN 0.811 nan 8.190 nan 0.000 0.437 337 W N 1.647 122.718 121.300 -0.381 0.000 2.336 337 W HA 0.720 5.384 4.660 0.007 0.000 0.315 337 W C -0.587 175.725 176.519 -0.346 0.000 1.016 337 W CA -0.666 56.475 57.345 -0.340 0.000 1.318 337 W CB 1.706 31.011 29.460 -0.258 0.000 1.247 337 W HN 0.515 nan 8.180 nan 0.000 0.414 338 V N 2.747 122.530 119.914 -0.219 0.000 2.432 338 V HA 0.147 4.272 4.120 0.007 0.000 0.275 338 V C 0.379 176.466 176.094 -0.012 0.000 1.043 338 V CA -1.083 61.110 62.300 -0.178 0.000 0.925 338 V CB 1.264 32.960 31.823 -0.213 0.000 0.985 338 V HN 0.487 nan 8.190 nan 0.000 0.466 339 E N 3.245 123.466 120.200 0.035 0.000 2.290 339 E HA 0.279 4.633 4.350 0.007 0.000 0.277 339 E C 0.089 176.745 176.600 0.093 0.000 1.035 339 E CA -0.047 56.385 56.400 0.053 0.000 0.873 339 E CB 0.910 30.640 29.700 0.050 0.000 1.029 339 E HN 0.741 nan 8.360 nan 0.000 0.419 340 S N 2.878 118.638 115.700 0.101 0.000 2.647 340 S HA 0.174 4.648 4.470 0.007 0.000 0.284 340 S C 0.921 175.594 174.600 0.122 0.000 1.134 340 S CA -0.405 57.897 58.200 0.171 0.000 1.027 340 S CB 0.168 63.527 63.200 0.265 0.000 1.180 340 S HN 0.598 nan 8.310 nan 0.000 0.521 341 F N 1.229 121.240 119.950 0.101 0.000 2.250 341 F HA 0.013 4.544 4.527 0.007 0.000 0.301 341 F C 1.324 177.168 175.800 0.073 0.000 1.077 341 F CA 1.501 59.546 58.000 0.076 0.000 1.348 341 F CB -0.410 38.628 39.000 0.064 0.000 1.040 341 F HN 0.489 nan 8.300 nan 0.000 0.509 342 D N -1.130 118.744 120.400 -0.876 0.000 2.402 342 D HA 0.264 4.908 4.640 0.007 0.000 0.216 342 D C 1.755 177.902 176.300 -0.255 0.000 1.128 342 D CA 0.323 53.966 54.000 -0.595 0.000 0.833 342 D CB 0.135 40.435 40.800 -0.834 0.000 0.971 342 D HN 0.481 nan 8.370 nan 0.000 0.503 343 G N -0.051 108.653 108.800 -0.160 0.000 2.217 343 G HA2 -0.277 3.688 3.960 0.007 0.000 0.246 343 G HA3 -0.277 3.688 3.960 0.007 0.000 0.246 343 G C 0.449 175.314 174.900 -0.058 0.000 0.990 343 G CA 0.148 45.203 45.100 -0.075 0.000 0.627 343 G HN 0.402 nan 8.290 nan 0.000 0.522 344 S N 1.199 116.867 115.700 -0.054 0.000 2.573 344 S HA 0.510 4.984 4.470 0.007 0.000 0.277 344 S C 0.568 175.156 174.600 -0.020 0.000 1.346 344 S CA -0.130 58.068 58.200 -0.004 0.000 1.034 344 S CB 0.778 64.102 63.200 0.205 0.000 0.879 344 S HN 0.398 nan 8.310 nan 0.000 0.528 345 R N 1.921 122.352 120.500 -0.115 0.000 2.229 345 R HA 0.333 4.677 4.340 0.007 0.000 0.332 345 R C -1.134 175.071 176.300 -0.157 0.000 0.989 345 R CA -0.466 55.608 56.100 -0.044 0.000 0.842 345 R CB 0.840 31.162 30.300 0.037 0.000 1.119 345 R HN 0.367 nan 8.270 nan 0.000 0.456 346 V N 6.383 126.247 119.914 -0.083 0.000 2.389 346 V HA 0.187 4.312 4.120 0.007 0.000 0.264 346 V C -1.992 173.860 176.094 -0.403 0.000 1.049 346 V CA -1.923 60.300 62.300 -0.128 0.000 0.932 346 V CB 1.132 33.013 31.823 0.096 0.000 1.011 346 V HN 0.486 nan 8.190 nan 0.000 0.475 347 P HA 0.214 nan 4.420 nan 0.000 0.270 347 P C -0.358 176.513 177.300 -0.715 0.000 1.242 347 P CA 0.280 62.610 63.100 -1.283 0.000 0.768 347 P CB 0.287 30.873 31.700 -1.857 0.000 0.820 348 T N 3.880 118.018 114.554 -0.693 0.000 2.847 348 T HA 0.324 4.678 4.350 0.007 0.000 0.291 348 T C -0.651 173.821 174.700 -0.379 0.000 0.998 348 T CA -0.264 61.602 62.100 -0.391 0.000 0.967 348 T CB 0.215 68.860 68.868 -0.371 0.000 0.954 348 T HN 0.111 nan 8.240 nan 0.000 0.441 349 Y N 1.880 122.091 120.300 -0.149 0.000 2.299 349 Y HA 0.500 5.054 4.550 0.007 0.000 0.326 349 Y C 0.266 176.155 175.900 -0.018 0.000 1.164 349 Y CA -0.325 57.727 58.100 -0.081 0.000 1.234 349 Y CB 1.014 39.456 38.460 -0.030 0.000 1.219 349 Y HN 0.312 nan 8.280 nan 0.000 0.497 350 V N 5.639 125.647 119.914 0.157 0.000 2.531 350 V HA 0.320 4.445 4.120 0.007 0.000 0.301 350 V C -0.790 175.417 176.094 0.189 0.000 1.034 350 V CA -1.055 61.349 62.300 0.174 0.000 0.865 350 V CB 1.821 33.746 31.823 0.170 0.000 0.995 350 V HN 0.588 nan 8.190 nan 0.000 0.424 351 L N 5.374 126.708 121.223 0.186 0.000 2.294 351 L HA 0.610 4.954 4.340 0.007 0.000 0.283 351 L C 0.285 177.277 176.870 0.203 0.000 1.015 351 L CA -0.340 54.600 54.840 0.166 0.000 0.831 351 L CB 1.358 43.491 42.059 0.123 0.000 1.217 351 L HN 0.930 nan 8.230 nan 0.000 0.420 352 E N 3.239 123.554 120.200 0.192 0.000 2.249 352 E HA 0.240 4.594 4.350 0.007 0.000 0.280 352 E C -0.743 176.052 176.600 0.325 0.000 1.016 352 E CA -0.610 55.960 56.400 0.283 0.000 0.830 352 E CB 1.742 31.508 29.700 0.110 0.000 1.081 352 E HN 0.472 nan 8.360 nan 0.000 0.395 353 S N 2.157 118.131 115.700 0.457 0.000 2.548 353 S HA 0.267 4.741 4.470 0.007 0.000 0.277 353 S C 0.961 175.648 174.600 0.145 0.000 1.315 353 S CA -0.062 58.242 58.200 0.174 0.000 1.050 353 S CB 0.758 63.951 63.200 -0.012 0.000 0.918 353 S HN 0.692 nan 8.310 nan 0.000 0.497 354 G N 3.435 112.293 108.800 0.097 0.000 3.088 354 G HA2 0.103 4.067 3.960 0.007 0.000 0.212 354 G HA3 0.103 4.067 3.960 0.007 0.000 0.212 354 G C 0.815 175.740 174.900 0.042 0.000 1.173 354 G CA -0.296 44.852 45.100 0.079 0.000 0.779 354 G HN 0.739 nan 8.290 nan 0.000 0.540 355 R N -0.269 120.237 120.500 0.009 0.000 2.629 355 R HA 0.515 4.859 4.340 0.007 0.000 0.386 355 R C -0.093 176.151 176.300 -0.093 0.000 1.071 355 R CA -0.035 56.046 56.100 -0.031 0.000 1.104 355 R CB 1.113 31.395 30.300 -0.031 0.000 1.370 355 R HN 0.200 nan 8.270 nan 0.000 0.574 356 A N 1.648 124.406 122.820 -0.104 0.000 2.449 356 A HA 0.651 4.975 4.320 0.007 0.000 0.302 356 A C -2.617 174.954 177.584 -0.021 0.000 1.048 356 A CA -1.531 50.392 52.037 -0.190 0.000 0.708 356 A CB 1.494 20.161 19.000 -0.554 0.000 1.274 356 A HN -0.081 nan 8.150 nan 0.000 0.410 357 P HA 0.504 nan 4.420 nan 0.000 0.279 357 P C -0.602 176.806 177.300 0.180 0.000 1.282 357 P CA -0.066 63.075 63.100 0.069 0.000 0.788 357 P CB 0.941 32.654 31.700 0.021 0.000 1.139 358 T N 1.639 116.264 114.554 0.119 0.000 2.847 358 T HA 0.370 4.724 4.350 0.007 0.000 0.291 358 T C -2.201 172.516 174.700 0.028 0.000 0.998 358 T CA -0.884 61.269 62.100 0.089 0.000 0.967 358 T CB 0.685 69.563 68.868 0.017 0.000 0.954 358 T HN 0.417 nan 8.240 nan 0.000 0.441 359 P HA 0.512 nan 4.420 nan 0.000 0.269 359 P C -0.151 177.207 177.300 0.097 0.000 1.209 359 P CA -0.178 62.945 63.100 0.038 0.000 0.776 359 P CB 0.982 32.680 31.700 -0.003 0.000 0.876 360 G N 1.276 110.187 108.800 0.184 0.000 2.725 360 G HA2 0.547 4.511 3.960 0.007 0.000 0.288 360 G HA3 0.547 4.511 3.960 0.007 0.000 0.288 360 G C -3.282 171.683 174.900 0.109 0.000 1.399 360 G CA -1.579 43.592 45.100 0.118 0.000 0.859 360 G HN 0.221 nan 8.290 nan 0.000 0.479 361 P HA 0.269 nan 4.420 nan 0.000 0.264 361 P C -0.421 177.061 177.300 0.303 0.000 1.193 361 P CA 0.520 63.700 63.100 0.134 0.000 0.763 361 P CB 0.909 32.528 31.700 -0.136 0.000 0.810 362 T N 2.565 117.385 114.554 0.444 0.000 2.886 362 T HA 0.443 4.797 4.350 0.007 0.000 0.292 362 T C -0.600 174.390 174.700 0.484 0.000 1.012 362 T CA -0.460 61.908 62.100 0.445 0.000 0.982 362 T CB 1.179 70.248 68.868 0.334 0.000 1.018 362 T HN -0.068 nan 8.240 nan 0.000 0.451 363 V N 3.052 123.198 119.914 0.387 0.000 2.448 363 V HA 0.398 4.523 4.120 0.007 0.000 0.295 363 V C -0.106 176.119 176.094 0.218 0.000 1.025 363 V CA -0.820 61.643 62.300 0.272 0.000 0.859 363 V CB 1.917 33.791 31.823 0.085 0.000 0.988 363 V HN 0.725 nan 8.190 nan 0.000 0.431 364 V N 6.393 126.421 119.914 0.190 0.000 2.372 364 V HA 0.259 4.383 4.120 0.007 0.000 0.261 364 V C -0.103 176.026 176.094 0.058 0.000 1.055 364 V CA -0.195 62.204 62.300 0.165 0.000 0.930 364 V CB 1.138 33.098 31.823 0.229 0.000 1.031 364 V HN 0.633 nan 8.190 nan 0.000 0.479 365 L N 8.031 129.306 121.223 0.086 0.000 2.272 365 L HA 0.478 4.822 4.340 0.007 0.000 0.284 365 L C -0.106 176.808 176.870 0.074 0.000 1.045 365 L CA 0.269 55.140 54.840 0.052 0.000 0.842 365 L CB 1.222 43.318 42.059 0.063 0.000 1.224 365 L HN 0.406 nan 8.230 nan 0.000 0.430 366 V N 5.504 125.445 119.914 0.044 0.000 2.488 366 V HA 0.195 4.319 4.120 0.007 0.000 0.277 366 V C 0.654 176.832 176.094 0.140 0.000 1.046 366 V CA -0.608 61.746 62.300 0.089 0.000 0.986 366 V CB 0.290 32.117 31.823 0.008 0.000 0.989 366 V HN 0.832 nan 8.190 nan 0.000 0.475 367 H N 3.114 122.343 119.070 0.264 0.000 2.679 367 H HA 0.492 5.052 4.556 0.007 0.000 0.369 367 H C 0.558 176.070 175.328 0.306 0.000 1.178 367 H CA -0.164 55.998 56.048 0.191 0.000 1.419 367 H CB 1.227 31.057 29.762 0.113 0.000 1.458 367 H HN 0.647 nan 8.280 nan 0.000 0.605 368 G N -0.678 108.387 108.800 0.442 0.000 2.504 368 G HA2 0.449 4.413 3.960 0.007 0.000 0.257 368 G HA3 0.449 4.413 3.960 0.007 0.000 0.257 368 G C 0.476 175.669 174.900 0.488 0.000 1.451 368 G CA -0.036 45.322 45.100 0.430 0.000 1.059 368 G HN 1.119 nan 8.290 nan 0.000 0.550 369 G N -0.594 108.402 108.800 0.327 0.000 2.938 369 G HA2 -0.166 3.798 3.960 0.007 0.000 0.234 369 G HA3 -0.166 3.798 3.960 0.007 0.000 0.234 369 G C -0.868 174.053 174.900 0.035 0.000 1.707 369 G CA 0.698 45.903 45.100 0.175 0.000 1.299 369 G HN 0.776 nan 8.290 nan 0.000 0.515 370 P HA 0.079 nan 4.420 nan 0.000 0.225 370 P C 0.723 178.080 177.300 0.095 0.000 1.148 370 P CA 0.641 63.613 63.100 -0.213 0.000 0.779 370 P CB -0.263 31.023 31.700 -0.690 0.000 0.780 371 F N 1.109 121.073 119.950 0.023 0.000 2.685 371 F HA 0.355 4.886 4.527 0.007 0.000 0.349 371 F C 1.258 177.054 175.800 -0.005 0.000 1.294 371 F CA -0.778 57.232 58.000 0.017 0.000 1.201 371 F CB -0.224 38.779 39.000 0.005 0.000 1.615 371 F HN 0.057 nan 8.300 nan 0.000 0.674 372 A N 2.613 125.498 122.820 0.109 0.000 2.557 372 A HA 0.764 5.088 4.320 0.007 0.000 0.292 372 A C -1.164 176.136 177.584 -0.473 0.000 1.139 372 A CA -0.820 51.150 52.037 -0.113 0.000 0.665 372 A CB 2.032 20.988 19.000 -0.073 0.000 1.285 372 A HN 0.511 nan 8.150 nan 0.000 0.433 373 E N 0.271 120.183 120.200 -0.479 0.000 2.392 373 E HA 0.485 4.840 4.350 0.007 0.000 0.279 373 E C -1.954 174.485 176.600 -0.269 0.000 0.964 373 E CA -0.821 55.304 56.400 -0.458 0.000 0.777 373 E CB 1.764 31.421 29.700 -0.073 0.000 1.249 373 E HN 0.359 nan 8.360 nan 0.000 0.449 374 D N 1.974 122.325 120.400 -0.082 0.000 2.347 374 D HA 0.251 4.895 4.640 0.007 0.000 0.235 374 D C -0.466 175.821 176.300 -0.023 0.000 1.149 374 D CA 0.158 54.165 54.000 0.012 0.000 0.850 374 D CB 1.563 42.460 40.800 0.162 0.000 1.061 374 D HN 0.518 nan 8.370 nan 0.000 0.487 375 S N 1.092 116.656 115.700 -0.226 0.000 2.841 375 S HA 0.297 4.771 4.470 0.007 0.000 0.318 375 S C -0.196 173.920 174.600 -0.807 0.000 1.127 375 S CA -0.890 57.053 58.200 -0.429 0.000 0.883 375 S CB 1.732 64.828 63.200 -0.173 0.000 1.271 375 S HN 0.171 nan 8.310 nan 0.000 0.567 376 D N 1.065 121.053 120.400 -0.686 0.000 2.619 376 D HA 0.470 5.115 4.640 0.007 0.000 0.224 376 D C -0.832 175.327 176.300 -0.235 0.000 1.133 376 D CA 0.069 53.787 54.000 -0.470 0.000 1.017 376 D CB -0.771 39.922 40.800 -0.178 0.000 1.077 376 D HN 0.418 nan 8.370 nan 0.000 0.503 377 S N 1.449 117.019 115.700 -0.216 0.000 2.570 377 S HA 0.284 4.758 4.470 0.007 0.000 0.286 377 S C -0.783 173.803 174.600 -0.024 0.000 1.099 377 S CA -0.971 57.166 58.200 -0.104 0.000 0.913 377 S CB 1.394 64.537 63.200 -0.096 0.000 1.085 377 S HN 0.401 nan 8.310 nan 0.000 0.480 378 W N 3.280 124.505 121.300 -0.124 0.000 2.231 378 W HA 0.144 4.808 4.660 0.007 0.000 0.341 378 W C -0.935 175.564 176.519 -0.034 0.000 1.298 378 W CA 0.938 58.238 57.345 -0.075 0.000 1.266 378 W CB 0.376 29.791 29.460 -0.076 0.000 1.172 378 W HN 0.582 nan 8.180 nan 0.000 0.568 379 D N 4.289 124.166 120.400 -0.871 0.000 2.479 379 D HA 0.107 4.752 4.640 0.007 0.000 0.246 379 D C 0.699 176.487 176.300 -0.852 0.000 1.336 379 D CA -0.289 53.378 54.000 -0.555 0.000 0.967 379 D CB 1.516 42.158 40.800 -0.263 0.000 1.275 379 D HN 0.295 nan 8.370 nan 0.000 0.577 380 T N 2.565 116.793 114.554 -0.543 0.000 2.788 380 T HA -0.100 4.254 4.350 0.007 0.000 0.268 380 T C 1.699 176.199 174.700 -0.333 0.000 1.044 380 T CA 1.104 62.978 62.100 -0.376 0.000 1.139 380 T CB -0.181 68.602 68.868 -0.143 0.000 0.867 380 T HN 0.387 nan 8.240 nan 0.000 0.454 381 F N 1.856 121.661 119.950 -0.242 0.000 2.102 381 F HA 0.007 4.538 4.527 0.007 0.000 0.298 381 F C 2.723 178.424 175.800 -0.164 0.000 1.105 381 F CA 0.861 58.752 58.000 -0.182 0.000 1.239 381 F CB -1.045 37.856 39.000 -0.164 0.000 0.991 381 F HN 0.123 nan 8.300 nan 0.000 0.474 382 A N 0.054 122.876 122.820 0.004 0.000 1.933 382 A HA -0.024 4.301 4.320 0.007 0.000 0.218 382 A C 2.401 179.919 177.584 -0.111 0.000 1.175 382 A CA 1.644 53.652 52.037 -0.049 0.000 0.628 382 A CB -1.286 17.664 19.000 -0.083 0.000 0.814 382 A HN 0.315 nan 8.150 nan 0.000 0.444 383 A N 0.451 123.104 122.820 -0.279 0.000 1.902 383 A HA -0.109 4.215 4.320 0.007 0.000 0.217 383 A C 2.526 180.072 177.584 -0.064 0.000 1.181 383 A CA 2.394 54.286 52.037 -0.241 0.000 0.623 383 A CB -1.001 17.701 19.000 -0.497 0.000 0.818 383 A HN 0.996 nan 8.150 nan 0.000 0.443 384 S N -0.649 115.012 115.700 -0.066 0.000 2.402 384 S HA -0.089 4.385 4.470 0.007 0.000 0.229 384 S C 1.737 176.360 174.600 0.037 0.000 1.021 384 S CA 1.390 59.582 58.200 -0.013 0.000 0.974 384 S CB -0.467 62.698 63.200 -0.058 0.000 0.800 384 S HN 0.200 nan 8.310 nan 0.000 0.484 385 L N 2.230 123.474 121.223 0.036 0.000 2.017 385 L HA 0.176 4.520 4.340 0.007 0.000 0.208 385 L C 3.027 180.013 176.870 0.194 0.000 1.073 385 L CA 1.493 56.389 54.840 0.093 0.000 0.745 385 L CB -1.719 40.365 42.059 0.042 0.000 0.894 385 L HN 0.439 nan 8.230 nan 0.000 0.432 386 A N -0.793 122.099 122.820 0.121 0.000 1.908 386 A HA -0.167 4.157 4.320 0.007 0.000 0.218 386 A C 2.450 180.090 177.584 0.092 0.000 1.181 386 A CA 1.847 53.951 52.037 0.112 0.000 0.627 386 A CB -0.883 18.169 19.000 0.087 0.000 0.818 386 A HN 0.409 nan 8.150 nan 0.000 0.445 387 A N -0.463 122.407 122.820 0.084 0.000 1.972 387 A HA 0.236 4.560 4.320 0.007 0.000 0.219 387 A C 2.192 179.822 177.584 0.077 0.000 1.169 387 A CA 1.724 53.804 52.037 0.072 0.000 0.635 387 A CB -0.678 18.362 19.000 0.067 0.000 0.810 387 A HN 1.117 nan 8.150 nan 0.000 0.446 388 A N -1.674 121.228 122.820 0.135 0.000 2.278 388 A HA 0.436 4.760 4.320 0.007 0.000 0.212 388 A C 1.547 179.176 177.584 0.074 0.000 1.213 388 A CA 1.015 53.154 52.037 0.171 0.000 0.840 388 A CB -0.961 18.228 19.000 0.314 0.000 0.866 388 A HN 1.867 nan 8.150 nan 0.000 0.489 389 G N -1.728 107.074 108.800 0.003 0.000 2.142 389 G HA2 -0.215 3.749 3.960 0.007 0.000 0.225 389 G HA3 -0.215 3.749 3.960 0.007 0.000 0.225 389 G C -0.256 174.412 174.900 -0.386 0.000 1.015 389 G CA 0.064 45.040 45.100 -0.208 0.000 0.716 389 G HN 0.340 nan 8.290 nan 0.000 0.508 390 F N 0.045 119.937 119.950 -0.096 0.000 2.532 390 F HA 0.638 5.169 4.527 0.007 0.000 0.321 390 F C 0.803 176.562 175.800 -0.069 0.000 1.089 390 F CA -1.014 56.938 58.000 -0.080 0.000 0.926 390 F CB 1.303 40.313 39.000 0.016 0.000 1.168 390 F HN 0.126 nan 8.300 nan 0.000 0.459 391 H N 0.442 119.675 119.070 0.271 0.000 2.547 391 H HA 0.627 5.187 4.556 0.007 0.000 0.362 391 H C -0.825 174.639 175.328 0.227 0.000 1.181 391 H CA -0.624 55.545 56.048 0.203 0.000 1.376 391 H CB 1.245 31.106 29.762 0.165 0.000 1.488 391 H HN 0.283 nan 8.280 nan 0.000 0.583 392 V N 3.056 123.159 119.914 0.316 0.000 2.487 392 V HA 0.222 4.346 4.120 0.007 0.000 0.298 392 V C -0.568 175.664 176.094 0.231 0.000 1.028 392 V CA -0.767 61.675 62.300 0.237 0.000 0.860 392 V CB 1.687 33.607 31.823 0.162 0.000 0.991 392 V HN 0.425 nan 8.190 nan 0.000 0.427 393 V N 6.281 126.336 119.914 0.235 0.000 2.384 393 V HA 0.502 4.626 4.120 0.007 0.000 0.287 393 V C -0.088 176.119 176.094 0.189 0.000 1.020 393 V CA -0.318 62.123 62.300 0.234 0.000 0.850 393 V CB 1.575 33.578 31.823 0.301 0.000 0.987 393 V HN 0.894 nan 8.190 nan 0.000 0.436 394 M N 8.206 127.906 119.600 0.168 0.000 2.065 394 M HA 0.348 4.832 4.480 0.007 0.000 0.308 394 M C -2.794 173.600 176.300 0.157 0.000 0.939 394 M CA -1.499 53.903 55.300 0.170 0.000 0.890 394 M CB 1.966 34.668 32.600 0.170 0.000 1.383 394 M HN 0.337 nan 8.290 nan 0.000 0.381 395 P HA 0.107 nan 4.420 nan 0.000 0.282 395 P C -1.014 176.386 177.300 0.167 0.000 1.262 395 P CA -0.229 62.949 63.100 0.130 0.000 0.773 395 P CB 0.684 32.491 31.700 0.178 0.000 0.879 396 N N 3.718 122.469 118.700 0.085 0.000 2.807 396 N HA 0.063 4.808 4.740 0.007 0.000 0.259 396 N C 0.194 175.858 175.510 0.257 0.000 1.149 396 N CA -0.138 52.985 53.050 0.121 0.000 1.042 396 N CB -0.386 38.117 38.487 0.026 0.000 1.367 396 N HN 0.453 nan 8.380 nan 0.000 0.516 397 Y N 0.168 120.641 120.300 0.288 0.000 2.550 397 Y HA 0.076 4.630 4.550 0.007 0.000 0.343 397 Y C 1.132 177.040 175.900 0.012 0.000 1.245 397 Y CA -1.303 56.922 58.100 0.209 0.000 1.462 397 Y CB 0.293 38.804 38.460 0.084 0.000 1.340 397 Y HN 0.279 nan 8.280 nan 0.000 0.604 398 R N 1.246 121.548 120.500 -0.330 0.000 2.537 398 R HA 0.358 4.702 4.340 0.007 0.000 0.281 398 R C 0.724 176.833 176.300 -0.317 0.000 0.988 398 R CA 0.622 55.977 56.100 -1.242 0.000 1.077 398 R CB -0.391 29.117 30.300 -1.320 0.000 0.932 398 R HN 1.355 nan 8.270 nan 0.000 0.409 399 G N 1.845 110.479 108.800 -0.276 0.000 2.316 399 G HA2 -0.239 3.725 3.960 0.007 0.000 0.203 399 G HA3 -0.239 3.725 3.960 0.007 0.000 0.203 399 G C -0.122 174.914 174.900 0.227 0.000 0.999 399 G CA -0.025 45.144 45.100 0.114 0.000 0.649 399 G HN 0.648 nan 8.290 nan 0.000 0.489 400 S N 1.524 117.274 115.700 0.083 0.000 2.584 400 S HA 0.545 5.020 4.470 0.007 0.000 0.270 400 S C 0.913 175.664 174.600 0.252 0.000 1.346 400 S CA 0.574 58.874 58.200 0.167 0.000 1.018 400 S CB 1.146 64.465 63.200 0.198 0.000 0.899 400 S HN 1.072 nan 8.310 nan 0.000 0.542 401 T N -1.428 113.231 114.554 0.174 0.000 2.849 401 T HA 0.658 5.013 4.350 0.007 0.000 0.276 401 T C 1.247 176.050 174.700 0.171 0.000 0.971 401 T CA -0.147 62.034 62.100 0.136 0.000 0.949 401 T CB 0.755 69.660 68.868 0.061 0.000 1.093 401 T HN 1.209 nan 8.240 nan 0.000 0.545 402 G N -0.391 108.434 108.800 0.042 0.000 2.199 402 G HA2 -0.254 3.711 3.960 0.007 0.000 0.254 402 G HA3 -0.254 3.711 3.960 0.007 0.000 0.254 402 G C 0.189 174.797 174.900 -0.487 0.000 0.982 402 G CA 0.423 45.412 45.100 -0.185 0.000 0.632 402 G HN 0.792 nan 8.290 nan 0.000 0.529 403 Y N 0.767 121.131 120.300 0.106 0.000 2.719 403 Y HA 0.502 5.057 4.550 0.007 0.000 0.251 403 Y C 1.223 177.183 175.900 0.100 0.000 1.159 403 Y CA 0.256 58.406 58.100 0.083 0.000 1.166 403 Y CB 1.113 39.581 38.460 0.013 0.000 1.219 403 Y HN 1.206 nan 8.280 nan 0.000 0.551 404 G N 0.495 109.391 108.800 0.160 0.000 2.617 404 G HA2 -0.195 3.769 3.960 0.007 0.000 0.686 404 G HA3 -0.195 3.769 3.960 0.007 0.000 0.686 404 G C 0.074 175.054 174.900 0.134 0.000 1.214 404 G CA -0.278 44.896 45.100 0.123 0.000 0.796 404 G HN 0.149 nan 8.290 nan 0.000 0.654 405 E N -0.037 120.197 120.200 0.057 0.000 2.077 405 E HA -0.120 4.234 4.350 0.007 0.000 0.193 405 E C 2.082 178.723 176.600 0.067 0.000 0.989 405 E CA 2.245 58.657 56.400 0.020 0.000 0.800 405 E CB -0.097 29.586 29.700 -0.029 0.000 0.746 405 E HN 0.661 nan 8.360 nan 0.000 0.452 406 E N -0.321 119.944 120.200 0.108 0.000 2.038 406 E HA -0.217 4.137 4.350 0.007 0.000 0.195 406 E C 1.887 178.619 176.600 0.221 0.000 1.000 406 E CA 1.293 57.776 56.400 0.138 0.000 0.803 406 E CB -0.499 29.285 29.700 0.141 0.000 0.750 406 E HN 0.556 nan 8.360 nan 0.000 0.448 407 W N 1.660 123.004 121.300 0.073 0.000 2.355 407 W HA -0.216 4.448 4.660 0.007 0.000 0.309 407 W C 2.410 179.001 176.519 0.120 0.000 1.206 407 W CA 1.466 58.874 57.345 0.104 0.000 1.284 407 W CB -0.187 29.352 29.460 0.131 0.000 1.145 407 W HN 0.092 nan 8.180 nan 0.000 0.502 408 R N 0.433 121.044 120.500 0.184 0.000 2.081 408 R HA -0.181 4.163 4.340 0.007 0.000 0.235 408 R C 2.317 178.651 176.300 0.057 0.000 1.131 408 R CA 1.766 57.908 56.100 0.069 0.000 0.960 408 R CB -0.710 29.582 30.300 -0.014 0.000 0.856 408 R HN 0.251 nan 8.270 nan 0.000 0.436 409 L N 0.355 121.600 121.223 0.036 0.000 2.478 409 L HA -0.015 4.329 4.340 0.007 0.000 0.223 409 L C 2.024 178.924 176.870 0.049 0.000 1.140 409 L CA 0.632 55.506 54.840 0.057 0.000 0.842 409 L CB -0.198 41.880 42.059 0.032 0.000 0.953 409 L HN 0.154 nan 8.230 nan 0.000 0.452 410 K N 0.529 120.930 120.400 0.003 0.000 2.211 410 K HA -0.172 4.152 4.320 0.007 0.000 0.204 410 K C 1.992 178.583 176.600 -0.014 0.000 1.047 410 K CA 1.201 57.476 56.287 -0.020 0.000 0.935 410 K CB -0.048 32.391 32.500 -0.102 0.000 0.728 410 K HN 0.305 nan 8.250 nan 0.000 0.452 411 I N 1.159 121.726 120.570 -0.005 0.000 2.761 411 I HA -0.104 4.070 4.170 0.007 0.000 0.261 411 I C 0.102 176.221 176.117 0.004 0.000 1.198 411 I CA 0.159 61.466 61.300 0.013 0.000 1.482 411 I CB 0.307 38.326 38.000 0.032 0.000 1.100 411 I HN -0.019 nan 8.210 nan 0.000 0.445 412 I N 2.356 122.943 120.570 0.028 0.000 2.741 412 I HA -0.024 4.150 4.170 0.007 0.000 0.288 412 I C 1.576 177.679 176.117 -0.023 0.000 1.192 412 I CA 1.312 62.611 61.300 -0.002 0.000 1.426 412 I CB -0.673 37.354 38.000 0.045 0.000 1.367 412 I HN 0.509 nan 8.210 nan 0.000 0.563 413 G N 5.518 114.278 108.800 -0.066 0.000 2.179 413 G HA2 -0.272 3.692 3.960 0.007 0.000 0.260 413 G HA3 -0.272 3.692 3.960 0.007 0.000 0.260 413 G C 0.308 175.187 174.900 -0.036 0.000 0.977 413 G CA 0.429 45.495 45.100 -0.057 0.000 0.641 413 G HN 0.627 nan 8.290 nan 0.000 0.533 414 D N 0.627 121.015 120.400 -0.021 0.000 2.945 414 D HA 0.342 4.986 4.640 0.007 0.000 0.369 414 D C -2.064 174.268 176.300 0.053 0.000 1.294 414 D CA -1.258 52.749 54.000 0.012 0.000 0.778 414 D CB 1.069 41.882 40.800 0.021 0.000 1.188 414 D HN 0.292 nan 8.370 nan 0.000 0.479 415 P HA 0.092 nan 4.420 nan 0.000 0.275 415 P C 0.150 177.612 177.300 0.270 0.000 1.228 415 P CA -0.118 63.138 63.100 0.260 0.000 0.786 415 P CB 1.345 33.206 31.700 0.268 0.000 0.927 416 c N 2.155 120.905 118.600 0.250 0.000 4.209 416 c HA -0.070 4.504 4.570 0.007 0.000 0.305 416 c C 1.215 175.303 174.090 -0.003 0.000 1.339 416 c CA 1.048 57.403 56.329 0.043 0.000 2.062 416 c CB -2.203 40.334 42.510 0.045 0.000 1.307 416 c HN 0.894 nan 8.230 nan 0.000 0.706 417 G N -0.117 108.673 108.800 -0.015 0.000 3.341 417 G HA2 0.519 4.484 3.960 0.007 0.000 0.186 417 G HA3 0.519 4.484 3.960 0.007 0.000 0.186 417 G C 1.117 175.935 174.900 -0.135 0.000 1.430 417 G CA 0.660 45.713 45.100 -0.077 0.000 0.961 417 G HN 1.055 nan 8.290 nan 0.000 0.767 418 G N 0.804 109.547 108.800 -0.095 0.000 2.442 418 G HA2 -0.146 3.818 3.960 0.007 0.000 0.219 418 G HA3 -0.146 3.818 3.960 0.007 0.000 0.219 418 G C 1.504 176.450 174.900 0.077 0.000 1.141 418 G CA 1.865 46.950 45.100 -0.025 0.000 0.763 418 G HN 0.595 nan 8.290 nan 0.000 0.554 419 E N 0.722 120.948 120.200 0.044 0.000 2.150 419 E HA -0.092 4.262 4.350 0.007 0.000 0.193 419 E C 2.369 178.966 176.600 -0.006 0.000 0.985 419 E CA 0.865 57.301 56.400 0.061 0.000 0.814 419 E CB -0.532 29.205 29.700 0.062 0.000 0.752 419 E HN 0.396 nan 8.360 nan 0.000 0.466 420 L N 1.432 122.622 121.223 -0.056 0.000 2.109 420 L HA -0.052 4.292 4.340 0.007 0.000 0.207 420 L C 2.161 179.027 176.870 -0.007 0.000 1.086 420 L CA 1.610 56.405 54.840 -0.074 0.000 0.760 420 L CB -0.300 41.690 42.059 -0.115 0.000 0.910 420 L HN -0.112 nan 8.230 nan 0.000 0.437 421 E N 0.171 120.356 120.200 -0.025 0.000 2.110 421 E HA -0.202 4.152 4.350 0.007 0.000 0.193 421 E C 1.828 178.539 176.600 0.186 0.000 0.988 421 E CA 1.346 57.761 56.400 0.024 0.000 0.804 421 E CB -0.319 29.293 29.700 -0.147 0.000 0.745 421 E HN 0.596 nan 8.360 nan 0.000 0.458 422 D N 0.195 120.739 120.400 0.241 0.000 2.117 422 D HA -0.094 4.550 4.640 0.007 0.000 0.198 422 D C 2.146 178.587 176.300 0.236 0.000 0.982 422 D CA 0.576 54.751 54.000 0.293 0.000 0.828 422 D CB -0.215 40.806 40.800 0.368 0.000 0.967 422 D HN 0.010 nan 8.370 nan 0.000 0.464 423 V N 0.975 121.005 119.914 0.193 0.000 2.343 423 V HA -0.211 3.914 4.120 0.007 0.000 0.247 423 V C 2.448 178.673 176.094 0.218 0.000 1.051 423 V CA 1.681 64.096 62.300 0.191 0.000 1.036 423 V CB -0.476 31.406 31.823 0.099 0.000 0.654 423 V HN 0.143 nan 8.190 nan 0.000 0.451 424 S N 0.313 116.114 115.700 0.168 0.000 2.382 424 S HA -0.151 4.323 4.470 0.007 0.000 0.228 424 S C 2.188 176.861 174.600 0.121 0.000 1.027 424 S CA 1.340 59.613 58.200 0.122 0.000 0.991 424 S CB -0.458 62.777 63.200 0.059 0.000 0.823 424 S HN 0.654 nan 8.310 nan 0.000 0.469 425 A N 1.550 124.466 122.820 0.160 0.000 1.930 425 A HA 0.185 4.509 4.320 0.007 0.000 0.217 425 A C 2.344 180.057 177.584 0.215 0.000 1.175 425 A CA 1.531 53.673 52.037 0.176 0.000 0.627 425 A CB -0.976 18.140 19.000 0.192 0.000 0.815 425 A HN 0.507 nan 8.150 nan 0.000 0.443 426 A N -0.137 122.813 122.820 0.216 0.000 1.933 426 A HA 0.190 4.515 4.320 0.007 0.000 0.218 426 A C 2.459 180.251 177.584 0.347 0.000 1.175 426 A CA 1.934 54.124 52.037 0.254 0.000 0.628 426 A CB -0.867 18.254 19.000 0.202 0.000 0.814 426 A HN 0.961 nan 8.150 nan 0.000 0.444 427 A N -0.136 122.844 122.820 0.266 0.000 1.873 427 A HA -0.127 4.197 4.320 0.007 0.000 0.215 427 A C 2.236 179.887 177.584 0.111 0.000 1.186 427 A CA 1.471 53.631 52.037 0.205 0.000 0.616 427 A CB -0.443 18.602 19.000 0.075 0.000 0.823 427 A HN 0.521 nan 8.150 nan 0.000 0.442 428 R N -2.097 118.455 120.500 0.086 0.000 2.096 428 R HA -0.186 4.158 4.340 0.007 0.000 0.235 428 R C 1.993 178.345 176.300 0.087 0.000 1.127 428 R CA 1.553 57.681 56.100 0.047 0.000 0.968 428 R CB -0.370 29.957 30.300 0.046 0.000 0.861 428 R HN 0.817 nan 8.270 nan 0.000 0.440 429 W N 1.271 122.585 121.300 0.024 0.000 2.381 429 W HA -0.129 4.535 4.660 0.007 0.000 0.301 429 W C 2.102 178.637 176.519 0.026 0.000 1.205 429 W CA 1.467 58.829 57.345 0.028 0.000 1.285 429 W CB -0.264 29.220 29.460 0.039 0.000 1.133 429 W HN 0.058 nan 8.180 nan 0.000 0.521 430 A N 0.876 123.687 122.820 -0.015 0.000 1.908 430 A HA -0.222 4.102 4.320 0.007 0.000 0.218 430 A C 2.029 179.410 177.584 -0.338 0.000 1.181 430 A CA 2.162 54.019 52.037 -0.299 0.000 0.627 430 A CB -0.938 18.131 19.000 0.116 0.000 0.818 430 A HN 0.450 nan 8.150 nan 0.000 0.445 431 R N -0.125 120.267 120.500 -0.181 0.000 2.057 431 R HA -0.086 4.258 4.340 0.007 0.000 0.229 431 R C 2.017 178.198 176.300 -0.199 0.000 1.136 431 R CA 1.736 57.744 56.100 -0.153 0.000 0.952 431 R CB -0.364 29.877 30.300 -0.098 0.000 0.848 431 R HN 0.624 nan 8.270 nan 0.000 0.430 432 E N 0.035 120.113 120.200 -0.203 0.000 2.153 432 E HA -0.144 4.210 4.350 0.007 0.000 0.194 432 E C 1.763 178.203 176.600 -0.267 0.000 0.988 432 E CA 1.461 57.753 56.400 -0.180 0.000 0.811 432 E CB 0.013 29.654 29.700 -0.099 0.000 0.746 432 E HN 0.485 nan 8.360 nan 0.000 0.466 433 S N -0.681 114.707 115.700 -0.520 0.000 2.522 433 S HA 0.087 4.561 4.470 0.007 0.000 0.227 433 S C 1.636 176.016 174.600 -0.366 0.000 0.986 433 S CA 0.509 58.379 58.200 -0.550 0.000 0.929 433 S CB 0.346 62.849 63.200 -1.161 0.000 0.769 433 S HN 0.376 nan 8.310 nan 0.000 0.529 434 G N 0.710 109.322 108.800 -0.313 0.000 2.141 434 G HA2 -0.210 3.754 3.960 0.007 0.000 0.231 434 G HA3 -0.210 3.754 3.960 0.007 0.000 0.231 434 G C 0.403 175.191 174.900 -0.186 0.000 0.984 434 G CA 0.303 45.285 45.100 -0.197 0.000 0.660 434 G HN 0.486 nan 8.290 nan 0.000 0.525 435 L N -0.067 120.994 121.223 -0.269 0.000 2.127 435 L HA 0.550 4.894 4.340 0.007 0.000 0.203 435 L C 1.676 178.517 176.870 -0.049 0.000 1.080 435 L CA 1.583 56.298 54.840 -0.209 0.000 0.768 435 L CB -0.253 41.636 42.059 -0.283 0.000 0.924 435 L HN 0.533 nan 8.230 nan 0.000 0.444 436 A N -0.920 121.874 122.820 -0.044 0.000 2.276 436 A HA 0.382 4.706 4.320 0.007 0.000 0.316 436 A C 0.958 178.549 177.584 0.011 0.000 1.229 436 A CA 0.078 52.143 52.037 0.047 0.000 0.851 436 A CB 0.890 19.924 19.000 0.057 0.000 1.165 436 A HN 0.408 nan 8.150 nan 0.000 0.513 437 S N 1.184 116.906 115.700 0.038 0.000 2.503 437 S HA 0.178 4.653 4.470 0.007 0.000 0.217 437 S C 0.315 174.907 174.600 -0.013 0.000 0.999 437 S CA 0.510 58.713 58.200 0.005 0.000 0.914 437 S CB -0.315 62.892 63.200 0.011 0.000 0.782 437 S HN 0.877 nan 8.310 nan 0.000 0.520 438 E N 0.019 120.217 120.200 -0.004 0.000 2.388 438 E HA 0.603 4.957 4.350 0.007 0.000 0.280 438 E C -1.818 174.722 176.600 -0.100 0.000 1.019 438 E CA -1.040 55.309 56.400 -0.084 0.000 0.806 438 E CB 0.909 30.546 29.700 -0.105 0.000 1.246 438 E HN 0.133 nan 8.360 nan 0.000 0.443 439 L N 1.850 122.948 121.223 -0.208 0.000 2.346 439 L HA 0.620 4.965 4.340 0.007 0.000 0.274 439 L C -1.270 175.522 176.870 -0.131 0.000 1.007 439 L CA -0.851 53.963 54.840 -0.043 0.000 0.818 439 L CB 1.166 43.255 42.059 0.051 0.000 1.284 439 L HN 0.591 nan 8.230 nan 0.000 0.424 440 Y N 2.358 122.886 120.300 0.379 0.000 2.576 440 Y HA 0.627 5.181 4.550 0.007 0.000 0.346 440 Y C -0.481 175.384 175.900 -0.058 0.000 1.018 440 Y CA -0.723 57.509 58.100 0.221 0.000 1.050 440 Y CB 2.516 41.037 38.460 0.102 0.000 1.280 440 Y HN 0.358 nan 8.280 nan 0.000 0.474 441 I N 3.263 123.682 120.570 -0.251 0.000 2.569 441 I HA 0.654 4.828 4.170 0.007 0.000 0.296 441 I C -1.403 174.568 176.117 -0.243 0.000 1.028 441 I CA -0.869 60.091 61.300 -0.566 0.000 1.082 441 I CB 1.551 38.750 38.000 -1.336 0.000 1.264 441 I HN 0.818 nan 8.210 nan 0.000 0.429 442 M N 6.529 126.020 119.600 -0.182 0.000 2.421 442 M HA 0.735 5.219 4.480 0.007 0.000 0.287 442 M C -1.516 174.712 176.300 -0.121 0.000 1.183 442 M CA -0.283 54.940 55.300 -0.128 0.000 0.916 442 M CB 2.299 34.872 32.600 -0.045 0.000 1.701 442 M HN 0.724 nan 8.290 nan 0.000 0.470 443 G N 2.246 110.934 108.800 -0.186 0.000 2.616 443 G HA2 0.571 4.535 3.960 0.007 0.000 0.294 443 G HA3 0.571 4.535 3.960 0.007 0.000 0.294 443 G C -2.723 172.009 174.900 -0.280 0.000 1.489 443 G CA -0.452 44.574 45.100 -0.124 0.000 0.836 443 G HN 0.596 nan 8.290 nan 0.000 0.527 444 Y N 0.621 120.798 120.300 -0.204 0.000 2.468 444 Y HA 0.751 5.305 4.550 0.007 0.000 0.342 444 Y C 1.152 177.014 175.900 -0.064 0.000 1.021 444 Y CA 0.490 58.479 58.100 -0.184 0.000 1.079 444 Y CB 2.201 40.475 38.460 -0.310 0.000 1.226 444 Y HN 1.148 nan 8.280 nan 0.000 0.460 445 S N 0.911 116.669 115.700 0.096 0.000 4.069 445 S HA -0.413 4.061 4.470 0.007 0.000 0.626 445 S C 1.056 175.778 174.600 0.203 0.000 2.000 445 S CA 1.476 59.812 58.200 0.226 0.000 4.174 445 S CB -1.543 61.873 63.200 0.360 0.000 0.210 445 S HN 0.864 nan 8.310 nan 0.000 0.602 446 Y N 2.309 122.720 120.300 0.185 0.000 2.315 446 Y HA 0.063 4.617 4.550 0.007 0.000 0.288 446 Y C 2.239 178.245 175.900 0.177 0.000 1.154 446 Y CA 2.393 60.632 58.100 0.230 0.000 1.229 446 Y CB -0.904 37.727 38.460 0.284 0.000 0.980 446 Y HN 0.518 nan 8.280 nan 0.000 0.540 447 G N -1.104 107.815 108.800 0.198 0.000 2.421 447 G HA2 -0.170 3.794 3.960 0.007 0.000 0.217 447 G HA3 -0.170 3.794 3.960 0.007 0.000 0.217 447 G C 1.876 176.717 174.900 -0.099 0.000 1.143 447 G CA 0.621 45.749 45.100 0.047 0.000 0.784 447 G HN 0.540 nan 8.290 nan 0.000 0.541 448 G N -0.208 108.529 108.800 -0.104 0.000 2.421 448 G HA2 -0.185 3.780 3.960 0.007 0.000 0.217 448 G HA3 -0.185 3.780 3.960 0.007 0.000 0.217 448 G C 1.573 176.370 174.900 -0.171 0.000 1.143 448 G CA 0.955 45.940 45.100 -0.192 0.000 0.784 448 G HN 0.396 nan 8.290 nan 0.000 0.541 449 Y N 1.004 121.125 120.300 -0.298 0.000 2.181 449 Y HA -0.109 4.445 4.550 0.007 0.000 0.288 449 Y C 2.704 178.384 175.900 -0.366 0.000 1.146 449 Y CA 1.511 59.379 58.100 -0.386 0.000 1.164 449 Y CB -0.124 37.992 38.460 -0.573 0.000 0.982 449 Y HN 0.067 nan 8.280 nan 0.000 0.515 450 M N -0.389 118.916 119.600 -0.492 0.000 2.117 450 M HA -0.213 4.271 4.480 0.007 0.000 0.262 450 M C 2.087 178.166 176.300 -0.368 0.000 1.065 450 M CA 2.067 57.074 55.300 -0.488 0.000 1.114 450 M CB -1.489 30.896 32.600 -0.358 0.000 1.361 450 M HN 0.266 nan 8.290 nan 0.000 0.408 451 T N 1.333 115.705 114.554 -0.303 0.000 2.665 451 T HA -0.149 4.205 4.350 0.007 0.000 0.268 451 T C 1.834 176.395 174.700 -0.232 0.000 1.035 451 T CA 1.154 63.092 62.100 -0.270 0.000 1.151 451 T CB -0.197 68.523 68.868 -0.246 0.000 0.862 451 T HN 0.107 nan 8.240 nan 0.000 0.438 452 L N 0.475 121.544 121.223 -0.257 0.000 2.093 452 L HA -0.004 4.340 4.340 0.007 0.000 0.208 452 L C 2.731 179.451 176.870 -0.250 0.000 1.085 452 L CA 1.107 55.814 54.840 -0.223 0.000 0.755 452 L CB -1.216 40.712 42.059 -0.217 0.000 0.904 452 L HN 0.389 nan 8.230 nan 0.000 0.435 453 c N -1.355 117.010 118.600 -0.393 0.000 2.440 453 c HA -0.096 4.479 4.570 0.007 0.000 0.278 453 c C 2.945 176.909 174.090 -0.211 0.000 1.295 453 c CA 0.605 56.709 56.329 -0.374 0.000 1.738 453 c CB -1.034 41.129 42.510 -0.578 0.000 1.987 453 c HN 0.612 nan 8.230 nan 0.000 0.492 454 A N 0.087 122.812 122.820 -0.159 0.000 1.898 454 A HA -0.043 4.282 4.320 0.007 0.000 0.216 454 A C 2.086 179.689 177.584 0.033 0.000 1.181 454 A CA 1.270 53.303 52.037 -0.006 0.000 0.620 454 A CB -0.569 18.491 19.000 0.099 0.000 0.819 454 A HN 0.587 nan 8.150 nan 0.000 0.442 455 L N 0.069 121.290 121.223 -0.004 0.000 2.141 455 L HA -0.132 4.212 4.340 0.007 0.000 0.209 455 L C 2.859 179.726 176.870 -0.005 0.000 1.094 455 L CA 1.868 56.722 54.840 0.024 0.000 0.763 455 L CB -1.022 41.043 42.059 0.011 0.000 0.908 455 L HN 0.680 nan 8.230 nan 0.000 0.437 456 T N -3.730 110.796 114.554 -0.046 0.000 2.939 456 T HA -0.025 4.329 4.350 0.007 0.000 0.254 456 T C 1.778 176.426 174.700 -0.087 0.000 1.041 456 T CA 0.443 62.515 62.100 -0.046 0.000 1.142 456 T CB 0.038 68.885 68.868 -0.034 0.000 0.874 456 T HN 0.012 nan 8.240 nan 0.000 0.452 457 M N 0.524 120.052 119.600 -0.120 0.000 2.501 457 M HA 0.325 4.809 4.480 0.007 0.000 0.261 457 M C 0.489 176.738 176.300 -0.085 0.000 1.129 457 M CA 0.748 55.963 55.300 -0.142 0.000 1.126 457 M CB -0.361 32.131 32.600 -0.179 0.000 1.359 457 M HN 0.096 nan 8.290 nan 0.000 0.471 458 K N 1.349 121.722 120.400 -0.044 0.000 3.205 458 K HA 0.359 4.684 4.320 0.007 0.000 0.202 458 K C -2.541 174.054 176.600 -0.008 0.000 1.160 458 K CA -1.580 54.690 56.287 -0.028 0.000 0.995 458 K CB 0.288 32.783 32.500 -0.008 0.000 1.041 458 K HN 0.133 nan 8.250 nan 0.000 0.507 459 P HA -0.018 nan 4.420 nan 0.000 0.266 459 P C 0.826 178.118 177.300 -0.013 0.000 1.195 459 P CA 1.018 64.121 63.100 0.005 0.000 0.768 459 P CB 0.887 32.588 31.700 0.001 0.000 0.838 460 G N 1.879 110.677 108.800 -0.004 0.000 2.241 460 G HA2 -0.332 3.632 3.960 0.007 0.000 0.244 460 G HA3 -0.332 3.632 3.960 0.007 0.000 0.244 460 G C 0.628 175.475 174.900 -0.088 0.000 0.998 460 G CA 0.323 45.404 45.100 -0.033 0.000 0.621 460 G HN 0.564 nan 8.290 nan 0.000 0.519 461 L N 0.097 121.237 121.223 -0.139 0.000 2.044 461 L HA 0.513 4.857 4.340 0.007 0.000 0.205 461 L C 1.182 177.745 176.870 -0.512 0.000 1.075 461 L CA 1.477 56.108 54.840 -0.349 0.000 0.747 461 L CB -0.311 41.472 42.059 -0.461 0.000 0.903 461 L HN 0.253 nan 8.230 nan 0.000 0.435 462 F N -0.847 119.087 119.950 -0.027 0.000 2.450 462 F HA 0.300 4.832 4.527 0.007 0.000 0.328 462 F C 1.508 177.275 175.800 -0.056 0.000 1.068 462 F CA -0.454 57.520 58.000 -0.043 0.000 1.007 462 F CB 0.966 39.970 39.000 0.006 0.000 1.251 462 F HN -0.253 nan 8.300 nan 0.000 0.492 463 K N 0.795 121.234 120.400 0.066 0.000 2.323 463 K HA 0.517 4.842 4.320 0.007 0.000 0.197 463 K C -0.362 176.342 176.600 0.174 0.000 1.043 463 K CA 0.637 56.924 56.287 0.001 0.000 0.997 463 K CB 0.334 32.688 32.500 -0.242 0.000 0.807 463 K HN 0.704 nan 8.250 nan 0.000 0.497 464 A N -0.502 122.508 122.820 0.317 0.000 2.583 464 A HA 0.585 4.909 4.320 0.007 0.000 0.292 464 A C -1.105 176.707 177.584 0.381 0.000 1.045 464 A CA -0.457 51.823 52.037 0.404 0.000 0.672 464 A CB 1.182 20.447 19.000 0.441 0.000 1.283 464 A HN 0.171 nan 8.150 nan 0.000 0.419 465 G N -0.677 108.316 108.800 0.322 0.000 2.620 465 G HA2 0.649 4.613 3.960 0.007 0.000 0.301 465 G HA3 0.649 4.613 3.960 0.007 0.000 0.301 465 G C -1.659 173.271 174.900 0.050 0.000 1.347 465 G CA -0.541 44.629 45.100 0.116 0.000 0.971 465 G HN 1.273 nan 8.290 nan 0.000 0.488 466 V N 0.801 120.674 119.914 -0.069 0.000 2.444 466 V HA 0.714 4.838 4.120 0.007 0.000 0.294 466 V C 0.140 176.067 176.094 -0.279 0.000 1.022 466 V CA -0.701 61.484 62.300 -0.192 0.000 0.850 466 V CB 1.349 33.100 31.823 -0.121 0.000 0.992 466 V HN 1.154 nan 8.190 nan 0.000 0.426 467 A N 3.869 126.507 122.820 -0.304 0.000 2.285 467 A HA 0.830 5.154 4.320 0.007 0.000 0.310 467 A C 0.253 177.592 177.584 -0.410 0.000 1.266 467 A CA -0.173 51.665 52.037 -0.333 0.000 0.832 467 A CB 0.953 19.820 19.000 -0.221 0.000 1.163 467 A HN 0.989 nan 8.150 nan 0.000 0.499 468 G N 0.992 109.362 108.800 -0.717 0.000 2.379 468 G HA2 0.643 4.607 3.960 0.007 0.000 0.327 468 G HA3 0.643 4.607 3.960 0.007 0.000 0.327 468 G C 0.656 175.322 174.900 -0.390 0.000 1.145 468 G CA 0.078 44.741 45.100 -0.730 0.000 0.905 468 G HN 2.285 nan 8.290 nan 0.000 0.466 469 A N 0.886 123.479 122.820 -0.379 0.000 2.511 469 A HA -0.004 4.320 4.320 0.007 0.000 0.297 469 A C 1.172 178.652 177.584 -0.173 0.000 1.476 469 A CA 1.044 52.754 52.037 -0.546 0.000 0.757 469 A CB -2.011 16.781 19.000 -0.346 0.000 1.072 469 A HN 2.218 nan 8.150 nan 0.000 0.413 470 S N -1.328 114.335 115.700 -0.062 0.000 2.707 470 S HA 0.781 5.255 4.470 0.007 0.000 0.276 470 S C 0.038 174.647 174.600 0.015 0.000 1.179 470 S CA -0.320 57.874 58.200 -0.010 0.000 0.992 470 S CB 1.967 65.129 63.200 -0.064 0.000 1.030 470 S HN 1.192 nan 8.310 nan 0.000 0.554 471 V N 1.386 121.243 119.914 -0.096 0.000 2.435 471 V HA 0.466 4.590 4.120 0.007 0.000 0.290 471 V C 0.511 176.477 176.094 -0.214 0.000 1.030 471 V CA -0.437 61.691 62.300 -0.287 0.000 0.881 471 V CB 1.370 32.720 31.823 -0.788 0.000 0.983 471 V HN 0.855 nan 8.190 nan 0.000 0.445 472 V N 2.632 122.406 119.914 -0.233 0.000 3.562 472 V HA 0.388 4.512 4.120 0.007 0.000 0.270 472 V C -0.366 175.613 176.094 -0.192 0.000 1.418 472 V CA 0.543 62.742 62.300 -0.168 0.000 1.033 472 V CB 0.833 32.573 31.823 -0.138 0.000 0.820 472 V HN 0.951 nan 8.190 nan 0.000 0.441 473 D N -1.923 118.323 120.400 -0.257 0.000 2.764 473 D HA 0.210 4.855 4.640 0.007 0.000 0.227 473 D C 0.034 176.256 176.300 -0.129 0.000 1.347 473 D CA -0.452 53.450 54.000 -0.164 0.000 0.953 473 D CB 0.844 41.603 40.800 -0.069 0.000 1.476 473 D HN 0.158 nan 8.370 nan 0.000 0.585 474 W N 2.111 123.444 121.300 0.055 0.000 2.436 474 W HA 0.026 4.690 4.660 0.007 0.000 0.284 474 W C 1.852 178.433 176.519 0.104 0.000 1.225 474 W CA 0.159 57.548 57.345 0.073 0.000 1.271 474 W CB 0.301 29.794 29.460 0.056 0.000 1.114 474 W HN 0.479 nan 8.180 nan 0.000 0.559 475 E N 0.381 120.744 120.200 0.272 0.000 2.028 475 E HA -0.233 4.121 4.350 0.007 0.000 0.190 475 E C 1.854 178.564 176.600 0.184 0.000 0.984 475 E CA 1.291 57.805 56.400 0.191 0.000 0.800 475 E CB -0.393 29.370 29.700 0.106 0.000 0.758 475 E HN 0.365 nan 8.360 nan 0.000 0.448 476 E N 0.870 121.138 120.200 0.113 0.000 2.150 476 E HA -0.167 4.187 4.350 0.007 0.000 0.193 476 E C 2.118 178.776 176.600 0.096 0.000 0.985 476 E CA 0.556 57.005 56.400 0.081 0.000 0.814 476 E CB 0.007 29.720 29.700 0.021 0.000 0.752 476 E HN 0.161 nan 8.360 nan 0.000 0.466 477 M N -0.284 119.385 119.600 0.115 0.000 2.117 477 M HA -0.205 4.279 4.480 0.007 0.000 0.262 477 M C 1.985 178.388 176.300 0.172 0.000 1.065 477 M CA 1.505 56.872 55.300 0.111 0.000 1.114 477 M CB -0.191 32.485 32.600 0.127 0.000 1.361 477 M HN 0.250 nan 8.290 nan 0.000 0.408 478 Y N 1.258 121.649 120.300 0.152 0.000 2.145 478 Y HA -0.262 4.292 4.550 0.007 0.000 0.286 478 Y C 1.942 177.899 175.900 0.094 0.000 1.145 478 Y CA 2.313 60.502 58.100 0.149 0.000 1.148 478 Y CB -0.222 38.326 38.460 0.146 0.000 0.981 478 Y HN 0.348 nan 8.280 nan 0.000 0.507 479 E N -0.708 119.637 120.200 0.242 0.000 2.209 479 E HA -0.190 4.165 4.350 0.007 0.000 0.196 479 E C 1.107 177.727 176.600 0.034 0.000 0.993 479 E CA 0.965 57.449 56.400 0.139 0.000 0.819 479 E CB -0.075 29.696 29.700 0.118 0.000 0.745 479 E HN 0.319 nan 8.360 nan 0.000 0.477 480 L N -0.020 121.210 121.223 0.012 0.000 2.693 480 L HA 0.178 4.523 4.340 0.007 0.000 0.235 480 L C 0.265 177.106 176.870 -0.049 0.000 1.127 480 L CA 0.421 55.248 54.840 -0.021 0.000 0.914 480 L CB 0.510 42.556 42.059 -0.022 0.000 1.193 480 L HN -0.201 nan 8.230 nan 0.000 0.502 481 S N 0.156 115.814 115.700 -0.070 0.000 2.632 481 S HA 0.333 4.807 4.470 0.007 0.000 0.271 481 S C -0.067 174.500 174.600 -0.055 0.000 1.260 481 S CA -0.777 57.392 58.200 -0.052 0.000 1.010 481 S CB 1.405 64.604 63.200 -0.002 0.000 0.965 481 S HN 0.363 nan 8.310 nan 0.000 0.534 482 D N 0.798 121.210 120.400 0.020 0.000 2.447 482 D HA 0.408 5.052 4.640 0.007 0.000 0.265 482 D C 1.203 177.484 176.300 -0.031 0.000 1.250 482 D CA -0.343 53.658 54.000 0.001 0.000 1.046 482 D CB -0.059 40.762 40.800 0.035 0.000 1.095 482 D HN 0.382 nan 8.370 nan 0.000 0.555 483 A N -0.216 122.565 122.820 -0.064 0.000 1.908 483 A HA -0.003 4.321 4.320 0.007 0.000 0.218 483 A C 2.181 179.674 177.584 -0.153 0.000 1.181 483 A CA 2.748 54.727 52.037 -0.097 0.000 0.627 483 A CB -1.352 17.591 19.000 -0.096 0.000 0.818 483 A HN 0.684 nan 8.150 nan 0.000 0.445 484 A N -1.257 121.394 122.820 -0.282 0.000 1.873 484 A HA 0.054 4.378 4.320 0.007 0.000 0.215 484 A C 1.932 179.265 177.584 -0.418 0.000 1.186 484 A CA 1.418 53.047 52.037 -0.681 0.000 0.616 484 A CB -0.718 17.446 19.000 -1.393 0.000 0.823 484 A HN 0.466 nan 8.150 nan 0.000 0.442 485 F N -0.119 119.794 119.950 -0.061 0.000 2.407 485 F HA -0.016 4.515 4.527 0.007 0.000 0.299 485 F C 2.535 178.427 175.800 0.154 0.000 1.097 485 F CA 1.056 59.142 58.000 0.144 0.000 1.422 485 F CB -0.095 38.928 39.000 0.039 0.000 1.067 485 F HN 0.104 nan 8.300 nan 0.000 0.539 486 R N -0.059 120.495 120.500 0.091 0.000 2.092 486 R HA -0.151 4.193 4.340 0.007 0.000 0.231 486 R C 2.094 178.513 176.300 0.198 0.000 1.119 486 R CA 1.214 57.266 56.100 -0.079 0.000 0.970 486 R CB -0.637 29.418 30.300 -0.409 0.000 0.864 486 R HN 0.338 nan 8.270 nan 0.000 0.440 487 N N 0.581 119.374 118.700 0.156 0.000 2.244 487 N HA -0.179 4.565 4.740 0.007 0.000 0.183 487 N C 1.701 177.360 175.510 0.247 0.000 1.016 487 N CA 0.871 54.034 53.050 0.188 0.000 0.866 487 N CB 0.005 38.578 38.487 0.143 0.000 0.980 487 N HN 0.101 nan 8.380 nan 0.000 0.430 488 F N 1.929 121.975 119.950 0.159 0.000 2.095 488 F HA -0.102 4.429 4.527 0.007 0.000 0.298 488 F C 2.167 177.991 175.800 0.039 0.000 1.104 488 F CA 1.320 59.388 58.000 0.113 0.000 1.232 488 F CB -0.304 38.779 39.000 0.137 0.000 0.987 488 F HN -0.032 nan 8.300 nan 0.000 0.475 489 I N 0.364 121.119 120.570 0.309 0.000 2.226 489 I HA -0.267 3.908 4.170 0.007 0.000 0.245 489 I C 2.235 178.309 176.117 -0.071 0.000 1.100 489 I CA 1.650 62.999 61.300 0.082 0.000 1.374 489 I CB -0.654 37.590 38.000 0.407 0.000 1.057 489 I HN 0.248 nan 8.210 nan 0.000 0.413 490 E N 0.549 120.799 120.200 0.084 0.000 2.077 490 E HA -0.270 4.084 4.350 0.007 0.000 0.193 490 E C 2.236 178.801 176.600 -0.058 0.000 0.989 490 E CA 1.187 57.603 56.400 0.028 0.000 0.800 490 E CB -0.126 29.643 29.700 0.116 0.000 0.746 490 E HN 0.564 nan 8.360 nan 0.000 0.452 491 Q N 0.197 119.954 119.800 -0.071 0.000 2.079 491 Q HA -0.137 4.207 4.340 0.007 0.000 0.200 491 Q C 2.355 178.234 176.000 -0.202 0.000 0.974 491 Q CA 0.764 56.515 55.803 -0.086 0.000 0.840 491 Q CB -0.111 28.614 28.738 -0.021 0.000 0.898 491 Q HN 0.181 nan 8.270 nan 0.000 0.430 492 L N 0.862 121.838 121.223 -0.412 0.000 2.046 492 L HA -0.134 4.210 4.340 0.007 0.000 0.208 492 L C 2.203 178.850 176.870 -0.372 0.000 1.077 492 L CA 2.331 56.871 54.840 -0.500 0.000 0.747 492 L CB -0.663 40.890 42.059 -0.844 0.000 0.896 492 L HN 0.289 nan 8.230 nan 0.000 0.432 493 T N -4.119 110.216 114.554 -0.366 0.000 3.107 493 T HA 0.319 4.673 4.350 0.007 0.000 0.249 493 T C 1.401 176.009 174.700 -0.154 0.000 1.096 493 T CA 0.252 62.186 62.100 -0.276 0.000 1.012 493 T CB -0.308 68.374 68.868 -0.311 0.000 0.977 493 T HN 0.612 nan 8.240 nan 0.000 0.527 494 G N 1.049 109.775 108.800 -0.123 0.000 2.168 494 G HA2 0.027 3.992 3.960 0.007 0.000 0.257 494 G HA3 0.027 3.992 3.960 0.007 0.000 0.257 494 G C 1.145 176.011 174.900 -0.058 0.000 0.997 494 G CA 0.431 45.491 45.100 -0.067 0.000 0.708 494 G HN 1.779 nan 8.290 nan 0.000 0.520 495 G N -1.593 107.161 108.800 -0.077 0.000 2.184 495 G HA2 -0.018 3.946 3.960 0.007 0.000 0.264 495 G HA3 -0.018 3.946 3.960 0.007 0.000 0.264 495 G C 0.599 175.451 174.900 -0.080 0.000 0.975 495 G CA 1.372 46.428 45.100 -0.072 0.000 0.642 495 G HN 2.205 nan 8.290 nan 0.000 0.536 496 S N -0.480 115.174 115.700 -0.077 0.000 2.474 496 S HA 0.531 5.005 4.470 0.007 0.000 0.276 496 S C 1.473 176.034 174.600 -0.065 0.000 1.227 496 S CA 0.352 58.516 58.200 -0.060 0.000 1.050 496 S CB 1.162 64.336 63.200 -0.043 0.000 0.939 496 S HN 0.483 nan 8.310 nan 0.000 0.490 497 R N 3.115 123.582 120.500 -0.056 0.000 2.115 497 R HA -0.005 4.340 4.340 0.007 0.000 0.226 497 R C 1.989 178.282 176.300 -0.011 0.000 1.100 497 R CA 1.640 57.712 56.100 -0.047 0.000 0.980 497 R CB -0.241 30.029 30.300 -0.049 0.000 0.875 497 R HN 0.781 nan 8.270 nan 0.000 0.445 498 E N 0.350 120.546 120.200 -0.007 0.000 2.077 498 E HA -0.161 4.193 4.350 0.007 0.000 0.193 498 E C 1.544 178.162 176.600 0.030 0.000 0.989 498 E CA 1.462 57.869 56.400 0.012 0.000 0.800 498 E CB -0.136 29.569 29.700 0.007 0.000 0.746 498 E HN 0.258 nan 8.360 nan 0.000 0.452 499 I N 0.310 120.888 120.570 0.013 0.000 2.202 499 I HA -0.202 3.972 4.170 0.007 0.000 0.242 499 I C 2.388 178.545 176.117 0.067 0.000 1.091 499 I CA 1.240 62.554 61.300 0.024 0.000 1.368 499 I CB -0.946 37.034 38.000 -0.032 0.000 1.058 499 I HN 0.308 nan 8.210 nan 0.000 0.410 500 M N -0.275 119.346 119.600 0.035 0.000 2.106 500 M HA -0.264 4.220 4.480 0.007 0.000 0.259 500 M C 2.436 178.880 176.300 0.239 0.000 1.068 500 M CA 1.907 57.285 55.300 0.130 0.000 1.100 500 M CB -0.405 32.234 32.600 0.066 0.000 1.351 500 M HN 0.150 nan 8.290 nan 0.000 0.404 501 R N 0.070 120.651 120.500 0.136 0.000 2.057 501 R HA -0.081 4.263 4.340 0.007 0.000 0.224 501 R C 2.396 178.769 176.300 0.123 0.000 1.136 501 R CA 1.692 57.857 56.100 0.109 0.000 0.968 501 R CB -0.220 30.108 30.300 0.046 0.000 0.863 501 R HN 0.378 nan 8.270 nan 0.000 0.433 502 S N 0.294 116.072 115.700 0.130 0.000 2.419 502 S HA -0.047 4.427 4.470 0.007 0.000 0.233 502 S C 1.440 176.220 174.600 0.299 0.000 1.016 502 S CA 0.582 58.895 58.200 0.188 0.000 0.974 502 S CB -0.079 63.206 63.200 0.141 0.000 0.786 502 S HN 0.260 nan 8.310 nan 0.000 0.492 503 R N 1.558 122.230 120.500 0.286 0.000 2.391 503 R HA 0.400 4.745 4.340 0.007 0.000 0.249 503 R C -0.334 176.247 176.300 0.468 0.000 0.957 503 R CA -0.038 56.276 56.100 0.358 0.000 1.093 503 R CB -0.607 29.919 30.300 0.376 0.000 1.156 503 R HN 0.310 nan 8.270 nan 0.000 0.526 504 S N 1.848 117.754 115.700 0.344 0.000 2.429 504 S HA 0.274 4.748 4.470 0.007 0.000 0.302 504 S C -1.769 172.917 174.600 0.144 0.000 1.115 504 S CA -1.252 57.067 58.200 0.199 0.000 1.095 504 S CB 2.091 65.357 63.200 0.109 0.000 0.987 504 S HN -0.061 nan 8.310 nan 0.000 0.474 505 P HA -0.084 nan 4.420 nan 0.000 0.219 505 P C 1.335 178.640 177.300 0.008 0.000 1.146 505 P CA 0.391 63.528 63.100 0.062 0.000 0.808 505 P CB 0.078 31.739 31.700 -0.065 0.000 0.779 506 I N -0.355 120.187 120.570 -0.047 0.000 2.530 506 I HA -0.216 3.959 4.170 0.007 0.000 0.257 506 I C 0.917 176.968 176.117 -0.110 0.000 1.179 506 I CA 1.694 62.944 61.300 -0.083 0.000 1.440 506 I CB -0.740 37.207 38.000 -0.087 0.000 1.087 506 I HN -0.081 nan 8.210 nan 0.000 0.440 507 N N -1.419 117.176 118.700 -0.174 0.000 2.270 507 N HA 0.081 4.825 4.740 0.007 0.000 0.198 507 N C 0.162 175.358 175.510 -0.524 0.000 1.117 507 N CA 0.228 53.078 53.050 -0.334 0.000 0.845 507 N CB 0.101 38.355 38.487 -0.388 0.000 0.980 507 N HN 0.472 nan 8.380 nan 0.000 0.486 508 H N -1.619 117.431 119.070 -0.033 0.000 2.750 508 H HA 0.202 4.763 4.556 0.007 0.000 0.252 508 H C 1.081 176.384 175.328 -0.041 0.000 1.176 508 H CA -0.236 55.792 56.048 -0.033 0.000 0.987 508 H CB 0.594 30.336 29.762 -0.034 0.000 1.810 508 H HN -0.058 nan 8.280 nan 0.000 0.630 509 V N 0.448 120.373 119.914 0.018 0.000 2.469 509 V HA -0.288 3.837 4.120 0.007 0.000 0.251 509 V C 2.219 178.315 176.094 0.004 0.000 1.064 509 V CA 2.113 64.406 62.300 -0.011 0.000 1.066 509 V CB -0.125 31.664 31.823 -0.056 0.000 0.667 509 V HN 0.604 nan 8.190 nan 0.000 0.461 510 D N 0.167 120.574 120.400 0.012 0.000 2.190 510 D HA -0.188 4.457 4.640 0.007 0.000 0.200 510 D C 2.367 178.682 176.300 0.024 0.000 0.992 510 D CA 1.280 55.289 54.000 0.016 0.000 0.854 510 D CB -0.059 40.751 40.800 0.017 0.000 0.936 510 D HN 0.433 nan 8.370 nan 0.000 0.462 511 R N -0.264 120.258 120.500 0.036 0.000 2.235 511 R HA 0.096 4.441 4.340 0.007 0.000 0.213 511 R C 0.835 177.146 176.300 0.019 0.000 1.059 511 R CA -0.079 56.036 56.100 0.025 0.000 0.997 511 R CB 0.170 30.483 30.300 0.022 0.000 0.884 511 R HN 0.217 nan 8.270 nan 0.000 0.462 512 I N 1.972 122.554 120.570 0.020 0.000 2.683 512 I HA -0.121 4.053 4.170 0.007 0.000 0.286 512 I C 1.191 177.329 176.117 0.036 0.000 1.175 512 I CA 0.810 62.125 61.300 0.024 0.000 1.429 512 I CB 0.617 38.628 38.000 0.018 0.000 1.371 512 I HN -0.004 nan 8.210 nan 0.000 0.569 513 K N 4.201 124.627 120.400 0.045 0.000 2.491 513 K HA 0.256 4.581 4.320 0.007 0.000 0.211 513 K C -0.053 176.589 176.600 0.070 0.000 1.210 513 K CA 0.086 56.402 56.287 0.049 0.000 1.003 513 K CB 0.685 33.206 32.500 0.035 0.000 1.009 513 K HN 0.492 nan 8.250 nan 0.000 0.577 514 E N 1.225 121.479 120.200 0.089 0.000 2.222 514 E HA 0.326 4.680 4.350 0.007 0.000 0.267 514 E C -2.701 173.997 176.600 0.163 0.000 0.963 514 E CA -2.227 54.247 56.400 0.124 0.000 0.837 514 E CB 0.860 30.647 29.700 0.145 0.000 1.183 514 E HN -0.197 nan 8.360 nan 0.000 0.403 515 P HA 0.068 nan 4.420 nan 0.000 0.268 515 P C -1.216 176.309 177.300 0.375 0.000 1.204 515 P CA -0.167 63.118 63.100 0.308 0.000 0.768 515 P CB 0.382 32.285 31.700 0.338 0.000 0.842 516 L N 3.059 124.448 121.223 0.276 0.000 2.385 516 L HA 0.765 5.109 4.340 0.007 0.000 0.273 516 L C -1.092 175.703 176.870 -0.125 0.000 0.990 516 L CA -0.794 54.101 54.840 0.092 0.000 0.821 516 L CB 1.611 43.697 42.059 0.046 0.000 1.279 516 L HN 0.383 nan 8.230 nan 0.000 0.412 517 A N 6.091 128.606 122.820 -0.508 0.000 2.303 517 A HA 0.780 5.104 4.320 0.007 0.000 0.320 517 A C -1.232 176.172 177.584 -0.301 0.000 1.192 517 A CA -0.505 51.139 52.037 -0.654 0.000 0.821 517 A CB 0.577 18.703 19.000 -1.458 0.000 1.188 517 A HN 0.722 nan 8.150 nan 0.000 0.492 518 L N 3.059 124.205 121.223 -0.128 0.000 2.317 518 L HA 0.623 4.967 4.340 0.007 0.000 0.281 518 L C -0.672 176.200 176.870 0.005 0.000 1.024 518 L CA -0.302 54.496 54.840 -0.069 0.000 0.810 518 L CB 1.597 43.640 42.059 -0.026 0.000 1.240 518 L HN 0.573 nan 8.230 nan 0.000 0.427 519 I N 1.973 122.538 120.570 -0.009 0.000 2.499 519 I HA 0.405 4.579 4.170 0.007 0.000 0.288 519 I C -1.121 175.043 176.117 0.078 0.000 1.048 519 I CA -0.513 60.826 61.300 0.064 0.000 1.062 519 I CB 2.061 40.084 38.000 0.039 0.000 1.238 519 I HN 0.612 nan 8.210 nan 0.000 0.426 520 H N 6.079 125.168 119.070 0.031 0.000 3.042 520 H HA 0.364 4.925 4.556 0.007 0.000 0.345 520 H C -2.812 172.534 175.328 0.031 0.000 1.052 520 H CA -1.299 54.760 56.048 0.019 0.000 1.311 520 H CB 3.013 32.770 29.762 -0.009 0.000 1.810 520 H HN 0.236 nan 8.280 nan 0.000 0.505 521 P HA 0.007 nan 4.420 nan 0.000 0.276 521 P C 0.232 177.637 177.300 0.174 0.000 1.230 521 P CA -0.174 62.987 63.100 0.101 0.000 0.776 521 P CB 0.957 32.680 31.700 0.038 0.000 0.888 522 Q N 2.775 122.639 119.800 0.107 0.000 2.170 522 Q HA -0.163 4.181 4.340 0.007 0.000 0.203 522 Q C 0.423 176.459 176.000 0.060 0.000 0.976 522 Q CA 1.539 57.388 55.803 0.077 0.000 0.858 522 Q CB -0.495 28.267 28.738 0.041 0.000 0.907 522 Q HN 0.286 nan 8.270 nan 0.000 0.433 523 N N 1.335 120.067 118.700 0.053 0.000 2.279 523 N HA 0.044 4.789 4.740 0.007 0.000 0.226 523 N C -0.829 174.699 175.510 0.030 0.000 1.126 523 N CA 0.051 53.118 53.050 0.029 0.000 0.846 523 N CB 0.202 38.697 38.487 0.014 0.000 1.050 523 N HN 0.301 nan 8.380 nan 0.000 0.502 524 D N 1.044 121.487 120.400 0.072 0.000 2.472 524 D HA -0.025 4.620 4.640 0.007 0.000 0.248 524 D C 0.807 177.097 176.300 -0.017 0.000 1.174 524 D CA 0.408 54.448 54.000 0.068 0.000 0.883 524 D CB 0.761 41.655 40.800 0.155 0.000 1.149 524 D HN 0.197 nan 8.370 nan 0.000 0.488 525 S N 3.276 118.918 115.700 -0.097 0.000 2.539 525 S HA 0.161 4.635 4.470 0.007 0.000 0.221 525 S C 1.351 175.704 174.600 -0.413 0.000 0.987 525 S CA -0.400 57.691 58.200 -0.181 0.000 0.929 525 S CB 0.583 63.700 63.200 -0.138 0.000 0.832 525 S HN 0.423 nan 8.310 nan 0.000 0.492 526 R N 1.831 122.010 120.500 -0.535 0.000 2.062 526 R HA 0.119 4.463 4.340 0.007 0.000 0.218 526 R C 0.357 176.273 176.300 -0.641 0.000 1.161 526 R CA 1.336 56.808 56.100 -1.047 0.000 0.994 526 R CB -0.487 29.162 30.300 -1.086 0.000 0.888 526 R HN 0.509 nan 8.270 nan 0.000 0.442 527 T N 1.435 115.781 114.554 -0.347 0.000 3.042 527 T HA 0.345 4.700 4.350 0.007 0.000 0.356 527 T C -2.539 172.213 174.700 0.088 0.000 1.233 527 T CA -2.236 59.803 62.100 -0.102 0.000 1.038 527 T CB 1.475 70.342 68.868 -0.002 0.000 1.089 527 T HN -0.059 nan 8.240 nan 0.000 0.531 528 P HA 0.042 nan 4.420 nan 0.000 0.267 528 P C 0.816 178.060 177.300 -0.093 0.000 1.200 528 P CA -0.605 62.486 63.100 -0.015 0.000 0.772 528 P CB 1.124 32.786 31.700 -0.064 0.000 0.855 529 L N 3.569 124.699 121.223 -0.156 0.000 2.109 529 L HA -0.090 4.255 4.340 0.007 0.000 0.207 529 L C 2.623 179.331 176.870 -0.271 0.000 1.086 529 L CA 1.851 56.462 54.840 -0.381 0.000 0.760 529 L CB -1.090 40.849 42.059 -0.199 0.000 0.910 529 L HN 0.332 nan 8.230 nan 0.000 0.437 530 K N -0.236 120.071 120.400 -0.155 0.000 2.052 530 K HA -0.204 4.120 4.320 0.007 0.000 0.215 530 K C -0.550 175.974 176.600 -0.127 0.000 1.053 530 K CA 2.343 58.560 56.287 -0.116 0.000 0.934 530 K CB -1.095 31.360 32.500 -0.076 0.000 0.717 530 K HN 0.297 nan 8.250 nan 0.000 0.450 531 P HA -0.154 nan 4.420 nan 0.000 0.218 531 P C 1.092 178.297 177.300 -0.160 0.000 1.149 531 P CA 0.825 63.850 63.100 -0.125 0.000 0.817 531 P CB 0.103 31.735 31.700 -0.114 0.000 0.785 532 L N -1.178 119.912 121.223 -0.222 0.000 2.141 532 L HA -0.098 4.246 4.340 0.007 0.000 0.209 532 L C 2.222 178.974 176.870 -0.198 0.000 1.094 532 L CA 1.616 56.311 54.840 -0.241 0.000 0.763 532 L CB -1.374 40.453 42.059 -0.388 0.000 0.908 532 L HN 0.078 nan 8.230 nan 0.000 0.437 533 L N -0.817 120.304 121.223 -0.171 0.000 2.093 533 L HA -0.217 4.127 4.340 0.007 0.000 0.208 533 L C 2.735 179.534 176.870 -0.118 0.000 1.085 533 L CA 0.997 55.764 54.840 -0.122 0.000 0.755 533 L CB -0.494 41.509 42.059 -0.095 0.000 0.904 533 L HN 0.283 nan 8.230 nan 0.000 0.435 534 R N 0.459 120.888 120.500 -0.118 0.000 2.092 534 R HA -0.197 4.147 4.340 0.007 0.000 0.231 534 R C 2.337 178.556 176.300 -0.136 0.000 1.119 534 R CA 1.250 57.287 56.100 -0.106 0.000 0.970 534 R CB -0.183 30.062 30.300 -0.091 0.000 0.864 534 R HN 0.197 nan 8.270 nan 0.000 0.440 535 L N 0.873 121.996 121.223 -0.168 0.000 2.046 535 L HA -0.110 4.234 4.340 0.007 0.000 0.208 535 L C 2.071 178.753 176.870 -0.313 0.000 1.077 535 L CA 1.775 56.488 54.840 -0.211 0.000 0.747 535 L CB -0.320 41.612 42.059 -0.213 0.000 0.896 535 L HN 0.245 nan 8.230 nan 0.000 0.432 536 M N -0.850 118.549 119.600 -0.336 0.000 2.108 536 M HA -0.127 4.358 4.480 0.007 0.000 0.261 536 M C 2.181 178.302 176.300 -0.298 0.000 1.066 536 M CA 1.721 56.723 55.300 -0.496 0.000 1.107 536 M CB -1.170 31.307 32.600 -0.205 0.000 1.356 536 M HN 0.470 nan 8.290 nan 0.000 0.406 537 G N 0.086 108.793 108.800 -0.155 0.000 2.418 537 G HA2 -0.192 3.772 3.960 0.007 0.000 0.217 537 G HA3 -0.192 3.772 3.960 0.007 0.000 0.217 537 G C 1.479 176.324 174.900 -0.092 0.000 1.158 537 G CA 0.720 45.771 45.100 -0.082 0.000 0.771 537 G HN 0.344 nan 8.290 nan 0.000 0.545 538 E N 0.469 120.590 120.200 -0.132 0.000 2.047 538 E HA -0.007 4.347 4.350 0.007 0.000 0.191 538 E C 2.752 179.282 176.600 -0.116 0.000 0.987 538 E CA 0.382 56.717 56.400 -0.109 0.000 0.799 538 E CB -0.435 29.197 29.700 -0.114 0.000 0.752 538 E HN 0.441 nan 8.360 nan 0.000 0.449 539 L N 0.585 121.675 121.223 -0.222 0.000 2.042 539 L HA -0.210 4.134 4.340 0.007 0.000 0.210 539 L C 2.573 179.438 176.870 -0.008 0.000 1.076 539 L CA 0.700 55.418 54.840 -0.203 0.000 0.749 539 L CB -0.522 41.193 42.059 -0.575 0.000 0.893 539 L HN 0.145 nan 8.230 nan 0.000 0.432 540 L N 0.286 121.530 121.223 0.034 0.000 1.994 540 L HA -0.123 4.221 4.340 0.007 0.000 0.208 540 L C 2.638 179.555 176.870 0.080 0.000 1.071 540 L CA 2.099 57.047 54.840 0.179 0.000 0.745 540 L CB -0.877 41.295 42.059 0.189 0.000 0.892 540 L HN 0.131 nan 8.230 nan 0.000 0.431 541 A N -0.431 122.406 122.820 0.029 0.000 1.978 541 A HA -0.193 4.132 4.320 0.007 0.000 0.220 541 A C 2.239 179.833 177.584 0.017 0.000 1.170 541 A CA 1.760 53.806 52.037 0.016 0.000 0.636 541 A CB -0.557 18.441 19.000 -0.004 0.000 0.810 541 A HN 0.564 nan 8.150 nan 0.000 0.448 542 R N -1.285 119.224 120.500 0.014 0.000 2.388 542 R HA 0.275 4.619 4.340 0.007 0.000 0.247 542 R C 1.013 177.335 176.300 0.035 0.000 0.931 542 R CA 0.423 56.532 56.100 0.016 0.000 1.082 542 R CB -0.068 30.233 30.300 0.002 0.000 1.135 542 R HN 0.596 nan 8.270 nan 0.000 0.525 543 G N 1.964 110.797 108.800 0.055 0.000 2.249 543 G HA2 -0.285 3.679 3.960 0.007 0.000 0.273 543 G HA3 -0.285 3.679 3.960 0.007 0.000 0.273 543 G C -0.211 174.741 174.900 0.086 0.000 1.036 543 G CA 0.183 45.323 45.100 0.067 0.000 0.824 543 G HN 0.092 nan 8.290 nan 0.000 0.504 544 K N 0.366 120.834 120.400 0.113 0.000 2.144 544 K HA 0.477 4.801 4.320 0.007 0.000 0.270 544 K C 0.592 177.321 176.600 0.216 0.000 1.005 544 K CA -0.321 56.045 56.287 0.132 0.000 0.932 544 K CB 0.865 33.423 32.500 0.096 0.000 1.021 544 K HN 0.099 nan 8.250 nan 0.000 0.462 545 T N 3.478 118.141 114.554 0.181 0.000 2.851 545 T HA 0.427 4.781 4.350 0.007 0.000 0.298 545 T C -0.202 174.677 174.700 0.299 0.000 0.977 545 T CA -0.058 62.152 62.100 0.184 0.000 1.126 545 T CB -0.338 68.616 68.868 0.143 0.000 0.916 545 T HN 0.472 nan 8.240 nan 0.000 0.529 546 F N 0.717 120.697 119.950 0.050 0.000 2.719 546 F HA 0.743 5.274 4.527 0.007 0.000 0.309 546 F C -1.158 174.642 175.800 0.000 0.000 1.138 546 F CA -1.191 56.821 58.000 0.020 0.000 0.943 546 F CB 1.541 40.528 39.000 -0.022 0.000 1.304 546 F HN 0.473 nan 8.300 nan 0.000 0.445 547 E N 1.882 122.112 120.200 0.050 0.000 2.312 547 E HA 0.840 5.195 4.350 0.007 0.000 0.267 547 E C -1.843 174.734 176.600 -0.037 0.000 0.894 547 E CA -1.302 55.028 56.400 -0.118 0.000 0.773 547 E CB 2.366 32.047 29.700 -0.031 0.000 1.241 547 E HN 1.184 nan 8.360 nan 0.000 0.432 548 A N 3.354 126.044 122.820 -0.218 0.000 2.547 548 A HA 0.564 4.888 4.320 0.007 0.000 0.297 548 A C -1.760 175.534 177.584 -0.484 0.000 1.056 548 A CA -0.654 51.290 52.037 -0.155 0.000 0.688 548 A CB 1.393 20.439 19.000 0.076 0.000 1.282 548 A HN 0.675 nan 8.150 nan 0.000 0.400 549 H N 1.774 120.862 119.070 0.030 0.000 2.924 549 H HA 0.417 4.977 4.556 0.007 0.000 0.333 549 H C -1.288 174.068 175.328 0.047 0.000 0.979 549 H CA -0.262 55.805 56.048 0.032 0.000 1.326 549 H CB 1.517 31.294 29.762 0.025 0.000 1.600 549 H HN 0.542 nan 8.280 nan 0.000 0.520 550 I N 4.652 125.295 120.570 0.123 0.000 2.339 550 I HA 0.153 4.327 4.170 0.007 0.000 0.290 550 I C 0.084 176.258 176.117 0.095 0.000 0.994 550 I CA -0.799 60.563 61.300 0.104 0.000 1.191 550 I CB 1.417 39.452 38.000 0.059 0.000 1.343 550 I HN 0.307 nan 8.210 nan 0.000 0.458 551 I N 8.541 129.166 120.570 0.093 0.000 2.371 551 I HA 0.288 4.462 4.170 0.007 0.000 0.290 551 I C -1.988 174.160 176.117 0.052 0.000 1.028 551 I CA -2.642 58.698 61.300 0.066 0.000 1.345 551 I CB 0.373 38.406 38.000 0.055 0.000 1.407 551 I HN 0.274 nan 8.210 nan 0.000 0.501 552 P HA 0.141 nan 4.420 nan 0.000 0.281 552 P C -0.534 176.781 177.300 0.025 0.000 1.249 552 P CA -0.149 62.969 63.100 0.030 0.000 0.810 552 P CB 0.748 32.463 31.700 0.025 0.000 1.008 553 D N -1.162 119.251 120.400 0.022 0.000 2.692 553 D HA -0.156 4.488 4.640 0.007 0.000 0.233 553 D C 0.024 176.336 176.300 0.020 0.000 1.172 553 D CA 1.545 55.556 54.000 0.018 0.000 0.636 553 D CB -1.392 39.416 40.800 0.014 0.000 1.028 553 D HN 0.640 nan 8.370 nan 0.000 0.419 554 A N -1.029 121.807 122.820 0.026 0.000 2.594 554 A HA 0.872 5.196 4.320 0.007 0.000 0.291 554 A C 0.428 178.032 177.584 0.034 0.000 1.105 554 A CA -0.021 52.032 52.037 0.027 0.000 0.694 554 A CB 2.096 21.111 19.000 0.025 0.000 1.291 554 A HN 0.280 nan 8.150 nan 0.000 0.410 555 G N -1.368 107.452 108.800 0.034 0.000 3.262 555 G HA2 0.443 4.407 3.960 0.007 0.000 0.229 555 G HA3 0.443 4.407 3.960 0.007 0.000 0.229 555 G C 0.319 175.254 174.900 0.058 0.000 1.280 555 G CA 0.127 45.257 45.100 0.051 0.000 0.951 555 G HN 0.872 nan 8.290 nan 0.000 0.589 556 H N -0.392 118.664 119.070 -0.023 0.000 2.421 556 H HA 0.260 4.821 4.556 0.007 0.000 0.298 556 H C 1.657 176.989 175.328 0.006 0.000 1.087 556 H CA 1.565 57.599 56.048 -0.023 0.000 1.330 556 H CB 0.050 29.790 29.762 -0.036 0.000 1.388 556 H HN 0.470 nan 8.280 nan 0.000 0.526 557 A N 1.302 124.191 122.820 0.116 0.000 2.366 557 A HA 0.329 4.653 4.320 0.007 0.000 0.322 557 A C -0.513 177.075 177.584 0.005 0.000 1.397 557 A CA -0.556 51.519 52.037 0.064 0.000 0.984 557 A CB -0.270 18.801 19.000 0.118 0.000 1.149 557 A HN 0.222 nan 8.150 nan 0.000 0.540 558 I N 3.308 123.849 120.570 -0.047 0.000 2.496 558 I HA 0.100 4.274 4.170 0.007 0.000 0.285 558 I C 0.540 176.586 176.117 -0.119 0.000 1.080 558 I CA 0.038 61.300 61.300 -0.063 0.000 1.404 558 I CB 0.663 38.619 38.000 -0.073 0.000 1.403 558 I HN 0.835 nan 8.210 nan 0.000 0.539 559 N N 3.038 121.702 118.700 -0.060 0.000 2.194 559 N HA 0.017 4.761 4.740 0.007 0.000 0.231 559 N C -0.172 175.394 175.510 0.093 0.000 1.247 559 N CA -0.324 52.681 53.050 -0.075 0.000 0.884 559 N CB 0.645 39.109 38.487 -0.039 0.000 1.146 559 N HN 0.594 nan 8.380 nan 0.000 0.516 560 T N -3.400 111.253 114.554 0.165 0.000 2.906 560 T HA 0.457 4.812 4.350 0.007 0.000 0.295 560 T C 1.076 175.952 174.700 0.294 0.000 1.061 560 T CA -0.742 61.500 62.100 0.237 0.000 1.000 560 T CB 1.792 70.717 68.868 0.095 0.000 1.103 560 T HN -0.130 nan 8.240 nan 0.000 0.486 561 M N 0.621 120.310 119.600 0.149 0.000 2.159 561 M HA -0.037 4.447 4.480 0.007 0.000 0.263 561 M C 2.251 178.559 176.300 0.012 0.000 1.063 561 M CA 1.647 56.953 55.300 0.011 0.000 1.110 561 M CB -0.396 32.071 32.600 -0.223 0.000 1.374 561 M HN 0.803 nan 8.290 nan 0.000 0.411 562 E N 0.315 120.519 120.200 0.006 0.000 2.077 562 E HA -0.202 4.153 4.350 0.007 0.000 0.193 562 E C 1.462 178.061 176.600 -0.001 0.000 0.989 562 E CA 1.125 57.521 56.400 -0.008 0.000 0.800 562 E CB -0.031 29.665 29.700 -0.006 0.000 0.746 562 E HN 0.451 nan 8.360 nan 0.000 0.452 563 D N 0.019 120.432 120.400 0.022 0.000 2.224 563 D HA -0.070 4.574 4.640 0.007 0.000 0.205 563 D C 1.751 178.048 176.300 -0.006 0.000 0.965 563 D CA 0.893 54.899 54.000 0.011 0.000 0.852 563 D CB -0.109 40.702 40.800 0.018 0.000 0.947 563 D HN 0.143 nan 8.370 nan 0.000 0.494 564 A N 0.545 123.375 122.820 0.016 0.000 1.902 564 A HA -0.125 4.199 4.320 0.007 0.000 0.217 564 A C 2.470 179.996 177.584 -0.096 0.000 1.181 564 A CA 1.053 53.072 52.037 -0.031 0.000 0.623 564 A CB -0.641 18.398 19.000 0.066 0.000 0.818 564 A HN 0.142 nan 8.150 nan 0.000 0.443 565 V N 0.208 120.075 119.914 -0.078 0.000 2.358 565 V HA -0.259 3.865 4.120 0.007 0.000 0.246 565 V C 2.347 178.369 176.094 -0.121 0.000 1.047 565 V CA 2.294 64.526 62.300 -0.113 0.000 1.035 565 V CB -0.686 31.081 31.823 -0.093 0.000 0.658 565 V HN 0.550 nan 8.190 nan 0.000 0.452 566 K N 0.308 120.661 120.400 -0.079 0.000 2.211 566 K HA -0.087 4.237 4.320 0.007 0.000 0.203 566 K C 1.908 178.477 176.600 -0.051 0.000 1.050 566 K CA 1.759 58.006 56.287 -0.066 0.000 0.945 566 K CB -0.238 32.248 32.500 -0.023 0.000 0.732 566 K HN 0.716 nan 8.250 nan 0.000 0.451 567 I N -2.619 117.931 120.570 -0.034 0.000 3.645 567 I HA 0.029 4.203 4.170 0.007 0.000 0.300 567 I C 1.712 177.872 176.117 0.072 0.000 1.260 567 I CA 0.332 61.661 61.300 0.048 0.000 1.365 567 I CB 0.183 38.230 38.000 0.079 0.000 1.077 567 I HN -0.093 nan 8.210 nan 0.000 0.439 568 L N 0.198 121.375 121.223 -0.076 0.000 2.347 568 L HA 0.285 4.630 4.340 0.007 0.000 0.196 568 L C 2.013 178.800 176.870 -0.138 0.000 1.072 568 L CA 1.142 55.922 54.840 -0.101 0.000 0.817 568 L CB -0.682 41.199 42.059 -0.297 0.000 1.029 568 L HN 0.240 nan 8.230 nan 0.000 0.478 569 L N 0.944 122.021 121.223 -0.243 0.000 2.034 569 L HA -0.174 4.171 4.340 0.007 0.000 0.217 569 L C -0.659 175.904 176.870 -0.513 0.000 1.077 569 L CA 2.477 57.050 54.840 -0.445 0.000 0.769 569 L CB -1.682 40.067 42.059 -0.517 0.000 0.890 569 L HN 0.205 nan 8.230 nan 0.000 0.435 570 P HA -0.132 nan 4.420 nan 0.000 0.217 570 P C 1.458 178.748 177.300 -0.018 0.000 1.150 570 P CA 1.879 64.812 63.100 -0.278 0.000 0.832 570 P CB -0.187 31.192 31.700 -0.535 0.000 0.787 571 A N -0.646 122.175 122.820 0.002 0.000 1.898 571 A HA -0.120 4.204 4.320 0.007 0.000 0.216 571 A C 2.260 179.910 177.584 0.110 0.000 1.181 571 A CA 1.674 53.767 52.037 0.093 0.000 0.620 571 A CB -1.606 17.483 19.000 0.148 0.000 0.819 571 A HN 0.038 nan 8.150 nan 0.000 0.442 572 V N -0.961 118.978 119.914 0.042 0.000 2.453 572 V HA -0.158 3.966 4.120 0.007 0.000 0.247 572 V C 2.306 178.548 176.094 0.248 0.000 1.048 572 V CA 1.428 63.764 62.300 0.060 0.000 1.049 572 V CB -0.993 30.846 31.823 0.026 0.000 0.672 572 V HN 0.492 nan 8.190 nan 0.000 0.457 573 F N -0.122 119.895 119.950 0.112 0.000 2.134 573 F HA -0.137 4.394 4.527 0.007 0.000 0.299 573 F C 2.261 178.174 175.800 0.188 0.000 1.097 573 F CA 1.095 59.203 58.000 0.181 0.000 1.264 573 F CB -1.178 37.980 39.000 0.262 0.000 1.001 573 F HN 0.244 nan 8.300 nan 0.000 0.479 574 F N 0.453 120.549 119.950 0.243 0.000 2.146 574 F HA -0.165 4.367 4.527 0.007 0.000 0.298 574 F C 2.086 177.903 175.800 0.030 0.000 1.096 574 F CA 1.505 59.586 58.000 0.135 0.000 1.275 574 F CB -0.530 38.531 39.000 0.101 0.000 1.008 574 F HN -0.151 nan 8.300 nan 0.000 0.480 575 L N -0.285 120.910 121.223 -0.045 0.000 2.109 575 L HA -0.109 4.235 4.340 0.007 0.000 0.207 575 L C 2.785 179.592 176.870 -0.106 0.000 1.086 575 L CA 0.991 55.613 54.840 -0.364 0.000 0.760 575 L CB -1.212 40.460 42.059 -0.645 0.000 0.910 575 L HN 0.223 nan 8.230 nan 0.000 0.437 576 A N -0.335 122.539 122.820 0.091 0.000 1.933 576 A HA -0.196 4.128 4.320 0.007 0.000 0.218 576 A C 2.361 179.919 177.584 -0.043 0.000 1.175 576 A CA 2.337 54.445 52.037 0.118 0.000 0.628 576 A CB -0.825 18.217 19.000 0.069 0.000 0.814 576 A HN 0.360 nan 8.150 nan 0.000 0.444 577 T N -0.353 114.153 114.554 -0.081 0.000 2.777 577 T HA -0.117 4.237 4.350 0.007 0.000 0.266 577 T C 2.107 176.734 174.700 -0.121 0.000 1.040 577 T CA 1.418 63.459 62.100 -0.099 0.000 1.141 577 T CB -0.205 68.640 68.868 -0.038 0.000 0.868 577 T HN 0.412 nan 8.240 nan 0.000 0.444 578 Q N 0.825 120.490 119.800 -0.224 0.000 2.124 578 Q HA -0.012 4.332 4.340 0.007 0.000 0.202 578 Q C 2.360 178.382 176.000 0.037 0.000 0.977 578 Q CA 1.148 56.856 55.803 -0.158 0.000 0.850 578 Q CB -0.348 28.227 28.738 -0.272 0.000 0.901 578 Q HN 0.446 nan 8.270 nan 0.000 0.429 579 R N 1.006 121.533 120.500 0.045 0.000 2.152 579 R HA -0.127 4.217 4.340 0.007 0.000 0.232 579 R C 1.454 177.772 176.300 0.031 0.000 1.117 579 R CA 1.105 57.272 56.100 0.111 0.000 0.981 579 R CB 0.133 30.448 30.300 0.026 0.000 0.870 579 R HN 0.298 nan 8.270 nan 0.000 0.451 580 E N 0.231 120.423 120.200 -0.013 0.000 2.478 580 E HA -0.056 4.298 4.350 0.007 0.000 0.198 580 E C -0.235 176.363 176.600 -0.004 0.000 1.046 580 E CA 0.078 56.463 56.400 -0.025 0.000 0.870 580 E CB 0.176 29.849 29.700 -0.045 0.000 0.818 580 E HN 0.151 nan 8.360 nan 0.000 0.527 581 R N 0.000 120.511 120.500 0.018 0.000 2.786 581 R HA 0.000 4.344 4.340 0.007 0.000 0.208 581 R CA 0.000 56.117 56.100 0.027 0.000 0.921 581 R CB 0.000 30.310 30.300 0.017 0.000 0.687 581 R HN 0.000 nan 8.270 nan 0.000 0.535