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 1fj8_1_D DATA FIRST_RESID 2 DATA SEQUENCE KRAVITGLGI VSSIGNNQQE VLASLREGRS GITFSQELKD SGMRSHVWGN DATA SEQUENCE VKLDTTGLID RKVVRFMSDA SIYAFLSMEQ AIADAGLSPE AYQNNPRVGL DATA SEQUENCE IAGSGGGSPR FQVFGADAMR GPRGLKAVGP YVVTKAMASG VSACLATPFK DATA SEQUENCE IHGVNYSISS ACATSAHCIG NAVEQIQLGK QDIVFAGGGE ELCWEMACEF DATA SEQUENCE DAMGALSTKY NDTPEKASRT YDAHRDGFVI AGGGGMVVVE ELEHALARGA DATA SEQUENCE HIYAEIVGYG ATSDGADMVA PSGEGAVRCM KMAMHGVDTP IDYLNSHGTS DATA SEQUENCE TPVGDVKELA AIREVFGDKS PAISATKAMT GHSLGAAGVQ EAIYSLLMLE DATA SEQUENCE HGFIAPSINI EELDEQAAGL NIVTETTDRE LTTVMSNSFG FGGTNATLVM DATA SEQUENCE RKL 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.602 176.600 0.003 0.000 0.988 2 K CA 0.000 56.290 56.287 0.005 0.000 0.838 2 K CB 0.000 32.504 32.500 0.007 0.000 1.064 3 R N 0.767 121.267 120.500 -0.001 0.000 2.368 3 R HA 0.717 5.056 4.340 -0.001 0.000 0.302 3 R C -1.111 175.179 176.300 -0.017 0.000 1.002 3 R CA -0.174 55.923 56.100 -0.005 0.000 0.929 3 R CB 1.897 32.195 30.300 -0.004 0.000 1.073 3 R HN 0.289 nan 8.270 nan 0.000 0.464 4 A N 2.652 125.459 122.820 -0.022 0.000 2.331 4 A HA 0.613 4.933 4.320 -0.001 0.000 0.320 4 A C -0.455 177.103 177.584 -0.042 0.000 1.138 4 A CA -0.683 51.329 52.037 -0.041 0.000 0.790 4 A CB 1.066 20.034 19.000 -0.054 0.000 1.206 4 A HN 0.532 nan 8.150 nan 0.000 0.470 5 V N 0.213 120.097 119.914 -0.049 0.000 3.001 5 V HA 0.720 4.840 4.120 -0.001 0.000 0.314 5 V C -0.622 175.441 176.094 -0.052 0.000 1.099 5 V CA -1.105 61.168 62.300 -0.044 0.000 0.989 5 V CB 1.735 33.535 31.823 -0.039 0.000 1.040 5 V HN 0.613 nan 8.190 nan 0.000 0.434 6 I N 3.183 123.735 120.570 -0.030 0.000 2.315 6 I HA 0.425 4.595 4.170 -0.001 0.000 0.291 6 I C 1.127 177.291 176.117 0.079 0.000 1.006 6 I CA 0.175 61.466 61.300 -0.015 0.000 1.265 6 I CB 1.165 39.140 38.000 -0.042 0.000 1.387 6 I HN 1.039 nan 8.210 nan 0.000 0.475 7 T N 1.158 115.749 114.554 0.062 0.000 3.084 7 T HA 0.530 4.880 4.350 -0.001 0.000 0.270 7 T C 0.487 175.320 174.700 0.222 0.000 1.008 7 T CA -0.350 61.812 62.100 0.102 0.000 0.900 7 T CB 0.401 69.276 68.868 0.011 0.000 1.084 7 T HN 0.808 nan 8.240 nan 0.000 0.538 8 G N 1.393 110.335 108.800 0.238 0.000 2.556 8 G HA2 0.519 4.479 3.960 -0.001 0.000 0.294 8 G HA3 0.519 4.479 3.960 -0.001 0.000 0.294 8 G C -2.157 172.755 174.900 0.021 0.000 1.516 8 G CA -0.949 44.288 45.100 0.230 0.000 0.824 8 G HN 0.646 nan 8.290 nan 0.000 0.535 9 L N -1.110 120.109 121.223 -0.007 0.000 2.465 9 L HA 1.044 5.384 4.340 -0.001 0.000 0.257 9 L C 0.046 176.888 176.870 -0.047 0.000 0.988 9 L CA -0.860 53.915 54.840 -0.108 0.000 0.827 9 L CB 1.807 43.701 42.059 -0.274 0.000 1.397 9 L HN 1.212 nan 8.230 nan 0.000 0.410 10 G N 0.932 109.695 108.800 -0.060 0.000 2.620 10 G HA2 0.826 4.786 3.960 -0.001 0.000 0.301 10 G HA3 0.826 4.786 3.960 -0.001 0.000 0.301 10 G C -1.901 172.975 174.900 -0.041 0.000 1.347 10 G CA -0.774 44.303 45.100 -0.037 0.000 0.971 10 G HN 0.988 nan 8.290 nan 0.000 0.488 11 I N 0.659 121.218 120.570 -0.018 0.000 2.753 11 I HA 0.494 4.663 4.170 -0.001 0.000 0.291 11 I C -1.576 174.534 176.117 -0.012 0.000 1.425 11 I CA -0.824 60.462 61.300 -0.023 0.000 1.039 11 I CB 2.230 40.218 38.000 -0.020 0.000 1.349 11 I HN 0.339 nan 8.210 nan 0.000 0.430 12 V N 6.747 126.636 119.914 -0.041 0.000 2.357 12 V HA 0.572 4.692 4.120 -0.001 0.000 0.281 12 V C -0.190 175.807 176.094 -0.162 0.000 1.015 12 V CA -0.154 62.094 62.300 -0.086 0.000 0.827 12 V CB 1.298 33.067 31.823 -0.090 0.000 1.018 12 V HN 0.807 nan 8.190 nan 0.000 0.432 13 S N 2.512 118.149 115.700 -0.104 0.000 2.732 13 S HA 0.449 4.918 4.470 -0.001 0.000 0.293 13 S C 1.199 175.745 174.600 -0.089 0.000 1.159 13 S CA 0.126 58.270 58.200 -0.093 0.000 0.847 13 S CB 1.818 65.042 63.200 0.040 0.000 1.169 13 S HN 0.848 nan 8.310 nan 0.000 0.501 14 S N 0.415 116.072 115.700 -0.071 0.000 2.442 14 S HA -0.081 4.389 4.470 -0.001 0.000 0.236 14 S C 1.429 176.009 174.600 -0.033 0.000 1.007 14 S CA 1.102 59.268 58.200 -0.057 0.000 0.965 14 S CB -1.153 62.024 63.200 -0.037 0.000 0.773 14 S HN 1.042 nan 8.310 nan 0.000 0.504 15 I N -2.483 118.070 120.570 -0.029 0.000 3.974 15 I HA 0.678 4.848 4.170 -0.001 0.000 0.334 15 I C 0.535 176.633 176.117 -0.032 0.000 1.437 15 I CA -0.422 60.852 61.300 -0.043 0.000 1.113 15 I CB 0.279 38.224 38.000 -0.093 0.000 1.063 15 I HN 0.280 nan 8.210 nan 0.000 0.400 16 G N 0.983 109.772 108.800 -0.018 0.000 2.341 16 G HA2 0.045 4.004 3.960 -0.001 0.000 0.300 16 G HA3 0.045 4.004 3.960 -0.001 0.000 0.300 16 G C -0.833 174.062 174.900 -0.008 0.000 1.706 16 G CA -0.631 44.463 45.100 -0.009 0.000 0.916 16 G HN -0.029 nan 8.290 nan 0.000 0.716 17 N N 0.609 119.305 118.700 -0.007 0.000 2.336 17 N HA 0.088 4.828 4.740 -0.001 0.000 0.189 17 N C 0.610 176.126 175.510 0.010 0.000 1.113 17 N CA 0.625 53.672 53.050 -0.004 0.000 0.858 17 N CB 0.082 38.570 38.487 0.003 0.000 0.970 17 N HN 0.850 nan 8.380 nan 0.000 0.471 18 N N -1.444 117.265 118.700 0.015 0.000 3.116 18 N HA -0.030 4.710 4.740 -0.001 0.000 0.244 18 N C 0.265 175.793 175.510 0.031 0.000 1.485 18 N CA -0.448 52.616 53.050 0.023 0.000 0.884 18 N CB 0.920 39.421 38.487 0.024 0.000 1.415 18 N HN -0.159 nan 8.380 nan 0.000 0.524 19 Q N -0.592 119.233 119.800 0.042 0.000 2.224 19 Q HA -0.192 4.148 4.340 -0.001 0.000 0.203 19 Q C 1.755 177.777 176.000 0.038 0.000 0.970 19 Q CA 1.266 57.105 55.803 0.060 0.000 0.865 19 Q CB -0.081 28.709 28.738 0.087 0.000 0.922 19 Q HN 0.670 nan 8.270 nan 0.000 0.445 20 Q N 1.313 121.126 119.800 0.020 0.000 2.050 20 Q HA -0.243 4.096 4.340 -0.001 0.000 0.202 20 Q C 1.667 177.650 176.000 -0.028 0.000 0.980 20 Q CA 2.056 57.852 55.803 -0.011 0.000 0.840 20 Q CB -0.034 28.700 28.738 -0.007 0.000 0.898 20 Q HN 0.671 nan 8.270 nan 0.000 0.424 21 E N -0.392 119.800 120.200 -0.013 0.000 2.051 21 E HA -0.147 4.203 4.350 -0.001 0.000 0.192 21 E C 2.214 178.799 176.600 -0.026 0.000 0.991 21 E CA 1.403 57.790 56.400 -0.021 0.000 0.799 21 E CB 0.038 29.732 29.700 -0.010 0.000 0.748 21 E HN 0.166 nan 8.360 nan 0.000 0.449 22 V N 1.922 121.837 119.914 0.001 0.000 2.255 22 V HA -0.294 3.826 4.120 -0.001 0.000 0.247 22 V C 2.374 178.456 176.094 -0.020 0.000 1.051 22 V CA 1.583 63.888 62.300 0.008 0.000 1.018 22 V CB -0.491 31.396 31.823 0.107 0.000 0.641 22 V HN 0.369 nan 8.190 nan 0.000 0.445 23 L N -0.158 121.058 121.223 -0.011 0.000 2.021 23 L HA -0.282 4.058 4.340 -0.001 0.000 0.215 23 L C 2.559 179.344 176.870 -0.142 0.000 1.074 23 L CA 2.375 57.179 54.840 -0.061 0.000 0.760 23 L CB -0.630 41.334 42.059 -0.157 0.000 0.889 23 L HN 0.419 nan 8.230 nan 0.000 0.433 24 A N -1.431 121.312 122.820 -0.128 0.000 1.898 24 A HA -0.184 4.136 4.320 -0.001 0.000 0.216 24 A C 2.373 179.887 177.584 -0.117 0.000 1.181 24 A CA 1.898 53.854 52.037 -0.136 0.000 0.620 24 A CB -0.582 18.358 19.000 -0.099 0.000 0.819 24 A HN 0.507 nan 8.150 nan 0.000 0.442 25 S N -0.146 115.498 115.700 -0.093 0.000 2.356 25 S HA -0.080 4.390 4.470 -0.001 0.000 0.223 25 S C 1.845 176.387 174.600 -0.097 0.000 1.032 25 S CA 1.373 59.520 58.200 -0.088 0.000 1.005 25 S CB -0.458 62.689 63.200 -0.088 0.000 0.867 25 S HN 0.512 nan 8.310 nan 0.000 0.449 26 L N 1.018 122.183 121.223 -0.096 0.000 2.042 26 L HA -0.146 4.193 4.340 -0.001 0.000 0.210 26 L C 2.724 179.594 176.870 -0.001 0.000 1.076 26 L CA 1.334 56.153 54.840 -0.034 0.000 0.749 26 L CB -0.455 41.660 42.059 0.093 0.000 0.893 26 L HN 0.245 nan 8.230 nan 0.000 0.432 27 R N -0.238 120.164 120.500 -0.164 0.000 2.115 27 R HA -0.156 4.183 4.340 -0.001 0.000 0.226 27 R C 2.044 178.256 176.300 -0.146 0.000 1.100 27 R CA 1.125 57.055 56.100 -0.284 0.000 0.980 27 R CB -0.140 29.862 30.300 -0.497 0.000 0.875 27 R HN 0.290 nan 8.270 nan 0.000 0.445 28 E N 0.118 120.247 120.200 -0.118 0.000 2.435 28 E HA -0.027 4.323 4.350 -0.001 0.000 0.195 28 E C 0.630 177.198 176.600 -0.053 0.000 1.029 28 E CA 0.721 57.072 56.400 -0.081 0.000 0.865 28 E CB 0.120 29.775 29.700 -0.075 0.000 0.833 28 E HN 0.406 nan 8.360 nan 0.000 0.510 29 G N 1.634 110.405 108.800 -0.048 0.000 2.246 29 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.273 29 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.273 29 G C 0.004 174.881 174.900 -0.039 0.000 1.055 29 G CA 0.514 45.593 45.100 -0.035 0.000 0.851 29 G HN 0.380 nan 8.290 nan 0.000 0.500 30 R N 0.239 120.709 120.500 -0.050 0.000 2.234 30 R HA 0.520 4.860 4.340 -0.001 0.000 0.324 30 R C 0.664 176.940 176.300 -0.041 0.000 1.054 30 R CA 0.137 56.213 56.100 -0.041 0.000 0.912 30 R CB 0.617 30.892 30.300 -0.041 0.000 1.030 30 R HN 0.200 nan 8.270 nan 0.000 0.455 31 S N 2.237 117.923 115.700 -0.024 0.000 2.560 31 S HA 0.134 4.604 4.470 -0.001 0.000 0.284 31 S C 0.977 175.575 174.600 -0.003 0.000 1.327 31 S CA 0.216 58.408 58.200 -0.013 0.000 1.055 31 S CB 0.809 64.012 63.200 0.004 0.000 0.868 31 S HN 0.813 nan 8.310 nan 0.000 0.506 32 G N 3.838 112.638 108.800 0.000 0.000 3.324 32 G HA2 0.239 4.198 3.960 -0.001 0.000 0.251 32 G HA3 0.239 4.198 3.960 -0.001 0.000 0.251 32 G C 0.071 175.000 174.900 0.048 0.000 1.072 32 G CA -0.267 44.840 45.100 0.011 0.000 0.787 32 G HN 0.590 nan 8.290 nan 0.000 0.537 33 I N 2.702 123.311 120.570 0.064 0.000 2.395 33 I HA 0.392 4.562 4.170 -0.001 0.000 0.289 33 I C 0.678 176.879 176.117 0.139 0.000 1.023 33 I CA -0.425 60.941 61.300 0.110 0.000 1.350 33 I CB 0.405 38.464 38.000 0.098 0.000 1.409 33 I HN 0.076 nan 8.210 nan 0.000 0.507 34 T N 2.573 117.247 114.554 0.200 0.000 2.864 34 T HA 0.566 4.916 4.350 -0.001 0.000 0.289 34 T C -0.553 174.293 174.700 0.245 0.000 1.082 34 T CA -0.751 61.482 62.100 0.222 0.000 1.009 34 T CB 1.776 70.785 68.868 0.234 0.000 1.234 34 T HN 0.241 nan 8.240 nan 0.000 0.526 35 F N 1.273 121.281 119.950 0.097 0.000 2.399 35 F HA 0.594 5.120 4.527 -0.001 0.000 0.342 35 F C 0.365 176.139 175.800 -0.043 0.000 1.106 35 F CA -0.202 57.821 58.000 0.038 0.000 1.196 35 F CB 1.093 40.109 39.000 0.026 0.000 1.163 35 F HN 0.647 nan 8.300 nan 0.000 0.547 36 S N 4.729 119.719 115.700 -1.184 0.000 2.594 36 S HA 0.175 4.645 4.470 -0.001 0.000 0.322 36 S C 0.506 174.305 174.600 -1.335 0.000 1.085 36 S CA -0.655 56.781 58.200 -1.273 0.000 1.116 36 S CB 1.254 63.345 63.200 -1.847 0.000 0.979 36 S HN 0.893 nan 8.310 nan 0.000 0.465 37 Q N 3.333 122.670 119.800 -0.772 0.000 2.167 37 Q HA -0.081 4.259 4.340 -0.001 0.000 0.202 37 Q C 1.777 177.545 176.000 -0.386 0.000 0.970 37 Q CA 2.151 57.731 55.803 -0.371 0.000 0.855 37 Q CB -0.106 28.621 28.738 -0.018 0.000 0.911 37 Q HN 0.908 nan 8.270 nan 0.000 0.438 38 E N -0.644 119.291 120.200 -0.443 0.000 2.072 38 E HA -0.171 4.179 4.350 -0.001 0.000 0.191 38 E C 1.731 178.164 176.600 -0.279 0.000 0.985 38 E CA 1.017 57.255 56.400 -0.269 0.000 0.801 38 E CB -0.136 29.508 29.700 -0.094 0.000 0.750 38 E HN 0.445 nan 8.360 nan 0.000 0.452 39 L N 0.545 121.487 121.223 -0.468 0.000 2.072 39 L HA -0.127 4.212 4.340 -0.001 0.000 0.205 39 L C 2.813 179.537 176.870 -0.244 0.000 1.079 39 L CA 1.481 56.164 54.840 -0.262 0.000 0.752 39 L CB -0.444 41.410 42.059 -0.342 0.000 0.906 39 L HN 0.149 nan 8.230 nan 0.000 0.436 40 K N 0.329 120.456 120.400 -0.456 0.000 2.057 40 K HA -0.204 4.115 4.320 -0.001 0.000 0.207 40 K C 1.634 178.027 176.600 -0.346 0.000 1.049 40 K CA 1.766 57.686 56.287 -0.611 0.000 0.931 40 K CB 0.024 32.039 32.500 -0.808 0.000 0.714 40 K HN 0.154 nan 8.250 nan 0.000 0.440 41 D N 0.007 120.231 120.400 -0.293 0.000 2.117 41 D HA -0.144 4.495 4.640 -0.001 0.000 0.197 41 D C 1.914 178.043 176.300 -0.285 0.000 0.987 41 D CA 1.586 55.441 54.000 -0.241 0.000 0.829 41 D CB -0.353 40.319 40.800 -0.214 0.000 0.961 41 D HN 0.367 nan 8.370 nan 0.000 0.460 42 S N -0.562 114.927 115.700 -0.352 0.000 2.465 42 S HA -0.001 4.468 4.470 -0.001 0.000 0.241 42 S C 1.710 176.147 174.600 -0.272 0.000 1.000 42 S CA 1.542 59.449 58.200 -0.490 0.000 0.964 42 S CB -0.117 62.803 63.200 -0.465 0.000 0.763 42 S HN 0.382 nan 8.310 nan 0.000 0.512 43 G N 0.194 108.898 108.800 -0.161 0.000 2.148 43 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.203 43 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.203 43 G C -0.037 174.870 174.900 0.011 0.000 0.993 43 G CA 0.084 45.139 45.100 -0.074 0.000 0.661 43 G HN 0.514 nan 8.290 nan 0.000 0.518 44 M N -0.388 119.240 119.600 0.048 0.000 2.247 44 M HA 0.443 4.923 4.480 -0.001 0.000 0.326 44 M C 1.784 178.189 176.300 0.175 0.000 1.134 44 M CA -0.207 55.158 55.300 0.109 0.000 1.136 44 M CB 0.653 33.328 32.600 0.125 0.000 1.454 44 M HN 0.128 nan 8.290 nan 0.000 0.467 45 R N -0.338 120.203 120.500 0.068 0.000 2.246 45 R HA 0.106 4.445 4.340 -0.001 0.000 0.199 45 R C 0.319 176.453 176.300 -0.278 0.000 0.984 45 R CA 0.221 56.294 56.100 -0.045 0.000 1.015 45 R CB 0.205 30.481 30.300 -0.040 0.000 0.930 45 R HN 0.519 nan 8.270 nan 0.000 0.475 46 S N 0.323 115.945 115.700 -0.129 0.000 2.438 46 S HA 0.172 4.641 4.470 -0.001 0.000 0.293 46 S C -0.167 174.400 174.600 -0.054 0.000 1.141 46 S CA -0.662 57.448 58.200 -0.150 0.000 1.080 46 S CB 0.371 63.542 63.200 -0.050 0.000 0.978 46 S HN 0.339 nan 8.310 nan 0.000 0.479 47 H N 2.547 121.557 119.070 -0.100 0.000 2.512 47 H HA 0.294 4.849 4.556 -0.001 0.000 0.276 47 H C -0.012 175.120 175.328 -0.327 0.000 1.126 47 H CA -0.606 55.267 56.048 -0.292 0.000 1.060 47 H CB 0.474 30.084 29.762 -0.254 0.000 1.646 47 H HN 0.430 nan 8.280 nan 0.000 0.571 48 V N -1.880 118.010 119.914 -0.040 0.000 2.547 48 V HA 0.401 4.521 4.120 -0.001 0.000 0.299 48 V C -0.785 175.410 176.094 0.169 0.000 1.040 48 V CA -0.879 61.452 62.300 0.052 0.000 0.913 48 V CB 1.849 33.742 31.823 0.116 0.000 0.992 48 V HN 0.179 nan 8.190 nan 0.000 0.449 49 W N 1.865 123.177 121.300 0.021 0.000 2.781 49 W HA 0.812 5.472 4.660 -0.001 0.000 0.345 49 W C 0.377 176.918 176.519 0.037 0.000 1.085 49 W CA -1.096 56.264 57.345 0.026 0.000 1.198 49 W CB 2.553 32.021 29.460 0.013 0.000 1.423 49 W HN 0.928 nan 8.180 nan 0.000 0.532 50 G N 3.607 112.509 108.800 0.170 0.000 4.373 50 G HA2 0.163 4.123 3.960 -0.001 0.000 0.337 50 G HA3 0.163 4.123 3.960 -0.001 0.000 0.337 50 G C -0.431 174.403 174.900 -0.109 0.000 1.442 50 G CA -0.578 44.548 45.100 0.044 0.000 1.150 50 G HN 0.338 nan 8.290 nan 0.000 0.517 51 N N 0.134 118.766 118.700 -0.114 0.000 2.515 51 N HA 0.272 5.012 4.740 -0.001 0.000 0.279 51 N C -0.412 174.996 175.510 -0.170 0.000 1.164 51 N CA -0.577 52.314 53.050 -0.264 0.000 0.982 51 N CB 2.072 40.410 38.487 -0.249 0.000 1.170 51 N HN -0.103 nan 8.380 nan 0.000 0.474 52 V N 1.426 121.206 119.914 -0.223 0.000 2.408 52 V HA 0.102 4.222 4.120 -0.001 0.000 0.267 52 V C 0.386 176.433 176.094 -0.079 0.000 1.047 52 V CA -0.444 61.738 62.300 -0.196 0.000 0.937 52 V CB 0.075 31.679 31.823 -0.366 0.000 0.999 52 V HN 0.600 nan 8.190 nan 0.000 0.472 53 K N 5.729 126.104 120.400 -0.042 0.000 2.363 53 K HA 0.557 4.877 4.320 -0.001 0.000 0.240 53 K C -0.833 175.774 176.600 0.011 0.000 1.169 53 K CA 0.012 56.302 56.287 0.004 0.000 1.131 53 K CB 0.293 32.803 32.500 0.016 0.000 1.771 53 K HN 0.506 nan 8.250 nan 0.000 0.380 54 L N 0.437 121.675 121.223 0.025 0.000 2.614 54 L HA 0.302 4.641 4.340 -0.001 0.000 0.264 54 L C -1.754 175.152 176.870 0.060 0.000 0.940 54 L CA -0.568 54.295 54.840 0.039 0.000 0.903 54 L CB 2.026 44.107 42.059 0.037 0.000 1.306 54 L HN 0.236 nan 8.230 nan 0.000 0.410 55 D N 1.975 122.405 120.400 0.051 0.000 2.336 55 D HA 0.256 4.896 4.640 -0.001 0.000 0.249 55 D C 1.125 177.455 176.300 0.049 0.000 1.213 55 D CA 0.617 54.647 54.000 0.049 0.000 0.870 55 D CB 1.259 42.082 40.800 0.038 0.000 1.076 55 D HN 0.711 nan 8.370 nan 0.000 0.483 56 T N -0.301 114.286 114.554 0.055 0.000 3.081 56 T HA -0.074 4.276 4.350 -0.001 0.000 0.255 56 T C 1.776 176.481 174.700 0.009 0.000 1.113 56 T CA 0.534 62.662 62.100 0.047 0.000 1.082 56 T CB -0.304 68.601 68.868 0.062 0.000 0.939 56 T HN 0.380 nan 8.240 nan 0.000 0.506 57 T N 2.089 116.645 114.554 0.003 0.000 2.582 57 T HA -0.250 4.100 4.350 -0.001 0.000 0.238 57 T C 1.593 176.274 174.700 -0.032 0.000 1.283 57 T CA 2.265 64.356 62.100 -0.015 0.000 1.101 57 T CB -1.162 67.704 68.868 -0.004 0.000 0.823 57 T HN 0.703 nan 8.240 nan 0.000 0.467 58 G N -0.780 108.008 108.800 -0.020 0.000 3.899 58 G HA2 0.435 4.395 3.960 -0.001 0.000 0.293 58 G HA3 0.435 4.395 3.960 -0.001 0.000 0.293 58 G C 0.767 175.654 174.900 -0.023 0.000 1.054 58 G CA -0.296 44.786 45.100 -0.030 0.000 0.846 58 G HN 0.291 nan 8.290 nan 0.000 0.525 59 L N 0.479 121.693 121.223 -0.015 0.000 2.376 59 L HA 0.375 4.714 4.340 -0.001 0.000 0.219 59 L C 0.897 177.767 176.870 0.000 0.000 1.133 59 L CA 0.916 55.765 54.840 0.016 0.000 0.816 59 L CB -0.300 41.789 42.059 0.050 0.000 0.933 59 L HN 0.205 nan 8.230 nan 0.000 0.449 60 I N -1.673 118.839 120.570 -0.096 0.000 2.689 60 I HA 0.225 4.394 4.170 -0.001 0.000 0.299 60 I C -0.514 175.494 176.117 -0.181 0.000 1.059 60 I CA -1.216 59.958 61.300 -0.210 0.000 1.055 60 I CB 1.781 39.469 38.000 -0.519 0.000 1.243 60 I HN -0.257 nan 8.210 nan 0.000 0.425 61 D N 4.017 124.320 120.400 -0.161 0.000 2.493 61 D HA 0.008 4.648 4.640 -0.001 0.000 0.240 61 D C 1.143 177.352 176.300 -0.152 0.000 1.142 61 D CA 0.261 54.190 54.000 -0.119 0.000 0.872 61 D CB 1.017 41.766 40.800 -0.085 0.000 1.173 61 D HN 0.476 nan 8.370 nan 0.000 0.467 62 R N 2.961 123.385 120.500 -0.127 0.000 2.143 62 R HA -0.261 4.079 4.340 -0.001 0.000 0.239 62 R C 1.512 177.703 176.300 -0.182 0.000 1.126 62 R CA 1.808 57.816 56.100 -0.153 0.000 0.927 62 R CB -0.001 30.229 30.300 -0.118 0.000 0.860 62 R HN 0.358 nan 8.270 nan 0.000 0.433 63 K N -0.537 119.791 120.400 -0.121 0.000 2.218 63 K HA -0.142 4.177 4.320 -0.001 0.000 0.205 63 K C 1.902 178.494 176.600 -0.014 0.000 1.046 63 K CA 1.577 57.818 56.287 -0.077 0.000 0.933 63 K CB 0.084 32.580 32.500 -0.006 0.000 0.728 63 K HN 0.130 nan 8.250 nan 0.000 0.454 64 V N -0.484 119.389 119.914 -0.068 0.000 2.341 64 V HA -0.109 4.011 4.120 -0.001 0.000 0.240 64 V C 1.831 177.852 176.094 -0.121 0.000 1.035 64 V CA 0.958 63.227 62.300 -0.051 0.000 1.033 64 V CB -0.002 31.713 31.823 -0.180 0.000 0.678 64 V HN 0.063 nan 8.190 nan 0.000 0.464 65 V N 2.315 122.071 119.914 -0.264 0.000 3.186 65 V HA -0.174 3.946 4.120 -0.001 0.000 0.270 65 V C 2.562 178.450 176.094 -0.343 0.000 1.149 65 V CA 1.873 63.990 62.300 -0.306 0.000 1.160 65 V CB -0.791 30.850 31.823 -0.305 0.000 0.758 65 V HN 0.693 nan 8.190 nan 0.000 0.516 66 R N -1.690 118.532 120.500 -0.463 0.000 2.276 66 R HA 0.029 4.369 4.340 -0.001 0.000 0.203 66 R C 1.453 177.153 176.300 -1.000 0.000 1.017 66 R CA 1.281 56.883 56.100 -0.830 0.000 1.010 66 R CB -0.355 29.262 30.300 -1.137 0.000 0.900 66 R HN 0.485 nan 8.270 nan 0.000 0.469 67 F N 0.760 120.459 119.950 -0.419 0.000 2.704 67 F HA 0.403 4.930 4.527 -0.001 0.000 0.304 67 F C 0.691 176.335 175.800 -0.261 0.000 1.094 67 F CA -0.544 57.300 58.000 -0.260 0.000 1.275 67 F CB 0.293 39.215 39.000 -0.130 0.000 1.073 67 F HN -0.133 nan 8.300 nan 0.000 0.586 68 M N -0.022 119.488 119.600 -0.151 0.000 2.409 68 M HA 0.414 4.894 4.480 -0.001 0.000 0.329 68 M C 0.404 176.528 176.300 -0.293 0.000 1.180 68 M CA -0.603 54.586 55.300 -0.186 0.000 1.053 68 M CB 1.500 33.994 32.600 -0.177 0.000 1.586 68 M HN 0.011 nan 8.290 nan 0.000 0.461 69 S N -0.785 114.779 115.700 -0.227 0.000 2.766 69 S HA 0.383 4.853 4.470 -0.001 0.000 0.307 69 S C 0.205 174.717 174.600 -0.146 0.000 1.121 69 S CA -0.782 57.318 58.200 -0.166 0.000 0.980 69 S CB 1.289 64.452 63.200 -0.063 0.000 1.159 69 S HN 0.671 nan 8.310 nan 0.000 0.546 70 D N 1.194 121.506 120.400 -0.145 0.000 2.133 70 D HA -0.062 4.577 4.640 -0.001 0.000 0.195 70 D C 2.208 178.188 176.300 -0.533 0.000 0.997 70 D CA 2.014 55.751 54.000 -0.438 0.000 0.840 70 D CB -0.894 39.650 40.800 -0.428 0.000 0.947 70 D HN 0.685 nan 8.370 nan 0.000 0.452 71 A N 0.374 123.071 122.820 -0.205 0.000 1.883 71 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 71 A C 2.440 180.020 177.584 -0.007 0.000 1.186 71 A CA 2.169 54.184 52.037 -0.038 0.000 0.624 71 A CB -0.656 18.362 19.000 0.030 0.000 0.822 71 A HN 0.198 nan 8.150 nan 0.000 0.444 72 S N -0.389 115.291 115.700 -0.033 0.000 2.383 72 S HA -0.061 4.409 4.470 -0.001 0.000 0.227 72 S C 1.799 176.427 174.600 0.047 0.000 1.026 72 S CA 1.313 59.527 58.200 0.022 0.000 0.981 72 S CB -0.451 62.745 63.200 -0.007 0.000 0.818 72 S HN 0.531 nan 8.310 nan 0.000 0.472 73 I N 0.385 120.906 120.570 -0.081 0.000 2.226 73 I HA -0.205 3.965 4.170 -0.001 0.000 0.245 73 I C 2.030 178.221 176.117 0.122 0.000 1.100 73 I CA 1.260 62.520 61.300 -0.066 0.000 1.374 73 I CB -0.342 37.530 38.000 -0.214 0.000 1.057 73 I HN 0.259 nan 8.210 nan 0.000 0.413 74 Y N 0.672 121.014 120.300 0.071 0.000 2.200 74 Y HA -0.150 4.400 4.550 -0.001 0.000 0.290 74 Y C 2.630 178.578 175.900 0.081 0.000 1.137 74 Y CA 0.697 58.834 58.100 0.062 0.000 1.163 74 Y CB -1.281 37.193 38.460 0.023 0.000 0.988 74 Y HN 0.120 nan 8.280 nan 0.000 0.518 75 A N -0.542 122.426 122.820 0.248 0.000 1.930 75 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 75 A C 2.174 179.865 177.584 0.178 0.000 1.175 75 A CA 1.194 53.328 52.037 0.162 0.000 0.627 75 A CB -1.293 17.782 19.000 0.126 0.000 0.815 75 A HN 0.405 nan 8.150 nan 0.000 0.443 76 F N 0.765 120.777 119.950 0.102 0.000 2.102 76 F HA -0.148 4.379 4.527 -0.001 0.000 0.298 76 F C 1.891 177.789 175.800 0.164 0.000 1.105 76 F CA 1.802 59.901 58.000 0.164 0.000 1.239 76 F CB -0.273 38.793 39.000 0.109 0.000 0.991 76 F HN 0.135 nan 8.300 nan 0.000 0.474 77 L N -0.764 120.711 121.223 0.419 0.000 2.131 77 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 77 L C 2.483 179.412 176.870 0.098 0.000 1.092 77 L CA 1.314 56.317 54.840 0.271 0.000 0.759 77 L CB -0.896 41.316 42.059 0.256 0.000 0.903 77 L HN 0.088 nan 8.230 nan 0.000 0.435 78 S N -0.697 115.047 115.700 0.074 0.000 2.402 78 S HA -0.113 4.356 4.470 -0.001 0.000 0.229 78 S C 1.987 176.537 174.600 -0.084 0.000 1.021 78 S CA 1.118 59.319 58.200 0.002 0.000 0.974 78 S CB -0.086 63.119 63.200 0.008 0.000 0.800 78 S HN 0.300 nan 8.310 nan 0.000 0.484 79 M N 1.145 120.643 119.600 -0.170 0.000 2.077 79 M HA -0.112 4.367 4.480 -0.001 0.000 0.261 79 M C 2.184 178.219 176.300 -0.442 0.000 1.070 79 M CA 1.404 56.452 55.300 -0.419 0.000 1.125 79 M CB -0.514 31.641 32.600 -0.742 0.000 1.339 79 M HN 0.353 nan 8.290 nan 0.000 0.409 80 E N -0.075 119.957 120.200 -0.281 0.000 2.065 80 E HA -0.292 4.058 4.350 -0.001 0.000 0.201 80 E C 1.963 178.508 176.600 -0.092 0.000 1.016 80 E CA 1.656 57.983 56.400 -0.120 0.000 0.818 80 E CB -0.277 29.426 29.700 0.005 0.000 0.749 80 E HN 0.599 nan 8.360 nan 0.000 0.453 81 Q N -0.134 119.633 119.800 -0.056 0.000 2.077 81 Q HA -0.204 4.136 4.340 -0.001 0.000 0.206 81 Q C 2.213 178.196 176.000 -0.028 0.000 0.989 81 Q CA 1.559 57.350 55.803 -0.021 0.000 0.853 81 Q CB -0.214 28.522 28.738 -0.004 0.000 0.907 81 Q HN 0.259 nan 8.270 nan 0.000 0.418 82 A N 0.590 123.372 122.820 -0.063 0.000 1.898 82 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 82 A C 2.012 179.585 177.584 -0.018 0.000 1.181 82 A CA 0.984 53.004 52.037 -0.029 0.000 0.620 82 A CB -0.529 18.452 19.000 -0.032 0.000 0.819 82 A HN 0.293 nan 8.150 nan 0.000 0.442 83 I N -0.234 120.269 120.570 -0.111 0.000 2.179 83 I HA -0.276 3.893 4.170 -0.001 0.000 0.242 83 I C 2.969 179.057 176.117 -0.048 0.000 1.088 83 I CA 1.129 62.349 61.300 -0.134 0.000 1.357 83 I CB -0.313 37.456 38.000 -0.385 0.000 1.051 83 I HN 0.352 nan 8.210 nan 0.000 0.409 84 A N 0.190 122.991 122.820 -0.031 0.000 1.933 84 A HA -0.284 4.036 4.320 -0.001 0.000 0.218 84 A C 1.986 179.588 177.584 0.030 0.000 1.175 84 A CA 2.225 54.269 52.037 0.012 0.000 0.628 84 A CB -0.633 18.377 19.000 0.018 0.000 0.814 84 A HN 0.463 nan 8.150 nan 0.000 0.444 85 D N -0.202 120.223 120.400 0.041 0.000 2.178 85 D HA 0.045 4.684 4.640 -0.001 0.000 0.202 85 D C 1.797 178.159 176.300 0.104 0.000 0.974 85 D CA 1.323 55.373 54.000 0.083 0.000 0.841 85 D CB -0.157 40.718 40.800 0.125 0.000 0.953 85 D HN 0.316 nan 8.370 nan 0.000 0.478 86 A N -0.660 122.210 122.820 0.083 0.000 2.169 86 A HA 0.396 4.716 4.320 -0.001 0.000 0.212 86 A C 1.870 179.489 177.584 0.058 0.000 1.153 86 A CA 1.011 53.096 52.037 0.080 0.000 0.756 86 A CB -0.580 18.446 19.000 0.042 0.000 0.813 86 A HN 0.468 nan 8.150 nan 0.000 0.471 87 G N -1.294 107.535 108.800 0.049 0.000 2.176 87 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.252 87 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.252 87 G C -0.179 174.760 174.900 0.064 0.000 1.024 87 G CA 0.240 45.368 45.100 0.048 0.000 0.755 87 G HN 0.309 nan 8.290 nan 0.000 0.507 88 L N 1.414 122.680 121.223 0.072 0.000 2.331 88 L HA 0.639 4.979 4.340 -0.001 0.000 0.278 88 L C 1.120 178.115 176.870 0.208 0.000 1.106 88 L CA -0.246 54.672 54.840 0.128 0.000 0.824 88 L CB 1.269 43.381 42.059 0.088 0.000 1.142 88 L HN 0.568 nan 8.230 nan 0.000 0.443 89 S N 4.221 120.062 115.700 0.235 0.000 2.525 89 S HA 0.533 5.003 4.470 -0.001 0.000 0.290 89 S C -1.885 172.862 174.600 0.245 0.000 1.152 89 S CA -1.252 57.076 58.200 0.214 0.000 1.072 89 S CB 1.638 64.904 63.200 0.110 0.000 1.027 89 S HN 0.459 nan 8.310 nan 0.000 0.500 90 P HA -0.145 nan 4.420 nan 0.000 0.217 90 P C 0.894 178.038 177.300 -0.261 0.000 1.151 90 P CA 1.394 64.332 63.100 -0.269 0.000 0.849 90 P CB 0.019 31.633 31.700 -0.142 0.000 0.787 91 E N -0.720 119.430 120.200 -0.084 0.000 2.153 91 E HA -0.126 4.224 4.350 -0.001 0.000 0.194 91 E C 2.102 178.678 176.600 -0.039 0.000 0.988 91 E CA 1.519 57.882 56.400 -0.063 0.000 0.811 91 E CB -0.829 28.860 29.700 -0.018 0.000 0.746 91 E HN 0.214 nan 8.360 nan 0.000 0.466 92 A N 0.160 122.995 122.820 0.025 0.000 1.874 92 A HA -0.105 4.214 4.320 -0.001 0.000 0.214 92 A C 2.072 179.733 177.584 0.128 0.000 1.189 92 A CA 1.377 53.470 52.037 0.094 0.000 0.615 92 A CB -0.603 18.489 19.000 0.154 0.000 0.830 92 A HN 0.502 nan 8.150 nan 0.000 0.443 93 Y N -0.549 119.792 120.300 0.069 0.000 2.503 93 Y HA 0.360 4.909 4.550 -0.001 0.000 0.277 93 Y C 0.967 176.894 175.900 0.045 0.000 1.102 93 Y CA -0.285 57.869 58.100 0.089 0.000 1.261 93 Y CB -0.350 38.226 38.460 0.193 0.000 1.096 93 Y HN 0.233 nan 8.280 nan 0.000 0.546 94 Q N 1.596 121.007 119.800 -0.648 0.000 2.394 94 Q HA 0.073 4.412 4.340 -0.001 0.000 0.248 94 Q C -0.245 175.552 176.000 -0.339 0.000 0.992 94 Q CA -0.007 55.501 55.803 -0.492 0.000 0.888 94 Q CB 0.349 28.766 28.738 -0.534 0.000 1.257 94 Q HN 0.434 nan 8.270 nan 0.000 0.462 95 N N 1.170 119.572 118.700 -0.497 0.000 2.696 95 N HA -0.204 4.535 4.740 -0.001 0.000 0.249 95 N C -1.259 174.001 175.510 -0.416 0.000 1.090 95 N CA 0.809 53.365 53.050 -0.824 0.000 0.716 95 N CB -0.925 37.308 38.487 -0.423 0.000 1.020 95 N HN 0.452 nan 8.380 nan 0.000 0.548 96 N N -0.341 118.223 118.700 -0.226 0.000 2.479 96 N HA 0.357 5.097 4.740 -0.001 0.000 0.261 96 N C -2.023 173.527 175.510 0.066 0.000 0.979 96 N CA -2.217 50.817 53.050 -0.028 0.000 0.930 96 N CB 1.441 39.930 38.487 0.003 0.000 1.172 96 N HN -0.158 nan 8.380 nan 0.000 0.499 97 P HA -0.053 nan 4.420 nan 0.000 0.223 97 P C 0.527 177.863 177.300 0.059 0.000 1.144 97 P CA 1.023 64.190 63.100 0.111 0.000 0.783 97 P CB 0.331 32.084 31.700 0.089 0.000 0.771 98 R N -1.149 119.369 120.500 0.031 0.000 2.359 98 R HA 0.203 4.543 4.340 -0.001 0.000 0.231 98 R C -0.099 176.176 176.300 -0.041 0.000 0.913 98 R CA 0.120 56.212 56.100 -0.013 0.000 1.075 98 R CB 0.192 30.473 30.300 -0.032 0.000 1.087 98 R HN 0.135 nan 8.270 nan 0.000 0.515 99 V N 0.640 120.560 119.914 0.011 0.000 2.409 99 V HA 0.588 4.708 4.120 -0.001 0.000 0.291 99 V C 0.475 176.612 176.094 0.071 0.000 1.020 99 V CA -0.740 61.575 62.300 0.026 0.000 0.848 99 V CB 1.647 33.552 31.823 0.136 0.000 0.990 99 V HN 0.287 nan 8.190 nan 0.000 0.430 100 G N 3.807 112.621 108.800 0.023 0.000 3.013 100 G HA2 0.771 4.731 3.960 -0.001 0.000 0.278 100 G HA3 0.771 4.731 3.960 -0.001 0.000 0.278 100 G C -1.695 173.251 174.900 0.076 0.000 1.353 100 G CA -0.622 44.492 45.100 0.024 0.000 1.043 100 G HN 0.517 nan 8.290 nan 0.000 0.523 101 L N 0.369 121.586 121.223 -0.009 0.000 2.476 101 L HA 0.628 4.967 4.340 -0.001 0.000 0.269 101 L C -1.493 175.292 176.870 -0.142 0.000 0.965 101 L CA -0.547 54.294 54.840 0.001 0.000 0.845 101 L CB 1.298 43.377 42.059 0.034 0.000 1.259 101 L HN 0.510 nan 8.230 nan 0.000 0.403 102 I N 5.081 125.578 120.570 -0.121 0.000 2.521 102 I HA 0.615 4.784 4.170 -0.001 0.000 0.277 102 I C -0.321 175.775 176.117 -0.035 0.000 1.054 102 I CA -0.202 61.008 61.300 -0.149 0.000 1.117 102 I CB 1.746 39.641 38.000 -0.175 0.000 1.217 102 I HN 0.726 nan 8.210 nan 0.000 0.469 103 A N 4.150 126.972 122.820 0.004 0.000 2.515 103 A HA 0.997 5.317 4.320 -0.001 0.000 0.298 103 A C -0.551 177.067 177.584 0.057 0.000 1.059 103 A CA -0.480 51.573 52.037 0.027 0.000 0.698 103 A CB 1.964 20.977 19.000 0.021 0.000 1.289 103 A HN 0.709 nan 8.150 nan 0.000 0.404 104 G N -0.423 108.412 108.800 0.059 0.000 2.721 104 G HA2 0.788 4.748 3.960 -0.001 0.000 0.296 104 G HA3 0.788 4.748 3.960 -0.001 0.000 0.296 104 G C -0.596 174.342 174.900 0.063 0.000 1.383 104 G CA 0.237 45.379 45.100 0.070 0.000 0.788 104 G HN 1.879 nan 8.290 nan 0.000 0.500 105 S N -1.969 113.771 115.700 0.067 0.000 2.632 105 S HA 0.690 5.159 4.470 -0.001 0.000 0.289 105 S C 1.002 175.642 174.600 0.067 0.000 1.115 105 S CA 0.305 58.543 58.200 0.064 0.000 0.889 105 S CB 1.565 64.804 63.200 0.065 0.000 1.116 105 S HN 1.552 nan 8.310 nan 0.000 0.486 106 G N -0.275 108.563 108.800 0.064 0.000 2.453 106 G HA2 0.344 4.303 3.960 -0.001 0.000 0.215 106 G HA3 0.344 4.303 3.960 -0.001 0.000 0.215 106 G C 0.849 175.800 174.900 0.086 0.000 1.147 106 G CA 0.351 45.495 45.100 0.072 0.000 0.802 106 G HN 1.234 nan 8.290 nan 0.000 0.535 107 G N -1.247 107.605 108.800 0.087 0.000 3.528 107 G HA2 0.464 4.423 3.960 -0.001 0.000 0.266 107 G HA3 0.464 4.423 3.960 -0.001 0.000 0.266 107 G C 1.047 175.992 174.900 0.074 0.000 1.004 107 G CA 0.805 45.958 45.100 0.087 0.000 0.853 107 G HN 1.052 nan 8.290 nan 0.000 0.501 108 G N 0.545 109.387 108.800 0.070 0.000 2.601 108 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.306 108 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.306 108 G C 0.470 175.413 174.900 0.073 0.000 1.172 108 G CA 0.815 45.955 45.100 0.067 0.000 0.966 108 G HN 1.435 nan 8.290 nan 0.000 0.542 109 S N 1.602 117.354 115.700 0.088 0.000 2.312 109 S HA 0.633 5.103 4.470 -0.001 0.000 0.173 109 S C -1.295 173.369 174.600 0.107 0.000 1.488 109 S CA 0.111 58.383 58.200 0.120 0.000 1.239 109 S CB 1.590 64.909 63.200 0.199 0.000 1.215 109 S HN 0.285 nan 8.310 nan 0.000 0.438 110 P HA -0.113 nan 4.420 nan 0.000 0.215 110 P C 1.493 178.756 177.300 -0.062 0.000 1.153 110 P CA 0.742 63.835 63.100 -0.011 0.000 0.853 110 P CB 0.104 31.775 31.700 -0.049 0.000 0.788 111 R N -1.086 119.349 120.500 -0.108 0.000 2.127 111 R HA -0.126 4.214 4.340 -0.001 0.000 0.238 111 R C 1.745 177.903 176.300 -0.237 0.000 1.134 111 R CA 1.592 57.555 56.100 -0.228 0.000 0.975 111 R CB -0.947 29.179 30.300 -0.290 0.000 0.865 111 R HN 0.131 nan 8.270 nan 0.000 0.447 112 F N -0.211 119.760 119.950 0.035 0.000 2.619 112 F HA 0.145 4.672 4.527 -0.001 0.000 0.293 112 F C 2.437 178.338 175.800 0.169 0.000 1.119 112 F CA 0.503 58.573 58.000 0.118 0.000 1.445 112 F CB 0.125 39.154 39.000 0.048 0.000 1.119 112 F HN 0.085 nan 8.300 nan 0.000 0.573 113 Q N -0.063 119.871 119.800 0.223 0.000 2.083 113 Q HA -0.125 4.215 4.340 -0.001 0.000 0.198 113 Q C 2.229 178.292 176.000 0.105 0.000 0.969 113 Q CA 1.427 57.321 55.803 0.151 0.000 0.838 113 Q CB -0.081 28.712 28.738 0.091 0.000 0.900 113 Q HN 0.211 nan 8.270 nan 0.000 0.436 114 V N 0.509 120.458 119.914 0.058 0.000 2.427 114 V HA -0.225 3.894 4.120 -0.001 0.000 0.248 114 V C 1.856 177.981 176.094 0.051 0.000 1.051 114 V CA 1.747 64.062 62.300 0.025 0.000 1.048 114 V CB -0.631 31.166 31.823 -0.043 0.000 0.666 114 V HN 0.435 nan 8.190 nan 0.000 0.456 115 F N 2.087 122.007 119.950 -0.050 0.000 2.134 115 F HA -0.015 4.512 4.527 -0.001 0.000 0.299 115 F C 2.170 177.993 175.800 0.039 0.000 1.097 115 F CA 1.764 59.742 58.000 -0.036 0.000 1.264 115 F CB -0.840 38.082 39.000 -0.130 0.000 1.001 115 F HN 0.124 nan 8.300 nan 0.000 0.479 116 G N -0.015 108.812 108.800 0.044 0.000 2.421 116 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.216 116 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.216 116 G C 1.815 176.632 174.900 -0.139 0.000 1.171 116 G CA 0.932 45.994 45.100 -0.063 0.000 0.775 116 G HN 0.641 nan 8.290 nan 0.000 0.543 117 A N 1.013 123.796 122.820 -0.062 0.000 1.877 117 A HA -0.046 4.273 4.320 -0.001 0.000 0.216 117 A C 2.121 179.651 177.584 -0.089 0.000 1.186 117 A CA 2.137 54.143 52.037 -0.052 0.000 0.620 117 A CB -0.496 18.497 19.000 -0.011 0.000 0.822 117 A HN 0.274 nan 8.150 nan 0.000 0.443 118 D N 0.069 120.402 120.400 -0.112 0.000 2.104 118 D HA -0.076 4.564 4.640 -0.001 0.000 0.194 118 D C 2.241 178.436 176.300 -0.175 0.000 0.994 118 D CA 1.656 55.590 54.000 -0.110 0.000 0.830 118 D CB -0.439 40.313 40.800 -0.080 0.000 0.959 118 D HN 0.415 nan 8.370 nan 0.000 0.452 119 A N 0.473 123.087 122.820 -0.342 0.000 1.898 119 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 119 A C 2.127 179.599 177.584 -0.187 0.000 1.181 119 A CA 1.703 53.534 52.037 -0.342 0.000 0.620 119 A CB -0.544 18.073 19.000 -0.639 0.000 0.819 119 A HN 0.152 nan 8.150 nan 0.000 0.442 120 M N -0.166 119.336 119.600 -0.163 0.000 2.108 120 M HA -0.126 4.354 4.480 -0.001 0.000 0.261 120 M C 1.899 178.162 176.300 -0.062 0.000 1.066 120 M CA 1.646 56.892 55.300 -0.090 0.000 1.107 120 M CB -0.552 32.008 32.600 -0.066 0.000 1.356 120 M HN 0.353 nan 8.290 nan 0.000 0.406 121 R N -0.016 120.447 120.500 -0.061 0.000 2.235 121 R HA 0.149 4.489 4.340 -0.001 0.000 0.213 121 R C 1.189 177.468 176.300 -0.035 0.000 1.059 121 R CA 0.676 56.752 56.100 -0.039 0.000 0.997 121 R CB -0.719 29.562 30.300 -0.031 0.000 0.884 121 R HN 0.508 nan 8.270 nan 0.000 0.462 122 G N 0.584 109.356 108.800 -0.046 0.000 2.616 122 G HA2 0.111 4.070 3.960 -0.001 0.000 0.268 122 G HA3 0.111 4.070 3.960 -0.001 0.000 0.268 122 G C -1.534 173.350 174.900 -0.026 0.000 1.213 122 G CA -1.099 43.981 45.100 -0.034 0.000 0.926 122 G HN -0.034 nan 8.290 nan 0.000 0.523 123 P HA -0.101 nan 4.420 nan 0.000 0.219 123 P C 1.416 178.709 177.300 -0.012 0.000 1.146 123 P CA 0.931 64.024 63.100 -0.012 0.000 0.808 123 P CB 0.265 31.960 31.700 -0.007 0.000 0.779 124 R N -0.996 119.495 120.500 -0.014 0.000 2.276 124 R HA 0.129 4.468 4.340 -0.001 0.000 0.196 124 R C 1.795 178.085 176.300 -0.016 0.000 0.961 124 R CA 0.597 56.691 56.100 -0.011 0.000 1.024 124 R CB -0.484 29.813 30.300 -0.005 0.000 0.940 124 R HN 0.190 nan 8.270 nan 0.000 0.480 125 G N 1.632 110.416 108.800 -0.026 0.000 2.672 125 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.332 125 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.332 125 G C 0.653 175.533 174.900 -0.032 0.000 1.213 125 G CA 0.510 45.591 45.100 -0.031 0.000 0.980 125 G HN 0.191 nan 8.290 nan 0.000 0.548 126 L N 1.696 122.907 121.223 -0.021 0.000 2.131 126 L HA 0.080 4.420 4.340 -0.001 0.000 0.210 126 L C 2.759 179.623 176.870 -0.009 0.000 1.092 126 L CA 2.761 57.592 54.840 -0.016 0.000 0.759 126 L CB -0.838 41.214 42.059 -0.012 0.000 0.903 126 L HN 0.668 nan 8.230 nan 0.000 0.435 127 K N -1.106 119.290 120.400 -0.006 0.000 2.217 127 K HA 0.030 4.349 4.320 -0.001 0.000 0.202 127 K C 2.054 178.667 176.600 0.021 0.000 1.051 127 K CA 0.989 57.279 56.287 0.005 0.000 0.952 127 K CB -0.242 32.261 32.500 0.005 0.000 0.736 127 K HN 0.259 nan 8.250 nan 0.000 0.453 128 A N 0.929 123.752 122.820 0.005 0.000 1.970 128 A HA -0.041 4.279 4.320 -0.001 0.000 0.216 128 A C 2.296 179.893 177.584 0.021 0.000 1.170 128 A CA 0.891 52.932 52.037 0.006 0.000 0.645 128 A CB -0.401 18.568 19.000 -0.053 0.000 0.816 128 A HN 0.048 nan 8.150 nan 0.000 0.447 129 V N -0.569 119.341 119.914 -0.006 0.000 2.244 129 V HA 0.278 4.398 4.120 -0.001 0.000 0.244 129 V C 1.631 177.857 176.094 0.220 0.000 1.042 129 V CA 1.198 63.530 62.300 0.053 0.000 1.006 129 V CB -1.953 29.879 31.823 0.015 0.000 0.641 129 V HN 1.273 nan 8.190 nan 0.000 0.446 130 G N 0.535 109.392 108.800 0.095 0.000 2.712 130 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.683 130 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.683 130 G C -2.224 172.630 174.900 -0.076 0.000 1.320 130 G CA -0.133 44.984 45.100 0.029 0.000 0.847 130 G HN 0.346 nan 8.290 nan 0.000 0.553 131 P HA 0.344 nan 4.420 nan 0.000 0.263 131 P C -0.095 176.929 177.300 -0.459 0.000 1.448 131 P CA 0.375 63.236 63.100 -0.398 0.000 0.983 131 P CB -0.085 31.322 31.700 -0.488 0.000 1.481 132 Y N -1.722 118.579 120.300 0.002 0.000 2.588 132 Y HA 0.136 4.685 4.550 -0.001 0.000 0.247 132 Y C 2.013 177.884 175.900 -0.047 0.000 1.157 132 Y CA -0.253 57.821 58.100 -0.042 0.000 1.215 132 Y CB -0.166 38.168 38.460 -0.210 0.000 1.245 132 Y HN -0.275 nan 8.280 nan 0.000 0.534 133 V N -1.524 118.472 119.914 0.137 0.000 2.548 133 V HA -0.176 3.943 4.120 -0.001 0.000 0.249 133 V C 2.021 178.173 176.094 0.096 0.000 1.055 133 V CA 1.328 63.709 62.300 0.133 0.000 1.065 133 V CB -0.703 31.277 31.823 0.262 0.000 0.681 133 V HN 0.216 nan 8.190 nan 0.000 0.462 134 V N 1.464 121.435 119.914 0.095 0.000 2.261 134 V HA -0.264 3.856 4.120 -0.001 0.000 0.246 134 V C 2.888 179.022 176.094 0.066 0.000 1.047 134 V CA 2.688 65.034 62.300 0.078 0.000 1.015 134 V CB -1.304 30.560 31.823 0.068 0.000 0.642 134 V HN 0.795 nan 8.190 nan 0.000 0.446 135 T N -1.866 112.741 114.554 0.088 0.000 2.915 135 T HA -0.181 4.168 4.350 -0.001 0.000 0.269 135 T C 1.725 176.432 174.700 0.012 0.000 1.071 135 T CA 1.335 63.475 62.100 0.067 0.000 1.132 135 T CB -0.260 68.688 68.868 0.132 0.000 0.878 135 T HN 0.475 nan 8.240 nan 0.000 0.479 136 K N 0.963 121.333 120.400 -0.051 0.000 2.137 136 K HA 0.352 4.671 4.320 -0.001 0.000 0.202 136 K C 2.576 179.146 176.600 -0.050 0.000 1.052 136 K CA 0.900 57.073 56.287 -0.189 0.000 0.961 136 K CB -0.092 32.041 32.500 -0.612 0.000 0.741 136 K HN 0.423 nan 8.250 nan 0.000 0.452 137 A N 1.767 124.606 122.820 0.031 0.000 2.095 137 A HA 0.105 4.425 4.320 -0.001 0.000 0.212 137 A C 1.184 178.811 177.584 0.072 0.000 1.162 137 A CA -0.203 51.892 52.037 0.097 0.000 0.753 137 A CB -0.315 18.772 19.000 0.144 0.000 0.840 137 A HN 0.302 nan 8.150 nan 0.000 0.468 138 M N -1.352 118.281 119.600 0.055 0.000 2.248 138 M HA 0.487 4.966 4.480 -0.001 0.000 0.337 138 M C 0.916 177.246 176.300 0.049 0.000 1.121 138 M CA 0.447 55.777 55.300 0.049 0.000 1.155 138 M CB 0.624 33.249 32.600 0.042 0.000 1.514 138 M HN 0.057 nan 8.290 nan 0.000 0.452 139 A N 2.401 125.252 122.820 0.050 0.000 1.978 139 A HA -0.122 4.198 4.320 -0.001 0.000 0.220 139 A C 2.067 179.686 177.584 0.057 0.000 1.170 139 A CA 2.066 54.136 52.037 0.054 0.000 0.636 139 A CB -0.999 18.032 19.000 0.052 0.000 0.810 139 A HN 1.027 nan 8.150 nan 0.000 0.448 140 S N -0.796 114.937 115.700 0.055 0.000 2.631 140 S HA 0.261 4.731 4.470 -0.001 0.000 0.217 140 S C 1.694 176.326 174.600 0.054 0.000 0.958 140 S CA 0.635 58.873 58.200 0.063 0.000 0.920 140 S CB -0.468 62.772 63.200 0.067 0.000 0.776 140 S HN 0.615 nan 8.310 nan 0.000 0.517 141 G N 2.245 111.072 108.800 0.044 0.000 2.513 141 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.219 141 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.219 141 G C 1.323 176.248 174.900 0.041 0.000 1.160 141 G CA 1.251 46.370 45.100 0.032 0.000 0.767 141 G HN 0.484 nan 8.290 nan 0.000 0.571 142 V N 1.660 121.605 119.914 0.052 0.000 2.332 142 V HA -0.224 3.895 4.120 -0.001 0.000 0.248 142 V C 3.262 179.400 176.094 0.072 0.000 1.055 142 V CA 2.566 64.905 62.300 0.065 0.000 1.038 142 V CB -0.436 31.426 31.823 0.066 0.000 0.651 142 V HN 0.654 nan 8.190 nan 0.000 0.450 143 S N 0.438 116.177 115.700 0.065 0.000 2.388 143 S HA 0.009 4.479 4.470 -0.001 0.000 0.223 143 S C 2.134 176.770 174.600 0.060 0.000 1.034 143 S CA 0.948 59.184 58.200 0.059 0.000 0.963 143 S CB -0.396 62.839 63.200 0.057 0.000 0.827 143 S HN 0.529 nan 8.310 nan 0.000 0.481 144 A N 1.006 123.856 122.820 0.050 0.000 1.908 144 A HA -0.083 4.236 4.320 -0.001 0.000 0.218 144 A C 2.341 179.939 177.584 0.024 0.000 1.181 144 A CA 1.616 53.670 52.037 0.028 0.000 0.627 144 A CB -1.503 17.503 19.000 0.010 0.000 0.818 144 A HN 0.697 nan 8.150 nan 0.000 0.445 145 C N -0.575 118.750 119.300 0.043 0.000 2.522 145 C HA 0.203 4.663 4.460 -0.001 0.000 0.271 145 C C 2.281 177.367 174.990 0.161 0.000 1.425 145 C CA 0.360 59.413 59.018 0.058 0.000 1.751 145 C CB -1.312 26.455 27.740 0.046 0.000 1.775 145 C HN 0.558 nan 8.230 nan 0.000 0.557 146 L N -0.061 121.275 121.223 0.189 0.000 2.362 146 L HA 0.138 4.478 4.340 -0.001 0.000 0.204 146 L C 2.806 179.846 176.870 0.283 0.000 1.060 146 L CA 1.121 56.149 54.840 0.313 0.000 0.827 146 L CB -1.253 40.934 42.059 0.214 0.000 1.027 146 L HN 0.189 nan 8.230 nan 0.000 0.474 147 A N 0.226 123.138 122.820 0.154 0.000 1.972 147 A HA -0.155 4.164 4.320 -0.001 0.000 0.219 147 A C 2.293 179.952 177.584 0.125 0.000 1.169 147 A CA 2.240 54.355 52.037 0.129 0.000 0.635 147 A CB -0.681 18.365 19.000 0.078 0.000 0.810 147 A HN 0.369 nan 8.150 nan 0.000 0.446 148 T N 0.312 114.913 114.554 0.079 0.000 2.732 148 T HA -0.042 4.308 4.350 -0.001 0.000 0.261 148 T C -0.053 174.665 174.700 0.030 0.000 1.040 148 T CA 1.473 63.593 62.100 0.033 0.000 1.145 148 T CB -0.984 67.857 68.868 -0.045 0.000 0.866 148 T HN 0.500 nan 8.240 nan 0.000 0.427 149 P HA 0.016 nan 4.420 nan 0.000 0.219 149 P C 0.802 178.024 177.300 -0.131 0.000 1.150 149 P CA 1.006 64.067 63.100 -0.064 0.000 0.814 149 P CB -0.238 31.430 31.700 -0.053 0.000 0.787 150 F N -0.208 119.766 119.950 0.041 0.000 2.811 150 F HA 0.172 4.699 4.527 -0.001 0.000 0.301 150 F C 0.846 176.660 175.800 0.024 0.000 1.151 150 F CA 0.305 58.320 58.000 0.025 0.000 1.412 150 F CB -0.650 38.308 39.000 -0.069 0.000 1.113 150 F HN -0.202 nan 8.300 nan 0.000 0.579 151 K N 0.204 120.684 120.400 0.133 0.000 3.117 151 K HA -0.171 4.148 4.320 -0.001 0.000 0.269 151 K C -0.539 176.100 176.600 0.065 0.000 1.098 151 K CA 0.154 56.473 56.287 0.053 0.000 0.785 151 K CB -1.810 30.644 32.500 -0.077 0.000 1.242 151 K HN 0.069 nan 8.250 nan 0.000 0.491 152 I N 0.729 121.403 120.570 0.174 0.000 2.529 152 I HA -0.000 4.169 4.170 -0.001 0.000 0.284 152 I C 1.702 178.004 176.117 0.310 0.000 1.082 152 I CA 0.522 61.939 61.300 0.196 0.000 1.406 152 I CB 0.711 38.817 38.000 0.176 0.000 1.405 152 I HN 0.329 nan 8.210 nan 0.000 0.548 153 H N 3.079 122.184 119.070 0.058 0.000 3.046 153 H HA 0.176 4.732 4.556 -0.001 0.000 0.262 153 H C 1.332 176.676 175.328 0.026 0.000 1.044 153 H CA 0.021 56.090 56.048 0.034 0.000 1.209 153 H CB 1.458 31.235 29.762 0.026 0.000 1.507 153 H HN 0.777 nan 8.280 nan 0.000 0.507 154 G N 1.174 110.060 108.800 0.143 0.000 2.873 154 G HA2 0.199 4.159 3.960 -0.001 0.000 0.170 154 G HA3 0.199 4.159 3.960 -0.001 0.000 0.170 154 G C 0.216 175.132 174.900 0.026 0.000 1.608 154 G CA 0.107 45.246 45.100 0.066 0.000 1.084 154 G HN 0.108 nan 8.290 nan 0.000 0.563 155 V N -0.679 119.219 119.914 -0.027 0.000 2.843 155 V HA 0.455 4.575 4.120 -0.001 0.000 0.305 155 V C -0.203 175.792 176.094 -0.164 0.000 1.065 155 V CA -0.345 61.892 62.300 -0.105 0.000 1.116 155 V CB 1.165 32.848 31.823 -0.233 0.000 0.968 155 V HN 0.721 nan 8.190 nan 0.000 0.487 156 N N 3.107 121.699 118.700 -0.180 0.000 2.747 156 N HA 0.476 5.215 4.740 -0.001 0.000 0.262 156 N C -1.246 174.262 175.510 -0.003 0.000 1.261 156 N CA -0.573 52.409 53.050 -0.113 0.000 0.809 156 N CB 1.098 39.588 38.487 0.005 0.000 1.450 156 N HN 1.003 nan 8.380 nan 0.000 0.560 157 Y N -0.996 119.324 120.300 0.034 0.000 2.814 157 Y HA 0.680 5.230 4.550 -0.000 0.000 0.348 157 Y C -1.363 174.555 175.900 0.030 0.000 1.245 157 Y CA -1.175 56.942 58.100 0.028 0.000 1.086 157 Y CB 0.240 38.712 38.460 0.021 0.000 1.373 157 Y HN 0.090 nan 8.280 nan 0.000 0.451 158 S N 1.860 117.766 115.700 0.343 0.000 2.503 158 S HA 0.747 5.217 4.470 -0.001 0.000 0.301 158 S C -1.000 173.737 174.600 0.228 0.000 1.087 158 S CA -0.746 57.589 58.200 0.226 0.000 1.042 158 S CB 1.112 64.391 63.200 0.132 0.000 1.043 158 S HN 0.500 nan 8.310 nan 0.000 0.489 159 I N 2.199 122.882 120.570 0.188 0.000 2.412 159 I HA 0.473 4.642 4.170 -0.001 0.000 0.296 159 I C 0.146 176.331 176.117 0.113 0.000 0.987 159 I CA -0.243 61.142 61.300 0.142 0.000 1.180 159 I CB 1.534 39.631 38.000 0.162 0.000 1.340 159 I HN 0.490 nan 8.210 nan 0.000 0.455 160 S N 3.533 119.284 115.700 0.086 0.000 2.594 160 S HA 0.578 5.048 4.470 -0.001 0.000 0.296 160 S C -0.245 174.409 174.600 0.090 0.000 1.124 160 S CA -0.420 57.833 58.200 0.088 0.000 1.011 160 S CB 0.953 64.196 63.200 0.073 0.000 1.016 160 S HN 0.684 nan 8.310 nan 0.000 0.485 161 S N 2.781 118.559 115.700 0.130 0.000 2.686 161 S HA 0.649 5.119 4.470 -0.001 0.000 0.223 161 S C 0.591 175.279 174.600 0.146 0.000 0.885 161 S CA -0.050 58.243 58.200 0.155 0.000 1.115 161 S CB 0.027 63.397 63.200 0.283 0.000 1.459 161 S HN 1.738 nan 8.310 nan 0.000 0.444 162 A N 0.542 123.426 122.820 0.107 0.000 5.295 162 A HA -0.319 4.001 4.320 -0.001 0.000 0.313 162 A C 1.431 179.037 177.584 0.036 0.000 1.912 162 A CA 1.039 53.119 52.037 0.071 0.000 0.714 162 A CB -1.962 17.083 19.000 0.075 0.000 1.319 162 A HN 1.284 nan 8.150 nan 0.000 0.375 163 C N 0.503 119.802 119.300 -0.002 0.000 2.509 163 C HA 0.523 4.982 4.460 -0.001 0.000 0.301 163 C C 2.035 177.044 174.990 0.030 0.000 1.317 163 C CA 0.809 59.846 59.018 0.032 0.000 1.667 163 C CB -1.822 25.974 27.740 0.094 0.000 1.717 163 C HN 1.415 nan 8.230 nan 0.000 0.595 164 A N -0.232 122.599 122.820 0.019 0.000 2.551 164 A HA 0.147 4.466 4.320 -0.001 0.000 0.252 164 A C 1.934 179.523 177.584 0.007 0.000 1.199 164 A CA 0.862 52.861 52.037 -0.062 0.000 0.972 164 A CB -0.486 18.469 19.000 -0.076 0.000 1.153 164 A HN 0.493 nan 8.150 nan 0.000 0.559 165 T N 0.130 114.738 114.554 0.090 0.000 2.597 165 T HA -0.261 4.088 4.350 -0.001 0.000 0.267 165 T C 2.113 176.858 174.700 0.075 0.000 1.053 165 T CA 2.866 65.042 62.100 0.126 0.000 1.165 165 T CB -0.981 67.945 68.868 0.096 0.000 0.863 165 T HN 0.859 nan 8.240 nan 0.000 0.427 166 S N 1.721 117.430 115.700 0.015 0.000 2.474 166 S HA 0.253 4.722 4.470 -0.001 0.000 0.235 166 S C 2.373 176.936 174.600 -0.061 0.000 0.997 166 S CA 0.804 58.993 58.200 -0.017 0.000 0.949 166 S CB -0.785 62.393 63.200 -0.038 0.000 0.766 166 S HN 0.855 nan 8.310 nan 0.000 0.517 167 A N 1.572 124.332 122.820 -0.099 0.000 1.898 167 A HA 0.046 4.366 4.320 -0.001 0.000 0.214 167 A C 1.925 179.428 177.584 -0.135 0.000 1.183 167 A CA 1.252 53.194 52.037 -0.159 0.000 0.622 167 A CB -1.024 17.836 19.000 -0.234 0.000 0.824 167 A HN 0.691 nan 8.150 nan 0.000 0.444 168 H N -1.800 117.281 119.070 0.018 0.000 2.457 168 H HA -0.106 4.450 4.556 -0.001 0.000 0.294 168 H C 2.127 177.439 175.328 -0.026 0.000 1.064 168 H CA 1.156 57.245 56.048 0.069 0.000 1.330 168 H CB -0.109 29.722 29.762 0.115 0.000 1.395 168 H HN 0.533 nan 8.280 nan 0.000 0.541 169 C N 0.089 119.436 119.300 0.078 0.000 2.432 169 C HA -0.115 4.344 4.460 -0.001 0.000 0.277 169 C C 2.658 177.603 174.990 -0.075 0.000 1.249 169 C CA 0.793 59.826 59.018 0.025 0.000 1.725 169 C CB -0.728 27.023 27.740 0.018 0.000 2.028 169 C HN 0.532 nan 8.230 nan 0.000 0.477 170 I N 0.877 121.363 120.570 -0.140 0.000 2.252 170 I HA -0.080 4.090 4.170 -0.001 0.000 0.245 170 I C 2.716 178.626 176.117 -0.344 0.000 1.102 170 I CA 1.709 62.887 61.300 -0.204 0.000 1.385 170 I CB -0.904 36.980 38.000 -0.194 0.000 1.064 170 I HN 0.435 nan 8.210 nan 0.000 0.414 171 G N 0.528 108.958 108.800 -0.616 0.000 2.440 171 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.218 171 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.218 171 G C 1.409 175.887 174.900 -0.702 0.000 1.154 171 G CA 1.202 45.449 45.100 -1.423 0.000 0.767 171 G HN 0.339 nan 8.290 nan 0.000 0.552 172 N N 0.458 118.993 118.700 -0.274 0.000 2.188 172 N HA 0.047 4.787 4.740 -0.001 0.000 0.184 172 N C 2.409 177.898 175.510 -0.035 0.000 1.018 172 N CA 1.225 54.269 53.050 -0.011 0.000 0.858 172 N CB -0.189 38.364 38.487 0.109 0.000 0.989 172 N HN 0.270 nan 8.380 nan 0.000 0.426 173 A N -0.193 122.565 122.820 -0.103 0.000 1.902 173 A HA -0.078 4.241 4.320 -0.001 0.000 0.217 173 A C 2.297 179.818 177.584 -0.105 0.000 1.181 173 A CA 1.251 53.223 52.037 -0.109 0.000 0.623 173 A CB -0.821 18.096 19.000 -0.139 0.000 0.818 173 A HN 0.154 nan 8.150 nan 0.000 0.443 174 V N 0.294 120.130 119.914 -0.131 0.000 2.343 174 V HA -0.287 3.833 4.120 -0.001 0.000 0.247 174 V C 2.369 178.445 176.094 -0.030 0.000 1.051 174 V CA 2.340 64.585 62.300 -0.091 0.000 1.036 174 V CB -0.869 30.889 31.823 -0.108 0.000 0.654 174 V HN 0.654 nan 8.190 nan 0.000 0.451 175 E N -0.663 119.537 120.200 0.001 0.000 2.204 175 E HA -0.229 4.121 4.350 -0.001 0.000 0.195 175 E C 2.340 178.957 176.600 0.028 0.000 0.990 175 E CA 0.837 57.267 56.400 0.050 0.000 0.821 175 E CB -0.119 29.643 29.700 0.103 0.000 0.750 175 E HN 0.529 nan 8.360 nan 0.000 0.477 176 Q N 0.173 119.977 119.800 0.006 0.000 2.119 176 Q HA -0.110 4.229 4.340 -0.001 0.000 0.201 176 Q C 2.178 178.166 176.000 -0.021 0.000 0.972 176 Q CA 0.937 56.739 55.803 -0.002 0.000 0.847 176 Q CB -0.071 28.652 28.738 -0.024 0.000 0.903 176 Q HN 0.298 nan 8.270 nan 0.000 0.433 177 I N 0.835 121.383 120.570 -0.038 0.000 2.286 177 I HA -0.244 3.926 4.170 -0.001 0.000 0.245 177 I C 2.344 178.449 176.117 -0.019 0.000 1.104 177 I CA 1.159 62.432 61.300 -0.045 0.000 1.397 177 I CB -0.225 37.738 38.000 -0.062 0.000 1.072 177 I HN 0.183 nan 8.210 nan 0.000 0.417 178 Q N -0.143 119.655 119.800 -0.004 0.000 2.124 178 Q HA -0.132 4.207 4.340 -0.001 0.000 0.202 178 Q C 2.065 178.072 176.000 0.013 0.000 0.977 178 Q CA 1.248 57.057 55.803 0.010 0.000 0.850 178 Q CB -0.225 28.529 28.738 0.027 0.000 0.901 178 Q HN 0.466 nan 8.270 nan 0.000 0.429 179 L N -0.218 121.014 121.223 0.015 0.000 2.610 179 L HA 0.062 4.401 4.340 -0.001 0.000 0.232 179 L C 1.092 177.967 176.870 0.009 0.000 1.149 179 L CA 0.324 55.173 54.840 0.016 0.000 0.872 179 L CB -0.386 41.687 42.059 0.024 0.000 0.992 179 L HN 0.424 nan 8.230 nan 0.000 0.447 180 G N 0.380 109.181 108.800 0.001 0.000 2.203 180 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.263 180 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.263 180 G C 1.017 175.914 174.900 -0.006 0.000 1.012 180 G CA 0.816 45.914 45.100 -0.004 0.000 0.749 180 G HN 0.411 nan 8.290 nan 0.000 0.512 181 K N -1.022 119.375 120.400 -0.006 0.000 2.243 181 K HA 0.104 4.424 4.320 -0.001 0.000 0.201 181 K C 1.104 177.693 176.600 -0.019 0.000 1.051 181 K CA 0.853 57.139 56.287 -0.003 0.000 0.970 181 K CB 0.063 32.569 32.500 0.010 0.000 0.755 181 K HN 0.433 nan 8.250 nan 0.000 0.465 182 Q N -0.337 119.437 119.800 -0.042 0.000 2.423 182 Q HA 0.142 4.482 4.340 -0.001 0.000 0.278 182 Q C -0.543 175.384 176.000 -0.122 0.000 1.097 182 Q CA -0.363 55.395 55.803 -0.076 0.000 0.809 182 Q CB 1.997 30.683 28.738 -0.085 0.000 1.391 182 Q HN -0.045 nan 8.270 nan 0.000 0.428 183 D N 0.264 120.550 120.400 -0.191 0.000 2.324 183 D HA 0.270 4.909 4.640 -0.001 0.000 0.212 183 D C 0.274 176.348 176.300 -0.376 0.000 0.984 183 D CA 0.858 54.660 54.000 -0.330 0.000 0.885 183 D CB 1.193 41.650 40.800 -0.573 0.000 0.996 183 D HN 0.370 nan 8.370 nan 0.000 0.505 184 I N 0.577 120.950 120.570 -0.328 0.000 2.656 184 I HA 0.276 4.445 4.170 -0.001 0.000 0.292 184 I C -1.232 174.679 176.117 -0.342 0.000 1.144 184 I CA -0.794 60.285 61.300 -0.369 0.000 1.038 184 I CB 3.341 41.081 38.000 -0.434 0.000 1.244 184 I HN -0.416 nan 8.210 nan 0.000 0.420 185 V N 5.536 125.209 119.914 -0.401 0.000 2.612 185 V HA 0.369 4.489 4.120 -0.001 0.000 0.301 185 V C -0.805 175.063 176.094 -0.378 0.000 1.059 185 V CA -0.584 61.534 62.300 -0.302 0.000 0.886 185 V CB 1.785 33.495 31.823 -0.188 0.000 1.007 185 V HN 0.390 nan 8.190 nan 0.000 0.426 186 F N 3.494 123.343 119.950 -0.169 0.000 2.445 186 F HA 0.684 5.211 4.527 -0.001 0.000 0.359 186 F C 0.779 176.480 175.800 -0.165 0.000 1.101 186 F CA 0.058 57.942 58.000 -0.194 0.000 1.177 186 F CB 1.098 39.945 39.000 -0.255 0.000 1.110 186 F HN 0.590 nan 8.300 nan 0.000 0.522 187 A N 2.543 125.349 122.820 -0.023 0.000 2.374 187 A HA 0.964 5.284 4.320 -0.001 0.000 0.317 187 A C 0.079 177.633 177.584 -0.050 0.000 1.094 187 A CA 0.068 52.074 52.037 -0.051 0.000 0.765 187 A CB 1.496 20.438 19.000 -0.097 0.000 1.268 187 A HN 1.045 nan 8.150 nan 0.000 0.438 188 G N -0.637 108.138 108.800 -0.041 0.000 2.491 188 G HA2 0.677 4.637 3.960 -0.001 0.000 0.183 188 G HA3 0.677 4.637 3.960 -0.001 0.000 0.183 188 G C -0.103 174.788 174.900 -0.014 0.000 1.221 188 G CA 0.443 45.517 45.100 -0.043 0.000 0.996 188 G HN 2.424 nan 8.290 nan 0.000 0.474 189 G N -2.113 106.684 108.800 -0.004 0.000 2.340 189 G HA2 0.821 4.780 3.960 -0.001 0.000 0.299 189 G HA3 0.821 4.780 3.960 -0.001 0.000 0.299 189 G C -0.462 174.466 174.900 0.046 0.000 1.291 189 G CA 0.798 45.913 45.100 0.025 0.000 0.841 189 G HN 2.187 nan 8.290 nan 0.000 0.500 190 G N -1.316 107.526 108.800 0.070 0.000 2.677 190 G HA2 0.684 4.644 3.960 -0.001 0.000 0.291 190 G HA3 0.684 4.644 3.960 -0.001 0.000 0.291 190 G C -1.974 172.994 174.900 0.113 0.000 1.435 190 G CA -0.251 44.920 45.100 0.117 0.000 0.826 190 G HN 0.721 nan 8.290 nan 0.000 0.491 191 E N -0.391 119.909 120.200 0.166 0.000 2.321 191 E HA 0.365 4.715 4.350 -0.001 0.000 0.281 191 E C -0.300 176.413 176.600 0.189 0.000 0.910 191 E CA -0.684 55.791 56.400 0.126 0.000 0.770 191 E CB 1.633 31.374 29.700 0.068 0.000 1.225 191 E HN 0.714 nan 8.360 nan 0.000 0.417 192 E N 3.155 123.420 120.200 0.108 0.000 2.345 192 E HA 0.413 4.763 4.350 -0.001 0.000 0.259 192 E C -0.833 175.806 176.600 0.065 0.000 1.117 192 E CA -0.822 55.629 56.400 0.084 0.000 0.913 192 E CB 1.141 30.845 29.700 0.007 0.000 1.057 192 E HN 0.259 nan 8.360 nan 0.000 0.432 193 L N 2.428 123.660 121.223 0.016 0.000 2.319 193 L HA 0.444 4.783 4.340 -0.001 0.000 0.281 193 L C -1.319 175.556 176.870 0.009 0.000 1.005 193 L CA -0.371 54.423 54.840 -0.075 0.000 0.828 193 L CB 0.779 42.616 42.059 -0.369 0.000 1.227 193 L HN 0.908 nan 8.230 nan 0.000 0.415 194 C N 2.249 121.619 119.300 0.117 0.000 3.171 194 C HA 0.414 4.873 4.460 -0.001 0.000 0.336 194 C C 1.088 176.163 174.990 0.142 0.000 1.198 194 C CA -1.064 58.028 59.018 0.124 0.000 1.319 194 C CB 0.601 28.282 27.740 -0.098 0.000 1.682 194 C HN 1.050 nan 8.230 nan 0.000 0.497 195 W N 1.125 122.556 121.300 0.219 0.000 2.374 195 W HA -0.024 4.635 4.660 -0.001 0.000 0.288 195 W C 1.062 177.658 176.519 0.130 0.000 1.218 195 W CA 1.867 59.305 57.345 0.154 0.000 1.245 195 W CB -1.046 28.463 29.460 0.082 0.000 1.126 195 W HN 0.892 nan 8.180 nan 0.000 0.545 196 E N 0.839 120.373 120.200 -1.109 0.000 2.114 196 E HA -0.287 4.063 4.350 -0.001 0.000 0.199 196 E C 2.335 178.772 176.600 -0.272 0.000 1.008 196 E CA 3.016 58.800 56.400 -1.028 0.000 0.810 196 E CB -0.633 28.515 29.700 -0.920 0.000 0.739 196 E HN 0.415 nan 8.360 nan 0.000 0.456 197 M N -0.795 118.744 119.600 -0.101 0.000 2.429 197 M HA 0.134 4.613 4.480 -0.001 0.000 0.265 197 M C 2.089 178.549 176.300 0.266 0.000 1.120 197 M CA 1.163 56.514 55.300 0.086 0.000 1.173 197 M CB 0.159 32.838 32.600 0.132 0.000 1.343 197 M HN 0.131 nan 8.290 nan 0.000 0.464 198 A N 0.581 123.572 122.820 0.284 0.000 1.908 198 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 198 A C 2.362 180.144 177.584 0.329 0.000 1.181 198 A CA 1.863 54.117 52.037 0.360 0.000 0.627 198 A CB -1.829 17.362 19.000 0.318 0.000 0.818 198 A HN 0.884 nan 8.150 nan 0.000 0.445 199 C N -0.538 118.935 119.300 0.289 0.000 2.410 199 C HA -0.068 4.392 4.460 -0.001 0.000 0.281 199 C C 2.114 177.210 174.990 0.177 0.000 1.318 199 C CA 1.193 60.361 59.018 0.251 0.000 1.776 199 C CB -1.561 26.382 27.740 0.338 0.000 1.942 199 C HN 0.652 nan 8.230 nan 0.000 0.508 200 E N -0.192 120.089 120.200 0.136 0.000 2.285 200 E HA -0.002 4.347 4.350 -0.001 0.000 0.194 200 E C 1.648 178.221 176.600 -0.045 0.000 0.997 200 E CA 1.099 57.503 56.400 0.006 0.000 0.845 200 E CB -0.193 29.451 29.700 -0.094 0.000 0.782 200 E HN 0.814 nan 8.360 nan 0.000 0.491 201 F N 0.738 120.751 119.950 0.104 0.000 2.270 201 F HA -0.074 4.453 4.527 -0.000 0.000 0.295 201 F C 2.174 177.991 175.800 0.027 0.000 1.087 201 F CA 0.701 58.757 58.000 0.093 0.000 1.365 201 F CB 0.151 39.181 39.000 0.051 0.000 1.056 201 F HN -0.051 nan 8.300 nan 0.000 0.506 202 D N 0.420 120.941 120.400 0.202 0.000 2.117 202 D HA -0.146 4.494 4.640 -0.001 0.000 0.197 202 D C 2.250 178.601 176.300 0.084 0.000 0.987 202 D CA 1.263 55.326 54.000 0.104 0.000 0.829 202 D CB -0.211 40.650 40.800 0.101 0.000 0.961 202 D HN 0.156 nan 8.370 nan 0.000 0.460 203 A N 0.669 123.540 122.820 0.085 0.000 2.070 203 A HA -0.123 4.196 4.320 -0.001 0.000 0.220 203 A C 2.166 179.777 177.584 0.045 0.000 1.159 203 A CA 1.746 53.818 52.037 0.057 0.000 0.656 203 A CB -0.748 18.281 19.000 0.049 0.000 0.800 203 A HN 0.527 nan 8.150 nan 0.000 0.453 204 M N -3.203 116.433 119.600 0.060 0.000 2.404 204 M HA 0.471 4.951 4.480 -0.001 0.000 0.271 204 M C 0.962 177.311 176.300 0.081 0.000 1.128 204 M CA 0.596 55.930 55.300 0.056 0.000 0.982 204 M CB 0.089 32.719 32.600 0.050 0.000 1.445 204 M HN 0.564 nan 8.290 nan 0.000 0.495 205 G N 0.990 109.835 108.800 0.075 0.000 2.179 205 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.257 205 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.257 205 G C 0.807 175.753 174.900 0.077 0.000 1.010 205 G CA 0.501 45.639 45.100 0.063 0.000 0.736 205 G HN 0.795 nan 8.290 nan 0.000 0.513 206 A N -1.001 121.884 122.820 0.109 0.000 2.072 206 A HA 0.597 4.917 4.320 -0.001 0.000 0.216 206 A C 1.348 178.799 177.584 -0.223 0.000 1.156 206 A CA 0.836 52.933 52.037 0.100 0.000 0.701 206 A CB 0.095 19.319 19.000 0.374 0.000 0.816 206 A HN 0.664 nan 8.150 nan 0.000 0.458 207 L N -0.115 120.957 121.223 -0.252 0.000 2.379 207 L HA 0.347 4.687 4.340 -0.001 0.000 0.269 207 L C 0.741 177.535 176.870 -0.128 0.000 1.084 207 L CA -0.559 54.074 54.840 -0.345 0.000 0.802 207 L CB 1.461 43.365 42.059 -0.259 0.000 1.175 207 L HN 0.160 nan 8.230 nan 0.000 0.448 208 S N 0.003 115.655 115.700 -0.080 0.000 2.549 208 S HA 0.187 4.657 4.470 -0.001 0.000 0.279 208 S C 0.712 175.315 174.600 0.006 0.000 1.321 208 S CA 0.134 58.353 58.200 0.033 0.000 1.054 208 S CB 0.541 63.807 63.200 0.110 0.000 0.899 208 S HN 0.823 nan 8.310 nan 0.000 0.497 209 T N 1.269 115.823 114.554 -0.001 0.000 3.041 209 T HA 0.318 4.668 4.350 -0.001 0.000 0.276 209 T C 0.706 175.328 174.700 -0.129 0.000 0.948 209 T CA -0.521 61.527 62.100 -0.087 0.000 0.885 209 T CB 0.043 68.855 68.868 -0.093 0.000 1.175 209 T HN 0.576 nan 8.240 nan 0.000 0.529 210 K N 0.732 121.036 120.400 -0.160 0.000 2.374 210 K HA 0.225 4.545 4.320 -0.001 0.000 0.196 210 K C -0.390 175.813 176.600 -0.661 0.000 1.023 210 K CA 0.160 56.199 56.287 -0.414 0.000 1.103 210 K CB 0.135 32.306 32.500 -0.547 0.000 0.848 210 K HN 0.534 nan 8.250 nan 0.000 0.528 211 Y N 0.200 120.495 120.300 -0.009 0.000 2.715 211 Y HA 0.228 4.777 4.550 -0.001 0.000 0.255 211 Y C 1.068 176.988 175.900 0.032 0.000 1.139 211 Y CA -0.618 57.489 58.100 0.013 0.000 1.151 211 Y CB 0.143 38.617 38.460 0.024 0.000 1.201 211 Y HN -0.033 nan 8.280 nan 0.000 0.556 212 N N 0.702 119.457 118.700 0.092 0.000 2.272 212 N HA -0.161 4.579 4.740 -0.001 0.000 0.185 212 N C 0.862 176.490 175.510 0.196 0.000 1.014 212 N CA 1.448 54.590 53.050 0.153 0.000 0.870 212 N CB 0.059 38.601 38.487 0.092 0.000 0.975 212 N HN 0.455 nan 8.380 nan 0.000 0.433 213 D N -0.251 120.217 120.400 0.114 0.000 2.277 213 D HA -0.027 4.613 4.640 -0.001 0.000 0.208 213 D C 0.488 176.839 176.300 0.085 0.000 0.962 213 D CA 0.890 54.932 54.000 0.070 0.000 0.865 213 D CB 0.064 40.882 40.800 0.030 0.000 0.939 213 D HN 0.319 nan 8.370 nan 0.000 0.510 214 T N -2.090 112.544 114.554 0.133 0.000 3.317 214 T HA 0.341 4.690 4.350 -0.001 0.000 0.361 214 T C -2.341 172.450 174.700 0.150 0.000 1.499 214 T CA -1.723 60.455 62.100 0.129 0.000 1.529 214 T CB 1.923 70.872 68.868 0.135 0.000 0.997 214 T HN -0.275 nan 8.240 nan 0.000 0.624 215 P HA -0.155 nan 4.420 nan 0.000 0.216 215 P C 1.353 178.713 177.300 0.101 0.000 1.154 215 P CA 1.281 64.472 63.100 0.153 0.000 0.865 215 P CB 0.144 31.954 31.700 0.184 0.000 0.789 216 E N -0.740 119.506 120.200 0.076 0.000 2.472 216 E HA -0.121 4.229 4.350 -0.001 0.000 0.200 216 E C 1.206 177.806 176.600 -0.000 0.000 1.046 216 E CA 0.646 57.069 56.400 0.039 0.000 0.871 216 E CB -0.153 29.567 29.700 0.034 0.000 0.806 216 E HN 0.307 nan 8.360 nan 0.000 0.533 217 K N -0.521 119.873 120.400 -0.010 0.000 2.358 217 K HA 0.224 4.543 4.320 -0.001 0.000 0.200 217 K C 1.581 178.003 176.600 -0.297 0.000 1.030 217 K CA 0.277 56.498 56.287 -0.110 0.000 1.097 217 K CB 0.813 33.274 32.500 -0.065 0.000 0.862 217 K HN -0.005 nan 8.250 nan 0.000 0.534 218 A N 1.354 124.089 122.820 -0.142 0.000 1.877 218 A HA -0.067 4.252 4.320 -0.001 0.000 0.216 218 A C 1.494 178.977 177.584 -0.169 0.000 1.186 218 A CA 1.211 53.166 52.037 -0.137 0.000 0.620 218 A CB -0.224 18.838 19.000 0.103 0.000 0.822 218 A HN 0.157 nan 8.150 nan 0.000 0.443 219 S N 0.543 116.191 115.700 -0.087 0.000 2.405 219 S HA 0.390 4.859 4.470 -0.001 0.000 0.291 219 S C 0.261 174.792 174.600 -0.116 0.000 1.137 219 S CA -0.566 57.596 58.200 -0.064 0.000 1.061 219 S CB -0.263 62.925 63.200 -0.021 0.000 1.001 219 S HN 0.488 nan 8.310 nan 0.000 0.507 220 R N 2.554 122.974 120.500 -0.134 0.000 2.674 220 R HA 0.244 4.583 4.340 -0.001 0.000 0.270 220 R C -0.615 175.610 176.300 -0.125 0.000 1.492 220 R CA -0.669 55.352 56.100 -0.132 0.000 1.624 220 R CB -0.575 29.621 30.300 -0.174 0.000 1.307 220 R HN 0.332 nan 8.270 nan 0.000 0.683 221 T N 1.730 116.163 114.554 -0.201 0.000 2.905 221 T HA -0.083 4.267 4.350 -0.001 0.000 0.299 221 T C 0.219 174.699 174.700 -0.366 0.000 1.024 221 T CA 0.897 62.745 62.100 -0.420 0.000 1.151 221 T CB -0.174 68.288 68.868 -0.678 0.000 0.987 221 T HN 0.672 nan 8.240 nan 0.000 0.535 222 Y N -1.531 118.773 120.300 0.007 0.000 4.894 222 Y HA -0.266 4.283 4.550 -0.001 0.000 0.270 222 Y C 0.830 176.729 175.900 -0.003 0.000 0.930 222 Y CA 0.502 58.605 58.100 0.005 0.000 1.814 222 Y CB -1.555 36.907 38.460 0.004 0.000 1.235 222 Y HN 0.698 nan 8.280 nan 0.000 0.480 223 D N 1.043 121.496 120.400 0.088 0.000 2.382 223 D HA 0.481 5.121 4.640 -0.001 0.000 0.245 223 D C 1.169 177.478 176.300 0.014 0.000 1.120 223 D CA 0.780 54.814 54.000 0.058 0.000 0.890 223 D CB 1.390 42.212 40.800 0.036 0.000 1.201 223 D HN 0.249 nan 8.370 nan 0.000 0.433 224 A N 3.165 125.951 122.820 -0.056 0.000 2.076 224 A HA -0.184 4.136 4.320 -0.001 0.000 0.220 224 A C 1.072 178.403 177.584 -0.423 0.000 1.160 224 A CA 1.419 53.306 52.037 -0.250 0.000 0.653 224 A CB -0.576 18.203 19.000 -0.368 0.000 0.801 224 A HN 0.791 nan 8.150 nan 0.000 0.455 225 H N -0.798 118.327 119.070 0.092 0.000 2.469 225 H HA 0.193 4.749 4.556 -0.001 0.000 0.286 225 H C 0.514 175.947 175.328 0.176 0.000 1.106 225 H CA -0.374 55.757 56.048 0.139 0.000 1.055 225 H CB 0.101 29.972 29.762 0.182 0.000 1.618 225 H HN 0.589 nan 8.280 nan 0.000 0.559 226 R N 1.492 122.078 120.500 0.142 0.000 2.694 226 R HA 0.037 4.376 4.340 -0.001 0.000 0.268 226 R C -0.549 175.853 176.300 0.170 0.000 1.061 226 R CA 0.265 56.432 56.100 0.112 0.000 1.133 226 R CB 0.516 30.840 30.300 0.039 0.000 1.020 226 R HN 0.238 nan 8.270 nan 0.000 0.475 227 D N 0.452 120.966 120.400 0.189 0.000 3.007 227 D HA 0.231 4.871 4.640 -0.001 0.000 0.363 227 D C -0.088 176.282 176.300 0.117 0.000 1.474 227 D CA 0.052 54.150 54.000 0.163 0.000 0.767 227 D CB 0.297 41.212 40.800 0.191 0.000 1.227 227 D HN 0.953 nan 8.370 nan 0.000 0.471 228 G N 0.467 109.333 108.800 0.110 0.000 2.539 228 G HA2 0.210 4.169 3.960 -0.001 0.000 0.686 228 G HA3 0.210 4.169 3.960 -0.001 0.000 0.686 228 G C -0.497 174.464 174.900 0.103 0.000 1.258 228 G CA -0.703 44.449 45.100 0.086 0.000 0.846 228 G HN 0.385 nan 8.290 nan 0.000 0.647 229 F N -0.254 119.734 119.950 0.064 0.000 2.378 229 F HA 0.772 5.298 4.527 -0.001 0.000 0.319 229 F C 0.320 176.141 175.800 0.035 0.000 1.155 229 F CA -1.385 56.636 58.000 0.035 0.000 1.157 229 F CB 1.165 40.199 39.000 0.057 0.000 1.252 229 F HN 0.403 nan 8.300 nan 0.000 0.550 230 V N 4.755 124.867 119.914 0.330 0.000 2.328 230 V HA 0.232 4.352 4.120 -0.001 0.000 0.278 230 V C 0.319 176.620 176.094 0.344 0.000 1.021 230 V CA -0.826 61.601 62.300 0.212 0.000 0.838 230 V CB 0.845 32.761 31.823 0.153 0.000 0.999 230 V HN 0.848 nan 8.190 nan 0.000 0.447 231 I N 4.793 125.522 120.570 0.265 0.000 2.872 231 I HA 0.410 4.580 4.170 -0.001 0.000 0.291 231 I C 0.562 176.778 176.117 0.165 0.000 1.216 231 I CA 0.760 62.213 61.300 0.255 0.000 1.424 231 I CB 0.715 38.803 38.000 0.147 0.000 1.351 231 I HN 0.796 nan 8.210 nan 0.000 0.592 232 A N 4.734 127.593 122.820 0.065 0.000 2.593 232 A HA 0.886 5.206 4.320 -0.001 0.000 0.290 232 A C -0.656 176.885 177.584 -0.073 0.000 1.126 232 A CA -0.064 51.958 52.037 -0.025 0.000 0.695 232 A CB 1.294 20.298 19.000 0.006 0.000 1.290 232 A HN 0.852 nan 8.150 nan 0.000 0.414 233 G N -1.781 106.938 108.800 -0.135 0.000 2.680 233 G HA2 0.935 4.895 3.960 -0.001 0.000 0.290 233 G HA3 0.935 4.895 3.960 -0.001 0.000 0.290 233 G C -0.111 174.655 174.900 -0.223 0.000 1.355 233 G CA -0.187 44.856 45.100 -0.094 0.000 0.903 233 G HN 2.299 nan 8.290 nan 0.000 0.474 234 G N -1.942 106.713 108.800 -0.241 0.000 2.350 234 G HA2 0.619 4.578 3.960 -0.001 0.000 0.282 234 G HA3 0.619 4.578 3.960 -0.001 0.000 0.282 234 G C -0.387 174.444 174.900 -0.114 0.000 1.314 234 G CA 0.210 44.993 45.100 -0.528 0.000 0.915 234 G HN 1.903 nan 8.290 nan 0.000 0.499 235 G N -1.776 106.962 108.800 -0.102 0.000 2.695 235 G HA2 1.000 4.959 3.960 -0.001 0.000 0.290 235 G HA3 1.000 4.959 3.960 -0.001 0.000 0.290 235 G C -0.384 174.498 174.900 -0.030 0.000 1.410 235 G CA 0.242 45.357 45.100 0.024 0.000 0.844 235 G HN 1.964 nan 8.290 nan 0.000 0.478 236 G N -1.157 107.625 108.800 -0.030 0.000 2.733 236 G HA2 0.671 4.630 3.960 -0.001 0.000 0.297 236 G HA3 0.671 4.630 3.960 -0.001 0.000 0.297 236 G C -1.652 173.211 174.900 -0.062 0.000 1.422 236 G CA -0.653 44.404 45.100 -0.073 0.000 0.942 236 G HN 0.772 nan 8.290 nan 0.000 0.510 237 M N 1.143 120.698 119.600 -0.076 0.000 2.325 237 M HA 0.577 5.057 4.480 -0.001 0.000 0.285 237 M C -0.867 175.385 176.300 -0.079 0.000 1.119 237 M CA -0.624 54.636 55.300 -0.067 0.000 0.959 237 M CB 2.302 34.862 32.600 -0.066 0.000 1.737 237 M HN 1.042 nan 8.290 nan 0.000 0.486 238 V N 1.686 121.553 119.914 -0.080 0.000 2.914 238 V HA 0.916 5.036 4.120 -0.001 0.000 0.314 238 V C -1.116 174.916 176.094 -0.102 0.000 1.084 238 V CA -0.930 61.307 62.300 -0.105 0.000 0.963 238 V CB 1.947 33.681 31.823 -0.147 0.000 1.025 238 V HN 0.569 nan 8.190 nan 0.000 0.432 239 V N 3.445 123.281 119.914 -0.130 0.000 2.348 239 V HA 0.367 4.487 4.120 -0.001 0.000 0.270 239 V C 0.139 176.094 176.094 -0.232 0.000 1.037 239 V CA -0.368 61.775 62.300 -0.262 0.000 0.872 239 V CB 1.050 32.727 31.823 -0.244 0.000 1.002 239 V HN 0.726 nan 8.190 nan 0.000 0.464 240 V N 5.126 124.878 119.914 -0.271 0.000 2.383 240 V HA 0.437 4.556 4.120 -0.001 0.000 0.275 240 V C 0.108 176.066 176.094 -0.227 0.000 1.036 240 V CA -0.265 61.913 62.300 -0.204 0.000 0.889 240 V CB 1.250 32.963 31.823 -0.183 0.000 0.985 240 V HN 0.953 nan 8.190 nan 0.000 0.459 241 E N 2.720 122.822 120.200 -0.163 0.000 2.317 241 E HA 0.336 4.686 4.350 -0.001 0.000 0.270 241 E C -0.724 175.821 176.600 -0.091 0.000 0.885 241 E CA -0.731 55.579 56.400 -0.149 0.000 0.760 241 E CB 1.836 31.473 29.700 -0.105 0.000 1.227 241 E HN 0.721 nan 8.360 nan 0.000 0.434 242 E N 3.575 123.722 120.200 -0.087 0.000 2.384 242 E HA -0.034 4.316 4.350 -0.001 0.000 0.266 242 E C 0.824 177.431 176.600 0.012 0.000 1.012 242 E CA -0.149 56.229 56.400 -0.036 0.000 0.901 242 E CB 1.096 30.777 29.700 -0.031 0.000 0.967 242 E HN 0.580 nan 8.360 nan 0.000 0.435 243 L N 5.240 126.464 121.223 0.003 0.000 1.990 243 L HA -0.237 4.103 4.340 -0.001 0.000 0.213 243 L C 1.918 178.800 176.870 0.020 0.000 1.072 243 L CA 2.050 56.892 54.840 0.005 0.000 0.755 243 L CB -0.556 41.500 42.059 -0.005 0.000 0.889 243 L HN 0.569 nan 8.230 nan 0.000 0.432 244 E N -0.946 119.271 120.200 0.028 0.000 2.058 244 E HA -0.254 4.095 4.350 -0.001 0.000 0.194 244 E C 2.287 178.909 176.600 0.036 0.000 0.997 244 E CA 1.431 57.846 56.400 0.025 0.000 0.801 244 E CB -0.541 29.175 29.700 0.026 0.000 0.746 244 E HN 0.639 nan 8.360 nan 0.000 0.450 245 H N -0.175 118.879 119.070 -0.027 0.000 2.319 245 H HA -0.091 4.465 4.556 -0.001 0.000 0.299 245 H C 1.783 177.093 175.328 -0.030 0.000 1.092 245 H CA 1.905 57.936 56.048 -0.027 0.000 1.302 245 H CB 0.032 29.773 29.762 -0.034 0.000 1.373 245 H HN 0.165 nan 8.280 nan 0.000 0.497 246 A N 1.228 124.112 122.820 0.107 0.000 1.877 246 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 246 A C 2.924 180.494 177.584 -0.023 0.000 1.186 246 A CA 1.383 53.443 52.037 0.039 0.000 0.620 246 A CB -0.933 18.079 19.000 0.021 0.000 0.822 246 A HN 0.419 nan 8.150 nan 0.000 0.443 247 L N -0.806 120.402 121.223 -0.025 0.000 2.017 247 L HA -0.222 4.118 4.340 -0.001 0.000 0.208 247 L C 3.130 179.968 176.870 -0.052 0.000 1.073 247 L CA 1.150 55.969 54.840 -0.035 0.000 0.745 247 L CB -0.597 41.446 42.059 -0.027 0.000 0.894 247 L HN 0.448 nan 8.230 nan 0.000 0.432 248 A N 0.948 123.723 122.820 -0.075 0.000 1.986 248 A HA -0.223 4.096 4.320 -0.001 0.000 0.220 248 A C 2.143 179.664 177.584 -0.104 0.000 1.171 248 A CA 1.953 53.933 52.037 -0.095 0.000 0.640 248 A CB -0.589 18.333 19.000 -0.130 0.000 0.811 248 A HN 0.608 nan 8.150 nan 0.000 0.451 249 R N -1.191 119.233 120.500 -0.126 0.000 2.388 249 R HA 0.376 4.716 4.340 -0.001 0.000 0.247 249 R C 0.919 177.191 176.300 -0.048 0.000 0.931 249 R CA 0.519 56.562 56.100 -0.095 0.000 1.082 249 R CB -0.761 29.469 30.300 -0.118 0.000 1.135 249 R HN 0.679 nan 8.270 nan 0.000 0.525 250 G N 0.790 109.565 108.800 -0.041 0.000 2.305 250 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.287 250 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.287 250 G C 0.358 175.253 174.900 -0.009 0.000 1.036 250 G CA 0.224 45.310 45.100 -0.023 0.000 0.887 250 G HN 0.735 nan 8.290 nan 0.000 0.505 251 A N -0.028 122.786 122.820 -0.011 0.000 2.466 251 A HA 0.489 4.808 4.320 -0.001 0.000 0.238 251 A C 0.674 178.264 177.584 0.010 0.000 1.074 251 A CA 0.246 52.288 52.037 0.008 0.000 0.774 251 A CB 0.199 19.201 19.000 0.003 0.000 1.015 251 A HN 0.995 nan 8.150 nan 0.000 0.498 252 H N 2.152 121.177 119.070 -0.074 0.000 2.782 252 H HA 0.382 4.938 4.556 -0.001 0.000 0.285 252 H C -0.917 174.317 175.328 -0.156 0.000 1.093 252 H CA -0.267 55.696 56.048 -0.143 0.000 1.410 252 H CB 0.189 29.829 29.762 -0.203 0.000 1.439 252 H HN 0.486 nan 8.280 nan 0.000 0.469 253 I N 6.348 126.605 120.570 -0.522 0.000 2.325 253 I HA -0.050 4.120 4.170 -0.001 0.000 0.291 253 I C 0.206 175.969 176.117 -0.590 0.000 1.019 253 I CA -0.353 60.703 61.300 -0.406 0.000 1.302 253 I CB 0.937 38.824 38.000 -0.190 0.000 1.401 253 I HN 0.689 nan 8.210 nan 0.000 0.485 254 Y N 5.251 125.310 120.300 -0.401 0.000 2.177 254 Y HA 0.280 4.829 4.550 -0.001 0.000 0.291 254 Y C 1.197 177.002 175.900 -0.159 0.000 1.117 254 Y CA 1.032 58.970 58.100 -0.270 0.000 1.114 254 Y CB 0.124 38.504 38.460 -0.133 0.000 1.017 254 Y HN 0.639 nan 8.280 nan 0.000 0.505 255 A N -0.882 121.971 122.820 0.056 0.000 2.586 255 A HA 0.426 4.746 4.320 -0.001 0.000 0.290 255 A C -1.502 176.078 177.584 -0.008 0.000 1.086 255 A CA -0.799 51.245 52.037 0.011 0.000 0.665 255 A CB 0.959 19.973 19.000 0.024 0.000 1.279 255 A HN 0.075 nan 8.150 nan 0.000 0.423 256 E N 0.268 120.461 120.200 -0.011 0.000 2.204 256 E HA 0.582 4.932 4.350 -0.001 0.000 0.276 256 E C -1.180 175.414 176.600 -0.010 0.000 0.974 256 E CA -0.596 55.795 56.400 -0.015 0.000 0.815 256 E CB 0.971 30.664 29.700 -0.012 0.000 1.119 256 E HN 0.480 nan 8.360 nan 0.000 0.393 257 I N 5.677 126.237 120.570 -0.016 0.000 2.278 257 I HA 0.017 4.187 4.170 -0.001 0.000 0.296 257 I C 1.201 177.326 176.117 0.014 0.000 1.121 257 I CA -0.236 61.059 61.300 -0.009 0.000 1.267 257 I CB 0.675 38.656 38.000 -0.033 0.000 1.447 257 I HN 0.458 nan 8.210 nan 0.000 0.509 258 V N 2.518 122.446 119.914 0.023 0.000 3.541 258 V HA 0.414 4.533 4.120 -0.001 0.000 0.267 258 V C 0.804 176.930 176.094 0.053 0.000 1.213 258 V CA 0.324 62.643 62.300 0.031 0.000 1.149 258 V CB -0.501 31.335 31.823 0.022 0.000 0.822 258 V HN 0.686 nan 8.190 nan 0.000 0.462 259 G N -0.605 108.239 108.800 0.073 0.000 2.759 259 G HA2 0.535 4.495 3.960 -0.001 0.000 0.297 259 G HA3 0.535 4.495 3.960 -0.001 0.000 0.297 259 G C -2.271 172.734 174.900 0.174 0.000 1.434 259 G CA -0.555 44.607 45.100 0.104 0.000 0.980 259 G HN 0.341 nan 8.290 nan 0.000 0.531 260 Y N 1.303 121.616 120.300 0.022 0.000 2.307 260 Y HA 0.669 5.218 4.550 -0.001 0.000 0.323 260 Y C -0.154 175.766 175.900 0.033 0.000 1.100 260 Y CA -1.210 56.901 58.100 0.018 0.000 1.140 260 Y CB 1.621 40.092 38.460 0.019 0.000 1.159 260 Y HN 0.845 nan 8.280 nan 0.000 0.436 261 G N 3.065 111.773 108.800 -0.153 0.000 2.416 261 G HA2 0.738 4.698 3.960 -0.001 0.000 0.329 261 G HA3 0.738 4.698 3.960 -0.001 0.000 0.329 261 G C -1.572 173.131 174.900 -0.328 0.000 1.173 261 G CA -0.602 44.341 45.100 -0.263 0.000 0.929 261 G HN 1.193 nan 8.290 nan 0.000 0.475 262 A N 1.558 124.200 122.820 -0.297 0.000 2.530 262 A HA 0.780 5.100 4.320 -0.001 0.000 0.279 262 A C 0.018 177.592 177.584 -0.016 0.000 1.109 262 A CA -0.072 51.933 52.037 -0.054 0.000 0.763 262 A CB 0.976 19.927 19.000 -0.082 0.000 1.257 262 A HN 1.457 nan 8.150 nan 0.000 0.424 263 T N -1.421 113.168 114.554 0.058 0.000 2.773 263 T HA 0.867 5.216 4.350 -0.001 0.000 0.278 263 T C -0.161 174.568 174.700 0.049 0.000 1.011 263 T CA -0.536 61.579 62.100 0.025 0.000 1.014 263 T CB 1.838 70.709 68.868 0.006 0.000 1.293 263 T HN 1.244 nan 8.240 nan 0.000 0.554 264 S N -0.941 114.770 115.700 0.018 0.000 2.547 264 S HA 0.444 4.913 4.470 -0.001 0.000 0.281 264 S C -0.169 174.434 174.600 0.004 0.000 1.118 264 S CA -0.627 57.586 58.200 0.021 0.000 0.947 264 S CB 1.587 64.792 63.200 0.008 0.000 1.053 264 S HN 0.704 nan 8.310 nan 0.000 0.482 265 D N 2.887 123.291 120.400 0.006 0.000 2.137 265 D HA 0.146 4.786 4.640 -0.001 0.000 0.202 265 D C 1.518 177.814 176.300 -0.006 0.000 0.970 265 D CA 1.520 55.514 54.000 -0.009 0.000 0.837 265 D CB -0.497 40.297 40.800 -0.010 0.000 0.981 265 D HN 1.037 nan 8.370 nan 0.000 0.475 266 G N 0.124 108.925 108.800 0.002 0.000 2.305 266 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.287 266 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.287 266 G C 0.671 175.570 174.900 -0.003 0.000 1.036 266 G CA 0.954 46.054 45.100 -0.000 0.000 0.887 266 G HN 0.611 nan 8.290 nan 0.000 0.505 267 A N -0.857 121.962 122.820 -0.001 0.000 1.857 267 A HA 0.686 5.006 4.320 -0.001 0.000 0.192 267 A C 0.448 178.030 177.584 -0.003 0.000 2.203 267 A CA 1.126 53.160 52.037 -0.004 0.000 1.377 267 A CB 0.421 19.417 19.000 -0.008 0.000 0.976 267 A HN 0.567 nan 8.150 nan 0.000 0.594 268 D N -0.086 120.313 120.400 -0.001 0.000 2.362 268 D HA 0.518 5.157 4.640 -0.001 0.000 0.247 268 D C -0.060 176.237 176.300 -0.006 0.000 1.050 268 D CA -0.438 53.558 54.000 -0.007 0.000 0.839 268 D CB 0.713 41.508 40.800 -0.008 0.000 1.283 268 D HN 0.161 nan 8.370 nan 0.000 0.477 269 M N 2.840 122.424 119.600 -0.027 0.000 2.198 269 M HA 0.088 4.568 4.480 -0.001 0.000 0.315 269 M C 1.636 177.862 176.300 -0.124 0.000 1.134 269 M CA -0.090 55.181 55.300 -0.047 0.000 1.171 269 M CB 0.985 33.545 32.600 -0.068 0.000 1.413 269 M HN 0.714 nan 8.290 nan 0.000 0.467 270 V N -1.900 117.859 119.914 -0.258 0.000 1.680 270 V HA -0.300 3.819 4.120 -0.001 0.000 0.047 270 V C 0.066 176.095 176.094 -0.108 0.000 0.474 270 V CA 1.534 63.474 62.300 -0.599 0.000 1.480 270 V CB -2.748 28.572 31.823 -0.839 0.000 1.743 270 V HN 1.122 nan 8.190 nan 0.000 0.780 271 A N 0.632 123.457 122.820 0.009 0.000 2.359 271 A HA 0.873 5.192 4.320 -0.001 0.000 0.303 271 A C -2.384 175.241 177.584 0.068 0.000 1.066 271 A CA -1.314 50.764 52.037 0.069 0.000 0.730 271 A CB 1.535 20.553 19.000 0.030 0.000 1.211 271 A HN 0.463 nan 8.150 nan 0.000 0.439 272 P HA 0.127 nan 4.420 nan 0.000 0.276 272 P C 0.692 177.976 177.300 -0.027 0.000 1.235 272 P CA 0.043 63.143 63.100 -0.001 0.000 0.772 272 P CB 1.434 33.118 31.700 -0.027 0.000 0.871 273 S N 1.938 117.605 115.700 -0.054 0.000 2.478 273 S HA 0.153 4.623 4.470 -0.001 0.000 0.222 273 S C 1.682 176.245 174.600 -0.061 0.000 1.008 273 S CA 0.721 58.894 58.200 -0.044 0.000 0.928 273 S CB -0.895 62.282 63.200 -0.038 0.000 0.781 273 S HN 0.697 nan 8.310 nan 0.000 0.518 274 G N 1.774 110.507 108.800 -0.111 0.000 2.363 274 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.238 274 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.238 274 G C 0.929 175.775 174.900 -0.090 0.000 1.062 274 G CA 0.577 45.612 45.100 -0.109 0.000 0.629 274 G HN 0.471 nan 8.290 nan 0.000 0.514 275 E N 1.540 121.700 120.200 -0.067 0.000 2.072 275 E HA -0.050 4.300 4.350 -0.001 0.000 0.191 275 E C 2.664 179.230 176.600 -0.057 0.000 0.985 275 E CA 2.090 58.460 56.400 -0.050 0.000 0.801 275 E CB -0.927 28.750 29.700 -0.037 0.000 0.750 275 E HN 0.614 nan 8.360 nan 0.000 0.452 276 G N 0.654 109.410 108.800 -0.072 0.000 2.422 276 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.218 276 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.218 276 G C 1.705 176.564 174.900 -0.069 0.000 1.140 276 G CA 1.090 46.152 45.100 -0.063 0.000 0.775 276 G HN 0.410 nan 8.290 nan 0.000 0.545 277 A N 0.187 122.919 122.820 -0.147 0.000 1.930 277 A HA 0.125 4.444 4.320 -0.001 0.000 0.217 277 A C 2.573 180.158 177.584 0.001 0.000 1.175 277 A CA 1.612 53.575 52.037 -0.123 0.000 0.627 277 A CB -0.490 18.283 19.000 -0.378 0.000 0.815 277 A HN 0.227 nan 8.150 nan 0.000 0.443 278 V N 0.073 119.971 119.914 -0.025 0.000 2.295 278 V HA -0.278 3.842 4.120 -0.001 0.000 0.246 278 V C 2.649 178.732 176.094 -0.018 0.000 1.049 278 V CA 2.295 64.588 62.300 -0.012 0.000 1.024 278 V CB -0.787 31.021 31.823 -0.025 0.000 0.648 278 V HN 0.533 nan 8.190 nan 0.000 0.447 279 R N -1.098 119.388 120.500 -0.023 0.000 2.092 279 R HA -0.174 4.166 4.340 -0.001 0.000 0.231 279 R C 2.411 178.700 176.300 -0.017 0.000 1.119 279 R CA 1.640 57.723 56.100 -0.028 0.000 0.970 279 R CB -0.900 29.381 30.300 -0.032 0.000 0.864 279 R HN 0.556 nan 8.270 nan 0.000 0.440 280 C N 0.834 120.140 119.300 0.010 0.000 2.432 280 C HA -0.094 4.366 4.460 -0.001 0.000 0.277 280 C C 2.620 177.632 174.990 0.036 0.000 1.249 280 C CA 0.953 59.990 59.018 0.033 0.000 1.725 280 C CB -0.677 27.131 27.740 0.112 0.000 2.028 280 C HN 0.462 nan 8.230 nan 0.000 0.477 281 M N -0.121 119.515 119.600 0.061 0.000 2.132 281 M HA -0.145 4.334 4.480 -0.001 0.000 0.263 281 M C 2.261 178.556 176.300 -0.008 0.000 1.065 281 M CA 1.829 57.162 55.300 0.056 0.000 1.122 281 M CB -0.433 32.222 32.600 0.092 0.000 1.365 281 M HN 0.328 nan 8.290 nan 0.000 0.411 282 K N 0.086 120.461 120.400 -0.041 0.000 2.063 282 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 282 K C 1.955 178.549 176.600 -0.009 0.000 1.048 282 K CA 1.509 57.761 56.287 -0.058 0.000 0.928 282 K CB -0.181 32.283 32.500 -0.058 0.000 0.713 282 K HN 0.299 nan 8.250 nan 0.000 0.442 283 M N -0.029 119.562 119.600 -0.015 0.000 2.159 283 M HA -0.141 4.338 4.480 -0.001 0.000 0.263 283 M C 1.931 178.241 176.300 0.017 0.000 1.063 283 M CA 1.725 57.014 55.300 -0.019 0.000 1.110 283 M CB -0.002 32.558 32.600 -0.067 0.000 1.374 283 M HN 0.177 nan 8.290 nan 0.000 0.411 284 A N 0.163 122.993 122.820 0.017 0.000 2.014 284 A HA -0.065 4.255 4.320 -0.001 0.000 0.218 284 A C 1.934 179.552 177.584 0.057 0.000 1.163 284 A CA 1.095 53.160 52.037 0.047 0.000 0.652 284 A CB -0.434 18.602 19.000 0.060 0.000 0.808 284 A HN 0.595 nan 8.150 nan 0.000 0.449 285 M N -0.755 118.868 119.600 0.039 0.000 2.514 285 M HA 0.036 4.516 4.480 -0.001 0.000 0.258 285 M C 0.644 176.959 176.300 0.024 0.000 1.119 285 M CA 0.352 55.663 55.300 0.018 0.000 1.111 285 M CB -0.749 31.823 32.600 -0.046 0.000 1.390 285 M HN 0.460 nan 8.290 nan 0.000 0.475 286 H N 1.125 120.178 119.070 -0.029 0.000 3.107 286 H HA 0.110 4.665 4.556 -0.000 0.000 0.301 286 H C 1.096 176.418 175.328 -0.011 0.000 0.981 286 H CA 1.878 57.911 56.048 -0.025 0.000 1.443 286 H CB 0.452 30.197 29.762 -0.028 0.000 1.479 286 H HN 0.585 nan 8.280 nan 0.000 0.564 287 G N 3.867 112.447 108.800 -0.366 0.000 2.284 287 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.230 287 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.230 287 G C 0.202 175.044 174.900 -0.097 0.000 1.021 287 G CA 0.110 45.087 45.100 -0.206 0.000 0.619 287 G HN 0.621 nan 8.290 nan 0.000 0.510 288 V N 3.312 123.191 119.914 -0.058 0.000 2.421 288 V HA 0.334 4.454 4.120 -0.001 0.000 0.271 288 V C 1.286 177.362 176.094 -0.030 0.000 1.031 288 V CA 0.801 63.088 62.300 -0.022 0.000 1.032 288 V CB 1.089 32.917 31.823 0.009 0.000 1.009 288 V HN 0.559 nan 8.190 nan 0.000 0.477 289 D N 2.376 122.761 120.400 -0.025 0.000 2.340 289 D HA -0.020 4.620 4.640 -0.001 0.000 0.220 289 D C 0.854 177.152 176.300 -0.003 0.000 1.039 289 D CA 0.212 54.199 54.000 -0.023 0.000 0.866 289 D CB -0.079 40.706 40.800 -0.024 0.000 0.913 289 D HN 0.605 nan 8.370 nan 0.000 0.523 290 T N -2.036 112.523 114.554 0.010 0.000 2.895 290 T HA 0.595 4.945 4.350 -0.001 0.000 0.283 290 T C -2.702 172.025 174.700 0.046 0.000 1.014 290 T CA -1.862 60.252 62.100 0.023 0.000 1.037 290 T CB 2.170 71.051 68.868 0.022 0.000 1.006 290 T HN -0.165 nan 8.240 nan 0.000 0.468 291 P HA 0.344 nan 4.420 nan 0.000 0.277 291 P C -0.437 176.919 177.300 0.094 0.000 1.240 291 P CA -0.773 62.384 63.100 0.095 0.000 0.798 291 P CB 0.515 32.264 31.700 0.081 0.000 0.979 292 I N 3.281 123.937 120.570 0.144 0.000 2.505 292 I HA -0.025 4.144 4.170 -0.001 0.000 0.287 292 I C 1.381 177.495 176.117 -0.006 0.000 1.104 292 I CA 0.471 61.813 61.300 0.070 0.000 1.387 292 I CB -0.407 37.633 38.000 0.067 0.000 1.404 292 I HN 0.339 nan 8.210 nan 0.000 0.528 293 D N 5.333 125.745 120.400 0.020 0.000 2.213 293 D HA -0.091 4.548 4.640 -0.001 0.000 0.205 293 D C 0.079 176.419 176.300 0.066 0.000 0.961 293 D CA 1.250 55.268 54.000 0.030 0.000 0.853 293 D CB 0.388 41.216 40.800 0.047 0.000 0.967 293 D HN 0.524 nan 8.370 nan 0.000 0.496 294 Y N 0.297 120.548 120.300 -0.082 0.000 2.479 294 Y HA 0.453 5.003 4.550 -0.001 0.000 0.338 294 Y C -2.008 173.836 175.900 -0.092 0.000 1.055 294 Y CA -1.085 56.959 58.100 -0.094 0.000 1.023 294 Y CB 1.373 39.779 38.460 -0.090 0.000 1.287 294 Y HN -0.245 nan 8.280 nan 0.000 0.447 295 L N 7.245 127.870 121.223 -0.996 0.000 2.342 295 L HA 0.477 4.816 4.340 -0.001 0.000 0.276 295 L C -0.971 175.310 176.870 -0.981 0.000 0.997 295 L CA -0.477 53.902 54.840 -0.767 0.000 0.838 295 L CB 0.785 42.576 42.059 -0.447 0.000 1.224 295 L HN 0.792 nan 8.230 nan 0.000 0.416 296 N N 3.610 121.889 118.700 -0.701 0.000 2.439 296 N HA 0.101 4.840 4.740 -0.001 0.000 0.243 296 N C -0.290 175.125 175.510 -0.158 0.000 1.088 296 N CA -0.202 52.666 53.050 -0.305 0.000 0.940 296 N CB 0.936 39.422 38.487 -0.002 0.000 1.180 296 N HN 0.714 nan 8.380 nan 0.000 0.505 297 S N 2.665 118.311 115.700 -0.090 0.000 2.600 297 S HA -0.002 4.467 4.470 -0.001 0.000 0.265 297 S C 1.239 175.824 174.600 -0.025 0.000 1.325 297 S CA -0.226 57.970 58.200 -0.006 0.000 1.002 297 S CB 1.218 64.498 63.200 0.133 0.000 0.921 297 S HN 0.717 nan 8.310 nan 0.000 0.554 298 H N 1.900 120.883 119.070 -0.144 0.000 2.428 298 H HA 0.180 4.736 4.556 -0.001 0.000 0.296 298 H C 1.578 176.802 175.328 -0.174 0.000 1.062 298 H CA 0.876 56.782 56.048 -0.237 0.000 1.350 298 H CB -1.025 28.546 29.762 -0.319 0.000 1.403 298 H HN 0.989 nan 8.280 nan 0.000 0.533 299 G N 1.192 109.937 108.800 -0.092 0.000 2.629 299 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.334 299 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.334 299 G C 1.102 175.779 174.900 -0.371 0.000 0.208 299 G CA 1.010 45.971 45.100 -0.233 0.000 1.166 299 G HN 0.709 nan 8.290 nan 0.000 0.475 300 T N -1.214 113.125 114.554 -0.358 0.000 3.113 300 T HA 0.307 4.657 4.350 -0.001 0.000 0.256 300 T C 1.369 176.024 174.700 -0.075 0.000 1.131 300 T CA 0.984 62.893 62.100 -0.318 0.000 1.074 300 T CB 0.226 68.909 68.868 -0.309 0.000 0.944 300 T HN 1.655 nan 8.240 nan 0.000 0.516 301 S N 0.672 116.310 115.700 -0.102 0.000 3.619 301 S HA -0.125 4.345 4.470 -0.001 0.000 0.287 301 S C 0.189 174.823 174.600 0.057 0.000 1.222 301 S CA 0.555 58.723 58.200 -0.053 0.000 0.821 301 S CB -2.148 61.033 63.200 -0.032 0.000 0.985 301 S HN 1.243 nan 8.310 nan 0.000 0.611 302 T N -0.915 113.694 114.554 0.092 0.000 2.859 302 T HA 0.686 5.035 4.350 -0.001 0.000 0.281 302 T C -1.420 173.349 174.700 0.115 0.000 1.005 302 T CA -1.614 60.573 62.100 0.145 0.000 1.025 302 T CB 1.650 70.653 68.868 0.226 0.000 0.977 302 T HN -0.065 nan 8.240 nan 0.000 0.458 303 P HA -0.157 nan 4.420 nan 0.000 0.214 303 P C 1.677 179.035 177.300 0.098 0.000 1.169 303 P CA 0.773 63.929 63.100 0.093 0.000 0.908 303 P CB -0.069 31.682 31.700 0.085 0.000 0.791 304 V N -0.503 119.476 119.914 0.109 0.000 2.346 304 V HA -0.091 4.029 4.120 -0.001 0.000 0.244 304 V C 2.616 178.784 176.094 0.123 0.000 1.037 304 V CA 2.376 64.739 62.300 0.105 0.000 1.029 304 V CB -1.921 29.963 31.823 0.101 0.000 0.663 304 V HN 0.177 nan 8.190 nan 0.000 0.454 305 G N 0.024 108.917 108.800 0.157 0.000 2.491 305 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.218 305 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.218 305 G C 1.188 176.197 174.900 0.182 0.000 1.180 305 G CA 1.325 46.536 45.100 0.185 0.000 0.774 305 G HN 0.491 nan 8.290 nan 0.000 0.562 306 D N 0.035 120.529 120.400 0.155 0.000 2.127 306 D HA -0.172 4.468 4.640 -0.001 0.000 0.190 306 D C 2.879 179.338 176.300 0.264 0.000 1.000 306 D CA 2.148 56.262 54.000 0.190 0.000 0.839 306 D CB -0.772 40.100 40.800 0.120 0.000 0.955 306 D HN 0.356 nan 8.370 nan 0.000 0.446 307 V N -1.176 118.852 119.914 0.189 0.000 2.667 307 V HA -0.075 4.044 4.120 -0.001 0.000 0.252 307 V C 2.082 178.239 176.094 0.104 0.000 1.065 307 V CA 1.319 63.703 62.300 0.140 0.000 1.083 307 V CB -0.430 31.452 31.823 0.098 0.000 0.692 307 V HN -0.070 nan 8.190 nan 0.000 0.468 308 K N 1.209 121.669 120.400 0.101 0.000 2.057 308 K HA -0.174 4.146 4.320 -0.001 0.000 0.207 308 K C 2.288 178.919 176.600 0.052 0.000 1.049 308 K CA 2.069 58.391 56.287 0.059 0.000 0.931 308 K CB -0.378 32.148 32.500 0.044 0.000 0.714 308 K HN 0.785 nan 8.250 nan 0.000 0.440 309 E N -0.077 120.190 120.200 0.111 0.000 2.152 309 E HA -0.130 4.220 4.350 -0.001 0.000 0.192 309 E C 1.835 178.520 176.600 0.142 0.000 0.983 309 E CA 0.533 57.024 56.400 0.151 0.000 0.818 309 E CB 0.022 29.927 29.700 0.342 0.000 0.758 309 E HN 0.248 nan 8.360 nan 0.000 0.467 310 L N 0.522 121.822 121.223 0.128 0.000 2.093 310 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 310 L C 2.629 179.527 176.870 0.046 0.000 1.085 310 L CA 1.195 56.072 54.840 0.062 0.000 0.755 310 L CB -0.515 41.558 42.059 0.023 0.000 0.904 310 L HN 0.276 nan 8.230 nan 0.000 0.435 311 A N -0.230 122.619 122.820 0.048 0.000 1.930 311 A HA -0.120 4.200 4.320 -0.001 0.000 0.217 311 A C 2.495 180.103 177.584 0.040 0.000 1.175 311 A CA 1.507 53.565 52.037 0.034 0.000 0.627 311 A CB -0.514 18.502 19.000 0.026 0.000 0.815 311 A HN 0.420 nan 8.150 nan 0.000 0.443 312 A N 0.076 122.923 122.820 0.045 0.000 1.877 312 A HA -0.097 4.223 4.320 -0.001 0.000 0.216 312 A C 2.112 179.754 177.584 0.096 0.000 1.186 312 A CA 1.541 53.606 52.037 0.046 0.000 0.620 312 A CB -0.635 18.380 19.000 0.026 0.000 0.822 312 A HN 0.478 nan 8.150 nan 0.000 0.443 313 I N -1.046 119.605 120.570 0.135 0.000 2.208 313 I HA -0.298 3.872 4.170 -0.001 0.000 0.245 313 I C 2.807 179.060 176.117 0.227 0.000 1.097 313 I CA 1.505 62.936 61.300 0.218 0.000 1.363 313 I CB -0.307 37.772 38.000 0.131 0.000 1.051 313 I HN 0.310 nan 8.210 nan 0.000 0.413 314 R N 0.416 120.986 120.500 0.117 0.000 2.097 314 R HA -0.258 4.082 4.340 -0.001 0.000 0.236 314 R C 2.313 178.670 176.300 0.094 0.000 1.135 314 R CA 2.153 58.309 56.100 0.092 0.000 0.934 314 R CB -0.374 29.953 30.300 0.045 0.000 0.846 314 R HN 0.366 nan 8.270 nan 0.000 0.431 315 E N -0.048 120.189 120.200 0.061 0.000 2.070 315 E HA -0.205 4.145 4.350 -0.001 0.000 0.197 315 E C 1.900 178.503 176.600 0.004 0.000 1.004 315 E CA 1.682 58.099 56.400 0.028 0.000 0.805 315 E CB 0.082 29.789 29.700 0.012 0.000 0.744 315 E HN 0.116 nan 8.360 nan 0.000 0.451 316 V N -0.024 119.891 119.914 0.001 0.000 2.295 316 V HA -0.232 3.888 4.120 -0.001 0.000 0.246 316 V C 1.755 177.658 176.094 -0.318 0.000 1.049 316 V CA 1.808 64.010 62.300 -0.163 0.000 1.024 316 V CB -0.423 31.281 31.823 -0.198 0.000 0.648 316 V HN 0.301 nan 8.190 nan 0.000 0.447 317 F N -0.366 119.583 119.950 -0.001 0.000 2.749 317 F HA 0.460 4.987 4.527 -0.001 0.000 0.300 317 F C 1.845 177.642 175.800 -0.005 0.000 1.103 317 F CA 0.502 58.500 58.000 -0.004 0.000 1.342 317 F CB -0.469 38.526 39.000 -0.009 0.000 1.098 317 F HN 0.252 nan 8.300 nan 0.000 0.586 318 G N 0.826 109.699 108.800 0.122 0.000 2.665 318 G HA2 -0.405 3.555 3.960 -0.001 0.000 0.326 318 G HA3 -0.405 3.555 3.960 -0.001 0.000 0.326 318 G C 0.837 175.785 174.900 0.079 0.000 1.231 318 G CA 0.971 46.114 45.100 0.073 0.000 0.992 318 G HN 0.272 nan 8.290 nan 0.000 0.549 319 D N 1.327 121.764 120.400 0.061 0.000 2.328 319 D HA 0.181 4.820 4.640 -0.001 0.000 0.221 319 D C 1.017 177.351 176.300 0.056 0.000 1.072 319 D CA 0.449 54.478 54.000 0.048 0.000 0.850 319 D CB 0.253 41.071 40.800 0.031 0.000 0.922 319 D HN 0.365 nan 8.370 nan 0.000 0.516 320 K N 0.986 121.444 120.400 0.097 0.000 2.954 320 K HA 0.159 4.478 4.320 -0.001 0.000 0.171 320 K C -0.693 175.982 176.600 0.125 0.000 1.079 320 K CA -0.276 56.071 56.287 0.100 0.000 0.908 320 K CB 0.521 33.091 32.500 0.116 0.000 1.142 320 K HN -0.110 nan 8.250 nan 0.000 0.613 321 S N 1.345 117.060 115.700 0.026 0.000 2.562 321 S HA 0.504 4.974 4.470 -0.001 0.000 0.275 321 S C -1.973 172.491 174.600 -0.226 0.000 1.281 321 S CA -1.173 56.950 58.200 -0.128 0.000 1.045 321 S CB 0.949 64.094 63.200 -0.092 0.000 0.962 321 S HN 0.302 nan 8.310 nan 0.000 0.503 322 P HA 0.459 nan 4.420 nan 0.000 0.279 322 P C -0.760 176.415 177.300 -0.209 0.000 1.276 322 P CA -0.749 62.165 63.100 -0.311 0.000 0.801 322 P CB 0.434 31.864 31.700 -0.450 0.000 1.127 323 A N 0.931 123.691 122.820 -0.099 0.000 2.477 323 A HA 0.452 4.771 4.320 -0.001 0.000 0.246 323 A C 0.234 177.782 177.584 -0.061 0.000 1.078 323 A CA -0.059 51.969 52.037 -0.015 0.000 0.770 323 A CB -0.799 18.261 19.000 0.100 0.000 1.011 323 A HN 0.450 nan 8.150 nan 0.000 0.494 324 I N 1.451 121.990 120.570 -0.053 0.000 2.785 324 I HA 0.616 4.785 4.170 -0.001 0.000 0.302 324 I C 0.093 176.256 176.117 0.076 0.000 1.069 324 I CA -0.347 60.892 61.300 -0.102 0.000 1.045 324 I CB 2.522 40.435 38.000 -0.145 0.000 1.236 324 I HN 0.748 nan 8.210 nan 0.000 0.429 325 S N 3.411 119.187 115.700 0.126 0.000 2.548 325 S HA 0.749 5.219 4.470 -0.001 0.000 0.278 325 S C -1.173 173.542 174.600 0.191 0.000 1.150 325 S CA -0.726 57.613 58.200 0.233 0.000 0.907 325 S CB 1.709 65.087 63.200 0.297 0.000 1.108 325 S HN 0.839 nan 8.310 nan 0.000 0.459 326 A N 2.991 125.909 122.820 0.162 0.000 2.444 326 A HA 0.570 4.890 4.320 -0.001 0.000 0.332 326 A C 1.256 178.834 177.584 -0.009 0.000 1.430 326 A CA -0.138 51.911 52.037 0.019 0.000 0.975 326 A CB -0.400 18.496 19.000 -0.172 0.000 1.147 326 A HN 1.450 nan 8.150 nan 0.000 0.524 327 T N -0.155 114.412 114.554 0.022 0.000 3.098 327 T HA -0.076 4.273 4.350 -0.001 0.000 0.266 327 T C 1.337 176.004 174.700 -0.054 0.000 1.145 327 T CA 1.187 63.278 62.100 -0.015 0.000 1.092 327 T CB -0.261 68.608 68.868 0.002 0.000 0.908 327 T HN 0.624 nan 8.240 nan 0.000 0.526 328 K N 0.918 121.269 120.400 -0.082 0.000 2.283 328 K HA 0.207 4.527 4.320 -0.001 0.000 0.202 328 K C 2.565 179.114 176.600 -0.085 0.000 1.048 328 K CA 0.793 57.015 56.287 -0.108 0.000 0.948 328 K CB -0.296 32.073 32.500 -0.218 0.000 0.742 328 K HN 0.473 nan 8.250 nan 0.000 0.458 329 A N 0.650 123.414 122.820 -0.093 0.000 2.070 329 A HA -0.124 4.195 4.320 -0.001 0.000 0.220 329 A C 1.925 179.477 177.584 -0.054 0.000 1.159 329 A CA 1.296 53.287 52.037 -0.078 0.000 0.656 329 A CB -0.204 18.749 19.000 -0.078 0.000 0.800 329 A HN 0.205 nan 8.150 nan 0.000 0.453 330 M N -1.661 117.904 119.600 -0.058 0.000 2.556 330 M HA -0.032 4.448 4.480 -0.001 0.000 0.259 330 M C 2.411 178.682 176.300 -0.048 0.000 1.175 330 M CA 1.630 56.895 55.300 -0.059 0.000 1.202 330 M CB 0.098 32.643 32.600 -0.093 0.000 1.298 330 M HN 0.565 nan 8.290 nan 0.000 0.492 331 T N -1.941 112.580 114.554 -0.055 0.000 3.054 331 T HA 0.376 4.726 4.350 -0.001 0.000 0.259 331 T C 1.020 175.729 174.700 0.014 0.000 1.092 331 T CA 0.618 62.705 62.100 -0.021 0.000 1.121 331 T CB -0.130 68.743 68.868 0.010 0.000 0.912 331 T HN 0.577 nan 8.240 nan 0.000 0.489 332 G N 0.847 109.656 108.800 0.014 0.000 2.728 332 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.294 332 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.294 332 G C -0.966 173.965 174.900 0.051 0.000 1.342 332 G CA -0.331 44.806 45.100 0.061 0.000 0.866 332 G HN 0.777 nan 8.290 nan 0.000 0.534 333 H N 0.836 119.882 119.070 -0.039 0.000 2.661 333 H HA 0.598 5.153 4.556 -0.001 0.000 0.290 333 H C 1.608 176.834 175.328 -0.170 0.000 1.082 333 H CA -0.005 55.919 56.048 -0.207 0.000 1.234 333 H CB 0.678 30.112 29.762 -0.547 0.000 1.387 333 H HN 0.821 nan 8.280 nan 0.000 0.476 334 S N 4.676 120.464 115.700 0.145 0.000 2.754 334 S HA 0.093 4.562 4.470 -0.001 0.000 0.223 334 S C 1.368 175.956 174.600 -0.021 0.000 0.951 334 S CA 0.093 58.308 58.200 0.025 0.000 0.954 334 S CB -0.577 62.624 63.200 0.001 0.000 0.780 334 S HN 0.716 nan 8.310 nan 0.000 0.509 335 L N -0.149 121.007 121.223 -0.112 0.000 4.782 335 L HA -0.347 3.992 4.340 -0.001 0.000 0.053 335 L C 2.244 179.097 176.870 -0.029 0.000 3.426 335 L CA 1.480 56.151 54.840 -0.281 0.000 1.357 335 L CB -2.105 39.777 42.059 -0.295 0.000 3.081 335 L HN 0.424 nan 8.230 nan 0.000 0.912 336 G N -1.106 107.683 108.800 -0.018 0.000 2.470 336 G HA2 0.079 4.039 3.960 -0.001 0.000 0.220 336 G HA3 0.079 4.039 3.960 -0.001 0.000 0.220 336 G C 1.252 176.160 174.900 0.014 0.000 1.121 336 G CA 1.215 46.326 45.100 0.018 0.000 0.766 336 G HN 0.849 nan 8.290 nan 0.000 0.553 337 A N 0.299 123.124 122.820 0.008 0.000 2.238 337 A HA 0.657 4.977 4.320 -0.001 0.000 0.210 337 A C 2.532 180.088 177.584 -0.047 0.000 1.179 337 A CA 1.246 53.275 52.037 -0.014 0.000 0.827 337 A CB -0.196 18.801 19.000 -0.004 0.000 0.856 337 A HN 0.503 nan 8.150 nan 0.000 0.488 338 A N 0.221 123.031 122.820 -0.016 0.000 1.883 338 A HA 0.050 4.370 4.320 -0.001 0.000 0.217 338 A C 2.357 179.874 177.584 -0.113 0.000 1.186 338 A CA 2.006 54.015 52.037 -0.046 0.000 0.624 338 A CB -1.357 17.651 19.000 0.013 0.000 0.822 338 A HN 0.696 nan 8.150 nan 0.000 0.444 339 G N -0.918 107.825 108.800 -0.096 0.000 2.459 339 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.217 339 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.217 339 G C 1.661 176.460 174.900 -0.167 0.000 1.183 339 G CA 1.389 46.408 45.100 -0.136 0.000 0.776 339 G HN 0.643 nan 8.290 nan 0.000 0.552 340 V N 0.089 119.910 119.914 -0.155 0.000 2.453 340 V HA -0.107 4.013 4.120 -0.001 0.000 0.247 340 V C 2.710 178.646 176.094 -0.264 0.000 1.048 340 V CA 2.453 64.646 62.300 -0.177 0.000 1.049 340 V CB -0.213 31.533 31.823 -0.129 0.000 0.672 340 V HN 0.511 nan 8.190 nan 0.000 0.457 341 Q N -0.479 119.130 119.800 -0.319 0.000 2.079 341 Q HA -0.223 4.117 4.340 -0.001 0.000 0.200 341 Q C 2.164 177.542 176.000 -1.037 0.000 0.974 341 Q CA 2.007 57.468 55.803 -0.570 0.000 0.840 341 Q CB -0.105 28.369 28.738 -0.440 0.000 0.898 341 Q HN 0.706 nan 8.270 nan 0.000 0.430 342 E N 0.327 120.134 120.200 -0.656 0.000 2.208 342 E HA -0.103 4.246 4.350 -0.001 0.000 0.193 342 E C 1.809 178.251 176.600 -0.263 0.000 0.988 342 E CA 0.676 56.810 56.400 -0.444 0.000 0.828 342 E CB 0.026 29.634 29.700 -0.154 0.000 0.763 342 E HN 0.320 nan 8.360 nan 0.000 0.478 343 A N 0.849 123.514 122.820 -0.259 0.000 1.930 343 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 343 A C 2.097 179.574 177.584 -0.179 0.000 1.175 343 A CA 0.832 52.766 52.037 -0.172 0.000 0.627 343 A CB -0.365 18.533 19.000 -0.169 0.000 0.815 343 A HN 0.143 nan 8.150 nan 0.000 0.443 344 I N -1.389 119.017 120.570 -0.272 0.000 2.315 344 I HA -0.234 3.936 4.170 -0.001 0.000 0.248 344 I C 2.195 178.274 176.117 -0.064 0.000 1.117 344 I CA 1.052 62.219 61.300 -0.222 0.000 1.404 344 I CB -0.342 37.506 38.000 -0.255 0.000 1.071 344 I HN 0.361 nan 8.210 nan 0.000 0.419 345 Y N 0.624 120.898 120.300 -0.043 0.000 2.224 345 Y HA -0.174 4.375 4.550 -0.001 0.000 0.289 345 Y C 2.925 178.793 175.900 -0.052 0.000 1.146 345 Y CA 0.636 58.720 58.100 -0.026 0.000 1.182 345 Y CB -1.328 37.123 38.460 -0.015 0.000 0.983 345 Y HN 0.094 nan 8.280 nan 0.000 0.524 346 S N -0.180 115.586 115.700 0.111 0.000 2.368 346 S HA -0.121 4.349 4.470 -0.001 0.000 0.224 346 S C 2.036 176.642 174.600 0.010 0.000 1.029 346 S CA 0.918 59.164 58.200 0.077 0.000 0.988 346 S CB -0.464 62.789 63.200 0.088 0.000 0.838 346 S HN 0.175 nan 8.310 nan 0.000 0.462 347 L N 1.547 122.764 121.223 -0.011 0.000 2.083 347 L HA 0.040 4.380 4.340 -0.001 0.000 0.209 347 L C 2.053 178.964 176.870 0.069 0.000 1.083 347 L CA 1.433 56.264 54.840 -0.015 0.000 0.752 347 L CB -1.245 40.721 42.059 -0.155 0.000 0.899 347 L HN 0.320 nan 8.230 nan 0.000 0.433 348 L N -1.986 119.300 121.223 0.106 0.000 2.141 348 L HA -0.204 4.136 4.340 -0.001 0.000 0.209 348 L C 2.463 179.483 176.870 0.249 0.000 1.094 348 L CA 0.977 55.990 54.840 0.288 0.000 0.763 348 L CB -0.316 41.925 42.059 0.304 0.000 0.908 348 L HN 0.264 nan 8.230 nan 0.000 0.437 349 M N -0.926 118.601 119.600 -0.121 0.000 2.200 349 M HA -0.191 4.289 4.480 -0.001 0.000 0.265 349 M C 2.265 178.432 176.300 -0.221 0.000 1.066 349 M CA 1.527 56.480 55.300 -0.578 0.000 1.127 349 M CB -0.095 31.989 32.600 -0.859 0.000 1.379 349 M HN 0.232 nan 8.290 nan 0.000 0.420 350 L N -0.151 121.022 121.223 -0.084 0.000 2.027 350 L HA -0.221 4.118 4.340 -0.001 0.000 0.206 350 L C 2.395 179.272 176.870 0.011 0.000 1.074 350 L CA 1.553 56.380 54.840 -0.021 0.000 0.745 350 L CB -0.278 41.790 42.059 0.014 0.000 0.898 350 L HN 0.282 nan 8.230 nan 0.000 0.433 351 E N -0.630 119.594 120.200 0.040 0.000 2.072 351 E HA -0.221 4.129 4.350 -0.001 0.000 0.191 351 E C 1.808 178.276 176.600 -0.221 0.000 0.985 351 E CA 1.369 57.727 56.400 -0.070 0.000 0.801 351 E CB 0.059 29.735 29.700 -0.041 0.000 0.750 351 E HN 0.492 nan 8.360 nan 0.000 0.452 352 H N -1.146 118.037 119.070 0.188 0.000 2.529 352 H HA 0.273 4.829 4.556 -0.001 0.000 0.277 352 H C 0.449 175.926 175.328 0.249 0.000 1.004 352 H CA 0.481 56.664 56.048 0.224 0.000 1.167 352 H CB 0.457 30.397 29.762 0.297 0.000 1.445 352 H HN 0.275 nan 8.280 nan 0.000 0.554 353 G N 2.086 111.020 108.800 0.223 0.000 2.381 353 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.281 353 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.281 353 G C -0.313 174.739 174.900 0.254 0.000 0.984 353 G CA 0.726 45.918 45.100 0.153 0.000 1.339 353 G HN 0.542 nan 8.290 nan 0.000 0.485 354 F N -1.279 118.652 119.950 -0.031 0.000 2.744 354 F HA 0.749 5.275 4.527 -0.001 0.000 0.311 354 F C -1.091 174.608 175.800 -0.168 0.000 1.144 354 F CA -2.107 55.851 58.000 -0.070 0.000 0.938 354 F CB 0.984 39.957 39.000 -0.045 0.000 1.292 354 F HN 0.130 nan 8.300 nan 0.000 0.444 355 I N 2.955 123.386 120.570 -0.231 0.000 2.362 355 I HA 0.633 4.803 4.170 -0.001 0.000 0.289 355 I C 0.223 176.237 176.117 -0.172 0.000 0.994 355 I CA -1.032 59.985 61.300 -0.472 0.000 1.158 355 I CB 1.649 39.487 38.000 -0.270 0.000 1.315 355 I HN 0.971 nan 8.210 nan 0.000 0.451 356 A N 9.273 131.918 122.820 -0.292 0.000 2.445 356 A HA 0.470 4.789 4.320 -0.001 0.000 0.242 356 A C -2.336 175.264 177.584 0.028 0.000 1.075 356 A CA -0.976 51.073 52.037 0.019 0.000 0.777 356 A CB -0.368 18.620 19.000 -0.020 0.000 1.013 356 A HN 0.418 nan 8.150 nan 0.000 0.493 357 P HA 0.143 nan 4.420 nan 0.000 0.277 357 P C -0.375 176.958 177.300 0.055 0.000 1.240 357 P CA -0.239 62.893 63.100 0.052 0.000 0.798 357 P CB 1.130 32.852 31.700 0.037 0.000 0.979 358 S N 2.147 117.892 115.700 0.076 0.000 2.464 358 S HA 0.395 4.864 4.470 -0.001 0.000 0.313 358 S C 0.539 175.172 174.600 0.055 0.000 1.078 358 S CA -0.796 57.455 58.200 0.086 0.000 1.096 358 S CB -1.328 61.971 63.200 0.165 0.000 1.032 358 S HN 0.343 nan 8.310 nan 0.000 0.498 359 I N 1.895 122.477 120.570 0.019 0.000 2.970 359 I HA 0.522 4.691 4.170 -0.001 0.000 0.310 359 I C 0.394 176.506 176.117 -0.008 0.000 1.010 359 I CA -0.499 60.804 61.300 0.005 0.000 1.228 359 I CB 0.408 38.401 38.000 -0.011 0.000 1.433 359 I HN 0.506 nan 8.210 nan 0.000 0.573 360 N N 1.375 120.068 118.700 -0.012 0.000 2.850 360 N HA -0.166 4.573 4.740 -0.001 0.000 0.249 360 N C -0.495 175.009 175.510 -0.011 0.000 1.060 360 N CA 1.027 54.059 53.050 -0.030 0.000 0.825 360 N CB -1.527 36.916 38.487 -0.074 0.000 1.132 360 N HN 0.654 nan 8.380 nan 0.000 0.564 361 I N 1.342 121.925 120.570 0.023 0.000 2.224 361 I HA 0.047 4.216 4.170 -0.001 0.000 0.293 361 I C 1.376 177.523 176.117 0.050 0.000 1.155 361 I CA -0.067 61.263 61.300 0.049 0.000 1.297 361 I CB 0.134 38.182 38.000 0.080 0.000 1.487 361 I HN 0.028 nan 8.210 nan 0.000 0.564 362 E N 3.340 123.573 120.200 0.055 0.000 2.274 362 E HA -0.047 4.302 4.350 -0.001 0.000 0.194 362 E C 0.532 177.182 176.600 0.083 0.000 0.996 362 E CA 0.672 57.111 56.400 0.065 0.000 0.840 362 E CB 0.383 30.125 29.700 0.071 0.000 0.772 362 E HN 0.535 nan 8.360 nan 0.000 0.491 363 E N 0.926 121.183 120.200 0.095 0.000 2.378 363 E HA 0.126 4.476 4.350 -0.001 0.000 0.282 363 E C -1.576 175.058 176.600 0.057 0.000 0.910 363 E CA -0.497 55.955 56.400 0.085 0.000 0.816 363 E CB 1.153 30.933 29.700 0.133 0.000 1.359 363 E HN -0.059 nan 8.360 nan 0.000 0.397 364 L N 4.361 125.612 121.223 0.047 0.000 2.462 364 L HA 0.108 4.448 4.340 -0.001 0.000 0.272 364 L C 0.287 177.173 176.870 0.026 0.000 1.166 364 L CA 0.551 55.417 54.840 0.044 0.000 0.880 364 L CB 0.585 42.661 42.059 0.028 0.000 1.142 364 L HN 0.546 nan 8.230 nan 0.000 0.473 365 D N 3.562 123.985 120.400 0.039 0.000 2.488 365 D HA -0.103 4.537 4.640 -0.001 0.000 0.238 365 D C 0.949 177.255 176.300 0.011 0.000 1.138 365 D CA 0.540 54.553 54.000 0.022 0.000 0.873 365 D CB 0.926 41.762 40.800 0.059 0.000 1.183 365 D HN 0.829 nan 8.370 nan 0.000 0.458 366 E N 2.202 122.404 120.200 0.004 0.000 2.209 366 E HA -0.269 4.080 4.350 -0.001 0.000 0.196 366 E C 1.237 177.837 176.600 0.001 0.000 0.993 366 E CA 1.068 57.469 56.400 0.002 0.000 0.819 366 E CB -0.089 29.613 29.700 0.003 0.000 0.745 366 E HN 0.504 nan 8.360 nan 0.000 0.477 367 Q N -0.391 119.413 119.800 0.007 0.000 2.415 367 Q HA 0.167 4.507 4.340 -0.001 0.000 0.206 367 Q C 1.080 177.071 176.000 -0.016 0.000 0.946 367 Q CA 0.493 56.299 55.803 0.006 0.000 0.951 367 Q CB 0.391 29.144 28.738 0.024 0.000 1.026 367 Q HN 0.466 nan 8.270 nan 0.000 0.510 368 A N -0.969 121.831 122.820 -0.035 0.000 2.431 368 A HA 0.453 4.772 4.320 -0.001 0.000 0.239 368 A C 1.604 179.137 177.584 -0.085 0.000 1.230 368 A CA 0.571 52.548 52.037 -0.100 0.000 0.928 368 A CB 0.038 18.957 19.000 -0.135 0.000 1.006 368 A HN 0.362 nan 8.150 nan 0.000 0.520 369 A N 0.607 123.401 122.820 -0.044 0.000 2.654 369 A HA -0.124 4.195 4.320 -0.001 0.000 0.228 369 A C 2.039 179.600 177.584 -0.038 0.000 1.418 369 A CA 1.938 53.956 52.037 -0.032 0.000 1.034 369 A CB -1.677 17.312 19.000 -0.018 0.000 0.682 369 A HN 1.291 nan 8.150 nan 0.000 0.524 370 G N -0.713 108.068 108.800 -0.032 0.000 3.324 370 G HA2 0.393 4.352 3.960 -0.001 0.000 0.232 370 G HA3 0.393 4.352 3.960 -0.001 0.000 0.232 370 G C 0.022 174.896 174.900 -0.044 0.000 1.213 370 G CA -0.004 45.078 45.100 -0.030 0.000 1.637 370 G HN 0.376 nan 8.290 nan 0.000 0.572 371 L N -0.482 120.702 121.223 -0.065 0.000 2.342 371 L HA 0.331 4.670 4.340 -0.001 0.000 0.271 371 L C 0.366 177.189 176.870 -0.079 0.000 1.008 371 L CA -0.875 53.913 54.840 -0.088 0.000 0.818 371 L CB 2.174 44.147 42.059 -0.142 0.000 1.296 371 L HN 0.116 nan 8.230 nan 0.000 0.427 372 N N 3.261 121.917 118.700 -0.074 0.000 3.245 372 N HA 0.219 4.958 4.740 -0.001 0.000 0.296 372 N C -0.727 174.755 175.510 -0.048 0.000 1.254 372 N CA -0.358 52.662 53.050 -0.049 0.000 1.190 372 N CB 0.188 38.653 38.487 -0.037 0.000 1.460 372 N HN 0.504 nan 8.380 nan 0.000 0.538 373 I N 2.914 123.449 120.570 -0.058 0.000 2.294 373 I HA 0.011 4.180 4.170 -0.001 0.000 0.295 373 I C 0.606 176.737 176.117 0.023 0.000 1.098 373 I CA -0.480 60.799 61.300 -0.035 0.000 1.277 373 I CB 1.040 38.988 38.000 -0.087 0.000 1.434 373 I HN 0.136 nan 8.210 nan 0.000 0.498 374 V N 6.271 126.218 119.914 0.055 0.000 2.521 374 V HA 0.113 4.233 4.120 -0.001 0.000 0.286 374 V C 1.154 177.287 176.094 0.065 0.000 1.034 374 V CA 0.621 62.956 62.300 0.057 0.000 1.045 374 V CB 1.183 33.044 31.823 0.064 0.000 0.974 374 V HN 0.905 nan 8.190 nan 0.000 0.480 375 T N 2.109 116.692 114.554 0.048 0.000 3.054 375 T HA 0.449 4.799 4.350 -0.001 0.000 0.255 375 T C 0.170 174.891 174.700 0.035 0.000 1.035 375 T CA -0.065 62.063 62.100 0.046 0.000 0.941 375 T CB -0.090 68.802 68.868 0.041 0.000 1.026 375 T HN 0.740 nan 8.240 nan 0.000 0.533 376 E N 1.155 121.376 120.200 0.035 0.000 2.292 376 E HA 0.447 4.796 4.350 -0.001 0.000 0.272 376 E C -0.983 175.641 176.600 0.039 0.000 0.881 376 E CA -0.581 55.836 56.400 0.028 0.000 0.754 376 E CB 1.669 31.381 29.700 0.020 0.000 1.201 376 E HN 0.028 nan 8.360 nan 0.000 0.425 377 T N 1.928 116.506 114.554 0.040 0.000 2.866 377 T HA 0.131 4.480 4.350 -0.001 0.000 0.293 377 T C -0.050 174.691 174.700 0.068 0.000 1.005 377 T CA 0.554 62.699 62.100 0.076 0.000 1.162 377 T CB 0.152 69.036 68.868 0.028 0.000 0.968 377 T HN 0.352 nan 8.240 nan 0.000 0.530 378 T N 3.465 118.080 114.554 0.102 0.000 2.937 378 T HA 0.244 4.593 4.350 -0.001 0.000 0.297 378 T C -0.953 173.810 174.700 0.105 0.000 0.991 378 T CA -1.046 61.097 62.100 0.073 0.000 0.990 378 T CB 0.695 69.589 68.868 0.044 0.000 0.991 378 T HN 0.420 nan 8.240 nan 0.000 0.440 379 D N 3.685 124.137 120.400 0.088 0.000 2.425 379 D HA 0.327 4.967 4.640 -0.001 0.000 0.247 379 D C 0.307 176.648 176.300 0.068 0.000 1.147 379 D CA 0.452 54.514 54.000 0.102 0.000 0.879 379 D CB 0.704 41.542 40.800 0.063 0.000 1.179 379 D HN 0.546 nan 8.370 nan 0.000 0.456 380 R N 1.572 122.113 120.500 0.068 0.000 2.633 380 R HA 0.068 4.408 4.340 -0.001 0.000 0.256 380 R C -1.197 175.119 176.300 0.027 0.000 1.131 380 R CA -0.564 55.556 56.100 0.034 0.000 0.994 380 R CB 1.210 31.519 30.300 0.015 0.000 1.261 380 R HN 0.296 nan 8.270 nan 0.000 0.446 381 E N 5.348 125.562 120.200 0.024 0.000 2.081 381 E HA 0.121 4.471 4.350 -0.001 0.000 0.270 381 E C -0.533 176.074 176.600 0.011 0.000 1.180 381 E CA -0.067 56.344 56.400 0.020 0.000 0.926 381 E CB 0.423 30.134 29.700 0.018 0.000 1.035 381 E HN 0.346 nan 8.360 nan 0.000 0.418 382 L N 3.084 124.308 121.223 0.003 0.000 2.399 382 L HA 0.320 4.659 4.340 -0.001 0.000 0.265 382 L C 1.017 177.893 176.870 0.010 0.000 1.089 382 L CA -0.455 54.387 54.840 0.004 0.000 0.802 382 L CB 1.579 43.628 42.059 -0.016 0.000 1.180 382 L HN 0.516 nan 8.230 nan 0.000 0.454 383 T N -1.755 112.810 114.554 0.018 0.000 3.115 383 T HA 0.087 4.437 4.350 -0.001 0.000 0.256 383 T C 0.223 174.937 174.700 0.023 0.000 0.970 383 T CA 0.226 62.336 62.100 0.017 0.000 1.010 383 T CB 0.732 69.609 68.868 0.015 0.000 1.151 383 T HN 0.599 nan 8.240 nan 0.000 0.479 384 T N 3.080 117.654 114.554 0.033 0.000 2.841 384 T HA 0.691 5.040 4.350 -0.001 0.000 0.285 384 T C -0.737 173.995 174.700 0.054 0.000 0.991 384 T CA -0.701 61.423 62.100 0.040 0.000 0.966 384 T CB 2.022 70.915 68.868 0.042 0.000 0.962 384 T HN 0.254 nan 8.240 nan 0.000 0.438 385 V N 1.211 121.158 119.914 0.056 0.000 2.823 385 V HA 0.857 4.977 4.120 -0.001 0.000 0.312 385 V C -0.624 175.488 176.094 0.030 0.000 1.072 385 V CA -1.211 61.131 62.300 0.069 0.000 0.937 385 V CB 2.100 34.002 31.823 0.132 0.000 1.013 385 V HN 0.984 nan 8.190 nan 0.000 0.430 386 M N 3.082 122.669 119.600 -0.021 0.000 2.535 386 M HA 0.762 5.241 4.480 -0.001 0.000 0.314 386 M C -0.942 175.311 176.300 -0.079 0.000 1.153 386 M CA -0.271 55.016 55.300 -0.022 0.000 0.924 386 M CB 2.211 34.824 32.600 0.021 0.000 1.710 386 M HN 0.950 nan 8.290 nan 0.000 0.451 387 S N 3.023 118.686 115.700 -0.061 0.000 2.614 387 S HA 0.574 5.044 4.470 -0.001 0.000 0.288 387 S C -1.461 173.058 174.600 -0.136 0.000 1.137 387 S CA -0.786 57.355 58.200 -0.098 0.000 0.992 387 S CB 1.011 64.161 63.200 -0.084 0.000 1.026 387 S HN 0.844 nan 8.310 nan 0.000 0.486 388 N N 1.998 120.577 118.700 -0.203 0.000 2.443 388 N HA 0.589 5.329 4.740 -0.001 0.000 0.295 388 N C -1.280 173.847 175.510 -0.638 0.000 1.076 388 N CA -0.377 52.424 53.050 -0.416 0.000 0.919 388 N CB 1.880 40.108 38.487 -0.431 0.000 1.176 388 N HN 0.457 nan 8.380 nan 0.000 0.487 389 S N 1.287 116.437 115.700 -0.916 0.000 2.619 389 S HA 0.639 5.108 4.470 -0.001 0.000 0.280 389 S C -1.366 172.609 174.600 -1.042 0.000 1.150 389 S CA -0.576 57.101 58.200 -0.873 0.000 0.978 389 S CB 0.569 63.516 63.200 -0.423 0.000 1.041 389 S HN 0.297 nan 8.310 nan 0.000 0.485 390 F N 0.826 120.228 119.950 -0.914 0.000 2.576 390 F HA 0.880 5.407 4.527 -0.000 0.000 0.313 390 F C 0.689 176.319 175.800 -0.284 0.000 1.078 390 F CA -0.892 56.819 58.000 -0.481 0.000 0.921 390 F CB 1.972 40.760 39.000 -0.352 0.000 1.232 390 F HN 0.681 nan 8.300 nan 0.000 0.459 391 G N 0.459 109.353 108.800 0.157 0.000 2.694 391 G HA2 0.595 4.555 3.960 -0.001 0.000 0.290 391 G HA3 0.595 4.555 3.960 -0.001 0.000 0.290 391 G C -1.544 173.524 174.900 0.279 0.000 1.386 391 G CA -0.729 44.454 45.100 0.138 0.000 0.872 391 G HN 0.207 nan 8.290 nan 0.000 0.475 392 F N 0.349 120.399 119.950 0.168 0.000 2.589 392 F HA 0.383 4.909 4.527 -0.000 0.000 0.352 392 F C 1.746 177.606 175.800 0.100 0.000 1.168 392 F CA 1.012 59.093 58.000 0.135 0.000 1.353 392 F CB 0.652 39.733 39.000 0.134 0.000 1.116 392 F HN 1.171 nan 8.300 nan 0.000 0.608 393 G N 0.479 109.436 108.800 0.261 0.000 2.143 393 G HA2 0.031 3.990 3.960 -0.001 0.000 0.249 393 G HA3 0.031 3.990 3.960 -0.001 0.000 0.249 393 G C 0.832 175.803 174.900 0.119 0.000 0.981 393 G CA 0.410 45.597 45.100 0.146 0.000 0.665 393 G HN 1.920 nan 8.290 nan 0.000 0.528 394 G N -1.091 107.792 108.800 0.138 0.000 2.314 394 G HA2 0.092 4.051 3.960 -0.001 0.000 0.292 394 G HA3 0.092 4.051 3.960 -0.001 0.000 0.292 394 G C 0.288 175.250 174.900 0.103 0.000 1.059 394 G CA 1.290 46.447 45.100 0.094 0.000 0.982 394 G HN 1.928 nan 8.290 nan 0.000 0.505 395 T N 0.583 115.231 114.554 0.157 0.000 2.758 395 T HA 0.568 4.918 4.350 -0.001 0.000 0.285 395 T C 0.103 174.965 174.700 0.270 0.000 0.981 395 T CA -0.631 61.588 62.100 0.199 0.000 0.965 395 T CB 0.255 69.254 68.868 0.219 0.000 0.927 395 T HN 0.389 nan 8.240 nan 0.000 0.448 396 N N 3.044 121.912 118.700 0.281 0.000 2.319 396 N HA 0.753 5.493 4.740 -0.001 0.000 0.305 396 N C -1.233 174.413 175.510 0.226 0.000 1.103 396 N CA -0.743 52.512 53.050 0.341 0.000 0.815 396 N CB 2.167 40.828 38.487 0.290 0.000 1.288 396 N HN 0.724 nan 8.380 nan 0.000 0.493 397 A N 0.172 123.016 122.820 0.040 0.000 2.520 397 A HA 0.698 5.017 4.320 -0.001 0.000 0.298 397 A C -0.713 176.815 177.584 -0.094 0.000 1.051 397 A CA -0.639 51.333 52.037 -0.108 0.000 0.690 397 A CB 1.692 20.364 19.000 -0.546 0.000 1.281 397 A HN 0.618 nan 8.150 nan 0.000 0.402 398 T N 0.912 115.473 114.554 0.011 0.000 2.933 398 T HA 0.685 5.034 4.350 -0.001 0.000 0.305 398 T C -1.350 173.400 174.700 0.083 0.000 1.092 398 T CA -0.472 61.630 62.100 0.003 0.000 1.008 398 T CB 0.687 69.577 68.868 0.037 0.000 1.102 398 T HN 0.672 nan 8.240 nan 0.000 0.469 399 L N 3.279 124.523 121.223 0.035 0.000 2.365 399 L HA 0.807 5.146 4.340 -0.001 0.000 0.273 399 L C -0.785 176.105 176.870 0.033 0.000 1.000 399 L CA -1.279 53.592 54.840 0.052 0.000 0.819 399 L CB 2.421 44.472 42.059 -0.013 0.000 1.284 399 L HN 0.492 nan 8.230 nan 0.000 0.418 400 V N 3.666 123.610 119.914 0.050 0.000 2.409 400 V HA 0.495 4.614 4.120 -0.001 0.000 0.291 400 V C -0.164 175.947 176.094 0.029 0.000 1.020 400 V CA -0.324 62.002 62.300 0.043 0.000 0.848 400 V CB 1.695 33.554 31.823 0.060 0.000 0.990 400 V HN 0.701 nan 8.190 nan 0.000 0.430 401 M N 5.117 124.729 119.600 0.020 0.000 2.383 401 M HA 0.658 5.138 4.480 -0.001 0.000 0.325 401 M C -0.421 175.890 176.300 0.018 0.000 1.092 401 M CA -0.275 55.031 55.300 0.011 0.000 0.961 401 M CB 2.275 34.874 32.600 -0.002 0.000 1.672 401 M HN 0.540 nan 8.290 nan 0.000 0.438 402 R N 1.163 121.671 120.500 0.013 0.000 2.744 402 R HA 0.459 4.798 4.340 -0.001 0.000 0.279 402 R C -1.134 175.168 176.300 0.004 0.000 0.977 402 R CA -0.858 55.250 56.100 0.013 0.000 0.906 402 R CB 1.857 32.165 30.300 0.012 0.000 1.197 402 R HN 0.614 nan 8.270 nan 0.000 0.463 403 K N 2.854 123.256 120.400 0.003 0.000 2.416 403 K HA 0.036 4.355 4.320 -0.001 0.000 0.283 403 K C 0.076 176.667 176.600 -0.014 0.000 1.037 403 K CA -0.260 56.023 56.287 -0.007 0.000 0.995 403 K CB 0.498 32.994 32.500 -0.006 0.000 0.938 403 K HN 0.281 nan 8.250 nan 0.000 0.475 404 L N 0.000 121.207 121.223 -0.027 0.000 2.949 404 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 404 L CA 0.000 54.824 54.840 -0.027 0.000 0.813 404 L CB 0.000 42.035 42.059 -0.040 0.000 0.961 404 L HN 0.000 nan 8.230 nan 0.000 0.502