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 3kc3_1_B DATA FIRST_RESID 44 DATA SEQUENCE PQFHVKSGLQ IKKNAIIDDY KVTSQVLGLG INGKVLQIFN KRTQEKFALK DATA SEQUENCE MLQDCPKARR EVELHWRASQ CPHIVRIVDV YENLYAGRKC LLIVMECLDG DATA SEQUENCE GELFSRIQDR GDQAFTEREA SEIMKSIGEA IQYLHSINIA HRDVKPENLL DATA SEQUENCE YTSKRPNAIL KLTDFGFAKE TTXXXXXXXX XXXPYYVAPE VLGPEKYDKS DATA SEQUENCE CDMWSLGVIM YILLCGYPPF YSXXXXXISP GMKTRIRMGQ YEFPNPEWSE DATA SEQUENCE VSEEVKMLIR NLLKTEPTQR MTITEFMNHP WIMQSTKVPQ TPLHTSRVLK DATA SEQUENCE EDKERW 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 44 P HA 0.000 nan 4.420 nan 0.000 0.216 44 P C 0.000 177.309 177.300 0.015 0.000 1.155 44 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 44 P CB 0.000 31.682 31.700 -0.030 0.000 0.726 45 Q N 0.650 120.454 119.800 0.008 0.000 2.382 45 Q HA -0.171 4.151 4.340 -0.031 0.000 0.345 45 Q C -1.731 174.260 176.000 -0.016 0.000 1.350 45 Q CA 0.530 56.309 55.803 -0.041 0.000 0.892 45 Q CB -1.881 26.837 28.738 -0.033 0.000 1.058 45 Q HN 0.258 nan 8.270 nan 0.000 0.318 46 F N 3.929 123.724 119.950 -0.258 0.000 2.499 46 F HA 0.493 5.002 4.527 -0.030 0.000 0.333 46 F C 0.563 176.246 175.800 -0.195 0.000 1.138 46 F CA -0.731 57.158 58.000 -0.185 0.000 0.945 46 F CB 0.997 39.950 39.000 -0.077 0.000 1.181 46 F HN 0.588 nan 8.300 nan 0.000 0.435 47 H N 3.118 121.947 119.070 -0.402 0.000 2.266 47 H HA 0.176 4.714 4.556 -0.030 0.000 0.308 47 H C 0.137 175.310 175.328 -0.259 0.000 1.057 47 H CA 1.608 57.504 56.048 -0.253 0.000 1.330 47 H CB 0.029 29.700 29.762 -0.151 0.000 1.400 47 H HN 0.224 nan 8.280 nan 0.000 0.503 48 V N 1.774 121.554 119.914 -0.224 0.000 3.927 48 V HA -0.261 3.841 4.120 -0.031 0.000 0.495 48 V C -0.318 175.750 176.094 -0.044 0.000 0.682 48 V CA 0.584 62.779 62.300 -0.176 0.000 1.978 48 V CB -1.042 30.639 31.823 -0.236 0.000 2.375 48 V HN 0.346 nan 8.190 nan 0.000 0.506 49 K N 3.304 123.695 120.400 -0.014 0.000 2.185 49 K HA 0.795 5.097 4.320 -0.031 0.000 0.240 49 K C 0.395 177.039 176.600 0.075 0.000 0.983 49 K CA 0.068 56.366 56.287 0.019 0.000 0.873 49 K CB 1.711 34.201 32.500 -0.016 0.000 1.118 49 K HN 0.927 nan 8.250 nan 0.000 0.441 50 S N -0.599 115.176 115.700 0.125 0.000 2.614 50 S HA 0.580 5.032 4.470 -0.031 0.000 0.265 50 S C 0.575 175.356 174.600 0.302 0.000 1.303 50 S CA -0.672 57.633 58.200 0.176 0.000 1.000 50 S CB 1.112 64.411 63.200 0.166 0.000 0.935 50 S HN 0.601 nan 8.310 nan 0.000 0.551 51 G N -0.595 108.328 108.800 0.206 0.000 2.537 51 G HA2 0.517 4.458 3.960 -0.031 0.000 0.297 51 G HA3 0.517 4.458 3.960 -0.031 0.000 0.297 51 G C -0.999 173.844 174.900 -0.095 0.000 1.310 51 G CA -0.853 44.345 45.100 0.163 0.000 1.027 51 G HN 0.699 nan 8.290 nan 0.000 0.505 52 L N -0.405 120.542 121.223 -0.461 0.000 2.275 52 L HA 0.574 4.896 4.340 -0.031 0.000 0.288 52 L C -0.273 176.269 176.870 -0.546 0.000 1.046 52 L CA -0.723 53.507 54.840 -1.017 0.000 0.805 52 L CB 1.535 42.845 42.059 -1.249 0.000 1.193 52 L HN 0.408 nan 8.230 nan 0.000 0.426 53 Q N 4.462 123.964 119.800 -0.496 0.000 2.316 53 Q HA 0.513 4.835 4.340 -0.031 0.000 0.264 53 Q C -1.200 174.601 176.000 -0.332 0.000 0.987 53 Q CA -0.164 55.450 55.803 -0.315 0.000 0.852 53 Q CB 1.392 30.000 28.738 -0.218 0.000 1.287 53 Q HN 0.682 nan 8.270 nan 0.000 0.448 54 I N 4.767 125.181 120.570 -0.260 0.000 2.310 54 I HA 0.220 4.372 4.170 -0.031 0.000 0.287 54 I C 0.142 176.125 176.117 -0.223 0.000 1.073 54 I CA -0.610 60.544 61.300 -0.243 0.000 1.216 54 I CB 0.539 38.435 38.000 -0.173 0.000 1.415 54 I HN 0.435 nan 8.210 nan 0.000 0.480 55 K N 5.678 125.876 120.400 -0.337 0.000 2.559 55 K HA -0.010 4.292 4.320 -0.031 0.000 0.279 55 K C 0.640 177.164 176.600 -0.126 0.000 0.967 55 K CA 0.244 56.332 56.287 -0.330 0.000 1.000 55 K CB 0.997 33.041 32.500 -0.759 0.000 0.890 55 K HN 0.449 nan 8.250 nan 0.000 0.501 56 K N 1.338 121.730 120.400 -0.013 0.000 2.450 56 K HA 0.012 4.314 4.320 -0.031 0.000 0.206 56 K C 0.284 176.952 176.600 0.114 0.000 1.148 56 K CA -0.026 56.296 56.287 0.057 0.000 1.014 56 K CB 0.135 32.644 32.500 0.015 0.000 0.966 56 K HN 0.724 nan 8.250 nan 0.000 0.566 57 N N 1.921 120.706 118.700 0.141 0.000 2.381 57 N HA -0.021 4.701 4.740 -0.031 0.000 0.241 57 N C -0.150 175.474 175.510 0.190 0.000 1.279 57 N CA 0.125 53.268 53.050 0.154 0.000 0.896 57 N CB 0.626 39.196 38.487 0.137 0.000 1.118 57 N HN -0.068 nan 8.380 nan 0.000 0.438 58 A N 1.889 124.762 122.820 0.089 0.000 2.524 58 A HA 0.066 4.368 4.320 -0.031 0.000 0.250 58 A C 1.611 179.148 177.584 -0.079 0.000 1.078 58 A CA -0.529 51.522 52.037 0.024 0.000 0.761 58 A CB -0.415 18.596 19.000 0.018 0.000 1.012 58 A HN 0.871 nan 8.150 nan 0.000 0.500 59 I N 3.422 123.815 120.570 -0.296 0.000 2.194 59 I HA -0.258 3.894 4.170 -0.031 0.000 0.246 59 I C 2.122 178.111 176.117 -0.213 0.000 1.093 59 I CA 2.116 63.031 61.300 -0.643 0.000 1.355 59 I CB -0.041 37.477 38.000 -0.804 0.000 1.046 59 I HN 0.865 nan 8.210 nan 0.000 0.413 60 I N -1.511 118.999 120.570 -0.101 0.000 2.657 60 I HA -0.259 3.893 4.170 -0.031 0.000 0.261 60 I C 1.483 177.592 176.117 -0.013 0.000 1.212 60 I CA 1.453 62.742 61.300 -0.019 0.000 1.453 60 I CB -0.923 37.080 38.000 0.005 0.000 1.092 60 I HN 0.193 nan 8.210 nan 0.000 0.452 61 D N 2.061 122.447 120.400 -0.024 0.000 2.182 61 D HA -0.160 4.461 4.640 -0.031 0.000 0.201 61 D C 1.549 177.822 176.300 -0.045 0.000 0.986 61 D CA 1.455 55.447 54.000 -0.013 0.000 0.847 61 D CB -0.075 40.735 40.800 0.016 0.000 0.942 61 D HN 0.568 nan 8.370 nan 0.000 0.467 62 D N -1.860 118.489 120.400 -0.085 0.000 2.423 62 D HA 0.031 4.653 4.640 -0.031 0.000 0.212 62 D C -0.128 175.893 176.300 -0.466 0.000 1.060 62 D CA 0.215 54.058 54.000 -0.262 0.000 0.872 62 D CB 0.666 41.310 40.800 -0.261 0.000 1.012 62 D HN 0.221 nan 8.370 nan 0.000 0.503 63 Y N 0.474 120.742 120.300 -0.054 0.000 2.492 63 Y HA 0.304 4.836 4.550 -0.030 0.000 0.346 63 Y C 0.214 176.123 175.900 0.014 0.000 0.997 63 Y CA -1.025 57.065 58.100 -0.016 0.000 1.025 63 Y CB 1.909 40.324 38.460 -0.075 0.000 1.263 63 Y HN -0.472 nan 8.280 nan 0.000 0.454 64 K N 2.258 122.810 120.400 0.253 0.000 2.312 64 K HA 0.442 4.744 4.320 -0.031 0.000 0.287 64 K C -1.141 175.593 176.600 0.223 0.000 1.062 64 K CA -0.290 56.123 56.287 0.210 0.000 0.934 64 K CB 0.576 33.215 32.500 0.231 0.000 1.027 64 K HN 0.477 nan 8.250 nan 0.000 0.478 65 V N 4.807 124.802 119.914 0.134 0.000 2.334 65 V HA 0.070 4.171 4.120 -0.031 0.000 0.267 65 V C 0.544 176.701 176.094 0.105 0.000 1.040 65 V CA -0.503 61.849 62.300 0.086 0.000 0.866 65 V CB 0.943 32.775 31.823 0.014 0.000 1.019 65 V HN 0.851 nan 8.190 nan 0.000 0.468 66 T N 2.833 117.475 114.554 0.146 0.000 2.689 66 T HA 0.092 4.423 4.350 -0.031 0.000 0.308 66 T C 1.175 175.927 174.700 0.086 0.000 1.021 66 T CA 0.122 62.314 62.100 0.155 0.000 0.973 66 T CB 1.032 70.052 68.868 0.254 0.000 1.113 66 T HN 0.668 nan 8.240 nan 0.000 0.522 67 S N -1.064 114.687 115.700 0.084 0.000 2.578 67 S HA 0.182 4.633 4.470 -0.031 0.000 0.228 67 S C 0.556 175.188 174.600 0.053 0.000 1.022 67 S CA -0.226 58.008 58.200 0.057 0.000 0.967 67 S CB 0.054 63.286 63.200 0.052 0.000 0.914 67 S HN 0.588 nan 8.310 nan 0.000 0.515 68 Q N 2.159 122.001 119.800 0.070 0.000 2.264 68 Q HA 0.071 4.392 4.340 -0.031 0.000 0.296 68 Q C -0.823 175.200 176.000 0.039 0.000 1.103 68 Q CA 0.220 56.059 55.803 0.060 0.000 0.967 68 Q CB 0.455 29.242 28.738 0.081 0.000 1.090 68 Q HN 0.147 nan 8.270 nan 0.000 0.379 69 V N 6.630 126.564 119.914 0.034 0.000 2.555 69 V HA -0.022 4.079 4.120 -0.031 0.000 0.286 69 V C 0.969 177.080 176.094 0.028 0.000 1.044 69 V CA 0.318 62.634 62.300 0.026 0.000 1.026 69 V CB 1.041 32.881 31.823 0.028 0.000 0.981 69 V HN 0.828 nan 8.190 nan 0.000 0.480 70 L N 4.038 125.274 121.223 0.023 0.000 2.388 70 L HA 0.421 4.743 4.340 -0.031 0.000 0.209 70 L C 1.315 178.205 176.870 0.034 0.000 1.061 70 L CA 0.746 55.602 54.840 0.027 0.000 0.834 70 L CB 0.035 42.105 42.059 0.018 0.000 1.029 70 L HN 0.745 nan 8.230 nan 0.000 0.473 71 G N 0.079 108.899 108.800 0.034 0.000 3.405 71 G HA2 0.449 4.391 3.960 -0.031 0.000 0.318 71 G HA3 0.449 4.391 3.960 -0.031 0.000 0.318 71 G C 0.128 175.050 174.900 0.037 0.000 1.597 71 G CA -0.423 44.701 45.100 0.040 0.000 1.022 71 G HN 0.048 nan 8.290 nan 0.000 0.506 72 L N 1.637 122.880 121.223 0.034 0.000 2.721 72 L HA 0.176 4.498 4.340 -0.031 0.000 0.241 72 L C 1.876 178.767 176.870 0.035 0.000 1.168 72 L CA 0.328 55.187 54.840 0.031 0.000 0.866 72 L CB -1.201 40.876 42.059 0.028 0.000 0.996 72 L HN 0.399 nan 8.230 nan 0.000 0.451 73 G N 1.237 110.061 108.800 0.041 0.000 2.707 73 G HA2 0.140 4.081 3.960 -0.031 0.000 0.231 73 G HA3 0.140 4.081 3.960 -0.031 0.000 0.231 73 G C 0.664 175.600 174.900 0.059 0.000 1.246 73 G CA -0.292 44.837 45.100 0.049 0.000 0.852 73 G HN 0.253 nan 8.290 nan 0.000 0.584 74 I N -0.920 119.694 120.570 0.074 0.000 3.112 74 I HA 0.026 4.178 4.170 -0.031 0.000 0.284 74 I C 0.946 177.117 176.117 0.090 0.000 1.227 74 I CA 0.430 61.783 61.300 0.087 0.000 1.369 74 I CB -0.434 37.636 38.000 0.117 0.000 1.376 74 I HN 0.935 nan 8.210 nan 0.000 0.608 75 N N 1.005 119.742 118.700 0.061 0.000 2.936 75 N HA -0.129 4.592 4.740 -0.031 0.000 0.236 75 N C 0.345 175.872 175.510 0.028 0.000 0.930 75 N CA 0.754 53.822 53.050 0.030 0.000 0.966 75 N CB -1.156 37.337 38.487 0.011 0.000 1.090 75 N HN 1.360 nan 8.380 nan 0.000 0.592 76 G N 0.498 109.319 108.800 0.035 0.000 2.350 76 G HA2 0.188 4.130 3.960 -0.031 0.000 0.274 76 G HA3 0.188 4.130 3.960 -0.031 0.000 0.274 76 G C -0.980 173.938 174.900 0.030 0.000 1.621 76 G CA -0.581 44.535 45.100 0.026 0.000 0.935 76 G HN 0.246 nan 8.290 nan 0.000 0.694 77 K N 0.997 121.409 120.400 0.019 0.000 2.319 77 K HA 0.595 4.897 4.320 -0.031 0.000 0.265 77 K C -0.139 176.469 176.600 0.013 0.000 1.000 77 K CA -0.554 55.744 56.287 0.019 0.000 0.943 77 K CB 1.385 33.893 32.500 0.014 0.000 0.950 77 K HN 0.627 nan 8.250 nan 0.000 0.485 78 V N 3.178 123.103 119.914 0.019 0.000 2.417 78 V HA 0.368 4.469 4.120 -0.031 0.000 0.291 78 V C 0.089 176.183 176.094 -0.000 0.000 1.024 78 V CA -0.883 61.424 62.300 0.013 0.000 0.861 78 V CB 1.186 33.028 31.823 0.032 0.000 0.985 78 V HN 0.584 nan 8.190 nan 0.000 0.436 79 L N 3.636 124.847 121.223 -0.021 0.000 2.342 79 L HA 0.567 4.889 4.340 -0.031 0.000 0.271 79 L C -0.124 176.718 176.870 -0.047 0.000 1.008 79 L CA -0.710 54.115 54.840 -0.025 0.000 0.818 79 L CB 2.137 44.175 42.059 -0.034 0.000 1.296 79 L HN 0.636 nan 8.230 nan 0.000 0.427 80 Q N 3.304 123.079 119.800 -0.043 0.000 2.288 80 Q HA 0.496 4.817 4.340 -0.031 0.000 0.258 80 Q C -0.830 175.076 176.000 -0.158 0.000 0.957 80 Q CA -0.142 55.590 55.803 -0.117 0.000 0.919 80 Q CB 0.953 29.639 28.738 -0.086 0.000 1.185 80 Q HN 0.526 nan 8.270 nan 0.000 0.408 81 I N -0.430 119.982 120.570 -0.263 0.000 2.957 81 I HA 0.653 4.805 4.170 -0.031 0.000 0.310 81 I C -1.279 174.596 176.117 -0.403 0.000 1.063 81 I CA -1.325 59.873 61.300 -0.169 0.000 1.033 81 I CB 1.723 39.671 38.000 -0.088 0.000 1.230 81 I HN 0.437 nan 8.210 nan 0.000 0.447 82 F N 1.600 121.702 119.950 0.253 0.000 2.507 82 F HA 0.393 4.902 4.527 -0.030 0.000 0.325 82 F C 0.388 176.430 175.800 0.404 0.000 1.116 82 F CA -0.694 57.490 58.000 0.307 0.000 0.930 82 F CB 1.329 40.430 39.000 0.168 0.000 1.146 82 F HN 0.526 nan 8.300 nan 0.000 0.447 83 N N 3.045 122.093 118.700 0.581 0.000 2.454 83 N HA -0.010 4.711 4.740 -0.031 0.000 0.260 83 N C 0.662 176.234 175.510 0.104 0.000 1.218 83 N CA 0.361 53.511 53.050 0.166 0.000 0.904 83 N CB 0.912 39.535 38.487 0.227 0.000 1.065 83 N HN 0.711 nan 8.380 nan 0.000 0.462 84 K N 3.402 123.768 120.400 -0.055 0.000 2.155 84 K HA -0.029 4.273 4.320 -0.031 0.000 0.203 84 K C 1.836 178.435 176.600 -0.001 0.000 1.052 84 K CA 0.923 57.209 56.287 -0.001 0.000 0.948 84 K CB 0.294 32.774 32.500 -0.032 0.000 0.728 84 K HN 0.502 nan 8.250 nan 0.000 0.448 85 R N 0.301 120.782 120.500 -0.033 0.000 2.060 85 R HA -0.079 4.243 4.340 -0.031 0.000 0.225 85 R C 2.634 178.952 176.300 0.030 0.000 1.155 85 R CA 2.091 58.186 56.100 -0.009 0.000 0.930 85 R CB -0.624 29.660 30.300 -0.028 0.000 0.829 85 R HN 0.317 nan 8.270 nan 0.000 0.433 86 T N -2.698 111.892 114.554 0.059 0.000 3.043 86 T HA -0.026 4.306 4.350 -0.031 0.000 0.263 86 T C 0.983 175.758 174.700 0.126 0.000 1.094 86 T CA 0.705 62.862 62.100 0.094 0.000 1.127 86 T CB 0.223 69.171 68.868 0.134 0.000 0.905 86 T HN 0.252 nan 8.240 nan 0.000 0.490 87 Q N 0.243 120.142 119.800 0.165 0.000 2.424 87 Q HA -0.176 4.146 4.340 -0.031 0.000 0.234 87 Q C -0.039 176.140 176.000 0.299 0.000 0.748 87 Q CA 1.173 57.100 55.803 0.207 0.000 1.286 87 Q CB -1.981 26.823 28.738 0.110 0.000 1.494 87 Q HN 0.900 nan 8.270 nan 0.000 0.683 88 E N 0.673 121.048 120.200 0.292 0.000 2.366 88 E HA 0.236 4.568 4.350 -0.031 0.000 0.266 88 E C -0.668 176.028 176.600 0.161 0.000 1.051 88 E CA -0.414 56.103 56.400 0.195 0.000 0.884 88 E CB 0.672 30.441 29.700 0.115 0.000 1.006 88 E HN 0.156 nan 8.360 nan 0.000 0.417 89 K N 2.343 122.686 120.400 -0.095 0.000 2.295 89 K HA 0.266 4.568 4.320 -0.031 0.000 0.270 89 K C -0.887 175.339 176.600 -0.623 0.000 1.011 89 K CA 0.223 56.300 56.287 -0.351 0.000 0.953 89 K CB 0.524 32.846 32.500 -0.298 0.000 0.956 89 K HN 0.298 nan 8.250 nan 0.000 0.477 90 F N -0.323 119.486 119.950 -0.235 0.000 2.726 90 F HA 0.572 5.081 4.527 -0.031 0.000 0.324 90 F C -0.559 175.118 175.800 -0.204 0.000 1.140 90 F CA -1.052 56.855 58.000 -0.154 0.000 0.964 90 F CB 1.525 40.456 39.000 -0.115 0.000 1.399 90 F HN 0.447 nan 8.300 nan 0.000 0.491 91 A N 1.164 124.030 122.820 0.078 0.000 2.365 91 A HA 0.834 5.135 4.320 -0.031 0.000 0.318 91 A C -2.118 175.442 177.584 -0.039 0.000 1.091 91 A CA -0.613 51.418 52.037 -0.010 0.000 0.763 91 A CB 1.619 20.629 19.000 0.016 0.000 1.248 91 A HN 0.711 nan 8.150 nan 0.000 0.442 92 L N 1.296 122.481 121.223 -0.064 0.000 2.381 92 L HA 0.662 4.983 4.340 -0.031 0.000 0.274 92 L C -0.437 176.406 176.870 -0.045 0.000 0.988 92 L CA -0.241 54.546 54.840 -0.088 0.000 0.824 92 L CB 1.614 43.586 42.059 -0.144 0.000 1.263 92 L HN 0.695 nan 8.230 nan 0.000 0.410 93 K N 5.573 125.959 120.400 -0.023 0.000 2.221 93 K HA 0.634 4.935 4.320 -0.031 0.000 0.258 93 K C -1.370 175.215 176.600 -0.025 0.000 0.944 93 K CA -0.595 55.692 56.287 -0.000 0.000 0.823 93 K CB 1.285 33.816 32.500 0.052 0.000 1.113 93 K HN 0.739 nan 8.250 nan 0.000 0.431 94 M N 6.261 125.837 119.600 -0.039 0.000 2.078 94 M HA 0.328 4.790 4.480 -0.031 0.000 0.320 94 M C -1.156 175.125 176.300 -0.031 0.000 0.969 94 M CA -0.707 54.554 55.300 -0.064 0.000 0.929 94 M CB 1.048 33.571 32.600 -0.129 0.000 1.504 94 M HN 0.356 nan 8.290 nan 0.000 0.419 95 L N 2.219 123.435 121.223 -0.011 0.000 2.330 95 L HA 0.483 4.804 4.340 -0.031 0.000 0.271 95 L C 0.126 177.001 176.870 0.008 0.000 1.013 95 L CA -0.827 54.015 54.840 0.003 0.000 0.816 95 L CB 1.568 43.636 42.059 0.014 0.000 1.287 95 L HN 0.588 nan 8.230 nan 0.000 0.435 96 Q N 1.156 120.965 119.800 0.016 0.000 2.314 96 Q HA 0.077 4.398 4.340 -0.031 0.000 0.258 96 Q C -0.679 175.330 176.000 0.016 0.000 0.954 96 Q CA -0.423 55.396 55.803 0.025 0.000 0.890 96 Q CB 0.934 29.689 28.738 0.027 0.000 1.210 96 Q HN 0.422 nan 8.270 nan 0.000 0.410 97 D N 1.501 121.912 120.400 0.018 0.000 2.583 97 D HA -0.003 4.618 4.640 -0.031 0.000 0.232 97 D C -0.659 175.643 176.300 0.004 0.000 1.128 97 D CA 0.695 54.702 54.000 0.010 0.000 0.859 97 D CB 0.276 41.083 40.800 0.012 0.000 1.169 97 D HN 0.607 nan 8.370 nan 0.000 0.481 98 C N 1.415 120.714 119.300 -0.002 0.000 3.045 98 C HA 0.132 4.574 4.460 -0.031 0.000 0.338 98 C C -1.852 173.133 174.990 -0.009 0.000 1.267 98 C CA -1.249 57.765 59.018 -0.006 0.000 1.177 98 C CB 0.610 28.344 27.740 -0.010 0.000 1.380 98 C HN 0.306 nan 8.230 nan 0.000 0.469 99 P HA -0.261 nan 4.420 nan 0.000 0.222 99 P C 1.496 178.787 177.300 -0.014 0.000 1.147 99 P CA 2.404 65.496 63.100 -0.012 0.000 0.958 99 P CB -0.037 31.654 31.700 -0.015 0.000 0.788 100 K N -0.688 119.698 120.400 -0.024 0.000 2.001 100 K HA -0.169 4.132 4.320 -0.031 0.000 0.214 100 K C 2.265 178.856 176.600 -0.015 0.000 1.050 100 K CA 1.913 58.181 56.287 -0.033 0.000 0.934 100 K CB -0.957 31.507 32.500 -0.061 0.000 0.718 100 K HN 0.087 nan 8.250 nan 0.000 0.443 101 A N 1.837 124.651 122.820 -0.011 0.000 1.940 101 A HA -0.182 4.120 4.320 -0.031 0.000 0.219 101 A C 2.083 179.676 177.584 0.014 0.000 1.176 101 A CA 1.337 53.378 52.037 0.006 0.000 0.631 101 A CB -0.368 18.635 19.000 0.005 0.000 0.814 101 A HN 0.187 nan 8.150 nan 0.000 0.446 102 R N -0.768 119.735 120.500 0.005 0.000 2.115 102 R HA -0.081 4.241 4.340 -0.031 0.000 0.230 102 R C 2.261 178.571 176.300 0.017 0.000 1.111 102 R CA 1.453 57.555 56.100 0.004 0.000 0.976 102 R CB -0.511 29.786 30.300 -0.005 0.000 0.870 102 R HN 0.677 nan 8.270 nan 0.000 0.445 103 R N 1.051 121.563 120.500 0.020 0.000 2.090 103 R HA -0.084 4.238 4.340 -0.031 0.000 0.228 103 R C 2.034 178.372 176.300 0.063 0.000 1.110 103 R CA 1.284 57.404 56.100 0.034 0.000 0.973 103 R CB 0.005 30.318 30.300 0.021 0.000 0.869 103 R HN 0.224 nan 8.270 nan 0.000 0.440 104 E N -0.342 119.900 120.200 0.069 0.000 2.072 104 E HA -0.145 4.187 4.350 -0.031 0.000 0.191 104 E C 1.749 178.436 176.600 0.145 0.000 0.985 104 E CA 1.298 57.772 56.400 0.123 0.000 0.801 104 E CB 0.189 29.961 29.700 0.120 0.000 0.750 104 E HN 0.184 nan 8.360 nan 0.000 0.452 105 V N 1.194 121.169 119.914 0.101 0.000 2.358 105 V HA -0.213 3.888 4.120 -0.031 0.000 0.246 105 V C 2.348 178.509 176.094 0.111 0.000 1.047 105 V CA 2.006 64.360 62.300 0.091 0.000 1.035 105 V CB -0.389 31.451 31.823 0.029 0.000 0.658 105 V HN 0.336 nan 8.190 nan 0.000 0.452 106 E N -0.128 120.125 120.200 0.088 0.000 2.072 106 E HA -0.147 4.185 4.350 -0.031 0.000 0.190 106 E C 2.272 178.954 176.600 0.136 0.000 0.982 106 E CA 1.063 57.530 56.400 0.111 0.000 0.803 106 E CB -0.012 29.730 29.700 0.069 0.000 0.755 106 E HN 0.532 nan 8.360 nan 0.000 0.453 107 L N -0.286 120.990 121.223 0.089 0.000 2.005 107 L HA -0.186 4.136 4.340 -0.031 0.000 0.207 107 L C 2.669 179.452 176.870 -0.144 0.000 1.072 107 L CA 1.603 56.465 54.840 0.036 0.000 0.744 107 L CB -0.807 41.317 42.059 0.107 0.000 0.895 107 L HN 0.326 nan 8.230 nan 0.000 0.433 108 H N -0.737 118.123 119.070 -0.350 0.000 2.290 108 H HA -0.299 4.239 4.556 -0.029 0.000 0.298 108 H C 2.232 177.395 175.328 -0.275 0.000 1.087 108 H CA 2.004 57.660 56.048 -0.654 0.000 1.291 108 H CB -0.106 29.485 29.762 -0.286 0.000 1.369 108 H HN 0.436 nan 8.280 nan 0.000 0.492 109 W N 2.314 123.567 121.300 -0.078 0.000 2.317 109 W HA -0.254 4.388 4.660 -0.031 0.000 0.318 109 W C 2.041 178.530 176.519 -0.050 0.000 1.227 109 W CA 1.809 59.104 57.345 -0.083 0.000 1.269 109 W CB -0.226 29.192 29.460 -0.070 0.000 1.155 109 W HN 0.295 nan 8.180 nan 0.000 0.484 110 R N 0.365 120.881 120.500 0.028 0.000 2.083 110 R HA -0.149 4.172 4.340 -0.031 0.000 0.237 110 R C 2.445 178.703 176.300 -0.070 0.000 1.137 110 R CA 1.791 57.862 56.100 -0.049 0.000 0.951 110 R CB -1.399 28.939 30.300 0.064 0.000 0.851 110 R HN 0.183 nan 8.270 nan 0.000 0.434 111 A N 1.089 123.871 122.820 -0.065 0.000 2.076 111 A HA -0.171 4.131 4.320 -0.031 0.000 0.220 111 A C 2.162 179.695 177.584 -0.084 0.000 1.160 111 A CA 1.714 53.757 52.037 0.009 0.000 0.653 111 A CB -0.471 18.387 19.000 -0.236 0.000 0.801 111 A HN 0.349 nan 8.150 nan 0.000 0.455 112 S N -1.354 114.229 115.700 -0.194 0.000 2.603 112 S HA -0.107 4.344 4.470 -0.031 0.000 0.229 112 S C 1.854 176.267 174.600 -0.311 0.000 0.972 112 S CA 1.177 59.248 58.200 -0.214 0.000 0.935 112 S CB -0.339 62.681 63.200 -0.299 0.000 0.769 112 S HN 0.565 nan 8.310 nan 0.000 0.536 113 Q N 0.670 120.257 119.800 -0.354 0.000 2.167 113 Q HA 0.087 4.408 4.340 -0.031 0.000 0.202 113 Q C 0.912 176.620 176.000 -0.486 0.000 0.970 113 Q CA 0.634 56.202 55.803 -0.392 0.000 0.855 113 Q CB -0.536 28.016 28.738 -0.310 0.000 0.911 113 Q HN 0.654 nan 8.270 nan 0.000 0.438 114 C N 0.868 119.809 119.300 -0.599 0.000 2.644 114 C HA 0.175 4.617 4.460 -0.031 0.000 0.417 114 C C -1.272 173.532 174.990 -0.310 0.000 1.304 114 C CA -1.556 57.114 59.018 -0.580 0.000 2.035 114 C CB 0.425 27.888 27.740 -0.462 0.000 2.673 114 C HN 0.434 nan 8.230 nan 0.000 0.602 115 P HA -0.004 nan 4.420 nan 0.000 0.233 115 P C 0.632 177.700 177.300 -0.386 0.000 1.167 115 P CA 1.309 64.218 63.100 -0.319 0.000 0.770 115 P CB -0.105 31.377 31.700 -0.363 0.000 0.837 116 H N -1.286 117.741 119.070 -0.072 0.000 2.520 116 H HA 0.303 4.841 4.556 -0.030 0.000 0.284 116 H C 0.554 175.871 175.328 -0.019 0.000 1.037 116 H CA -0.104 55.917 56.048 -0.045 0.000 1.168 116 H CB 0.357 30.092 29.762 -0.045 0.000 1.497 116 H HN 0.207 nan 8.280 nan 0.000 0.547 117 I N 1.279 121.886 120.570 0.062 0.000 2.441 117 I HA 0.070 4.222 4.170 -0.031 0.000 0.295 117 I C 0.309 176.499 176.117 0.122 0.000 0.994 117 I CA -0.981 60.397 61.300 0.130 0.000 1.144 117 I CB 2.913 41.014 38.000 0.169 0.000 1.314 117 I HN -0.166 nan 8.210 nan 0.000 0.445 118 V N 7.258 127.293 119.914 0.202 0.000 2.585 118 V HA 0.170 4.272 4.120 -0.031 0.000 0.296 118 V C 0.425 176.655 176.094 0.226 0.000 1.035 118 V CA 0.004 62.419 62.300 0.192 0.000 1.084 118 V CB 0.718 32.668 31.823 0.213 0.000 0.953 118 V HN 0.779 nan 8.190 nan 0.000 0.483 119 R N 5.240 125.795 120.500 0.091 0.000 2.539 119 R HA 0.451 4.773 4.340 -0.031 0.000 0.275 119 R C -0.199 176.090 176.300 -0.019 0.000 1.077 119 R CA -0.575 55.532 56.100 0.012 0.000 1.097 119 R CB 0.744 31.042 30.300 -0.004 0.000 1.018 119 R HN 0.834 nan 8.270 nan 0.000 0.483 120 I N 4.553 125.067 120.570 -0.094 0.000 2.352 120 I HA -0.013 4.139 4.170 -0.031 0.000 0.290 120 I C 1.075 177.260 176.117 0.113 0.000 1.036 120 I CA -0.184 61.088 61.300 -0.046 0.000 1.336 120 I CB 1.709 39.700 38.000 -0.016 0.000 1.407 120 I HN 0.580 nan 8.210 nan 0.000 0.497 121 V N 5.171 125.146 119.914 0.101 0.000 2.500 121 V HA 0.047 4.149 4.120 -0.031 0.000 0.243 121 V C 0.321 176.472 176.094 0.095 0.000 1.039 121 V CA 1.385 63.756 62.300 0.119 0.000 1.053 121 V CB -0.260 31.609 31.823 0.076 0.000 0.695 121 V HN 0.733 nan 8.190 nan 0.000 0.463 122 D N -2.214 118.204 120.400 0.030 0.000 2.622 122 D HA 0.530 5.152 4.640 -0.031 0.000 0.255 122 D C -1.459 174.791 176.300 -0.083 0.000 1.246 122 D CA -0.090 53.872 54.000 -0.062 0.000 0.795 122 D CB 3.041 43.794 40.800 -0.079 0.000 1.369 122 D HN -0.117 nan 8.370 nan 0.000 0.425 123 V N 1.544 121.333 119.914 -0.207 0.000 2.656 123 V HA 0.503 4.605 4.120 -0.031 0.000 0.307 123 V C -1.148 174.826 176.094 -0.201 0.000 1.051 123 V CA -0.687 61.538 62.300 -0.125 0.000 0.893 123 V CB 1.631 33.370 31.823 -0.141 0.000 0.999 123 V HN 0.437 nan 8.190 nan 0.000 0.426 124 Y N 1.193 121.452 120.300 -0.070 0.000 2.429 124 Y HA 0.508 5.039 4.550 -0.031 0.000 0.342 124 Y C 0.274 176.148 175.900 -0.044 0.000 1.004 124 Y CA -0.718 57.353 58.100 -0.049 0.000 1.075 124 Y CB 1.932 40.375 38.460 -0.029 0.000 1.214 124 Y HN 0.613 nan 8.280 nan 0.000 0.455 125 E N 3.117 123.380 120.200 0.105 0.000 2.092 125 E HA 0.350 4.682 4.350 -0.031 0.000 0.271 125 E C -1.274 175.380 176.600 0.091 0.000 0.919 125 E CA -0.191 56.249 56.400 0.066 0.000 0.760 125 E CB 0.429 30.140 29.700 0.019 0.000 1.106 125 E HN 0.799 nan 8.360 nan 0.000 0.408 126 N N 2.900 121.651 118.700 0.085 0.000 2.571 126 N HA 0.373 5.095 4.740 -0.031 0.000 0.273 126 N C -1.725 173.837 175.510 0.087 0.000 1.340 126 N CA -0.845 52.256 53.050 0.085 0.000 0.789 126 N CB 1.295 39.828 38.487 0.076 0.000 1.514 126 N HN 0.206 nan 8.380 nan 0.000 0.499 127 L N 2.174 123.452 121.223 0.092 0.000 2.272 127 L HA 0.447 4.768 4.340 -0.031 0.000 0.289 127 L C -1.482 175.481 176.870 0.155 0.000 1.032 127 L CA -0.423 54.473 54.840 0.093 0.000 0.810 127 L CB 0.132 42.223 42.059 0.054 0.000 1.205 127 L HN 0.533 nan 8.230 nan 0.000 0.422 128 Y N 4.660 124.962 120.300 0.003 0.000 2.362 128 Y HA 0.548 5.080 4.550 -0.031 0.000 0.326 128 Y C 0.342 176.243 175.900 0.001 0.000 1.083 128 Y CA -0.537 57.563 58.100 0.001 0.000 1.073 128 Y CB 1.548 40.007 38.460 -0.002 0.000 1.211 128 Y HN 0.839 nan 8.280 nan 0.000 0.433 129 A N 4.076 126.532 122.820 -0.607 0.000 2.519 129 A HA 0.016 4.318 4.320 -0.031 0.000 0.297 129 A C 1.748 179.227 177.584 -0.174 0.000 1.472 129 A CA 1.580 53.345 52.037 -0.453 0.000 0.739 129 A CB -2.147 16.512 19.000 -0.569 0.000 1.096 129 A HN 2.639 nan 8.150 nan 0.000 0.414 130 G N -1.249 107.485 108.800 -0.109 0.000 2.366 130 G HA2 -0.398 3.544 3.960 -0.031 0.000 0.263 130 G HA3 -0.398 3.544 3.960 -0.031 0.000 0.263 130 G C 0.482 175.374 174.900 -0.013 0.000 0.986 130 G CA 1.719 46.790 45.100 -0.048 0.000 0.632 130 G HN 1.311 nan 8.290 nan 0.000 0.555 131 R N 0.606 121.107 120.500 0.003 0.000 2.349 131 R HA 0.513 4.835 4.340 -0.031 0.000 0.299 131 R C 0.546 176.885 176.300 0.065 0.000 1.027 131 R CA -0.577 55.545 56.100 0.037 0.000 0.958 131 R CB 0.661 30.994 30.300 0.054 0.000 1.047 131 R HN 0.200 nan 8.270 nan 0.000 0.468 132 K N 3.037 123.467 120.400 0.050 0.000 2.379 132 K HA 0.143 4.445 4.320 -0.031 0.000 0.284 132 K C -1.219 175.416 176.600 0.058 0.000 1.044 132 K CA -0.144 56.173 56.287 0.051 0.000 0.974 132 K CB 0.419 32.938 32.500 0.031 0.000 0.962 132 K HN 0.541 nan 8.250 nan 0.000 0.474 133 C N 4.557 123.896 119.300 0.065 0.000 2.712 133 C HA 0.473 4.915 4.460 -0.031 0.000 0.308 133 C C -0.566 174.445 174.990 0.035 0.000 1.201 133 C CA -1.004 58.044 59.018 0.051 0.000 1.554 133 C CB 0.967 28.742 27.740 0.058 0.000 2.117 133 C HN 0.748 nan 8.230 nan 0.000 0.480 134 L N 3.503 124.739 121.223 0.021 0.000 2.272 134 L HA 0.575 4.897 4.340 -0.031 0.000 0.289 134 L C -0.708 176.169 176.870 0.012 0.000 1.032 134 L CA -0.174 54.678 54.840 0.020 0.000 0.810 134 L CB 0.636 42.703 42.059 0.012 0.000 1.205 134 L HN 0.476 nan 8.230 nan 0.000 0.422 135 L N 5.273 126.515 121.223 0.032 0.000 2.342 135 L HA 0.542 4.864 4.340 -0.031 0.000 0.276 135 L C -0.316 176.575 176.870 0.035 0.000 0.997 135 L CA -0.555 54.288 54.840 0.004 0.000 0.838 135 L CB 1.776 43.808 42.059 -0.044 0.000 1.224 135 L HN 0.522 nan 8.230 nan 0.000 0.416 136 I N 3.610 124.184 120.570 0.008 0.000 2.416 136 I HA 0.188 4.340 4.170 -0.031 0.000 0.288 136 I C 0.023 176.123 176.117 -0.028 0.000 1.051 136 I CA -0.433 60.866 61.300 -0.001 0.000 1.375 136 I CB 1.758 39.762 38.000 0.006 0.000 1.407 136 I HN 0.298 nan 8.210 nan 0.000 0.516 137 V N 7.990 127.882 119.914 -0.036 0.000 2.333 137 V HA 0.368 4.469 4.120 -0.031 0.000 0.274 137 V C 0.271 176.353 176.094 -0.020 0.000 1.028 137 V CA -0.344 61.898 62.300 -0.097 0.000 0.851 137 V CB 1.107 32.793 31.823 -0.228 0.000 1.000 137 V HN 0.676 nan 8.190 nan 0.000 0.456 138 M N 3.405 123.024 119.600 0.032 0.000 2.654 138 M HA 0.469 4.931 4.480 -0.031 0.000 0.310 138 M C 0.393 176.812 176.300 0.198 0.000 1.211 138 M CA -0.640 54.712 55.300 0.087 0.000 0.947 138 M CB 1.481 34.129 32.600 0.081 0.000 1.647 138 M HN 0.751 nan 8.290 nan 0.000 0.481 139 E N -0.146 120.155 120.200 0.169 0.000 2.436 139 E HA 0.071 4.402 4.350 -0.031 0.000 0.262 139 E C -0.915 175.699 176.600 0.023 0.000 1.063 139 E CA -0.562 55.904 56.400 0.111 0.000 0.944 139 E CB 0.621 30.353 29.700 0.054 0.000 0.950 139 E HN 0.547 nan 8.360 nan 0.000 0.444 140 C N 4.320 123.558 119.300 -0.103 0.000 2.347 140 C HA 0.332 4.774 4.460 -0.031 0.000 0.353 140 C C -0.323 174.632 174.990 -0.058 0.000 1.273 140 C CA -0.633 58.329 59.018 -0.094 0.000 1.861 140 C CB -0.922 26.706 27.740 -0.188 0.000 2.420 140 C HN 0.631 nan 8.230 nan 0.000 0.542 141 L N 7.306 128.522 121.223 -0.011 0.000 2.337 141 L HA 0.321 4.643 4.340 -0.031 0.000 0.269 141 L C 0.295 177.182 176.870 0.028 0.000 1.018 141 L CA 0.103 54.953 54.840 0.017 0.000 0.876 141 L CB 1.244 43.326 42.059 0.038 0.000 1.236 141 L HN 0.805 nan 8.230 nan 0.000 0.436 142 D N 0.565 120.979 120.400 0.023 0.000 2.325 142 D HA -0.008 4.613 4.640 -0.031 0.000 0.225 142 D C 1.528 177.860 176.300 0.054 0.000 1.096 142 D CA -0.035 53.983 54.000 0.031 0.000 0.844 142 D CB 0.402 41.211 40.800 0.015 0.000 0.925 142 D HN 0.493 nan 8.370 nan 0.000 0.513 143 G N -0.224 108.629 108.800 0.089 0.000 2.848 143 G HA2 0.357 4.299 3.960 -0.031 0.000 0.208 143 G HA3 0.357 4.299 3.960 -0.031 0.000 0.208 143 G C 0.963 175.942 174.900 0.133 0.000 1.152 143 G CA 0.018 45.188 45.100 0.116 0.000 0.789 143 G HN 0.694 nan 8.290 nan 0.000 0.531 144 G N -0.086 108.786 108.800 0.120 0.000 2.814 144 G HA2 -0.148 3.794 3.960 -0.031 0.000 0.677 144 G HA3 -0.148 3.794 3.960 -0.031 0.000 0.677 144 G C -0.254 174.744 174.900 0.164 0.000 1.429 144 G CA -0.320 44.853 45.100 0.122 0.000 0.868 144 G HN 0.565 nan 8.290 nan 0.000 0.553 145 E N 0.134 120.416 120.200 0.137 0.000 2.374 145 E HA 0.435 4.767 4.350 -0.031 0.000 0.260 145 E C 1.602 178.277 176.600 0.126 0.000 1.101 145 E CA -0.403 56.062 56.400 0.108 0.000 0.907 145 E CB 1.131 30.902 29.700 0.120 0.000 1.014 145 E HN 0.657 nan 8.360 nan 0.000 0.427 146 L N 1.174 122.382 121.223 -0.026 0.000 1.978 146 L HA -0.248 4.073 4.340 -0.031 0.000 0.218 146 L C 1.791 178.599 176.870 -0.103 0.000 1.075 146 L CA 1.925 56.684 54.840 -0.135 0.000 0.767 146 L CB -0.562 41.216 42.059 -0.470 0.000 0.890 146 L HN 0.670 nan 8.230 nan 0.000 0.434 147 F N -0.771 119.247 119.950 0.114 0.000 2.407 147 F HA -0.108 4.401 4.527 -0.031 0.000 0.299 147 F C 2.411 178.221 175.800 0.017 0.000 1.097 147 F CA 0.825 58.850 58.000 0.043 0.000 1.422 147 F CB -0.508 38.551 39.000 0.097 0.000 1.067 147 F HN 0.093 nan 8.300 nan 0.000 0.539 148 S N 0.120 115.954 115.700 0.223 0.000 2.356 148 S HA -0.228 4.224 4.470 -0.031 0.000 0.223 148 S C 1.970 176.612 174.600 0.070 0.000 1.032 148 S CA 1.272 59.554 58.200 0.138 0.000 1.005 148 S CB -0.312 62.969 63.200 0.135 0.000 0.867 148 S HN 0.239 nan 8.310 nan 0.000 0.449 149 R N 1.251 121.798 120.500 0.079 0.000 2.070 149 R HA 0.001 4.323 4.340 -0.031 0.000 0.233 149 R C 2.021 178.307 176.300 -0.023 0.000 1.137 149 R CA 1.316 57.426 56.100 0.017 0.000 0.945 149 R CB -0.653 29.655 30.300 0.013 0.000 0.845 149 R HN 0.260 nan 8.270 nan 0.000 0.430 150 I N 1.732 122.282 120.570 -0.033 0.000 2.315 150 I HA -0.303 3.848 4.170 -0.031 0.000 0.251 150 I C 2.155 178.180 176.117 -0.153 0.000 1.125 150 I CA 1.708 62.910 61.300 -0.165 0.000 1.392 150 I CB -1.481 36.310 38.000 -0.348 0.000 1.065 150 I HN 0.486 nan 8.210 nan 0.000 0.424 151 Q N 0.196 119.939 119.800 -0.095 0.000 2.425 151 Q HA -0.105 4.216 4.340 -0.031 0.000 0.204 151 Q C 1.687 177.650 176.000 -0.061 0.000 0.933 151 Q CA 0.711 56.455 55.803 -0.099 0.000 0.939 151 Q CB -0.329 28.334 28.738 -0.125 0.000 1.044 151 Q HN 0.522 nan 8.270 nan 0.000 0.513 152 D N 2.732 123.107 120.400 -0.042 0.000 2.092 152 D HA -0.219 4.403 4.640 -0.031 0.000 0.193 152 D C 0.667 176.947 176.300 -0.033 0.000 0.994 152 D CA 1.068 55.049 54.000 -0.031 0.000 0.828 152 D CB -0.077 40.706 40.800 -0.029 0.000 0.963 152 D HN 0.461 nan 8.370 nan 0.000 0.450 153 R N 0.020 120.500 120.500 -0.035 0.000 2.861 153 R HA 0.278 4.600 4.340 -0.031 0.000 0.268 153 R C 1.115 177.401 176.300 -0.023 0.000 1.027 153 R CA 0.165 56.251 56.100 -0.023 0.000 1.163 153 R CB 0.215 30.511 30.300 -0.007 0.000 1.060 153 R HN 0.048 nan 8.270 nan 0.000 0.483 154 G N 0.309 109.098 108.800 -0.018 0.000 3.311 154 G HA2 -0.056 3.886 3.960 -0.031 0.000 0.169 154 G HA3 -0.056 3.886 3.960 -0.031 0.000 0.169 154 G C -0.055 174.834 174.900 -0.019 0.000 1.852 154 G CA -0.085 45.004 45.100 -0.019 0.000 1.010 154 G HN 0.777 nan 8.290 nan 0.000 0.530 155 D N 0.990 121.379 120.400 -0.018 0.000 2.328 155 D HA 0.028 4.650 4.640 -0.031 0.000 0.226 155 D C 0.685 176.973 176.300 -0.019 0.000 1.066 155 D CA 0.206 54.193 54.000 -0.021 0.000 0.861 155 D CB 0.077 40.864 40.800 -0.021 0.000 0.912 155 D HN 0.478 nan 8.370 nan 0.000 0.521 156 Q N 0.700 120.494 119.800 -0.011 0.000 2.259 156 Q HA 0.560 4.881 4.340 -0.031 0.000 0.246 156 Q C -0.045 175.960 176.000 0.009 0.000 0.920 156 Q CA -0.729 55.070 55.803 -0.006 0.000 0.895 156 Q CB 1.458 30.194 28.738 -0.004 0.000 1.220 156 Q HN -0.086 nan 8.270 nan 0.000 0.439 157 A N 2.142 124.964 122.820 0.004 0.000 2.466 157 A HA 0.244 4.545 4.320 -0.031 0.000 0.238 157 A C -0.919 176.719 177.584 0.091 0.000 1.074 157 A CA -0.100 51.947 52.037 0.017 0.000 0.774 157 A CB -0.008 18.977 19.000 -0.025 0.000 1.015 157 A HN 0.659 nan 8.150 nan 0.000 0.498 158 F N 2.501 122.418 119.950 -0.056 0.000 2.382 158 F HA 0.484 4.992 4.527 -0.031 0.000 0.361 158 F C 0.655 176.428 175.800 -0.046 0.000 1.109 158 F CA -0.117 57.857 58.000 -0.044 0.000 1.031 158 F CB 1.242 40.221 39.000 -0.035 0.000 1.234 158 F HN 0.710 nan 8.300 nan 0.000 0.445 159 T N 0.772 115.054 114.554 -0.453 0.000 2.944 159 T HA 0.272 4.604 4.350 -0.031 0.000 0.284 159 T C 1.033 175.490 174.700 -0.405 0.000 1.010 159 T CA -0.506 61.402 62.100 -0.320 0.000 1.025 159 T CB 1.604 70.346 68.868 -0.209 0.000 1.079 159 T HN 0.752 nan 8.240 nan 0.000 0.516 160 E N 0.290 120.370 120.200 -0.200 0.000 2.097 160 E HA -0.241 4.091 4.350 -0.031 0.000 0.196 160 E C 2.214 178.703 176.600 -0.187 0.000 1.000 160 E CA 1.113 57.461 56.400 -0.087 0.000 0.804 160 E CB -0.011 29.719 29.700 0.050 0.000 0.740 160 E HN 0.673 nan 8.360 nan 0.000 0.454 161 R N 0.879 121.234 120.500 -0.242 0.000 2.097 161 R HA -0.210 4.112 4.340 -0.031 0.000 0.236 161 R C 2.293 178.382 176.300 -0.352 0.000 1.135 161 R CA 2.137 58.049 56.100 -0.313 0.000 0.934 161 R CB -0.300 29.859 30.300 -0.235 0.000 0.846 161 R HN 0.219 nan 8.270 nan 0.000 0.431 162 E N -0.621 119.360 120.200 -0.365 0.000 2.086 162 E HA -0.295 4.036 4.350 -0.031 0.000 0.200 162 E C 1.765 178.156 176.600 -0.348 0.000 1.012 162 E CA 1.630 57.801 56.400 -0.381 0.000 0.812 162 E CB -0.217 29.163 29.700 -0.532 0.000 0.743 162 E HN 0.495 nan 8.360 nan 0.000 0.453 163 A N 0.502 123.080 122.820 -0.403 0.000 1.908 163 A HA -0.238 4.063 4.320 -0.031 0.000 0.218 163 A C 2.334 179.833 177.584 -0.142 0.000 1.181 163 A CA 2.135 54.114 52.037 -0.097 0.000 0.627 163 A CB -1.015 18.052 19.000 0.112 0.000 0.818 163 A HN 0.402 nan 8.150 nan 0.000 0.445 164 S N -0.400 114.975 115.700 -0.542 0.000 2.383 164 S HA -0.242 4.209 4.470 -0.031 0.000 0.229 164 S C 1.827 176.165 174.600 -0.437 0.000 1.030 164 S CA 1.919 59.531 58.200 -0.980 0.000 1.002 164 S CB -0.385 61.992 63.200 -1.371 0.000 0.829 164 S HN 0.671 nan 8.310 nan 0.000 0.467 165 E N 0.188 120.208 120.200 -0.301 0.000 2.112 165 E HA 0.054 4.386 4.350 -0.031 0.000 0.190 165 E C 2.098 178.633 176.600 -0.107 0.000 0.979 165 E CA 1.059 57.345 56.400 -0.189 0.000 0.814 165 E CB -0.181 29.427 29.700 -0.152 0.000 0.762 165 E HN 0.563 nan 8.360 nan 0.000 0.460 166 I N 0.867 121.400 120.570 -0.061 0.000 2.163 166 I HA -0.296 3.856 4.170 -0.031 0.000 0.243 166 I C 2.387 178.496 176.117 -0.013 0.000 1.085 166 I CA 0.907 62.202 61.300 -0.008 0.000 1.347 166 I CB -0.174 37.869 38.000 0.070 0.000 1.044 166 I HN 0.214 nan 8.210 nan 0.000 0.408 167 M N 0.310 119.936 119.600 0.044 0.000 2.213 167 M HA -0.206 4.256 4.480 -0.031 0.000 0.263 167 M C 2.258 178.655 176.300 0.161 0.000 1.062 167 M CA 1.598 56.999 55.300 0.169 0.000 1.105 167 M CB -0.998 31.815 32.600 0.355 0.000 1.385 167 M HN 0.205 nan 8.290 nan 0.000 0.417 168 K N 0.400 120.809 120.400 0.015 0.000 2.057 168 K HA -0.105 4.196 4.320 -0.031 0.000 0.206 168 K C 1.982 178.529 176.600 -0.088 0.000 1.050 168 K CA 1.834 58.115 56.287 -0.010 0.000 0.935 168 K CB 0.079 32.527 32.500 -0.087 0.000 0.715 168 K HN 0.306 nan 8.250 nan 0.000 0.439 169 S N 0.891 116.472 115.700 -0.197 0.000 2.368 169 S HA -0.142 4.310 4.470 -0.031 0.000 0.224 169 S C 2.024 176.374 174.600 -0.418 0.000 1.029 169 S CA 1.273 59.172 58.200 -0.501 0.000 0.988 169 S CB -0.612 62.228 63.200 -0.599 0.000 0.838 169 S HN 0.296 nan 8.310 nan 0.000 0.462 170 I N 2.807 123.248 120.570 -0.214 0.000 2.163 170 I HA -0.123 4.028 4.170 -0.031 0.000 0.243 170 I C 2.925 178.972 176.117 -0.118 0.000 1.085 170 I CA 1.284 62.487 61.300 -0.160 0.000 1.347 170 I CB -1.156 36.772 38.000 -0.120 0.000 1.044 170 I HN 0.446 nan 8.210 nan 0.000 0.408 171 G N 0.109 108.896 108.800 -0.021 0.000 2.505 171 G HA2 -0.320 3.622 3.960 -0.031 0.000 0.220 171 G HA3 -0.320 3.622 3.960 -0.031 0.000 0.220 171 G C 1.553 176.461 174.900 0.013 0.000 1.145 171 G CA 1.107 46.242 45.100 0.058 0.000 0.761 171 G HN 0.406 nan 8.290 nan 0.000 0.571 172 E N 0.166 120.347 120.200 -0.031 0.000 2.110 172 E HA -0.003 4.328 4.350 -0.031 0.000 0.193 172 E C 2.893 179.539 176.600 0.076 0.000 0.988 172 E CA 0.874 57.289 56.400 0.025 0.000 0.804 172 E CB -0.190 29.514 29.700 0.006 0.000 0.745 172 E HN 0.425 nan 8.360 nan 0.000 0.458 173 A N 1.123 123.957 122.820 0.024 0.000 1.845 173 A HA -0.192 4.110 4.320 -0.031 0.000 0.215 173 A C 2.057 179.662 177.584 0.034 0.000 1.195 173 A CA 1.335 53.412 52.037 0.068 0.000 0.616 173 A CB -0.536 18.470 19.000 0.011 0.000 0.832 173 A HN 0.188 nan 8.150 nan 0.000 0.443 174 I N 0.192 120.704 120.570 -0.097 0.000 2.361 174 I HA -0.247 3.905 4.170 -0.031 0.000 0.251 174 I C 2.579 178.527 176.117 -0.282 0.000 1.133 174 I CA 1.870 63.014 61.300 -0.260 0.000 1.413 174 I CB -1.593 36.165 38.000 -0.403 0.000 1.073 174 I HN 0.626 nan 8.210 nan 0.000 0.424 175 Q N 0.610 120.357 119.800 -0.089 0.000 2.050 175 Q HA -0.270 4.052 4.340 -0.031 0.000 0.202 175 Q C 2.495 178.529 176.000 0.058 0.000 0.980 175 Q CA 1.836 57.637 55.803 -0.004 0.000 0.840 175 Q CB -0.388 28.393 28.738 0.072 0.000 0.898 175 Q HN 0.480 nan 8.270 nan 0.000 0.424 176 Y N 0.810 121.118 120.300 0.013 0.000 2.114 176 Y HA -0.235 4.297 4.550 -0.030 0.000 0.284 176 Y C 1.844 177.789 175.900 0.075 0.000 1.143 176 Y CA 1.872 59.997 58.100 0.042 0.000 1.135 176 Y CB -0.311 38.174 38.460 0.042 0.000 0.980 176 Y HN 0.125 nan 8.280 nan 0.000 0.499 177 L N -0.603 120.725 121.223 0.176 0.000 1.997 177 L HA -0.367 3.955 4.340 -0.031 0.000 0.216 177 L C 2.418 179.378 176.870 0.152 0.000 1.074 177 L CA 2.219 57.168 54.840 0.181 0.000 0.763 177 L CB -1.051 41.191 42.059 0.305 0.000 0.890 177 L HN 0.420 nan 8.230 nan 0.000 0.434 178 H N -1.065 118.013 119.070 0.013 0.000 2.491 178 H HA -0.090 4.448 4.556 -0.031 0.000 0.290 178 H C 2.430 177.727 175.328 -0.052 0.000 1.050 178 H CA 0.881 56.930 56.048 0.001 0.000 1.309 178 H CB 0.125 29.903 29.762 0.026 0.000 1.392 178 H HN 0.435 nan 8.280 nan 0.000 0.554 179 S N 1.203 116.899 115.700 -0.006 0.000 2.561 179 S HA -0.043 4.408 4.470 -0.031 0.000 0.225 179 S C 1.636 176.144 174.600 -0.153 0.000 0.977 179 S CA 0.466 58.615 58.200 -0.085 0.000 0.926 179 S CB -0.563 62.566 63.200 -0.118 0.000 0.769 179 S HN 0.596 nan 8.310 nan 0.000 0.533 180 I N -2.559 117.899 120.570 -0.186 0.000 4.025 180 I HA 0.473 4.625 4.170 -0.031 0.000 0.336 180 I C -0.377 175.715 176.117 -0.042 0.000 1.390 180 I CA -0.536 60.676 61.300 -0.146 0.000 1.099 180 I CB -0.750 37.117 38.000 -0.220 0.000 1.049 180 I HN 0.096 nan 8.210 nan 0.000 0.394 181 N N 1.180 119.873 118.700 -0.011 0.000 2.869 181 N HA -0.115 4.607 4.740 -0.031 0.000 0.249 181 N C -0.573 174.960 175.510 0.038 0.000 1.104 181 N CA 0.728 53.783 53.050 0.008 0.000 0.760 181 N CB -1.834 36.653 38.487 -0.000 0.000 1.108 181 N HN 0.497 nan 8.380 nan 0.000 0.555 182 I N 0.163 120.786 120.570 0.089 0.000 2.460 182 I HA 0.675 4.827 4.170 -0.031 0.000 0.298 182 I C 0.402 176.640 176.117 0.202 0.000 0.989 182 I CA -0.984 60.406 61.300 0.150 0.000 1.173 182 I CB 1.659 39.788 38.000 0.215 0.000 1.338 182 I HN 0.152 nan 8.210 nan 0.000 0.456 183 A N 4.023 126.937 122.820 0.157 0.000 2.330 183 A HA 0.333 4.635 4.320 -0.031 0.000 0.327 183 A C 0.389 178.099 177.584 0.211 0.000 1.155 183 A CA -0.444 51.698 52.037 0.174 0.000 0.803 183 A CB 0.585 19.622 19.000 0.062 0.000 1.208 183 A HN 0.919 nan 8.150 nan 0.000 0.477 184 H N 1.925 121.069 119.070 0.123 0.000 2.415 184 H HA 0.008 4.545 4.556 -0.032 0.000 0.297 184 H C 0.708 176.037 175.328 0.001 0.000 1.048 184 H CA 1.548 57.588 56.048 -0.013 0.000 1.365 184 H CB 0.097 29.777 29.762 -0.135 0.000 1.421 184 H HN 0.933 nan 8.280 nan 0.000 0.533 185 R N -0.278 120.312 120.500 0.150 0.000 3.977 185 R HA -0.199 4.123 4.340 -0.031 0.000 0.428 185 R C -0.628 175.674 176.300 0.004 0.000 1.079 185 R CA 1.281 57.428 56.100 0.080 0.000 1.269 185 R CB -1.450 28.899 30.300 0.082 0.000 1.856 185 R HN 0.332 nan 8.270 nan 0.000 0.551 186 D N -0.067 120.397 120.400 0.107 0.000 3.060 186 D HA 0.193 4.814 4.640 -0.031 0.000 0.326 186 D C -1.227 175.150 176.300 0.129 0.000 1.253 186 D CA -0.165 53.804 54.000 -0.052 0.000 0.737 186 D CB 0.916 41.487 40.800 -0.382 0.000 1.260 186 D HN -0.031 nan 8.370 nan 0.000 0.542 187 V N 3.163 123.122 119.914 0.075 0.000 2.320 187 V HA 0.386 4.488 4.120 -0.031 0.000 0.265 187 V C 0.066 176.140 176.094 -0.034 0.000 1.048 187 V CA -0.133 62.113 62.300 -0.090 0.000 0.865 187 V CB 0.623 32.360 31.823 -0.143 0.000 1.043 187 V HN 0.281 nan 8.190 nan 0.000 0.474 188 K N 4.931 125.311 120.400 -0.033 0.000 2.508 188 K HA 0.626 4.928 4.320 -0.031 0.000 0.260 188 K C -2.570 174.054 176.600 0.039 0.000 0.949 188 K CA -1.897 54.398 56.287 0.015 0.000 0.834 188 K CB 2.174 34.665 32.500 -0.014 0.000 1.365 188 K HN 0.042 nan 8.250 nan 0.000 0.437 189 P HA -0.239 nan 4.420 nan 0.000 0.218 189 P C 0.204 177.588 177.300 0.140 0.000 1.152 189 P CA 1.562 64.807 63.100 0.243 0.000 0.857 189 P CB 0.121 32.166 31.700 0.575 0.000 0.787 190 E N -1.063 119.189 120.200 0.087 0.000 2.478 190 E HA -0.054 4.278 4.350 -0.031 0.000 0.198 190 E C 1.259 177.875 176.600 0.027 0.000 1.046 190 E CA 0.597 57.031 56.400 0.056 0.000 0.870 190 E CB -1.003 28.705 29.700 0.013 0.000 0.818 190 E HN 0.481 nan 8.360 nan 0.000 0.527 191 N N -0.364 118.336 118.700 0.000 0.000 2.184 191 N HA 0.168 4.889 4.740 -0.031 0.000 0.206 191 N C -0.723 174.746 175.510 -0.069 0.000 1.151 191 N CA -0.122 52.914 53.050 -0.023 0.000 0.878 191 N CB 0.567 39.036 38.487 -0.030 0.000 1.014 191 N HN 0.029 nan 8.380 nan 0.000 0.512 192 L N 2.126 123.298 121.223 -0.085 0.000 2.265 192 L HA 0.496 4.817 4.340 -0.031 0.000 0.289 192 L C -0.731 176.044 176.870 -0.160 0.000 1.033 192 L CA -0.312 54.437 54.840 -0.152 0.000 0.814 192 L CB 1.190 43.127 42.059 -0.203 0.000 1.203 192 L HN -0.134 nan 8.230 nan 0.000 0.423 193 L N 2.528 123.656 121.223 -0.158 0.000 2.341 193 L HA 0.538 4.860 4.340 -0.031 0.000 0.267 193 L C -1.005 175.753 176.870 -0.187 0.000 1.009 193 L CA -0.867 53.909 54.840 -0.106 0.000 0.819 193 L CB 2.036 44.088 42.059 -0.010 0.000 1.323 193 L HN 0.310 nan 8.230 nan 0.000 0.425 194 Y N -0.132 120.173 120.300 0.008 0.000 2.323 194 Y HA 0.123 4.655 4.550 -0.030 0.000 0.331 194 Y C 1.616 177.520 175.900 0.008 0.000 1.092 194 Y CA -0.466 57.639 58.100 0.008 0.000 1.150 194 Y CB 1.861 40.322 38.460 0.002 0.000 1.200 194 Y HN 0.725 nan 8.280 nan 0.000 0.472 195 T N -1.669 113.004 114.554 0.197 0.000 2.849 195 T HA -0.004 4.328 4.350 -0.031 0.000 0.270 195 T C 0.443 175.188 174.700 0.075 0.000 1.066 195 T CA 1.201 63.359 62.100 0.097 0.000 1.130 195 T CB -0.279 68.627 68.868 0.064 0.000 0.864 195 T HN 0.603 nan 8.240 nan 0.000 0.481 196 S N -1.147 114.608 115.700 0.092 0.000 2.656 196 S HA 0.372 4.824 4.470 -0.031 0.000 0.265 196 S C -0.172 174.430 174.600 0.004 0.000 1.110 196 S CA -1.136 57.086 58.200 0.038 0.000 0.821 196 S CB 1.221 64.429 63.200 0.014 0.000 1.099 196 S HN 0.033 nan 8.310 nan 0.000 0.471 197 K N -0.263 120.128 120.400 -0.015 0.000 2.432 197 K HA 0.138 4.440 4.320 -0.031 0.000 0.196 197 K C 0.387 176.950 176.600 -0.061 0.000 1.038 197 K CA 0.141 56.398 56.287 -0.049 0.000 0.986 197 K CB -0.158 32.323 32.500 -0.032 0.000 0.782 197 K HN 0.334 nan 8.250 nan 0.000 0.485 198 R N 1.666 122.142 120.500 -0.040 0.000 2.697 198 R HA -0.054 4.267 4.340 -0.031 0.000 0.265 198 R C -1.431 174.838 176.300 -0.052 0.000 1.009 198 R CA -0.699 55.379 56.100 -0.036 0.000 1.099 198 R CB 0.115 30.404 30.300 -0.019 0.000 0.965 198 R HN 0.013 nan 8.270 nan 0.000 0.428 199 P HA -0.075 nan 4.420 nan 0.000 0.241 199 P C -0.477 176.797 177.300 -0.042 0.000 1.191 199 P CA 1.044 64.111 63.100 -0.055 0.000 0.771 199 P CB 0.433 32.108 31.700 -0.042 0.000 0.929 200 N N 0.094 118.780 118.700 -0.023 0.000 2.467 200 N HA 0.251 4.973 4.740 -0.031 0.000 0.278 200 N C -0.006 175.518 175.510 0.023 0.000 1.306 200 N CA -0.206 52.843 53.050 -0.002 0.000 0.905 200 N CB 0.821 39.308 38.487 -0.000 0.000 1.236 200 N HN 0.064 nan 8.380 nan 0.000 0.509 201 A N 0.824 123.657 122.820 0.022 0.000 2.466 201 A HA 0.313 4.615 4.320 -0.031 0.000 0.238 201 A C 0.369 178.074 177.584 0.201 0.000 1.074 201 A CA 0.314 52.405 52.037 0.089 0.000 0.774 201 A CB 0.430 19.472 19.000 0.070 0.000 1.015 201 A HN 0.312 nan 8.150 nan 0.000 0.498 202 I N 0.500 121.199 120.570 0.215 0.000 2.648 202 I HA 0.320 4.471 4.170 -0.031 0.000 0.304 202 I C -0.501 175.721 176.117 0.174 0.000 1.009 202 I CA -0.744 60.678 61.300 0.202 0.000 1.114 202 I CB 1.778 39.821 38.000 0.072 0.000 1.293 202 I HN 0.565 nan 8.210 nan 0.000 0.449 203 L N 5.899 127.156 121.223 0.055 0.000 2.289 203 L HA 0.462 4.784 4.340 -0.031 0.000 0.285 203 L C -0.714 176.136 176.870 -0.034 0.000 1.049 203 L CA 0.158 54.830 54.840 -0.279 0.000 0.804 203 L CB 0.526 42.325 42.059 -0.433 0.000 1.195 203 L HN 0.467 nan 8.230 nan 0.000 0.428 204 K N 3.741 124.086 120.400 -0.093 0.000 2.426 204 K HA 0.520 4.822 4.320 -0.031 0.000 0.251 204 K C -1.616 174.960 176.600 -0.041 0.000 0.941 204 K CA -0.945 55.341 56.287 -0.000 0.000 0.808 204 K CB 2.251 34.766 32.500 0.026 0.000 1.265 204 K HN 0.396 nan 8.250 nan 0.000 0.432 205 L N 1.310 122.525 121.223 -0.014 0.000 2.350 205 L HA 0.475 4.797 4.340 -0.031 0.000 0.275 205 L C -0.214 176.662 176.870 0.011 0.000 1.099 205 L CA 0.771 55.564 54.840 -0.078 0.000 0.808 205 L CB 1.550 43.512 42.059 -0.161 0.000 1.149 205 L HN 0.683 nan 8.230 nan 0.000 0.442 206 T N 2.321 116.864 114.554 -0.019 0.000 2.831 206 T HA 0.442 4.773 4.350 -0.031 0.000 0.287 206 T C -1.498 173.231 174.700 0.048 0.000 1.070 206 T CA -0.209 61.941 62.100 0.083 0.000 1.010 206 T CB 0.763 69.701 68.868 0.117 0.000 1.264 206 T HN 0.846 nan 8.240 nan 0.000 0.532 207 D N 0.562 121.022 120.400 0.100 0.000 4.161 207 D HA -0.150 4.472 4.640 -0.031 0.000 0.246 207 D C -0.634 175.566 176.300 -0.167 0.000 1.064 207 D CA 0.328 54.369 54.000 0.069 0.000 1.187 207 D CB -1.193 39.654 40.800 0.077 0.000 0.871 207 D HN 0.434 nan 8.370 nan 0.000 0.413 208 F N 0.908 120.809 119.950 -0.081 0.000 2.660 208 F HA 0.340 4.849 4.527 -0.029 0.000 0.297 208 F C 2.284 178.054 175.800 -0.050 0.000 1.132 208 F CA 0.279 58.199 58.000 -0.133 0.000 1.372 208 F CB 0.513 39.441 39.000 -0.121 0.000 1.003 208 F HN 0.391 nan 8.300 nan 0.000 0.524 209 G N -0.727 108.132 108.800 0.098 0.000 2.535 209 G HA2 -0.222 3.719 3.960 -0.031 0.000 0.218 209 G HA3 -0.222 3.719 3.960 -0.031 0.000 0.218 209 G C 1.086 175.915 174.900 -0.117 0.000 1.122 209 G CA 0.667 45.792 45.100 0.041 0.000 0.769 209 G HN 0.440 nan 8.290 nan 0.000 0.549 210 F N 0.288 120.145 119.950 -0.154 0.000 2.729 210 F HA 0.538 5.046 4.527 -0.031 0.000 0.315 210 F C 1.382 177.114 175.800 -0.114 0.000 1.102 210 F CA -0.764 57.163 58.000 -0.122 0.000 1.204 210 F CB 0.675 39.596 39.000 -0.132 0.000 1.052 210 F HN 0.136 nan 8.300 nan 0.000 0.551 211 A N 1.505 124.345 122.820 0.033 0.000 2.407 211 A HA 0.523 4.825 4.320 -0.031 0.000 0.248 211 A C 0.016 177.655 177.584 0.093 0.000 1.082 211 A CA 0.087 52.166 52.037 0.070 0.000 0.785 211 A CB 0.519 19.663 19.000 0.239 0.000 1.020 211 A HN 0.294 nan 8.150 nan 0.000 0.489 212 K N 0.574 121.031 120.400 0.095 0.000 2.527 212 K HA 0.319 4.621 4.320 -0.031 0.000 0.260 212 K C -0.925 175.713 176.600 0.063 0.000 0.937 212 K CA -0.477 55.848 56.287 0.063 0.000 0.826 212 K CB 2.182 34.706 32.500 0.040 0.000 1.359 212 K HN 0.896 nan 8.250 nan 0.000 0.434 213 E N 0.741 120.969 120.200 0.046 0.000 2.319 213 E HA 0.264 4.596 4.350 -0.031 0.000 0.268 213 E C -1.151 175.459 176.600 0.016 0.000 1.050 213 E CA -0.391 56.032 56.400 0.038 0.000 0.878 213 E CB 1.139 30.859 29.700 0.034 0.000 1.066 213 E HN 0.416 nan 8.360 nan 0.000 0.406 214 T N 2.508 117.066 114.554 0.006 0.000 2.809 214 T HA 0.506 4.837 4.350 -0.031 0.000 0.296 214 T C -0.797 173.900 174.700 -0.006 0.000 1.015 214 T CA -0.583 61.512 62.100 -0.008 0.000 0.954 214 T CB 1.346 70.202 68.868 -0.019 0.000 0.950 214 T HN 0.506 nan 8.240 nan 0.000 0.450 228 Y N -0.261 119.726 120.300 -0.521 0.000 2.497 228 Y HA -0.035 4.496 4.550 -0.031 0.000 0.292 228 Y C 1.234 177.007 175.900 -0.212 0.000 1.137 228 Y CA 1.045 58.982 58.100 -0.271 0.000 1.285 228 Y CB -1.000 37.402 38.460 -0.096 0.000 0.991 228 Y HN 0.444 nan 8.280 nan 0.000 0.556 229 Y N -1.584 118.711 120.300 -0.009 0.000 2.481 229 Y HA 0.514 5.045 4.550 -0.031 0.000 0.247 229 Y C 0.346 176.255 175.900 0.015 0.000 1.151 229 Y CA -1.672 56.468 58.100 0.067 0.000 1.238 229 Y CB -0.979 37.462 38.460 -0.031 0.000 1.179 229 Y HN -0.073 nan 8.280 nan 0.000 0.524 230 V N 2.376 122.255 119.914 -0.059 0.000 2.686 230 V HA 0.629 4.731 4.120 -0.031 0.000 0.295 230 V C 0.585 176.710 176.094 0.051 0.000 1.055 230 V CA -0.547 61.775 62.300 0.036 0.000 1.050 230 V CB 0.490 32.279 31.823 -0.056 0.000 0.984 230 V HN 0.532 nan 8.190 nan 0.000 0.482 231 A N 7.486 130.346 122.820 0.067 0.000 2.332 231 A HA 0.543 4.845 4.320 -0.031 0.000 0.258 231 A C -1.411 176.198 177.584 0.042 0.000 1.087 231 A CA -1.024 51.048 52.037 0.059 0.000 0.802 231 A CB -0.047 18.989 19.000 0.060 0.000 1.042 231 A HN 0.765 nan 8.150 nan 0.000 0.489 232 P HA -0.184 nan 4.420 nan 0.000 0.216 232 P C 0.797 178.116 177.300 0.032 0.000 1.153 232 P CA 1.779 64.900 63.100 0.035 0.000 0.858 232 P CB 0.109 31.834 31.700 0.042 0.000 0.789 233 E N -0.566 119.656 120.200 0.037 0.000 2.058 233 E HA -0.139 4.193 4.350 -0.031 0.000 0.194 233 E C 2.009 178.624 176.600 0.025 0.000 0.997 233 E CA 1.063 57.483 56.400 0.034 0.000 0.801 233 E CB -1.572 28.151 29.700 0.038 0.000 0.746 233 E HN 0.035 nan 8.360 nan 0.000 0.450 234 V N 0.836 120.766 119.914 0.025 0.000 2.594 234 V HA -0.173 3.928 4.120 -0.031 0.000 0.253 234 V C 1.207 177.308 176.094 0.011 0.000 1.069 234 V CA 1.142 63.454 62.300 0.020 0.000 1.082 234 V CB -0.653 31.186 31.823 0.026 0.000 0.680 234 V HN 0.230 nan 8.190 nan 0.000 0.469 235 L N 1.562 122.791 121.223 0.009 0.000 2.583 235 L HA 0.570 4.892 4.340 -0.031 0.000 0.239 235 L C 0.823 177.696 176.870 0.005 0.000 1.347 235 L CA 0.315 55.157 54.840 0.003 0.000 1.246 235 L CB -0.906 41.154 42.059 0.001 0.000 1.496 235 L HN 0.252 nan 8.230 nan 0.000 0.413 236 G N 1.238 110.041 108.800 0.005 0.000 3.396 236 G HA2 -0.144 3.798 3.960 -0.031 0.000 0.682 236 G HA3 -0.144 3.798 3.960 -0.031 0.000 0.682 236 G C -2.329 172.573 174.900 0.003 0.000 0.924 236 G CA -1.414 43.687 45.100 0.002 0.000 0.770 236 G HN 0.274 nan 8.290 nan 0.000 0.484 237 P HA -0.001 nan 4.420 nan 0.000 0.255 237 P C 0.070 177.361 177.300 -0.014 0.000 1.132 237 P CA 1.126 64.221 63.100 -0.009 0.000 0.766 237 P CB 0.371 32.057 31.700 -0.024 0.000 0.715 238 E N 3.389 123.587 120.200 -0.003 0.000 2.185 238 E HA 0.173 4.505 4.350 -0.031 0.000 0.261 238 E C 0.236 176.832 176.600 -0.008 0.000 0.879 238 E CA -0.934 55.463 56.400 -0.006 0.000 0.756 238 E CB 0.843 30.549 29.700 0.010 0.000 1.152 238 E HN 0.095 nan 8.360 nan 0.000 0.416 239 K N 2.436 122.787 120.400 -0.080 0.000 3.018 239 K HA 0.055 4.357 4.320 -0.031 0.000 0.341 239 K C 0.409 177.038 176.600 0.049 0.000 1.018 239 K CA 0.308 56.458 56.287 -0.228 0.000 1.146 239 K CB -0.032 32.271 32.500 -0.329 0.000 1.160 239 K HN 0.654 nan 8.250 nan 0.000 0.471 240 Y N 0.662 120.945 120.300 -0.028 0.000 2.720 240 Y HA 0.059 4.588 4.550 -0.036 0.000 0.277 240 Y C 0.590 176.469 175.900 -0.034 0.000 1.144 240 Y CA -0.752 57.331 58.100 -0.029 0.000 1.221 240 Y CB 0.280 38.724 38.460 -0.026 0.000 1.163 240 Y HN 0.414 nan 8.280 nan 0.000 0.537 241 D N 0.298 120.745 120.400 0.077 0.000 2.183 241 D HA -0.108 4.514 4.640 -0.031 0.000 0.205 241 D C 1.771 178.078 176.300 0.013 0.000 0.962 241 D CA 0.766 54.787 54.000 0.035 0.000 0.849 241 D CB 0.056 40.861 40.800 0.009 0.000 0.978 241 D HN 0.068 nan 8.370 nan 0.000 0.488 242 K N 0.595 120.958 120.400 -0.061 0.000 2.152 242 K HA -0.056 4.245 4.320 -0.031 0.000 0.206 242 K C 1.602 178.187 176.600 -0.025 0.000 1.048 242 K CA 1.259 57.401 56.287 -0.242 0.000 0.933 242 K CB 0.035 32.313 32.500 -0.370 0.000 0.721 242 K HN 0.196 nan 8.250 nan 0.000 0.447 243 S N -0.949 114.780 115.700 0.050 0.000 2.575 243 S HA -0.034 4.417 4.470 -0.031 0.000 0.215 243 S C 2.001 176.676 174.600 0.124 0.000 0.966 243 S CA 0.239 58.496 58.200 0.096 0.000 0.911 243 S CB -0.582 62.652 63.200 0.057 0.000 0.780 243 S HN 0.518 nan 8.310 nan 0.000 0.514 244 C N -0.073 119.293 119.300 0.109 0.000 2.512 244 C HA 0.202 4.644 4.460 -0.031 0.000 0.276 244 C C 1.989 177.087 174.990 0.180 0.000 1.368 244 C CA 0.166 59.257 59.018 0.122 0.000 1.755 244 C CB -1.009 26.749 27.740 0.030 0.000 2.008 244 C HN 0.309 nan 8.230 nan 0.000 0.511 245 D N 1.407 121.910 120.400 0.172 0.000 2.133 245 D HA -0.184 4.438 4.640 -0.031 0.000 0.192 245 D C 1.973 178.333 176.300 0.099 0.000 1.001 245 D CA 1.754 55.849 54.000 0.159 0.000 0.844 245 D CB -0.364 40.609 40.800 0.288 0.000 0.944 245 D HN 0.402 nan 8.370 nan 0.000 0.447 246 M N -0.573 119.104 119.600 0.129 0.000 2.229 246 M HA -0.056 4.406 4.480 -0.031 0.000 0.264 246 M C 1.730 178.086 176.300 0.094 0.000 1.063 246 M CA 0.901 56.233 55.300 0.053 0.000 1.114 246 M CB -0.480 32.178 32.600 0.097 0.000 1.387 246 M HN 0.287 nan 8.290 nan 0.000 0.420 247 W N -0.111 121.181 121.300 -0.015 0.000 2.381 247 W HA -0.144 4.506 4.660 -0.016 0.000 0.301 247 W C 1.884 178.397 176.519 -0.010 0.000 1.205 247 W CA 1.648 58.987 57.345 -0.009 0.000 1.285 247 W CB -0.737 28.718 29.460 -0.008 0.000 1.133 247 W HN 0.162 nan 8.180 nan 0.000 0.521 248 S N 1.639 117.476 115.700 0.227 0.000 2.359 248 S HA -0.247 4.204 4.470 -0.031 0.000 0.223 248 S C 1.804 176.388 174.600 -0.028 0.000 1.039 248 S CA 1.829 60.092 58.200 0.105 0.000 1.042 248 S CB -0.912 62.344 63.200 0.093 0.000 0.915 248 S HN 0.129 nan 8.310 nan 0.000 0.439 249 L N 1.629 122.804 121.223 -0.079 0.000 2.010 249 L HA -0.177 4.145 4.340 -0.031 0.000 0.219 249 L C 2.621 179.435 176.870 -0.094 0.000 1.077 249 L CA 2.176 56.932 54.840 -0.141 0.000 0.773 249 L CB -1.639 40.214 42.059 -0.343 0.000 0.892 249 L HN 0.419 nan 8.230 nan 0.000 0.436 250 G N -1.342 107.367 108.800 -0.153 0.000 2.513 250 G HA2 -0.251 3.690 3.960 -0.031 0.000 0.219 250 G HA3 -0.251 3.690 3.960 -0.031 0.000 0.219 250 G C 1.594 176.396 174.900 -0.162 0.000 1.160 250 G CA 1.419 46.408 45.100 -0.185 0.000 0.767 250 G HN 0.329 nan 8.290 nan 0.000 0.571 251 V N 1.491 121.257 119.914 -0.247 0.000 2.261 251 V HA -0.171 3.931 4.120 -0.031 0.000 0.246 251 V C 2.813 178.960 176.094 0.087 0.000 1.047 251 V CA 1.649 63.865 62.300 -0.139 0.000 1.015 251 V CB -0.585 31.188 31.823 -0.084 0.000 0.642 251 V HN 0.394 nan 8.190 nan 0.000 0.446 252 I N -0.641 119.998 120.570 0.114 0.000 2.118 252 I HA -0.383 3.769 4.170 -0.031 0.000 0.241 252 I C 2.598 178.888 176.117 0.288 0.000 1.070 252 I CA 2.340 63.785 61.300 0.241 0.000 1.327 252 I CB -0.451 37.646 38.000 0.161 0.000 1.034 252 I HN 0.346 nan 8.210 nan 0.000 0.405 253 M N -0.041 119.685 119.600 0.210 0.000 2.065 253 M HA -0.320 4.142 4.480 -0.031 0.000 0.259 253 M C 2.572 179.021 176.300 0.249 0.000 1.071 253 M CA 2.177 57.617 55.300 0.234 0.000 1.109 253 M CB -0.518 32.198 32.600 0.193 0.000 1.313 253 M HN 0.154 nan 8.290 nan 0.000 0.408 254 Y N 1.189 121.567 120.300 0.130 0.000 2.029 254 Y HA -0.353 4.182 4.550 -0.025 0.000 0.269 254 Y C 1.948 177.940 175.900 0.154 0.000 1.201 254 Y CA 2.708 60.931 58.100 0.206 0.000 1.115 254 Y CB -0.653 37.824 38.460 0.029 0.000 0.945 254 Y HN 0.306 nan 8.280 nan 0.000 0.497 255 I N -0.485 120.296 120.570 0.352 0.000 2.264 255 I HA -0.342 3.810 4.170 -0.031 0.000 0.248 255 I C 2.413 178.571 176.117 0.068 0.000 1.111 255 I CA 1.284 62.660 61.300 0.126 0.000 1.382 255 I CB -0.541 37.454 38.000 -0.009 0.000 1.060 255 I HN 0.280 nan 8.210 nan 0.000 0.418 256 L N 0.219 121.605 121.223 0.271 0.000 2.201 256 L HA -0.145 4.176 4.340 -0.031 0.000 0.212 256 L C 2.214 179.202 176.870 0.195 0.000 1.105 256 L CA 1.065 56.111 54.840 0.344 0.000 0.775 256 L CB -0.140 42.159 42.059 0.400 0.000 0.913 256 L HN 0.316 nan 8.230 nan 0.000 0.440 257 L N -1.083 120.109 121.223 -0.051 0.000 2.591 257 L HA -0.060 4.262 4.340 -0.031 0.000 0.228 257 L C 1.575 178.043 176.870 -0.670 0.000 1.133 257 L CA 0.190 54.816 54.840 -0.357 0.000 0.880 257 L CB -0.012 41.680 42.059 -0.613 0.000 1.033 257 L HN 0.566 nan 8.230 nan 0.000 0.450 258 C N -5.534 113.443 119.300 -0.539 0.000 4.635 258 C HA 0.528 4.970 4.460 -0.031 0.000 0.400 258 C C 1.426 176.185 174.990 -0.386 0.000 1.766 258 C CA 0.034 58.689 59.018 -0.605 0.000 1.939 258 C CB 0.419 27.565 27.740 -0.990 0.000 3.009 258 C HN 0.505 nan 8.230 nan 0.000 0.621 259 G N 0.814 109.416 108.800 -0.330 0.000 2.194 259 G HA2 -0.081 3.861 3.960 -0.031 0.000 0.236 259 G HA3 -0.081 3.861 3.960 -0.031 0.000 0.236 259 G C -0.310 174.491 174.900 -0.164 0.000 0.987 259 G CA 0.787 45.740 45.100 -0.245 0.000 0.635 259 G HN 1.690 nan 8.290 nan 0.000 0.520 260 Y N -1.436 118.851 120.300 -0.022 0.000 2.581 260 Y HA 0.840 5.370 4.550 -0.033 0.000 0.345 260 Y C -2.916 173.172 175.900 0.313 0.000 1.036 260 Y CA -3.200 54.950 58.100 0.083 0.000 1.042 260 Y CB 0.573 39.084 38.460 0.084 0.000 1.289 260 Y HN 0.056 nan 8.280 nan 0.000 0.471 261 P HA 0.284 nan 4.420 nan 0.000 0.276 261 P C -2.312 175.100 177.300 0.186 0.000 1.252 261 P CA -1.738 61.564 63.100 0.336 0.000 0.802 261 P CB 0.881 32.782 31.700 0.334 0.000 1.035 262 P HA 0.150 nan 4.420 nan 0.000 0.239 262 P C -0.536 176.238 177.300 -0.877 0.000 1.188 262 P CA 0.754 63.164 63.100 -1.151 0.000 0.794 262 P CB 0.244 30.657 31.700 -2.145 0.000 0.937 263 F N 0.456 120.349 119.950 -0.095 0.000 2.518 263 F HA 0.514 5.030 4.527 -0.018 0.000 0.323 263 F C 0.091 175.942 175.800 0.084 0.000 1.129 263 F CA -1.084 56.874 58.000 -0.069 0.000 0.920 263 F CB 1.592 40.582 39.000 -0.015 0.000 1.160 263 F HN -0.125 nan 8.300 nan 0.000 0.440 264 Y N -0.403 120.012 120.300 0.192 0.000 2.871 264 Y HA 0.636 5.170 4.550 -0.026 0.000 0.331 264 Y C -0.445 175.510 175.900 0.091 0.000 1.378 264 Y CA -1.576 56.600 58.100 0.128 0.000 1.079 264 Y CB 0.292 38.822 38.460 0.116 0.000 1.441 264 Y HN 0.512 nan 8.280 nan 0.000 0.446 272 S N -0.734 114.979 115.700 0.021 0.000 2.490 272 S HA 0.201 4.653 4.470 -0.031 0.000 0.280 272 S C -1.381 173.220 174.600 0.002 0.000 1.048 272 S CA 1.329 59.541 58.200 0.020 0.000 1.263 272 S CB 0.274 63.491 63.200 0.028 0.000 1.053 272 S HN 0.545 nan 8.310 nan 0.000 0.538 273 P HA 0.215 nan 4.420 nan 0.000 0.233 273 P C 1.398 178.690 177.300 -0.015 0.000 1.167 273 P CA 1.004 64.097 63.100 -0.012 0.000 0.770 273 P CB -0.509 31.185 31.700 -0.010 0.000 0.837 274 G N 0.882 109.678 108.800 -0.007 0.000 2.426 274 G HA2 -0.133 3.808 3.960 -0.031 0.000 0.214 274 G HA3 -0.133 3.808 3.960 -0.031 0.000 0.214 274 G C 1.552 176.449 174.900 -0.005 0.000 1.156 274 G CA 0.766 45.862 45.100 -0.007 0.000 0.802 274 G HN 0.326 nan 8.290 nan 0.000 0.534 275 M N 0.465 120.067 119.600 0.004 0.000 2.086 275 M HA 0.151 4.613 4.480 -0.031 0.000 0.261 275 M C 2.324 178.605 176.300 -0.032 0.000 1.067 275 M CA 2.128 57.437 55.300 0.016 0.000 1.116 275 M CB -0.233 32.398 32.600 0.051 0.000 1.348 275 M HN 0.083 nan 8.290 nan 0.000 0.407 276 K N -0.272 120.100 120.400 -0.046 0.000 2.103 276 K HA -0.138 4.163 4.320 -0.031 0.000 0.207 276 K C 1.586 178.127 176.600 -0.098 0.000 1.048 276 K CA 2.125 58.362 56.287 -0.084 0.000 0.930 276 K CB -0.159 32.304 32.500 -0.062 0.000 0.716 276 K HN 0.570 nan 8.250 nan 0.000 0.444 277 T N 0.153 114.670 114.554 -0.061 0.000 2.732 277 T HA -0.060 4.271 4.350 -0.031 0.000 0.261 277 T C 1.792 176.463 174.700 -0.047 0.000 1.040 277 T CA 0.915 62.984 62.100 -0.052 0.000 1.145 277 T CB -0.209 68.642 68.868 -0.029 0.000 0.866 277 T HN 0.268 nan 8.240 nan 0.000 0.427 278 R N 0.416 120.909 120.500 -0.011 0.000 2.113 278 R HA -0.095 4.227 4.340 -0.031 0.000 0.244 278 R C 2.432 178.718 176.300 -0.024 0.000 1.142 278 R CA 1.542 57.683 56.100 0.070 0.000 0.953 278 R CB -0.751 29.649 30.300 0.167 0.000 0.860 278 R HN 0.377 nan 8.270 nan 0.000 0.438 279 I N 0.035 120.372 120.570 -0.388 0.000 2.068 279 I HA -0.384 3.767 4.170 -0.031 0.000 0.238 279 I C 2.712 178.603 176.117 -0.377 0.000 1.046 279 I CA 1.641 62.426 61.300 -0.859 0.000 1.306 279 I CB -0.257 37.323 38.000 -0.700 0.000 1.023 279 I HN 0.141 nan 8.210 nan 0.000 0.399 280 R N 0.285 120.639 120.500 -0.244 0.000 2.096 280 R HA -0.201 4.121 4.340 -0.031 0.000 0.240 280 R C 2.264 178.527 176.300 -0.061 0.000 1.139 280 R CA 1.708 57.716 56.100 -0.154 0.000 0.952 280 R CB -0.090 30.136 30.300 -0.124 0.000 0.854 280 R HN 0.249 nan 8.270 nan 0.000 0.436 281 M N -0.956 118.634 119.600 -0.018 0.000 2.394 281 M HA 0.104 4.566 4.480 -0.031 0.000 0.264 281 M C 1.084 177.448 176.300 0.107 0.000 1.073 281 M CA 1.368 56.687 55.300 0.032 0.000 1.111 281 M CB -0.342 32.275 32.600 0.029 0.000 1.401 281 M HN 0.509 nan 8.290 nan 0.000 0.448 282 G N 1.949 110.873 108.800 0.207 0.000 2.212 282 G HA2 -0.241 3.701 3.960 -0.031 0.000 0.255 282 G HA3 -0.241 3.701 3.960 -0.031 0.000 0.255 282 G C -0.104 175.027 174.900 0.385 0.000 1.062 282 G CA -0.061 45.291 45.100 0.419 0.000 0.815 282 G HN 0.536 nan 8.290 nan 0.000 0.497 283 Q N -0.261 119.769 119.800 0.383 0.000 2.406 283 Q HA 0.570 4.892 4.340 -0.031 0.000 0.242 283 Q C -0.207 175.876 176.000 0.138 0.000 1.036 283 Q CA -0.660 55.233 55.803 0.152 0.000 0.904 283 Q CB 0.439 29.234 28.738 0.095 0.000 1.244 283 Q HN 0.753 nan 8.270 nan 0.000 0.478 284 Y N -0.139 120.017 120.300 -0.239 0.000 2.581 284 Y HA 0.571 5.097 4.550 -0.040 0.000 0.337 284 Y C -1.167 174.431 175.900 -0.502 0.000 1.108 284 Y CA -1.475 56.325 58.100 -0.500 0.000 1.033 284 Y CB 1.042 38.934 38.460 -0.947 0.000 1.318 284 Y HN 0.365 nan 8.280 nan 0.000 0.459 285 E N 1.461 121.381 120.200 -0.467 0.000 2.339 285 E HA 0.591 4.923 4.350 -0.031 0.000 0.262 285 E C -1.835 174.411 176.600 -0.590 0.000 0.934 285 E CA -1.135 54.927 56.400 -0.565 0.000 0.802 285 E CB 2.119 31.642 29.700 -0.295 0.000 1.275 285 E HN 0.498 nan 8.360 nan 0.000 0.427 286 F N 0.983 120.735 119.950 -0.331 0.000 2.359 286 F HA 0.327 4.837 4.527 -0.027 0.000 0.355 286 F C -2.015 173.672 175.800 -0.188 0.000 1.132 286 F CA -2.174 55.406 58.000 -0.700 0.000 1.246 286 F CB 0.315 38.764 39.000 -0.918 0.000 1.569 286 F HN 0.111 nan 8.300 nan 0.000 0.561 287 P HA 0.025 nan 4.420 nan 0.000 0.269 287 P C -0.536 176.971 177.300 0.344 0.000 1.209 287 P CA -0.102 63.145 63.100 0.245 0.000 0.776 287 P CB 0.604 32.465 31.700 0.269 0.000 0.876 288 N N 3.408 122.231 118.700 0.205 0.000 2.493 288 N HA 0.192 4.914 4.740 -0.031 0.000 0.275 288 N C -1.275 174.292 175.510 0.096 0.000 1.186 288 N CA -1.743 51.397 53.050 0.149 0.000 0.978 288 N CB -0.636 37.916 38.487 0.107 0.000 1.184 288 N HN 0.310 nan 8.380 nan 0.000 0.487 289 P HA -0.104 nan 4.420 nan 0.000 0.216 289 P C 0.377 177.584 177.300 -0.155 0.000 1.150 289 P CA 1.327 64.414 63.100 -0.022 0.000 0.837 289 P CB 0.446 32.127 31.700 -0.032 0.000 0.786 290 E N -0.999 119.058 120.200 -0.238 0.000 2.150 290 E HA -0.135 4.196 4.350 -0.031 0.000 0.193 290 E C 1.498 177.933 176.600 -0.276 0.000 0.985 290 E CA 1.112 57.199 56.400 -0.522 0.000 0.814 290 E CB -0.709 28.765 29.700 -0.376 0.000 0.752 290 E HN 0.439 nan 8.360 nan 0.000 0.466 291 W N 0.235 121.500 121.300 -0.059 0.000 3.278 291 W HA 0.222 4.867 4.660 -0.025 0.000 0.308 291 W C 1.848 178.349 176.519 -0.031 0.000 1.253 291 W CA 0.081 57.402 57.345 -0.041 0.000 1.759 291 W CB 0.099 29.570 29.460 0.018 0.000 1.093 291 W HN -0.083 nan 8.180 nan 0.000 0.648 292 S N 0.716 116.514 115.700 0.164 0.000 2.381 292 S HA -0.250 4.202 4.470 -0.031 0.000 0.230 292 S C 1.342 175.989 174.600 0.078 0.000 1.052 292 S CA 1.726 59.991 58.200 0.108 0.000 1.068 292 S CB -0.269 62.982 63.200 0.085 0.000 0.918 292 S HN 0.233 nan 8.310 nan 0.000 0.448 293 E N 0.515 120.751 120.200 0.060 0.000 2.463 293 E HA 0.251 4.582 4.350 -0.031 0.000 0.193 293 E C -0.440 176.169 176.600 0.016 0.000 1.041 293 E CA -0.041 56.380 56.400 0.036 0.000 0.879 293 E CB 0.298 30.021 29.700 0.038 0.000 0.997 293 E HN 0.234 nan 8.360 nan 0.000 0.478 294 V N 2.496 122.421 119.914 0.018 0.000 2.432 294 V HA 0.082 4.184 4.120 -0.031 0.000 0.275 294 V C 0.432 176.521 176.094 -0.009 0.000 1.043 294 V CA -0.657 61.639 62.300 -0.007 0.000 0.925 294 V CB 1.382 33.199 31.823 -0.010 0.000 0.985 294 V HN 0.142 nan 8.190 nan 0.000 0.466 295 S N 3.999 119.688 115.700 -0.019 0.000 2.558 295 S HA 0.005 4.457 4.470 -0.031 0.000 0.287 295 S C 1.083 175.630 174.600 -0.087 0.000 1.321 295 S CA -0.395 57.786 58.200 -0.031 0.000 1.048 295 S CB 0.584 63.781 63.200 -0.004 0.000 0.844 295 S HN 0.756 nan 8.310 nan 0.000 0.512 296 E N 1.192 121.349 120.200 -0.071 0.000 2.267 296 E HA -0.205 4.126 4.350 -0.031 0.000 0.197 296 E C 1.860 178.401 176.600 -0.099 0.000 0.998 296 E CA 1.320 57.664 56.400 -0.093 0.000 0.830 296 E CB -0.174 29.498 29.700 -0.047 0.000 0.751 296 E HN 0.940 nan 8.360 nan 0.000 0.491 297 E N 0.158 120.316 120.200 -0.070 0.000 2.015 297 E HA -0.142 4.190 4.350 -0.031 0.000 0.191 297 E C 2.125 178.621 176.600 -0.174 0.000 0.991 297 E CA 1.525 57.904 56.400 -0.035 0.000 0.802 297 E CB 0.022 29.746 29.700 0.040 0.000 0.759 297 E HN -0.002 nan 8.360 nan 0.000 0.447 298 V N 1.308 121.006 119.914 -0.360 0.000 2.282 298 V HA -0.317 3.785 4.120 -0.031 0.000 0.249 298 V C 2.379 178.211 176.094 -0.436 0.000 1.057 298 V CA 2.405 64.312 62.300 -0.657 0.000 1.032 298 V CB -0.566 30.865 31.823 -0.654 0.000 0.645 298 V HN 0.268 nan 8.190 nan 0.000 0.447 299 K N -1.194 118.974 120.400 -0.387 0.000 2.057 299 K HA -0.129 4.173 4.320 -0.031 0.000 0.206 299 K C 2.235 178.707 176.600 -0.214 0.000 1.050 299 K CA 1.337 57.294 56.287 -0.550 0.000 0.935 299 K CB -0.273 31.766 32.500 -0.769 0.000 0.715 299 K HN 0.223 nan 8.250 nan 0.000 0.439 300 M N 0.665 120.190 119.600 -0.125 0.000 2.106 300 M HA -0.153 4.309 4.480 -0.031 0.000 0.259 300 M C 2.166 178.470 176.300 0.007 0.000 1.068 300 M CA 1.361 56.654 55.300 -0.011 0.000 1.100 300 M CB -0.792 31.822 32.600 0.022 0.000 1.351 300 M HN 0.149 nan 8.290 nan 0.000 0.404 301 L N -0.004 121.168 121.223 -0.085 0.000 2.072 301 L HA -0.044 4.277 4.340 -0.031 0.000 0.205 301 L C 2.134 178.972 176.870 -0.054 0.000 1.079 301 L CA 1.513 56.275 54.840 -0.129 0.000 0.752 301 L CB -0.667 41.118 42.059 -0.457 0.000 0.906 301 L HN 0.219 nan 8.230 nan 0.000 0.436 302 I N -0.654 119.882 120.570 -0.057 0.000 2.226 302 I HA -0.311 3.840 4.170 -0.031 0.000 0.245 302 I C 2.610 178.795 176.117 0.113 0.000 1.100 302 I CA 1.152 62.482 61.300 0.050 0.000 1.374 302 I CB -0.346 37.750 38.000 0.161 0.000 1.057 302 I HN 0.248 nan 8.210 nan 0.000 0.413 303 R N 0.433 121.060 120.500 0.212 0.000 2.139 303 R HA -0.225 4.097 4.340 -0.031 0.000 0.243 303 R C 1.920 178.312 176.300 0.154 0.000 1.145 303 R CA 1.889 58.140 56.100 0.251 0.000 0.976 303 R CB -0.473 29.961 30.300 0.223 0.000 0.866 303 R HN 0.391 nan 8.270 nan 0.000 0.449 304 N N -0.129 118.636 118.700 0.109 0.000 2.409 304 N HA -0.001 4.721 4.740 -0.031 0.000 0.179 304 N C 1.444 177.011 175.510 0.096 0.000 1.032 304 N CA 0.450 53.562 53.050 0.104 0.000 0.898 304 N CB 0.235 38.786 38.487 0.107 0.000 0.971 304 N HN 0.113 nan 8.380 nan 0.000 0.441 305 L N -0.284 120.972 121.223 0.055 0.000 2.202 305 L HA 0.085 4.407 4.340 -0.031 0.000 0.205 305 L C 1.157 178.016 176.870 -0.018 0.000 1.083 305 L CA 0.525 55.379 54.840 0.023 0.000 0.790 305 L CB -0.037 42.006 42.059 -0.027 0.000 0.942 305 L HN 0.190 nan 8.230 nan 0.000 0.452 306 L N -0.233 120.913 121.223 -0.128 0.000 2.627 306 L HA 0.047 4.369 4.340 -0.031 0.000 0.232 306 L C 0.397 177.411 176.870 0.241 0.000 1.150 306 L CA -0.199 54.455 54.840 -0.309 0.000 0.917 306 L CB -0.457 41.219 42.059 -0.639 0.000 1.104 306 L HN 0.048 nan 8.230 nan 0.000 0.445 307 K N 1.311 121.865 120.400 0.257 0.000 2.504 307 K HA -0.058 4.244 4.320 -0.031 0.000 0.278 307 K C 1.560 178.371 176.600 0.352 0.000 1.025 307 K CA 0.411 56.856 56.287 0.264 0.000 1.093 307 K CB 0.836 33.435 32.500 0.166 0.000 0.873 307 K HN 0.220 nan 8.250 nan 0.000 0.483 308 T N -1.079 113.643 114.554 0.280 0.000 2.951 308 T HA -0.094 4.237 4.350 -0.031 0.000 0.268 308 T C 0.696 175.408 174.700 0.021 0.000 1.073 308 T CA 0.355 62.544 62.100 0.148 0.000 1.134 308 T CB 0.134 69.049 68.868 0.079 0.000 0.884 308 T HN 0.344 nan 8.240 nan 0.000 0.479 309 E N 3.192 123.414 120.200 0.038 0.000 2.129 309 E HA 0.242 4.574 4.350 -0.031 0.000 0.283 309 E C -1.599 174.975 176.600 -0.042 0.000 1.080 309 E CA -3.194 53.193 56.400 -0.022 0.000 0.867 309 E CB 1.230 30.922 29.700 -0.012 0.000 1.056 309 E HN 0.098 nan 8.360 nan 0.000 0.404 310 P HA -0.217 nan 4.420 nan 0.000 0.218 310 P C 0.810 178.005 177.300 -0.176 0.000 1.154 310 P CA 1.865 64.881 63.100 -0.140 0.000 0.872 310 P CB -0.149 31.406 31.700 -0.241 0.000 0.790 311 T N -4.085 110.311 114.554 -0.262 0.000 3.160 311 T HA -0.014 4.317 4.350 -0.031 0.000 0.257 311 T C 1.698 176.354 174.700 -0.074 0.000 1.147 311 T CA 0.589 62.563 62.100 -0.209 0.000 1.064 311 T CB -0.573 68.147 68.868 -0.247 0.000 0.949 311 T HN 0.220 nan 8.240 nan 0.000 0.526 312 Q N 0.165 119.945 119.800 -0.033 0.000 2.408 312 Q HA 0.197 4.518 4.340 -0.031 0.000 0.205 312 Q C 0.573 176.603 176.000 0.049 0.000 0.919 312 Q CA -0.129 55.684 55.803 0.016 0.000 0.932 312 Q CB 0.394 29.152 28.738 0.032 0.000 1.058 312 Q HN 0.537 nan 8.270 nan 0.000 0.517 313 R N 1.093 121.627 120.500 0.057 0.000 2.641 313 R HA 0.167 4.489 4.340 -0.031 0.000 0.269 313 R C 0.433 176.787 176.300 0.089 0.000 1.074 313 R CA -0.142 56.012 56.100 0.090 0.000 1.133 313 R CB 0.339 30.706 30.300 0.113 0.000 1.029 313 R HN 0.160 nan 8.270 nan 0.000 0.488 314 M N -0.331 119.337 119.600 0.113 0.000 2.198 314 M HA 0.198 4.659 4.480 -0.031 0.000 0.315 314 M C 0.326 176.704 176.300 0.129 0.000 1.134 314 M CA -0.334 55.043 55.300 0.128 0.000 1.171 314 M CB 0.599 33.303 32.600 0.172 0.000 1.413 314 M HN 0.616 nan 8.290 nan 0.000 0.467 315 T N -0.643 113.992 114.554 0.134 0.000 2.849 315 T HA 0.297 4.629 4.350 -0.031 0.000 0.284 315 T C 1.379 176.184 174.700 0.176 0.000 1.004 315 T CA -0.938 61.250 62.100 0.147 0.000 1.021 315 T CB 0.572 69.519 68.868 0.131 0.000 1.013 315 T HN 0.644 nan 8.240 nan 0.000 0.527 316 I N 0.089 120.764 120.570 0.175 0.000 2.335 316 I HA -0.105 4.047 4.170 -0.031 0.000 0.251 316 I C 2.146 178.388 176.117 0.209 0.000 1.129 316 I CA 1.242 62.637 61.300 0.157 0.000 1.402 316 I CB -3.000 35.030 38.000 0.049 0.000 1.069 316 I HN 0.688 nan 8.210 nan 0.000 0.424 317 T N 1.313 115.966 114.554 0.165 0.000 2.674 317 T HA -0.176 4.155 4.350 -0.031 0.000 0.265 317 T C 1.805 176.600 174.700 0.158 0.000 1.039 317 T CA 1.809 63.995 62.100 0.142 0.000 1.150 317 T CB -0.335 68.598 68.868 0.108 0.000 0.864 317 T HN 0.446 nan 8.240 nan 0.000 0.427 318 E N 0.062 120.360 120.200 0.164 0.000 2.130 318 E HA -0.149 4.183 4.350 -0.031 0.000 0.196 318 E C 1.765 178.509 176.600 0.240 0.000 0.998 318 E CA 1.063 57.567 56.400 0.173 0.000 0.806 318 E CB -0.262 29.533 29.700 0.158 0.000 0.738 318 E HN 0.491 nan 8.360 nan 0.000 0.459 319 F N 0.656 120.671 119.950 0.108 0.000 2.084 319 F HA -0.176 4.333 4.527 -0.030 0.000 0.296 319 F C 2.100 177.975 175.800 0.125 0.000 1.111 319 F CA 1.182 59.248 58.000 0.110 0.000 1.224 319 F CB -0.028 39.013 39.000 0.069 0.000 0.991 319 F HN -0.051 nan 8.300 nan 0.000 0.471 320 M N 0.338 120.069 119.600 0.218 0.000 2.346 320 M HA -0.198 4.264 4.480 -0.031 0.000 0.263 320 M C 1.110 177.426 176.300 0.026 0.000 1.064 320 M CA 1.422 56.773 55.300 0.086 0.000 1.083 320 M CB -1.580 31.110 32.600 0.150 0.000 1.399 320 M HN 0.267 nan 8.290 nan 0.000 0.435 321 N N -1.278 117.460 118.700 0.062 0.000 2.299 321 N HA -0.028 4.693 4.740 -0.031 0.000 0.187 321 N C 0.489 176.027 175.510 0.046 0.000 1.099 321 N CA 0.009 53.086 53.050 0.045 0.000 0.867 321 N CB -0.020 38.497 38.487 0.050 0.000 0.974 321 N HN 0.272 nan 8.380 nan 0.000 0.477 322 H N 1.697 120.739 119.070 -0.046 0.000 3.034 322 H HA 0.008 4.546 4.556 -0.031 0.000 0.324 322 H C -1.601 173.714 175.328 -0.022 0.000 1.015 322 H CA -0.923 55.105 56.048 -0.034 0.000 1.429 322 H CB 1.185 30.907 29.762 -0.067 0.000 1.429 322 H HN 0.031 nan 8.280 nan 0.000 0.585 323 P HA -0.173 nan 4.420 nan 0.000 0.216 323 P C 1.383 178.778 177.300 0.159 0.000 1.150 323 P CA 1.248 64.361 63.100 0.021 0.000 0.843 323 P CB -0.173 31.498 31.700 -0.048 0.000 0.787 324 W N -0.172 121.250 121.300 0.204 0.000 2.350 324 W HA -0.167 4.477 4.660 -0.028 0.000 0.289 324 W C 1.749 178.232 176.519 -0.061 0.000 1.215 324 W CA 1.393 58.779 57.345 0.067 0.000 1.236 324 W CB -0.399 29.079 29.460 0.031 0.000 1.130 324 W HN -0.155 nan 8.180 nan 0.000 0.541 325 I N -0.765 119.806 120.570 0.003 0.000 2.731 325 I HA -0.098 4.054 4.170 -0.031 0.000 0.260 325 I C 2.151 178.168 176.117 -0.166 0.000 1.138 325 I CA 1.073 62.249 61.300 -0.208 0.000 1.461 325 I CB -1.107 36.684 38.000 -0.348 0.000 1.128 325 I HN 0.058 nan 8.210 nan 0.000 0.438 326 M N 0.272 119.820 119.600 -0.086 0.000 2.476 326 M HA -0.012 4.449 4.480 -0.031 0.000 0.262 326 M C 0.030 176.282 176.300 -0.079 0.000 1.111 326 M CA 0.943 56.201 55.300 -0.069 0.000 1.127 326 M CB 0.346 32.925 32.600 -0.034 0.000 1.376 326 M HN 0.111 nan 8.290 nan 0.000 0.465 327 Q N -0.579 119.164 119.800 -0.096 0.000 2.907 327 Q HA 0.291 4.612 4.340 -0.031 0.000 0.262 327 Q C 0.273 176.178 176.000 -0.158 0.000 0.997 327 Q CA -0.214 55.529 55.803 -0.099 0.000 0.797 327 Q CB 0.884 29.584 28.738 -0.064 0.000 1.228 327 Q HN 0.082 nan 8.270 nan 0.000 0.466 328 S N 1.315 116.897 115.700 -0.198 0.000 2.365 328 S HA -0.214 4.237 4.470 -0.031 0.000 0.225 328 S C 2.049 176.529 174.600 -0.198 0.000 1.039 328 S CA 2.480 60.526 58.200 -0.257 0.000 1.033 328 S CB -0.222 62.844 63.200 -0.223 0.000 0.887 328 S HN 0.844 nan 8.310 nan 0.000 0.447 329 T N 1.204 115.676 114.554 -0.136 0.000 2.977 329 T HA -0.057 4.274 4.350 -0.031 0.000 0.271 329 T C 1.292 175.939 174.700 -0.089 0.000 1.105 329 T CA 1.100 63.138 62.100 -0.104 0.000 1.116 329 T CB -0.319 68.503 68.868 -0.077 0.000 0.878 329 T HN 0.609 nan 8.240 nan 0.000 0.509 330 K N 1.204 121.552 120.400 -0.087 0.000 2.372 330 K HA 0.317 4.619 4.320 -0.031 0.000 0.200 330 K C 0.548 177.115 176.600 -0.055 0.000 1.022 330 K CA -0.311 55.941 56.287 -0.059 0.000 1.125 330 K CB 0.172 32.649 32.500 -0.038 0.000 0.855 330 K HN 0.370 nan 8.250 nan 0.000 0.524 331 V N 3.139 122.991 119.914 -0.104 0.000 2.546 331 V HA 0.282 4.384 4.120 -0.031 0.000 0.284 331 V C -2.351 173.699 176.094 -0.074 0.000 1.050 331 V CA -2.045 60.204 62.300 -0.085 0.000 0.981 331 V CB 0.945 32.632 31.823 -0.227 0.000 0.990 331 V HN 0.124 nan 8.190 nan 0.000 0.474 332 P HA 0.073 nan 4.420 nan 0.000 0.272 332 P C -0.713 176.553 177.300 -0.057 0.000 1.248 332 P CA 0.085 63.167 63.100 -0.029 0.000 0.799 332 P CB 0.467 32.167 31.700 0.001 0.000 0.997 333 Q N -0.510 119.255 119.800 -0.058 0.000 2.302 333 Q HA 0.104 4.426 4.340 -0.031 0.000 0.332 333 Q C 0.283 176.243 176.000 -0.068 0.000 0.913 333 Q CA -0.044 55.711 55.803 -0.080 0.000 1.098 333 Q CB -0.234 28.458 28.738 -0.076 0.000 1.236 333 Q HN 0.507 nan 8.270 nan 0.000 0.436 334 T N -0.313 114.210 114.554 -0.051 0.000 2.853 334 T HA 0.249 4.580 4.350 -0.031 0.000 0.298 334 T C -2.493 172.174 174.700 -0.054 0.000 0.978 334 T CA -1.219 60.858 62.100 -0.039 0.000 1.152 334 T CB 0.664 69.522 68.868 -0.016 0.000 0.914 334 T HN -0.045 nan 8.240 nan 0.000 0.539 335 P HA 0.308 nan 4.420 nan 0.000 0.271 335 P C -0.528 176.749 177.300 -0.038 0.000 1.216 335 P CA -0.356 62.711 63.100 -0.055 0.000 0.776 335 P CB 0.498 32.156 31.700 -0.070 0.000 0.881 336 L N 2.702 123.927 121.223 0.003 0.000 2.322 336 L HA 0.386 4.708 4.340 -0.031 0.000 0.269 336 L C 1.597 178.493 176.870 0.043 0.000 1.012 336 L CA -0.792 54.086 54.840 0.064 0.000 0.815 336 L CB 1.170 43.301 42.059 0.121 0.000 1.295 336 L HN 0.538 nan 8.230 nan 0.000 0.438 337 H N -0.328 118.710 119.070 -0.053 0.000 2.548 337 H HA -0.024 4.514 4.556 -0.030 0.000 0.265 337 H C 1.220 176.508 175.328 -0.066 0.000 0.969 337 H CA 0.586 56.608 56.048 -0.044 0.000 1.155 337 H CB 0.389 30.130 29.762 -0.036 0.000 1.394 337 H HN 0.768 nan 8.280 nan 0.000 0.570 338 T N 0.671 115.249 114.554 0.039 0.000 2.602 338 T HA -0.321 4.011 4.350 -0.031 0.000 0.264 338 T C 2.285 176.885 174.700 -0.167 0.000 1.085 338 T CA 2.230 64.271 62.100 -0.099 0.000 1.164 338 T CB -0.450 68.342 68.868 -0.127 0.000 0.860 338 T HN 0.368 nan 8.240 nan 0.000 0.442 339 S N 0.785 116.393 115.700 -0.154 0.000 2.335 339 S HA -0.137 4.315 4.470 -0.031 0.000 0.216 339 S C 2.217 176.751 174.600 -0.109 0.000 1.032 339 S CA 1.073 59.175 58.200 -0.163 0.000 1.000 339 S CB -0.394 62.741 63.200 -0.108 0.000 0.928 339 S HN 0.270 nan 8.310 nan 0.000 0.434 340 R N 0.612 121.075 120.500 -0.063 0.000 2.190 340 R HA -0.142 4.180 4.340 -0.031 0.000 0.255 340 R C 2.137 178.413 176.300 -0.040 0.000 1.143 340 R CA 2.137 58.213 56.100 -0.040 0.000 0.965 340 R CB -1.405 28.883 30.300 -0.020 0.000 0.889 340 R HN 0.481 nan 8.270 nan 0.000 0.448 341 V N 0.634 120.527 119.914 -0.036 0.000 2.446 341 V HA -0.154 3.947 4.120 -0.031 0.000 0.244 341 V C 2.507 178.519 176.094 -0.136 0.000 1.039 341 V CA 1.162 63.440 62.300 -0.036 0.000 1.045 341 V CB -0.327 31.521 31.823 0.041 0.000 0.681 341 V HN 0.207 nan 8.190 nan 0.000 0.459 342 L N -0.209 120.877 121.223 -0.227 0.000 2.012 342 L HA -0.228 4.093 4.340 -0.031 0.000 0.210 342 L C 2.584 179.296 176.870 -0.264 0.000 1.073 342 L CA 1.863 56.477 54.840 -0.377 0.000 0.748 342 L CB -0.672 41.118 42.059 -0.448 0.000 0.891 342 L HN 0.271 nan 8.230 nan 0.000 0.431 343 K N 0.084 120.382 120.400 -0.169 0.000 2.015 343 K HA -0.274 4.027 4.320 -0.031 0.000 0.216 343 K C 2.053 178.602 176.600 -0.085 0.000 1.052 343 K CA 2.027 58.250 56.287 -0.107 0.000 0.937 343 K CB -0.298 32.156 32.500 -0.075 0.000 0.719 343 K HN 0.248 nan 8.250 nan 0.000 0.446 344 E N 0.704 120.859 120.200 -0.074 0.000 2.114 344 E HA -0.202 4.129 4.350 -0.031 0.000 0.199 344 E C 0.681 177.247 176.600 -0.057 0.000 1.008 344 E CA 1.747 58.116 56.400 -0.052 0.000 0.810 344 E CB 0.019 29.696 29.700 -0.039 0.000 0.739 344 E HN 0.267 nan 8.360 nan 0.000 0.456 345 D N -0.528 119.817 120.400 -0.091 0.000 2.395 345 D HA 0.047 4.669 4.640 -0.031 0.000 0.226 345 D C 0.808 177.085 176.300 -0.038 0.000 1.146 345 D CA -0.005 53.953 54.000 -0.070 0.000 0.830 345 D CB 0.240 40.983 40.800 -0.095 0.000 0.958 345 D HN 0.039 nan 8.370 nan 0.000 0.501 346 K N 0.710 121.083 120.400 -0.044 0.000 2.049 346 K HA -0.314 3.988 4.320 -0.031 0.000 0.219 346 K C 1.862 178.513 176.600 0.085 0.000 1.056 346 K CA 2.041 58.335 56.287 0.012 0.000 0.946 346 K CB -0.035 32.468 32.500 0.005 0.000 0.723 346 K HN 0.385 nan 8.250 nan 0.000 0.453 347 E N 0.448 120.681 120.200 0.056 0.000 2.110 347 E HA -0.189 4.143 4.350 -0.031 0.000 0.193 347 E C 1.922 178.574 176.600 0.086 0.000 0.988 347 E CA 1.195 57.633 56.400 0.064 0.000 0.804 347 E CB -0.238 29.484 29.700 0.037 0.000 0.745 347 E HN 0.213 nan 8.360 nan 0.000 0.458 348 R N -0.314 120.240 120.500 0.090 0.000 2.152 348 R HA -0.031 4.291 4.340 -0.031 0.000 0.232 348 R C 0.952 177.363 176.300 0.184 0.000 1.117 348 R CA 0.791 56.951 56.100 0.101 0.000 0.981 348 R CB -0.221 30.113 30.300 0.057 0.000 0.870 348 R HN 0.332 nan 8.270 nan 0.000 0.451 349 W N 0.000 121.279 121.300 -0.036 0.000 2.388 349 W HA 0.000 4.641 4.660 -0.031 0.000 0.303 349 W CA 0.000 57.328 57.345 -0.028 0.000 1.226 349 W CB 0.000 29.443 29.460 -0.028 0.000 1.126 349 W HN 0.000 nan 8.180 nan 0.000 0.535