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 2z26_1_B DATA FIRST_RESID 4 DATA SEQUENCE SQVLKIRRPD DWHLHLRDGD MLKTVVPYTS EIYGRAIVMP NLAPPVTTVE DATA SEQUENCE AAVAYRQRIL DAVPAGHDFT PLMTCYLTDS LDPNELERGF NEGVFTAAXL DATA SEQUENCE YPAXXXXXXX XGVTSVDAIM PVLERMEKIG MPLLVHGEVT HADIDIFDRE DATA SEQUENCE ARFIESVMEP LRQRLTALKV VFEHITTKDA ADYVRDGNER LAATITPQHL DATA SEQUENCE MFNRNHMLVG GVRPHLYCLP ILKRNIHQQA LRELVASGFN RVFLGTDSAP DATA SEQUENCE HARHRKESSC GCAGCFNAPT ALGSYATVFE EMNALQHFEA FCSVNGPQFY DATA SEQUENCE GLPVNDTFIE LVREEQQVAE SIALTDDTLV PFLAGETVRW SVK 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.564 174.600 -0.061 0.000 1.055 4 S CA 0.000 58.150 58.200 -0.083 0.000 1.107 4 S CB 0.000 63.133 63.200 -0.113 0.000 0.593 5 Q N 1.540 121.289 119.800 -0.085 0.000 2.330 5 Q HA 0.375 4.714 4.340 -0.001 0.000 0.279 5 Q C -1.092 174.963 176.000 0.090 0.000 1.024 5 Q CA 0.247 56.056 55.803 0.010 0.000 0.900 5 Q CB 0.438 29.204 28.738 0.046 0.000 1.221 5 Q HN 0.527 nan 8.270 nan 0.000 0.396 6 V N 5.899 125.907 119.914 0.158 0.000 2.495 6 V HA 0.406 4.525 4.120 -0.001 0.000 0.298 6 V C -0.382 175.846 176.094 0.223 0.000 1.031 6 V CA -0.780 61.644 62.300 0.207 0.000 0.871 6 V CB 1.662 33.554 31.823 0.116 0.000 0.988 6 V HN 0.738 nan 8.190 nan 0.000 0.432 7 L N 4.701 126.074 121.223 0.249 0.000 2.319 7 L HA 0.577 4.917 4.340 -0.001 0.000 0.281 7 L C -0.207 176.733 176.870 0.116 0.000 1.005 7 L CA -0.534 54.383 54.840 0.128 0.000 0.828 7 L CB 1.353 43.394 42.059 -0.031 0.000 1.227 7 L HN 0.663 nan 8.230 nan 0.000 0.415 8 K N 6.635 127.091 120.400 0.094 0.000 2.240 8 K HA 0.564 4.884 4.320 -0.001 0.000 0.271 8 K C -0.839 175.830 176.600 0.115 0.000 1.018 8 K CA -0.528 55.818 56.287 0.098 0.000 0.874 8 K CB 1.036 33.571 32.500 0.059 0.000 1.098 8 K HN 0.647 nan 8.250 nan 0.000 0.458 9 I N -0.077 120.577 120.570 0.140 0.000 2.892 9 I HA 0.509 4.679 4.170 -0.001 0.000 0.306 9 I C -0.355 175.880 176.117 0.197 0.000 1.078 9 I CA -1.436 59.941 61.300 0.128 0.000 1.032 9 I CB 1.795 39.802 38.000 0.012 0.000 1.229 9 I HN 0.532 nan 8.210 nan 0.000 0.435 10 R N 2.969 123.575 120.500 0.177 0.000 2.638 10 R HA 0.072 4.412 4.340 -0.001 0.000 0.268 10 R C 0.194 176.393 176.300 -0.168 0.000 1.006 10 R CA -0.176 55.881 56.100 -0.072 0.000 1.088 10 R CB 0.504 30.759 30.300 -0.074 0.000 0.950 10 R HN 0.788 nan 8.270 nan 0.000 0.419 11 R N 5.339 125.669 120.500 -0.282 0.000 2.538 11 R HA 0.038 4.378 4.340 -0.001 0.000 0.282 11 R C -1.983 174.217 176.300 -0.166 0.000 1.009 11 R CA -0.873 55.101 56.100 -0.210 0.000 1.063 11 R CB 0.461 30.630 30.300 -0.219 0.000 0.945 11 R HN 0.482 nan 8.270 nan 0.000 0.414 12 P HA 0.184 nan 4.420 nan 0.000 0.277 12 P C -1.200 176.132 177.300 0.053 0.000 1.271 12 P CA -0.239 62.821 63.100 -0.068 0.000 0.795 12 P CB 1.046 32.693 31.700 -0.089 0.000 1.101 13 D N -0.746 119.704 120.400 0.083 0.000 2.523 13 D HA 0.253 4.892 4.640 -0.001 0.000 0.236 13 D C -1.139 174.969 176.300 -0.322 0.000 1.094 13 D CA 0.041 53.949 54.000 -0.153 0.000 0.942 13 D CB 1.803 42.241 40.800 -0.603 0.000 1.447 13 D HN 0.305 nan 8.370 nan 0.000 0.479 14 D N 0.413 120.429 120.400 -0.640 0.000 2.453 14 D HA 0.191 4.831 4.640 -0.001 0.000 0.238 14 D C -0.350 175.616 176.300 -0.557 0.000 1.088 14 D CA -0.572 53.076 54.000 -0.587 0.000 0.854 14 D CB 0.372 40.722 40.800 -0.750 0.000 1.076 14 D HN 0.343 nan 8.370 nan 0.000 0.533 15 W N 2.175 123.465 121.300 -0.017 0.000 3.405 15 W HA 0.169 4.828 4.660 -0.001 0.000 0.300 15 W C 0.537 177.139 176.519 0.139 0.000 1.286 15 W CA -0.371 57.000 57.345 0.044 0.000 1.762 15 W CB -0.107 29.477 29.460 0.207 0.000 1.087 15 W HN 0.501 nan 8.180 nan 0.000 0.703 16 H N 0.065 119.183 119.070 0.080 0.000 3.289 16 H HA 0.360 4.916 4.556 -0.001 0.000 0.330 16 H C -1.807 173.516 175.328 -0.009 0.000 1.187 16 H CA -0.887 55.193 56.048 0.053 0.000 1.601 16 H CB 0.462 30.287 29.762 0.104 0.000 1.997 16 H HN -0.109 nan 8.280 nan 0.000 0.489 17 L N 4.777 126.047 121.223 0.079 0.000 2.422 17 L HA 0.444 4.783 4.340 -0.001 0.000 0.264 17 L C -1.510 175.306 176.870 -0.091 0.000 0.984 17 L CA -0.465 54.409 54.840 0.055 0.000 0.819 17 L CB 1.736 43.800 42.059 0.008 0.000 1.330 17 L HN 0.697 nan 8.230 nan 0.000 0.410 18 H N 6.620 125.823 119.070 0.222 0.000 2.541 18 H HA 0.398 4.954 4.556 -0.000 0.000 0.316 18 H C 0.151 175.585 175.328 0.177 0.000 1.043 18 H CA -0.307 55.864 56.048 0.205 0.000 1.232 18 H CB 2.091 31.965 29.762 0.186 0.000 1.406 18 H HN 0.647 nan 8.280 nan 0.000 0.469 19 L N 2.343 123.733 121.223 0.277 0.000 2.616 19 L HA 0.062 4.401 4.340 -0.001 0.000 0.229 19 L C 0.689 177.702 176.870 0.238 0.000 1.110 19 L CA -0.019 54.962 54.840 0.234 0.000 0.884 19 L CB 0.157 42.330 42.059 0.189 0.000 1.115 19 L HN 0.518 nan 8.230 nan 0.000 0.481 20 R N 0.454 121.107 120.500 0.254 0.000 3.840 20 R HA -0.222 4.118 4.340 -0.001 0.000 0.475 20 R C -0.347 176.072 176.300 0.199 0.000 0.241 20 R CA 1.253 57.448 56.100 0.159 0.000 1.492 20 R CB -1.300 29.037 30.300 0.061 0.000 1.021 20 R HN 0.190 nan 8.270 nan 0.000 0.556 21 D N -1.514 118.955 120.400 0.115 0.000 2.677 21 D HA 0.553 5.192 4.640 -0.001 0.000 0.298 21 D C 0.689 177.039 176.300 0.084 0.000 1.250 21 D CA 1.048 55.123 54.000 0.124 0.000 0.888 21 D CB 1.229 42.035 40.800 0.010 0.000 1.397 21 D HN 0.744 nan 8.370 nan 0.000 0.461 22 G N 0.966 109.815 108.800 0.081 0.000 2.596 22 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.295 22 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.295 22 G C 0.704 175.635 174.900 0.051 0.000 1.240 22 G CA 0.900 46.033 45.100 0.055 0.000 0.985 22 G HN 0.564 nan 8.290 nan 0.000 0.555 23 D N -0.197 120.225 120.400 0.036 0.000 2.178 23 D HA 0.008 4.648 4.640 -0.001 0.000 0.202 23 D C 2.480 178.797 176.300 0.029 0.000 0.974 23 D CA 1.522 55.541 54.000 0.031 0.000 0.841 23 D CB -0.183 40.631 40.800 0.024 0.000 0.953 23 D HN 0.407 nan 8.370 nan 0.000 0.478 24 M N -0.062 119.551 119.600 0.021 0.000 2.117 24 M HA -0.137 4.343 4.480 -0.001 0.000 0.262 24 M C 1.920 178.235 176.300 0.025 0.000 1.065 24 M CA 1.022 56.322 55.300 0.000 0.000 1.114 24 M CB 0.007 32.594 32.600 -0.022 0.000 1.361 24 M HN 0.081 nan 8.290 nan 0.000 0.408 25 L N 0.868 122.130 121.223 0.064 0.000 2.013 25 L HA -0.251 4.089 4.340 -0.001 0.000 0.212 25 L C 2.015 178.933 176.870 0.080 0.000 1.073 25 L CA 2.058 56.957 54.840 0.098 0.000 0.753 25 L CB -0.689 41.458 42.059 0.147 0.000 0.890 25 L HN 0.261 nan 8.230 nan 0.000 0.432 26 K N -1.323 119.116 120.400 0.064 0.000 2.103 26 K HA -0.136 4.184 4.320 -0.001 0.000 0.207 26 K C 1.898 178.534 176.600 0.060 0.000 1.048 26 K CA 1.864 58.182 56.287 0.051 0.000 0.930 26 K CB -0.422 32.102 32.500 0.039 0.000 0.716 26 K HN 0.433 nan 8.250 nan 0.000 0.444 27 T N 0.782 115.377 114.554 0.069 0.000 2.812 27 T HA -0.085 4.264 4.350 -0.001 0.000 0.264 27 T C 2.016 176.847 174.700 0.218 0.000 1.042 27 T CA 1.517 63.683 62.100 0.110 0.000 1.140 27 T CB -0.034 68.874 68.868 0.066 0.000 0.870 27 T HN 0.215 nan 8.240 nan 0.000 0.445 28 V N -0.585 119.435 119.914 0.176 0.000 2.992 28 V HA 0.112 4.232 4.120 -0.001 0.000 0.250 28 V C 2.327 178.612 176.094 0.319 0.000 1.090 28 V CA 0.449 62.939 62.300 0.317 0.000 1.101 28 V CB -0.955 30.948 31.823 0.133 0.000 0.743 28 V HN 0.241 nan 8.190 nan 0.000 0.468 29 V N 1.266 121.269 119.914 0.149 0.000 2.282 29 V HA -0.142 3.978 4.120 -0.001 0.000 0.249 29 V C 0.450 176.536 176.094 -0.013 0.000 1.057 29 V CA 3.109 65.430 62.300 0.034 0.000 1.032 29 V CB -1.783 30.041 31.823 0.002 0.000 0.645 29 V HN 0.509 nan 8.190 nan 0.000 0.447 30 P HA -0.146 nan 4.420 nan 0.000 0.219 30 P C 1.229 178.479 177.300 -0.083 0.000 1.146 30 P CA 1.380 64.454 63.100 -0.043 0.000 0.808 30 P CB -0.130 31.491 31.700 -0.132 0.000 0.779 31 Y N -1.084 119.266 120.300 0.084 0.000 2.352 31 Y HA -0.132 4.418 4.550 -0.001 0.000 0.292 31 Y C 2.373 178.304 175.900 0.053 0.000 1.136 31 Y CA 1.441 59.592 58.100 0.085 0.000 1.227 31 Y CB -1.209 37.340 38.460 0.149 0.000 0.991 31 Y HN -0.037 nan 8.280 nan 0.000 0.545 32 T N -1.278 113.347 114.554 0.118 0.000 2.901 32 T HA -0.125 4.225 4.350 -0.001 0.000 0.252 32 T C 2.123 176.732 174.700 -0.151 0.000 1.035 32 T CA 1.383 63.500 62.100 0.028 0.000 1.142 32 T CB -0.415 68.347 68.868 -0.177 0.000 0.869 32 T HN 0.446 nan 8.240 nan 0.000 0.442 33 S N 2.464 117.922 115.700 -0.403 0.000 2.447 33 S HA -0.139 4.330 4.470 -0.001 0.000 0.233 33 S C 1.909 176.314 174.600 -0.325 0.000 1.006 33 S CA 1.170 59.115 58.200 -0.425 0.000 0.957 33 S CB -0.529 62.538 63.200 -0.222 0.000 0.773 33 S HN 0.804 nan 8.310 nan 0.000 0.507 34 E N 0.865 120.810 120.200 -0.425 0.000 2.347 34 E HA 0.015 4.365 4.350 -0.001 0.000 0.196 34 E C 1.676 178.040 176.600 -0.393 0.000 1.008 34 E CA 0.938 56.901 56.400 -0.729 0.000 0.852 34 E CB -0.315 29.128 29.700 -0.428 0.000 0.783 34 E HN 0.661 nan 8.360 nan 0.000 0.505 35 I N -1.049 119.363 120.570 -0.262 0.000 3.570 35 I HA 0.088 4.258 4.170 -0.001 0.000 0.270 35 I C 0.161 176.054 176.117 -0.373 0.000 1.162 35 I CA -0.324 60.768 61.300 -0.346 0.000 1.413 35 I CB 0.405 38.105 38.000 -0.500 0.000 1.437 35 I HN -0.064 nan 8.210 nan 0.000 0.457 36 Y N 0.974 121.237 120.300 -0.062 0.000 2.308 36 Y HA 0.377 4.927 4.550 -0.000 0.000 0.329 36 Y C 1.391 177.333 175.900 0.069 0.000 1.111 36 Y CA -0.264 57.824 58.100 -0.019 0.000 1.179 36 Y CB 1.101 39.554 38.460 -0.011 0.000 1.201 36 Y HN -0.049 nan 8.280 nan 0.000 0.483 37 G N 2.766 111.627 108.800 0.103 0.000 2.394 37 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.215 37 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.215 37 G C 0.381 175.257 174.900 -0.040 0.000 1.165 37 G CA 0.288 45.404 45.100 0.027 0.000 0.784 37 G HN 0.525 nan 8.290 nan 0.000 0.535 38 R N -1.528 118.893 120.500 -0.132 0.000 2.799 38 R HA 0.701 5.041 4.340 -0.001 0.000 0.270 38 R C -1.431 174.668 176.300 -0.335 0.000 1.010 38 R CA -0.472 55.391 56.100 -0.395 0.000 0.916 38 R CB 2.196 32.208 30.300 -0.479 0.000 1.228 38 R HN 0.225 nan 8.270 nan 0.000 0.469 39 A N 1.540 124.133 122.820 -0.378 0.000 2.549 39 A HA 0.505 4.825 4.320 -0.001 0.000 0.297 39 A C -1.128 176.272 177.584 -0.307 0.000 1.061 39 A CA -0.711 51.134 52.037 -0.320 0.000 0.690 39 A CB 1.251 20.262 19.000 0.018 0.000 1.287 39 A HN 0.484 nan 8.150 nan 0.000 0.402 40 I N 2.630 123.027 120.570 -0.289 0.000 2.421 40 I HA 0.155 4.325 4.170 -0.001 0.000 0.291 40 I C -0.175 175.899 176.117 -0.071 0.000 1.089 40 I CA 0.131 61.360 61.300 -0.119 0.000 1.354 40 I CB 0.648 38.651 38.000 0.004 0.000 1.413 40 I HN 0.287 nan 8.210 nan 0.000 0.513 41 V N 7.700 127.597 119.914 -0.029 0.000 2.348 41 V HA 0.254 4.373 4.120 -0.001 0.000 0.270 41 V C 0.746 176.874 176.094 0.057 0.000 1.037 41 V CA -0.680 61.629 62.300 0.015 0.000 0.872 41 V CB 1.179 33.008 31.823 0.009 0.000 1.002 41 V HN 0.577 nan 8.190 nan 0.000 0.464 42 M N 7.735 127.316 119.600 -0.032 0.000 2.226 42 M HA 0.278 4.758 4.480 -0.001 0.000 0.324 42 M C -1.533 174.910 176.300 0.238 0.000 1.112 42 M CA -2.033 53.265 55.300 -0.003 0.000 1.176 42 M CB 0.574 33.007 32.600 -0.278 0.000 1.430 42 M HN 0.330 nan 8.290 nan 0.000 0.462 43 P HA 0.094 nan 4.420 nan 0.000 0.280 43 P C -0.299 177.233 177.300 0.387 0.000 1.431 43 P CA 0.099 63.414 63.100 0.358 0.000 1.058 43 P CB -0.259 31.655 31.700 0.356 0.000 1.521 44 N N 1.345 120.300 118.700 0.425 0.000 3.111 44 N HA 0.041 4.781 4.740 -0.001 0.000 0.302 44 N C 0.092 175.653 175.510 0.085 0.000 1.317 44 N CA -0.056 53.166 53.050 0.285 0.000 1.151 44 N CB -0.831 37.762 38.487 0.177 0.000 1.456 44 N HN 0.169 nan 8.380 nan 0.000 0.547 45 L N -0.200 121.020 121.223 -0.006 0.000 2.475 45 L HA 0.421 4.761 4.340 -0.001 0.000 0.250 45 L C 0.653 177.451 176.870 -0.120 0.000 1.224 45 L CA -0.861 53.920 54.840 -0.100 0.000 0.821 45 L CB 0.324 42.243 42.059 -0.234 0.000 1.141 45 L HN 0.269 nan 8.230 nan 0.000 0.494 46 A N 1.671 124.426 122.820 -0.107 0.000 2.328 46 A HA 0.615 4.935 4.320 -0.001 0.000 0.318 46 A C -2.012 175.516 177.584 -0.094 0.000 1.347 46 A CA -1.071 50.904 52.037 -0.102 0.000 0.842 46 A CB -0.253 18.706 19.000 -0.069 0.000 1.148 46 A HN 0.549 nan 8.150 nan 0.000 0.499 47 P HA 0.511 nan 4.420 nan 0.000 0.276 47 P C -2.913 174.283 177.300 -0.174 0.000 1.244 47 P CA -1.316 61.702 63.100 -0.137 0.000 0.801 47 P CB 0.433 32.070 31.700 -0.105 0.000 1.006 48 P HA 0.021 nan 4.420 nan 0.000 0.272 48 P C -0.340 176.886 177.300 -0.123 0.000 1.240 48 P CA -0.151 62.769 63.100 -0.300 0.000 0.791 48 P CB 0.349 31.532 31.700 -0.862 0.000 0.978 49 V N 2.086 122.005 119.914 0.007 0.000 2.370 49 V HA 0.111 4.231 4.120 -0.001 0.000 0.257 49 V C 1.471 177.672 176.094 0.177 0.000 1.064 49 V CA 0.796 63.167 62.300 0.119 0.000 0.975 49 V CB -0.437 31.516 31.823 0.216 0.000 1.067 49 V HN 0.820 nan 8.190 nan 0.000 0.485 50 T N -0.515 114.127 114.554 0.147 0.000 3.058 50 T HA 0.195 4.544 4.350 -0.001 0.000 0.278 50 T C 0.472 175.296 174.700 0.207 0.000 0.974 50 T CA 0.340 62.527 62.100 0.145 0.000 0.893 50 T CB 0.348 69.265 68.868 0.080 0.000 1.138 50 T HN 0.669 nan 8.240 nan 0.000 0.529 51 T N -1.487 113.231 114.554 0.273 0.000 2.906 51 T HA 0.616 4.966 4.350 -0.001 0.000 0.295 51 T C 1.133 176.008 174.700 0.292 0.000 1.075 51 T CA -0.514 61.747 62.100 0.268 0.000 1.005 51 T CB 1.773 70.724 68.868 0.138 0.000 1.136 51 T HN -0.187 nan 8.240 nan 0.000 0.498 52 V N 1.041 121.039 119.914 0.139 0.000 2.332 52 V HA -0.144 3.976 4.120 -0.001 0.000 0.248 52 V C 2.774 178.821 176.094 -0.079 0.000 1.055 52 V CA 2.389 64.600 62.300 -0.148 0.000 1.038 52 V CB -0.926 30.813 31.823 -0.139 0.000 0.651 52 V HN 1.082 nan 8.190 nan 0.000 0.450 53 E N 0.223 120.423 120.200 -0.000 0.000 2.058 53 E HA -0.247 4.103 4.350 -0.001 0.000 0.194 53 E C 2.244 178.864 176.600 0.034 0.000 0.997 53 E CA 1.477 57.883 56.400 0.009 0.000 0.801 53 E CB -0.264 29.449 29.700 0.022 0.000 0.746 53 E HN 0.573 nan 8.360 nan 0.000 0.450 54 A N 0.961 123.821 122.820 0.067 0.000 1.902 54 A HA -0.084 4.235 4.320 -0.001 0.000 0.217 54 A C 2.358 180.027 177.584 0.142 0.000 1.181 54 A CA 1.750 53.842 52.037 0.092 0.000 0.623 54 A CB -0.707 18.349 19.000 0.094 0.000 0.818 54 A HN 0.414 nan 8.150 nan 0.000 0.443 55 A N -0.595 122.313 122.820 0.147 0.000 1.898 55 A HA 0.036 4.356 4.320 -0.001 0.000 0.216 55 A C 2.213 179.843 177.584 0.078 0.000 1.181 55 A CA 1.657 53.798 52.037 0.172 0.000 0.620 55 A CB -0.879 18.179 19.000 0.096 0.000 0.819 55 A HN 0.362 nan 8.150 nan 0.000 0.442 56 V N -0.090 119.821 119.914 -0.005 0.000 2.343 56 V HA -0.266 3.854 4.120 -0.001 0.000 0.247 56 V C 3.052 179.164 176.094 0.031 0.000 1.051 56 V CA 2.016 64.306 62.300 -0.016 0.000 1.036 56 V CB -1.190 30.609 31.823 -0.041 0.000 0.654 56 V HN 0.615 nan 8.190 nan 0.000 0.451 57 A N -1.033 121.825 122.820 0.064 0.000 1.898 57 A HA -0.246 4.073 4.320 -0.001 0.000 0.216 57 A C 2.203 179.878 177.584 0.151 0.000 1.181 57 A CA 1.918 54.006 52.037 0.084 0.000 0.620 57 A CB -0.750 18.297 19.000 0.078 0.000 0.819 57 A HN 0.592 nan 8.150 nan 0.000 0.442 58 Y N 0.675 120.994 120.300 0.032 0.000 2.181 58 Y HA -0.188 4.361 4.550 -0.000 0.000 0.288 58 Y C 2.452 178.380 175.900 0.047 0.000 1.146 58 Y CA 1.818 59.947 58.100 0.048 0.000 1.164 58 Y CB -0.652 37.849 38.460 0.069 0.000 0.982 58 Y HN 0.374 nan 8.280 nan 0.000 0.515 59 R N -0.157 120.331 120.500 -0.020 0.000 2.091 59 R HA -0.258 4.082 4.340 -0.001 0.000 0.238 59 R C 2.312 178.571 176.300 -0.068 0.000 1.136 59 R CA 1.962 57.990 56.100 -0.120 0.000 0.959 59 R CB -0.316 29.937 30.300 -0.079 0.000 0.856 59 R HN 0.312 nan 8.270 nan 0.000 0.437 60 Q N 0.601 120.394 119.800 -0.012 0.000 2.119 60 Q HA -0.099 4.241 4.340 -0.001 0.000 0.201 60 Q C 1.928 177.939 176.000 0.018 0.000 0.972 60 Q CA 1.737 57.541 55.803 0.002 0.000 0.847 60 Q CB -0.012 28.733 28.738 0.013 0.000 0.903 60 Q HN 0.335 nan 8.270 nan 0.000 0.433 61 R N -0.447 120.083 120.500 0.049 0.000 2.096 61 R HA -0.086 4.253 4.340 -0.001 0.000 0.235 61 R C 2.308 178.633 176.300 0.042 0.000 1.127 61 R CA 1.499 57.642 56.100 0.072 0.000 0.968 61 R CB -0.431 29.962 30.300 0.154 0.000 0.861 61 R HN 0.343 nan 8.270 nan 0.000 0.440 62 I N 0.892 121.449 120.570 -0.022 0.000 2.142 62 I HA -0.294 3.875 4.170 -0.001 0.000 0.240 62 I C 2.270 178.412 176.117 0.041 0.000 1.078 62 I CA 1.341 62.628 61.300 -0.021 0.000 1.343 62 I CB -0.287 37.642 38.000 -0.118 0.000 1.046 62 I HN 0.114 nan 8.210 nan 0.000 0.405 63 L N 0.296 121.534 121.223 0.025 0.000 2.079 63 L HA -0.251 4.089 4.340 -0.001 0.000 0.210 63 L C 2.071 178.960 176.870 0.032 0.000 1.081 63 L CA 1.150 56.014 54.840 0.041 0.000 0.752 63 L CB -0.766 41.297 42.059 0.008 0.000 0.896 63 L HN 0.287 nan 8.230 nan 0.000 0.433 64 D N 0.323 120.737 120.400 0.023 0.000 2.182 64 D HA -0.153 4.486 4.640 -0.001 0.000 0.201 64 D C 2.010 178.319 176.300 0.014 0.000 0.986 64 D CA 1.490 55.500 54.000 0.017 0.000 0.847 64 D CB 0.062 40.875 40.800 0.022 0.000 0.942 64 D HN 0.352 nan 8.370 nan 0.000 0.467 65 A N 0.144 122.978 122.820 0.023 0.000 2.275 65 A HA 0.158 4.478 4.320 -0.001 0.000 0.212 65 A C 0.831 178.413 177.584 -0.003 0.000 1.201 65 A CA -0.123 51.923 52.037 0.015 0.000 0.843 65 A CB 0.367 19.386 19.000 0.032 0.000 0.873 65 A HN 0.013 nan 8.150 nan 0.000 0.492 66 V N 2.570 122.490 119.914 0.011 0.000 2.455 66 V HA 0.198 4.318 4.120 -0.001 0.000 0.273 66 V C -2.214 173.820 176.094 -0.100 0.000 1.045 66 V CA -1.510 60.790 62.300 0.000 0.000 0.976 66 V CB 0.707 32.596 31.823 0.110 0.000 0.993 66 V HN 0.259 nan 8.190 nan 0.000 0.475 67 P HA 0.137 nan 4.420 nan 0.000 0.267 67 P C -0.143 176.959 177.300 -0.329 0.000 1.200 67 P CA 0.004 62.874 63.100 -0.385 0.000 0.772 67 P CB 0.431 31.706 31.700 -0.708 0.000 0.855 68 A N 2.573 125.281 122.820 -0.186 0.000 2.540 68 A HA 0.414 4.733 4.320 -0.001 0.000 0.239 68 A C 1.553 179.088 177.584 -0.082 0.000 1.061 68 A CA 0.824 52.803 52.037 -0.097 0.000 0.758 68 A CB -1.214 17.750 19.000 -0.060 0.000 0.991 68 A HN 0.892 nan 8.150 nan 0.000 0.502 69 G N 1.299 110.100 108.800 0.003 0.000 2.234 69 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.235 69 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.235 69 G C 0.152 175.171 174.900 0.197 0.000 0.997 69 G CA 0.424 45.569 45.100 0.076 0.000 0.623 69 G HN 1.081 nan 8.290 nan 0.000 0.514 70 H N 1.244 120.322 119.070 0.013 0.000 2.723 70 H HA 0.370 4.926 4.556 -0.001 0.000 0.294 70 H C -0.788 174.578 175.328 0.062 0.000 1.079 70 H CA -0.422 55.645 56.048 0.030 0.000 1.411 70 H CB 1.315 31.091 29.762 0.024 0.000 1.439 70 H HN 0.107 nan 8.280 nan 0.000 0.474 71 D N 4.985 125.478 120.400 0.156 0.000 2.522 71 D HA 0.028 4.668 4.640 -0.001 0.000 0.218 71 D C -1.120 175.260 176.300 0.134 0.000 1.149 71 D CA -0.297 53.761 54.000 0.098 0.000 0.981 71 D CB -0.593 40.226 40.800 0.033 0.000 1.041 71 D HN 0.253 nan 8.370 nan 0.000 0.518 72 F N 1.818 121.771 119.950 0.004 0.000 2.507 72 F HA 0.477 5.004 4.527 -0.001 0.000 0.325 72 F C -0.836 174.938 175.800 -0.042 0.000 1.116 72 F CA -0.614 57.376 58.000 -0.018 0.000 0.930 72 F CB 1.948 40.960 39.000 0.020 0.000 1.146 72 F HN -0.115 nan 8.300 nan 0.000 0.447 73 T N 7.786 121.792 114.554 -0.912 0.000 2.815 73 T HA 0.387 4.737 4.350 -0.001 0.000 0.289 73 T C -2.869 171.182 174.700 -1.081 0.000 1.000 73 T CA -1.335 60.311 62.100 -0.757 0.000 0.958 73 T CB 1.474 70.099 68.868 -0.405 0.000 0.944 73 T HN 0.322 nan 8.240 nan 0.000 0.442 74 P HA 0.335 nan 4.420 nan 0.000 0.281 74 P C -0.872 176.243 177.300 -0.307 0.000 1.252 74 P CA -0.520 62.269 63.100 -0.517 0.000 0.778 74 P CB 0.807 32.358 31.700 -0.248 0.000 0.895 75 L N 4.221 125.298 121.223 -0.242 0.000 2.265 75 L HA 0.384 4.723 4.340 -0.001 0.000 0.289 75 L C 0.776 177.635 176.870 -0.018 0.000 1.033 75 L CA -0.687 54.078 54.840 -0.124 0.000 0.814 75 L CB 0.696 42.671 42.059 -0.139 0.000 1.203 75 L HN 0.188 nan 8.230 nan 0.000 0.423 76 M N 2.373 122.007 119.600 0.056 0.000 2.291 76 M HA 0.458 4.937 4.480 -0.001 0.000 0.324 76 M C 0.346 176.822 176.300 0.294 0.000 1.148 76 M CA -0.323 55.076 55.300 0.165 0.000 1.104 76 M CB 1.234 33.941 32.600 0.179 0.000 1.483 76 M HN 0.594 nan 8.290 nan 0.000 0.467 77 T N -1.926 112.816 114.554 0.313 0.000 2.916 77 T HA 0.563 4.913 4.350 -0.001 0.000 0.292 77 T C -0.727 174.042 174.700 0.115 0.000 1.055 77 T CA -0.884 61.344 62.100 0.213 0.000 1.009 77 T CB 1.946 70.875 68.868 0.103 0.000 1.118 77 T HN 0.787 nan 8.240 nan 0.000 0.497 78 C N 2.436 121.533 119.300 -0.339 0.000 2.341 78 C HA 0.605 5.065 4.460 -0.001 0.000 0.338 78 C C -0.276 174.646 174.990 -0.113 0.000 1.257 78 C CA -0.899 57.807 59.018 -0.521 0.000 1.883 78 C CB -0.670 26.314 27.740 -1.260 0.000 2.334 78 C HN 0.939 nan 8.230 nan 0.000 0.524 79 Y N 6.412 126.677 120.300 -0.057 0.000 2.486 79 Y HA 0.438 4.987 4.550 -0.001 0.000 0.348 79 Y C 0.210 176.113 175.900 0.005 0.000 1.000 79 Y CA -0.168 57.962 58.100 0.050 0.000 1.253 79 Y CB 0.343 38.865 38.460 0.103 0.000 1.140 79 Y HN 0.621 nan 8.280 nan 0.000 0.526 80 L N 7.031 128.265 121.223 0.018 0.000 2.462 80 L HA 0.218 4.557 4.340 -0.001 0.000 0.272 80 L C 0.363 177.336 176.870 0.172 0.000 1.166 80 L CA 0.211 55.075 54.840 0.040 0.000 0.880 80 L CB 0.185 42.216 42.059 -0.046 0.000 1.142 80 L HN 0.740 nan 8.230 nan 0.000 0.473 81 T N -2.510 112.139 114.554 0.158 0.000 2.843 81 T HA 0.243 4.593 4.350 -0.001 0.000 0.302 81 T C 0.349 175.102 174.700 0.089 0.000 1.232 81 T CA -0.871 61.327 62.100 0.164 0.000 1.009 81 T CB 1.819 70.786 68.868 0.165 0.000 1.254 81 T HN 0.379 nan 8.240 nan 0.000 0.504 82 D N 1.296 121.740 120.400 0.075 0.000 2.116 82 D HA -0.115 4.525 4.640 -0.001 0.000 0.193 82 D C 2.240 178.565 176.300 0.040 0.000 0.998 82 D CA 2.265 56.295 54.000 0.049 0.000 0.836 82 D CB -0.361 40.464 40.800 0.042 0.000 0.951 82 D HN 0.724 nan 8.370 nan 0.000 0.449 83 S N -0.223 115.502 115.700 0.041 0.000 2.607 83 S HA -0.016 4.453 4.470 -0.001 0.000 0.224 83 S C 0.849 175.473 174.600 0.040 0.000 0.969 83 S CA -0.442 57.779 58.200 0.035 0.000 0.927 83 S CB -0.278 62.941 63.200 0.030 0.000 0.772 83 S HN 0.116 nan 8.310 nan 0.000 0.533 84 L N 3.609 124.860 121.223 0.046 0.000 2.615 84 L HA 0.266 4.606 4.340 -0.001 0.000 0.271 84 L C -0.184 176.708 176.870 0.037 0.000 1.183 84 L CA 0.315 55.183 54.840 0.046 0.000 0.933 84 L CB -0.049 42.035 42.059 0.041 0.000 1.199 84 L HN 0.118 nan 8.230 nan 0.000 0.487 85 D N 7.338 127.765 120.400 0.044 0.000 2.317 85 D HA 0.208 4.848 4.640 -0.001 0.000 0.252 85 D C -1.814 174.512 176.300 0.043 0.000 1.174 85 D CA -2.135 51.890 54.000 0.041 0.000 0.866 85 D CB 1.752 42.581 40.800 0.048 0.000 1.127 85 D HN 0.353 nan 8.370 nan 0.000 0.467 86 P HA -0.135 nan 4.420 nan 0.000 0.217 86 P C 0.845 178.173 177.300 0.047 0.000 1.148 86 P CA 0.891 64.007 63.100 0.027 0.000 0.828 86 P CB 0.315 32.023 31.700 0.013 0.000 0.783 87 N N -0.501 118.229 118.700 0.051 0.000 2.244 87 N HA -0.159 4.581 4.740 -0.001 0.000 0.183 87 N C 1.736 177.300 175.510 0.090 0.000 1.016 87 N CA 1.038 54.125 53.050 0.062 0.000 0.866 87 N CB -0.582 37.935 38.487 0.050 0.000 0.980 87 N HN 0.237 nan 8.380 nan 0.000 0.430 88 E N 0.861 121.121 120.200 0.100 0.000 2.047 88 E HA -0.075 4.274 4.350 -0.001 0.000 0.191 88 E C 1.851 178.588 176.600 0.229 0.000 0.987 88 E CA 0.533 57.019 56.400 0.143 0.000 0.799 88 E CB -0.347 29.435 29.700 0.137 0.000 0.752 88 E HN 0.160 nan 8.360 nan 0.000 0.449 89 L N 1.178 122.515 121.223 0.189 0.000 2.017 89 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 89 L C 2.294 179.326 176.870 0.269 0.000 1.073 89 L CA 2.254 57.224 54.840 0.216 0.000 0.745 89 L CB -0.671 41.414 42.059 0.043 0.000 0.894 89 L HN 0.300 nan 8.230 nan 0.000 0.432 90 E N -0.596 119.708 120.200 0.173 0.000 2.077 90 E HA -0.307 4.043 4.350 -0.001 0.000 0.193 90 E C 2.424 179.161 176.600 0.229 0.000 0.989 90 E CA 1.188 57.703 56.400 0.191 0.000 0.800 90 E CB -0.135 29.636 29.700 0.118 0.000 0.746 90 E HN 0.456 nan 8.360 nan 0.000 0.452 91 R N -0.239 120.363 120.500 0.170 0.000 2.083 91 R HA -0.138 4.201 4.340 -0.001 0.000 0.237 91 R C 2.396 178.762 176.300 0.111 0.000 1.137 91 R CA 1.815 57.986 56.100 0.119 0.000 0.951 91 R CB -0.637 29.713 30.300 0.083 0.000 0.851 91 R HN 0.262 nan 8.270 nan 0.000 0.434 92 G N -0.144 108.752 108.800 0.160 0.000 2.422 92 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.218 92 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.218 92 G C 1.227 176.217 174.900 0.151 0.000 1.146 92 G CA 0.595 45.693 45.100 -0.004 0.000 0.769 92 G HN 0.384 nan 8.290 nan 0.000 0.547 93 F N 2.249 122.311 119.950 0.187 0.000 2.102 93 F HA -0.048 4.479 4.527 -0.000 0.000 0.298 93 F C 2.369 178.206 175.800 0.062 0.000 1.105 93 F CA 1.562 59.648 58.000 0.145 0.000 1.239 93 F CB -0.208 38.872 39.000 0.134 0.000 0.991 93 F HN 0.055 nan 8.300 nan 0.000 0.474 94 N N 0.629 119.381 118.700 0.088 0.000 2.289 94 N HA -0.147 4.593 4.740 -0.001 0.000 0.184 94 N C 1.464 176.916 175.510 -0.096 0.000 1.016 94 N CA 1.374 54.397 53.050 -0.045 0.000 0.872 94 N CB -0.452 38.063 38.487 0.047 0.000 0.973 94 N HN 0.521 nan 8.380 nan 0.000 0.433 95 E N -0.363 119.795 120.200 -0.070 0.000 2.502 95 E HA 0.109 4.459 4.350 -0.001 0.000 0.194 95 E C 0.748 177.276 176.600 -0.120 0.000 1.062 95 E CA 0.178 56.524 56.400 -0.089 0.000 0.867 95 E CB 0.033 29.684 29.700 -0.083 0.000 0.888 95 E HN 0.363 nan 8.360 nan 0.000 0.510 96 G N 0.834 109.542 108.800 -0.154 0.000 2.155 96 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.257 96 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.257 96 G C 0.961 175.795 174.900 -0.110 0.000 0.983 96 G CA 0.499 45.510 45.100 -0.149 0.000 0.676 96 G HN 0.247 nan 8.290 nan 0.000 0.528 97 V N -0.615 119.218 119.914 -0.135 0.000 2.300 97 V HA 0.256 4.376 4.120 -0.001 0.000 0.241 97 V C 1.429 177.463 176.094 -0.100 0.000 1.034 97 V CA 1.405 63.582 62.300 -0.204 0.000 1.021 97 V CB -0.309 31.274 31.823 -0.401 0.000 0.662 97 V HN 0.331 nan 8.190 nan 0.000 0.458 98 F N 0.450 120.461 119.950 0.102 0.000 2.411 98 F HA 0.253 4.779 4.527 -0.001 0.000 0.355 98 F C 1.433 177.376 175.800 0.239 0.000 1.117 98 F CA -0.431 57.667 58.000 0.164 0.000 1.139 98 F CB 1.367 40.485 39.000 0.197 0.000 1.120 98 F HN -0.114 nan 8.300 nan 0.000 0.493 99 T N 2.231 117.024 114.554 0.398 0.000 3.014 99 T HA 0.262 4.611 4.350 -0.001 0.000 0.263 99 T C 0.546 175.512 174.700 0.444 0.000 1.078 99 T CA 0.754 63.085 62.100 0.386 0.000 1.135 99 T CB 0.156 69.184 68.868 0.266 0.000 0.895 99 T HN 0.652 nan 8.240 nan 0.000 0.480 100 A N -0.160 122.858 122.820 0.330 0.000 2.581 100 A HA 0.873 5.193 4.320 -0.001 0.000 0.290 100 A C -1.373 176.235 177.584 0.041 0.000 1.119 100 A CA -0.436 51.716 52.037 0.192 0.000 0.670 100 A CB 0.686 19.840 19.000 0.257 0.000 1.280 100 A HN 0.333 nan 8.150 nan 0.000 0.425 104 Y N 5.006 125.171 120.300 -0.224 0.000 2.376 104 Y HA 0.691 5.240 4.550 -0.001 0.000 0.325 104 Y C -1.880 173.964 175.900 -0.092 0.000 1.199 104 Y CA -1.806 56.184 58.100 -0.183 0.000 1.206 104 Y CB 1.035 39.329 38.460 -0.277 0.000 1.229 104 Y HN 0.438 nan 8.280 nan 0.000 0.480 105 P HA 0.173 nan 4.420 nan 0.000 0.275 105 P C -0.686 176.666 177.300 0.087 0.000 1.227 105 P CA -0.319 62.838 63.100 0.096 0.000 0.781 105 P CB 0.788 32.534 31.700 0.076 0.000 0.906 116 V N 1.152 121.132 119.914 0.111 0.000 2.508 116 V HA 0.275 4.395 4.120 -0.001 0.000 0.281 116 V C 1.519 177.659 176.094 0.076 0.000 1.041 116 V CA 0.717 63.065 62.300 0.081 0.000 1.016 116 V CB 1.048 32.904 31.823 0.056 0.000 0.984 116 V HN 0.898 nan 8.190 nan 0.000 0.478 117 T N 2.893 117.484 114.554 0.062 0.000 2.896 117 T HA 0.004 4.354 4.350 -0.001 0.000 0.263 117 T C 0.670 175.399 174.700 0.048 0.000 1.050 117 T CA 1.260 63.393 62.100 0.055 0.000 1.140 117 T CB 0.062 68.956 68.868 0.043 0.000 0.877 117 T HN 0.820 nan 8.240 nan 0.000 0.457 118 S N -0.792 114.931 115.700 0.037 0.000 2.547 118 S HA 0.387 4.857 4.470 -0.001 0.000 0.270 118 S C 0.637 175.244 174.600 0.011 0.000 1.150 118 S CA -0.799 57.414 58.200 0.021 0.000 0.850 118 S CB 1.409 64.615 63.200 0.011 0.000 1.118 118 S HN -0.161 nan 8.310 nan 0.000 0.461 119 V N 1.715 121.624 119.914 -0.008 0.000 2.568 119 V HA -0.129 3.991 4.120 -0.001 0.000 0.253 119 V C 1.958 178.042 176.094 -0.018 0.000 1.072 119 V CA 2.279 64.568 62.300 -0.019 0.000 1.084 119 V CB -0.793 31.000 31.823 -0.050 0.000 0.676 119 V HN 0.889 nan 8.190 nan 0.000 0.469 120 D N 0.533 120.924 120.400 -0.016 0.000 2.117 120 D HA -0.087 4.553 4.640 -0.001 0.000 0.198 120 D C 2.247 178.544 176.300 -0.005 0.000 0.982 120 D CA 1.547 55.539 54.000 -0.013 0.000 0.828 120 D CB -0.187 40.606 40.800 -0.013 0.000 0.967 120 D HN 0.461 nan 8.370 nan 0.000 0.464 121 A N 1.171 123.993 122.820 0.003 0.000 2.019 121 A HA -0.099 4.220 4.320 -0.001 0.000 0.219 121 A C 2.080 179.669 177.584 0.008 0.000 1.164 121 A CA 0.829 52.870 52.037 0.008 0.000 0.644 121 A CB -0.659 18.351 19.000 0.016 0.000 0.805 121 A HN 0.439 nan 8.150 nan 0.000 0.449 122 I N -5.047 115.525 120.570 0.004 0.000 3.914 122 I HA 0.312 4.482 4.170 -0.001 0.000 0.333 122 I C 1.534 177.646 176.117 -0.009 0.000 1.449 122 I CA -0.048 61.253 61.300 0.001 0.000 1.135 122 I CB 0.232 38.233 38.000 0.002 0.000 1.073 122 I HN 0.036 nan 8.210 nan 0.000 0.401 123 M N 2.690 122.284 119.600 -0.010 0.000 2.108 123 M HA 0.033 4.513 4.480 -0.001 0.000 0.261 123 M C -0.889 175.401 176.300 -0.016 0.000 1.066 123 M CA 1.916 57.207 55.300 -0.016 0.000 1.107 123 M CB -1.365 31.226 32.600 -0.015 0.000 1.356 123 M HN 0.111 nan 8.290 nan 0.000 0.406 124 P HA -0.113 nan 4.420 nan 0.000 0.216 124 P C 1.779 179.071 177.300 -0.014 0.000 1.150 124 P CA 1.202 64.296 63.100 -0.010 0.000 0.837 124 P CB -0.114 31.585 31.700 -0.003 0.000 0.786 125 V N -0.521 119.384 119.914 -0.015 0.000 2.307 125 V HA -0.217 3.903 4.120 -0.001 0.000 0.245 125 V C 2.438 178.508 176.094 -0.041 0.000 1.045 125 V CA 1.640 63.926 62.300 -0.023 0.000 1.024 125 V CB -1.237 30.574 31.823 -0.020 0.000 0.651 125 V HN 0.061 nan 8.190 nan 0.000 0.449 126 L N -0.412 120.787 121.223 -0.040 0.000 2.083 126 L HA -0.191 4.149 4.340 -0.001 0.000 0.209 126 L C 2.553 179.392 176.870 -0.052 0.000 1.083 126 L CA 1.630 56.440 54.840 -0.050 0.000 0.752 126 L CB -0.666 41.368 42.059 -0.041 0.000 0.899 126 L HN 0.383 nan 8.230 nan 0.000 0.433 127 E N -0.177 119.999 120.200 -0.040 0.000 2.077 127 E HA -0.268 4.082 4.350 -0.001 0.000 0.193 127 E C 2.234 178.807 176.600 -0.044 0.000 0.989 127 E CA 1.018 57.395 56.400 -0.037 0.000 0.800 127 E CB -0.037 29.648 29.700 -0.026 0.000 0.746 127 E HN 0.206 nan 8.360 nan 0.000 0.452 128 R N 0.940 121.414 120.500 -0.043 0.000 2.073 128 R HA -0.083 4.256 4.340 -0.001 0.000 0.234 128 R C 2.090 178.337 176.300 -0.087 0.000 1.134 128 R CA 1.564 57.635 56.100 -0.047 0.000 0.952 128 R CB -0.290 29.992 30.300 -0.031 0.000 0.850 128 R HN 0.147 nan 8.270 nan 0.000 0.433 129 M N -0.020 119.513 119.600 -0.112 0.000 2.108 129 M HA -0.179 4.300 4.480 -0.001 0.000 0.261 129 M C 2.256 178.457 176.300 -0.166 0.000 1.066 129 M CA 2.150 57.343 55.300 -0.178 0.000 1.107 129 M CB -0.426 32.078 32.600 -0.161 0.000 1.356 129 M HN 0.306 nan 8.290 nan 0.000 0.406 130 E N 0.850 120.984 120.200 -0.110 0.000 2.058 130 E HA -0.263 4.086 4.350 -0.001 0.000 0.194 130 E C 2.017 178.567 176.600 -0.082 0.000 0.997 130 E CA 1.469 57.815 56.400 -0.090 0.000 0.801 130 E CB -0.003 29.660 29.700 -0.062 0.000 0.746 130 E HN 0.386 nan 8.360 nan 0.000 0.450 131 K N 0.746 121.105 120.400 -0.068 0.000 2.097 131 K HA -0.142 4.177 4.320 -0.001 0.000 0.206 131 K C 2.259 178.833 176.600 -0.044 0.000 1.049 131 K CA 1.700 57.959 56.287 -0.046 0.000 0.933 131 K CB -0.272 32.210 32.500 -0.031 0.000 0.717 131 K HN 0.385 nan 8.250 nan 0.000 0.442 132 I N -3.736 116.788 120.570 -0.077 0.000 3.728 132 I HA 0.265 4.435 4.170 -0.001 0.000 0.307 132 I C 0.785 176.853 176.117 -0.080 0.000 1.276 132 I CA 0.615 61.883 61.300 -0.053 0.000 1.285 132 I CB 0.261 38.228 38.000 -0.055 0.000 1.038 132 I HN 0.267 nan 8.210 nan 0.000 0.445 133 G N 2.452 111.162 108.800 -0.151 0.000 2.149 133 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.235 133 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.235 133 G C 0.076 174.826 174.900 -0.249 0.000 1.018 133 G CA 0.344 45.363 45.100 -0.134 0.000 0.728 133 G HN 0.546 nan 8.290 nan 0.000 0.508 134 M N 1.454 120.752 119.600 -0.502 0.000 2.120 134 M HA 0.472 4.952 4.480 -0.001 0.000 0.354 134 M C -2.060 174.075 176.300 -0.275 0.000 1.287 134 M CA -2.094 52.839 55.300 -0.612 0.000 1.103 134 M CB 1.075 33.123 32.600 -0.919 0.000 1.623 134 M HN -0.021 nan 8.290 nan 0.000 0.471 135 P HA 0.133 nan 4.420 nan 0.000 0.271 135 P C -1.279 175.974 177.300 -0.078 0.000 1.216 135 P CA -0.424 62.597 63.100 -0.131 0.000 0.776 135 P CB 0.551 32.128 31.700 -0.204 0.000 0.881 136 L N 4.125 125.314 121.223 -0.055 0.000 2.272 136 L HA 0.349 4.689 4.340 -0.001 0.000 0.289 136 L C -0.933 175.918 176.870 -0.031 0.000 1.032 136 L CA -0.200 54.608 54.840 -0.053 0.000 0.810 136 L CB 0.126 42.153 42.059 -0.054 0.000 1.205 136 L HN 0.185 nan 8.230 nan 0.000 0.422 137 L N 6.245 127.435 121.223 -0.054 0.000 2.282 137 L HA 0.588 4.927 4.340 -0.001 0.000 0.288 137 L C -0.740 176.046 176.870 -0.140 0.000 1.033 137 L CA -0.878 53.923 54.840 -0.064 0.000 0.807 137 L CB 1.592 43.616 42.059 -0.058 0.000 1.209 137 L HN 0.301 nan 8.230 nan 0.000 0.423 138 V N 1.818 121.656 119.914 -0.127 0.000 2.409 138 V HA 0.180 4.300 4.120 -0.001 0.000 0.291 138 V C -0.345 175.640 176.094 -0.182 0.000 1.020 138 V CA -0.623 61.577 62.300 -0.166 0.000 0.848 138 V CB 1.553 33.282 31.823 -0.158 0.000 0.990 138 V HN 0.680 nan 8.190 nan 0.000 0.430 139 H N 3.611 122.504 119.070 -0.295 0.000 2.969 139 H HA 0.468 5.023 4.556 -0.001 0.000 0.269 139 H C 0.791 175.889 175.328 -0.383 0.000 1.223 139 H CA -0.107 55.849 56.048 -0.154 0.000 1.400 139 H CB 0.603 30.349 29.762 -0.027 0.000 1.500 139 H HN 0.797 nan 8.280 nan 0.000 0.486 140 G N 5.143 113.651 108.800 -0.486 0.000 3.064 140 G HA2 0.160 4.120 3.960 -0.001 0.000 0.286 140 G HA3 0.160 4.120 3.960 -0.001 0.000 0.286 140 G C -0.603 173.796 174.900 -0.835 0.000 0.834 140 G CA -0.466 43.779 45.100 -1.426 0.000 1.856 140 G HN 0.693 nan 8.290 nan 0.000 0.559 141 E N 0.441 120.320 120.200 -0.536 0.000 2.314 141 E HA 0.357 4.707 4.350 -0.001 0.000 0.272 141 E C -0.164 176.560 176.600 0.205 0.000 0.884 141 E CA -0.934 55.462 56.400 -0.006 0.000 0.753 141 E CB 2.941 32.715 29.700 0.123 0.000 1.213 141 E HN 0.284 nan 8.360 nan 0.000 0.432 142 V N -0.289 119.798 119.914 0.289 0.000 2.953 142 V HA 0.419 4.539 4.120 -0.001 0.000 0.304 142 V C 0.733 176.923 176.094 0.159 0.000 1.073 142 V CA 0.177 62.625 62.300 0.247 0.000 1.064 142 V CB 1.231 33.171 31.823 0.195 0.000 1.047 142 V HN 0.971 nan 8.190 nan 0.000 0.478 143 T N -2.183 112.459 114.554 0.145 0.000 3.004 143 T HA 0.177 4.527 4.350 -0.001 0.000 0.266 143 T C 0.693 175.449 174.700 0.093 0.000 0.986 143 T CA 0.144 62.304 62.100 0.099 0.000 0.902 143 T CB -0.589 68.326 68.868 0.078 0.000 1.118 143 T HN 0.928 nan 8.240 nan 0.000 0.522 144 H N 1.627 120.725 119.070 0.046 0.000 3.034 144 H HA 0.362 4.917 4.556 -0.001 0.000 0.324 144 H C 1.593 176.939 175.328 0.030 0.000 1.015 144 H CA 0.647 56.715 56.048 0.034 0.000 1.429 144 H CB 1.246 31.027 29.762 0.031 0.000 1.429 144 H HN 0.299 nan 8.280 nan 0.000 0.585 145 A N 4.603 127.198 122.820 -0.375 0.000 1.986 145 A HA -0.191 4.129 4.320 -0.001 0.000 0.220 145 A C 1.759 179.348 177.584 0.010 0.000 1.171 145 A CA 1.776 53.716 52.037 -0.162 0.000 0.640 145 A CB -0.038 18.833 19.000 -0.215 0.000 0.811 145 A HN 0.781 nan 8.150 nan 0.000 0.451 146 D N -0.571 119.940 120.400 0.186 0.000 2.355 146 D HA 0.129 4.769 4.640 -0.001 0.000 0.218 146 D C 0.344 176.746 176.300 0.171 0.000 1.004 146 D CA 0.235 54.360 54.000 0.208 0.000 0.880 146 D CB -0.012 40.941 40.800 0.256 0.000 0.911 146 D HN 0.458 nan 8.370 nan 0.000 0.528 147 I N 1.510 122.192 120.570 0.187 0.000 2.371 147 I HA 0.019 4.189 4.170 -0.001 0.000 0.290 147 I C 0.561 176.737 176.117 0.097 0.000 1.028 147 I CA -0.646 60.729 61.300 0.125 0.000 1.345 147 I CB 0.818 38.893 38.000 0.125 0.000 1.407 147 I HN -0.250 nan 8.210 nan 0.000 0.501 148 D N 5.064 125.523 120.400 0.098 0.000 2.488 148 D HA -0.056 4.583 4.640 -0.001 0.000 0.238 148 D C 1.243 177.594 176.300 0.084 0.000 1.138 148 D CA 0.230 54.296 54.000 0.111 0.000 0.873 148 D CB 0.961 41.852 40.800 0.151 0.000 1.183 148 D HN 0.525 nan 8.370 nan 0.000 0.458 149 I N 3.167 123.748 120.570 0.019 0.000 2.264 149 I HA -0.260 3.909 4.170 -0.001 0.000 0.248 149 I C 1.093 177.091 176.117 -0.199 0.000 1.111 149 I CA 1.190 62.411 61.300 -0.131 0.000 1.382 149 I CB -0.041 37.798 38.000 -0.268 0.000 1.060 149 I HN 0.519 nan 8.210 nan 0.000 0.418 150 F N 0.646 120.616 119.950 0.034 0.000 2.604 150 F HA -0.113 4.413 4.527 -0.001 0.000 0.298 150 F C 1.692 177.486 175.800 -0.010 0.000 1.131 150 F CA 0.633 58.639 58.000 0.010 0.000 1.457 150 F CB -0.256 38.758 39.000 0.024 0.000 1.095 150 F HN 0.131 nan 8.300 nan 0.000 0.574 151 D N -0.690 119.795 120.400 0.142 0.000 2.360 151 D HA 0.058 4.698 4.640 -0.001 0.000 0.210 151 D C 2.005 178.347 176.300 0.069 0.000 1.047 151 D CA 0.253 54.311 54.000 0.095 0.000 0.854 151 D CB -0.095 40.764 40.800 0.098 0.000 0.936 151 D HN 0.227 nan 8.370 nan 0.000 0.514 152 R N 0.553 121.085 120.500 0.053 0.000 2.115 152 R HA -0.049 4.290 4.340 -0.001 0.000 0.226 152 R C 1.985 178.346 176.300 0.102 0.000 1.100 152 R CA 0.788 56.933 56.100 0.075 0.000 0.980 152 R CB 0.109 30.443 30.300 0.057 0.000 0.875 152 R HN 0.248 nan 8.270 nan 0.000 0.445 153 E N 0.896 121.130 120.200 0.057 0.000 2.046 153 E HA -0.140 4.210 4.350 -0.001 0.000 0.190 153 E C 1.961 178.651 176.600 0.151 0.000 0.982 153 E CA 1.033 57.486 56.400 0.089 0.000 0.800 153 E CB -0.022 29.666 29.700 -0.019 0.000 0.756 153 E HN 0.311 nan 8.360 nan 0.000 0.449 154 A N 1.518 124.384 122.820 0.076 0.000 1.902 154 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 154 A C 2.205 179.835 177.584 0.076 0.000 1.181 154 A CA 1.304 53.383 52.037 0.070 0.000 0.623 154 A CB -0.484 18.542 19.000 0.044 0.000 0.818 154 A HN 0.158 nan 8.150 nan 0.000 0.443 155 R N -1.934 118.618 120.500 0.086 0.000 2.120 155 R HA -0.101 4.239 4.340 -0.001 0.000 0.234 155 R C 1.927 178.267 176.300 0.067 0.000 1.123 155 R CA 1.347 57.485 56.100 0.063 0.000 0.975 155 R CB -0.656 29.686 30.300 0.069 0.000 0.866 155 R HN 0.651 nan 8.270 nan 0.000 0.446 156 F N 1.571 121.510 119.950 -0.018 0.000 2.171 156 F HA -0.135 4.391 4.527 -0.001 0.000 0.300 156 F C 2.066 177.787 175.800 -0.133 0.000 1.090 156 F CA 1.136 59.105 58.000 -0.052 0.000 1.293 156 F CB -0.103 38.883 39.000 -0.024 0.000 1.013 156 F HN -0.133 nan 8.300 nan 0.000 0.486 157 I N 0.580 121.160 120.570 0.015 0.000 2.179 157 I HA -0.318 3.851 4.170 -0.001 0.000 0.242 157 I C 2.206 178.138 176.117 -0.308 0.000 1.088 157 I CA 2.059 63.216 61.300 -0.238 0.000 1.357 157 I CB -0.605 37.244 38.000 -0.253 0.000 1.051 157 I HN 0.238 nan 8.210 nan 0.000 0.409 158 E N 0.722 120.812 120.200 -0.183 0.000 2.072 158 E HA -0.156 4.193 4.350 -0.001 0.000 0.190 158 E C 2.078 178.578 176.600 -0.167 0.000 0.982 158 E CA 1.532 57.848 56.400 -0.141 0.000 0.803 158 E CB -0.315 29.341 29.700 -0.073 0.000 0.755 158 E HN 0.497 nan 8.360 nan 0.000 0.453 159 S N -0.238 115.339 115.700 -0.204 0.000 2.486 159 S HA 0.092 4.562 4.470 -0.001 0.000 0.220 159 S C 1.752 176.169 174.600 -0.304 0.000 1.011 159 S CA 0.313 58.392 58.200 -0.202 0.000 0.921 159 S CB 0.446 63.560 63.200 -0.144 0.000 0.785 159 S HN 0.150 nan 8.310 nan 0.000 0.517 160 V N 0.161 119.749 119.914 -0.543 0.000 3.102 160 V HA 0.289 4.409 4.120 -0.001 0.000 0.225 160 V C 2.121 177.832 176.094 -0.637 0.000 1.301 160 V CA 0.705 62.584 62.300 -0.702 0.000 1.308 160 V CB -0.330 30.747 31.823 -1.244 0.000 1.129 160 V HN 0.377 nan 8.190 nan 0.000 0.502 161 M N 1.278 120.418 119.600 -0.767 0.000 2.077 161 M HA -0.107 4.373 4.480 -0.001 0.000 0.261 161 M C 1.996 178.180 176.300 -0.193 0.000 1.070 161 M CA 2.343 57.406 55.300 -0.396 0.000 1.125 161 M CB -0.425 31.948 32.600 -0.379 0.000 1.339 161 M HN 0.377 nan 8.290 nan 0.000 0.409 162 E N -0.380 119.710 120.200 -0.182 0.000 2.047 162 E HA -0.094 4.256 4.350 -0.001 0.000 0.191 162 E C -0.828 175.753 176.600 -0.031 0.000 0.987 162 E CA 1.623 58.021 56.400 -0.003 0.000 0.799 162 E CB -1.450 28.266 29.700 0.026 0.000 0.752 162 E HN 0.330 nan 8.360 nan 0.000 0.449 163 P HA -0.148 nan 4.420 nan 0.000 0.215 163 P C 1.471 178.732 177.300 -0.066 0.000 1.153 163 P CA 0.982 64.037 63.100 -0.075 0.000 0.853 163 P CB -0.105 31.533 31.700 -0.103 0.000 0.788 164 L N -0.159 121.010 121.223 -0.090 0.000 2.046 164 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 164 L C 2.244 179.094 176.870 -0.034 0.000 1.077 164 L CA 1.869 56.668 54.840 -0.067 0.000 0.747 164 L CB -0.936 41.073 42.059 -0.083 0.000 0.896 164 L HN -0.197 nan 8.230 nan 0.000 0.432 165 R N -1.157 119.336 120.500 -0.013 0.000 2.148 165 R HA -0.077 4.263 4.340 -0.001 0.000 0.223 165 R C 2.137 178.441 176.300 0.007 0.000 1.088 165 R CA 0.908 57.015 56.100 0.013 0.000 0.985 165 R CB -0.235 30.100 30.300 0.059 0.000 0.880 165 R HN 0.493 nan 8.270 nan 0.000 0.451 166 Q N 0.223 120.024 119.800 0.003 0.000 2.230 166 Q HA -0.121 4.218 4.340 -0.001 0.000 0.202 166 Q C 1.949 177.942 176.000 -0.011 0.000 0.963 166 Q CA 1.138 56.939 55.803 -0.002 0.000 0.866 166 Q CB -0.027 28.710 28.738 -0.003 0.000 0.931 166 Q HN 0.304 nan 8.270 nan 0.000 0.452 167 R N 0.011 120.500 120.500 -0.018 0.000 2.080 167 R HA 0.054 4.394 4.340 -0.001 0.000 0.222 167 R C 0.414 176.702 176.300 -0.020 0.000 1.107 167 R CA 0.511 56.598 56.100 -0.021 0.000 0.980 167 R CB 0.294 30.578 30.300 -0.027 0.000 0.879 167 R HN 0.072 nan 8.270 nan 0.000 0.439 168 L N 2.121 123.331 121.223 -0.021 0.000 2.435 168 L HA 0.261 4.601 4.340 -0.001 0.000 0.253 168 L C 0.747 177.606 176.870 -0.019 0.000 1.087 168 L CA -0.437 54.389 54.840 -0.023 0.000 0.950 168 L CB 1.658 43.700 42.059 -0.029 0.000 1.304 168 L HN 0.265 nan 8.230 nan 0.000 0.453 169 T N -2.944 111.600 114.554 -0.017 0.000 3.072 169 T HA -0.024 4.326 4.350 -0.001 0.000 0.266 169 T C 1.420 176.110 174.700 -0.017 0.000 1.127 169 T CA 0.867 62.960 62.100 -0.012 0.000 1.107 169 T CB 0.309 69.170 68.868 -0.011 0.000 0.910 169 T HN 0.478 nan 8.240 nan 0.000 0.513 170 A N 0.238 123.043 122.820 -0.026 0.000 2.348 170 A HA 0.564 4.883 4.320 -0.001 0.000 0.224 170 A C 0.706 178.260 177.584 -0.049 0.000 1.227 170 A CA -0.495 51.520 52.037 -0.037 0.000 0.885 170 A CB -0.236 18.741 19.000 -0.039 0.000 0.933 170 A HN 0.485 nan 8.150 nan 0.000 0.506 171 L N 1.150 122.349 121.223 -0.040 0.000 2.410 171 L HA 0.210 4.550 4.340 -0.001 0.000 0.273 171 L C -0.007 176.845 176.870 -0.030 0.000 1.152 171 L CA 0.303 55.114 54.840 -0.048 0.000 0.855 171 L CB 0.367 42.402 42.059 -0.039 0.000 1.129 171 L HN 0.154 nan 8.230 nan 0.000 0.463 172 K N 4.298 124.663 120.400 -0.059 0.000 2.234 172 K HA 0.521 4.840 4.320 -0.001 0.000 0.282 172 K C -1.165 175.488 176.600 0.087 0.000 1.039 172 K CA -0.527 55.752 56.287 -0.013 0.000 0.928 172 K CB 1.347 33.711 32.500 -0.227 0.000 1.039 172 K HN 0.408 nan 8.250 nan 0.000 0.470 173 V N 3.397 123.444 119.914 0.221 0.000 2.638 173 V HA 0.243 4.363 4.120 -0.001 0.000 0.306 173 V C -0.575 175.583 176.094 0.107 0.000 1.052 173 V CA -1.028 61.347 62.300 0.126 0.000 0.885 173 V CB 2.014 33.879 31.823 0.069 0.000 0.999 173 V HN 0.438 nan 8.190 nan 0.000 0.424 174 V N 4.853 124.792 119.914 0.042 0.000 2.347 174 V HA 0.372 4.491 4.120 -0.001 0.000 0.280 174 V C -0.233 175.880 176.094 0.032 0.000 1.021 174 V CA -0.374 61.897 62.300 -0.048 0.000 0.847 174 V CB 1.449 33.271 31.823 -0.001 0.000 0.990 174 V HN 0.789 nan 8.190 nan 0.000 0.444 175 F N 4.832 124.708 119.950 -0.123 0.000 2.439 175 F HA 0.268 4.795 4.527 -0.001 0.000 0.356 175 F C 1.008 176.704 175.800 -0.173 0.000 1.161 175 F CA -0.687 57.250 58.000 -0.105 0.000 1.151 175 F CB 0.359 39.339 39.000 -0.034 0.000 1.222 175 F HN 0.548 nan 8.300 nan 0.000 0.558 176 E N 4.168 124.414 120.200 0.077 0.000 2.390 176 E HA -0.038 4.312 4.350 -0.001 0.000 0.261 176 E C 0.147 176.569 176.600 -0.298 0.000 1.076 176 E CA -0.115 56.172 56.400 -0.188 0.000 0.905 176 E CB 0.241 29.732 29.700 -0.349 0.000 0.984 176 E HN 0.714 nan 8.360 nan 0.000 0.427 177 H N -1.185 117.829 119.070 -0.095 0.000 2.262 177 H HA -0.218 4.337 4.556 -0.001 0.000 0.319 177 H C 0.055 175.167 175.328 -0.360 0.000 0.947 177 H CA 0.446 56.367 56.048 -0.213 0.000 1.060 177 H CB -2.633 26.983 29.762 -0.243 0.000 1.605 177 H HN 0.451 nan 8.280 nan 0.000 0.346 178 I N -1.829 118.596 120.570 -0.243 0.000 2.696 178 I HA 0.384 4.553 4.170 -0.001 0.000 0.284 178 I C 1.062 176.939 176.117 -0.399 0.000 1.129 178 I CA 0.233 61.266 61.300 -0.444 0.000 1.410 178 I CB 1.426 39.067 38.000 -0.598 0.000 1.399 178 I HN 0.539 nan 8.210 nan 0.000 0.579 179 T N -0.392 113.919 114.554 -0.405 0.000 3.130 179 T HA 0.207 4.557 4.350 -0.001 0.000 0.288 179 T C 0.461 175.051 174.700 -0.184 0.000 0.936 179 T CA 0.351 62.236 62.100 -0.358 0.000 0.897 179 T CB -0.339 68.240 68.868 -0.483 0.000 1.178 179 T HN 0.918 nan 8.240 nan 0.000 0.543 180 T N -1.054 113.385 114.554 -0.191 0.000 2.907 180 T HA 0.524 4.873 4.350 -0.001 0.000 0.292 180 T C 0.749 175.490 174.700 0.068 0.000 1.043 180 T CA -0.839 61.184 62.100 -0.127 0.000 1.003 180 T CB 2.836 71.548 68.868 -0.259 0.000 1.084 180 T HN 0.022 nan 8.240 nan 0.000 0.483 181 K N 0.840 121.458 120.400 0.364 0.000 2.103 181 K HA -0.198 4.121 4.320 -0.001 0.000 0.207 181 K C 1.100 177.754 176.600 0.089 0.000 1.048 181 K CA 2.260 58.645 56.287 0.163 0.000 0.930 181 K CB -0.446 32.126 32.500 0.120 0.000 0.716 181 K HN 0.721 nan 8.250 nan 0.000 0.444 182 D N 0.273 120.739 120.400 0.110 0.000 2.104 182 D HA -0.191 4.449 4.640 -0.001 0.000 0.194 182 D C 1.829 178.169 176.300 0.068 0.000 0.994 182 D CA 1.767 55.814 54.000 0.078 0.000 0.830 182 D CB -0.115 40.724 40.800 0.065 0.000 0.959 182 D HN 0.382 nan 8.370 nan 0.000 0.452 183 A N 0.733 123.541 122.820 -0.020 0.000 1.897 183 A HA 0.093 4.413 4.320 -0.001 0.000 0.215 183 A C 2.255 179.792 177.584 -0.079 0.000 1.181 183 A CA 1.710 53.683 52.037 -0.106 0.000 0.620 183 A CB -0.917 17.750 19.000 -0.555 0.000 0.821 183 A HN 0.229 nan 8.150 nan 0.000 0.443 184 A N 0.303 123.061 122.820 -0.104 0.000 1.883 184 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 184 A C 1.777 179.292 177.584 -0.115 0.000 1.186 184 A CA 2.033 53.996 52.037 -0.123 0.000 0.624 184 A CB -0.638 18.302 19.000 -0.100 0.000 0.822 184 A HN 0.453 nan 8.150 nan 0.000 0.444 185 D N -1.907 118.469 120.400 -0.040 0.000 2.117 185 D HA -0.131 4.509 4.640 -0.001 0.000 0.198 185 D C 1.697 178.002 176.300 0.008 0.000 0.982 185 D CA 1.429 55.410 54.000 -0.032 0.000 0.828 185 D CB -0.480 40.329 40.800 0.015 0.000 0.967 185 D HN 0.589 nan 8.370 nan 0.000 0.464 186 Y N 1.445 121.727 120.300 -0.029 0.000 2.181 186 Y HA -0.222 4.328 4.550 -0.000 0.000 0.288 186 Y C 2.189 178.096 175.900 0.011 0.000 1.146 186 Y CA 1.184 59.299 58.100 0.024 0.000 1.164 186 Y CB -0.260 38.269 38.460 0.114 0.000 0.982 186 Y HN -0.201 nan 8.280 nan 0.000 0.515 187 V N 0.735 120.667 119.914 0.030 0.000 2.323 187 V HA -0.260 3.860 4.120 -0.001 0.000 0.244 187 V C 2.508 178.450 176.094 -0.254 0.000 1.041 187 V CA 2.128 64.390 62.300 -0.063 0.000 1.025 187 V CB -0.727 31.089 31.823 -0.011 0.000 0.656 187 V HN 0.330 nan 8.190 nan 0.000 0.451 188 R N 0.276 120.495 120.500 -0.468 0.000 2.105 188 R HA -0.202 4.138 4.340 -0.001 0.000 0.239 188 R C 1.438 177.570 176.300 -0.279 0.000 1.135 188 R CA 2.042 57.718 56.100 -0.706 0.000 0.967 188 R CB -0.219 29.768 30.300 -0.522 0.000 0.861 188 R HN 0.477 nan 8.270 nan 0.000 0.442 189 D N -0.434 119.854 120.400 -0.187 0.000 2.328 189 D HA 0.105 4.745 4.640 -0.001 0.000 0.221 189 D C 0.468 176.694 176.300 -0.123 0.000 1.072 189 D CA 0.405 54.336 54.000 -0.115 0.000 0.850 189 D CB 0.491 41.233 40.800 -0.098 0.000 0.922 189 D HN 0.347 nan 8.370 nan 0.000 0.516 190 G N 0.470 109.189 108.800 -0.135 0.000 2.543 190 G HA2 0.321 4.281 3.960 -0.001 0.000 0.290 190 G HA3 0.321 4.281 3.960 -0.001 0.000 0.290 190 G C 0.389 175.282 174.900 -0.011 0.000 1.310 190 G CA -0.517 44.498 45.100 -0.143 0.000 1.025 190 G HN 0.175 nan 8.290 nan 0.000 0.502 191 N N -1.976 116.722 118.700 -0.003 0.000 2.538 191 N HA 0.131 4.870 4.740 -0.001 0.000 0.292 191 N C 0.978 176.536 175.510 0.081 0.000 1.262 191 N CA -0.235 52.836 53.050 0.034 0.000 0.976 191 N CB 0.595 39.090 38.487 0.013 0.000 1.161 191 N HN 0.664 nan 8.380 nan 0.000 0.598 192 E N -1.042 119.201 120.200 0.072 0.000 2.516 192 E HA -0.081 4.268 4.350 -0.001 0.000 0.199 192 E C 0.498 177.207 176.600 0.182 0.000 1.069 192 E CA 0.511 56.973 56.400 0.103 0.000 0.876 192 E CB -0.168 29.557 29.700 0.042 0.000 0.843 192 E HN 0.487 nan 8.360 nan 0.000 0.530 193 R N 0.282 120.875 120.500 0.154 0.000 2.359 193 R HA 0.247 4.587 4.340 -0.001 0.000 0.231 193 R C -0.348 176.152 176.300 0.334 0.000 0.913 193 R CA -0.227 55.984 56.100 0.185 0.000 1.075 193 R CB 0.360 30.692 30.300 0.055 0.000 1.087 193 R HN 0.099 nan 8.270 nan 0.000 0.515 194 L N 0.215 121.601 121.223 0.272 0.000 2.356 194 L HA 0.681 5.021 4.340 -0.001 0.000 0.277 194 L C -1.073 175.766 176.870 -0.051 0.000 0.996 194 L CA -0.574 54.344 54.840 0.130 0.000 0.822 194 L CB 1.685 43.789 42.059 0.075 0.000 1.256 194 L HN -0.006 nan 8.230 nan 0.000 0.413 195 A N 3.590 126.192 122.820 -0.363 0.000 2.524 195 A HA 1.063 5.383 4.320 -0.001 0.000 0.286 195 A C -1.382 175.985 177.584 -0.360 0.000 1.203 195 A CA -0.124 51.583 52.037 -0.549 0.000 0.736 195 A CB 1.589 19.804 19.000 -1.309 0.000 1.322 195 A HN 1.328 nan 8.150 nan 0.000 0.424 196 A N -0.536 121.986 122.820 -0.495 0.000 2.572 196 A HA 0.833 5.153 4.320 -0.001 0.000 0.295 196 A C -0.289 176.910 177.584 -0.641 0.000 1.072 196 A CA 0.165 51.969 52.037 -0.388 0.000 0.691 196 A CB 1.033 19.914 19.000 -0.198 0.000 1.291 196 A HN 1.984 nan 8.150 nan 0.000 0.404 197 T N -0.867 113.462 114.554 -0.375 0.000 2.925 197 T HA 0.817 5.166 4.350 -0.001 0.000 0.285 197 T C -0.407 174.272 174.700 -0.034 0.000 1.021 197 T CA -0.520 61.443 62.100 -0.228 0.000 1.042 197 T CB 0.901 69.754 68.868 -0.025 0.000 1.037 197 T HN 0.561 nan 8.240 nan 0.000 0.481 198 I N 2.094 122.751 120.570 0.145 0.000 2.569 198 I HA 0.357 4.527 4.170 -0.001 0.000 0.290 198 I C 0.688 177.064 176.117 0.431 0.000 1.088 198 I CA -1.044 60.404 61.300 0.247 0.000 1.047 198 I CB 2.634 40.797 38.000 0.272 0.000 1.237 198 I HN 0.960 nan 8.210 nan 0.000 0.421 199 T N 2.112 116.872 114.554 0.343 0.000 2.849 199 T HA 0.313 4.662 4.350 -0.001 0.000 0.284 199 T C -1.667 173.142 174.700 0.183 0.000 1.004 199 T CA -1.444 60.832 62.100 0.293 0.000 1.021 199 T CB 1.321 70.298 68.868 0.182 0.000 1.013 199 T HN 0.392 nan 8.240 nan 0.000 0.527 200 P HA -0.160 nan 4.420 nan 0.000 0.217 200 P C 1.735 178.919 177.300 -0.193 0.000 1.151 200 P CA 1.161 64.013 63.100 -0.412 0.000 0.828 200 P CB -0.008 31.347 31.700 -0.576 0.000 0.788 201 Q N 0.451 120.112 119.800 -0.231 0.000 2.124 201 Q HA -0.203 4.137 4.340 -0.001 0.000 0.202 201 Q C 1.606 177.527 176.000 -0.131 0.000 0.977 201 Q CA 1.782 57.496 55.803 -0.148 0.000 0.850 201 Q CB -1.692 26.858 28.738 -0.313 0.000 0.901 201 Q HN 0.420 nan 8.270 nan 0.000 0.429 202 H N 0.175 119.247 119.070 0.004 0.000 2.529 202 H HA 0.186 4.741 4.556 -0.001 0.000 0.277 202 H C 1.879 177.218 175.328 0.018 0.000 0.999 202 H CA 0.728 56.795 56.048 0.032 0.000 1.256 202 H CB 0.261 30.029 29.762 0.010 0.000 1.402 202 H HN 0.118 nan 8.280 nan 0.000 0.566 203 L N -0.742 120.524 121.223 0.070 0.000 2.202 203 L HA -0.008 4.332 4.340 -0.001 0.000 0.205 203 L C 1.861 178.674 176.870 -0.096 0.000 1.083 203 L CA 0.744 55.583 54.840 -0.001 0.000 0.790 203 L CB -0.060 42.000 42.059 0.003 0.000 0.942 203 L HN 0.316 nan 8.230 nan 0.000 0.452 204 M N -1.543 117.917 119.600 -0.233 0.000 2.334 204 M HA 0.075 4.555 4.480 -0.001 0.000 0.266 204 M C 0.057 176.011 176.300 -0.576 0.000 1.082 204 M CA 1.285 56.274 55.300 -0.518 0.000 1.141 204 M CB 0.332 32.358 32.600 -0.956 0.000 1.380 204 M HN -0.028 nan 8.290 nan 0.000 0.440 205 F N -0.396 119.488 119.950 -0.110 0.000 2.640 205 F HA 0.364 4.891 4.527 -0.000 0.000 0.324 205 F C -0.079 175.792 175.800 0.120 0.000 1.077 205 F CA -1.403 56.484 58.000 -0.188 0.000 0.965 205 F CB 1.421 40.315 39.000 -0.178 0.000 1.351 205 F HN 0.036 nan 8.300 nan 0.000 0.487 206 N N -1.056 118.010 118.700 0.609 0.000 3.038 206 N HA 0.352 5.091 4.740 -0.001 0.000 0.307 206 N C 0.192 175.906 175.510 0.340 0.000 1.441 206 N CA -1.067 52.218 53.050 0.392 0.000 0.772 206 N CB 0.851 39.507 38.487 0.281 0.000 1.651 206 N HN 0.568 nan 8.380 nan 0.000 0.593 207 R N -0.652 119.988 120.500 0.234 0.000 2.193 207 R HA -0.041 4.299 4.340 -0.001 0.000 0.229 207 R C 0.312 176.672 176.300 0.101 0.000 1.110 207 R CA 1.229 57.446 56.100 0.195 0.000 0.988 207 R CB -0.764 29.664 30.300 0.215 0.000 0.871 207 R HN 0.430 nan 8.270 nan 0.000 0.458 208 N N 1.186 119.902 118.700 0.026 0.000 2.149 208 N HA -0.147 4.593 4.740 -0.001 0.000 0.188 208 N C 1.290 176.717 175.510 -0.139 0.000 1.019 208 N CA 1.533 54.528 53.050 -0.093 0.000 0.857 208 N CB -0.401 37.973 38.487 -0.189 0.000 0.997 208 N HN 0.524 nan 8.380 nan 0.000 0.426 209 H N -0.811 118.244 119.070 -0.025 0.000 2.457 209 H HA 0.052 4.608 4.556 -0.000 0.000 0.294 209 H C 1.893 177.120 175.328 -0.167 0.000 1.064 209 H CA 1.037 56.996 56.048 -0.149 0.000 1.330 209 H CB 0.012 29.567 29.762 -0.345 0.000 1.395 209 H HN 0.204 nan 8.280 nan 0.000 0.541 210 M N -0.251 119.368 119.600 0.031 0.000 2.447 210 M HA 0.048 4.528 4.480 -0.001 0.000 0.264 210 M C 0.500 176.813 176.300 0.022 0.000 1.095 210 M CA 1.284 56.602 55.300 0.031 0.000 1.125 210 M CB 0.524 33.185 32.600 0.102 0.000 1.389 210 M HN 0.259 nan 8.290 nan 0.000 0.459 211 L N -1.196 120.035 121.223 0.012 0.000 2.948 211 L HA 0.279 4.619 4.340 -0.001 0.000 0.259 211 L C -0.061 176.798 176.870 -0.018 0.000 1.136 211 L CA -0.455 54.388 54.840 0.006 0.000 0.959 211 L CB 1.265 43.342 42.059 0.030 0.000 1.370 211 L HN -0.167 nan 8.230 nan 0.000 0.552 212 V N 1.254 121.145 119.914 -0.039 0.000 2.461 212 V HA 0.483 4.603 4.120 -0.001 0.000 0.275 212 V C 1.219 177.289 176.094 -0.041 0.000 1.047 212 V CA 0.615 62.887 62.300 -0.047 0.000 0.955 212 V CB 0.664 32.443 31.823 -0.074 0.000 0.988 212 V HN 0.539 nan 8.190 nan 0.000 0.471 213 G N 3.442 112.223 108.800 -0.031 0.000 2.179 213 G HA2 0.121 4.080 3.960 -0.001 0.000 0.260 213 G HA3 0.121 4.080 3.960 -0.001 0.000 0.260 213 G C 0.581 175.469 174.900 -0.021 0.000 0.977 213 G CA -0.120 44.965 45.100 -0.025 0.000 0.641 213 G HN 2.095 nan 8.290 nan 0.000 0.533 214 G N -2.588 106.199 108.800 -0.021 0.000 2.345 214 G HA2 0.480 4.440 3.960 -0.001 0.000 0.310 214 G HA3 0.480 4.440 3.960 -0.001 0.000 0.310 214 G C -0.830 174.057 174.900 -0.021 0.000 1.476 214 G CA 0.231 45.320 45.100 -0.020 0.000 0.978 214 G HN 1.628 nan 8.290 nan 0.000 0.656 215 V N 0.884 120.783 119.914 -0.026 0.000 2.432 215 V HA 0.734 4.854 4.120 -0.001 0.000 0.275 215 V C 0.330 176.403 176.094 -0.034 0.000 1.043 215 V CA -0.613 61.669 62.300 -0.031 0.000 0.925 215 V CB 0.832 32.626 31.823 -0.048 0.000 0.985 215 V HN 0.657 nan 8.190 nan 0.000 0.466 216 R N 8.001 128.489 120.500 -0.020 0.000 2.335 216 R HA 0.343 4.683 4.340 -0.001 0.000 0.302 216 R C -1.909 174.386 176.300 -0.008 0.000 1.147 216 R CA -1.654 54.442 56.100 -0.008 0.000 1.111 216 R CB 1.290 31.589 30.300 -0.001 0.000 1.122 216 R HN 0.611 nan 8.270 nan 0.000 0.557 217 P HA -0.165 nan 4.420 nan 0.000 0.222 217 P C 0.448 177.683 177.300 -0.108 0.000 1.147 217 P CA 1.142 64.160 63.100 -0.136 0.000 0.790 217 P CB 0.239 31.773 31.700 -0.277 0.000 0.780 218 H N -0.689 118.446 119.070 0.108 0.000 2.559 218 H HA 0.140 4.696 4.556 -0.001 0.000 0.273 218 H C 1.786 177.251 175.328 0.229 0.000 1.000 218 H CA 0.669 56.815 56.048 0.163 0.000 1.195 218 H CB -0.132 29.717 29.762 0.144 0.000 1.368 218 H HN 0.250 nan 8.280 nan 0.000 0.592 219 L N -0.228 121.142 121.223 0.246 0.000 2.607 219 L HA 0.040 4.380 4.340 -0.001 0.000 0.228 219 L C 0.309 177.273 176.870 0.157 0.000 1.123 219 L CA -0.226 54.745 54.840 0.218 0.000 0.890 219 L CB 0.064 42.188 42.059 0.108 0.000 1.103 219 L HN 0.084 nan 8.230 nan 0.000 0.468 220 Y N 2.286 122.602 120.300 0.026 0.000 2.393 220 Y HA 0.350 4.900 4.550 -0.000 0.000 0.338 220 Y C 0.129 176.026 175.900 -0.004 0.000 1.029 220 Y CA -1.346 56.752 58.100 -0.005 0.000 1.239 220 Y CB 0.435 38.871 38.460 -0.039 0.000 1.170 220 Y HN 0.208 nan 8.280 nan 0.000 0.515 221 C N 5.504 124.485 119.300 -0.532 0.000 3.321 221 C HA 0.746 5.206 4.460 -0.001 0.000 0.329 221 C C -1.579 173.153 174.990 -0.430 0.000 1.394 221 C CA -1.638 57.127 59.018 -0.421 0.000 1.291 221 C CB 0.800 28.424 27.740 -0.193 0.000 1.606 221 C HN 0.842 nan 8.230 nan 0.000 0.463 222 L N 1.513 122.569 121.223 -0.278 0.000 2.334 222 L HA 0.624 4.964 4.340 -0.001 0.000 0.276 222 L C -2.343 174.350 176.870 -0.295 0.000 1.014 222 L CA -1.725 52.999 54.840 -0.193 0.000 0.815 222 L CB 1.998 44.027 42.059 -0.050 0.000 1.268 222 L HN 0.489 nan 8.230 nan 0.000 0.428 223 P HA 0.146 nan 4.420 nan 0.000 0.271 223 P C -0.198 177.034 177.300 -0.113 0.000 1.218 223 P CA -0.308 62.634 63.100 -0.263 0.000 0.780 223 P CB 0.790 32.277 31.700 -0.356 0.000 0.901 224 I N 2.472 122.964 120.570 -0.130 0.000 2.813 224 I HA -0.055 4.115 4.170 -0.001 0.000 0.287 224 I C 0.247 176.437 176.117 0.121 0.000 1.196 224 I CA -0.125 61.131 61.300 -0.074 0.000 1.421 224 I CB 0.261 38.105 38.000 -0.259 0.000 1.365 224 I HN 0.178 nan 8.210 nan 0.000 0.591 225 L N 7.766 129.110 121.223 0.202 0.000 2.559 225 L HA -0.013 4.327 4.340 -0.001 0.000 0.282 225 L C 0.341 177.431 176.870 0.367 0.000 1.232 225 L CA 0.448 55.463 54.840 0.291 0.000 0.885 225 L CB -0.183 42.014 42.059 0.231 0.000 1.131 225 L HN 0.577 nan 8.230 nan 0.000 0.498 226 K N 3.214 123.810 120.400 0.326 0.000 2.288 226 K HA 0.430 4.750 4.320 -0.001 0.000 0.234 226 K C -0.224 176.536 176.600 0.267 0.000 1.037 226 K CA -1.086 55.393 56.287 0.320 0.000 0.914 226 K CB 0.590 33.188 32.500 0.163 0.000 1.197 226 K HN 0.415 nan 8.250 nan 0.000 0.471 227 R N 1.548 122.201 120.500 0.255 0.000 2.758 227 R HA -0.106 4.234 4.340 -0.001 0.000 0.263 227 R C 1.433 177.821 176.300 0.147 0.000 1.010 227 R CA 0.389 56.583 56.100 0.156 0.000 1.114 227 R CB 0.212 30.595 30.300 0.139 0.000 0.985 227 R HN 0.649 nan 8.270 nan 0.000 0.439 228 N N 3.426 122.170 118.700 0.075 0.000 2.132 228 N HA -0.226 4.514 4.740 -0.001 0.000 0.191 228 N C 1.691 177.205 175.510 0.007 0.000 1.015 228 N CA 2.002 55.089 53.050 0.063 0.000 0.864 228 N CB -0.179 38.330 38.487 0.038 0.000 1.006 228 N HN 0.693 nan 8.380 nan 0.000 0.430 229 I N -1.645 118.873 120.570 -0.087 0.000 2.335 229 I HA -0.217 3.952 4.170 -0.001 0.000 0.251 229 I C 1.859 177.844 176.117 -0.221 0.000 1.129 229 I CA 1.315 62.503 61.300 -0.187 0.000 1.402 229 I CB -0.702 37.127 38.000 -0.285 0.000 1.069 229 I HN 0.115 nan 8.210 nan 0.000 0.424 230 H N 1.000 120.083 119.070 0.023 0.000 2.363 230 H HA -0.122 4.433 4.556 -0.001 0.000 0.301 230 H C 2.208 177.549 175.328 0.021 0.000 1.074 230 H CA 1.856 57.915 56.048 0.018 0.000 1.354 230 H CB -0.404 29.379 29.762 0.035 0.000 1.397 230 H HN 0.557 nan 8.280 nan 0.000 0.516 231 Q N 0.716 120.611 119.800 0.159 0.000 2.077 231 Q HA -0.194 4.146 4.340 -0.001 0.000 0.206 231 Q C 1.994 178.022 176.000 0.047 0.000 0.989 231 Q CA 1.445 57.316 55.803 0.113 0.000 0.853 231 Q CB 0.251 29.069 28.738 0.133 0.000 0.907 231 Q HN 0.351 nan 8.270 nan 0.000 0.418 232 Q N -0.244 119.570 119.800 0.022 0.000 2.124 232 Q HA -0.101 4.239 4.340 -0.001 0.000 0.202 232 Q C 1.987 177.971 176.000 -0.027 0.000 0.977 232 Q CA 1.430 57.227 55.803 -0.010 0.000 0.850 232 Q CB -0.519 28.207 28.738 -0.020 0.000 0.901 232 Q HN 0.499 nan 8.270 nan 0.000 0.429 233 A N 0.807 123.614 122.820 -0.023 0.000 1.933 233 A HA -0.133 4.186 4.320 -0.001 0.000 0.218 233 A C 2.254 179.814 177.584 -0.041 0.000 1.175 233 A CA 1.109 53.127 52.037 -0.031 0.000 0.628 233 A CB -0.669 18.321 19.000 -0.015 0.000 0.814 233 A HN 0.320 nan 8.150 nan 0.000 0.444 234 L N -1.267 119.943 121.223 -0.022 0.000 2.056 234 L HA -0.164 4.176 4.340 -0.001 0.000 0.207 234 L C 2.845 179.672 176.870 -0.072 0.000 1.078 234 L CA 1.399 56.217 54.840 -0.036 0.000 0.749 234 L CB -0.496 41.564 42.059 0.001 0.000 0.901 234 L HN 0.331 nan 8.230 nan 0.000 0.433 235 R N 0.192 120.645 120.500 -0.077 0.000 2.081 235 R HA -0.172 4.168 4.340 -0.001 0.000 0.235 235 R C 2.199 178.409 176.300 -0.150 0.000 1.131 235 R CA 1.516 57.534 56.100 -0.136 0.000 0.960 235 R CB -0.293 29.945 30.300 -0.104 0.000 0.856 235 R HN 0.431 nan 8.270 nan 0.000 0.436 236 E N 0.540 120.681 120.200 -0.098 0.000 2.110 236 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 236 E C 1.913 178.461 176.600 -0.086 0.000 0.988 236 E CA 0.875 57.226 56.400 -0.082 0.000 0.804 236 E CB -0.094 29.570 29.700 -0.060 0.000 0.745 236 E HN 0.098 nan 8.360 nan 0.000 0.458 237 L N 1.015 122.182 121.223 -0.092 0.000 1.989 237 L HA -0.173 4.167 4.340 -0.001 0.000 0.211 237 L C 2.463 179.312 176.870 -0.036 0.000 1.071 237 L CA 1.666 56.454 54.840 -0.086 0.000 0.749 237 L CB -0.615 41.378 42.059 -0.109 0.000 0.890 237 L HN 0.146 nan 8.230 nan 0.000 0.431 238 V N -2.322 117.532 119.914 -0.100 0.000 2.427 238 V HA -0.088 4.031 4.120 -0.001 0.000 0.248 238 V C 2.442 178.441 176.094 -0.158 0.000 1.051 238 V CA 1.442 63.659 62.300 -0.138 0.000 1.048 238 V CB -1.846 29.710 31.823 -0.446 0.000 0.666 238 V HN 0.429 nan 8.190 nan 0.000 0.456 239 A N 1.471 124.153 122.820 -0.229 0.000 2.067 239 A HA -0.076 4.244 4.320 -0.001 0.000 0.219 239 A C 2.485 180.103 177.584 0.057 0.000 1.158 239 A CA 1.864 53.847 52.037 -0.091 0.000 0.661 239 A CB -0.861 18.069 19.000 -0.117 0.000 0.801 239 A HN 0.972 nan 8.150 nan 0.000 0.452 240 S N -1.686 114.005 115.700 -0.015 0.000 2.481 240 S HA 0.282 4.751 4.470 -0.001 0.000 0.231 240 S C 1.577 176.044 174.600 -0.221 0.000 0.996 240 S CA 1.221 59.405 58.200 -0.027 0.000 0.942 240 S CB -0.491 62.710 63.200 0.002 0.000 0.768 240 S HN 1.883 nan 8.310 nan 0.000 0.520 241 G N 0.514 109.065 108.800 -0.415 0.000 2.157 241 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.248 241 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.248 241 G C -0.077 174.722 174.900 -0.167 0.000 0.979 241 G CA -0.032 44.610 45.100 -0.762 0.000 0.650 241 G HN 0.696 nan 8.290 nan 0.000 0.529 242 F N 2.597 122.469 119.950 -0.130 0.000 2.604 242 F HA 0.268 4.795 4.527 -0.000 0.000 0.393 242 F C 1.291 177.098 175.800 0.013 0.000 1.043 242 F CA 0.389 58.362 58.000 -0.044 0.000 1.227 242 F CB 0.618 39.599 39.000 -0.031 0.000 1.016 242 F HN 0.211 nan 8.300 nan 0.000 0.556 243 N N 4.826 123.124 118.700 -0.668 0.000 2.270 243 N HA 0.019 4.759 4.740 -0.001 0.000 0.198 243 N C 0.327 175.595 175.510 -0.404 0.000 1.117 243 N CA 0.307 53.131 53.050 -0.376 0.000 0.845 243 N CB -0.128 38.229 38.487 -0.216 0.000 0.980 243 N HN 0.718 nan 8.380 nan 0.000 0.486 244 R N 0.041 120.035 120.500 -0.845 0.000 2.633 244 R HA 0.304 4.643 4.340 -0.001 0.000 0.348 244 R C -0.833 175.399 176.300 -0.113 0.000 1.100 244 R CA -0.186 55.695 56.100 -0.365 0.000 1.068 244 R CB 0.959 31.057 30.300 -0.336 0.000 1.351 244 R HN 0.037 nan 8.270 nan 0.000 0.575 245 V N 1.355 121.282 119.914 0.023 0.000 2.680 245 V HA 0.698 4.818 4.120 -0.001 0.000 0.309 245 V C -1.400 174.714 176.094 0.032 0.000 1.052 245 V CA -0.729 61.560 62.300 -0.017 0.000 0.908 245 V CB 1.502 33.490 31.823 0.274 0.000 1.001 245 V HN 0.244 nan 8.190 nan 0.000 0.431 246 F N 3.349 123.207 119.950 -0.153 0.000 2.711 246 F HA 0.573 5.100 4.527 -0.000 0.000 0.313 246 F C -0.948 174.322 175.800 -0.885 0.000 1.141 246 F CA -1.362 56.242 58.000 -0.660 0.000 0.941 246 F CB 1.459 40.193 39.000 -0.442 0.000 1.349 246 F HN 0.495 nan 8.300 nan 0.000 0.464 247 L N 1.857 122.500 121.223 -0.966 0.000 2.534 247 L HA 0.574 4.914 4.340 -0.001 0.000 0.271 247 L C -0.014 176.910 176.870 0.089 0.000 1.178 247 L CA 0.433 54.913 54.840 -0.601 0.000 0.907 247 L CB 0.106 41.885 42.059 -0.466 0.000 1.164 247 L HN 0.980 nan 8.230 nan 0.000 0.482 248 G N 1.873 110.782 108.800 0.182 0.000 2.704 248 G HA2 0.284 4.244 3.960 -0.001 0.000 0.279 248 G HA3 0.284 4.244 3.960 -0.001 0.000 0.279 248 G C 0.532 175.576 174.900 0.240 0.000 1.510 248 G CA 0.251 45.501 45.100 0.249 0.000 1.144 248 G HN 0.720 nan 8.290 nan 0.000 0.564 249 T N -0.391 114.277 114.554 0.189 0.000 2.867 249 T HA -0.047 4.302 4.350 -0.001 0.000 0.268 249 T C 1.200 175.942 174.700 0.069 0.000 1.057 249 T CA 1.248 63.443 62.100 0.158 0.000 1.136 249 T CB -0.185 68.725 68.868 0.070 0.000 0.874 249 T HN 0.626 nan 8.240 nan 0.000 0.466 250 D N 1.008 121.442 120.400 0.056 0.000 2.751 250 D HA -0.167 4.473 4.640 -0.001 0.000 0.233 250 D C -0.172 176.242 176.300 0.190 0.000 1.149 250 D CA 0.698 54.752 54.000 0.089 0.000 0.682 250 D CB -1.750 39.001 40.800 -0.082 0.000 1.068 250 D HN 0.579 nan 8.370 nan 0.000 0.429 251 S N -0.403 115.397 115.700 0.167 0.000 2.544 251 S HA 0.437 4.906 4.470 -0.001 0.000 0.290 251 S C 0.168 174.948 174.600 0.300 0.000 1.276 251 S CA 0.440 58.740 58.200 0.166 0.000 1.075 251 S CB 0.389 63.661 63.200 0.121 0.000 0.849 251 S HN 0.635 nan 8.310 nan 0.000 0.494 252 A N 7.237 130.199 122.820 0.236 0.000 3.127 252 A HA 0.519 4.839 4.320 -0.001 0.000 0.319 252 A C -2.890 174.684 177.584 -0.018 0.000 1.104 252 A CA -1.239 50.857 52.037 0.099 0.000 0.802 252 A CB 0.860 19.869 19.000 0.016 0.000 1.193 252 A HN 0.632 nan 8.150 nan 0.000 0.479 253 P HA 0.398 nan 4.420 nan 0.000 0.279 253 P C -0.952 176.092 177.300 -0.426 0.000 1.239 253 P CA 0.389 63.388 63.100 -0.170 0.000 0.789 253 P CB 0.857 32.319 31.700 -0.396 0.000 0.933 254 H N 0.058 119.129 119.070 0.002 0.000 2.851 254 H HA 0.429 4.985 4.556 -0.000 0.000 0.372 254 H C -0.093 175.242 175.328 0.010 0.000 1.158 254 H CA -0.755 55.299 56.048 0.009 0.000 1.159 254 H CB 2.305 32.090 29.762 0.039 0.000 1.757 254 H HN 0.499 nan 8.280 nan 0.000 0.546 255 A N 1.827 124.725 122.820 0.130 0.000 2.520 255 A HA -0.009 4.311 4.320 -0.001 0.000 0.235 255 A C 1.815 179.472 177.584 0.122 0.000 1.065 255 A CA 0.248 52.343 52.037 0.097 0.000 0.764 255 A CB 0.185 19.241 19.000 0.093 0.000 1.002 255 A HN 0.948 nan 8.150 nan 0.000 0.502 256 R N 0.324 120.880 120.500 0.094 0.000 2.112 256 R HA -0.236 4.103 4.340 -0.001 0.000 0.242 256 R C 1.116 177.359 176.300 -0.094 0.000 1.137 256 R CA 2.584 58.701 56.100 0.029 0.000 0.944 256 R CB -0.414 29.838 30.300 -0.080 0.000 0.857 256 R HN 0.937 nan 8.270 nan 0.000 0.435 257 H N -0.623 118.488 119.070 0.068 0.000 2.547 257 H HA 0.148 4.704 4.556 -0.001 0.000 0.266 257 H C 1.496 176.834 175.328 0.017 0.000 0.988 257 H CA 0.182 56.252 56.048 0.037 0.000 1.147 257 H CB 0.413 30.191 29.762 0.027 0.000 1.365 257 H HN 0.106 nan 8.280 nan 0.000 0.589 258 R N 0.211 120.767 120.500 0.092 0.000 2.173 258 R HA 0.066 4.406 4.340 -0.001 0.000 0.208 258 R C 1.509 177.784 176.300 -0.041 0.000 1.035 258 R CA 0.414 56.532 56.100 0.031 0.000 1.004 258 R CB 0.166 30.498 30.300 0.052 0.000 0.917 258 R HN 0.223 nan 8.270 nan 0.000 0.462 259 K N 1.135 121.514 120.400 -0.035 0.000 2.098 259 K HA 0.023 4.343 4.320 -0.001 0.000 0.203 259 K C 0.263 176.756 176.600 -0.179 0.000 1.051 259 K CA 0.747 56.961 56.287 -0.122 0.000 0.957 259 K CB 0.200 32.619 32.500 -0.135 0.000 0.738 259 K HN 0.272 nan 8.250 nan 0.000 0.447 260 E N 1.932 122.045 120.200 -0.146 0.000 2.079 260 E HA 0.138 4.488 4.350 -0.001 0.000 0.252 260 E C -0.497 176.074 176.600 -0.047 0.000 0.992 260 E CA -0.380 55.943 56.400 -0.129 0.000 0.829 260 E CB 0.681 30.293 29.700 -0.147 0.000 1.158 260 E HN 0.147 nan 8.360 nan 0.000 0.435 261 S N -0.235 115.432 115.700 -0.054 0.000 2.661 261 S HA 0.165 4.635 4.470 -0.001 0.000 0.268 261 S C 0.857 175.427 174.600 -0.051 0.000 1.162 261 S CA -0.326 57.861 58.200 -0.023 0.000 0.817 261 S CB 0.978 64.170 63.200 -0.013 0.000 1.141 261 S HN 0.257 nan 8.310 nan 0.000 0.477 262 S N -0.838 114.839 115.700 -0.038 0.000 2.447 262 S HA 0.030 4.499 4.470 -0.001 0.000 0.233 262 S C 0.838 175.395 174.600 -0.072 0.000 1.006 262 S CA 0.699 58.870 58.200 -0.050 0.000 0.957 262 S CB -0.807 62.373 63.200 -0.034 0.000 0.773 262 S HN 1.338 nan 8.310 nan 0.000 0.507 263 C N 2.404 121.658 119.300 -0.077 0.000 3.123 263 C HA 0.705 5.164 4.460 -0.001 0.000 0.284 263 C C 0.688 175.613 174.990 -0.107 0.000 1.076 263 C CA -0.720 58.240 59.018 -0.096 0.000 1.416 263 C CB -0.438 27.262 27.740 -0.067 0.000 1.841 263 C HN 0.588 nan 8.230 nan 0.000 0.501 264 G N 3.203 111.909 108.800 -0.156 0.000 2.403 264 G HA2 0.433 4.393 3.960 -0.001 0.000 0.259 264 G HA3 0.433 4.393 3.960 -0.001 0.000 0.259 264 G C 0.271 175.115 174.900 -0.092 0.000 1.244 264 G CA -0.039 44.973 45.100 -0.147 0.000 0.849 264 G HN 0.916 nan 8.290 nan 0.000 0.532 265 C N 1.149 120.363 119.300 -0.143 0.000 2.652 265 C HA 0.535 4.995 4.460 -0.001 0.000 0.412 265 C C 1.295 176.235 174.990 -0.083 0.000 1.294 265 C CA -0.312 58.559 59.018 -0.246 0.000 2.127 265 C CB 0.091 27.355 27.740 -0.793 0.000 2.691 265 C HN 0.896 nan 8.230 nan 0.000 0.615 266 A N 2.337 125.132 122.820 -0.042 0.000 2.366 266 A HA 0.696 5.016 4.320 -0.001 0.000 0.272 266 A C 0.446 178.042 177.584 0.019 0.000 1.135 266 A CA 0.473 52.430 52.037 -0.134 0.000 0.804 266 A CB -0.200 18.609 19.000 -0.318 0.000 1.064 266 A HN 1.873 nan 8.150 nan 0.000 0.499 267 G N 0.196 109.025 108.800 0.048 0.000 2.277 267 G HA2 0.349 4.308 3.960 -0.001 0.000 0.272 267 G HA3 0.349 4.308 3.960 -0.001 0.000 0.272 267 G C -0.965 174.031 174.900 0.161 0.000 1.692 267 G CA -0.525 44.653 45.100 0.131 0.000 0.926 267 G HN 1.077 nan 8.290 nan 0.000 0.720 268 C N 1.766 121.100 119.300 0.057 0.000 2.303 268 C HA 0.577 5.037 4.460 -0.001 0.000 0.326 268 C C 0.337 175.389 174.990 0.102 0.000 1.285 268 C CA -0.529 58.506 59.018 0.029 0.000 1.675 268 C CB 0.364 27.891 27.740 -0.354 0.000 2.289 268 C HN 0.659 nan 8.230 nan 0.000 0.512 269 F N 5.556 125.542 119.950 0.059 0.000 2.567 269 F HA 0.261 4.788 4.527 -0.001 0.000 0.352 269 F C 0.999 176.831 175.800 0.053 0.000 1.229 269 F CA -0.793 57.228 58.000 0.034 0.000 1.228 269 F CB -0.179 38.833 39.000 0.021 0.000 1.568 269 F HN 0.721 nan 8.300 nan 0.000 0.634 270 N N 2.663 121.185 118.700 -0.296 0.000 2.205 270 N HA 0.121 4.861 4.740 -0.001 0.000 0.201 270 N C 1.455 176.790 175.510 -0.292 0.000 1.128 270 N CA 0.534 53.440 53.050 -0.240 0.000 0.867 270 N CB -0.343 37.969 38.487 -0.291 0.000 0.996 270 N HN 0.328 nan 8.380 nan 0.000 0.503 271 A N 1.686 124.216 122.820 -0.482 0.000 1.917 271 A HA -0.057 4.263 4.320 -0.001 0.000 0.219 271 A C -0.145 177.358 177.584 -0.135 0.000 1.182 271 A CA 1.402 53.298 52.037 -0.234 0.000 0.633 271 A CB -1.542 17.384 19.000 -0.124 0.000 0.819 271 A HN 0.317 nan 8.150 nan 0.000 0.448 272 P HA -0.068 nan 4.420 nan 0.000 0.222 272 P C 1.179 178.489 177.300 0.017 0.000 1.147 272 P CA 1.928 64.977 63.100 -0.085 0.000 0.790 272 P CB -0.042 31.511 31.700 -0.246 0.000 0.780 273 T N -5.955 108.598 114.554 -0.002 0.000 3.004 273 T HA 0.457 4.806 4.350 -0.001 0.000 0.266 273 T C 1.653 176.411 174.700 0.095 0.000 0.986 273 T CA 0.348 62.486 62.100 0.063 0.000 0.902 273 T CB -0.403 68.502 68.868 0.062 0.000 1.118 273 T HN -0.079 nan 8.240 nan 0.000 0.522 274 A N 1.967 124.847 122.820 0.100 0.000 1.877 274 A HA 0.132 4.452 4.320 -0.001 0.000 0.216 274 A C 2.164 179.880 177.584 0.221 0.000 1.186 274 A CA 1.488 53.569 52.037 0.073 0.000 0.620 274 A CB -0.898 18.183 19.000 0.135 0.000 0.822 274 A HN 0.423 nan 8.150 nan 0.000 0.443 275 L N 0.062 121.504 121.223 0.364 0.000 2.017 275 L HA -0.025 4.315 4.340 -0.001 0.000 0.208 275 L C 2.448 179.542 176.870 0.374 0.000 1.073 275 L CA 2.356 57.471 54.840 0.459 0.000 0.745 275 L CB -1.032 41.189 42.059 0.271 0.000 0.894 275 L HN 0.317 nan 8.230 nan 0.000 0.432 276 G N -1.949 106.998 108.800 0.244 0.000 2.432 276 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.219 276 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.219 276 G C 1.575 176.581 174.900 0.177 0.000 1.135 276 G CA 0.868 46.099 45.100 0.219 0.000 0.767 276 G HN 0.476 nan 8.290 nan 0.000 0.550 277 S N -0.089 115.687 115.700 0.127 0.000 2.368 277 S HA -0.077 4.393 4.470 -0.001 0.000 0.224 277 S C 2.006 176.650 174.600 0.074 0.000 1.029 277 S CA 0.917 59.142 58.200 0.042 0.000 0.988 277 S CB -0.459 62.714 63.200 -0.045 0.000 0.838 277 S HN 0.548 nan 8.310 nan 0.000 0.462 278 Y N 1.731 122.154 120.300 0.206 0.000 2.165 278 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 278 Y C 2.752 178.763 175.900 0.185 0.000 1.155 278 Y CA 0.742 59.028 58.100 0.310 0.000 1.164 278 Y CB -0.489 38.295 38.460 0.540 0.000 0.978 278 Y HN 0.287 nan 8.280 nan 0.000 0.513 279 A N -0.259 122.565 122.820 0.007 0.000 1.908 279 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 279 A C 2.232 179.544 177.584 -0.453 0.000 1.181 279 A CA 2.339 53.870 52.037 -0.843 0.000 0.627 279 A CB -1.261 17.003 19.000 -1.227 0.000 0.818 279 A HN 0.419 nan 8.150 nan 0.000 0.445 280 T N -0.349 114.163 114.554 -0.069 0.000 2.746 280 T HA -0.128 4.222 4.350 -0.001 0.000 0.267 280 T C 1.888 176.622 174.700 0.057 0.000 1.039 280 T CA 1.618 63.794 62.100 0.127 0.000 1.142 280 T CB -0.451 68.514 68.868 0.161 0.000 0.866 280 T HN 0.175 nan 8.240 nan 0.000 0.444 281 V N 0.681 120.621 119.914 0.044 0.000 2.295 281 V HA -0.132 3.987 4.120 -0.001 0.000 0.246 281 V C 2.117 178.177 176.094 -0.057 0.000 1.049 281 V CA 1.676 63.964 62.300 -0.020 0.000 1.024 281 V CB -0.786 31.014 31.823 -0.040 0.000 0.648 281 V HN 0.389 nan 8.190 nan 0.000 0.447 282 F N 0.449 120.338 119.950 -0.102 0.000 2.171 282 F HA -0.169 4.357 4.527 -0.000 0.000 0.300 282 F C 2.518 178.260 175.800 -0.097 0.000 1.090 282 F CA 2.034 59.973 58.000 -0.101 0.000 1.293 282 F CB -0.385 38.540 39.000 -0.125 0.000 1.013 282 F HN 0.198 nan 8.300 nan 0.000 0.486 283 E N 0.473 120.700 120.200 0.045 0.000 2.051 283 E HA -0.241 4.109 4.350 -0.001 0.000 0.192 283 E C 1.990 178.628 176.600 0.064 0.000 0.991 283 E CA 1.596 58.036 56.400 0.066 0.000 0.799 283 E CB -0.119 29.681 29.700 0.167 0.000 0.748 283 E HN 0.487 nan 8.360 nan 0.000 0.449 284 E N -0.449 119.778 120.200 0.045 0.000 2.153 284 E HA -0.161 4.189 4.350 -0.001 0.000 0.194 284 E C 1.596 178.196 176.600 0.001 0.000 0.988 284 E CA 0.856 57.269 56.400 0.022 0.000 0.811 284 E CB 0.040 29.744 29.700 0.006 0.000 0.746 284 E HN 0.327 nan 8.360 nan 0.000 0.466 285 M N 0.605 120.191 119.600 -0.024 0.000 2.563 285 M HA 0.051 4.530 4.480 -0.001 0.000 0.231 285 M C -0.150 176.153 176.300 0.005 0.000 1.136 285 M CA 0.227 55.504 55.300 -0.038 0.000 1.026 285 M CB -0.413 32.115 32.600 -0.119 0.000 1.597 285 M HN -0.008 nan 8.290 nan 0.000 0.495 286 N N 1.096 119.813 118.700 0.028 0.000 2.727 286 N HA -0.182 4.558 4.740 -0.001 0.000 0.249 286 N C 0.157 175.703 175.510 0.060 0.000 1.048 286 N CA 0.939 54.014 53.050 0.042 0.000 0.714 286 N CB -1.254 37.253 38.487 0.033 0.000 0.959 286 N HN 0.534 nan 8.380 nan 0.000 0.544 287 A N -0.661 122.218 122.820 0.099 0.000 2.568 287 A HA 0.366 4.685 4.320 -0.001 0.000 0.287 287 A C 1.510 179.249 177.584 0.259 0.000 0.967 287 A CA -0.418 51.728 52.037 0.183 0.000 1.004 287 A CB 0.235 19.384 19.000 0.247 0.000 1.233 287 A HN 0.212 nan 8.150 nan 0.000 0.513 288 L N 0.246 121.543 121.223 0.123 0.000 2.261 288 L HA -0.233 4.107 4.340 -0.001 0.000 0.216 288 L C 2.981 179.874 176.870 0.039 0.000 1.114 288 L CA 1.533 56.407 54.840 0.056 0.000 0.777 288 L CB -0.183 41.844 42.059 -0.052 0.000 0.910 288 L HN 0.745 nan 8.230 nan 0.000 0.440 289 Q N -0.434 119.331 119.800 -0.058 0.000 2.291 289 Q HA -0.231 4.109 4.340 -0.001 0.000 0.206 289 Q C 1.062 176.977 176.000 -0.141 0.000 0.976 289 Q CA 1.564 57.276 55.803 -0.152 0.000 0.875 289 Q CB -0.423 28.154 28.738 -0.269 0.000 0.927 289 Q HN 0.592 nan 8.270 nan 0.000 0.450 290 H N -1.164 118.011 119.070 0.174 0.000 2.586 290 H HA 0.127 4.682 4.556 -0.001 0.000 0.273 290 H C 1.120 176.485 175.328 0.060 0.000 0.997 290 H CA -0.161 56.001 56.048 0.190 0.000 1.177 290 H CB -0.111 29.843 29.762 0.320 0.000 1.471 290 H HN 0.219 nan 8.280 nan 0.000 0.538 291 F N 2.461 122.269 119.950 -0.237 0.000 2.084 291 F HA -0.128 4.399 4.527 -0.001 0.000 0.296 291 F C 2.468 178.077 175.800 -0.319 0.000 1.111 291 F CA 1.726 59.282 58.000 -0.740 0.000 1.224 291 F CB -0.007 38.605 39.000 -0.648 0.000 0.991 291 F HN 0.109 nan 8.300 nan 0.000 0.471 292 E N 0.226 120.276 120.200 -0.251 0.000 2.085 292 E HA -0.249 4.101 4.350 -0.001 0.000 0.194 292 E C 2.244 178.742 176.600 -0.170 0.000 0.994 292 E CA 1.290 57.534 56.400 -0.259 0.000 0.801 292 E CB -0.400 29.259 29.700 -0.068 0.000 0.743 292 E HN 0.457 nan 8.360 nan 0.000 0.453 293 A N 0.536 123.332 122.820 -0.041 0.000 1.902 293 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 293 A C 2.031 179.633 177.584 0.030 0.000 1.181 293 A CA 1.381 53.429 52.037 0.018 0.000 0.623 293 A CB -0.944 18.110 19.000 0.091 0.000 0.818 293 A HN 0.546 nan 8.150 nan 0.000 0.443 294 F N 0.426 120.307 119.950 -0.115 0.000 2.134 294 F HA -0.242 4.284 4.527 -0.001 0.000 0.299 294 F C 2.319 178.047 175.800 -0.119 0.000 1.097 294 F CA 1.979 59.938 58.000 -0.067 0.000 1.264 294 F CB -0.447 38.521 39.000 -0.054 0.000 1.001 294 F HN 0.292 nan 8.300 nan 0.000 0.479 295 C N -0.674 118.477 119.300 -0.249 0.000 2.467 295 C HA 0.065 4.525 4.460 -0.001 0.000 0.279 295 C C 2.268 177.180 174.990 -0.131 0.000 1.347 295 C CA 1.263 60.105 59.018 -0.293 0.000 1.748 295 C CB -0.892 26.550 27.740 -0.496 0.000 1.977 295 C HN 0.562 nan 8.230 nan 0.000 0.501 296 S N -1.522 114.109 115.700 -0.114 0.000 2.817 296 S HA 0.194 4.664 4.470 -0.001 0.000 0.262 296 S C 0.899 175.479 174.600 -0.034 0.000 1.051 296 S CA 0.039 58.204 58.200 -0.057 0.000 1.185 296 S CB 0.614 63.750 63.200 -0.106 0.000 1.152 296 S HN 0.347 nan 8.310 nan 0.000 0.653 297 V N 1.223 121.104 119.914 -0.055 0.000 3.141 297 V HA 0.134 4.254 4.120 -0.001 0.000 0.225 297 V C 1.457 177.478 176.094 -0.121 0.000 1.352 297 V CA 0.284 62.547 62.300 -0.062 0.000 1.316 297 V CB -0.316 31.488 31.823 -0.032 0.000 1.126 297 V HN 0.218 nan 8.190 nan 0.000 0.493 298 N N 1.910 120.536 118.700 -0.124 0.000 2.120 298 N HA -0.093 4.647 4.740 -0.001 0.000 0.188 298 N C 1.829 177.050 175.510 -0.481 0.000 1.024 298 N CA 1.802 54.768 53.050 -0.139 0.000 0.852 298 N CB -0.587 37.927 38.487 0.045 0.000 1.003 298 N HN 0.504 nan 8.380 nan 0.000 0.424 299 G N 1.732 109.949 108.800 -0.971 0.000 2.433 299 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.216 299 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.216 299 G C -0.753 173.343 174.900 -1.340 0.000 1.186 299 G CA 0.512 44.293 45.100 -2.199 0.000 0.779 299 G HN 0.322 nan 8.290 nan 0.000 0.543 300 P HA -0.147 nan 4.420 nan 0.000 0.216 300 P C 1.821 178.991 177.300 -0.217 0.000 1.153 300 P CA 1.591 64.519 63.100 -0.286 0.000 0.858 300 P CB -0.072 31.591 31.700 -0.061 0.000 0.789 301 Q N -1.679 117.997 119.800 -0.206 0.000 2.096 301 Q HA -0.210 4.130 4.340 -0.001 0.000 0.204 301 Q C 1.989 177.922 176.000 -0.111 0.000 0.982 301 Q CA 1.450 57.178 55.803 -0.124 0.000 0.850 301 Q CB -0.625 28.060 28.738 -0.088 0.000 0.901 301 Q HN 0.128 nan 8.270 nan 0.000 0.422 302 F N -0.429 119.341 119.950 -0.300 0.000 2.146 302 F HA -0.163 4.363 4.527 -0.001 0.000 0.298 302 F C 1.292 176.939 175.800 -0.253 0.000 1.096 302 F CA 1.240 59.090 58.000 -0.250 0.000 1.275 302 F CB -0.125 38.738 39.000 -0.228 0.000 1.008 302 F HN 0.118 nan 8.300 nan 0.000 0.480 303 Y N 0.319 120.430 120.300 -0.316 0.000 2.583 303 Y HA 0.201 4.751 4.550 -0.001 0.000 0.293 303 Y C 1.863 177.657 175.900 -0.177 0.000 1.157 303 Y CA 0.628 58.581 58.100 -0.245 0.000 1.315 303 Y CB -0.449 37.864 38.460 -0.246 0.000 1.021 303 Y HN 0.168 nan 8.280 nan 0.000 0.536 304 G N 0.818 109.581 108.800 -0.061 0.000 2.198 304 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.257 304 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.257 304 G C -0.332 174.564 174.900 -0.006 0.000 1.042 304 G CA 0.130 45.200 45.100 -0.050 0.000 0.791 304 G HN 0.267 nan 8.290 nan 0.000 0.502 305 L N -0.350 120.877 121.223 0.007 0.000 2.333 305 L HA 0.581 4.920 4.340 -0.001 0.000 0.269 305 L C -1.901 174.970 176.870 0.001 0.000 1.010 305 L CA -2.614 52.239 54.840 0.022 0.000 0.818 305 L CB 1.895 44.002 42.059 0.080 0.000 1.306 305 L HN -0.113 nan 8.230 nan 0.000 0.430 306 P HA 0.070 nan 4.420 nan 0.000 0.272 306 P C -0.661 176.632 177.300 -0.011 0.000 1.223 306 P CA -0.409 62.682 63.100 -0.015 0.000 0.784 306 P CB 0.561 32.247 31.700 -0.023 0.000 0.923 307 V N -0.305 119.596 119.914 -0.022 0.000 3.051 307 V HA 0.248 4.368 4.120 -0.001 0.000 0.306 307 V C 0.421 176.477 176.094 -0.064 0.000 1.083 307 V CA -0.707 61.575 62.300 -0.032 0.000 1.104 307 V CB 0.031 31.834 31.823 -0.033 0.000 1.027 307 V HN 0.343 nan 8.190 nan 0.000 0.483 308 N N 2.719 121.359 118.700 -0.100 0.000 2.479 308 N HA 0.096 4.835 4.740 -0.001 0.000 0.257 308 N C 0.279 175.646 175.510 -0.239 0.000 1.232 308 N CA 0.487 53.441 53.050 -0.160 0.000 0.920 308 N CB 0.817 39.192 38.487 -0.187 0.000 1.105 308 N HN 1.018 nan 8.380 nan 0.000 0.444 309 D N -2.306 117.957 120.400 -0.227 0.000 2.402 309 D HA 0.010 4.650 4.640 -0.001 0.000 0.216 309 D C 0.199 176.295 176.300 -0.340 0.000 1.128 309 D CA -0.253 53.616 54.000 -0.218 0.000 0.833 309 D CB -0.177 40.581 40.800 -0.071 0.000 0.971 309 D HN 0.445 nan 8.370 nan 0.000 0.503 310 T N -2.982 111.253 114.554 -0.532 0.000 2.910 310 T HA 0.731 5.081 4.350 -0.001 0.000 0.287 310 T C -0.624 173.484 174.700 -0.988 0.000 1.050 310 T CA -0.870 60.926 62.100 -0.506 0.000 1.011 310 T CB 1.413 70.168 68.868 -0.188 0.000 1.195 310 T HN -0.065 nan 8.240 nan 0.000 0.540 311 F N 0.210 120.145 119.950 -0.025 0.000 2.588 311 F HA 0.722 5.249 4.527 -0.000 0.000 0.310 311 F C -0.134 175.650 175.800 -0.026 0.000 1.082 311 F CA -1.296 56.689 58.000 -0.026 0.000 0.929 311 F CB 1.928 40.919 39.000 -0.014 0.000 1.254 311 F HN 0.836 nan 8.300 nan 0.000 0.455 312 I N -1.648 118.992 120.570 0.117 0.000 3.108 312 I HA 0.770 4.940 4.170 -0.001 0.000 0.312 312 I C -1.393 174.779 176.117 0.092 0.000 1.095 312 I CA -0.897 60.441 61.300 0.064 0.000 1.000 312 I CB 2.675 40.666 38.000 -0.014 0.000 1.229 312 I HN 0.523 nan 8.210 nan 0.000 0.454 313 E N 2.461 122.710 120.200 0.081 0.000 2.222 313 E HA 0.617 4.966 4.350 -0.001 0.000 0.267 313 E C -1.658 175.016 176.600 0.123 0.000 0.884 313 E CA -0.801 55.661 56.400 0.103 0.000 0.764 313 E CB 2.826 32.582 29.700 0.093 0.000 1.169 313 E HN 0.364 nan 8.360 nan 0.000 0.413 314 L N 1.934 123.261 121.223 0.173 0.000 2.334 314 L HA 0.546 4.885 4.340 -0.001 0.000 0.276 314 L C -0.638 176.459 176.870 0.379 0.000 1.014 314 L CA -0.806 54.192 54.840 0.264 0.000 0.815 314 L CB 1.709 43.921 42.059 0.256 0.000 1.268 314 L HN 0.289 nan 8.230 nan 0.000 0.428 315 V N 3.139 123.258 119.914 0.341 0.000 2.735 315 V HA 0.500 4.620 4.120 -0.001 0.000 0.310 315 V C 0.026 176.094 176.094 -0.044 0.000 1.061 315 V CA -0.790 61.619 62.300 0.182 0.000 0.913 315 V CB 1.945 33.809 31.823 0.068 0.000 1.005 315 V HN 0.799 nan 8.190 nan 0.000 0.428 316 R N 4.415 124.611 120.500 -0.508 0.000 4.164 316 R HA 0.311 4.650 4.340 -0.001 0.000 0.195 316 R C -0.372 175.644 176.300 -0.474 0.000 1.712 316 R CA 0.083 55.578 56.100 -1.008 0.000 1.457 316 R CB -0.158 29.285 30.300 -1.428 0.000 1.387 316 R HN 0.745 nan 8.270 nan 0.000 0.785 317 E N 1.268 121.302 120.200 -0.276 0.000 2.234 317 E HA 0.132 4.482 4.350 -0.001 0.000 0.266 317 E C -0.939 175.594 176.600 -0.112 0.000 0.877 317 E CA -0.778 55.527 56.400 -0.158 0.000 0.758 317 E CB 2.101 31.749 29.700 -0.087 0.000 1.170 317 E HN 0.357 nan 8.360 nan 0.000 0.415 318 E N 2.317 122.460 120.200 -0.096 0.000 2.465 318 E HA -0.070 4.279 4.350 -0.001 0.000 0.260 318 E C -0.226 176.359 176.600 -0.024 0.000 0.980 318 E CA 0.411 56.774 56.400 -0.061 0.000 0.927 318 E CB 0.731 30.400 29.700 -0.053 0.000 0.934 318 E HN 0.269 nan 8.360 nan 0.000 0.459 319 Q N 2.847 122.646 119.800 -0.001 0.000 2.271 319 Q HA 0.073 4.413 4.340 -0.001 0.000 0.258 319 Q C -0.888 175.120 176.000 0.013 0.000 0.936 319 Q CA -0.644 55.170 55.803 0.018 0.000 0.909 319 Q CB 1.360 30.107 28.738 0.015 0.000 1.253 319 Q HN 0.421 nan 8.270 nan 0.000 0.440 320 Q N 2.751 122.560 119.800 0.014 0.000 2.322 320 Q HA 0.286 4.626 4.340 -0.001 0.000 0.256 320 Q C -0.816 175.194 176.000 0.017 0.000 0.960 320 Q CA -0.317 55.492 55.803 0.010 0.000 0.934 320 Q CB 1.481 30.224 28.738 0.009 0.000 1.200 320 Q HN 0.439 nan 8.270 nan 0.000 0.435 321 V N 2.531 122.449 119.914 0.006 0.000 2.530 321 V HA 0.289 4.409 4.120 -0.001 0.000 0.282 321 V C 0.571 176.670 176.094 0.009 0.000 1.048 321 V CA -0.727 61.577 62.300 0.006 0.000 0.997 321 V CB 1.013 32.825 31.823 -0.018 0.000 0.987 321 V HN 0.845 nan 8.190 nan 0.000 0.477 322 A N 4.232 127.068 122.820 0.027 0.000 2.520 322 A HA 0.143 4.463 4.320 -0.001 0.000 0.235 322 A C 1.269 178.859 177.584 0.010 0.000 1.065 322 A CA -0.083 51.973 52.037 0.031 0.000 0.764 322 A CB 0.098 19.134 19.000 0.060 0.000 1.002 322 A HN 0.897 nan 8.150 nan 0.000 0.502 323 E N 0.237 120.441 120.200 0.008 0.000 2.152 323 E HA -0.027 4.323 4.350 -0.001 0.000 0.192 323 E C 0.652 177.244 176.600 -0.013 0.000 0.983 323 E CA 1.440 57.834 56.400 -0.009 0.000 0.818 323 E CB -0.089 29.610 29.700 -0.002 0.000 0.758 323 E HN 0.822 nan 8.360 nan 0.000 0.467 324 S N -0.805 114.903 115.700 0.013 0.000 2.567 324 S HA 0.584 5.053 4.470 -0.001 0.000 0.270 324 S C -0.838 173.792 174.600 0.049 0.000 1.152 324 S CA -0.952 57.259 58.200 0.019 0.000 0.835 324 S CB 1.250 64.460 63.200 0.017 0.000 1.115 324 S HN 0.014 nan 8.310 nan 0.000 0.459 325 I N 1.624 122.225 120.570 0.051 0.000 2.465 325 I HA 0.639 4.808 4.170 -0.001 0.000 0.291 325 I C 0.447 176.599 176.117 0.058 0.000 1.014 325 I CA -0.983 60.364 61.300 0.079 0.000 1.093 325 I CB 1.892 39.946 38.000 0.090 0.000 1.267 325 I HN 0.984 nan 8.210 nan 0.000 0.431 326 A N 7.411 130.273 122.820 0.071 0.000 2.440 326 A HA 0.644 4.964 4.320 -0.001 0.000 0.251 326 A C -0.380 177.231 177.584 0.046 0.000 1.089 326 A CA 0.089 52.158 52.037 0.055 0.000 0.779 326 A CB 0.261 19.294 19.000 0.054 0.000 1.022 326 A HN 0.683 nan 8.150 nan 0.000 0.492 327 L N 1.139 122.383 121.223 0.034 0.000 2.271 327 L HA 0.401 4.740 4.340 -0.001 0.000 0.265 327 L C 1.535 178.423 176.870 0.029 0.000 1.013 327 L CA -0.805 54.050 54.840 0.025 0.000 0.820 327 L CB 1.362 43.430 42.059 0.015 0.000 1.352 327 L HN 0.811 nan 8.230 nan 0.000 0.443 328 T N -1.137 113.431 114.554 0.024 0.000 2.759 328 T HA -0.124 4.225 4.350 -0.001 0.000 0.269 328 T C 0.061 174.774 174.700 0.022 0.000 1.042 328 T CA 1.426 63.540 62.100 0.022 0.000 1.140 328 T CB -0.183 68.697 68.868 0.020 0.000 0.864 328 T HN 0.462 nan 8.240 nan 0.000 0.455 329 D N 0.003 120.418 120.400 0.025 0.000 2.896 329 D HA 0.419 5.059 4.640 -0.001 0.000 0.241 329 D C -0.797 175.528 176.300 0.042 0.000 1.188 329 D CA -0.286 53.730 54.000 0.027 0.000 0.879 329 D CB 1.165 41.977 40.800 0.021 0.000 1.553 329 D HN -0.059 nan 8.370 nan 0.000 0.515 330 D N 0.508 120.940 120.400 0.053 0.000 4.808 330 D HA -0.159 4.481 4.640 -0.001 0.000 0.304 330 D C -0.907 175.441 176.300 0.080 0.000 2.360 330 D CA 1.281 55.339 54.000 0.097 0.000 1.222 330 D CB -0.493 40.388 40.800 0.135 0.000 1.085 330 D HN 0.445 nan 8.370 nan 0.000 1.266 331 T N -1.758 112.852 114.554 0.094 0.000 2.907 331 T HA 0.662 5.011 4.350 -0.001 0.000 0.290 331 T C -0.531 174.188 174.700 0.031 0.000 1.066 331 T CA -0.914 61.219 62.100 0.055 0.000 1.012 331 T CB 1.678 70.579 68.868 0.054 0.000 1.184 331 T HN 0.537 nan 8.240 nan 0.000 0.522 332 L N 1.601 122.822 121.223 -0.003 0.000 2.333 332 L HA 0.689 5.029 4.340 -0.001 0.000 0.280 332 L C -1.016 175.848 176.870 -0.011 0.000 1.004 332 L CA -0.812 54.002 54.840 -0.042 0.000 0.820 332 L CB 1.581 43.536 42.059 -0.173 0.000 1.247 332 L HN 0.652 nan 8.230 nan 0.000 0.416 333 V N 7.617 127.522 119.914 -0.015 0.000 2.348 333 V HA 0.415 4.534 4.120 -0.001 0.000 0.270 333 V C -1.912 174.189 176.094 0.011 0.000 1.037 333 V CA -1.391 60.843 62.300 -0.109 0.000 0.872 333 V CB 0.783 32.328 31.823 -0.463 0.000 1.002 333 V HN 0.724 nan 8.190 nan 0.000 0.464 334 P HA 0.086 nan 4.420 nan 0.000 0.271 334 P C -0.309 177.054 177.300 0.105 0.000 1.218 334 P CA -0.416 62.782 63.100 0.163 0.000 0.780 334 P CB 0.458 32.188 31.700 0.050 0.000 0.901 335 F N 4.529 124.477 119.950 -0.003 0.000 2.629 335 F HA -0.033 4.494 4.527 -0.001 0.000 0.377 335 F C 1.273 177.072 175.800 -0.002 0.000 1.101 335 F CA 0.473 58.481 58.000 0.013 0.000 1.301 335 F CB -0.374 38.629 39.000 0.005 0.000 1.062 335 F HN 0.306 nan 8.300 nan 0.000 0.583 336 L N 3.495 124.426 121.223 -0.485 0.000 4.291 336 L HA -0.253 4.086 4.340 -0.001 0.000 0.413 336 L C 0.641 177.417 176.870 -0.157 0.000 1.162 336 L CA 0.094 54.721 54.840 -0.356 0.000 0.961 336 L CB -2.467 39.380 42.059 -0.353 0.000 2.095 336 L HN 0.867 nan 8.230 nan 0.000 0.838 337 A N 0.585 123.333 122.820 -0.120 0.000 2.584 337 A HA 0.372 4.691 4.320 -0.001 0.000 0.239 337 A C 1.700 179.247 177.584 -0.063 0.000 1.043 337 A CA 1.278 53.267 52.037 -0.079 0.000 0.756 337 A CB 0.045 18.984 19.000 -0.102 0.000 0.963 337 A HN 1.588 nan 8.150 nan 0.000 0.511 338 G N 1.858 110.635 108.800 -0.039 0.000 2.189 338 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.267 338 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.267 338 G C 0.149 175.033 174.900 -0.027 0.000 0.975 338 G CA 0.990 46.074 45.100 -0.026 0.000 0.644 338 G HN 0.907 nan 8.290 nan 0.000 0.537 339 E N -0.497 119.679 120.200 -0.040 0.000 2.700 339 E HA 0.637 4.987 4.350 -0.001 0.000 0.253 339 E C -0.158 176.426 176.600 -0.026 0.000 1.175 339 E CA -0.354 56.025 56.400 -0.035 0.000 1.010 339 E CB 0.770 30.439 29.700 -0.051 0.000 1.284 339 E HN 0.083 nan 8.360 nan 0.000 0.557 340 T N 0.591 115.132 114.554 -0.021 0.000 2.856 340 T HA 0.408 4.757 4.350 -0.001 0.000 0.283 340 T C -0.874 173.819 174.700 -0.012 0.000 1.008 340 T CA -0.615 61.476 62.100 -0.015 0.000 0.997 340 T CB 1.252 70.111 68.868 -0.016 0.000 0.992 340 T HN 0.085 nan 8.240 nan 0.000 0.454 341 V N 3.775 123.691 119.914 0.003 0.000 2.435 341 V HA 0.424 4.544 4.120 -0.001 0.000 0.290 341 V C 1.469 177.582 176.094 0.032 0.000 1.030 341 V CA -0.714 61.603 62.300 0.029 0.000 0.881 341 V CB 1.615 33.470 31.823 0.054 0.000 0.983 341 V HN 0.823 nan 8.190 nan 0.000 0.445 342 R N 2.428 122.955 120.500 0.046 0.000 2.148 342 R HA -0.011 4.329 4.340 -0.001 0.000 0.223 342 R C -0.386 175.810 176.300 -0.173 0.000 1.088 342 R CA 0.915 56.978 56.100 -0.062 0.000 0.985 342 R CB 0.249 30.526 30.300 -0.039 0.000 0.880 342 R HN 0.647 nan 8.270 nan 0.000 0.451 343 W N -0.207 121.086 121.300 -0.010 0.000 2.632 343 W HA 0.410 5.069 4.660 -0.001 0.000 0.328 343 W C -0.625 175.904 176.519 0.016 0.000 1.044 343 W CA -0.484 56.858 57.345 -0.004 0.000 1.225 343 W CB 2.074 31.523 29.460 -0.017 0.000 1.396 343 W HN -0.211 nan 8.180 nan 0.000 0.499 344 S N 1.018 116.869 115.700 0.250 0.000 2.566 344 S HA 0.572 5.042 4.470 -0.001 0.000 0.298 344 S C -0.791 173.909 174.600 0.168 0.000 1.083 344 S CA -0.838 57.458 58.200 0.160 0.000 0.978 344 S CB 1.597 64.847 63.200 0.084 0.000 1.073 344 S HN 0.165 nan 8.310 nan 0.000 0.491 345 V N 3.050 123.035 119.914 0.119 0.000 2.488 345 V HA 0.248 4.367 4.120 -0.001 0.000 0.277 345 V C 0.686 176.822 176.094 0.069 0.000 1.046 345 V CA -0.186 62.168 62.300 0.089 0.000 0.986 345 V CB 0.716 32.564 31.823 0.043 0.000 0.989 345 V HN 0.748 nan 8.190 nan 0.000 0.475 346 K N 0.000 120.443 120.400 0.072 0.000 2.780 346 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 346 K CA 0.000 56.321 56.287 0.057 0.000 0.838 346 K CB 0.000 32.539 32.500 0.065 0.000 1.064 346 K HN 0.000 nan 8.250 nan 0.000 0.543