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 1t6e_1_X DATA FIRST_RESID 1 DATA SEQUENCE LPVLAPVTKD PATSLYTIPF HDGASLVLDV AGPLVWSTcD GGQPPAEIPc DATA SEQUENCE SSPTcLLANA YPAPGcPAPS cXXXXXXKPc TAYPYNPVSG AcAAGSLSHT DATA SEQUENCE RFVANTTDGS KPVSKVNVGV LAAcAPSKLL ASLPRGSTGV AGLANSGLAL DATA SEQUENCE PAQVASAQKV ANRFLLcLPT GGPGVAIFGG GPVPWPQFTQ SMPYTPLVTK DATA SEQUENCE GGSPAHYISA RSIVVGDTRV PVPEGALATG GVMLSTRLPY VLLRPDVYRP DATA SEQUENCE LMDAFTKALA AQXXXXXXXA RAVEAVAPFG VcYDTKTLGN NLGGYAVPNV DATA SEQUENCE QLGLDGGSDW TMTGKNSMVD VKQGTAcVAF VEMKGVXXXX XXAPAVILGG DATA SEQUENCE AQMEDFVLDF DMEKKRLGFS RLPHFTGcGG L 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.904 176.870 0.056 0.000 1.165 1 L CA 0.000 54.861 54.840 0.035 0.000 0.813 1 L CB 0.000 42.072 42.059 0.021 0.000 0.961 2 P HA 0.130 nan 4.420 nan 0.000 0.269 2 P C -1.193 176.171 177.300 0.107 0.000 1.217 2 P CA -0.232 62.930 63.100 0.103 0.000 0.783 2 P CB 0.539 32.289 31.700 0.084 0.000 0.898 3 V N 2.738 122.762 119.914 0.184 0.000 2.417 3 V HA 0.338 4.459 4.120 0.001 0.000 0.291 3 V C -0.077 176.162 176.094 0.243 0.000 1.024 3 V CA -0.578 61.829 62.300 0.179 0.000 0.861 3 V CB 1.292 33.242 31.823 0.211 0.000 0.985 3 V HN 0.345 nan 8.190 nan 0.000 0.436 4 L N 5.082 126.388 121.223 0.139 0.000 2.307 4 L HA 0.953 5.293 4.340 0.001 0.000 0.284 4 L C -0.029 176.939 176.870 0.163 0.000 1.023 4 L CA 0.011 54.932 54.840 0.137 0.000 0.810 4 L CB 1.308 43.413 42.059 0.076 0.000 1.231 4 L HN 0.768 nan 8.230 nan 0.000 0.423 5 A N 6.166 129.127 122.820 0.234 0.000 2.414 5 A HA 0.916 5.237 4.320 0.001 0.000 0.306 5 A C -2.890 174.806 177.584 0.187 0.000 1.054 5 A CA -1.442 50.741 52.037 0.243 0.000 0.724 5 A CB 1.420 20.682 19.000 0.436 0.000 1.267 5 A HN 0.567 nan 8.150 nan 0.000 0.418 6 P HA 0.373 nan 4.420 nan 0.000 0.278 6 P C -0.674 176.703 177.300 0.129 0.000 1.238 6 P CA -0.091 63.084 63.100 0.126 0.000 0.794 6 P CB 1.252 33.013 31.700 0.102 0.000 0.955 7 V N 3.133 123.115 119.914 0.114 0.000 2.398 7 V HA 0.330 4.450 4.120 0.001 0.000 0.286 7 V C 0.454 176.619 176.094 0.117 0.000 1.026 7 V CA -0.120 62.251 62.300 0.118 0.000 0.868 7 V CB 1.503 33.389 31.823 0.106 0.000 0.982 7 V HN 0.544 nan 8.190 nan 0.000 0.443 8 T N 4.934 119.557 114.554 0.115 0.000 2.797 8 T HA 0.330 4.680 4.350 0.001 0.000 0.279 8 T C -0.186 174.572 174.700 0.095 0.000 0.991 8 T CA -0.558 61.596 62.100 0.091 0.000 0.979 8 T CB 1.144 70.043 68.868 0.053 0.000 0.943 8 T HN 0.615 nan 8.240 nan 0.000 0.444 9 K N 2.886 123.335 120.400 0.081 0.000 2.316 9 K HA 0.127 4.447 4.320 0.001 0.000 0.289 9 K C -0.383 176.159 176.600 -0.096 0.000 1.070 9 K CA -0.519 55.731 56.287 -0.062 0.000 0.928 9 K CB 0.406 32.896 32.500 -0.016 0.000 1.039 9 K HN 0.523 nan 8.250 nan 0.000 0.480 10 D N 6.098 126.408 120.400 -0.150 0.000 2.382 10 D HA 0.035 4.675 4.640 0.001 0.000 0.259 10 D C -1.625 174.619 176.300 -0.092 0.000 1.224 10 D CA -1.826 52.113 54.000 -0.101 0.000 0.894 10 D CB 1.294 42.030 40.800 -0.107 0.000 1.127 10 D HN 0.322 nan 8.370 nan 0.000 0.487 11 P HA -0.153 nan 4.420 nan 0.000 0.215 11 P C 0.847 178.128 177.300 -0.033 0.000 1.153 11 P CA 1.277 64.355 63.100 -0.036 0.000 0.853 11 P CB 0.093 31.782 31.700 -0.018 0.000 0.788 12 A N -0.443 122.358 122.820 -0.032 0.000 1.897 12 A HA -0.110 4.211 4.320 0.001 0.000 0.215 12 A C 2.171 179.738 177.584 -0.029 0.000 1.181 12 A CA 2.441 54.464 52.037 -0.023 0.000 0.620 12 A CB -1.653 17.335 19.000 -0.019 0.000 0.821 12 A HN 0.371 nan 8.150 nan 0.000 0.443 13 T N -5.594 108.927 114.554 -0.054 0.000 3.014 13 T HA 0.216 4.566 4.350 0.001 0.000 0.250 13 T C 0.829 175.471 174.700 -0.097 0.000 1.060 13 T CA 1.041 63.102 62.100 -0.064 0.000 1.040 13 T CB 0.005 68.827 68.868 -0.076 0.000 0.971 13 T HN 0.653 nan 8.240 nan 0.000 0.497 14 S N 0.462 116.079 115.700 -0.137 0.000 3.270 14 S HA -0.130 4.341 4.470 0.001 0.000 0.293 14 S C 0.221 174.552 174.600 -0.448 0.000 1.278 14 S CA 0.532 58.594 58.200 -0.229 0.000 1.038 14 S CB -2.253 60.876 63.200 -0.118 0.000 1.218 14 S HN 0.675 nan 8.310 nan 0.000 0.659 15 L N 0.424 121.430 121.223 -0.361 0.000 2.456 15 L HA 0.490 4.830 4.340 0.001 0.000 0.257 15 L C 0.224 176.777 176.870 -0.530 0.000 1.162 15 L CA -0.510 54.099 54.840 -0.386 0.000 0.808 15 L CB 0.310 42.263 42.059 -0.177 0.000 1.136 15 L HN 0.163 nan 8.230 nan 0.000 0.466 16 Y N -0.548 119.727 120.300 -0.042 0.000 2.360 16 Y HA 0.496 5.047 4.550 0.001 0.000 0.337 16 Y C 0.498 176.367 175.900 -0.052 0.000 1.039 16 Y CA -0.862 57.218 58.100 -0.033 0.000 1.109 16 Y CB 1.819 40.266 38.460 -0.021 0.000 1.201 16 Y HN 0.503 nan 8.280 nan 0.000 0.458 17 T N 1.595 116.200 114.554 0.085 0.000 2.916 17 T HA 0.867 5.217 4.350 0.001 0.000 0.292 17 T C -0.711 174.027 174.700 0.063 0.000 1.055 17 T CA -0.858 61.257 62.100 0.025 0.000 1.009 17 T CB 1.496 70.355 68.868 -0.015 0.000 1.118 17 T HN 0.625 nan 8.240 nan 0.000 0.497 18 I N -1.561 119.039 120.570 0.050 0.000 2.785 18 I HA 0.737 4.907 4.170 0.001 0.000 0.302 18 I C -3.081 173.116 176.117 0.134 0.000 1.069 18 I CA -3.432 57.940 61.300 0.120 0.000 1.045 18 I CB 2.120 40.232 38.000 0.187 0.000 1.236 18 I HN 0.321 nan 8.210 nan 0.000 0.429 19 P HA 0.098 nan 4.420 nan 0.000 0.271 19 P C -0.678 176.833 177.300 0.351 0.000 1.216 19 P CA 0.049 63.264 63.100 0.192 0.000 0.776 19 P CB 0.603 32.394 31.700 0.151 0.000 0.881 20 F N 2.458 122.455 119.950 0.077 0.000 2.495 20 F HA 0.222 4.750 4.527 0.001 0.000 0.271 20 F C 0.495 176.403 175.800 0.180 0.000 0.889 20 F CA 1.033 59.108 58.000 0.123 0.000 1.129 20 F CB 0.103 39.031 39.000 -0.120 0.000 1.169 20 F HN 0.461 nan 8.300 nan 0.000 0.781 21 H N -1.614 117.390 119.070 -0.109 0.000 3.068 21 H HA 0.226 4.783 4.556 0.001 0.000 0.342 21 H C -1.078 174.196 175.328 -0.090 0.000 1.284 21 H CA -0.298 55.638 56.048 -0.187 0.000 1.181 21 H CB 0.878 30.399 29.762 -0.401 0.000 1.898 21 H HN 0.170 nan 8.280 nan 0.000 0.540 22 D N 1.214 121.661 120.400 0.078 0.000 2.708 22 D HA -0.181 4.460 4.640 0.001 0.000 0.236 22 D C 1.331 177.641 176.300 0.017 0.000 1.146 22 D CA 2.056 56.094 54.000 0.062 0.000 0.662 22 D CB -1.534 39.350 40.800 0.141 0.000 1.059 22 D HN 1.170 nan 8.370 nan 0.000 0.428 23 G N -1.107 107.699 108.800 0.009 0.000 2.234 23 G HA2 -0.228 3.733 3.960 0.001 0.000 0.260 23 G HA3 -0.228 3.733 3.960 0.001 0.000 0.260 23 G C 0.506 175.404 174.900 -0.003 0.000 0.987 23 G CA 0.768 45.873 45.100 0.009 0.000 0.625 23 G HN 1.212 nan 8.290 nan 0.000 0.532 24 A N 0.264 123.061 122.820 -0.038 0.000 2.354 24 A HA 0.785 5.106 4.320 0.001 0.000 0.269 24 A C 0.701 178.290 177.584 0.008 0.000 1.109 24 A CA 1.003 53.016 52.037 -0.041 0.000 0.800 24 A CB 0.720 19.650 19.000 -0.117 0.000 1.045 24 A HN 1.937 nan 8.150 nan 0.000 0.489 25 S N 1.689 117.394 115.700 0.008 0.000 2.664 25 S HA 0.838 5.309 4.470 0.001 0.000 0.304 25 S C -0.598 173.955 174.600 -0.078 0.000 1.099 25 S CA -0.726 57.480 58.200 0.010 0.000 1.003 25 S CB 0.982 64.180 63.200 -0.004 0.000 1.092 25 S HN 0.607 nan 8.310 nan 0.000 0.525 26 L N 1.436 122.569 121.223 -0.151 0.000 2.354 26 L HA 0.558 4.899 4.340 0.001 0.000 0.269 26 L C -0.767 175.952 176.870 -0.252 0.000 1.005 26 L CA -1.333 53.315 54.840 -0.319 0.000 0.819 26 L CB 2.130 43.856 42.059 -0.554 0.000 1.311 26 L HN 0.505 nan 8.230 nan 0.000 0.423 27 V N 3.507 123.245 119.914 -0.294 0.000 2.555 27 V HA 0.129 4.249 4.120 0.001 0.000 0.286 27 V C 0.402 176.371 176.094 -0.208 0.000 1.044 27 V CA -0.304 61.872 62.300 -0.207 0.000 1.026 27 V CB 1.100 32.795 31.823 -0.214 0.000 0.981 27 V HN 0.448 nan 8.190 nan 0.000 0.480 28 L N 4.779 125.937 121.223 -0.107 0.000 2.361 28 L HA 0.324 4.664 4.340 0.001 0.000 0.278 28 L C -0.042 176.770 176.870 -0.096 0.000 1.113 28 L CA 0.108 54.881 54.840 -0.112 0.000 0.849 28 L CB 0.438 42.470 42.059 -0.045 0.000 1.155 28 L HN 0.642 nan 8.230 nan 0.000 0.452 29 D N 2.614 122.931 120.400 -0.138 0.000 2.420 29 D HA 0.169 4.810 4.640 0.001 0.000 0.255 29 D C 0.641 176.883 176.300 -0.096 0.000 1.185 29 D CA -0.575 53.373 54.000 -0.088 0.000 0.904 29 D CB 1.715 42.474 40.800 -0.067 0.000 1.102 29 D HN 0.248 nan 8.370 nan 0.000 0.534 30 V N 1.938 121.799 119.914 -0.087 0.000 3.305 30 V HA 0.201 4.322 4.120 0.001 0.000 0.269 30 V C 1.360 177.476 176.094 0.036 0.000 1.157 30 V CA 1.397 63.647 62.300 -0.084 0.000 1.157 30 V CB -0.457 31.280 31.823 -0.145 0.000 0.772 30 V HN 0.455 nan 8.190 nan 0.000 0.498 31 A N 0.340 123.161 122.820 0.003 0.000 2.390 31 A HA 0.638 4.959 4.320 0.001 0.000 0.232 31 A C 1.326 178.899 177.584 -0.017 0.000 1.233 31 A CA 0.441 52.469 52.037 -0.015 0.000 0.907 31 A CB -0.386 18.598 19.000 -0.026 0.000 0.967 31 A HN 0.718 nan 8.150 nan 0.000 0.512 32 G N 0.770 109.570 108.800 -0.001 0.000 2.353 32 G HA2 0.472 4.433 3.960 0.001 0.000 0.284 32 G HA3 0.472 4.433 3.960 0.001 0.000 0.284 32 G C -1.435 173.465 174.900 0.000 0.000 1.172 32 G CA -1.037 44.084 45.100 0.034 0.000 0.854 32 G HN 0.088 nan 8.290 nan 0.000 0.485 33 P HA 0.113 nan 4.420 nan 0.000 0.251 33 P C 0.177 177.519 177.300 0.070 0.000 1.223 33 P CA 0.332 63.455 63.100 0.038 0.000 0.796 33 P CB 0.662 32.426 31.700 0.106 0.000 1.068 34 L N -0.761 120.515 121.223 0.089 0.000 2.354 34 L HA 0.450 4.790 4.340 0.001 0.000 0.264 34 L C -0.303 176.579 176.870 0.021 0.000 1.008 34 L CA -1.392 53.505 54.840 0.095 0.000 0.819 34 L CB 2.855 45.031 42.059 0.195 0.000 1.339 34 L HN -0.437 nan 8.230 nan 0.000 0.420 35 V N 1.729 121.620 119.914 -0.038 0.000 2.407 35 V HA 0.389 4.510 4.120 0.001 0.000 0.278 35 V C -0.666 175.431 176.094 0.005 0.000 1.037 35 V CA -0.287 61.916 62.300 -0.162 0.000 0.900 35 V CB 0.915 32.595 31.823 -0.238 0.000 0.983 35 V HN 0.735 nan 8.190 nan 0.000 0.459 36 W N 3.455 124.651 121.300 -0.175 0.000 3.107 36 W HA 0.840 5.501 4.660 0.001 0.000 0.331 36 W C -1.107 175.342 176.519 -0.116 0.000 1.204 36 W CA -0.872 56.409 57.345 -0.107 0.000 1.184 36 W CB 1.784 31.206 29.460 -0.062 0.000 1.421 36 W HN 0.537 nan 8.180 nan 0.000 0.544 37 S N 0.921 116.865 115.700 0.406 0.000 2.565 37 S HA 0.473 4.944 4.470 0.001 0.000 0.269 37 S C -0.331 174.472 174.600 0.337 0.000 1.153 37 S CA -0.193 58.171 58.200 0.274 0.000 0.835 37 S CB 1.215 64.562 63.200 0.245 0.000 1.122 37 S HN 0.719 nan 8.310 nan 0.000 0.462 38 T N 0.621 115.338 114.554 0.273 0.000 2.855 38 T HA 0.504 4.854 4.350 0.001 0.000 0.314 38 T C 0.180 174.990 174.700 0.184 0.000 1.077 38 T CA -0.225 61.990 62.100 0.192 0.000 1.095 38 T CB -0.247 68.709 68.868 0.146 0.000 0.987 38 T HN 0.630 nan 8.240 nan 0.000 0.546 39 c N 1.662 120.344 118.600 0.138 0.000 2.712 39 c HA 0.485 5.056 4.570 0.001 0.000 0.308 39 c C -0.036 174.108 174.090 0.091 0.000 1.201 39 c CA -0.918 55.487 56.329 0.128 0.000 1.554 39 c CB 1.573 44.146 42.510 0.106 0.000 2.117 39 c HN 0.943 nan 8.230 nan 0.000 0.480 40 D N 1.212 121.661 120.400 0.082 0.000 2.443 40 D HA 0.272 4.913 4.640 0.001 0.000 0.234 40 D C 0.643 176.968 176.300 0.042 0.000 1.172 40 D CA 0.828 54.861 54.000 0.056 0.000 0.878 40 D CB 0.493 41.318 40.800 0.041 0.000 1.204 40 D HN 0.817 nan 8.370 nan 0.000 0.453 41 G N -0.315 108.504 108.800 0.033 0.000 2.353 41 G HA2 0.361 4.321 3.960 0.001 0.000 0.239 41 G HA3 0.361 4.321 3.960 0.001 0.000 0.239 41 G C 1.109 176.021 174.900 0.020 0.000 1.295 41 G CA 0.010 45.124 45.100 0.024 0.000 0.884 41 G HN 0.796 nan 8.290 nan 0.000 0.537 42 G N 0.585 109.396 108.800 0.017 0.000 2.155 42 G HA2 -0.261 3.700 3.960 0.001 0.000 0.257 42 G HA3 -0.261 3.700 3.960 0.001 0.000 0.257 42 G C 0.607 175.517 174.900 0.016 0.000 0.983 42 G CA 0.760 45.869 45.100 0.014 0.000 0.676 42 G HN 1.142 nan 8.290 nan 0.000 0.528 43 Q N 1.374 121.187 119.800 0.023 0.000 2.255 43 Q HA 0.448 4.788 4.340 0.001 0.000 0.280 43 Q C -2.002 174.015 176.000 0.029 0.000 1.068 43 Q CA -1.233 54.586 55.803 0.027 0.000 0.911 43 Q CB 0.434 29.197 28.738 0.041 0.000 1.157 43 Q HN 0.324 nan 8.270 nan 0.000 0.380 44 P HA 0.185 nan 4.420 nan 0.000 0.271 44 P C -2.559 174.771 177.300 0.050 0.000 1.226 44 P CA -1.098 62.022 63.100 0.033 0.000 0.765 44 P CB 0.295 32.012 31.700 0.029 0.000 0.835 45 P HA 0.131 nan 4.420 nan 0.000 0.271 45 P C -0.421 176.921 177.300 0.069 0.000 1.218 45 P CA -0.203 62.921 63.100 0.040 0.000 0.780 45 P CB 0.565 32.275 31.700 0.016 0.000 0.901 46 A N 2.593 125.461 122.820 0.081 0.000 2.386 46 A HA 0.116 4.437 4.320 0.001 0.000 0.248 46 A C 0.254 177.887 177.584 0.081 0.000 1.082 46 A CA -0.328 51.794 52.037 0.142 0.000 0.789 46 A CB -0.339 18.688 19.000 0.045 0.000 1.025 46 A HN 0.550 nan 8.150 nan 0.000 0.490 47 E N 0.911 121.170 120.200 0.098 0.000 1.856 47 E HA 0.331 4.682 4.350 0.001 0.000 0.263 47 E C -1.098 175.531 176.600 0.050 0.000 1.137 47 E CA 0.407 56.841 56.400 0.057 0.000 1.007 47 E CB -0.043 29.686 29.700 0.048 0.000 1.117 47 E HN 0.472 nan 8.360 nan 0.000 0.438 48 I N 4.092 124.680 120.570 0.030 0.000 2.448 48 I HA 0.272 4.442 4.170 0.001 0.000 0.281 48 I C -2.330 173.793 176.117 0.010 0.000 1.027 48 I CA -2.638 58.673 61.300 0.018 0.000 1.111 48 I CB 1.651 39.652 38.000 0.003 0.000 1.236 48 I HN 0.138 nan 8.210 nan 0.000 0.452 49 P HA 0.009 nan 4.420 nan 0.000 0.269 49 P C 0.960 178.264 177.300 0.006 0.000 1.215 49 P CA -0.419 62.686 63.100 0.008 0.000 0.780 49 P CB 0.520 32.226 31.700 0.009 0.000 0.898 50 c N -0.305 118.298 118.600 0.006 0.000 2.422 50 c HA -0.073 4.497 4.570 0.001 0.000 0.286 50 c C 2.067 176.161 174.090 0.006 0.000 1.412 50 c CA 0.923 57.256 56.329 0.007 0.000 1.786 50 c CB -2.102 40.415 42.510 0.012 0.000 1.835 50 c HN 0.579 nan 8.230 nan 0.000 0.533 51 S N 0.499 116.203 115.700 0.005 0.000 2.558 51 S HA 0.082 4.552 4.470 0.001 0.000 0.217 51 S C 0.799 175.401 174.600 0.004 0.000 0.975 51 S CA 0.555 58.757 58.200 0.004 0.000 0.912 51 S CB -0.584 62.619 63.200 0.004 0.000 0.776 51 S HN 0.666 nan 8.310 nan 0.000 0.526 52 S N 2.743 118.446 115.700 0.005 0.000 2.572 52 S HA 0.244 4.715 4.470 0.001 0.000 0.279 52 S C -1.548 173.056 174.600 0.005 0.000 1.341 52 S CA -1.221 56.983 58.200 0.007 0.000 1.043 52 S CB 0.669 63.875 63.200 0.009 0.000 0.887 52 S HN 0.042 nan 8.310 nan 0.000 0.516 53 P HA -0.093 nan 4.420 nan 0.000 0.216 53 P C 1.416 178.721 177.300 0.007 0.000 1.154 53 P CA 1.522 64.626 63.100 0.007 0.000 0.865 53 P CB -0.146 31.561 31.700 0.012 0.000 0.789 54 T N -1.646 112.914 114.554 0.009 0.000 2.746 54 T HA -0.187 4.164 4.350 0.001 0.000 0.267 54 T C 1.934 176.635 174.700 0.002 0.000 1.039 54 T CA 1.303 63.407 62.100 0.006 0.000 1.142 54 T CB -1.318 67.551 68.868 0.002 0.000 0.866 54 T HN 0.189 nan 8.240 nan 0.000 0.444 55 c N 1.020 119.620 118.600 0.000 0.000 2.440 55 c HA 0.081 4.652 4.570 0.001 0.000 0.278 55 c C 2.629 176.720 174.090 0.002 0.000 1.295 55 c CA 0.289 56.619 56.329 0.000 0.000 1.738 55 c CB -1.524 40.987 42.510 0.001 0.000 1.987 55 c HN 0.527 nan 8.230 nan 0.000 0.492 56 L N 0.237 121.458 121.223 -0.003 0.000 2.042 56 L HA -0.171 4.170 4.340 0.001 0.000 0.210 56 L C 2.565 179.422 176.870 -0.021 0.000 1.076 56 L CA 1.495 56.326 54.840 -0.015 0.000 0.749 56 L CB -0.775 41.272 42.059 -0.019 0.000 0.893 56 L HN 0.394 nan 8.230 nan 0.000 0.432 57 L N -0.138 121.083 121.223 -0.003 0.000 2.042 57 L HA -0.207 4.134 4.340 0.001 0.000 0.210 57 L C 2.875 179.765 176.870 0.032 0.000 1.076 57 L CA 1.229 56.078 54.840 0.014 0.000 0.749 57 L CB -0.776 41.303 42.059 0.033 0.000 0.893 57 L HN 0.250 nan 8.230 nan 0.000 0.432 58 A N -0.358 122.478 122.820 0.027 0.000 2.019 58 A HA -0.144 4.176 4.320 0.001 0.000 0.219 58 A C 1.783 179.402 177.584 0.059 0.000 1.164 58 A CA 1.512 53.574 52.037 0.042 0.000 0.644 58 A CB -0.325 18.686 19.000 0.019 0.000 0.805 58 A HN 0.493 nan 8.150 nan 0.000 0.449 59 N N -0.827 117.894 118.700 0.035 0.000 2.204 59 N HA 0.240 4.981 4.740 0.001 0.000 0.219 59 N C 1.303 176.789 175.510 -0.040 0.000 1.151 59 N CA 0.710 53.784 53.050 0.040 0.000 0.867 59 N CB 0.497 39.018 38.487 0.057 0.000 1.043 59 N HN 0.416 nan 8.380 nan 0.000 0.516 60 A N 0.137 122.890 122.820 -0.111 0.000 2.070 60 A HA -0.094 4.227 4.320 0.001 0.000 0.220 60 A C 0.168 177.380 177.584 -0.621 0.000 1.159 60 A CA 1.118 52.932 52.037 -0.372 0.000 0.656 60 A CB -0.271 18.439 19.000 -0.483 0.000 0.800 60 A HN 0.300 nan 8.150 nan 0.000 0.453 61 Y N -0.110 120.191 120.300 0.002 0.000 2.662 61 Y HA 0.358 4.909 4.550 0.001 0.000 0.358 61 Y C -2.406 173.474 175.900 -0.032 0.000 1.041 61 Y CA -2.586 55.505 58.100 -0.014 0.000 1.184 61 Y CB 0.284 38.739 38.460 -0.009 0.000 1.114 61 Y HN 0.082 nan 8.280 nan 0.000 0.650 62 P HA 0.008 nan 4.420 nan 0.000 0.264 62 P C -0.129 177.136 177.300 -0.058 0.000 1.179 62 P CA 0.114 63.204 63.100 -0.015 0.000 0.763 62 P CB 0.779 32.442 31.700 -0.061 0.000 0.806 63 A N 4.894 127.671 122.820 -0.072 0.000 2.409 63 A HA 0.410 4.731 4.320 0.001 0.000 0.262 63 A C -2.053 175.424 177.584 -0.179 0.000 1.113 63 A CA -1.220 50.715 52.037 -0.169 0.000 0.790 63 A CB -0.917 18.086 19.000 0.006 0.000 1.046 63 A HN 0.396 nan 8.150 nan 0.000 0.496 64 P HA 0.291 nan 4.420 nan 0.000 0.263 64 P C 0.978 178.267 177.300 -0.019 0.000 1.195 64 P CA 1.675 64.700 63.100 -0.126 0.000 0.762 64 P CB 0.675 32.299 31.700 -0.127 0.000 0.799 65 G N 1.177 109.958 108.800 -0.031 0.000 2.175 65 G HA2 -0.212 3.749 3.960 0.001 0.000 0.244 65 G HA3 -0.212 3.749 3.960 0.001 0.000 0.244 65 G C 0.124 174.996 174.900 -0.046 0.000 0.982 65 G CA -0.173 44.919 45.100 -0.014 0.000 0.641 65 G HN 0.677 nan 8.290 nan 0.000 0.527 66 c N -0.079 118.457 118.600 -0.105 0.000 2.667 66 c HA 0.719 5.290 4.570 0.001 0.000 0.323 66 c C 0.042 173.923 174.090 -0.348 0.000 1.214 66 c CA -0.479 55.722 56.329 -0.213 0.000 1.721 66 c CB 1.423 43.800 42.510 -0.221 0.000 2.275 66 c HN 0.309 nan 8.230 nan 0.000 0.491 67 P HA 0.106 nan 4.420 nan 0.000 0.208 67 P C 0.096 177.149 177.300 -0.410 0.000 1.200 67 P CA 1.833 64.716 63.100 -0.361 0.000 0.924 67 P CB -0.050 31.491 31.700 -0.264 0.000 0.774 68 A N -1.155 121.298 122.820 -0.612 0.000 2.482 68 A HA -0.047 4.274 4.320 0.001 0.000 0.283 68 A C -1.887 175.647 177.584 -0.085 0.000 1.411 68 A CA -0.149 51.746 52.037 -0.237 0.000 0.725 68 A CB -2.915 15.988 19.000 -0.161 0.000 1.140 68 A HN 0.230 nan 8.150 nan 0.000 0.375 69 P HA 0.462 nan 4.420 nan 0.000 0.293 69 P C 0.556 177.864 177.300 0.014 0.000 1.298 69 P CA -0.394 62.709 63.100 0.005 0.000 0.757 69 P CB 0.343 32.069 31.700 0.043 0.000 1.262 70 S N -0.902 114.804 115.700 0.010 0.000 2.455 70 S HA 0.349 4.820 4.470 0.001 0.000 0.278 70 S C -0.170 174.436 174.600 0.010 0.000 1.216 70 S CA -0.390 57.813 58.200 0.004 0.000 1.055 70 S CB -0.978 62.222 63.200 -0.000 0.000 0.939 70 S HN 0.498 nan 8.310 nan 0.000 0.494 79 P HA -0.065 nan 4.420 nan 0.000 0.270 79 P C -0.246 177.049 177.300 -0.007 0.000 1.221 79 P CA -0.484 62.615 63.100 -0.002 0.000 0.788 79 P CB 0.493 32.191 31.700 -0.004 0.000 0.904 80 c N 1.902 120.494 118.600 -0.013 0.000 2.514 80 c HA 0.366 4.937 4.570 0.001 0.000 0.392 80 c C 0.130 174.189 174.090 -0.050 0.000 1.294 80 c CA 0.324 56.640 56.329 -0.020 0.000 1.957 80 c CB -1.169 41.329 42.510 -0.019 0.000 2.541 80 c HN 0.547 nan 8.230 nan 0.000 0.569 81 T N 5.310 119.827 114.554 -0.062 0.000 2.797 81 T HA 0.684 5.035 4.350 0.001 0.000 0.279 81 T C 0.018 174.585 174.700 -0.222 0.000 0.991 81 T CA -0.149 61.847 62.100 -0.174 0.000 0.979 81 T CB 1.446 70.206 68.868 -0.180 0.000 0.943 81 T HN 1.019 nan 8.240 nan 0.000 0.444 82 A N 2.428 125.051 122.820 -0.328 0.000 2.309 82 A HA 0.830 5.151 4.320 0.001 0.000 0.317 82 A C -1.566 175.628 177.584 -0.650 0.000 1.134 82 A CA -0.705 51.169 52.037 -0.272 0.000 0.866 82 A CB 0.885 19.823 19.000 -0.104 0.000 1.329 82 A HN 0.856 nan 8.150 nan 0.000 0.477 83 Y N 0.645 120.918 120.300 -0.044 0.000 2.705 83 Y HA 0.311 4.862 4.550 0.001 0.000 0.355 83 Y C -2.269 173.570 175.900 -0.102 0.000 1.039 83 Y CA -2.231 55.825 58.100 -0.073 0.000 1.233 83 Y CB 0.757 39.191 38.460 -0.043 0.000 1.103 83 Y HN 0.418 nan 8.280 nan 0.000 0.624 84 P HA -0.109 nan 4.420 nan 0.000 0.265 84 P C -0.918 176.172 177.300 -0.350 0.000 1.187 84 P CA 0.490 63.293 63.100 -0.496 0.000 0.766 84 P CB 0.839 31.830 31.700 -1.183 0.000 0.820 85 Y N 2.635 122.793 120.300 -0.237 0.000 2.338 85 Y HA 0.328 4.879 4.550 0.001 0.000 0.333 85 Y C -0.201 175.839 175.900 0.233 0.000 0.968 85 Y CA -1.234 56.861 58.100 -0.008 0.000 1.123 85 Y CB 1.214 39.720 38.460 0.076 0.000 1.165 85 Y HN 0.260 nan 8.280 nan 0.000 0.452 86 N N 8.300 126.819 118.700 -0.302 0.000 2.401 86 N HA 0.172 4.913 4.740 0.001 0.000 0.255 86 N C -2.116 173.046 175.510 -0.581 0.000 1.110 86 N CA -1.829 51.133 53.050 -0.146 0.000 0.949 86 N CB 1.568 40.016 38.487 -0.065 0.000 1.110 86 N HN 0.478 nan 8.380 nan 0.000 0.490 87 P HA -0.022 nan 4.420 nan 0.000 0.241 87 P C 1.014 178.239 177.300 -0.125 0.000 1.191 87 P CA 0.410 63.397 63.100 -0.189 0.000 0.771 87 P CB 0.685 32.403 31.700 0.030 0.000 0.929 88 V N 0.659 120.496 119.914 -0.128 0.000 2.436 88 V HA -0.075 4.045 4.120 0.001 0.000 0.240 88 V C 2.719 178.764 176.094 -0.081 0.000 1.040 88 V CA 2.152 64.403 62.300 -0.081 0.000 1.052 88 V CB -1.144 30.641 31.823 -0.063 0.000 0.707 88 V HN 0.249 nan 8.190 nan 0.000 0.469 89 S N 0.004 115.640 115.700 -0.106 0.000 2.478 89 S HA 0.235 4.705 4.470 0.001 0.000 0.222 89 S C 1.769 176.311 174.600 -0.098 0.000 1.008 89 S CA 0.944 59.095 58.200 -0.082 0.000 0.928 89 S CB 0.586 63.746 63.200 -0.067 0.000 0.781 89 S HN 1.207 nan 8.310 nan 0.000 0.518 90 G N 1.092 109.763 108.800 -0.215 0.000 2.179 90 G HA2 -0.125 3.836 3.960 0.001 0.000 0.260 90 G HA3 -0.125 3.836 3.960 0.001 0.000 0.260 90 G C 0.264 175.094 174.900 -0.117 0.000 0.977 90 G CA 0.055 45.048 45.100 -0.178 0.000 0.641 90 G HN 1.274 nan 8.290 nan 0.000 0.533 91 A N -0.551 122.172 122.820 -0.162 0.000 2.371 91 A HA 0.729 5.050 4.320 0.001 0.000 0.257 91 A C 0.947 178.483 177.584 -0.080 0.000 1.089 91 A CA 0.608 52.599 52.037 -0.076 0.000 0.794 91 A CB 0.373 19.329 19.000 -0.073 0.000 1.029 91 A HN 2.003 nan 8.150 nan 0.000 0.488 92 c N -0.792 117.807 118.600 -0.002 0.000 3.154 92 c HA 1.042 5.612 4.570 0.001 0.000 0.312 92 c C -0.053 174.024 174.090 -0.022 0.000 1.349 92 c CA -0.100 56.233 56.329 0.006 0.000 1.518 92 c CB 0.906 43.510 42.510 0.157 0.000 1.934 92 c HN 2.094 nan 8.230 nan 0.000 0.462 93 A N 0.173 122.971 122.820 -0.037 0.000 2.586 93 A HA 0.913 5.233 4.320 0.001 0.000 0.290 93 A C -0.531 177.024 177.584 -0.049 0.000 1.086 93 A CA 0.051 52.077 52.037 -0.018 0.000 0.665 93 A CB 0.361 19.299 19.000 -0.103 0.000 1.279 93 A HN 2.626 nan 8.150 nan 0.000 0.423 94 A N -0.391 122.382 122.820 -0.078 0.000 2.371 94 A HA 0.720 5.041 4.320 0.001 0.000 0.257 94 A C 0.537 177.949 177.584 -0.288 0.000 1.089 94 A CA 0.424 52.254 52.037 -0.345 0.000 0.794 94 A CB 0.207 19.077 19.000 -0.216 0.000 1.029 94 A HN 2.426 nan 8.150 nan 0.000 0.488 95 G N 0.102 108.692 108.800 -0.350 0.000 2.742 95 G HA2 0.542 4.502 3.960 0.001 0.000 0.296 95 G HA3 0.542 4.502 3.960 0.001 0.000 0.296 95 G C -0.522 174.267 174.900 -0.185 0.000 1.436 95 G CA 0.181 45.155 45.100 -0.210 0.000 0.928 95 G HN 1.447 nan 8.290 nan 0.000 0.520 96 S N 1.659 117.295 115.700 -0.107 0.000 2.537 96 S HA 0.584 5.054 4.470 0.001 0.000 0.275 96 S C 0.416 174.987 174.600 -0.048 0.000 1.272 96 S CA -0.710 57.443 58.200 -0.078 0.000 1.050 96 S CB 0.856 64.028 63.200 -0.046 0.000 0.961 96 S HN 0.587 nan 8.310 nan 0.000 0.496 97 L N 2.988 124.180 121.223 -0.052 0.000 2.485 97 L HA 0.320 4.661 4.340 0.001 0.000 0.275 97 L C 0.710 177.559 176.870 -0.036 0.000 1.207 97 L CA 0.063 54.877 54.840 -0.044 0.000 0.855 97 L CB 0.779 42.800 42.059 -0.063 0.000 1.114 97 L HN 0.877 nan 8.230 nan 0.000 0.485 98 S N 1.480 117.160 115.700 -0.033 0.000 2.541 98 S HA 0.350 4.821 4.470 0.001 0.000 0.271 98 S C -0.721 173.868 174.600 -0.018 0.000 1.133 98 S CA -0.833 57.369 58.200 0.003 0.000 0.876 98 S CB 1.020 64.253 63.200 0.054 0.000 1.105 98 S HN 0.562 nan 8.310 nan 0.000 0.470 99 H N 1.966 121.056 119.070 0.033 0.000 2.764 99 H HA 0.411 4.967 4.556 0.001 0.000 0.341 99 H C 0.419 175.762 175.328 0.024 0.000 1.072 99 H CA 0.337 56.404 56.048 0.031 0.000 1.444 99 H CB 1.406 31.176 29.762 0.014 0.000 1.458 99 H HN 0.611 nan 8.280 nan 0.000 0.572 100 T N 2.696 117.334 114.554 0.140 0.000 2.754 100 T HA 0.378 4.729 4.350 0.001 0.000 0.296 100 T C -1.040 173.681 174.700 0.036 0.000 1.205 100 T CA -0.940 61.188 62.100 0.047 0.000 1.009 100 T CB 1.514 70.459 68.868 0.127 0.000 1.368 100 T HN 0.514 nan 8.240 nan 0.000 0.509 101 R N 1.259 121.689 120.500 -0.117 0.000 2.599 101 R HA 0.475 4.816 4.340 0.001 0.000 0.295 101 R C -1.569 174.749 176.300 0.029 0.000 0.963 101 R CA -0.652 55.422 56.100 -0.044 0.000 0.883 101 R CB 1.561 31.783 30.300 -0.129 0.000 1.171 101 R HN 0.568 nan 8.270 nan 0.000 0.450 102 F N 3.651 123.630 119.950 0.049 0.000 2.334 102 F HA 0.302 4.829 4.527 0.001 0.000 0.367 102 F C -0.741 175.098 175.800 0.065 0.000 1.115 102 F CA -1.269 56.823 58.000 0.154 0.000 1.116 102 F CB 0.839 39.960 39.000 0.202 0.000 1.230 102 F HN 0.084 nan 8.300 nan 0.000 0.484 103 V N 7.198 127.106 119.914 -0.010 0.000 2.383 103 V HA 0.829 4.950 4.120 0.001 0.000 0.275 103 V C 0.271 176.218 176.094 -0.245 0.000 1.036 103 V CA 0.271 62.489 62.300 -0.137 0.000 0.889 103 V CB 0.018 31.820 31.823 -0.036 0.000 0.985 103 V HN 1.048 nan 8.190 nan 0.000 0.459 104 A N 5.032 127.653 122.820 -0.330 0.000 3.742 104 A HA 0.775 5.095 4.320 0.001 0.000 0.282 104 A C -1.022 176.467 177.584 -0.158 0.000 1.117 104 A CA -0.800 51.064 52.037 -0.289 0.000 0.624 104 A CB 1.158 19.804 19.000 -0.591 0.000 1.548 104 A HN 0.672 nan 8.150 nan 0.000 0.723 105 N N -0.547 118.092 118.700 -0.102 0.000 2.265 105 N HA 0.594 5.335 4.740 0.001 0.000 0.300 105 N C -0.559 174.932 175.510 -0.032 0.000 1.148 105 N CA -0.089 52.931 53.050 -0.050 0.000 0.772 105 N CB 1.985 40.465 38.487 -0.012 0.000 1.434 105 N HN 0.816 nan 8.380 nan 0.000 0.481 106 T N -1.928 112.615 114.554 -0.018 0.000 2.828 106 T HA 0.451 4.801 4.350 0.001 0.000 0.290 106 T C 0.102 174.807 174.700 0.008 0.000 1.019 106 T CA -0.361 61.741 62.100 0.003 0.000 1.031 106 T CB 1.341 70.210 68.868 0.003 0.000 1.001 106 T HN 0.346 nan 8.240 nan 0.000 0.531 107 T N -0.066 114.495 114.554 0.011 0.000 2.956 107 T HA 0.373 4.723 4.350 0.001 0.000 0.312 107 T C -0.621 174.070 174.700 -0.014 0.000 1.151 107 T CA -0.641 61.456 62.100 -0.004 0.000 1.024 107 T CB 1.436 70.299 68.868 -0.008 0.000 1.140 107 T HN 0.782 nan 8.240 nan 0.000 0.473 108 D N 1.790 122.173 120.400 -0.028 0.000 2.368 108 D HA 0.367 5.007 4.640 0.001 0.000 0.218 108 D C 1.055 177.314 176.300 -0.068 0.000 1.112 108 D CA 0.383 54.361 54.000 -0.036 0.000 0.834 108 D CB 0.412 41.195 40.800 -0.028 0.000 0.953 108 D HN 0.756 nan 8.370 nan 0.000 0.505 109 G N 0.348 109.088 108.800 -0.100 0.000 3.249 109 G HA2 0.052 4.012 3.960 0.001 0.000 0.124 109 G HA3 0.052 4.012 3.960 0.001 0.000 0.124 109 G C 0.547 175.291 174.900 -0.260 0.000 1.128 109 G CA 0.276 45.268 45.100 -0.180 0.000 1.461 109 G HN 0.332 nan 8.290 nan 0.000 0.683 110 S N -0.630 114.925 115.700 -0.242 0.000 2.679 110 S HA 0.428 4.899 4.470 0.001 0.000 0.258 110 S C 0.291 174.884 174.600 -0.012 0.000 1.068 110 S CA 0.043 58.122 58.200 -0.201 0.000 1.115 110 S CB 0.686 63.668 63.200 -0.364 0.000 1.078 110 S HN 0.228 nan 8.310 nan 0.000 0.603 111 K N 3.234 123.627 120.400 -0.012 0.000 2.123 111 K HA 0.540 4.861 4.320 0.001 0.000 0.259 111 K C -3.006 173.603 176.600 0.015 0.000 0.960 111 K CA -2.524 53.779 56.287 0.026 0.000 0.872 111 K CB 0.882 33.397 32.500 0.025 0.000 1.079 111 K HN 0.167 nan 8.250 nan 0.000 0.440 112 P HA 0.054 nan 4.420 nan 0.000 0.271 112 P C 0.344 177.649 177.300 0.008 0.000 1.216 112 P CA -0.111 62.999 63.100 0.017 0.000 0.771 112 P CB 0.877 32.590 31.700 0.022 0.000 0.864 113 V N 1.924 121.840 119.914 0.002 0.000 2.635 113 V HA 0.081 4.201 4.120 0.001 0.000 0.233 113 V C 1.000 177.093 176.094 -0.002 0.000 1.097 113 V CA 1.196 63.496 62.300 -0.001 0.000 1.134 113 V CB -0.345 31.476 31.823 -0.003 0.000 0.841 113 V HN 0.544 nan 8.190 nan 0.000 0.496 114 S N -0.634 115.063 115.700 -0.006 0.000 2.599 114 S HA 0.473 4.944 4.470 0.001 0.000 0.294 114 S C -0.621 173.968 174.600 -0.018 0.000 1.094 114 S CA -0.620 57.574 58.200 -0.010 0.000 0.931 114 S CB 2.313 65.507 63.200 -0.010 0.000 1.093 114 S HN 0.360 nan 8.310 nan 0.000 0.488 115 K N 1.070 121.457 120.400 -0.021 0.000 2.382 115 K HA 0.439 4.760 4.320 0.001 0.000 0.275 115 K C -1.055 175.520 176.600 -0.043 0.000 1.009 115 K CA -0.127 56.140 56.287 -0.034 0.000 0.970 115 K CB 0.441 32.923 32.500 -0.029 0.000 0.934 115 K HN 0.385 nan 8.250 nan 0.000 0.479 116 V N 4.177 124.049 119.914 -0.069 0.000 2.841 116 V HA 0.369 4.489 4.120 0.001 0.000 0.310 116 V C -1.691 174.342 176.094 -0.102 0.000 1.090 116 V CA -0.909 61.347 62.300 -0.073 0.000 0.930 116 V CB 2.191 33.971 31.823 -0.071 0.000 1.014 116 V HN 0.894 nan 8.190 nan 0.000 0.425 117 N N 4.634 123.294 118.700 -0.067 0.000 2.518 117 N HA 0.423 5.163 4.740 0.001 0.000 0.254 117 N C -0.880 174.619 175.510 -0.020 0.000 0.979 117 N CA -0.185 52.830 53.050 -0.058 0.000 0.930 117 N CB 1.913 40.375 38.487 -0.043 0.000 1.152 117 N HN 0.433 nan 8.380 nan 0.000 0.505 118 V N 0.801 120.718 119.914 0.005 0.000 2.407 118 V HA 0.457 4.578 4.120 0.001 0.000 0.278 118 V C 1.157 177.329 176.094 0.130 0.000 1.037 118 V CA -0.952 61.397 62.300 0.082 0.000 0.900 118 V CB 1.231 33.144 31.823 0.150 0.000 0.983 118 V HN 0.633 nan 8.190 nan 0.000 0.459 119 G N 4.097 112.959 108.800 0.103 0.000 2.358 119 G HA2 0.506 4.467 3.960 0.001 0.000 0.273 119 G HA3 0.506 4.467 3.960 0.001 0.000 0.273 119 G C -0.324 174.657 174.900 0.135 0.000 1.215 119 G CA 0.019 45.190 45.100 0.119 0.000 0.910 119 G HN 1.045 nan 8.290 nan 0.000 0.467 120 V N 1.232 121.233 119.914 0.146 0.000 3.040 120 V HA 0.722 4.843 4.120 0.001 0.000 0.312 120 V C -0.312 175.816 176.094 0.057 0.000 1.115 120 V CA -1.464 60.897 62.300 0.101 0.000 0.998 120 V CB 1.889 33.775 31.823 0.105 0.000 1.042 120 V HN 0.535 nan 8.190 nan 0.000 0.433 121 L N 3.181 124.394 121.223 -0.017 0.000 2.276 121 L HA 0.846 5.186 4.340 0.001 0.000 0.286 121 L C 0.416 177.277 176.870 -0.014 0.000 1.061 121 L CA -0.125 54.667 54.840 -0.081 0.000 0.807 121 L CB 1.323 43.300 42.059 -0.138 0.000 1.177 121 L HN 1.056 nan 8.230 nan 0.000 0.429 122 A N 3.073 125.909 122.820 0.026 0.000 2.401 122 A HA 0.853 5.173 4.320 0.001 0.000 0.310 122 A C -0.422 177.204 177.584 0.070 0.000 1.075 122 A CA -0.609 51.467 52.037 0.065 0.000 0.746 122 A CB 1.559 20.642 19.000 0.137 0.000 1.277 122 A HN 0.712 nan 8.150 nan 0.000 0.425 123 A N 0.570 123.447 122.820 0.095 0.000 2.409 123 A HA 0.462 4.782 4.320 0.001 0.000 0.267 123 A C 0.089 177.739 177.584 0.109 0.000 1.127 123 A CA -0.139 51.936 52.037 0.063 0.000 0.795 123 A CB -0.479 18.538 19.000 0.029 0.000 1.061 123 A HN 0.948 nan 8.150 nan 0.000 0.502 124 c N 3.593 122.226 118.600 0.056 0.000 2.416 124 c HA 0.539 5.109 4.570 0.001 0.000 0.355 124 c C 1.187 175.288 174.090 0.018 0.000 1.211 124 c CA -0.036 56.337 56.329 0.073 0.000 1.699 124 c CB -1.442 41.098 42.510 0.050 0.000 2.310 124 c HN 0.907 nan 8.230 nan 0.000 0.539 125 A N 7.101 129.952 122.820 0.052 0.000 2.282 125 A HA 0.855 5.175 4.320 0.001 0.000 0.319 125 A C -2.235 175.335 177.584 -0.023 0.000 1.121 125 A CA -1.202 50.789 52.037 -0.077 0.000 0.836 125 A CB 0.367 19.237 19.000 -0.216 0.000 1.146 125 A HN 0.669 nan 8.150 nan 0.000 0.494 126 P HA 0.146 nan 4.420 nan 0.000 0.275 126 P C 0.562 177.865 177.300 0.005 0.000 1.228 126 P CA -0.104 62.979 63.100 -0.028 0.000 0.786 126 P CB 0.983 32.653 31.700 -0.049 0.000 0.927 127 S N 2.351 118.068 115.700 0.028 0.000 2.407 127 S HA -0.234 4.237 4.470 0.001 0.000 0.235 127 S C 1.597 176.220 174.600 0.037 0.000 1.036 127 S CA 1.818 60.046 58.200 0.046 0.000 1.013 127 S CB -0.755 62.466 63.200 0.035 0.000 0.820 127 S HN 0.687 nan 8.310 nan 0.000 0.476 128 K N 1.514 121.920 120.400 0.011 0.000 2.283 128 K HA 0.050 4.371 4.320 0.001 0.000 0.202 128 K C 1.789 178.391 176.600 0.002 0.000 1.048 128 K CA 0.910 57.199 56.287 0.003 0.000 0.948 128 K CB -0.436 32.058 32.500 -0.011 0.000 0.742 128 K HN 0.309 nan 8.250 nan 0.000 0.458 129 L N 1.308 122.524 121.223 -0.013 0.000 2.456 129 L HA -0.015 4.326 4.340 0.001 0.000 0.224 129 L C 1.874 178.834 176.870 0.149 0.000 1.148 129 L CA 0.546 55.374 54.840 -0.021 0.000 0.825 129 L CB -0.148 41.762 42.059 -0.249 0.000 0.937 129 L HN 0.288 nan 8.230 nan 0.000 0.450 130 L N -0.422 120.889 121.223 0.146 0.000 2.554 130 L HA 0.094 4.434 4.340 0.001 0.000 0.226 130 L C 1.392 178.303 176.870 0.069 0.000 1.137 130 L CA -0.422 54.504 54.840 0.143 0.000 0.863 130 L CB -0.448 41.674 42.059 0.106 0.000 0.985 130 L HN 0.128 nan 8.230 nan 0.000 0.451 131 A N -0.340 122.506 122.820 0.045 0.000 2.540 131 A HA 0.214 4.535 4.320 0.001 0.000 0.239 131 A C 1.290 178.879 177.584 0.010 0.000 1.061 131 A CA 0.746 52.794 52.037 0.018 0.000 0.758 131 A CB 0.172 19.176 19.000 0.007 0.000 0.991 131 A HN 0.393 nan 8.150 nan 0.000 0.502 132 S N -0.599 115.100 115.700 -0.002 0.000 2.691 132 S HA -0.153 4.317 4.470 0.001 0.000 0.262 132 S C 0.344 174.929 174.600 -0.023 0.000 1.284 132 S CA 1.313 59.504 58.200 -0.015 0.000 1.372 132 S CB -2.169 61.018 63.200 -0.022 0.000 1.693 132 S HN 0.713 nan 8.310 nan 0.000 0.647 133 L N 1.838 123.051 121.223 -0.017 0.000 2.439 133 L HA 0.431 4.772 4.340 0.001 0.000 0.259 133 L C -2.034 174.810 176.870 -0.043 0.000 1.129 133 L CA -2.251 52.564 54.840 -0.041 0.000 0.803 133 L CB -0.140 41.890 42.059 -0.048 0.000 1.161 133 L HN -0.090 nan 8.230 nan 0.000 0.462 134 P HA 0.060 nan 4.420 nan 0.000 0.267 134 P C -0.873 176.405 177.300 -0.036 0.000 1.200 134 P CA -0.114 62.954 63.100 -0.052 0.000 0.772 134 P CB 0.351 32.012 31.700 -0.066 0.000 0.855 135 R N 1.853 122.338 120.500 -0.026 0.000 2.585 135 R HA 0.275 4.616 4.340 0.001 0.000 0.275 135 R C 1.477 177.767 176.300 -0.016 0.000 1.018 135 R CA 0.885 56.976 56.100 -0.015 0.000 1.072 135 R CB -0.577 29.718 30.300 -0.010 0.000 0.953 135 R HN 0.878 nan 8.270 nan 0.000 0.419 136 G N 1.565 110.359 108.800 -0.010 0.000 2.234 136 G HA2 -0.312 3.648 3.960 0.001 0.000 0.260 136 G HA3 -0.312 3.648 3.960 0.001 0.000 0.260 136 G C 0.115 175.003 174.900 -0.019 0.000 0.987 136 G CA 0.260 45.355 45.100 -0.009 0.000 0.625 136 G HN 0.563 nan 8.290 nan 0.000 0.532 137 S N 0.599 116.278 115.700 -0.035 0.000 2.565 137 S HA 0.494 4.965 4.470 0.001 0.000 0.276 137 S C 1.353 175.921 174.600 -0.054 0.000 1.326 137 S CA 0.631 58.792 58.200 -0.065 0.000 1.045 137 S CB 1.427 64.566 63.200 -0.102 0.000 0.918 137 S HN 0.976 nan 8.310 nan 0.000 0.505 138 T N -0.715 113.798 114.554 -0.069 0.000 3.044 138 T HA 0.564 4.915 4.350 0.001 0.000 0.260 138 T C 0.688 175.331 174.700 -0.095 0.000 1.019 138 T CA 0.186 62.273 62.100 -0.022 0.000 0.921 138 T CB 0.179 69.070 68.868 0.040 0.000 1.053 138 T HN 0.822 nan 8.240 nan 0.000 0.533 139 G N 0.424 109.015 108.800 -0.348 0.000 2.399 139 G HA2 0.441 4.402 3.960 0.001 0.000 0.256 139 G HA3 0.441 4.402 3.960 0.001 0.000 0.256 139 G C -2.137 172.132 174.900 -1.052 0.000 1.236 139 G CA -0.204 44.353 45.100 -0.904 0.000 0.914 139 G HN 0.360 nan 8.290 nan 0.000 0.482 140 V N 0.606 119.650 119.914 -1.451 0.000 2.588 140 V HA 0.727 4.848 4.120 0.001 0.000 0.304 140 V C 0.237 175.878 176.094 -0.756 0.000 1.042 140 V CA -0.141 61.554 62.300 -1.007 0.000 0.877 140 V CB 1.523 32.734 31.823 -1.020 0.000 0.996 140 V HN 1.660 nan 8.190 nan 0.000 0.425 141 A N 3.399 125.887 122.820 -0.554 0.000 2.366 141 A HA 0.690 5.010 4.320 0.001 0.000 0.322 141 A C 0.652 178.023 177.584 -0.355 0.000 1.397 141 A CA 0.017 51.756 52.037 -0.497 0.000 0.984 141 A CB 0.073 18.762 19.000 -0.518 0.000 1.149 141 A HN 1.113 nan 8.150 nan 0.000 0.540 142 G N 1.222 109.852 108.800 -0.284 0.000 2.378 142 G HA2 0.459 4.419 3.960 0.001 0.000 0.255 142 G HA3 0.459 4.419 3.960 0.001 0.000 0.255 142 G C 0.244 175.013 174.900 -0.218 0.000 1.270 142 G CA -0.361 44.632 45.100 -0.178 0.000 0.876 142 G HN 0.724 nan 8.290 nan 0.000 0.521 143 L N 2.037 123.130 121.223 -0.216 0.000 3.066 143 L HA 0.297 4.638 4.340 0.001 0.000 0.265 143 L C 1.475 178.340 176.870 -0.008 0.000 1.232 143 L CA -0.403 54.248 54.840 -0.315 0.000 1.031 143 L CB -0.046 41.599 42.059 -0.690 0.000 1.379 143 L HN 0.607 nan 8.230 nan 0.000 0.563 144 A N 0.184 123.026 122.820 0.036 0.000 2.310 144 A HA 0.070 4.390 4.320 0.001 0.000 0.260 144 A C 0.448 178.054 177.584 0.037 0.000 1.112 144 A CA -0.191 51.884 52.037 0.063 0.000 0.804 144 A CB 0.056 18.990 19.000 -0.109 0.000 1.081 144 A HN 0.458 nan 8.150 nan 0.000 0.499 145 N N 0.101 118.698 118.700 -0.171 0.000 2.968 145 N HA 0.243 4.984 4.740 0.001 0.000 0.271 145 N C -0.368 175.104 175.510 -0.063 0.000 1.174 145 N CA 0.171 53.174 53.050 -0.078 0.000 1.096 145 N CB -0.093 38.301 38.487 -0.154 0.000 1.403 145 N HN 0.687 nan 8.380 nan 0.000 0.522 146 S N -0.075 115.637 115.700 0.019 0.000 2.595 146 S HA 0.451 4.922 4.470 0.001 0.000 0.281 146 S C 1.108 175.786 174.600 0.131 0.000 1.117 146 S CA -0.750 57.531 58.200 0.136 0.000 0.873 146 S CB 1.369 64.636 63.200 0.112 0.000 1.108 146 S HN 0.217 nan 8.310 nan 0.000 0.477 147 G N 0.133 109.024 108.800 0.151 0.000 2.443 147 G HA2 0.075 4.035 3.960 0.001 0.000 0.219 147 G HA3 0.075 4.035 3.960 0.001 0.000 0.219 147 G C 0.821 175.760 174.900 0.065 0.000 1.131 147 G CA 0.313 45.471 45.100 0.097 0.000 0.775 147 G HN 0.669 nan 8.290 nan 0.000 0.547 148 L N 0.647 121.907 121.223 0.062 0.000 2.769 148 L HA 0.403 4.743 4.340 0.001 0.000 0.240 148 L C 1.442 178.311 176.870 -0.002 0.000 1.163 148 L CA -0.557 54.299 54.840 0.027 0.000 0.962 148 L CB 0.157 42.233 42.059 0.028 0.000 1.258 148 L HN 0.203 nan 8.230 nan 0.000 0.513 149 A N 0.088 122.909 122.820 0.002 0.000 2.429 149 A HA 0.048 4.369 4.320 0.001 0.000 0.242 149 A C 1.117 178.633 177.584 -0.113 0.000 1.088 149 A CA -0.205 51.799 52.037 -0.056 0.000 0.784 149 A CB 0.457 19.437 19.000 -0.033 0.000 1.038 149 A HN 0.197 nan 8.150 nan 0.000 0.501 150 L N 1.612 122.695 121.223 -0.234 0.000 2.042 150 L HA -0.040 4.301 4.340 0.001 0.000 0.210 150 L C -0.815 175.884 176.870 -0.284 0.000 1.076 150 L CA 2.543 57.159 54.840 -0.374 0.000 0.749 150 L CB -1.284 40.368 42.059 -0.680 0.000 0.893 150 L HN 0.532 nan 8.230 nan 0.000 0.432 151 P HA -0.129 nan 4.420 nan 0.000 0.216 151 P C 1.560 178.938 177.300 0.129 0.000 1.153 151 P CA 1.991 65.173 63.100 0.138 0.000 0.848 151 P CB -0.212 31.686 31.700 0.330 0.000 0.787 152 A N -0.162 122.714 122.820 0.093 0.000 1.902 152 A HA -0.255 4.065 4.320 0.001 0.000 0.217 152 A C 2.266 179.888 177.584 0.063 0.000 1.181 152 A CA 1.579 53.671 52.037 0.092 0.000 0.623 152 A CB -1.318 17.732 19.000 0.083 0.000 0.818 152 A HN 0.199 nan 8.150 nan 0.000 0.443 153 Q N -0.551 119.261 119.800 0.021 0.000 2.119 153 Q HA -0.087 4.254 4.340 0.001 0.000 0.201 153 Q C 2.152 178.180 176.000 0.047 0.000 0.972 153 Q CA 1.492 57.308 55.803 0.020 0.000 0.847 153 Q CB -0.305 28.423 28.738 -0.016 0.000 0.903 153 Q HN 0.512 nan 8.270 nan 0.000 0.433 154 V N 1.145 121.087 119.914 0.046 0.000 2.407 154 V HA -0.268 3.853 4.120 0.001 0.000 0.248 154 V C 2.321 178.487 176.094 0.120 0.000 1.055 154 V CA 1.742 64.106 62.300 0.107 0.000 1.049 154 V CB -0.967 30.947 31.823 0.151 0.000 0.662 154 V HN 0.358 nan 8.190 nan 0.000 0.455 155 A N 0.928 123.821 122.820 0.122 0.000 1.883 155 A HA -0.237 4.083 4.320 0.001 0.000 0.217 155 A C 2.575 180.214 177.584 0.091 0.000 1.186 155 A CA 2.539 54.647 52.037 0.118 0.000 0.624 155 A CB -0.827 18.247 19.000 0.124 0.000 0.822 155 A HN 0.688 nan 8.150 nan 0.000 0.444 156 S N -0.065 115.683 115.700 0.080 0.000 2.383 156 S HA 0.113 4.584 4.470 0.001 0.000 0.227 156 S C 2.091 176.730 174.600 0.065 0.000 1.026 156 S CA 1.282 59.522 58.200 0.067 0.000 0.981 156 S CB -0.611 62.625 63.200 0.060 0.000 0.818 156 S HN 0.878 nan 8.310 nan 0.000 0.472 157 A N 1.158 124.021 122.820 0.072 0.000 1.897 157 A HA 0.076 4.396 4.320 0.001 0.000 0.215 157 A C 2.267 179.890 177.584 0.064 0.000 1.181 157 A CA 1.027 53.106 52.037 0.070 0.000 0.620 157 A CB -0.387 18.662 19.000 0.081 0.000 0.821 157 A HN 0.493 nan 8.150 nan 0.000 0.443 158 Q N -0.517 119.327 119.800 0.074 0.000 2.319 158 Q HA 0.067 4.408 4.340 0.001 0.000 0.202 158 Q C -0.553 175.484 176.000 0.062 0.000 0.896 158 Q CA 0.134 55.977 55.803 0.067 0.000 0.942 158 Q CB 0.344 29.130 28.738 0.081 0.000 1.083 158 Q HN 0.573 nan 8.270 nan 0.000 0.510 159 K N 0.269 120.707 120.400 0.063 0.000 3.257 159 K HA -0.155 4.166 4.320 0.001 0.000 0.270 159 K C 0.182 176.819 176.600 0.061 0.000 0.984 159 K CA 0.755 57.076 56.287 0.057 0.000 0.739 159 K CB -2.715 29.812 32.500 0.045 0.000 1.351 159 K HN 0.242 nan 8.250 nan 0.000 0.463 160 V N -4.017 115.944 119.914 0.078 0.000 3.139 160 V HA 0.886 5.006 4.120 0.001 0.000 0.310 160 V C 0.233 176.385 176.094 0.098 0.000 1.260 160 V CA -0.635 61.717 62.300 0.085 0.000 1.064 160 V CB 1.925 33.808 31.823 0.100 0.000 1.160 160 V HN 0.306 nan 8.190 nan 0.000 0.470 161 A N 0.659 123.544 122.820 0.107 0.000 2.354 161 A HA 0.390 4.710 4.320 0.001 0.000 0.269 161 A C 0.365 178.041 177.584 0.154 0.000 1.109 161 A CA -0.330 51.775 52.037 0.113 0.000 0.800 161 A CB -0.315 18.746 19.000 0.101 0.000 1.045 161 A HN 0.965 nan 8.150 nan 0.000 0.489 162 N N 1.577 120.367 118.700 0.151 0.000 2.671 162 N HA 0.198 4.939 4.740 0.001 0.000 0.274 162 N C -0.251 175.394 175.510 0.225 0.000 1.188 162 N CA 0.064 53.229 53.050 0.191 0.000 1.065 162 N CB -0.069 38.514 38.487 0.160 0.000 1.415 162 N HN 0.630 nan 8.380 nan 0.000 0.511 163 R N 3.149 123.817 120.500 0.280 0.000 2.736 163 R HA 0.182 4.523 4.340 0.001 0.000 0.250 163 R C -1.890 174.602 176.300 0.320 0.000 1.098 163 R CA -0.579 55.660 56.100 0.231 0.000 0.978 163 R CB 0.651 31.039 30.300 0.146 0.000 1.263 163 R HN 0.291 nan 8.270 nan 0.000 0.460 164 F N 2.391 122.424 119.950 0.139 0.000 2.626 164 F HA 0.688 5.215 4.527 0.001 0.000 0.311 164 F C -2.008 173.813 175.800 0.035 0.000 1.088 164 F CA -1.238 56.766 58.000 0.008 0.000 0.949 164 F CB 1.534 40.479 39.000 -0.091 0.000 1.322 164 F HN 0.377 nan 8.300 nan 0.000 0.461 165 L N 3.484 124.764 121.223 0.094 0.000 2.341 165 L HA 0.723 5.064 4.340 0.001 0.000 0.278 165 L C -1.771 175.180 176.870 0.135 0.000 1.005 165 L CA -0.664 54.232 54.840 0.094 0.000 0.818 165 L CB 1.710 43.809 42.059 0.067 0.000 1.259 165 L HN 0.784 nan 8.230 nan 0.000 0.418 166 L N 5.002 126.344 121.223 0.197 0.000 2.365 166 L HA 0.488 4.828 4.340 0.001 0.000 0.273 166 L C -1.069 175.884 176.870 0.140 0.000 1.000 166 L CA -0.620 54.311 54.840 0.151 0.000 0.819 166 L CB 2.020 44.181 42.059 0.170 0.000 1.284 166 L HN 0.655 nan 8.230 nan 0.000 0.418 167 c N 5.300 123.957 118.600 0.094 0.000 2.814 167 c HA 0.440 5.011 4.570 0.001 0.000 0.269 167 c C 0.068 174.148 174.090 -0.018 0.000 1.090 167 c CA -0.625 55.726 56.329 0.036 0.000 1.492 167 c CB -0.596 41.913 42.510 -0.001 0.000 1.825 167 c HN 0.631 nan 8.230 nan 0.000 0.442 168 L N 7.200 128.386 121.223 -0.061 0.000 2.410 168 L HA 0.375 4.716 4.340 0.001 0.000 0.273 168 L C -1.761 175.085 176.870 -0.041 0.000 1.152 168 L CA -0.976 53.776 54.840 -0.146 0.000 0.855 168 L CB 0.755 42.545 42.059 -0.448 0.000 1.129 168 L HN 0.420 nan 8.230 nan 0.000 0.463 169 P HA 0.163 nan 4.420 nan 0.000 0.287 169 P C 0.260 177.636 177.300 0.126 0.000 1.270 169 P CA -0.576 62.559 63.100 0.059 0.000 0.844 169 P CB 1.555 33.293 31.700 0.063 0.000 1.068 170 T N -1.135 113.460 114.554 0.068 0.000 2.985 170 T HA 0.302 4.652 4.350 0.001 0.000 0.266 170 T C 0.912 175.643 174.700 0.051 0.000 1.076 170 T CA 0.725 62.867 62.100 0.069 0.000 1.135 170 T CB -0.602 68.283 68.868 0.027 0.000 0.890 170 T HN 0.696 nan 8.240 nan 0.000 0.480 171 G N -1.366 107.455 108.800 0.034 0.000 2.579 171 G HA2 0.569 4.529 3.960 0.001 0.000 0.292 171 G HA3 0.569 4.529 3.960 0.001 0.000 0.292 171 G C -0.144 174.766 174.900 0.016 0.000 1.484 171 G CA -0.072 45.042 45.100 0.024 0.000 0.813 171 G HN 1.093 nan 8.290 nan 0.000 0.515 172 G N 0.138 108.949 108.800 0.018 0.000 2.829 172 G HA2 0.163 4.123 3.960 0.001 0.000 0.628 172 G HA3 0.163 4.123 3.960 0.001 0.000 0.628 172 G C -2.737 172.182 174.900 0.032 0.000 1.412 172 G CA -0.132 44.979 45.100 0.018 0.000 0.864 172 G HN 0.988 nan 8.290 nan 0.000 0.544 173 P HA 0.439 nan 4.420 nan 0.000 0.286 173 P C 0.873 178.201 177.300 0.046 0.000 1.321 173 P CA 0.832 63.963 63.100 0.051 0.000 0.790 173 P CB 0.880 32.613 31.700 0.055 0.000 0.897 174 G N 2.624 111.457 108.800 0.055 0.000 2.494 174 G HA2 0.463 4.424 3.960 0.001 0.000 0.270 174 G HA3 0.463 4.424 3.960 0.001 0.000 0.270 174 G C -0.854 174.097 174.900 0.085 0.000 1.423 174 G CA -0.435 44.691 45.100 0.043 0.000 1.055 174 G HN 0.368 nan 8.290 nan 0.000 0.536 175 V N -0.424 119.549 119.914 0.099 0.000 2.709 175 V HA 0.710 4.831 4.120 0.001 0.000 0.308 175 V C -0.130 176.025 176.094 0.103 0.000 1.062 175 V CA -0.543 61.849 62.300 0.155 0.000 0.901 175 V CB 1.438 33.450 31.823 0.316 0.000 1.003 175 V HN 1.147 nan 8.190 nan 0.000 0.425 176 A N 5.630 128.485 122.820 0.058 0.000 2.359 176 A HA 0.940 5.260 4.320 0.001 0.000 0.303 176 A C -1.095 176.377 177.584 -0.187 0.000 1.066 176 A CA -0.432 51.536 52.037 -0.114 0.000 0.730 176 A CB 1.055 19.973 19.000 -0.137 0.000 1.211 176 A HN 0.754 nan 8.150 nan 0.000 0.439 177 I N 2.030 122.419 120.570 -0.301 0.000 2.447 177 I HA 0.388 4.559 4.170 0.001 0.000 0.287 177 I C -1.449 174.497 176.117 -0.285 0.000 1.023 177 I CA -0.291 60.902 61.300 -0.177 0.000 1.083 177 I CB 1.839 39.814 38.000 -0.041 0.000 1.245 177 I HN 0.562 nan 8.210 nan 0.000 0.434 178 F N 4.331 124.396 119.950 0.193 0.000 2.361 178 F HA 0.611 5.138 4.527 0.001 0.000 0.364 178 F C 1.047 176.945 175.800 0.164 0.000 1.117 178 F CA -0.495 57.627 58.000 0.205 0.000 1.071 178 F CB 1.574 40.694 39.000 0.200 0.000 1.188 178 F HN 0.687 nan 8.300 nan 0.000 0.464 179 G N 1.036 110.006 108.800 0.283 0.000 2.273 179 G HA2 0.320 4.280 3.960 0.001 0.000 0.162 179 G HA3 0.320 4.280 3.960 0.001 0.000 0.162 179 G C 0.466 175.445 174.900 0.132 0.000 1.006 179 G CA -0.144 45.078 45.100 0.202 0.000 0.704 179 G HN 1.479 nan 8.290 nan 0.000 0.487 180 G N -0.350 108.517 108.800 0.111 0.000 2.496 180 G HA2 0.464 4.425 3.960 0.001 0.000 0.243 180 G HA3 0.464 4.425 3.960 0.001 0.000 0.243 180 G C 1.330 176.252 174.900 0.036 0.000 1.176 180 G CA 1.579 46.722 45.100 0.071 0.000 0.940 180 G HN 2.706 nan 8.290 nan 0.000 0.573 181 G N -0.982 107.833 108.800 0.025 0.000 2.756 181 G HA2 0.368 4.329 3.960 0.001 0.000 0.678 181 G HA3 0.368 4.329 3.960 0.001 0.000 0.678 181 G C -1.753 173.141 174.900 -0.010 0.000 1.349 181 G CA 0.546 45.646 45.100 0.001 0.000 0.847 181 G HN 1.592 nan 8.290 nan 0.000 0.548 182 P HA 0.368 nan 4.420 nan 0.000 0.265 182 P C 0.499 177.766 177.300 -0.056 0.000 1.193 182 P CA -0.295 62.787 63.100 -0.030 0.000 0.765 182 P CB 0.652 32.328 31.700 -0.040 0.000 0.823 183 V N 6.003 125.901 119.914 -0.026 0.000 2.540 183 V HA 0.040 4.161 4.120 0.001 0.000 0.297 183 V C -1.284 174.735 176.094 -0.125 0.000 1.024 183 V CA -0.668 61.607 62.300 -0.043 0.000 1.105 183 V CB -0.294 31.550 31.823 0.034 0.000 0.938 183 V HN 0.663 nan 8.190 nan 0.000 0.482 184 P HA 0.087 nan 4.420 nan 0.000 0.275 184 P C -0.284 176.851 177.300 -0.274 0.000 1.266 184 P CA -0.381 62.380 63.100 -0.565 0.000 0.793 184 P CB 0.303 31.231 31.700 -1.287 0.000 1.074 185 W N -2.640 118.661 121.300 0.001 0.000 5.820 185 W HA -0.090 4.571 4.660 0.001 0.000 0.415 185 W C -1.753 174.713 176.519 -0.087 0.000 1.627 185 W CA -0.157 57.173 57.345 -0.025 0.000 0.991 185 W CB -2.717 26.821 29.460 0.129 0.000 2.842 185 W HN 0.426 nan 8.180 nan 0.000 1.416 186 P HA -0.255 nan 4.420 nan 0.000 0.225 186 P C 1.952 179.211 177.300 -0.069 0.000 1.148 186 P CA 2.161 65.254 63.100 -0.012 0.000 0.779 186 P CB 0.084 31.762 31.700 -0.036 0.000 0.780 187 Q N -0.732 118.947 119.800 -0.202 0.000 2.234 187 Q HA -0.146 4.194 4.340 0.001 0.000 0.206 187 Q C 1.171 176.980 176.000 -0.318 0.000 0.980 187 Q CA 1.557 57.151 55.803 -0.348 0.000 0.869 187 Q CB -0.962 27.434 28.738 -0.571 0.000 0.912 187 Q HN 0.240 nan 8.270 nan 0.000 0.436 188 F N 1.106 121.090 119.950 0.056 0.000 2.653 188 F HA 0.164 4.692 4.527 0.001 0.000 0.288 188 F C 2.024 177.807 175.800 -0.028 0.000 1.121 188 F CA 1.006 59.000 58.000 -0.010 0.000 1.384 188 F CB -0.034 38.939 39.000 -0.044 0.000 1.115 188 F HN 0.228 nan 8.300 nan 0.000 0.599 189 T N -2.611 112.036 114.554 0.154 0.000 3.040 189 T HA 0.044 4.394 4.350 0.001 0.000 0.266 189 T C 1.451 176.165 174.700 0.023 0.000 1.005 189 T CA -0.013 62.132 62.100 0.076 0.000 0.906 189 T CB -0.291 68.651 68.868 0.123 0.000 1.082 189 T HN 0.372 nan 8.240 nan 0.000 0.531 190 Q N 1.517 121.327 119.800 0.017 0.000 2.234 190 Q HA -0.003 4.337 4.340 0.001 0.000 0.206 190 Q C 1.109 177.110 176.000 0.002 0.000 0.980 190 Q CA 1.378 57.185 55.803 0.006 0.000 0.869 190 Q CB -0.429 28.306 28.738 -0.005 0.000 0.912 190 Q HN 0.434 nan 8.270 nan 0.000 0.436 191 S N 0.638 116.327 115.700 -0.017 0.000 2.624 191 S HA 0.258 4.728 4.470 0.001 0.000 0.246 191 S C -0.039 174.510 174.600 -0.086 0.000 1.072 191 S CA -0.568 57.613 58.200 -0.032 0.000 1.045 191 S CB 0.168 63.349 63.200 -0.033 0.000 0.851 191 S HN 0.411 nan 8.310 nan 0.000 0.480 192 M N 4.553 124.088 119.600 -0.108 0.000 2.290 192 M HA 0.077 4.557 4.480 0.001 0.000 0.356 192 M C -2.361 173.735 176.300 -0.340 0.000 1.448 192 M CA -0.585 54.554 55.300 -0.269 0.000 0.993 192 M CB 0.433 32.865 32.600 -0.281 0.000 1.934 192 M HN -0.009 nan 8.290 nan 0.000 0.461 193 P HA 0.198 nan 4.420 nan 0.000 0.274 193 P C -1.881 175.040 177.300 -0.633 0.000 1.231 193 P CA 0.136 62.923 63.100 -0.522 0.000 0.790 193 P CB 0.479 31.720 31.700 -0.765 0.000 0.951 194 Y N -0.932 119.311 120.300 -0.095 0.000 2.536 194 Y HA 0.554 5.105 4.550 0.001 0.000 0.347 194 Y C 0.742 176.798 175.900 0.260 0.000 1.000 194 Y CA -0.365 57.799 58.100 0.107 0.000 1.051 194 Y CB 2.587 41.076 38.460 0.047 0.000 1.259 194 Y HN 0.268 nan 8.280 nan 0.000 0.468 195 T N 3.364 118.199 114.554 0.469 0.000 2.909 195 T HA 0.515 4.866 4.350 0.001 0.000 0.299 195 T C -3.010 171.814 174.700 0.206 0.000 1.073 195 T CA -2.432 59.849 62.100 0.302 0.000 0.999 195 T CB 1.431 70.452 68.868 0.255 0.000 1.098 195 T HN 0.191 nan 8.240 nan 0.000 0.477 196 P HA 0.243 nan 4.420 nan 0.000 0.268 196 P C -0.703 176.661 177.300 0.106 0.000 1.205 196 P CA -0.186 62.981 63.100 0.112 0.000 0.771 196 P CB 0.333 32.084 31.700 0.085 0.000 0.858 197 L N 2.981 124.272 121.223 0.113 0.000 2.319 197 L HA 0.243 4.584 4.340 0.001 0.000 0.280 197 L C -0.076 176.865 176.870 0.120 0.000 1.099 197 L CA -0.563 54.355 54.840 0.130 0.000 0.828 197 L CB 0.804 42.962 42.059 0.165 0.000 1.150 197 L HN 0.087 nan 8.230 nan 0.000 0.442 198 V N 2.661 122.658 119.914 0.139 0.000 2.370 198 V HA 0.235 4.355 4.120 0.001 0.000 0.279 198 V C 0.338 176.515 176.094 0.138 0.000 1.029 198 V CA -0.509 61.856 62.300 0.109 0.000 0.870 198 V CB 1.560 33.431 31.823 0.081 0.000 0.984 198 V HN 0.708 nan 8.190 nan 0.000 0.451 199 T N 6.169 120.774 114.554 0.084 0.000 2.780 199 T HA 0.313 4.663 4.350 0.001 0.000 0.294 199 T C -0.043 174.665 174.700 0.015 0.000 0.949 199 T CA -0.327 61.820 62.100 0.078 0.000 1.074 199 T CB 0.310 69.217 68.868 0.064 0.000 0.910 199 T HN 0.510 nan 8.240 nan 0.000 0.501 200 K N 2.106 122.498 120.400 -0.013 0.000 2.206 200 K HA 0.458 4.779 4.320 0.001 0.000 0.264 200 K C 0.736 177.331 176.600 -0.008 0.000 0.967 200 K CA -0.741 55.478 56.287 -0.114 0.000 0.844 200 K CB 1.704 33.966 32.500 -0.396 0.000 1.099 200 K HN 0.742 nan 8.250 nan 0.000 0.441 201 G N 0.345 109.140 108.800 -0.008 0.000 2.265 201 G HA2 0.240 4.201 3.960 0.001 0.000 0.240 201 G HA3 0.240 4.201 3.960 0.001 0.000 0.240 201 G C 0.951 175.885 174.900 0.057 0.000 1.270 201 G CA 0.651 45.770 45.100 0.031 0.000 0.901 201 G HN 0.825 nan 8.290 nan 0.000 0.507 202 G N 0.313 109.187 108.800 0.123 0.000 2.179 202 G HA2 -0.152 3.809 3.960 0.001 0.000 0.260 202 G HA3 -0.152 3.809 3.960 0.001 0.000 0.260 202 G C 0.532 175.571 174.900 0.232 0.000 0.977 202 G CA 0.924 46.114 45.100 0.151 0.000 0.641 202 G HN 1.690 nan 8.290 nan 0.000 0.533 203 S N 0.172 115.992 115.700 0.201 0.000 2.538 203 S HA 0.749 5.220 4.470 0.001 0.000 0.288 203 S C -1.678 172.835 174.600 -0.145 0.000 1.108 203 S CA -0.645 57.608 58.200 0.089 0.000 0.971 203 S CB 2.349 65.656 63.200 0.179 0.000 1.041 203 S HN 0.025 nan 8.310 nan 0.000 0.483 204 P HA 0.284 nan 4.420 nan 0.000 0.261 204 P C 0.248 177.311 177.300 -0.395 0.000 1.268 204 P CA -0.004 62.649 63.100 -0.744 0.000 0.833 204 P CB -0.004 31.006 31.700 -1.152 0.000 1.231 205 A N 0.518 123.189 122.820 -0.249 0.000 2.346 205 A HA 0.203 4.523 4.320 0.001 0.000 0.252 205 A C -0.453 176.854 177.584 -0.462 0.000 1.089 205 A CA -0.131 51.706 52.037 -0.334 0.000 0.797 205 A CB -0.544 18.206 19.000 -0.417 0.000 1.047 205 A HN 0.201 nan 8.150 nan 0.000 0.494 206 H N -0.415 118.489 119.070 -0.277 0.000 2.652 206 H HA 0.478 5.034 4.556 0.001 0.000 0.298 206 H C -1.394 173.722 175.328 -0.352 0.000 1.076 206 H CA 0.741 56.724 56.048 -0.107 0.000 1.360 206 H CB 0.253 30.128 29.762 0.189 0.000 1.421 206 H HN 0.539 nan 8.280 nan 0.000 0.464 207 Y N 2.982 123.341 120.300 0.098 0.000 2.446 207 Y HA 0.426 4.976 4.550 0.001 0.000 0.345 207 Y C 0.339 176.249 175.900 0.016 0.000 0.984 207 Y CA -1.103 57.017 58.100 0.033 0.000 1.058 207 Y CB 1.399 39.862 38.460 0.004 0.000 1.220 207 Y HN 0.494 nan 8.280 nan 0.000 0.455 208 I N -1.966 118.678 120.570 0.124 0.000 3.322 208 I HA 0.837 5.007 4.170 0.001 0.000 0.313 208 I C -1.015 175.119 176.117 0.029 0.000 1.129 208 I CA -1.146 60.182 61.300 0.046 0.000 0.963 208 I CB 2.538 40.508 38.000 -0.050 0.000 1.273 208 I HN 0.366 nan 8.210 nan 0.000 0.473 209 S N 1.634 117.340 115.700 0.010 0.000 2.552 209 S HA 0.756 5.227 4.470 0.001 0.000 0.314 209 S C -0.319 174.276 174.600 -0.008 0.000 1.099 209 S CA -0.616 57.588 58.200 0.006 0.000 1.070 209 S CB 1.463 64.676 63.200 0.021 0.000 0.998 209 S HN 0.850 nan 8.310 nan 0.000 0.474 210 A N 2.852 125.659 122.820 -0.021 0.000 2.301 210 A HA 0.679 4.999 4.320 0.001 0.000 0.312 210 A C 0.725 178.309 177.584 0.000 0.000 1.182 210 A CA -0.638 51.389 52.037 -0.017 0.000 0.826 210 A CB 0.525 19.500 19.000 -0.041 0.000 1.134 210 A HN 0.656 nan 8.150 nan 0.000 0.501 211 R N 0.680 121.189 120.500 0.015 0.000 2.254 211 R HA 0.178 4.519 4.340 0.001 0.000 0.193 211 R C 0.247 176.556 176.300 0.014 0.000 0.929 211 R CA 1.010 57.120 56.100 0.017 0.000 1.038 211 R CB -0.546 29.770 30.300 0.026 0.000 1.009 211 R HN 0.840 nan 8.270 nan 0.000 0.512 212 S N -0.619 115.092 115.700 0.018 0.000 2.579 212 S HA 0.704 5.174 4.470 0.001 0.000 0.272 212 S C -0.588 174.021 174.600 0.015 0.000 1.141 212 S CA -0.902 57.308 58.200 0.016 0.000 0.843 212 S CB 1.969 65.184 63.200 0.026 0.000 1.122 212 S HN -0.004 nan 8.310 nan 0.000 0.468 213 I N 1.311 121.884 120.570 0.005 0.000 2.545 213 I HA 0.644 4.814 4.170 0.001 0.000 0.292 213 I C -1.239 174.885 176.117 0.012 0.000 1.040 213 I CA -1.007 60.294 61.300 0.002 0.000 1.068 213 I CB 2.255 40.232 38.000 -0.038 0.000 1.251 213 I HN 0.515 nan 8.210 nan 0.000 0.424 214 V N 6.389 126.324 119.914 0.035 0.000 2.638 214 V HA 0.449 4.570 4.120 0.001 0.000 0.306 214 V C -0.458 175.672 176.094 0.060 0.000 1.052 214 V CA -0.721 61.604 62.300 0.042 0.000 0.885 214 V CB 2.410 34.264 31.823 0.052 0.000 0.999 214 V HN 0.381 nan 8.190 nan 0.000 0.424 215 V N 4.501 124.445 119.914 0.049 0.000 2.417 215 V HA 0.770 4.891 4.120 0.001 0.000 0.291 215 V C 1.112 177.229 176.094 0.037 0.000 1.024 215 V CA 0.835 63.176 62.300 0.069 0.000 0.861 215 V CB 0.668 32.534 31.823 0.072 0.000 0.985 215 V HN 1.256 nan 8.190 nan 0.000 0.436 216 G N 4.468 113.290 108.800 0.037 0.000 2.686 216 G HA2 -0.312 3.648 3.960 0.001 0.000 0.329 216 G HA3 -0.312 3.648 3.960 0.001 0.000 0.329 216 G C 0.552 175.466 174.900 0.023 0.000 1.187 216 G CA 0.868 45.978 45.100 0.016 0.000 0.965 216 G HN 0.651 nan 8.290 nan 0.000 0.549 217 D N 1.232 121.640 120.400 0.013 0.000 2.469 217 D HA 0.238 4.879 4.640 0.001 0.000 0.213 217 D C 0.872 177.181 176.300 0.015 0.000 1.135 217 D CA 0.985 54.995 54.000 0.016 0.000 0.834 217 D CB 0.537 41.342 40.800 0.009 0.000 1.009 217 D HN 0.650 nan 8.370 nan 0.000 0.507 218 T N -1.388 113.174 114.554 0.013 0.000 2.779 218 T HA 0.369 4.720 4.350 0.001 0.000 0.280 218 T C 0.105 174.812 174.700 0.012 0.000 0.987 218 T CA -0.801 61.304 62.100 0.010 0.000 0.966 218 T CB 2.394 71.263 68.868 0.003 0.000 0.933 218 T HN -0.149 nan 8.240 nan 0.000 0.442 219 R N 2.529 123.035 120.500 0.011 0.000 2.570 219 R HA 0.284 4.624 4.340 0.001 0.000 0.277 219 R C -0.452 175.848 176.300 0.001 0.000 1.039 219 R CA -0.274 55.832 56.100 0.009 0.000 1.065 219 R CB 0.371 30.676 30.300 0.010 0.000 0.964 219 R HN 0.617 nan 8.270 nan 0.000 0.428 220 V N 7.699 127.609 119.914 -0.006 0.000 2.408 220 V HA 0.171 4.291 4.120 0.001 0.000 0.267 220 V C -1.685 174.399 176.094 -0.018 0.000 1.047 220 V CA -1.443 60.845 62.300 -0.019 0.000 0.937 220 V CB 1.064 32.863 31.823 -0.039 0.000 0.999 220 V HN 0.793 nan 8.190 nan 0.000 0.472 221 P HA 0.252 nan 4.420 nan 0.000 0.271 221 P C -0.695 176.596 177.300 -0.015 0.000 1.220 221 P CA 0.175 63.268 63.100 -0.011 0.000 0.768 221 P CB 1.330 33.025 31.700 -0.008 0.000 0.848 222 V N 1.221 121.127 119.914 -0.012 0.000 3.001 222 V HA 0.684 4.804 4.120 0.001 0.000 0.314 222 V C -2.627 173.464 176.094 -0.006 0.000 1.099 222 V CA -2.724 59.570 62.300 -0.012 0.000 0.989 222 V CB 0.850 32.664 31.823 -0.015 0.000 1.040 222 V HN 0.281 nan 8.190 nan 0.000 0.434 223 P HA 0.232 nan 4.420 nan 0.000 0.270 223 P C -0.474 176.825 177.300 -0.002 0.000 1.223 223 P CA -0.075 63.024 63.100 -0.001 0.000 0.785 223 P CB 0.277 31.978 31.700 0.001 0.000 0.923 224 E N 0.840 121.039 120.200 -0.001 0.000 2.558 224 E HA 0.234 4.585 4.350 0.001 0.000 0.255 224 E C 1.305 177.904 176.600 -0.002 0.000 0.968 224 E CA 1.568 57.968 56.400 -0.001 0.000 0.939 224 E CB -0.808 28.891 29.700 -0.001 0.000 0.921 224 E HN 0.704 nan 8.360 nan 0.000 0.477 225 G N 3.067 111.865 108.800 -0.003 0.000 2.189 225 G HA2 -0.369 3.592 3.960 0.001 0.000 0.267 225 G HA3 -0.369 3.592 3.960 0.001 0.000 0.267 225 G C 1.074 175.970 174.900 -0.005 0.000 0.975 225 G CA 0.764 45.861 45.100 -0.004 0.000 0.644 225 G HN 0.883 nan 8.290 nan 0.000 0.537 226 A N -0.671 122.146 122.820 -0.004 0.000 1.933 226 A HA 0.381 4.702 4.320 0.001 0.000 0.218 226 A C 1.335 178.915 177.584 -0.007 0.000 1.175 226 A CA 1.404 53.438 52.037 -0.005 0.000 0.628 226 A CB -0.037 18.961 19.000 -0.004 0.000 0.814 226 A HN 0.877 nan 8.150 nan 0.000 0.444 227 L N 0.021 121.240 121.223 -0.007 0.000 2.295 227 L HA 0.629 4.970 4.340 0.001 0.000 0.281 227 L C 0.022 176.889 176.870 -0.006 0.000 1.018 227 L CA -0.473 54.362 54.840 -0.008 0.000 0.841 227 L CB 1.332 43.386 42.059 -0.008 0.000 1.218 227 L HN 0.296 nan 8.230 nan 0.000 0.424 228 A N 1.970 124.784 122.820 -0.009 0.000 2.485 228 A HA 0.755 5.076 4.320 0.001 0.000 0.292 228 A C -0.195 177.381 177.584 -0.013 0.000 1.147 228 A CA -0.559 51.471 52.037 -0.012 0.000 0.750 228 A CB 1.311 20.300 19.000 -0.018 0.000 1.331 228 A HN 0.451 nan 8.150 nan 0.000 0.419 229 T N 1.066 115.612 114.554 -0.014 0.000 2.871 229 T HA 0.402 4.753 4.350 0.001 0.000 0.296 229 T C 1.351 176.034 174.700 -0.029 0.000 0.998 229 T CA 1.819 63.912 62.100 -0.011 0.000 1.162 229 T CB 0.137 68.999 68.868 -0.010 0.000 0.947 229 T HN 2.174 nan 8.240 nan 0.000 0.536 230 G N 2.758 111.554 108.800 -0.007 0.000 2.179 230 G HA2 -0.240 3.721 3.960 0.001 0.000 0.257 230 G HA3 -0.240 3.721 3.960 0.001 0.000 0.257 230 G C 0.983 175.881 174.900 -0.004 0.000 1.010 230 G CA 0.184 45.279 45.100 -0.008 0.000 0.736 230 G HN 1.128 nan 8.290 nan 0.000 0.513 231 G N -1.248 107.557 108.800 0.010 0.000 2.920 231 G HA2 0.382 4.343 3.960 0.001 0.000 0.208 231 G HA3 0.382 4.343 3.960 0.001 0.000 0.208 231 G C 0.430 175.360 174.900 0.050 0.000 1.159 231 G CA 0.883 45.992 45.100 0.016 0.000 0.784 231 G HN 0.985 nan 8.290 nan 0.000 0.535 232 V N 1.359 121.315 119.914 0.070 0.000 2.378 232 V HA 0.463 4.584 4.120 0.001 0.000 0.288 232 V C -0.164 175.966 176.094 0.059 0.000 1.016 232 V CA -0.651 61.655 62.300 0.010 0.000 0.840 232 V CB 1.618 33.375 31.823 -0.110 0.000 0.994 232 V HN 0.275 nan 8.190 nan 0.000 0.431 233 M N 5.324 124.936 119.600 0.020 0.000 2.423 233 M HA 0.635 5.115 4.480 0.001 0.000 0.335 233 M C -1.324 174.878 176.300 -0.163 0.000 1.177 233 M CA -0.589 54.627 55.300 -0.140 0.000 1.038 233 M CB 1.569 34.077 32.600 -0.154 0.000 1.641 233 M HN 0.504 nan 8.290 nan 0.000 0.455 234 L N 2.512 123.642 121.223 -0.154 0.000 2.309 234 L HA 0.569 4.909 4.340 0.001 0.000 0.282 234 L C -0.329 176.513 176.870 -0.046 0.000 1.036 234 L CA -0.402 54.394 54.840 -0.074 0.000 0.806 234 L CB 1.734 43.842 42.059 0.081 0.000 1.220 234 L HN 0.698 nan 8.230 nan 0.000 0.429 235 S N -0.083 115.591 115.700 -0.043 0.000 2.548 235 S HA 0.454 4.925 4.470 0.001 0.000 0.276 235 S C 0.160 174.750 174.600 -0.016 0.000 1.129 235 S CA -0.364 57.814 58.200 -0.036 0.000 0.931 235 S CB 1.678 64.844 63.200 -0.056 0.000 1.068 235 S HN 0.706 nan 8.310 nan 0.000 0.480 236 T N 1.689 116.243 114.554 0.001 0.000 3.176 236 T HA 0.326 4.677 4.350 0.001 0.000 0.263 236 T C 1.122 175.856 174.700 0.057 0.000 1.021 236 T CA -0.386 61.753 62.100 0.064 0.000 0.905 236 T CB -0.110 68.802 68.868 0.074 0.000 1.057 236 T HN 0.588 nan 8.240 nan 0.000 0.558 237 R N 0.268 120.760 120.500 -0.013 0.000 2.161 237 R HA 0.390 4.731 4.340 0.001 0.000 0.213 237 R C 0.237 176.473 176.300 -0.106 0.000 1.055 237 R CA 0.557 56.629 56.100 -0.046 0.000 0.996 237 R CB 0.036 30.312 30.300 -0.039 0.000 0.901 237 R HN 0.356 nan 8.270 nan 0.000 0.456 238 L N 0.390 121.508 121.223 -0.175 0.000 2.371 238 L HA 0.348 4.688 4.340 0.001 0.000 0.262 238 L C -1.908 174.800 176.870 -0.271 0.000 1.006 238 L CA -2.214 52.413 54.840 -0.355 0.000 0.818 238 L CB 2.661 44.272 42.059 -0.746 0.000 1.354 238 L HN -0.199 nan 8.230 nan 0.000 0.415 239 P HA -0.032 nan 4.420 nan 0.000 0.231 239 P C -0.606 176.729 177.300 0.058 0.000 1.168 239 P CA 0.909 64.014 63.100 0.008 0.000 0.779 239 P CB -0.021 31.746 31.700 0.112 0.000 0.844 240 Y N -2.112 118.237 120.300 0.082 0.000 2.631 240 Y HA 0.615 5.166 4.550 0.001 0.000 0.328 240 Y C -0.036 175.883 175.900 0.032 0.000 1.118 240 Y CA -2.150 55.992 58.100 0.070 0.000 1.206 240 Y CB 0.077 38.639 38.460 0.170 0.000 1.337 240 Y HN -0.438 nan 8.280 nan 0.000 0.515 241 V N 2.984 123.062 119.914 0.273 0.000 2.498 241 V HA 0.233 4.354 4.120 0.001 0.000 0.279 241 V C 0.053 176.352 176.094 0.343 0.000 1.048 241 V CA -0.704 61.734 62.300 0.231 0.000 0.967 241 V CB 0.855 32.857 31.823 0.299 0.000 0.988 241 V HN 0.630 nan 8.190 nan 0.000 0.473 242 L N 5.983 127.334 121.223 0.213 0.000 2.289 242 L HA 0.560 4.901 4.340 0.001 0.000 0.285 242 L C -0.517 176.445 176.870 0.153 0.000 1.049 242 L CA -0.227 54.726 54.840 0.189 0.000 0.804 242 L CB 1.197 43.323 42.059 0.112 0.000 1.195 242 L HN 0.430 nan 8.230 nan 0.000 0.428 243 L N 3.649 124.971 121.223 0.164 0.000 2.362 243 L HA 0.531 4.872 4.340 0.001 0.000 0.275 243 L C 0.025 176.951 176.870 0.095 0.000 0.998 243 L CA -0.690 54.237 54.840 0.144 0.000 0.820 243 L CB 2.162 44.358 42.059 0.228 0.000 1.270 243 L HN 0.573 nan 8.230 nan 0.000 0.415 244 R N 3.133 123.672 120.500 0.066 0.000 2.643 244 R HA 0.114 4.454 4.340 0.001 0.000 0.270 244 R C -1.603 174.737 176.300 0.066 0.000 1.061 244 R CA -1.061 55.065 56.100 0.042 0.000 1.107 244 R CB 0.941 31.259 30.300 0.030 0.000 0.999 244 R HN 0.278 nan 8.270 nan 0.000 0.460 245 P HA -0.194 nan 4.420 nan 0.000 0.217 245 P C 0.256 177.610 177.300 0.090 0.000 1.148 245 P CA 1.339 64.484 63.100 0.075 0.000 0.828 245 P CB 0.043 31.760 31.700 0.029 0.000 0.783 246 D N -0.917 119.514 120.400 0.052 0.000 2.218 246 D HA -0.095 4.545 4.640 0.001 0.000 0.204 246 D C 1.556 177.872 176.300 0.027 0.000 0.976 246 D CA 1.121 55.142 54.000 0.034 0.000 0.853 246 D CB -0.874 39.937 40.800 0.018 0.000 0.939 246 D HN 0.103 nan 8.370 nan 0.000 0.481 247 V N -0.498 119.438 119.914 0.037 0.000 2.922 247 V HA -0.064 4.056 4.120 0.001 0.000 0.242 247 V C 2.117 178.207 176.094 -0.006 0.000 1.094 247 V CA 0.212 62.513 62.300 0.001 0.000 1.106 247 V CB -0.756 31.062 31.823 -0.008 0.000 0.799 247 V HN 0.044 nan 8.190 nan 0.000 0.474 248 Y N 1.907 122.175 120.300 -0.052 0.000 2.081 248 Y HA -0.292 4.259 4.550 0.001 0.000 0.280 248 Y C 2.720 178.592 175.900 -0.048 0.000 1.163 248 Y CA 2.147 60.215 58.100 -0.052 0.000 1.135 248 Y CB -0.178 38.273 38.460 -0.014 0.000 0.970 248 Y HN 0.061 nan 8.280 nan 0.000 0.498 249 R N -0.023 120.480 120.500 0.005 0.000 2.070 249 R HA -0.138 4.203 4.340 0.001 0.000 0.233 249 R C -0.369 175.845 176.300 -0.143 0.000 1.137 249 R CA 2.091 58.145 56.100 -0.078 0.000 0.945 249 R CB -1.633 28.708 30.300 0.068 0.000 0.845 249 R HN 0.370 nan 8.270 nan 0.000 0.430 250 P HA -0.167 nan 4.420 nan 0.000 0.217 250 P C 1.277 178.500 177.300 -0.128 0.000 1.150 250 P CA 1.004 64.054 63.100 -0.084 0.000 0.832 250 P CB 0.007 31.674 31.700 -0.054 0.000 0.787 251 L N -0.837 120.262 121.223 -0.206 0.000 2.027 251 L HA -0.044 4.297 4.340 0.001 0.000 0.206 251 L C 2.522 179.233 176.870 -0.264 0.000 1.074 251 L CA 1.955 56.631 54.840 -0.273 0.000 0.745 251 L CB -1.653 40.137 42.059 -0.447 0.000 0.898 251 L HN -0.129 nan 8.230 nan 0.000 0.433 252 M N -0.375 118.991 119.600 -0.390 0.000 2.117 252 M HA -0.176 4.304 4.480 0.001 0.000 0.262 252 M C 1.725 177.990 176.300 -0.057 0.000 1.065 252 M CA 1.659 56.792 55.300 -0.277 0.000 1.114 252 M CB -0.683 31.579 32.600 -0.563 0.000 1.361 252 M HN 0.253 nan 8.290 nan 0.000 0.408 253 D N 0.110 120.457 120.400 -0.088 0.000 2.123 253 D HA -0.099 4.542 4.640 0.001 0.000 0.196 253 D C 1.978 178.292 176.300 0.023 0.000 0.992 253 D CA 1.839 55.830 54.000 -0.015 0.000 0.833 253 D CB -0.404 40.379 40.800 -0.028 0.000 0.954 253 D HN 0.495 nan 8.370 nan 0.000 0.455 254 A N 0.015 122.842 122.820 0.012 0.000 1.898 254 A HA -0.140 4.181 4.320 0.001 0.000 0.216 254 A C 2.136 179.767 177.584 0.078 0.000 1.181 254 A CA 0.926 52.980 52.037 0.029 0.000 0.620 254 A CB -0.968 18.038 19.000 0.010 0.000 0.819 254 A HN 0.258 nan 8.150 nan 0.000 0.442 255 F N 1.868 121.802 119.950 -0.026 0.000 2.102 255 F HA -0.189 4.338 4.527 0.001 0.000 0.298 255 F C 2.759 178.585 175.800 0.042 0.000 1.105 255 F CA 2.460 60.476 58.000 0.026 0.000 1.239 255 F CB -0.436 38.614 39.000 0.083 0.000 0.991 255 F HN 0.342 nan 8.300 nan 0.000 0.474 256 T N -2.174 112.555 114.554 0.293 0.000 2.904 256 T HA -0.118 4.233 4.350 0.001 0.000 0.267 256 T C 1.936 176.685 174.700 0.082 0.000 1.059 256 T CA 1.179 63.419 62.100 0.233 0.000 1.137 256 T CB -0.453 68.570 68.868 0.257 0.000 0.879 256 T HN 0.263 nan 8.240 nan 0.000 0.467 257 K N 1.432 121.860 120.400 0.047 0.000 2.025 257 K HA 0.159 4.480 4.320 0.001 0.000 0.207 257 K C 2.823 179.403 176.600 -0.033 0.000 1.049 257 K CA 1.192 57.485 56.287 0.011 0.000 0.933 257 K CB -0.455 32.051 32.500 0.010 0.000 0.714 257 K HN 0.433 nan 8.250 nan 0.000 0.438 258 A N 1.392 124.170 122.820 -0.071 0.000 1.933 258 A HA -0.141 4.179 4.320 0.001 0.000 0.218 258 A C 2.055 179.538 177.584 -0.168 0.000 1.175 258 A CA 1.060 53.027 52.037 -0.116 0.000 0.628 258 A CB -0.408 18.508 19.000 -0.141 0.000 0.814 258 A HN 0.218 nan 8.150 nan 0.000 0.444 259 L N -0.375 120.707 121.223 -0.236 0.000 2.093 259 L HA 0.041 4.382 4.340 0.001 0.000 0.208 259 L C 2.522 179.307 176.870 -0.141 0.000 1.085 259 L CA 2.023 56.702 54.840 -0.267 0.000 0.755 259 L CB -0.747 41.085 42.059 -0.378 0.000 0.904 259 L HN 0.311 nan 8.230 nan 0.000 0.435 260 A N -0.948 121.834 122.820 -0.064 0.000 2.066 260 A HA 0.144 4.465 4.320 0.001 0.000 0.218 260 A C 2.306 179.874 177.584 -0.028 0.000 1.157 260 A CA 1.145 53.172 52.037 -0.016 0.000 0.670 260 A CB -0.746 18.269 19.000 0.025 0.000 0.804 260 A HN 0.503 nan 8.150 nan 0.000 0.453 261 A N -0.822 121.971 122.820 -0.044 0.000 2.072 261 A HA 0.128 4.449 4.320 0.001 0.000 0.216 261 A C 1.371 178.928 177.584 -0.044 0.000 1.156 261 A CA 0.163 52.178 52.037 -0.038 0.000 0.701 261 A CB -0.193 18.784 19.000 -0.037 0.000 0.816 261 A HN 0.641 nan 8.150 nan 0.000 0.458 271 R N 2.061 122.677 120.500 0.192 0.000 2.288 271 R HA 0.667 5.007 4.340 0.001 0.000 0.326 271 R C 0.144 176.540 176.300 0.160 0.000 0.959 271 R CA 0.068 56.257 56.100 0.149 0.000 0.834 271 R CB 1.224 31.566 30.300 0.070 0.000 1.157 271 R HN 1.361 nan 8.270 nan 0.000 0.470 272 A N 3.578 126.407 122.820 0.015 0.000 2.386 272 A HA 0.445 4.766 4.320 0.001 0.000 0.248 272 A C -0.006 177.473 177.584 -0.176 0.000 1.082 272 A CA -0.340 51.502 52.037 -0.325 0.000 0.789 272 A CB 0.614 19.364 19.000 -0.415 0.000 1.025 272 A HN 0.625 nan 8.150 nan 0.000 0.490 273 V N -0.968 118.820 119.914 -0.210 0.000 3.141 273 V HA 0.721 4.841 4.120 0.001 0.000 0.312 273 V C -0.160 175.869 176.094 -0.109 0.000 1.157 273 V CA -1.049 61.184 62.300 -0.113 0.000 1.041 273 V CB 1.276 33.056 31.823 -0.071 0.000 1.071 273 V HN 0.912 nan 8.190 nan 0.000 0.441 274 E N 1.695 121.857 120.200 -0.064 0.000 2.502 274 E HA 0.398 4.749 4.350 0.001 0.000 0.261 274 E C 0.359 176.932 176.600 -0.043 0.000 0.974 274 E CA 0.883 57.255 56.400 -0.047 0.000 0.936 274 E CB 0.636 30.320 29.700 -0.027 0.000 0.926 274 E HN 1.287 nan 8.360 nan 0.000 0.459 275 A N 3.895 126.696 122.820 -0.032 0.000 2.477 275 A HA 0.284 4.605 4.320 0.001 0.000 0.246 275 A C -0.463 177.134 177.584 0.022 0.000 1.078 275 A CA -0.470 51.564 52.037 -0.004 0.000 0.770 275 A CB 0.473 19.481 19.000 0.012 0.000 1.011 275 A HN 0.436 nan 8.150 nan 0.000 0.494 276 V N 2.716 122.667 119.914 0.061 0.000 2.383 276 V HA 0.481 4.602 4.120 0.001 0.000 0.275 276 V C 0.938 177.121 176.094 0.149 0.000 1.036 276 V CA -0.261 62.094 62.300 0.093 0.000 0.889 276 V CB 0.801 32.683 31.823 0.097 0.000 0.985 276 V HN 1.145 nan 8.190 nan 0.000 0.459 277 A N 7.472 130.328 122.820 0.060 0.000 2.498 277 A HA 0.443 4.763 4.320 0.001 0.000 0.239 277 A C -0.830 176.719 177.584 -0.057 0.000 1.068 277 A CA -0.657 51.370 52.037 -0.016 0.000 0.766 277 A CB -0.027 18.954 19.000 -0.033 0.000 1.003 277 A HN 0.784 nan 8.150 nan 0.000 0.497 278 P HA 0.186 nan 4.420 nan 0.000 0.261 278 P C -0.461 176.539 177.300 -0.500 0.000 1.352 278 P CA -0.009 62.847 63.100 -0.407 0.000 0.891 278 P CB -0.068 31.346 31.700 -0.477 0.000 1.383 279 F N 0.080 119.915 119.950 -0.192 0.000 2.380 279 F HA 0.460 4.987 4.527 0.001 0.000 0.325 279 F C 2.062 177.806 175.800 -0.094 0.000 1.136 279 F CA 0.137 58.029 58.000 -0.181 0.000 1.171 279 F CB 0.417 39.323 39.000 -0.157 0.000 1.230 279 F HN -0.172 nan 8.300 nan 0.000 0.554 280 G N 0.294 109.188 108.800 0.157 0.000 2.656 280 G HA2 0.283 4.243 3.960 0.001 0.000 0.211 280 G HA3 0.283 4.243 3.960 0.001 0.000 0.211 280 G C -0.372 174.585 174.900 0.095 0.000 1.137 280 G CA 0.201 45.373 45.100 0.120 0.000 0.802 280 G HN 0.347 nan 8.290 nan 0.000 0.527 281 V N 0.376 120.347 119.914 0.094 0.000 2.623 281 V HA 0.525 4.645 4.120 0.001 0.000 0.304 281 V C -0.873 175.177 176.094 -0.074 0.000 1.054 281 V CA -0.911 61.383 62.300 -0.010 0.000 0.882 281 V CB 1.531 33.386 31.823 0.054 0.000 1.002 281 V HN 0.181 nan 8.190 nan 0.000 0.424 282 c N 3.833 122.293 118.600 -0.234 0.000 2.898 282 c HA 0.831 5.402 4.570 0.001 0.000 0.304 282 c C -1.063 172.775 174.090 -0.420 0.000 1.237 282 c CA -1.102 55.100 56.329 -0.212 0.000 1.529 282 c CB 1.836 44.265 42.510 -0.135 0.000 2.021 282 c HN 0.812 nan 8.230 nan 0.000 0.474 283 Y N -0.152 120.090 120.300 -0.096 0.000 2.545 283 Y HA 0.397 4.948 4.550 0.001 0.000 0.348 283 Y C -0.033 175.801 175.900 -0.110 0.000 1.002 283 Y CA -0.568 57.477 58.100 -0.092 0.000 1.039 283 Y CB 0.909 39.304 38.460 -0.108 0.000 1.271 283 Y HN 0.621 nan 8.280 nan 0.000 0.467 284 D N 0.960 121.408 120.400 0.079 0.000 2.358 284 D HA 0.011 4.652 4.640 0.001 0.000 0.258 284 D C 1.131 177.434 176.300 0.005 0.000 1.223 284 D CA 0.327 54.343 54.000 0.026 0.000 0.886 284 D CB 1.225 42.042 40.800 0.028 0.000 1.120 284 D HN 0.741 nan 8.370 nan 0.000 0.482 285 T N 1.421 115.959 114.554 -0.027 0.000 2.962 285 T HA -0.121 4.229 4.350 0.001 0.000 0.270 285 T C 1.512 176.226 174.700 0.024 0.000 1.088 285 T CA 0.741 62.810 62.100 -0.053 0.000 1.127 285 T CB -0.077 68.802 68.868 0.019 0.000 0.883 285 T HN 0.384 nan 8.240 nan 0.000 0.493 286 K N 1.328 121.745 120.400 0.029 0.000 2.280 286 K HA -0.053 4.267 4.320 0.001 0.000 0.202 286 K C 2.206 178.822 176.600 0.027 0.000 1.047 286 K CA 1.621 57.928 56.287 0.034 0.000 0.942 286 K CB -0.284 32.233 32.500 0.027 0.000 0.739 286 K HN 0.691 nan 8.250 nan 0.000 0.457 287 T N -1.782 112.781 114.554 0.016 0.000 3.105 287 T HA 0.238 4.588 4.350 0.001 0.000 0.253 287 T C 0.474 175.164 174.700 -0.016 0.000 1.047 287 T CA -0.310 61.795 62.100 0.009 0.000 0.944 287 T CB -0.041 68.842 68.868 0.025 0.000 1.016 287 T HN -0.092 nan 8.240 nan 0.000 0.544 288 L N 1.894 123.104 121.223 -0.022 0.000 2.282 288 L HA 0.701 5.042 4.340 0.001 0.000 0.288 288 L C 1.093 178.008 176.870 0.074 0.000 1.033 288 L CA -1.234 53.589 54.840 -0.030 0.000 0.807 288 L CB 1.366 43.334 42.059 -0.152 0.000 1.209 288 L HN 0.250 nan 8.230 nan 0.000 0.423 289 G N 2.189 111.021 108.800 0.053 0.000 2.621 289 G HA2 0.311 4.271 3.960 0.001 0.000 0.271 289 G HA3 0.311 4.271 3.960 0.001 0.000 0.271 289 G C -0.693 174.270 174.900 0.104 0.000 1.236 289 G CA -0.432 44.705 45.100 0.061 0.000 0.958 289 G HN 0.703 nan 8.290 nan 0.000 0.512 290 N N -0.490 118.241 118.700 0.052 0.000 2.260 290 N HA 0.314 5.055 4.740 0.001 0.000 0.293 290 N C -0.443 175.066 175.510 -0.001 0.000 1.058 290 N CA -0.799 52.263 53.050 0.020 0.000 0.824 290 N CB 2.049 40.523 38.487 -0.021 0.000 1.551 290 N HN 0.799 nan 8.380 nan 0.000 0.475 291 N N 0.751 119.444 118.700 -0.011 0.000 3.201 291 N HA 0.341 5.082 4.740 0.001 0.000 0.344 291 N C -0.139 175.355 175.510 -0.028 0.000 1.465 291 N CA -0.702 52.335 53.050 -0.022 0.000 0.731 291 N CB 0.809 39.280 38.487 -0.027 0.000 1.677 291 N HN -0.008 nan 8.380 nan 0.000 0.631 292 L N -0.024 121.168 121.223 -0.052 0.000 2.191 292 L HA 0.028 4.368 4.340 0.001 0.000 0.212 292 L C 2.266 179.125 176.870 -0.018 0.000 1.103 292 L CA 1.693 56.506 54.840 -0.046 0.000 0.769 292 L CB -1.784 40.107 42.059 -0.280 0.000 0.908 292 L HN 0.922 nan 8.230 nan 0.000 0.438 293 G N -1.854 106.925 108.800 -0.035 0.000 3.042 293 G HA2 0.430 4.390 3.960 0.001 0.000 0.212 293 G HA3 0.430 4.390 3.960 0.001 0.000 0.212 293 G C 0.894 175.788 174.900 -0.010 0.000 1.166 293 G CA 0.616 45.707 45.100 -0.015 0.000 0.767 293 G HN 0.647 nan 8.290 nan 0.000 0.546 294 G N -0.619 108.157 108.800 -0.039 0.000 2.384 294 G HA2 -0.131 3.830 3.960 0.001 0.000 0.200 294 G HA3 -0.131 3.830 3.960 0.001 0.000 0.200 294 G C -0.461 174.390 174.900 -0.082 0.000 1.205 294 G CA -0.806 44.230 45.100 -0.106 0.000 1.116 294 G HN 0.167 nan 8.290 nan 0.000 0.547 295 Y N 1.365 121.669 120.300 0.006 0.000 2.811 295 Y HA 0.325 4.875 4.550 0.001 0.000 0.334 295 Y C 1.428 177.318 175.900 -0.017 0.000 1.247 295 Y CA 0.844 58.940 58.100 -0.007 0.000 1.526 295 Y CB 0.504 38.960 38.460 -0.005 0.000 1.284 295 Y HN 1.055 nan 8.280 nan 0.000 0.586 296 A N 4.724 127.630 122.820 0.143 0.000 2.915 296 A HA 0.511 4.831 4.320 0.001 0.000 0.292 296 A C -0.281 177.289 177.584 -0.024 0.000 1.632 296 A CA -0.261 51.798 52.037 0.036 0.000 1.337 296 A CB -1.311 17.695 19.000 0.009 0.000 1.111 296 A HN 0.613 nan 8.150 nan 0.000 0.569 297 V N -0.747 119.154 119.914 -0.022 0.000 3.074 297 V HA 0.770 4.891 4.120 0.001 0.000 0.314 297 V C -3.050 172.949 176.094 -0.157 0.000 1.117 297 V CA -2.899 59.311 62.300 -0.150 0.000 1.014 297 V CB 1.437 33.230 31.823 -0.050 0.000 1.057 297 V HN 0.390 nan 8.190 nan 0.000 0.438 298 P HA 0.208 nan 4.420 nan 0.000 0.264 298 P C -0.657 176.655 177.300 0.020 0.000 1.193 298 P CA 0.295 63.269 63.100 -0.210 0.000 0.763 298 P CB -0.016 31.463 31.700 -0.367 0.000 0.810 299 N N 1.426 120.162 118.700 0.060 0.000 2.458 299 N HA 0.173 4.914 4.740 0.001 0.000 0.258 299 N C -0.740 174.885 175.510 0.191 0.000 1.219 299 N CA 0.244 53.375 53.050 0.135 0.000 0.902 299 N CB 0.250 38.791 38.487 0.089 0.000 1.076 299 N HN 0.046 nan 8.380 nan 0.000 0.455 300 V N 2.349 122.420 119.914 0.261 0.000 2.540 300 V HA 0.392 4.513 4.120 0.001 0.000 0.302 300 V C -0.484 175.750 176.094 0.234 0.000 1.035 300 V CA -0.718 61.740 62.300 0.264 0.000 0.873 300 V CB 1.707 33.760 31.823 0.383 0.000 0.992 300 V HN 0.559 nan 8.190 nan 0.000 0.428 301 Q N 3.527 123.435 119.800 0.179 0.000 2.340 301 Q HA 0.651 4.992 4.340 0.001 0.000 0.268 301 Q C -1.350 174.739 176.000 0.148 0.000 1.031 301 Q CA -0.524 55.390 55.803 0.186 0.000 0.804 301 Q CB 2.448 31.276 28.738 0.149 0.000 1.286 301 Q HN 0.531 nan 8.270 nan 0.000 0.448 302 L N 1.882 123.207 121.223 0.171 0.000 2.265 302 L HA 0.549 4.890 4.340 0.001 0.000 0.289 302 L C 0.250 177.194 176.870 0.123 0.000 1.033 302 L CA 0.124 55.021 54.840 0.095 0.000 0.814 302 L CB 1.233 43.299 42.059 0.011 0.000 1.203 302 L HN 0.741 nan 8.230 nan 0.000 0.423 303 G N 5.859 114.713 108.800 0.090 0.000 2.365 303 G HA2 0.473 4.433 3.960 0.001 0.000 0.293 303 G HA3 0.473 4.433 3.960 0.001 0.000 0.293 303 G C -0.307 174.643 174.900 0.083 0.000 1.128 303 G CA -0.364 44.797 45.100 0.101 0.000 0.971 303 G HN 0.482 nan 8.290 nan 0.000 0.422 304 L N 1.887 123.179 121.223 0.116 0.000 2.352 304 L HA 0.333 4.673 4.340 0.001 0.000 0.269 304 L C 0.014 176.949 176.870 0.109 0.000 1.034 304 L CA -1.274 53.618 54.840 0.087 0.000 0.806 304 L CB 1.226 43.326 42.059 0.068 0.000 1.244 304 L HN 0.304 nan 8.230 nan 0.000 0.447 305 D N 1.125 121.577 120.400 0.085 0.000 2.525 305 D HA 0.249 4.889 4.640 0.001 0.000 0.235 305 D C 0.932 177.311 176.300 0.131 0.000 1.137 305 D CA 1.744 55.798 54.000 0.091 0.000 0.868 305 D CB 1.029 41.874 40.800 0.074 0.000 1.180 305 D HN 0.796 nan 8.370 nan 0.000 0.465 306 G N 1.362 110.231 108.800 0.115 0.000 2.218 306 G HA2 -0.116 3.844 3.960 0.001 0.000 0.216 306 G HA3 -0.116 3.844 3.960 0.001 0.000 0.216 306 G C 1.001 175.973 174.900 0.120 0.000 0.994 306 G CA 0.248 45.424 45.100 0.127 0.000 0.637 306 G HN 1.351 nan 8.290 nan 0.000 0.505 307 G N -1.329 107.545 108.800 0.122 0.000 2.175 307 G HA2 -0.017 3.943 3.960 0.001 0.000 0.244 307 G HA3 -0.017 3.943 3.960 0.001 0.000 0.244 307 G C 0.380 175.354 174.900 0.124 0.000 0.982 307 G CA 0.900 46.063 45.100 0.105 0.000 0.641 307 G HN 1.719 nan 8.290 nan 0.000 0.527 308 S N 0.443 116.253 115.700 0.184 0.000 2.690 308 S HA 0.650 5.121 4.470 0.001 0.000 0.291 308 S C -0.641 174.152 174.600 0.321 0.000 1.138 308 S CA -0.605 57.723 58.200 0.213 0.000 1.013 308 S CB 1.540 64.835 63.200 0.158 0.000 1.053 308 S HN 0.287 nan 8.310 nan 0.000 0.539 309 D N 0.981 121.567 120.400 0.310 0.000 2.185 309 D HA 0.217 4.857 4.640 0.001 0.000 0.247 309 D C -1.077 175.534 176.300 0.518 0.000 1.027 309 D CA -0.347 53.853 54.000 0.333 0.000 0.861 309 D CB 0.868 41.802 40.800 0.222 0.000 1.202 309 D HN 0.455 nan 8.370 nan 0.000 0.453 310 W N 3.922 125.367 121.300 0.241 0.000 2.308 310 W HA 0.240 4.900 4.660 0.001 0.000 0.311 310 W C -0.516 176.136 176.519 0.222 0.000 1.088 310 W CA -0.647 56.839 57.345 0.235 0.000 1.309 310 W CB 0.612 30.004 29.460 -0.114 0.000 1.229 310 W HN 0.246 nan 8.180 nan 0.000 0.427 311 T N 3.971 118.810 114.554 0.476 0.000 2.875 311 T HA 0.676 5.027 4.350 0.001 0.000 0.284 311 T C -0.224 174.753 174.700 0.461 0.000 0.995 311 T CA -0.758 61.572 62.100 0.383 0.000 1.060 311 T CB 1.757 70.749 68.868 0.208 0.000 0.967 311 T HN 0.440 nan 8.240 nan 0.000 0.476 312 M N 3.427 123.252 119.600 0.375 0.000 2.181 312 M HA 0.390 4.871 4.480 0.001 0.000 0.323 312 M C 0.412 176.861 176.300 0.248 0.000 1.004 312 M CA -0.730 54.769 55.300 0.331 0.000 0.941 312 M CB 2.255 35.055 32.600 0.333 0.000 1.579 312 M HN 1.028 nan 8.290 nan 0.000 0.427 313 T N -0.778 113.894 114.554 0.197 0.000 2.876 313 T HA 0.536 4.887 4.350 0.001 0.000 0.277 313 T C 1.282 176.076 174.700 0.157 0.000 0.997 313 T CA -0.229 61.961 62.100 0.149 0.000 0.966 313 T CB 1.038 69.956 68.868 0.084 0.000 1.312 313 T HN 0.732 nan 8.240 nan 0.000 0.598 314 G N 0.469 109.353 108.800 0.140 0.000 2.469 314 G HA2 -0.251 3.709 3.960 0.001 0.000 0.220 314 G HA3 -0.251 3.709 3.960 0.001 0.000 0.220 314 G C 1.373 176.361 174.900 0.146 0.000 1.136 314 G CA 1.140 46.347 45.100 0.179 0.000 0.759 314 G HN 0.973 nan 8.290 nan 0.000 0.562 315 K N 0.011 120.459 120.400 0.081 0.000 2.362 315 K HA 0.029 4.350 4.320 0.001 0.000 0.200 315 K C 1.582 178.234 176.600 0.087 0.000 1.046 315 K CA 1.257 57.578 56.287 0.056 0.000 0.952 315 K CB -0.102 32.411 32.500 0.022 0.000 0.753 315 K HN 0.224 nan 8.250 nan 0.000 0.466 316 N N 0.774 119.539 118.700 0.108 0.000 2.414 316 N HA -0.042 4.699 4.740 0.001 0.000 0.177 316 N C 1.286 176.805 175.510 0.015 0.000 1.062 316 N CA 1.155 54.269 53.050 0.107 0.000 0.890 316 N CB 0.709 39.307 38.487 0.185 0.000 1.070 316 N HN 0.381 nan 8.380 nan 0.000 0.454 317 S N -0.756 114.947 115.700 0.004 0.000 2.540 317 S HA 0.321 4.792 4.470 0.001 0.000 0.218 317 S C 0.516 175.003 174.600 -0.187 0.000 0.977 317 S CA -0.224 57.857 58.200 -0.197 0.000 0.918 317 S CB 0.381 63.569 63.200 -0.021 0.000 0.806 317 S HN -0.067 nan 8.310 nan 0.000 0.496 318 M N 2.113 121.704 119.600 -0.014 0.000 2.327 318 M HA 0.531 5.012 4.480 0.001 0.000 0.298 318 M C -1.473 174.837 176.300 0.017 0.000 1.065 318 M CA -0.606 54.698 55.300 0.006 0.000 0.916 318 M CB 1.940 34.639 32.600 0.166 0.000 1.630 318 M HN -0.111 nan 8.290 nan 0.000 0.442 319 V N 2.609 122.457 119.914 -0.110 0.000 2.448 319 V HA 0.301 4.421 4.120 0.001 0.000 0.295 319 V C -0.297 175.740 176.094 -0.096 0.000 1.025 319 V CA -0.870 61.380 62.300 -0.084 0.000 0.859 319 V CB 1.928 33.670 31.823 -0.135 0.000 0.988 319 V HN 0.663 nan 8.190 nan 0.000 0.431 320 D N 3.361 123.778 120.400 0.029 0.000 2.346 320 D HA 0.124 4.764 4.640 0.001 0.000 0.260 320 D C 0.930 177.231 176.300 0.003 0.000 1.252 320 D CA 0.197 54.221 54.000 0.039 0.000 0.895 320 D CB 1.993 42.850 40.800 0.095 0.000 1.097 320 D HN 0.483 nan 8.370 nan 0.000 0.489 321 V N 1.029 120.924 119.914 -0.031 0.000 3.085 321 V HA 0.186 4.307 4.120 0.001 0.000 0.245 321 V C 0.555 176.664 176.094 0.025 0.000 1.114 321 V CA 0.568 62.870 62.300 0.002 0.000 1.108 321 V CB -0.367 31.442 31.823 -0.023 0.000 0.798 321 V HN 0.578 nan 8.190 nan 0.000 0.471 322 K N -0.238 120.170 120.400 0.015 0.000 2.660 322 K HA 0.373 4.693 4.320 0.001 0.000 0.285 322 K C -1.208 175.404 176.600 0.020 0.000 0.997 322 K CA -0.859 55.440 56.287 0.020 0.000 0.861 322 K CB 1.276 33.787 32.500 0.019 0.000 1.469 322 K HN 0.005 nan 8.250 nan 0.000 0.395 323 Q N 0.560 120.374 119.800 0.023 0.000 2.283 323 Q HA 0.255 4.595 4.340 0.001 0.000 0.301 323 Q C 1.020 177.033 176.000 0.021 0.000 1.063 323 Q CA 2.802 58.620 55.803 0.027 0.000 0.952 323 Q CB 0.028 28.780 28.738 0.024 0.000 1.166 323 Q HN 1.002 nan 8.270 nan 0.000 0.381 324 G N 2.556 111.372 108.800 0.026 0.000 2.217 324 G HA2 -0.214 3.746 3.960 0.001 0.000 0.246 324 G HA3 -0.214 3.746 3.960 0.001 0.000 0.246 324 G C 0.009 174.910 174.900 0.002 0.000 0.990 324 G CA 0.139 45.250 45.100 0.017 0.000 0.627 324 G HN 0.769 nan 8.290 nan 0.000 0.522 325 T N 0.472 115.022 114.554 -0.007 0.000 2.928 325 T HA 0.763 5.114 4.350 0.001 0.000 0.296 325 T C -0.277 174.385 174.700 -0.064 0.000 1.000 325 T CA 0.436 62.515 62.100 -0.036 0.000 0.989 325 T CB 1.890 70.737 68.868 -0.035 0.000 1.005 325 T HN 1.520 nan 8.240 nan 0.000 0.442 326 A N 1.733 124.486 122.820 -0.112 0.000 2.371 326 A HA 0.763 5.084 4.320 0.001 0.000 0.311 326 A C -0.422 177.056 177.584 -0.177 0.000 1.068 326 A CA -0.629 51.309 52.037 -0.165 0.000 0.744 326 A CB 0.882 19.718 19.000 -0.274 0.000 1.239 326 A HN 0.945 nan 8.150 nan 0.000 0.435 327 c N 1.069 119.467 118.600 -0.335 0.000 2.435 327 c HA 0.611 5.181 4.570 0.001 0.000 0.333 327 c C 0.501 174.386 174.090 -0.342 0.000 1.202 327 c CA -0.704 55.379 56.329 -0.409 0.000 1.830 327 c CB 1.187 43.143 42.510 -0.923 0.000 2.326 327 c HN 0.677 nan 8.230 nan 0.000 0.507 328 V N 2.825 122.660 119.914 -0.131 0.000 2.529 328 V HA 0.188 4.308 4.120 0.001 0.000 0.292 328 V C 1.111 177.103 176.094 -0.169 0.000 1.028 328 V CA 0.464 62.671 62.300 -0.156 0.000 1.074 328 V CB 0.633 32.413 31.823 -0.072 0.000 0.958 328 V HN 1.087 nan 8.190 nan 0.000 0.481 329 A N 5.630 128.245 122.820 -0.342 0.000 2.324 329 A HA 0.363 4.684 4.320 0.001 0.000 0.240 329 A C -0.026 177.384 177.584 -0.290 0.000 1.347 329 A CA 0.121 52.048 52.037 -0.184 0.000 1.036 329 A CB -0.802 18.076 19.000 -0.202 0.000 0.917 329 A HN 0.568 nan 8.150 nan 0.000 0.519 330 F N -0.885 119.130 119.950 0.109 0.000 2.427 330 F HA 0.526 5.054 4.527 0.001 0.000 0.348 330 F C -0.174 175.773 175.800 0.245 0.000 1.125 330 F CA -1.102 56.983 58.000 0.141 0.000 0.989 330 F CB 1.865 40.877 39.000 0.019 0.000 1.165 330 F HN -0.154 nan 8.300 nan 0.000 0.442 331 V N 2.495 122.618 119.914 0.349 0.000 2.588 331 V HA 0.311 4.432 4.120 0.001 0.000 0.304 331 V C -0.237 175.831 176.094 -0.044 0.000 1.042 331 V CA -1.101 61.235 62.300 0.060 0.000 0.877 331 V CB 1.980 33.644 31.823 -0.265 0.000 0.996 331 V HN 0.705 nan 8.190 nan 0.000 0.425 332 E N 3.877 123.778 120.200 -0.498 0.000 2.316 332 E HA 0.321 4.671 4.350 0.001 0.000 0.275 332 E C -0.266 176.184 176.600 -0.250 0.000 1.029 332 E CA -0.474 55.556 56.400 -0.617 0.000 0.871 332 E CB 0.775 29.810 29.700 -1.110 0.000 1.022 332 E HN 0.587 nan 8.360 nan 0.000 0.418 333 M N 4.711 124.237 119.600 -0.123 0.000 2.252 333 M HA 0.041 4.522 4.480 0.001 0.000 0.348 333 M C -0.003 176.247 176.300 -0.083 0.000 1.334 333 M CA 0.827 56.091 55.300 -0.060 0.000 1.071 333 M CB 0.342 32.932 32.600 -0.018 0.000 1.763 333 M HN 0.344 nan 8.290 nan 0.000 0.452 334 K N 2.376 122.738 120.400 -0.063 0.000 2.375 334 K HA 0.864 5.185 4.320 0.001 0.000 0.249 334 K C 0.069 176.650 176.600 -0.032 0.000 0.942 334 K CA -0.363 55.889 56.287 -0.057 0.000 0.806 334 K CB 2.126 34.585 32.500 -0.069 0.000 1.227 334 K HN 0.799 nan 8.250 nan 0.000 0.430 335 G N 0.976 109.761 108.800 -0.027 0.000 2.545 335 G HA2 -0.246 3.715 3.960 0.001 0.000 0.240 335 G HA3 -0.246 3.715 3.960 0.001 0.000 0.240 335 G C -0.221 174.672 174.900 -0.011 0.000 1.172 335 G CA -0.237 44.854 45.100 -0.016 0.000 0.949 335 G HN 0.593 nan 8.290 nan 0.000 0.574 344 P HA 0.481 nan 4.420 nan 0.000 0.271 344 P C 1.066 178.389 177.300 0.038 0.000 1.218 344 P CA 0.324 63.461 63.100 0.063 0.000 0.780 344 P CB 1.131 32.914 31.700 0.138 0.000 0.901 345 A N 2.569 125.403 122.820 0.024 0.000 1.933 345 A HA 0.041 4.361 4.320 0.001 0.000 0.218 345 A C 0.767 178.364 177.584 0.022 0.000 1.175 345 A CA 1.389 53.435 52.037 0.016 0.000 0.628 345 A CB -0.358 18.643 19.000 0.002 0.000 0.814 345 A HN 0.433 nan 8.150 nan 0.000 0.444 346 V N -0.062 119.861 119.914 0.015 0.000 2.686 346 V HA 0.425 4.546 4.120 0.001 0.000 0.306 346 V C -1.015 175.076 176.094 -0.006 0.000 1.065 346 V CA -0.382 61.920 62.300 0.004 0.000 0.894 346 V CB 1.840 33.638 31.823 -0.042 0.000 1.004 346 V HN 0.304 nan 8.190 nan 0.000 0.424 347 I N 5.206 125.777 120.570 0.001 0.000 2.420 347 I HA 0.394 4.564 4.170 0.001 0.000 0.282 347 I C -0.394 175.688 176.117 -0.059 0.000 1.019 347 I CA -0.367 60.914 61.300 -0.032 0.000 1.130 347 I CB 1.404 39.398 38.000 -0.011 0.000 1.262 347 I HN 0.365 nan 8.210 nan 0.000 0.454 348 L N 5.502 126.638 121.223 -0.145 0.000 2.416 348 L HA 0.438 4.779 4.340 0.001 0.000 0.272 348 L C 1.008 177.804 176.870 -0.122 0.000 1.161 348 L CA 0.056 54.783 54.840 -0.189 0.000 0.845 348 L CB 0.666 42.465 42.059 -0.433 0.000 1.119 348 L HN 0.675 nan 8.230 nan 0.000 0.464 349 G N 0.906 109.660 108.800 -0.077 0.000 2.938 349 G HA2 0.441 4.401 3.960 0.001 0.000 0.258 349 G HA3 0.441 4.401 3.960 0.001 0.000 0.258 349 G C 0.811 175.719 174.900 0.014 0.000 1.356 349 G CA 0.015 45.086 45.100 -0.048 0.000 1.052 349 G HN 0.697 nan 8.290 nan 0.000 0.550 350 G N -0.264 108.586 108.800 0.082 0.000 2.418 350 G HA2 0.106 4.067 3.960 0.001 0.000 0.217 350 G HA3 0.106 4.067 3.960 0.001 0.000 0.217 350 G C 1.799 176.797 174.900 0.164 0.000 1.158 350 G CA 1.770 46.982 45.100 0.186 0.000 0.771 350 G HN 0.992 nan 8.290 nan 0.000 0.545 351 A N -0.214 122.703 122.820 0.163 0.000 2.167 351 A HA 0.154 4.475 4.320 0.001 0.000 0.214 351 A C 2.235 179.898 177.584 0.131 0.000 1.151 351 A CA 1.490 53.618 52.037 0.152 0.000 0.735 351 A CB -0.084 18.997 19.000 0.135 0.000 0.802 351 A HN 0.370 nan 8.150 nan 0.000 0.467 352 Q N -1.041 118.823 119.800 0.108 0.000 2.398 352 Q HA 0.243 4.584 4.340 0.001 0.000 0.204 352 Q C 1.768 177.844 176.000 0.128 0.000 0.932 352 Q CA 0.826 56.716 55.803 0.146 0.000 0.916 352 Q CB -0.150 28.633 28.738 0.074 0.000 1.024 352 Q HN 0.697 nan 8.270 nan 0.000 0.504 353 M N -0.007 119.645 119.600 0.086 0.000 2.501 353 M HA 0.068 4.548 4.480 0.001 0.000 0.261 353 M C -0.090 176.261 176.300 0.084 0.000 1.129 353 M CA 0.304 55.628 55.300 0.039 0.000 1.126 353 M CB 0.344 32.980 32.600 0.061 0.000 1.359 353 M HN 0.079 nan 8.290 nan 0.000 0.471 354 E N 1.835 122.097 120.200 0.103 0.000 2.452 354 E HA -0.109 4.242 4.350 0.001 0.000 0.261 354 E C -0.267 176.435 176.600 0.171 0.000 0.987 354 E CA 0.211 56.671 56.400 0.100 0.000 0.926 354 E CB 0.219 29.986 29.700 0.112 0.000 0.934 354 E HN 0.164 nan 8.360 nan 0.000 0.452 355 D N 0.754 121.185 120.400 0.053 0.000 2.945 355 D HA -0.208 4.433 4.640 0.001 0.000 0.225 355 D C -0.940 175.307 176.300 -0.090 0.000 1.158 355 D CA 1.151 55.113 54.000 -0.064 0.000 0.805 355 D CB -1.197 39.537 40.800 -0.111 0.000 1.098 355 D HN 0.182 nan 8.370 nan 0.000 0.426 356 F N -0.332 119.509 119.950 -0.181 0.000 2.480 356 F HA 0.439 4.966 4.527 0.001 0.000 0.329 356 F C 0.682 176.394 175.800 -0.147 0.000 1.091 356 F CA -1.024 56.846 58.000 -0.217 0.000 0.972 356 F CB 1.540 40.367 39.000 -0.287 0.000 1.150 356 F HN -0.341 nan 8.300 nan 0.000 0.467 357 V N 5.150 125.078 119.914 0.023 0.000 2.432 357 V HA 0.266 4.386 4.120 0.001 0.000 0.271 357 V C -0.079 176.065 176.094 0.083 0.000 1.046 357 V CA -0.443 61.913 62.300 0.093 0.000 0.945 357 V CB 0.642 32.557 31.823 0.154 0.000 0.992 357 V HN 0.470 nan 8.190 nan 0.000 0.471 358 L N 4.464 125.753 121.223 0.110 0.000 2.325 358 L HA 0.546 4.887 4.340 0.001 0.000 0.281 358 L C -0.579 176.315 176.870 0.039 0.000 1.004 358 L CA -0.488 54.378 54.840 0.044 0.000 0.823 358 L CB 1.918 44.054 42.059 0.129 0.000 1.236 358 L HN 0.543 nan 8.230 nan 0.000 0.415 359 D N 3.244 123.597 120.400 -0.077 0.000 2.472 359 D HA 0.268 4.909 4.640 0.001 0.000 0.234 359 D C -0.998 175.235 176.300 -0.112 0.000 1.088 359 D CA -0.275 53.710 54.000 -0.025 0.000 0.882 359 D CB 0.485 41.320 40.800 0.058 0.000 1.037 359 D HN 0.070 nan 8.370 nan 0.000 0.520 360 F N 2.608 122.314 119.950 -0.406 0.000 2.377 360 F HA 0.201 4.729 4.527 0.001 0.000 0.360 360 F C 0.680 176.312 175.800 -0.279 0.000 1.147 360 F CA -0.604 57.094 58.000 -0.504 0.000 1.170 360 F CB 0.740 38.945 39.000 -1.325 0.000 1.339 360 F HN 0.194 nan 8.300 nan 0.000 0.552 361 D N 4.628 125.073 120.400 0.075 0.000 2.472 361 D HA 0.224 4.865 4.640 0.001 0.000 0.234 361 D C 0.547 176.927 176.300 0.133 0.000 1.088 361 D CA -0.207 53.855 54.000 0.103 0.000 0.882 361 D CB 0.884 41.739 40.800 0.091 0.000 1.037 361 D HN 0.499 nan 8.370 nan 0.000 0.520 362 M N 1.676 121.378 119.600 0.169 0.000 2.618 362 M HA 0.065 4.545 4.480 0.001 0.000 0.240 362 M C 1.340 177.712 176.300 0.120 0.000 1.123 362 M CA 0.621 56.024 55.300 0.172 0.000 1.060 362 M CB 0.497 33.228 32.600 0.217 0.000 1.535 362 M HN 0.318 nan 8.290 nan 0.000 0.507 363 E N 0.441 120.700 120.200 0.099 0.000 2.099 363 E HA -0.029 4.321 4.350 0.001 0.000 0.191 363 E C 1.483 178.112 176.600 0.049 0.000 0.962 363 E CA 0.648 57.091 56.400 0.072 0.000 0.826 363 E CB 0.188 29.928 29.700 0.066 0.000 0.788 363 E HN 0.395 nan 8.360 nan 0.000 0.461 364 K N 0.901 121.322 120.400 0.035 0.000 2.459 364 K HA 0.052 4.373 4.320 0.001 0.000 0.193 364 K C -0.239 176.376 176.600 0.026 0.000 1.030 364 K CA 0.151 56.442 56.287 0.006 0.000 1.026 364 K CB 0.171 32.644 32.500 -0.045 0.000 0.809 364 K HN -0.025 nan 8.250 nan 0.000 0.504 365 K N 1.344 121.781 120.400 0.061 0.000 3.257 365 K HA -0.232 4.088 4.320 0.001 0.000 0.270 365 K C -0.633 176.020 176.600 0.088 0.000 0.984 365 K CA 0.701 57.038 56.287 0.083 0.000 0.739 365 K CB -1.421 31.121 32.500 0.071 0.000 1.351 365 K HN 0.443 nan 8.250 nan 0.000 0.463 366 R N -0.655 119.907 120.500 0.102 0.000 2.739 366 R HA 0.647 4.987 4.340 0.001 0.000 0.271 366 R C -1.608 174.800 176.300 0.179 0.000 1.010 366 R CA -1.321 54.867 56.100 0.147 0.000 0.897 366 R CB 1.130 31.505 30.300 0.126 0.000 1.236 366 R HN 0.029 nan 8.270 nan 0.000 0.466 367 L N 1.286 122.621 121.223 0.187 0.000 2.305 367 L HA 0.649 4.989 4.340 0.001 0.000 0.284 367 L C -0.409 176.551 176.870 0.150 0.000 1.013 367 L CA 0.017 54.876 54.840 0.032 0.000 0.819 367 L CB 1.880 43.832 42.059 -0.178 0.000 1.227 367 L HN 0.887 nan 8.230 nan 0.000 0.417 368 G N 4.336 113.066 108.800 -0.117 0.000 2.377 368 G HA2 0.522 4.483 3.960 0.001 0.000 0.299 368 G HA3 0.522 4.483 3.960 0.001 0.000 0.299 368 G C -1.243 173.514 174.900 -0.239 0.000 1.150 368 G CA -0.365 44.292 45.100 -0.738 0.000 0.847 368 G HN 0.652 nan 8.290 nan 0.000 0.501 369 F N -0.017 119.688 119.950 -0.409 0.000 2.828 369 F HA 0.644 5.171 4.527 0.001 0.000 0.355 369 F C -0.444 175.221 175.800 -0.224 0.000 1.200 369 F CA -1.659 56.179 58.000 -0.270 0.000 1.062 369 F CB 1.192 39.999 39.000 -0.321 0.000 1.351 369 F HN 0.195 nan 8.300 nan 0.000 0.504 370 S N 3.833 119.412 115.700 -0.201 0.000 2.461 370 S HA 0.392 4.862 4.470 0.001 0.000 0.322 370 S C -0.135 174.182 174.600 -0.472 0.000 1.063 370 S CA -0.709 57.309 58.200 -0.304 0.000 1.120 370 S CB 0.680 63.767 63.200 -0.190 0.000 0.968 370 S HN 0.741 nan 8.310 nan 0.000 0.467 371 R N 4.119 124.145 120.500 -0.791 0.000 2.370 371 R HA 0.233 4.573 4.340 0.001 0.000 0.309 371 R C -0.500 175.363 176.300 -0.728 0.000 1.059 371 R CA -0.251 55.080 56.100 -1.282 0.000 0.981 371 R CB 0.169 29.715 30.300 -1.256 0.000 0.972 371 R HN 0.574 nan 8.270 nan 0.000 0.437 372 L N 6.984 127.791 121.223 -0.693 0.000 2.439 372 L HA 0.246 4.586 4.340 0.001 0.000 0.269 372 L C -1.648 174.832 176.870 -0.650 0.000 1.179 372 L CA -1.907 52.527 54.840 -0.678 0.000 0.828 372 L CB 0.612 42.251 42.059 -0.700 0.000 1.106 372 L HN 0.575 nan 8.230 nan 0.000 0.467 373 P HA 0.017 nan 4.420 nan 0.000 0.270 373 P C 0.045 176.906 177.300 -0.732 0.000 1.223 373 P CA -0.179 62.493 63.100 -0.713 0.000 0.785 373 P CB 0.291 31.378 31.700 -1.022 0.000 0.923 374 H N 0.086 118.844 119.070 -0.520 0.000 2.457 374 H HA -0.135 4.422 4.556 0.001 0.000 0.297 374 H C 1.106 176.281 175.328 -0.254 0.000 1.092 374 H CA 1.196 57.065 56.048 -0.299 0.000 1.309 374 H CB -1.020 28.670 29.762 -0.120 0.000 1.382 374 H HN 0.396 nan 8.280 nan 0.000 0.535 375 F N -0.152 119.412 119.950 -0.642 0.000 2.797 375 F HA 0.400 4.928 4.527 0.001 0.000 0.302 375 F C 0.648 176.263 175.800 -0.309 0.000 1.130 375 F CA 0.040 57.723 58.000 -0.529 0.000 1.387 375 F CB -0.228 38.446 39.000 -0.543 0.000 1.107 375 F HN 0.220 nan 8.300 nan 0.000 0.577 376 T N -1.062 113.189 114.554 -0.506 0.000 2.591 376 T HA 0.839 5.190 4.350 0.001 0.000 0.274 376 T C -0.644 173.814 174.700 -0.404 0.000 0.945 376 T CA -0.079 61.794 62.100 -0.377 0.000 1.087 376 T CB 1.312 69.892 68.868 -0.479 0.000 1.416 376 T HN 0.518 nan 8.240 nan 0.000 0.514 377 G N -0.938 107.626 108.800 -0.393 0.000 2.338 377 G HA2 0.339 4.300 3.960 0.001 0.000 0.295 377 G HA3 0.339 4.300 3.960 0.001 0.000 0.295 377 G C 0.610 175.323 174.900 -0.312 0.000 1.461 377 G CA 0.065 44.972 45.100 -0.320 0.000 0.817 377 G HN 0.854 nan 8.290 nan 0.000 0.556 378 c N 0.126 118.574 118.600 -0.253 0.000 2.450 378 c HA 0.299 4.869 4.570 0.001 0.000 0.279 378 c C 2.117 176.111 174.090 -0.160 0.000 1.335 378 c CA 0.899 57.079 56.329 -0.248 0.000 1.749 378 c CB -0.932 41.485 42.510 -0.154 0.000 1.963 378 c HN 1.006 nan 8.230 nan 0.000 0.501 379 G N -0.627 108.111 108.800 -0.103 0.000 2.334 379 G HA2 0.404 4.364 3.960 0.001 0.000 0.261 379 G HA3 0.404 4.364 3.960 0.001 0.000 0.261 379 G C 1.052 175.920 174.900 -0.053 0.000 1.257 379 G CA 0.634 45.704 45.100 -0.050 0.000 0.935 379 G HN 1.059 nan 8.290 nan 0.000 0.480 380 G N 1.190 109.978 108.800 -0.020 0.000 2.184 380 G HA2 -0.236 3.724 3.960 0.001 0.000 0.264 380 G HA3 -0.236 3.724 3.960 0.001 0.000 0.264 380 G C 0.530 175.425 174.900 -0.009 0.000 0.975 380 G CA 0.552 45.650 45.100 -0.003 0.000 0.642 380 G HN 0.885 nan 8.290 nan 0.000 0.536 381 L N 0.000 121.179 121.223 -0.074 0.000 2.949 381 L HA 0.000 4.341 4.340 0.001 0.000 0.249 381 L CA 0.000 54.757 54.840 -0.138 0.000 0.813 381 L CB 0.000 41.731 42.059 -0.546 0.000 0.961 381 L HN 0.000 nan 8.230 nan 0.000 0.502