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 3kqx_1_L DATA FIRST_RESID 86 DATA SEQUENCE SEVPQVVSLD PTSIPIEYNT PIHDIKVQVY DIKGGCNVEE GLTIFLVNNP DATA SEQUENCE GXXNGPVKIS SKVNDKXVSE FLKDENMEKF NVKLGTSKHF YMFNDNKNSV DATA SEQUENCE AVGYVGCGSV ADLSEADMKR VVLSLVTMLH DNKLSKLTVV FEINVDKNLF DATA SEQUENCE RFFLETLFYE YMTDERFKSX XXXXXXEYIK HLGVYINNAD TYKEEVEKAR DATA SEQUENCE VYYFGTYYAS QLIAAPSNYC NPVSLSNAAV ELAQKLNLEY KILGVKELEE DATA SEQUENCE LKMGAYLSVG KGSMYPNKFI HLTYKSKGDV KKKIALVGKG ITFDSGGYNL DATA SEQUENCE KAAPGSMIDL MKFDMSGCAA VLGCAYCVGT LKPENVEIHF LSAVCENMVS DATA SEQUENCE KNSYRPGDII TASNGKTIEV GNTDAEGRLT LADALVYAEK LGVDYIVDIA DATA SEQUENCE TLTGAMLYSL GTSYAGVFGN NEELINKILQ SSKTSNEPVW WLPIINEYRA DATA SEQUENCE TLNSKYADIN QISSSVKASS IVASLFLKEF VQNTAWAHID IAGVSWNFKA DATA SEQUENCE RKPKGFGVRL LTEFVLND 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 86 S HA 0.000 nan 4.470 nan 0.000 0.327 86 S C 0.000 174.634 174.600 0.056 0.000 1.055 86 S CA 0.000 58.237 58.200 0.062 0.000 1.107 86 S CB 0.000 63.238 63.200 0.063 0.000 0.593 87 E N 0.741 120.972 120.200 0.052 0.000 2.376 87 E HA 0.521 4.871 4.350 -0.000 0.000 0.266 87 E C 0.037 176.676 176.600 0.065 0.000 1.009 87 E CA -0.183 56.246 56.400 0.049 0.000 0.902 87 E CB 0.414 30.138 29.700 0.040 0.000 0.972 87 E HN 0.713 nan 8.360 nan 0.000 0.439 88 V N 6.229 126.184 119.914 0.069 0.000 2.455 88 V HA 0.279 4.399 4.120 -0.000 0.000 0.273 88 V C -1.690 174.469 176.094 0.108 0.000 1.045 88 V CA -1.187 61.176 62.300 0.105 0.000 0.976 88 V CB 0.923 32.796 31.823 0.083 0.000 0.993 88 V HN 0.823 nan 8.190 nan 0.000 0.475 89 P HA 0.281 nan 4.420 nan 0.000 0.272 89 P C -0.892 176.439 177.300 0.051 0.000 1.223 89 P CA -0.349 62.782 63.100 0.052 0.000 0.784 89 P CB 0.813 32.500 31.700 -0.023 0.000 0.923 90 Q N 0.149 119.947 119.800 -0.003 0.000 2.372 90 Q HA 0.299 4.639 4.340 -0.000 0.000 0.273 90 Q C 0.631 176.604 176.000 -0.045 0.000 1.078 90 Q CA -0.904 54.892 55.803 -0.011 0.000 0.806 90 Q CB 2.438 31.172 28.738 -0.006 0.000 1.332 90 Q HN 0.035 nan 8.270 nan 0.000 0.435 91 V N 0.588 120.471 119.914 -0.053 0.000 2.379 91 V HA 0.000 4.120 4.120 -0.000 0.000 0.243 91 V C 0.678 176.748 176.094 -0.039 0.000 1.035 91 V CA 0.822 63.088 62.300 -0.056 0.000 1.035 91 V CB 0.357 32.142 31.823 -0.063 0.000 0.673 91 V HN 0.636 nan 8.190 nan 0.000 0.457 92 V N -2.234 117.660 119.914 -0.034 0.000 2.960 92 V HA 0.580 4.700 4.120 -0.000 0.000 0.315 92 V C 1.155 177.234 176.094 -0.024 0.000 1.087 92 V CA 0.094 62.378 62.300 -0.027 0.000 0.982 92 V CB 1.432 33.239 31.823 -0.026 0.000 1.039 92 V HN 0.247 nan 8.190 nan 0.000 0.437 93 S N 1.426 117.115 115.700 -0.018 0.000 2.474 93 S HA -0.035 4.435 4.470 -0.000 0.000 0.235 93 S C 1.397 175.987 174.600 -0.016 0.000 0.997 93 S CA 1.323 59.514 58.200 -0.014 0.000 0.949 93 S CB -0.793 62.402 63.200 -0.009 0.000 0.766 93 S HN 0.741 nan 8.310 nan 0.000 0.517 94 L N 0.975 122.185 121.223 -0.020 0.000 2.478 94 L HA 0.133 4.473 4.340 -0.000 0.000 0.223 94 L C 0.189 177.028 176.870 -0.051 0.000 1.140 94 L CA 0.207 55.033 54.840 -0.025 0.000 0.842 94 L CB -0.575 41.474 42.059 -0.017 0.000 0.953 94 L HN 0.206 nan 8.230 nan 0.000 0.452 95 D N 1.991 122.354 120.400 -0.060 0.000 2.417 95 D HA 0.134 4.774 4.640 -0.000 0.000 0.250 95 D C -2.031 174.194 176.300 -0.125 0.000 1.166 95 D CA -1.103 52.838 54.000 -0.098 0.000 0.881 95 D CB 0.878 41.646 40.800 -0.054 0.000 1.164 95 D HN -0.012 nan 8.370 nan 0.000 0.467 96 P HA 0.051 nan 4.420 nan 0.000 0.271 96 P C 0.506 177.728 177.300 -0.131 0.000 1.218 96 P CA -0.167 62.778 63.100 -0.258 0.000 0.780 96 P CB 0.532 31.795 31.700 -0.728 0.000 0.901 97 T N -2.763 111.767 114.554 -0.040 0.000 3.132 97 T HA 0.328 4.678 4.350 -0.000 0.000 0.274 97 T C 0.338 175.056 174.700 0.029 0.000 1.011 97 T CA -0.202 61.899 62.100 0.002 0.000 0.899 97 T CB -0.483 68.394 68.868 0.016 0.000 1.089 97 T HN 0.560 nan 8.240 nan 0.000 0.543 98 S N 0.344 116.079 115.700 0.058 0.000 2.588 98 S HA 0.669 5.139 4.470 -0.000 0.000 0.269 98 S C -1.097 173.606 174.600 0.172 0.000 1.157 98 S CA -1.206 57.046 58.200 0.087 0.000 0.824 98 S CB 0.719 63.964 63.200 0.076 0.000 1.126 98 S HN 0.281 nan 8.310 nan 0.000 0.464 99 I N 2.735 123.388 120.570 0.138 0.000 2.416 99 I HA 0.338 4.508 4.170 -0.000 0.000 0.288 99 I C -1.982 174.176 176.117 0.068 0.000 1.051 99 I CA -1.851 59.543 61.300 0.156 0.000 1.375 99 I CB 0.749 38.786 38.000 0.062 0.000 1.407 99 I HN 0.501 nan 8.210 nan 0.000 0.516 100 P HA 0.343 nan 4.420 nan 0.000 0.275 100 P C -0.848 176.344 177.300 -0.180 0.000 1.227 100 P CA -0.093 62.937 63.100 -0.117 0.000 0.781 100 P CB 1.431 32.963 31.700 -0.280 0.000 0.906 101 I N 1.904 122.372 120.570 -0.170 0.000 2.571 101 I HA 0.243 4.413 4.170 -0.000 0.000 0.289 101 I C 0.057 176.003 176.117 -0.286 0.000 1.115 101 I CA -0.627 60.508 61.300 -0.275 0.000 1.045 101 I CB 2.157 39.953 38.000 -0.339 0.000 1.238 101 I HN 0.356 nan 8.210 nan 0.000 0.424 102 E N 5.222 125.297 120.200 -0.209 0.000 2.134 102 E HA 0.337 4.687 4.350 -0.000 0.000 0.278 102 E C -0.569 176.019 176.600 -0.021 0.000 0.959 102 E CA -0.271 56.090 56.400 -0.065 0.000 0.783 102 E CB 1.801 31.539 29.700 0.062 0.000 1.095 102 E HN 0.437 nan 8.360 nan 0.000 0.399 103 Y N 1.503 121.850 120.300 0.079 0.000 2.314 103 Y HA 0.057 4.607 4.550 -0.000 0.000 0.294 103 Y C 0.572 176.235 175.900 -0.396 0.000 1.139 103 Y CA -0.141 57.874 58.100 -0.141 0.000 1.162 103 Y CB 0.371 38.717 38.460 -0.191 0.000 1.121 103 Y HN 0.381 nan 8.280 nan 0.000 0.529 104 N N 1.354 120.006 118.700 -0.081 0.000 2.421 104 N HA 0.121 4.861 4.740 -0.000 0.000 0.260 104 N C -0.521 174.969 175.510 -0.033 0.000 1.173 104 N CA -0.106 52.844 53.050 -0.165 0.000 0.960 104 N CB 0.519 38.935 38.487 -0.117 0.000 1.273 104 N HN 0.150 nan 8.380 nan 0.000 0.497 105 T N -0.875 113.748 114.554 0.115 0.000 2.943 105 T HA 0.369 4.719 4.350 -0.000 0.000 0.284 105 T C -1.828 172.787 174.700 -0.141 0.000 1.015 105 T CA -2.218 59.895 62.100 0.021 0.000 1.042 105 T CB 1.851 70.780 68.868 0.102 0.000 1.055 105 T HN 0.028 nan 8.240 nan 0.000 0.500 106 P HA -0.056 nan 4.420 nan 0.000 0.218 106 P C 1.531 178.514 177.300 -0.527 0.000 1.146 106 P CA 0.560 63.318 63.100 -0.570 0.000 0.813 106 P CB -0.114 30.821 31.700 -1.276 0.000 0.778 107 I N -1.193 119.022 120.570 -0.591 0.000 2.286 107 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 107 I C 1.840 177.575 176.117 -0.637 0.000 1.115 107 I CA 1.669 62.542 61.300 -0.711 0.000 1.392 107 I CB -1.819 35.507 38.000 -1.123 0.000 1.065 107 I HN 0.147 nan 8.210 nan 0.000 0.418 108 H N 0.675 119.552 119.070 -0.322 0.000 2.543 108 H HA -0.083 4.473 4.556 -0.000 0.000 0.286 108 H C 1.201 176.404 175.328 -0.209 0.000 1.037 108 H CA 0.942 56.853 56.048 -0.229 0.000 1.250 108 H CB -0.044 29.620 29.762 -0.164 0.000 1.373 108 H HN 0.311 nan 8.280 nan 0.000 0.580 109 D N 0.002 120.316 120.400 -0.143 0.000 2.339 109 D HA 0.060 4.700 4.640 -0.000 0.000 0.217 109 D C 0.226 176.426 176.300 -0.167 0.000 1.050 109 D CA 0.187 54.107 54.000 -0.133 0.000 0.856 109 D CB 0.458 41.183 40.800 -0.124 0.000 0.922 109 D HN 0.363 nan 8.370 nan 0.000 0.518 110 I N 1.620 122.065 120.570 -0.207 0.000 2.379 110 I HA 0.021 4.191 4.170 -0.000 0.000 0.290 110 I C 0.726 176.760 176.117 -0.139 0.000 1.063 110 I CA -0.159 61.036 61.300 -0.174 0.000 1.351 110 I CB 0.563 38.468 38.000 -0.159 0.000 1.410 110 I HN -0.467 nan 8.210 nan 0.000 0.505 111 K N 5.581 125.889 120.400 -0.153 0.000 2.316 111 K HA 0.365 4.685 4.320 -0.000 0.000 0.289 111 K C -0.941 175.685 176.600 0.042 0.000 1.070 111 K CA -0.279 55.975 56.287 -0.055 0.000 0.928 111 K CB 0.836 33.304 32.500 -0.053 0.000 1.039 111 K HN 0.355 nan 8.250 nan 0.000 0.480 112 V N 5.383 125.324 119.914 0.046 0.000 2.398 112 V HA 0.263 4.383 4.120 -0.000 0.000 0.286 112 V C -0.333 175.756 176.094 -0.008 0.000 1.026 112 V CA -0.783 61.551 62.300 0.056 0.000 0.868 112 V CB 1.385 33.271 31.823 0.105 0.000 0.982 112 V HN 0.724 nan 8.190 nan 0.000 0.443 113 Q N 3.628 123.367 119.800 -0.101 0.000 2.394 113 Q HA 0.743 5.083 4.340 -0.000 0.000 0.273 113 Q C -1.481 174.128 176.000 -0.652 0.000 1.089 113 Q CA -0.834 54.764 55.803 -0.342 0.000 0.812 113 Q CB 3.118 31.638 28.738 -0.363 0.000 1.353 113 Q HN 0.466 nan 8.270 nan 0.000 0.438 114 V N 2.266 121.752 119.914 -0.713 0.000 2.487 114 V HA 0.511 4.631 4.120 -0.000 0.000 0.298 114 V C -1.314 174.360 176.094 -0.699 0.000 1.028 114 V CA -0.686 61.264 62.300 -0.584 0.000 0.860 114 V CB 0.823 32.498 31.823 -0.246 0.000 0.991 114 V HN 0.646 nan 8.190 nan 0.000 0.427 115 Y N 1.104 121.246 120.300 -0.262 0.000 2.536 115 Y HA 0.478 5.028 4.550 -0.000 0.000 0.347 115 Y C 0.135 175.987 175.900 -0.080 0.000 1.000 115 Y CA -1.062 56.907 58.100 -0.218 0.000 1.051 115 Y CB 1.426 39.644 38.460 -0.403 0.000 1.259 115 Y HN 0.520 nan 8.280 nan 0.000 0.468 116 D N 1.437 121.947 120.400 0.184 0.000 2.351 116 D HA 0.131 4.771 4.640 -0.000 0.000 0.251 116 D C 1.128 177.570 176.300 0.237 0.000 1.137 116 D CA 0.319 54.409 54.000 0.150 0.000 0.879 116 D CB 1.630 42.493 40.800 0.105 0.000 1.181 116 D HN 0.749 nan 8.370 nan 0.000 0.448 117 I N 3.721 124.406 120.570 0.192 0.000 2.361 117 I HA -0.263 3.907 4.170 -0.000 0.000 0.251 117 I C 2.584 178.774 176.117 0.121 0.000 1.133 117 I CA 2.519 63.929 61.300 0.184 0.000 1.413 117 I CB -1.737 36.340 38.000 0.129 0.000 1.073 117 I HN 0.688 nan 8.210 nan 0.000 0.424 118 K N 0.916 121.373 120.400 0.097 0.000 2.113 118 K HA -0.068 4.252 4.320 -0.000 0.000 0.208 118 K C 2.678 179.319 176.600 0.068 0.000 1.047 118 K CA 1.844 58.172 56.287 0.068 0.000 0.928 118 K CB -2.113 30.420 32.500 0.055 0.000 0.716 118 K HN 1.149 nan 8.250 nan 0.000 0.446 119 G N 0.026 108.885 108.800 0.099 0.000 2.475 119 G HA2 0.273 4.233 3.960 -0.000 0.000 0.220 119 G HA3 0.273 4.233 3.960 -0.000 0.000 0.220 119 G C 1.230 176.166 174.900 0.061 0.000 1.125 119 G CA 1.120 46.275 45.100 0.092 0.000 0.755 119 G HN 1.717 nan 8.290 nan 0.000 0.565 120 G N -2.490 106.337 108.800 0.044 0.000 2.699 120 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.686 120 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.686 120 G C -0.429 174.361 174.900 -0.183 0.000 1.301 120 G CA -0.519 44.556 45.100 -0.042 0.000 0.816 120 G HN 0.833 nan 8.290 nan 0.000 0.595 121 C N 1.649 120.770 119.300 -0.297 0.000 2.295 121 C HA 0.608 5.068 4.460 -0.000 0.000 0.331 121 C C 0.274 175.137 174.990 -0.211 0.000 1.280 121 C CA -1.322 57.355 59.018 -0.568 0.000 1.746 121 C CB 0.398 27.808 27.740 -0.550 0.000 2.328 121 C HN 0.657 nan 8.230 nan 0.000 0.521 122 N N 1.755 120.393 118.700 -0.103 0.000 2.434 122 N HA 0.367 5.107 4.740 -0.000 0.000 0.272 122 N C -0.699 174.819 175.510 0.014 0.000 1.040 122 N CA -0.165 52.877 53.050 -0.014 0.000 0.956 122 N CB 1.603 40.093 38.487 0.005 0.000 1.108 122 N HN 0.461 nan 8.380 nan 0.000 0.481 123 V N 1.558 121.481 119.914 0.015 0.000 2.250 123 V HA 0.337 4.457 4.120 -0.000 0.000 0.268 123 V C 1.196 177.302 176.094 0.020 0.000 1.043 123 V CA -0.273 62.044 62.300 0.027 0.000 0.814 123 V CB 0.396 32.244 31.823 0.042 0.000 1.072 123 V HN 0.827 nan 8.190 nan 0.000 0.451 124 E N 2.345 122.556 120.200 0.019 0.000 2.330 124 E HA 0.501 4.851 4.350 -0.000 0.000 0.200 124 E C 0.831 177.440 176.600 0.015 0.000 0.922 124 E CA 1.135 57.542 56.400 0.012 0.000 0.935 124 E CB 0.350 30.051 29.700 0.002 0.000 0.917 124 E HN 0.888 nan 8.360 nan 0.000 0.491 125 E N -1.762 118.449 120.200 0.018 0.000 2.429 125 E HA 0.631 4.981 4.350 -0.000 0.000 0.276 125 E C 0.976 177.593 176.600 0.029 0.000 0.953 125 E CA 0.076 56.490 56.400 0.024 0.000 0.787 125 E CB 0.591 30.300 29.700 0.015 0.000 1.307 125 E HN 1.440 nan 8.360 nan 0.000 0.458 126 G N -0.537 108.288 108.800 0.042 0.000 2.611 126 G HA2 0.078 4.038 3.960 -0.000 0.000 0.301 126 G HA3 0.078 4.038 3.960 -0.000 0.000 0.301 126 G C 0.119 175.014 174.900 -0.007 0.000 1.233 126 G CA 0.790 45.914 45.100 0.040 0.000 0.993 126 G HN 1.872 nan 8.290 nan 0.000 0.553 127 L N 0.300 121.508 121.223 -0.025 0.000 2.362 127 L HA 0.789 5.129 4.340 -0.000 0.000 0.275 127 L C -0.070 176.763 176.870 -0.061 0.000 0.998 127 L CA -0.085 54.708 54.840 -0.078 0.000 0.820 127 L CB 2.322 44.309 42.059 -0.119 0.000 1.270 127 L HN 0.736 nan 8.230 nan 0.000 0.415 128 T N 6.332 120.850 114.554 -0.060 0.000 2.809 128 T HA 0.642 4.992 4.350 -0.000 0.000 0.284 128 T C -0.720 173.935 174.700 -0.076 0.000 0.992 128 T CA -0.244 61.812 62.100 -0.074 0.000 0.957 128 T CB 0.873 69.713 68.868 -0.046 0.000 0.942 128 T HN 0.318 nan 8.240 nan 0.000 0.439 129 I N 3.802 124.267 120.570 -0.175 0.000 2.447 129 I HA 0.414 4.584 4.170 -0.000 0.000 0.287 129 I C -0.873 175.097 176.117 -0.245 0.000 1.023 129 I CA -1.010 60.224 61.300 -0.109 0.000 1.083 129 I CB 1.375 39.313 38.000 -0.103 0.000 1.245 129 I HN 0.579 nan 8.210 nan 0.000 0.434 130 F N 5.877 125.839 119.950 0.021 0.000 2.411 130 F HA 0.377 4.904 4.527 -0.000 0.000 0.355 130 F C 0.549 176.336 175.800 -0.023 0.000 1.117 130 F CA -0.503 57.498 58.000 0.001 0.000 1.139 130 F CB 0.875 39.901 39.000 0.043 0.000 1.120 130 F HN 0.152 nan 8.300 nan 0.000 0.493 131 L N 5.812 127.015 121.223 -0.033 0.000 2.363 131 L HA 0.403 4.743 4.340 -0.000 0.000 0.286 131 L C -0.353 176.525 176.870 0.013 0.000 1.106 131 L CA -0.687 54.094 54.840 -0.098 0.000 0.859 131 L CB -0.124 41.671 42.059 -0.439 0.000 1.223 131 L HN 0.400 nan 8.230 nan 0.000 0.446 132 V N 0.597 120.562 119.914 0.085 0.000 2.680 132 V HA 0.713 4.833 4.120 -0.000 0.000 0.309 132 V C -0.570 175.558 176.094 0.056 0.000 1.052 132 V CA -0.749 61.590 62.300 0.065 0.000 0.908 132 V CB 1.873 33.716 31.823 0.033 0.000 1.001 132 V HN 0.780 nan 8.190 nan 0.000 0.431 133 N N 1.650 120.372 118.700 0.036 0.000 2.469 133 N HA 0.458 5.198 4.740 -0.000 0.000 0.286 133 N C -1.202 174.316 175.510 0.015 0.000 1.275 133 N CA -0.929 52.143 53.050 0.036 0.000 0.790 133 N CB 1.858 40.372 38.487 0.045 0.000 1.446 133 N HN 0.830 nan 8.380 nan 0.000 0.501 134 N N -0.695 118.014 118.700 0.016 0.000 2.664 134 N HA 0.355 5.095 4.740 -0.000 0.000 0.257 134 N C -2.746 172.771 175.510 0.012 0.000 1.108 134 N CA -1.522 51.530 53.050 0.004 0.000 0.822 134 N CB 0.922 39.404 38.487 -0.007 0.000 1.199 134 N HN 0.354 nan 8.380 nan 0.000 0.529 135 P HA 0.077 nan 4.420 nan 0.000 0.261 135 P C 0.270 177.577 177.300 0.013 0.000 1.165 135 P CA 0.924 64.034 63.100 0.017 0.000 0.759 135 P CB 0.570 32.279 31.700 0.016 0.000 0.772 140 G N 0.540 109.350 108.800 0.016 0.000 2.651 140 G HA2 0.692 4.652 3.960 -0.000 0.000 0.260 140 G HA3 0.692 4.652 3.960 -0.000 0.000 0.260 140 G C -2.726 172.165 174.900 -0.016 0.000 1.216 140 G CA -1.059 44.040 45.100 -0.002 0.000 0.913 140 G HN 0.416 nan 8.290 nan 0.000 0.535 141 P HA 0.303 nan 4.420 nan 0.000 0.281 141 P C -0.271 176.970 177.300 -0.098 0.000 1.249 141 P CA -0.631 62.432 63.100 -0.062 0.000 0.810 141 P CB 1.331 32.988 31.700 -0.072 0.000 1.008 142 V N 0.854 120.678 119.914 -0.150 0.000 2.521 142 V HA 0.425 4.545 4.120 -0.000 0.000 0.286 142 V C 0.876 176.863 176.094 -0.179 0.000 1.034 142 V CA 0.443 62.602 62.300 -0.234 0.000 1.045 142 V CB -0.858 30.690 31.823 -0.458 0.000 0.974 142 V HN 0.709 nan 8.190 nan 0.000 0.480 143 K N 4.894 125.199 120.400 -0.158 0.000 2.471 143 K HA 0.788 5.108 4.320 -0.000 0.000 0.252 143 K C -1.139 175.370 176.600 -0.151 0.000 0.938 143 K CA -0.590 55.611 56.287 -0.143 0.000 0.796 143 K CB 1.608 34.047 32.500 -0.103 0.000 1.161 143 K HN 0.578 nan 8.250 nan 0.000 0.425 144 I N 1.177 121.630 120.570 -0.195 0.000 2.392 144 I HA 0.324 4.494 4.170 -0.000 0.000 0.295 144 I C 1.305 177.323 176.117 -0.164 0.000 0.985 144 I CA -0.078 61.076 61.300 -0.243 0.000 1.221 144 I CB 2.396 40.105 38.000 -0.484 0.000 1.366 144 I HN 0.742 nan 8.210 nan 0.000 0.467 145 S N 2.907 118.549 115.700 -0.098 0.000 2.514 145 S HA 0.283 4.753 4.470 -0.000 0.000 0.223 145 S C 1.015 175.609 174.600 -0.010 0.000 1.046 145 S CA 0.347 58.524 58.200 -0.039 0.000 0.914 145 S CB 0.054 63.253 63.200 -0.002 0.000 0.807 145 S HN 0.804 nan 8.310 nan 0.000 0.497 146 S N 1.476 117.192 115.700 0.027 0.000 2.585 146 S HA 0.599 5.069 4.470 -0.000 0.000 0.273 146 S C 0.091 174.702 174.600 0.019 0.000 1.339 146 S CA -0.139 58.097 58.200 0.060 0.000 1.028 146 S CB -0.054 63.242 63.200 0.160 0.000 0.906 146 S HN 0.592 nan 8.310 nan 0.000 0.528 147 K N 1.575 121.979 120.400 0.007 0.000 2.379 147 K HA 0.579 4.899 4.320 -0.000 0.000 0.284 147 K C -0.503 176.088 176.600 -0.014 0.000 1.044 147 K CA -0.368 55.914 56.287 -0.008 0.000 0.974 147 K CB 0.195 32.691 32.500 -0.008 0.000 0.962 147 K HN 0.728 nan 8.250 nan 0.000 0.474 148 V N 3.570 123.481 119.914 -0.005 0.000 2.384 148 V HA 0.185 4.305 4.120 -0.000 0.000 0.287 148 V C -0.127 175.967 176.094 -0.001 0.000 1.020 148 V CA -1.087 61.217 62.300 0.008 0.000 0.850 148 V CB 1.540 33.393 31.823 0.051 0.000 0.987 148 V HN 0.917 nan 8.190 nan 0.000 0.436 149 N N 4.205 122.898 118.700 -0.012 0.000 2.652 149 N HA 0.122 4.862 4.740 -0.000 0.000 0.259 149 N C -0.315 175.196 175.510 0.002 0.000 1.240 149 N CA 0.257 53.302 53.050 -0.008 0.000 0.951 149 N CB -0.114 38.364 38.487 -0.015 0.000 1.281 149 N HN 0.773 nan 8.380 nan 0.000 0.507 150 D N -0.585 119.821 120.400 0.010 0.000 2.795 150 D HA 0.176 4.816 4.640 -0.000 0.000 0.206 150 D C -0.599 175.714 176.300 0.022 0.000 1.278 150 D CA -0.253 53.756 54.000 0.016 0.000 0.839 150 D CB 1.019 41.831 40.800 0.021 0.000 1.700 150 D HN 0.098 nan 8.370 nan 0.000 0.549 154 S N 1.166 116.908 115.700 0.071 0.000 2.368 154 S HA -0.233 4.237 4.470 -0.000 0.000 0.226 154 S C 2.186 176.799 174.600 0.022 0.000 1.044 154 S CA 3.413 61.630 58.200 0.028 0.000 1.062 154 S CB -0.372 62.834 63.200 0.009 0.000 0.931 154 S HN 1.449 nan 8.310 nan 0.000 0.440 155 E N 0.572 120.797 120.200 0.040 0.000 2.160 155 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 155 E C 1.657 178.287 176.600 0.050 0.000 0.991 155 E CA 1.599 58.018 56.400 0.031 0.000 0.810 155 E CB -1.090 28.631 29.700 0.035 0.000 0.742 155 E HN 0.681 nan 8.360 nan 0.000 0.466 156 F N 0.250 120.169 119.950 -0.051 0.000 2.206 156 F HA 0.156 4.683 4.527 -0.000 0.000 0.298 156 F C 1.877 177.634 175.800 -0.072 0.000 1.090 156 F CA 1.034 58.995 58.000 -0.065 0.000 1.323 156 F CB 0.153 39.121 39.000 -0.052 0.000 1.028 156 F HN 0.118 nan 8.300 nan 0.000 0.492 157 L N 0.834 121.975 121.223 -0.137 0.000 2.612 157 L HA 0.148 4.488 4.340 -0.000 0.000 0.230 157 L C 1.201 177.933 176.870 -0.231 0.000 1.140 157 L CA 0.000 54.680 54.840 -0.267 0.000 0.896 157 L CB -1.490 40.452 42.059 -0.196 0.000 1.065 157 L HN 0.022 nan 8.230 nan 0.000 0.447 158 K N 0.527 120.819 120.400 -0.180 0.000 2.527 158 K HA -0.080 4.240 4.320 -0.000 0.000 0.278 158 K C 0.832 177.327 176.600 -0.175 0.000 0.981 158 K CA 0.385 56.584 56.287 -0.146 0.000 1.009 158 K CB -0.075 32.356 32.500 -0.115 0.000 0.895 158 K HN 0.067 nan 8.250 nan 0.000 0.493 159 D N 1.863 122.176 120.400 -0.145 0.000 2.149 159 D HA -0.194 4.446 4.640 -0.000 0.000 0.194 159 D C 2.396 178.605 176.300 -0.152 0.000 1.001 159 D CA 2.185 56.099 54.000 -0.143 0.000 0.849 159 D CB -0.429 40.303 40.800 -0.113 0.000 0.939 159 D HN 0.898 nan 8.370 nan 0.000 0.449 160 E N 0.573 120.690 120.200 -0.138 0.000 2.086 160 E HA -0.323 4.027 4.350 -0.000 0.000 0.200 160 E C 1.957 178.445 176.600 -0.188 0.000 1.012 160 E CA 2.244 58.560 56.400 -0.140 0.000 0.812 160 E CB -1.855 27.777 29.700 -0.113 0.000 0.743 160 E HN 0.633 nan 8.360 nan 0.000 0.453 161 N N -0.050 118.517 118.700 -0.221 0.000 2.250 161 N HA -0.006 4.734 4.740 -0.000 0.000 0.181 161 N C 2.116 177.424 175.510 -0.336 0.000 1.017 161 N CA 1.592 54.465 53.050 -0.295 0.000 0.866 161 N CB -0.302 37.980 38.487 -0.341 0.000 0.985 161 N HN 0.389 nan 8.380 nan 0.000 0.429 162 M N 0.627 120.077 119.600 -0.250 0.000 2.229 162 M HA -0.008 4.472 4.480 -0.000 0.000 0.264 162 M C 2.540 178.745 176.300 -0.159 0.000 1.063 162 M CA 1.568 56.797 55.300 -0.119 0.000 1.114 162 M CB -1.290 31.211 32.600 -0.166 0.000 1.387 162 M HN 0.715 nan 8.290 nan 0.000 0.420 163 E N 1.387 121.460 120.200 -0.212 0.000 2.267 163 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 163 E C 2.144 178.588 176.600 -0.261 0.000 0.998 163 E CA 1.967 58.252 56.400 -0.192 0.000 0.830 163 E CB -1.180 28.425 29.700 -0.159 0.000 0.751 163 E HN 0.709 nan 8.360 nan 0.000 0.491 164 K N -0.381 119.733 120.400 -0.476 0.000 2.504 164 K HA 0.318 4.638 4.320 -0.000 0.000 0.195 164 K C 0.437 176.693 176.600 -0.574 0.000 1.036 164 K CA 0.836 56.771 56.287 -0.586 0.000 0.984 164 K CB -0.613 31.440 32.500 -0.745 0.000 0.788 164 K HN 0.530 nan 8.250 nan 0.000 0.488 165 F N 0.188 120.111 119.950 -0.046 0.000 2.538 165 F HA 0.430 4.957 4.527 -0.000 0.000 0.325 165 F C 0.376 176.124 175.800 -0.087 0.000 1.066 165 F CA -1.480 56.514 58.000 -0.009 0.000 0.946 165 F CB 1.932 40.930 39.000 -0.004 0.000 1.199 165 F HN 0.262 nan 8.300 nan 0.000 0.473 166 N N -1.251 117.568 118.700 0.199 0.000 2.381 166 N HA 0.492 5.232 4.740 -0.000 0.000 0.294 166 N C -0.801 174.770 175.510 0.102 0.000 1.216 166 N CA -0.899 52.203 53.050 0.087 0.000 0.803 166 N CB 1.728 40.270 38.487 0.093 0.000 1.372 166 N HN 0.293 nan 8.380 nan 0.000 0.500 167 V N -0.942 119.007 119.914 0.058 0.000 3.577 167 V HA 0.092 4.211 4.120 -0.000 0.000 0.294 167 V C 0.775 176.947 176.094 0.129 0.000 1.317 167 V CA -0.032 62.322 62.300 0.090 0.000 1.169 167 V CB -1.731 30.108 31.823 0.027 0.000 1.011 167 V HN 0.767 nan 8.190 nan 0.000 0.426 168 K N 1.603 122.081 120.400 0.130 0.000 2.550 168 K HA -0.059 4.261 4.320 -0.000 0.000 0.280 168 K C -0.038 176.628 176.600 0.109 0.000 0.987 168 K CA 0.192 56.541 56.287 0.104 0.000 1.048 168 K CB 0.102 32.661 32.500 0.098 0.000 0.879 168 K HN 0.286 nan 8.250 nan 0.000 0.491 169 L N 5.005 126.279 121.223 0.085 0.000 2.628 169 L HA -0.039 4.301 4.340 -0.000 0.000 0.274 169 L C 1.186 178.099 176.870 0.071 0.000 1.209 169 L CA 1.627 56.515 54.840 0.080 0.000 0.930 169 L CB -0.519 41.581 42.059 0.070 0.000 1.183 169 L HN 1.158 nan 8.230 nan 0.000 0.492 170 G N 1.713 110.551 108.800 0.064 0.000 2.189 170 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.267 170 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.267 170 G C 0.585 175.492 174.900 0.011 0.000 0.975 170 G CA 0.570 45.690 45.100 0.032 0.000 0.644 170 G HN 0.983 nan 8.290 nan 0.000 0.537 171 T N -0.116 114.466 114.554 0.046 0.000 2.940 171 T HA 0.670 5.019 4.350 -0.000 0.000 0.309 171 T C 0.659 175.271 174.700 -0.147 0.000 1.056 171 T CA 1.555 63.670 62.100 0.026 0.000 1.137 171 T CB 0.276 69.228 68.868 0.141 0.000 0.976 171 T HN 1.992 nan 8.240 nan 0.000 0.547 172 S N -0.219 115.315 115.700 -0.277 0.000 2.579 172 S HA 0.950 5.420 4.470 -0.000 0.000 0.272 172 S C -0.731 173.560 174.600 -0.516 0.000 1.141 172 S CA -0.121 57.714 58.200 -0.609 0.000 0.843 172 S CB 1.433 64.413 63.200 -0.367 0.000 1.122 172 S HN 1.406 nan 8.310 nan 0.000 0.468 173 K N 0.947 120.932 120.400 -0.691 0.000 2.527 173 K HA 0.805 5.125 4.320 -0.000 0.000 0.260 173 K C -1.143 175.355 176.600 -0.170 0.000 0.937 173 K CA -0.746 55.327 56.287 -0.357 0.000 0.826 173 K CB 1.241 33.539 32.500 -0.335 0.000 1.359 173 K HN 1.461 nan 8.250 nan 0.000 0.434 174 H N -0.326 118.505 119.070 -0.399 0.000 3.012 174 H HA 0.792 5.348 4.556 -0.000 0.000 0.367 174 H C -1.845 173.183 175.328 -0.501 0.000 1.211 174 H CA -1.562 54.334 56.048 -0.253 0.000 1.139 174 H CB 1.309 30.943 29.762 -0.213 0.000 1.838 174 H HN 0.438 nan 8.280 nan 0.000 0.550 175 F N 1.044 120.895 119.950 -0.165 0.000 2.556 175 F HA 0.346 4.873 4.527 -0.000 0.000 0.314 175 F C -0.737 174.863 175.800 -0.333 0.000 1.106 175 F CA -0.822 57.052 58.000 -0.211 0.000 0.911 175 F CB 1.805 40.685 39.000 -0.200 0.000 1.190 175 F HN 0.394 nan 8.300 nan 0.000 0.448 176 Y N 4.592 124.897 120.300 0.007 0.000 2.335 176 Y HA 0.586 5.136 4.550 -0.000 0.000 0.331 176 Y C 0.456 176.333 175.900 -0.038 0.000 1.094 176 Y CA -0.378 57.714 58.100 -0.014 0.000 1.253 176 Y CB 1.066 39.520 38.460 -0.010 0.000 1.203 176 Y HN 0.512 nan 8.280 nan 0.000 0.508 177 M N 1.321 120.944 119.600 0.038 0.000 2.773 177 M HA 0.775 5.255 4.480 -0.000 0.000 0.270 177 M C -1.732 174.575 176.300 0.012 0.000 1.238 177 M CA -1.049 54.245 55.300 -0.011 0.000 0.832 177 M CB 1.082 33.594 32.600 -0.146 0.000 1.672 177 M HN 0.422 nan 8.290 nan 0.000 0.480 178 F N 1.888 121.845 119.950 0.012 0.000 2.394 178 F HA 0.640 5.167 4.527 -0.000 0.000 0.340 178 F C -0.044 175.759 175.800 0.005 0.000 1.105 178 F CA -0.706 57.305 58.000 0.018 0.000 1.124 178 F CB 0.403 39.416 39.000 0.022 0.000 1.145 178 F HN 0.899 nan 8.300 nan 0.000 0.505 179 N N 0.424 119.129 118.700 0.009 0.000 2.514 179 N HA 0.140 4.880 4.740 -0.000 0.000 0.299 179 N C 0.215 175.732 175.510 0.012 0.000 1.292 179 N CA 0.119 53.175 53.050 0.009 0.000 0.963 179 N CB -0.051 38.442 38.487 0.011 0.000 1.124 179 N HN 0.479 nan 8.380 nan 0.000 0.580 180 D N -1.094 119.313 120.400 0.012 0.000 2.265 180 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 180 D C 0.098 176.404 176.300 0.010 0.000 0.977 180 D CA 1.058 55.064 54.000 0.011 0.000 0.871 180 D CB -0.206 40.599 40.800 0.009 0.000 0.925 180 D HN 0.481 nan 8.370 nan 0.000 0.485 181 N N -0.192 118.514 118.700 0.010 0.000 2.238 181 N HA 0.041 4.781 4.740 -0.000 0.000 0.222 181 N C 0.586 176.103 175.510 0.012 0.000 1.133 181 N CA 0.526 53.581 53.050 0.010 0.000 0.854 181 N CB 0.835 39.327 38.487 0.008 0.000 1.041 181 N HN 0.161 nan 8.380 nan 0.000 0.510 182 K N 0.064 120.472 120.400 0.013 0.000 3.129 182 K HA -0.184 4.136 4.320 -0.000 0.000 0.273 182 K C -0.199 176.413 176.600 0.019 0.000 1.123 182 K CA 1.070 57.367 56.287 0.015 0.000 0.800 182 K CB -2.779 29.729 32.500 0.013 0.000 1.238 182 K HN 0.355 nan 8.250 nan 0.000 0.492 183 N N 0.118 118.830 118.700 0.021 0.000 2.473 183 N HA 0.581 5.321 4.740 -0.000 0.000 0.291 183 N C 0.474 176.006 175.510 0.037 0.000 1.083 183 N CA 0.320 53.386 53.050 0.027 0.000 0.951 183 N CB 1.698 40.199 38.487 0.024 0.000 1.164 183 N HN 0.808 nan 8.380 nan 0.000 0.480 184 S N 0.729 116.462 115.700 0.055 0.000 2.443 184 S HA 0.501 4.971 4.470 -0.000 0.000 0.284 184 S C 0.390 175.045 174.600 0.091 0.000 1.206 184 S CA -0.526 57.728 58.200 0.091 0.000 1.074 184 S CB -0.671 62.602 63.200 0.122 0.000 0.963 184 S HN 0.602 nan 8.310 nan 0.000 0.501 185 V N 1.266 121.210 119.914 0.050 0.000 2.769 185 V HA 0.961 5.081 4.120 -0.000 0.000 0.312 185 V C 0.198 176.220 176.094 -0.120 0.000 1.058 185 V CA -0.856 61.439 62.300 -0.009 0.000 0.952 185 V CB 1.488 33.301 31.823 -0.017 0.000 1.019 185 V HN 1.318 nan 8.190 nan 0.000 0.445 186 A N 2.796 125.474 122.820 -0.238 0.000 2.318 186 A HA 0.978 5.298 4.320 -0.000 0.000 0.317 186 A C -0.455 177.015 177.584 -0.190 0.000 1.159 186 A CA 0.080 51.845 52.037 -0.453 0.000 0.799 186 A CB 0.852 19.310 19.000 -0.903 0.000 1.194 186 A HN 2.597 nan 8.150 nan 0.000 0.479 187 V N 1.147 120.993 119.914 -0.112 0.000 2.680 187 V HA 0.978 5.098 4.120 -0.000 0.000 0.309 187 V C 0.318 176.572 176.094 0.267 0.000 1.052 187 V CA -0.066 62.297 62.300 0.106 0.000 0.908 187 V CB 1.840 33.781 31.823 0.197 0.000 1.001 187 V HN 1.638 nan 8.190 nan 0.000 0.431 188 G N 1.712 110.710 108.800 0.330 0.000 2.619 188 G HA2 0.776 4.736 3.960 -0.000 0.000 0.305 188 G HA3 0.776 4.736 3.960 -0.000 0.000 0.305 188 G C -1.603 173.511 174.900 0.356 0.000 1.330 188 G CA 0.136 45.432 45.100 0.326 0.000 0.789 188 G HN 2.124 nan 8.290 nan 0.000 0.487 189 Y N -1.816 118.553 120.300 0.116 0.000 2.588 189 Y HA 0.793 5.343 4.550 -0.000 0.000 0.343 189 Y C -1.330 174.583 175.900 0.021 0.000 1.065 189 Y CA -1.558 56.597 58.100 0.093 0.000 1.038 189 Y CB 1.686 40.188 38.460 0.070 0.000 1.297 189 Y HN 0.484 nan 8.280 nan 0.000 0.467 190 V N 2.596 122.517 119.914 0.011 0.000 2.448 190 V HA 0.650 4.770 4.120 -0.000 0.000 0.295 190 V C 0.522 176.751 176.094 0.224 0.000 1.025 190 V CA -0.480 61.785 62.300 -0.059 0.000 0.859 190 V CB 1.440 33.232 31.823 -0.052 0.000 0.988 190 V HN 1.128 nan 8.190 nan 0.000 0.431 191 G N 2.560 111.522 108.800 0.270 0.000 2.334 191 G HA2 0.212 4.172 3.960 -0.000 0.000 0.261 191 G HA3 0.212 4.172 3.960 -0.000 0.000 0.261 191 G C 0.424 175.413 174.900 0.148 0.000 1.257 191 G CA -0.156 45.122 45.100 0.296 0.000 0.935 191 G HN 0.906 nan 8.290 nan 0.000 0.480 192 C N 3.049 122.420 119.300 0.118 0.000 2.563 192 C HA 0.621 5.081 4.460 -0.000 0.000 0.307 192 C C 1.717 176.754 174.990 0.077 0.000 1.371 192 C CA -0.144 58.925 59.018 0.085 0.000 1.772 192 C CB -1.656 26.124 27.740 0.066 0.000 2.283 192 C HN 1.363 nan 8.230 nan 0.000 0.570 193 G N 1.639 110.487 108.800 0.080 0.000 2.575 193 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.267 193 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.267 193 G C 0.763 175.695 174.900 0.053 0.000 1.264 193 G CA 0.288 45.428 45.100 0.066 0.000 0.935 193 G HN 0.357 nan 8.290 nan 0.000 0.568 194 S N -1.080 114.648 115.700 0.047 0.000 2.526 194 S HA 0.398 4.868 4.470 -0.000 0.000 0.220 194 S C 0.860 175.483 174.600 0.038 0.000 1.017 194 S CA 0.635 58.858 58.200 0.038 0.000 0.930 194 S CB 0.400 63.619 63.200 0.032 0.000 0.856 194 S HN 0.775 nan 8.310 nan 0.000 0.497 195 V N 1.975 121.916 119.914 0.045 0.000 2.607 195 V HA 0.459 4.579 4.120 -0.000 0.000 0.289 195 V C 1.308 177.433 176.094 0.051 0.000 1.053 195 V CA -0.073 62.255 62.300 0.046 0.000 0.996 195 V CB 1.174 33.027 31.823 0.050 0.000 0.995 195 V HN 0.331 nan 8.190 nan 0.000 0.476 196 A N 3.053 125.902 122.820 0.048 0.000 1.840 196 A HA 0.091 4.411 4.320 -0.000 0.000 0.214 196 A C 1.269 178.890 177.584 0.062 0.000 1.198 196 A CA 1.347 53.415 52.037 0.051 0.000 0.608 196 A CB -0.777 18.250 19.000 0.045 0.000 0.839 196 A HN 0.977 nan 8.150 nan 0.000 0.443 197 D N -0.016 120.420 120.400 0.060 0.000 2.280 197 D HA 0.526 5.166 4.640 -0.000 0.000 0.243 197 D C -0.699 175.645 176.300 0.072 0.000 1.129 197 D CA -0.515 53.525 54.000 0.067 0.000 0.848 197 D CB 0.588 41.423 40.800 0.058 0.000 1.107 197 D HN 0.129 nan 8.370 nan 0.000 0.471 198 L N 2.381 123.656 121.223 0.086 0.000 2.305 198 L HA 0.375 4.715 4.340 -0.000 0.000 0.281 198 L C 1.321 178.238 176.870 0.078 0.000 1.085 198 L CA -0.668 54.228 54.840 0.093 0.000 0.813 198 L CB 1.334 43.467 42.059 0.122 0.000 1.157 198 L HN 0.638 nan 8.230 nan 0.000 0.436 199 S N 2.830 118.574 115.700 0.074 0.000 2.593 199 S HA 0.077 4.547 4.470 -0.000 0.000 0.269 199 S C 1.186 175.808 174.600 0.036 0.000 1.334 199 S CA -0.049 58.182 58.200 0.053 0.000 1.015 199 S CB 0.603 63.848 63.200 0.075 0.000 0.912 199 S HN 0.727 nan 8.310 nan 0.000 0.541 200 E N 1.982 122.137 120.200 -0.074 0.000 2.136 200 E HA -0.289 4.061 4.350 -0.000 0.000 0.202 200 E C 1.893 178.561 176.600 0.113 0.000 1.019 200 E CA 2.020 58.294 56.400 -0.210 0.000 0.819 200 E CB -0.867 28.587 29.700 -0.409 0.000 0.739 200 E HN 0.834 nan 8.360 nan 0.000 0.458 201 A N 1.368 124.261 122.820 0.122 0.000 1.898 201 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 201 A C 1.886 179.566 177.584 0.160 0.000 1.181 201 A CA 1.657 53.792 52.037 0.164 0.000 0.620 201 A CB -0.379 18.709 19.000 0.146 0.000 0.819 201 A HN 0.310 nan 8.150 nan 0.000 0.442 202 D N -0.733 119.750 120.400 0.139 0.000 2.144 202 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 202 D C 1.779 178.178 176.300 0.165 0.000 0.978 202 D CA 1.614 55.693 54.000 0.131 0.000 0.833 202 D CB -0.362 40.504 40.800 0.111 0.000 0.961 202 D HN 0.408 nan 8.370 nan 0.000 0.470 203 M N 1.135 120.871 119.600 0.227 0.000 2.175 203 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 203 M C 2.063 178.521 176.300 0.264 0.000 1.063 203 M CA 1.291 56.775 55.300 0.306 0.000 1.119 203 M CB -0.210 32.671 32.600 0.468 0.000 1.377 203 M HN -0.278 nan 8.290 nan 0.000 0.415 204 K N -0.168 120.403 120.400 0.284 0.000 2.063 204 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 204 K C 2.203 178.857 176.600 0.090 0.000 1.048 204 K CA 1.878 58.263 56.287 0.163 0.000 0.928 204 K CB -0.534 32.085 32.500 0.198 0.000 0.713 204 K HN 0.599 nan 8.250 nan 0.000 0.442 205 R N -0.278 120.284 120.500 0.103 0.000 2.096 205 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 205 R C 2.354 178.683 176.300 0.047 0.000 1.127 205 R CA 1.549 57.689 56.100 0.068 0.000 0.968 205 R CB -0.572 29.773 30.300 0.074 0.000 0.861 205 R HN 0.166 nan 8.270 nan 0.000 0.440 206 V N 0.475 120.432 119.914 0.072 0.000 2.261 206 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 206 V C 2.383 178.491 176.094 0.023 0.000 1.047 206 V CA 1.606 63.944 62.300 0.064 0.000 1.015 206 V CB -0.358 31.534 31.823 0.116 0.000 0.642 206 V HN 0.107 nan 8.190 nan 0.000 0.446 207 V N -0.090 119.825 119.914 0.001 0.000 2.332 207 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 207 V C 2.357 178.363 176.094 -0.147 0.000 1.055 207 V CA 1.995 64.205 62.300 -0.149 0.000 1.038 207 V CB -0.611 31.038 31.823 -0.290 0.000 0.651 207 V HN 0.445 nan 8.190 nan 0.000 0.450 208 L N -0.030 121.145 121.223 -0.080 0.000 2.042 208 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 208 L C 2.720 179.539 176.870 -0.084 0.000 1.076 208 L CA 2.059 56.860 54.840 -0.066 0.000 0.749 208 L CB -0.735 41.316 42.059 -0.015 0.000 0.893 208 L HN 0.451 nan 8.230 nan 0.000 0.432 209 S N 0.009 115.664 115.700 -0.074 0.000 2.368 209 S HA -0.170 4.300 4.470 -0.000 0.000 0.224 209 S C 1.944 176.456 174.600 -0.147 0.000 1.029 209 S CA 0.922 59.067 58.200 -0.091 0.000 0.988 209 S CB -0.170 62.987 63.200 -0.073 0.000 0.838 209 S HN 0.250 nan 8.310 nan 0.000 0.462 210 L N 1.801 122.929 121.223 -0.158 0.000 2.042 210 L HA 0.008 4.348 4.340 -0.000 0.000 0.210 210 L C 2.365 179.058 176.870 -0.295 0.000 1.076 210 L CA 1.712 56.423 54.840 -0.215 0.000 0.749 210 L CB -0.973 40.971 42.059 -0.191 0.000 0.893 210 L HN 0.254 nan 8.230 nan 0.000 0.432 211 V N -1.195 118.540 119.914 -0.299 0.000 2.453 211 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 211 V C 2.429 178.293 176.094 -0.383 0.000 1.048 211 V CA 1.848 63.897 62.300 -0.418 0.000 1.049 211 V CB -0.733 30.882 31.823 -0.347 0.000 0.672 211 V HN 0.499 nan 8.190 nan 0.000 0.457 212 T N 0.134 114.568 114.554 -0.199 0.000 2.699 212 T HA -0.266 4.084 4.350 -0.000 0.000 0.268 212 T C 1.882 176.514 174.700 -0.115 0.000 1.036 212 T CA 1.970 64.015 62.100 -0.092 0.000 1.147 212 T CB -0.286 68.547 68.868 -0.059 0.000 0.862 212 T HN 0.336 nan 8.240 nan 0.000 0.446 213 M N 0.210 119.685 119.600 -0.209 0.000 2.132 213 M HA 0.014 4.494 4.480 -0.000 0.000 0.263 213 M C 2.277 178.433 176.300 -0.240 0.000 1.065 213 M CA 1.478 56.606 55.300 -0.287 0.000 1.122 213 M CB -0.552 31.764 32.600 -0.474 0.000 1.365 213 M HN 0.197 nan 8.290 nan 0.000 0.411 214 L N -1.012 120.030 121.223 -0.301 0.000 2.046 214 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 214 L C 2.225 179.059 176.870 -0.060 0.000 1.077 214 L CA 1.548 56.218 54.840 -0.283 0.000 0.747 214 L CB -0.889 40.787 42.059 -0.638 0.000 0.896 214 L HN 0.409 nan 8.230 nan 0.000 0.432 215 H N -0.578 118.470 119.070 -0.036 0.000 2.491 215 H HA -0.115 4.441 4.556 -0.000 0.000 0.290 215 H C 0.565 175.873 175.328 -0.033 0.000 1.050 215 H CA 0.944 56.981 56.048 -0.018 0.000 1.309 215 H CB 0.106 29.857 29.762 -0.018 0.000 1.392 215 H HN 0.534 nan 8.280 nan 0.000 0.554 216 D N -0.888 119.559 120.400 0.079 0.000 2.670 216 D HA 0.084 4.724 4.640 -0.000 0.000 0.255 216 D C -0.481 175.855 176.300 0.059 0.000 1.286 216 D CA -0.354 53.680 54.000 0.057 0.000 0.830 216 D CB -0.031 40.800 40.800 0.053 0.000 1.065 216 D HN 0.057 nan 8.370 nan 0.000 0.486 217 N N 0.026 118.757 118.700 0.051 0.000 2.454 217 N HA 0.095 4.835 4.740 -0.000 0.000 0.291 217 N C -1.250 174.297 175.510 0.061 0.000 1.079 217 N CA -0.510 52.587 53.050 0.079 0.000 0.893 217 N CB 2.017 40.559 38.487 0.092 0.000 1.512 217 N HN -0.164 nan 8.380 nan 0.000 0.497 218 K N 2.449 122.885 120.400 0.060 0.000 2.278 218 K HA 0.390 4.710 4.320 -0.000 0.000 0.289 218 K C 0.081 176.724 176.600 0.071 0.000 1.080 218 K CA -0.185 56.129 56.287 0.046 0.000 0.934 218 K CB -0.293 32.224 32.500 0.027 0.000 1.093 218 K HN 0.385 nan 8.250 nan 0.000 0.459 219 L N 1.402 122.669 121.223 0.073 0.000 2.386 219 L HA 0.353 4.693 4.340 -0.000 0.000 0.271 219 L C 1.509 178.435 176.870 0.094 0.000 0.993 219 L CA -0.511 54.378 54.840 0.082 0.000 0.819 219 L CB 2.352 44.444 42.059 0.056 0.000 1.294 219 L HN 0.677 nan 8.230 nan 0.000 0.414 220 S N 0.033 115.795 115.700 0.102 0.000 2.439 220 S HA 0.021 4.491 4.470 -0.000 0.000 0.224 220 S C 0.630 175.334 174.600 0.173 0.000 1.029 220 S CA 0.180 58.461 58.200 0.134 0.000 0.946 220 S CB 0.292 63.575 63.200 0.138 0.000 0.797 220 S HN 0.333 nan 8.310 nan 0.000 0.504 221 K N 0.310 120.792 120.400 0.136 0.000 2.422 221 K HA 0.696 5.016 4.320 -0.000 0.000 0.251 221 K C -1.847 174.797 176.600 0.074 0.000 0.933 221 K CA -0.963 55.409 56.287 0.141 0.000 0.798 221 K CB 1.381 33.952 32.500 0.119 0.000 1.238 221 K HN 0.420 nan 8.250 nan 0.000 0.428 222 L N 2.810 124.073 121.223 0.066 0.000 2.346 222 L HA 0.755 5.095 4.340 -0.000 0.000 0.276 222 L C -0.375 176.525 176.870 0.050 0.000 1.006 222 L CA 0.208 55.055 54.840 0.013 0.000 0.817 222 L CB 2.188 44.218 42.059 -0.050 0.000 1.272 222 L HN 0.954 nan 8.230 nan 0.000 0.421 223 T N 2.365 116.940 114.554 0.034 0.000 2.841 223 T HA 0.774 5.124 4.350 -0.000 0.000 0.283 223 T C -0.940 173.763 174.700 0.006 0.000 1.000 223 T CA -0.639 61.506 62.100 0.075 0.000 0.977 223 T CB 1.421 70.386 68.868 0.160 0.000 0.979 223 T HN 0.422 nan 8.240 nan 0.000 0.446 224 V N 3.830 123.774 119.914 0.051 0.000 2.448 224 V HA 0.551 4.671 4.120 -0.000 0.000 0.295 224 V C -0.319 175.765 176.094 -0.017 0.000 1.025 224 V CA -0.782 61.493 62.300 -0.041 0.000 0.859 224 V CB 1.853 33.690 31.823 0.023 0.000 0.988 224 V HN 0.906 nan 8.190 nan 0.000 0.431 225 V N 5.387 125.164 119.914 -0.228 0.000 2.334 225 V HA 0.409 4.529 4.120 -0.000 0.000 0.281 225 V C -0.442 175.586 176.094 -0.111 0.000 1.016 225 V CA -0.452 61.766 62.300 -0.136 0.000 0.832 225 V CB 1.155 32.688 31.823 -0.483 0.000 0.999 225 V HN 0.680 nan 8.190 nan 0.000 0.439 226 F N 3.651 123.563 119.950 -0.062 0.000 2.464 226 F HA 0.280 4.807 4.527 -0.000 0.000 0.353 226 F C 1.351 177.145 175.800 -0.009 0.000 1.191 226 F CA 0.082 58.033 58.000 -0.082 0.000 1.147 226 F CB 0.424 39.326 39.000 -0.164 0.000 1.294 226 F HN 0.554 nan 8.300 nan 0.000 0.583 227 E N 5.114 125.378 120.200 0.107 0.000 2.585 227 E HA 0.199 4.549 4.350 -0.000 0.000 0.206 227 E C 0.047 176.698 176.600 0.085 0.000 1.007 227 E CA 0.023 56.490 56.400 0.112 0.000 1.028 227 E CB 0.390 30.166 29.700 0.126 0.000 1.087 227 E HN 0.573 nan 8.360 nan 0.000 0.455 228 I N -3.109 117.525 120.570 0.106 0.000 3.108 228 I HA 0.510 4.679 4.170 -0.000 0.000 0.312 228 I C -0.775 175.429 176.117 0.144 0.000 1.095 228 I CA -1.364 60.000 61.300 0.107 0.000 1.000 228 I CB 1.930 39.984 38.000 0.091 0.000 1.229 228 I HN -0.300 nan 8.210 nan 0.000 0.454 229 N N 1.506 120.278 118.700 0.120 0.000 2.438 229 N HA 0.633 5.373 4.740 -0.000 0.000 0.282 229 N C -1.126 174.465 175.510 0.134 0.000 1.037 229 N CA -0.391 52.726 53.050 0.112 0.000 0.942 229 N CB 1.924 40.463 38.487 0.086 0.000 1.136 229 N HN 0.596 nan 8.380 nan 0.000 0.481 230 V N -0.312 119.680 119.914 0.130 0.000 2.733 230 V HA 0.465 4.585 4.120 -0.000 0.000 0.306 230 V C -0.279 175.942 176.094 0.213 0.000 1.084 230 V CA -1.156 61.243 62.300 0.164 0.000 0.905 230 V CB 1.710 33.648 31.823 0.191 0.000 1.010 230 V HN 0.507 nan 8.190 nan 0.000 0.424 231 D N 2.897 123.402 120.400 0.176 0.000 2.563 231 D HA -0.011 4.629 4.640 -0.000 0.000 0.229 231 D C 1.224 177.668 176.300 0.240 0.000 1.159 231 D CA 0.711 54.801 54.000 0.150 0.000 0.869 231 D CB 1.154 42.021 40.800 0.112 0.000 1.203 231 D HN 0.763 nan 8.370 nan 0.000 0.478 232 K N 2.095 122.560 120.400 0.109 0.000 2.044 232 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 232 K C 1.643 178.378 176.600 0.225 0.000 1.049 232 K CA 1.244 57.603 56.287 0.120 0.000 0.927 232 K CB -0.004 32.439 32.500 -0.095 0.000 0.713 232 K HN 0.409 nan 8.250 nan 0.000 0.443 233 N N 0.912 119.696 118.700 0.139 0.000 2.166 233 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 233 N C 1.768 177.399 175.510 0.202 0.000 1.019 233 N CA 0.928 54.061 53.050 0.138 0.000 0.856 233 N CB -0.198 38.337 38.487 0.080 0.000 0.993 233 N HN 0.073 nan 8.380 nan 0.000 0.426 234 L N 0.279 121.628 121.223 0.211 0.000 2.156 234 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 234 L C 2.009 179.093 176.870 0.357 0.000 1.095 234 L CA 1.011 56.007 54.840 0.259 0.000 0.770 234 L CB -0.760 41.416 42.059 0.195 0.000 0.914 234 L HN -0.021 nan 8.230 nan 0.000 0.439 235 F N 0.547 120.602 119.950 0.176 0.000 2.095 235 F HA -0.261 4.266 4.527 -0.000 0.000 0.298 235 F C 2.762 178.666 175.800 0.174 0.000 1.104 235 F CA 2.151 60.206 58.000 0.092 0.000 1.232 235 F CB -0.387 38.631 39.000 0.030 0.000 0.987 235 F HN 0.067 nan 8.300 nan 0.000 0.475 236 R N -0.726 119.835 120.500 0.101 0.000 2.083 236 R HA -0.250 4.090 4.340 -0.000 0.000 0.237 236 R C 2.437 178.725 176.300 -0.021 0.000 1.137 236 R CA 2.054 58.135 56.100 -0.033 0.000 0.951 236 R CB -0.942 29.400 30.300 0.071 0.000 0.851 236 R HN 0.419 nan 8.270 nan 0.000 0.434 237 F N 0.651 120.594 119.950 -0.013 0.000 2.126 237 F HA -0.239 4.288 4.527 -0.000 0.000 0.299 237 F C 1.883 177.664 175.800 -0.032 0.000 1.096 237 F CA 1.577 59.581 58.000 0.007 0.000 1.255 237 F CB -0.626 38.408 39.000 0.058 0.000 0.997 237 F HN 0.069 nan 8.300 nan 0.000 0.479 238 F N 0.469 120.373 119.950 -0.077 0.000 2.063 238 F HA -0.294 4.233 4.527 -0.000 0.000 0.298 238 F C 1.859 177.397 175.800 -0.437 0.000 1.109 238 F CA 1.821 59.697 58.000 -0.206 0.000 1.212 238 F CB -0.763 38.207 39.000 -0.050 0.000 0.973 238 F HN -0.018 nan 8.300 nan 0.000 0.480 239 L N 0.778 121.691 121.223 -0.518 0.000 1.994 239 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 239 L C 2.424 178.665 176.870 -1.049 0.000 1.071 239 L CA 1.912 56.215 54.840 -0.896 0.000 0.745 239 L CB -1.524 40.105 42.059 -0.717 0.000 0.892 239 L HN 0.246 nan 8.230 nan 0.000 0.431 240 E N -1.244 118.632 120.200 -0.540 0.000 2.070 240 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 240 E C 1.988 178.435 176.600 -0.255 0.000 1.004 240 E CA 2.003 58.272 56.400 -0.219 0.000 0.805 240 E CB -0.162 29.487 29.700 -0.084 0.000 0.744 240 E HN 0.484 nan 8.360 nan 0.000 0.451 241 T N 1.441 115.686 114.554 -0.516 0.000 2.737 241 T HA -0.146 4.204 4.350 -0.000 0.000 0.265 241 T C 1.822 176.318 174.700 -0.340 0.000 1.038 241 T CA 0.830 62.658 62.100 -0.454 0.000 1.144 241 T CB -0.295 68.138 68.868 -0.725 0.000 0.866 241 T HN 0.028 nan 8.240 nan 0.000 0.434 242 L N 0.855 121.713 121.223 -0.608 0.000 1.990 242 L HA -0.102 4.238 4.340 -0.000 0.000 0.213 242 L C 1.994 178.739 176.870 -0.208 0.000 1.072 242 L CA 1.899 56.401 54.840 -0.564 0.000 0.755 242 L CB -1.016 40.504 42.059 -0.899 0.000 0.889 242 L HN 0.129 nan 8.230 nan 0.000 0.432 243 F N -1.247 118.540 119.950 -0.271 0.000 2.069 243 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 243 F C 2.551 178.233 175.800 -0.196 0.000 1.113 243 F CA 1.512 59.293 58.000 -0.365 0.000 1.214 243 F CB -1.684 36.886 39.000 -0.715 0.000 0.978 243 F HN 0.202 nan 8.300 nan 0.000 0.474 244 Y N 1.222 121.617 120.300 0.158 0.000 2.145 244 Y HA -0.192 4.358 4.550 -0.000 0.000 0.286 244 Y C 2.361 178.346 175.900 0.141 0.000 1.145 244 Y CA 1.821 60.081 58.100 0.268 0.000 1.148 244 Y CB -0.305 38.288 38.460 0.223 0.000 0.981 244 Y HN -0.043 nan 8.280 nan 0.000 0.507 245 E N -0.855 119.420 120.200 0.125 0.000 2.150 245 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 245 E C 1.950 178.608 176.600 0.096 0.000 0.985 245 E CA 1.076 57.504 56.400 0.045 0.000 0.814 245 E CB -0.731 28.977 29.700 0.014 0.000 0.752 245 E HN 0.578 nan 8.360 nan 0.000 0.466 246 Y N 1.034 121.287 120.300 -0.077 0.000 2.184 246 Y HA -0.021 4.529 4.550 -0.000 0.000 0.290 246 Y C 1.084 177.093 175.900 0.181 0.000 1.129 246 Y CA 0.356 58.433 58.100 -0.039 0.000 1.144 246 Y CB -0.265 38.165 38.460 -0.050 0.000 0.995 246 Y HN -0.014 nan 8.280 nan 0.000 0.513 247 M N 1.780 121.411 119.600 0.051 0.000 2.238 247 M HA 0.165 4.645 4.480 -0.000 0.000 0.350 247 M C -0.236 176.021 176.300 -0.072 0.000 1.321 247 M CA 0.283 55.499 55.300 -0.138 0.000 1.097 247 M CB 0.034 32.378 32.600 -0.426 0.000 1.713 247 M HN 0.303 nan 8.290 nan 0.000 0.455 248 T N 1.165 115.721 114.554 0.004 0.000 2.841 248 T HA 0.447 4.797 4.350 -0.000 0.000 0.283 248 T C -0.721 174.014 174.700 0.060 0.000 1.000 248 T CA -1.052 61.054 62.100 0.009 0.000 0.977 248 T CB 1.156 69.992 68.868 -0.053 0.000 0.979 248 T HN 0.620 nan 8.240 nan 0.000 0.446 249 D N 1.765 122.226 120.400 0.101 0.000 2.365 249 D HA 0.190 4.830 4.640 -0.000 0.000 0.237 249 D C 0.352 176.674 176.300 0.036 0.000 1.190 249 D CA -0.297 53.777 54.000 0.125 0.000 0.867 249 D CB 0.867 41.728 40.800 0.101 0.000 1.050 249 D HN 0.713 nan 8.370 nan 0.000 0.491 250 E N 2.688 122.885 120.200 -0.005 0.000 2.558 250 E HA 0.114 4.464 4.350 -0.000 0.000 0.205 250 E C 1.375 177.896 176.600 -0.131 0.000 1.006 250 E CA -0.195 56.180 56.400 -0.041 0.000 0.961 250 E CB 0.668 30.350 29.700 -0.031 0.000 1.044 250 E HN 0.358 nan 8.360 nan 0.000 0.465 251 R N -0.158 120.182 120.500 -0.267 0.000 2.120 251 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 251 R C 0.921 176.777 176.300 -0.740 0.000 1.123 251 R CA 1.210 56.964 56.100 -0.576 0.000 0.975 251 R CB -0.021 29.729 30.300 -0.915 0.000 0.866 251 R HN 0.153 nan 8.270 nan 0.000 0.446 252 F N 0.506 120.380 119.950 -0.127 0.000 2.664 252 F HA 0.191 4.718 4.527 -0.000 0.000 0.303 252 F C 0.441 176.203 175.800 -0.063 0.000 1.092 252 F CA -0.230 57.692 58.000 -0.130 0.000 1.305 252 F CB 0.358 39.254 39.000 -0.174 0.000 1.054 252 F HN -0.369 nan 8.300 nan 0.000 0.565 253 K N 1.302 121.720 120.400 0.030 0.000 2.174 253 K HA 0.321 4.641 4.320 -0.000 0.000 0.275 253 K C 0.540 177.144 176.600 0.006 0.000 1.015 253 K CA -0.094 56.208 56.287 0.024 0.000 0.933 253 K CB 1.480 33.982 32.500 0.002 0.000 1.025 253 K HN 0.146 nan 8.250 nan 0.000 0.463 263 Y N 0.788 121.059 120.300 -0.049 0.000 2.314 263 Y HA 0.508 5.058 4.550 -0.000 0.000 0.334 263 Y C 1.542 177.487 175.900 0.074 0.000 1.266 263 Y CA -0.439 57.645 58.100 -0.027 0.000 1.391 263 Y CB 0.798 39.135 38.460 -0.204 0.000 1.306 263 Y HN 0.429 nan 8.280 nan 0.000 0.558 264 I N -0.456 120.314 120.570 0.333 0.000 2.872 264 I HA 0.196 4.366 4.170 -0.000 0.000 0.291 264 I C 0.657 176.852 176.117 0.129 0.000 1.216 264 I CA 0.140 61.565 61.300 0.209 0.000 1.424 264 I CB 0.444 38.552 38.000 0.179 0.000 1.351 264 I HN 0.747 nan 8.210 nan 0.000 0.592 265 K N 4.515 124.941 120.400 0.044 0.000 2.373 265 K HA 0.249 4.569 4.320 -0.000 0.000 0.200 265 K C 0.326 176.653 176.600 -0.455 0.000 1.054 265 K CA 0.227 56.419 56.287 -0.159 0.000 1.065 265 K CB -0.216 32.190 32.500 -0.157 0.000 0.886 265 K HN 0.850 nan 8.250 nan 0.000 0.546 266 H N -1.074 118.034 119.070 0.063 0.000 2.771 266 H HA 0.536 5.092 4.556 -0.000 0.000 0.361 266 H C -1.816 173.552 175.328 0.067 0.000 1.108 266 H CA -1.198 54.886 56.048 0.060 0.000 1.201 266 H CB 1.938 31.737 29.762 0.062 0.000 1.681 266 H HN 0.120 nan 8.280 nan 0.000 0.534 267 L N 1.904 123.235 121.223 0.180 0.000 2.372 267 L HA 0.570 4.910 4.340 -0.000 0.000 0.274 267 L C -0.253 176.685 176.870 0.114 0.000 0.988 267 L CA -0.206 54.718 54.840 0.139 0.000 0.833 267 L CB 1.546 43.693 42.059 0.145 0.000 1.236 267 L HN 0.773 nan 8.230 nan 0.000 0.410 268 G N 4.203 113.070 108.800 0.111 0.000 2.356 268 G HA2 0.611 4.571 3.960 -0.000 0.000 0.322 268 G HA3 0.611 4.571 3.960 -0.000 0.000 0.322 268 G C -1.486 173.436 174.900 0.036 0.000 1.125 268 G CA -0.464 44.671 45.100 0.058 0.000 0.885 268 G HN 0.469 nan 8.290 nan 0.000 0.467 269 V N 2.342 122.197 119.914 -0.098 0.000 2.487 269 V HA 0.352 4.472 4.120 -0.000 0.000 0.298 269 V C -1.250 174.779 176.094 -0.108 0.000 1.028 269 V CA -0.762 61.551 62.300 0.021 0.000 0.860 269 V CB 1.378 33.275 31.823 0.123 0.000 0.991 269 V HN 0.693 nan 8.190 nan 0.000 0.427 270 Y N 4.825 125.200 120.300 0.125 0.000 2.356 270 Y HA 0.509 5.058 4.550 -0.000 0.000 0.334 270 Y C 0.554 176.489 175.900 0.058 0.000 0.958 270 Y CA -0.079 58.083 58.100 0.103 0.000 1.196 270 Y CB 1.827 40.343 38.460 0.093 0.000 1.137 270 Y HN 0.661 nan 8.280 nan 0.000 0.485 271 I N 1.713 122.306 120.570 0.039 0.000 3.534 271 I HA 0.320 4.489 4.170 -0.000 0.000 0.251 271 I C -0.516 175.542 176.117 -0.099 0.000 1.136 271 I CA 0.343 61.537 61.300 -0.176 0.000 1.475 271 I CB 0.721 38.261 38.000 -0.768 0.000 1.526 271 I HN 0.662 nan 8.210 nan 0.000 0.454 272 N N 2.034 120.698 118.700 -0.059 0.000 4.327 272 N HA -0.144 4.596 4.740 -0.000 0.000 0.232 272 N C -1.033 174.507 175.510 0.050 0.000 2.198 272 N CA 0.349 53.404 53.050 0.008 0.000 2.713 272 N CB -0.910 37.584 38.487 0.012 0.000 0.392 272 N HN 0.418 nan 8.380 nan 0.000 0.555 273 N N 0.538 119.275 118.700 0.061 0.000 2.735 273 N HA -0.188 4.552 4.740 -0.000 0.000 0.248 273 N C 1.132 176.702 175.510 0.100 0.000 1.083 273 N CA 1.251 54.342 53.050 0.067 0.000 0.703 273 N CB -1.157 37.371 38.487 0.068 0.000 1.005 273 N HN 0.764 nan 8.380 nan 0.000 0.550 274 A N -0.280 122.570 122.820 0.050 0.000 2.009 274 A HA -0.240 4.080 4.320 -0.000 0.000 0.222 274 A C 2.154 179.748 177.584 0.017 0.000 1.175 274 A CA 2.947 54.987 52.037 0.006 0.000 0.651 274 A CB -1.006 17.963 19.000 -0.051 0.000 0.815 274 A HN 0.716 nan 8.150 nan 0.000 0.459 275 D N -1.513 118.883 120.400 -0.006 0.000 2.178 275 D HA -0.097 4.543 4.640 -0.000 0.000 0.201 275 D C 1.878 178.126 176.300 -0.086 0.000 0.980 275 D CA 1.879 55.857 54.000 -0.037 0.000 0.842 275 D CB -1.303 39.481 40.800 -0.028 0.000 0.948 275 D HN 0.501 nan 8.370 nan 0.000 0.472 276 T N -0.924 113.541 114.554 -0.149 0.000 2.897 276 T HA -0.063 4.287 4.350 -0.000 0.000 0.271 276 T C 1.224 175.623 174.700 -0.501 0.000 1.084 276 T CA 1.194 63.086 62.100 -0.346 0.000 1.123 276 T CB -0.346 68.210 68.868 -0.521 0.000 0.865 276 T HN 0.738 nan 8.240 nan 0.000 0.496 277 Y N 0.448 120.590 120.300 -0.264 0.000 2.481 277 Y HA 0.284 4.834 4.550 -0.000 0.000 0.258 277 Y C 2.546 178.344 175.900 -0.170 0.000 1.103 277 Y CA 0.167 58.043 58.100 -0.374 0.000 1.287 277 Y CB -0.315 37.572 38.460 -0.955 0.000 1.108 277 Y HN 0.110 nan 8.280 nan 0.000 0.529 278 K N 1.140 121.541 120.400 0.002 0.000 2.103 278 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 278 K C 1.860 178.490 176.600 0.050 0.000 1.048 278 K CA 1.948 58.251 56.287 0.026 0.000 0.930 278 K CB -1.619 30.872 32.500 -0.014 0.000 0.716 278 K HN 0.516 nan 8.250 nan 0.000 0.444 279 E N 1.577 121.787 120.200 0.017 0.000 2.209 279 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 279 E C 1.904 178.528 176.600 0.040 0.000 0.993 279 E CA 1.347 57.754 56.400 0.012 0.000 0.819 279 E CB -0.441 29.246 29.700 -0.022 0.000 0.745 279 E HN 0.751 nan 8.360 nan 0.000 0.477 280 E N -0.145 120.119 120.200 0.106 0.000 2.358 280 E HA 0.014 4.364 4.350 -0.000 0.000 0.195 280 E C 2.208 178.881 176.600 0.122 0.000 1.010 280 E CA 0.687 57.169 56.400 0.136 0.000 0.856 280 E CB 0.180 30.077 29.700 0.327 0.000 0.795 280 E HN 0.472 nan 8.360 nan 0.000 0.504 281 V N 1.655 121.660 119.914 0.152 0.000 2.270 281 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 281 V C 2.167 178.336 176.094 0.126 0.000 1.043 281 V CA 1.572 63.960 62.300 0.146 0.000 1.014 281 V CB -0.204 31.708 31.823 0.150 0.000 0.645 281 V HN 0.128 nan 8.190 nan 0.000 0.447 282 E N -0.070 120.185 120.200 0.091 0.000 2.152 282 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 282 E C 2.118 178.760 176.600 0.070 0.000 0.983 282 E CA 0.776 57.229 56.400 0.089 0.000 0.818 282 E CB -0.224 29.514 29.700 0.064 0.000 0.758 282 E HN 0.537 nan 8.360 nan 0.000 0.467 283 K N 0.801 121.199 120.400 -0.004 0.000 2.057 283 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 283 K C 2.054 178.577 176.600 -0.129 0.000 1.049 283 K CA 1.229 57.435 56.287 -0.136 0.000 0.931 283 K CB -0.049 32.299 32.500 -0.254 0.000 0.714 283 K HN 0.059 nan 8.250 nan 0.000 0.440 284 A N 1.364 124.171 122.820 -0.021 0.000 1.883 284 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 284 A C 2.114 179.900 177.584 0.337 0.000 1.186 284 A CA 1.929 54.016 52.037 0.084 0.000 0.624 284 A CB -0.595 18.412 19.000 0.010 0.000 0.822 284 A HN 0.402 nan 8.150 nan 0.000 0.444 285 R N -0.611 120.111 120.500 0.369 0.000 2.075 285 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 285 R C 1.862 178.450 176.300 0.480 0.000 1.126 285 R CA 1.714 58.062 56.100 0.413 0.000 0.963 285 R CB -0.492 29.931 30.300 0.204 0.000 0.858 285 R HN 0.265 nan 8.270 nan 0.000 0.435 286 V N 0.073 120.237 119.914 0.417 0.000 2.307 286 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 286 V C 1.935 178.419 176.094 0.649 0.000 1.045 286 V CA 1.593 64.216 62.300 0.538 0.000 1.024 286 V CB -0.676 31.355 31.823 0.347 0.000 0.651 286 V HN 0.319 nan 8.190 nan 0.000 0.449 287 Y N -0.269 120.199 120.300 0.280 0.000 2.224 287 Y HA -0.244 4.306 4.550 -0.000 0.000 0.289 287 Y C 2.489 178.510 175.900 0.201 0.000 1.146 287 Y CA 1.213 59.436 58.100 0.205 0.000 1.182 287 Y CB -1.286 37.261 38.460 0.144 0.000 0.983 287 Y HN 0.489 nan 8.280 nan 0.000 0.524 288 Y N -0.574 119.957 120.300 0.385 0.000 2.207 288 Y HA -0.297 4.253 4.550 -0.000 0.000 0.287 288 Y C 2.186 178.286 175.900 0.334 0.000 1.156 288 Y CA 1.574 59.872 58.100 0.330 0.000 1.182 288 Y CB -1.014 37.687 38.460 0.402 0.000 0.979 288 Y HN 0.062 nan 8.280 nan 0.000 0.521 289 F N 0.677 120.473 119.950 -0.257 0.000 2.317 289 F HA 0.205 4.732 4.527 -0.000 0.000 0.293 289 F C 2.365 177.999 175.800 -0.278 0.000 1.085 289 F CA 1.123 58.805 58.000 -0.531 0.000 1.390 289 F CB -0.728 38.094 39.000 -0.297 0.000 1.077 289 F HN 0.055 nan 8.300 nan 0.000 0.517 290 G N -0.231 108.556 108.800 -0.022 0.000 2.476 290 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 290 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 290 G C 1.612 176.425 174.900 -0.144 0.000 1.164 290 G CA 1.666 46.771 45.100 0.008 0.000 0.768 290 G HN 0.387 nan 8.290 nan 0.000 0.560 291 T N -0.647 113.826 114.554 -0.135 0.000 2.812 291 T HA -0.077 4.273 4.350 -0.000 0.000 0.264 291 T C 2.005 176.661 174.700 -0.072 0.000 1.042 291 T CA 1.133 63.145 62.100 -0.147 0.000 1.140 291 T CB -0.272 68.466 68.868 -0.216 0.000 0.870 291 T HN 0.318 nan 8.240 nan 0.000 0.445 292 Y N 0.721 120.899 120.300 -0.203 0.000 2.200 292 Y HA -0.118 4.432 4.550 -0.000 0.000 0.290 292 Y C 2.230 177.901 175.900 -0.382 0.000 1.137 292 Y CA 0.657 58.664 58.100 -0.156 0.000 1.163 292 Y CB -0.555 37.699 38.460 -0.344 0.000 0.988 292 Y HN 0.272 nan 8.280 nan 0.000 0.518 293 Y N 0.260 120.013 120.300 -0.913 0.000 2.128 293 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 293 Y C 2.428 178.044 175.900 -0.474 0.000 1.154 293 Y CA 1.931 59.513 58.100 -0.862 0.000 1.149 293 Y CB -0.824 37.011 38.460 -1.042 0.000 0.976 293 Y HN 0.137 nan 8.280 nan 0.000 0.505 294 A N -0.988 121.637 122.820 -0.325 0.000 1.902 294 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 294 A C 2.498 179.926 177.584 -0.261 0.000 1.181 294 A CA 1.933 53.821 52.037 -0.250 0.000 0.623 294 A CB -1.438 17.507 19.000 -0.093 0.000 0.818 294 A HN 0.521 nan 8.150 nan 0.000 0.443 295 S N -0.641 114.924 115.700 -0.225 0.000 2.382 295 S HA -0.239 4.231 4.470 -0.000 0.000 0.228 295 S C 2.102 176.517 174.600 -0.308 0.000 1.027 295 S CA 1.687 59.786 58.200 -0.168 0.000 0.991 295 S CB -0.443 62.766 63.200 0.015 0.000 0.823 295 S HN 0.668 nan 8.310 nan 0.000 0.469 296 Q N 0.277 119.747 119.800 -0.549 0.000 2.084 296 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 296 Q C 2.282 178.088 176.000 -0.323 0.000 0.978 296 Q CA 1.669 57.177 55.803 -0.492 0.000 0.844 296 Q CB -0.346 28.017 28.738 -0.624 0.000 0.898 296 Q HN 0.554 nan 8.270 nan 0.000 0.426 297 L N 0.104 121.086 121.223 -0.401 0.000 2.056 297 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 297 L C 2.328 179.133 176.870 -0.108 0.000 1.078 297 L CA 0.959 55.640 54.840 -0.264 0.000 0.749 297 L CB -0.434 41.437 42.059 -0.314 0.000 0.901 297 L HN 0.235 nan 8.230 nan 0.000 0.433 298 I N 0.109 120.638 120.570 -0.069 0.000 2.179 298 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 298 I C 2.781 178.976 176.117 0.131 0.000 1.088 298 I CA 1.259 62.600 61.300 0.068 0.000 1.357 298 I CB -0.466 37.614 38.000 0.133 0.000 1.051 298 I HN 0.187 nan 8.210 nan 0.000 0.409 299 A N 0.885 123.764 122.820 0.097 0.000 1.968 299 A HA 0.175 4.495 4.320 -0.000 0.000 0.217 299 A C 1.614 179.202 177.584 0.007 0.000 1.169 299 A CA 0.726 52.840 52.037 0.129 0.000 0.638 299 A CB -0.670 18.372 19.000 0.070 0.000 0.812 299 A HN 0.345 nan 8.150 nan 0.000 0.446 300 A N 1.565 124.381 122.820 -0.007 0.000 2.545 300 A HA 0.445 4.765 4.320 -0.000 0.000 0.253 300 A C -1.950 175.564 177.584 -0.117 0.000 1.074 300 A CA -0.823 51.172 52.037 -0.069 0.000 0.760 300 A CB -0.324 18.712 19.000 0.059 0.000 1.005 300 A HN 0.365 nan 8.150 nan 0.000 0.506 301 P HA 0.175 nan 4.420 nan 0.000 0.277 301 P C 0.716 178.013 177.300 -0.006 0.000 1.276 301 P CA -0.319 62.716 63.100 -0.108 0.000 0.788 301 P CB 0.626 32.228 31.700 -0.162 0.000 1.114 302 S N -0.135 115.551 115.700 -0.023 0.000 2.453 302 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 302 S C 1.546 176.102 174.600 -0.073 0.000 1.005 302 S CA 0.810 58.995 58.200 -0.024 0.000 0.949 302 S CB -0.868 62.320 63.200 -0.021 0.000 0.774 302 S HN 0.625 nan 8.310 nan 0.000 0.510 303 N N 0.676 119.336 118.700 -0.066 0.000 2.331 303 N HA -0.118 4.622 4.740 -0.000 0.000 0.180 303 N C 1.180 176.591 175.510 -0.165 0.000 1.019 303 N CA 1.154 54.143 53.050 -0.101 0.000 0.881 303 N CB -0.598 37.812 38.487 -0.128 0.000 0.972 303 N HN 0.456 nan 8.380 nan 0.000 0.435 304 Y N 0.369 120.629 120.300 -0.066 0.000 2.301 304 Y HA 0.171 4.721 4.550 -0.000 0.000 0.295 304 Y C 1.129 176.996 175.900 -0.055 0.000 1.119 304 Y CA 0.410 58.502 58.100 -0.014 0.000 1.162 304 Y CB 0.072 38.578 38.460 0.077 0.000 1.046 304 Y HN 0.145 nan 8.280 nan 0.000 0.538 305 C N 2.961 122.306 119.300 0.075 0.000 2.242 305 C HA 0.490 4.950 4.460 -0.000 0.000 0.317 305 C C -0.404 174.520 174.990 -0.110 0.000 1.087 305 C CA -0.937 58.078 59.018 -0.006 0.000 1.535 305 C CB -2.515 25.234 27.740 0.015 0.000 1.893 305 C HN 0.544 nan 8.230 nan 0.000 0.426 306 N N 4.022 122.581 118.700 -0.234 0.000 2.653 306 N HA 0.677 5.417 4.740 -0.000 0.000 0.294 306 N C -2.547 172.803 175.510 -0.266 0.000 1.305 306 N CA -1.714 51.076 53.050 -0.433 0.000 0.827 306 N CB 0.628 38.404 38.487 -1.185 0.000 1.415 306 N HN 0.032 nan 8.380 nan 0.000 0.546 307 P HA -0.063 nan 4.420 nan 0.000 0.218 307 P C 1.036 178.330 177.300 -0.010 0.000 1.149 307 P CA 0.708 63.785 63.100 -0.038 0.000 0.817 307 P CB 0.208 31.941 31.700 0.055 0.000 0.785 308 V N 0.380 120.281 119.914 -0.022 0.000 2.283 308 V HA -0.213 3.907 4.120 -0.000 0.000 0.243 308 V C 2.590 178.687 176.094 0.005 0.000 1.039 308 V CA 2.448 64.766 62.300 0.029 0.000 1.016 308 V CB -1.745 30.130 31.823 0.086 0.000 0.650 308 V HN 0.251 nan 8.190 nan 0.000 0.449 309 S N 0.100 115.777 115.700 -0.038 0.000 2.382 309 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 309 S C 2.065 176.664 174.600 -0.002 0.000 1.027 309 S CA 1.634 59.827 58.200 -0.012 0.000 0.991 309 S CB -0.646 62.541 63.200 -0.022 0.000 0.823 309 S HN 0.485 nan 8.310 nan 0.000 0.469 310 L N 1.922 123.133 121.223 -0.021 0.000 2.056 310 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 310 L C 2.902 179.782 176.870 0.017 0.000 1.078 310 L CA 1.679 56.514 54.840 -0.008 0.000 0.749 310 L CB -0.635 41.410 42.059 -0.023 0.000 0.901 310 L HN 0.644 nan 8.230 nan 0.000 0.433 311 S N -0.641 115.074 115.700 0.025 0.000 2.383 311 S HA -0.163 4.307 4.470 -0.000 0.000 0.227 311 S C 1.675 176.300 174.600 0.042 0.000 1.026 311 S CA 1.147 59.375 58.200 0.046 0.000 0.981 311 S CB -0.580 62.661 63.200 0.069 0.000 0.818 311 S HN 0.458 nan 8.310 nan 0.000 0.472 312 N N 2.905 121.626 118.700 0.035 0.000 2.104 312 N HA 0.029 4.769 4.740 -0.000 0.000 0.190 312 N C 1.979 177.504 175.510 0.025 0.000 1.024 312 N CA 1.583 54.648 53.050 0.026 0.000 0.853 312 N CB -1.044 37.462 38.487 0.032 0.000 1.008 312 N HN 0.627 nan 8.380 nan 0.000 0.424 313 A N 0.845 123.694 122.820 0.048 0.000 1.902 313 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 313 A C 2.352 180.004 177.584 0.113 0.000 1.181 313 A CA 1.988 54.081 52.037 0.092 0.000 0.623 313 A CB -0.843 18.204 19.000 0.079 0.000 0.818 313 A HN 0.326 nan 8.150 nan 0.000 0.443 314 A N -0.709 122.158 122.820 0.079 0.000 1.898 314 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 314 A C 2.228 179.806 177.584 -0.011 0.000 1.181 314 A CA 1.690 53.769 52.037 0.070 0.000 0.620 314 A CB -0.853 18.188 19.000 0.069 0.000 0.819 314 A HN 0.366 nan 8.150 nan 0.000 0.442 315 V N 0.067 119.934 119.914 -0.078 0.000 2.343 315 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 315 V C 2.537 178.434 176.094 -0.328 0.000 1.051 315 V CA 2.318 64.424 62.300 -0.322 0.000 1.036 315 V CB -0.666 30.972 31.823 -0.308 0.000 0.654 315 V HN 0.802 nan 8.190 nan 0.000 0.451 316 E N -0.068 120.050 120.200 -0.137 0.000 2.085 316 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 316 E C 2.178 178.742 176.600 -0.060 0.000 0.994 316 E CA 1.655 58.006 56.400 -0.081 0.000 0.801 316 E CB -0.155 29.562 29.700 0.028 0.000 0.743 316 E HN 0.468 nan 8.360 nan 0.000 0.453 317 L N 0.731 121.957 121.223 0.005 0.000 2.046 317 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 317 L C 2.278 179.119 176.870 -0.048 0.000 1.077 317 L CA 2.152 56.994 54.840 0.003 0.000 0.747 317 L CB -0.643 41.426 42.059 0.017 0.000 0.896 317 L HN 0.184 nan 8.230 nan 0.000 0.432 318 A N -1.006 121.775 122.820 -0.065 0.000 1.902 318 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 318 A C 2.203 179.790 177.584 0.005 0.000 1.181 318 A CA 1.924 53.953 52.037 -0.014 0.000 0.623 318 A CB -0.623 18.404 19.000 0.045 0.000 0.818 318 A HN 0.663 nan 8.150 nan 0.000 0.443 319 Q N -0.442 119.301 119.800 -0.096 0.000 2.124 319 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 319 Q C 1.993 177.972 176.000 -0.036 0.000 0.977 319 Q CA 1.681 57.459 55.803 -0.042 0.000 0.850 319 Q CB -0.172 28.501 28.738 -0.108 0.000 0.901 319 Q HN 0.639 nan 8.270 nan 0.000 0.429 320 K N 0.137 120.490 120.400 -0.079 0.000 2.211 320 K HA -0.051 4.269 4.320 -0.000 0.000 0.203 320 K C 1.441 178.004 176.600 -0.062 0.000 1.050 320 K CA 0.740 56.965 56.287 -0.104 0.000 0.945 320 K CB 0.201 32.586 32.500 -0.192 0.000 0.732 320 K HN 0.177 nan 8.250 nan 0.000 0.451 321 L N 0.085 121.290 121.223 -0.031 0.000 2.693 321 L HA 0.131 4.471 4.340 -0.000 0.000 0.235 321 L C -0.539 176.343 176.870 0.021 0.000 1.127 321 L CA -0.111 54.717 54.840 -0.019 0.000 0.914 321 L CB -0.217 41.821 42.059 -0.035 0.000 1.193 321 L HN 0.225 nan 8.230 nan 0.000 0.502 322 N N 0.364 119.087 118.700 0.038 0.000 2.721 322 N HA -0.192 4.548 4.740 -0.000 0.000 0.249 322 N C -0.470 175.099 175.510 0.098 0.000 1.072 322 N CA 0.180 53.271 53.050 0.068 0.000 0.710 322 N CB -1.231 37.284 38.487 0.046 0.000 0.993 322 N HN 0.249 nan 8.380 nan 0.000 0.547 323 L N 0.201 121.500 121.223 0.126 0.000 2.421 323 L HA 0.289 4.629 4.340 -0.000 0.000 0.263 323 L C 1.110 178.092 176.870 0.186 0.000 1.122 323 L CA -0.503 54.431 54.840 0.156 0.000 0.804 323 L CB 0.764 42.908 42.059 0.143 0.000 1.150 323 L HN 0.202 nan 8.230 nan 0.000 0.457 324 E N 0.772 121.050 120.200 0.130 0.000 2.392 324 E HA 0.166 4.516 4.350 -0.000 0.000 0.264 324 E C -1.605 175.083 176.600 0.146 0.000 1.024 324 E CA 0.033 56.466 56.400 0.055 0.000 0.903 324 E CB 0.614 30.323 29.700 0.015 0.000 0.963 324 E HN 0.379 nan 8.360 nan 0.000 0.432 325 Y N 0.731 121.058 120.300 0.046 0.000 2.571 325 Y HA 0.571 5.121 4.550 -0.000 0.000 0.341 325 Y C -1.305 174.626 175.900 0.052 0.000 1.076 325 Y CA -1.354 56.787 58.100 0.068 0.000 1.029 325 Y CB 1.107 39.611 38.460 0.074 0.000 1.308 325 Y HN 0.391 nan 8.280 nan 0.000 0.461 326 K N 3.411 123.934 120.400 0.206 0.000 2.543 326 K HA 0.632 4.952 4.320 -0.000 0.000 0.255 326 K C -2.325 174.444 176.600 0.282 0.000 0.934 326 K CA -0.706 55.685 56.287 0.173 0.000 0.810 326 K CB 1.908 34.439 32.500 0.052 0.000 1.315 326 K HN 0.742 nan 8.250 nan 0.000 0.433 327 I N 4.669 125.394 120.570 0.260 0.000 2.389 327 I HA 0.299 4.469 4.170 -0.000 0.000 0.288 327 I C -0.748 175.502 176.117 0.221 0.000 0.999 327 I CA -0.912 60.536 61.300 0.246 0.000 1.129 327 I CB 1.009 39.131 38.000 0.202 0.000 1.288 327 I HN 0.606 nan 8.210 nan 0.000 0.444 328 L N 5.663 127.041 121.223 0.257 0.000 2.292 328 L HA 0.635 4.975 4.340 -0.000 0.000 0.284 328 L C 0.954 177.934 176.870 0.184 0.000 1.065 328 L CA 0.267 55.222 54.840 0.192 0.000 0.806 328 L CB 1.302 43.444 42.059 0.140 0.000 1.175 328 L HN 0.718 nan 8.230 nan 0.000 0.431 329 G N 1.826 110.701 108.800 0.126 0.000 2.568 329 G HA2 0.442 4.402 3.960 -0.000 0.000 0.293 329 G HA3 0.442 4.402 3.960 -0.000 0.000 0.293 329 G C 0.860 175.798 174.900 0.064 0.000 1.347 329 G CA -0.552 44.608 45.100 0.099 0.000 1.039 329 G HN 0.357 nan 8.290 nan 0.000 0.523 330 V N 0.846 120.779 119.914 0.031 0.000 2.343 330 V HA -0.124 3.996 4.120 -0.000 0.000 0.247 330 V C 3.453 179.549 176.094 0.003 0.000 1.051 330 V CA 3.087 65.382 62.300 -0.008 0.000 1.036 330 V CB -1.033 30.776 31.823 -0.024 0.000 0.654 330 V HN 0.889 nan 8.190 nan 0.000 0.451 331 K N -0.186 120.225 120.400 0.017 0.000 2.097 331 K HA -0.219 4.101 4.320 -0.000 0.000 0.206 331 K C 1.907 178.521 176.600 0.022 0.000 1.049 331 K CA 1.770 58.068 56.287 0.017 0.000 0.933 331 K CB -0.636 31.876 32.500 0.021 0.000 0.717 331 K HN 0.692 nan 8.250 nan 0.000 0.442 332 E N 0.140 120.360 120.200 0.034 0.000 2.107 332 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 332 E C 2.174 178.792 176.600 0.030 0.000 0.982 332 E CA 0.982 57.405 56.400 0.038 0.000 0.809 332 E CB -0.184 29.550 29.700 0.056 0.000 0.756 332 E HN 0.487 nan 8.360 nan 0.000 0.459 333 L N 0.991 122.231 121.223 0.028 0.000 2.083 333 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 333 L C 2.348 179.227 176.870 0.014 0.000 1.083 333 L CA 1.185 56.040 54.840 0.025 0.000 0.752 333 L CB -0.274 41.797 42.059 0.020 0.000 0.899 333 L HN 0.106 nan 8.230 nan 0.000 0.433 334 E N 0.036 120.237 120.200 0.003 0.000 2.051 334 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 334 E C 2.100 178.707 176.600 0.012 0.000 0.991 334 E CA 1.287 57.688 56.400 0.002 0.000 0.799 334 E CB 0.009 29.708 29.700 -0.002 0.000 0.748 334 E HN 0.495 nan 8.360 nan 0.000 0.449 335 E N 0.405 120.614 120.200 0.016 0.000 2.153 335 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 335 E C 1.833 178.445 176.600 0.020 0.000 0.988 335 E CA 0.664 57.075 56.400 0.017 0.000 0.811 335 E CB 0.015 29.727 29.700 0.019 0.000 0.746 335 E HN 0.237 nan 8.360 nan 0.000 0.466 336 L N 0.404 121.641 121.223 0.024 0.000 2.610 336 L HA 0.020 4.360 4.340 -0.000 0.000 0.232 336 L C 0.244 177.133 176.870 0.032 0.000 1.149 336 L CA 0.266 55.123 54.840 0.028 0.000 0.872 336 L CB -0.177 41.903 42.059 0.036 0.000 0.992 336 L HN 0.050 nan 8.230 nan 0.000 0.447 337 K N -0.169 120.249 120.400 0.030 0.000 3.071 337 K HA -0.202 4.118 4.320 -0.000 0.000 0.265 337 K C 0.103 176.732 176.600 0.048 0.000 1.060 337 K CA 0.534 56.841 56.287 0.034 0.000 0.767 337 K CB -1.429 31.091 32.500 0.032 0.000 1.241 337 K HN 0.332 nan 8.250 nan 0.000 0.486 338 M N 0.537 120.170 119.600 0.056 0.000 3.706 338 M HA 0.024 4.504 4.480 -0.000 0.000 0.204 338 M C 1.668 178.014 176.300 0.076 0.000 1.455 338 M CA 0.480 55.835 55.300 0.091 0.000 1.659 338 M CB 0.133 32.825 32.600 0.153 0.000 1.076 338 M HN 0.415 nan 8.290 nan 0.000 0.577 339 G N 0.283 109.117 108.800 0.057 0.000 2.471 339 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.219 339 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.219 339 G C 1.461 176.384 174.900 0.039 0.000 1.125 339 G CA 0.953 46.075 45.100 0.037 0.000 0.775 339 G HN 0.650 nan 8.290 nan 0.000 0.548 340 A N 0.336 123.195 122.820 0.066 0.000 1.854 340 A HA 0.035 4.355 4.320 -0.000 0.000 0.214 340 A C 2.178 179.799 177.584 0.062 0.000 1.192 340 A CA 1.538 53.610 52.037 0.058 0.000 0.611 340 A CB -0.754 18.276 19.000 0.049 0.000 0.832 340 A HN 0.370 nan 8.150 nan 0.000 0.442 341 Y N 0.808 121.079 120.300 -0.048 0.000 2.165 341 Y HA -0.168 4.382 4.550 -0.000 0.000 0.286 341 Y C 1.860 177.720 175.900 -0.067 0.000 1.155 341 Y CA 1.719 59.793 58.100 -0.044 0.000 1.164 341 Y CB -0.583 37.885 38.460 0.014 0.000 0.978 341 Y HN 0.204 nan 8.280 nan 0.000 0.513 342 L N -1.143 119.977 121.223 -0.172 0.000 2.156 342 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 342 L C 2.535 179.268 176.870 -0.228 0.000 1.095 342 L CA 1.170 55.826 54.840 -0.306 0.000 0.770 342 L CB -0.614 41.326 42.059 -0.197 0.000 0.914 342 L HN 0.066 nan 8.230 nan 0.000 0.439 343 S N -0.450 115.133 115.700 -0.196 0.000 2.382 343 S HA -0.145 4.325 4.470 -0.000 0.000 0.228 343 S C 2.026 176.272 174.600 -0.590 0.000 1.027 343 S CA 1.125 59.163 58.200 -0.269 0.000 0.991 343 S CB -0.117 62.968 63.200 -0.191 0.000 0.823 343 S HN 0.172 nan 8.310 nan 0.000 0.469 344 V N 1.204 120.741 119.914 -0.629 0.000 2.407 344 V HA -0.113 4.007 4.120 -0.000 0.000 0.248 344 V C 2.465 178.382 176.094 -0.295 0.000 1.055 344 V CA 1.882 63.782 62.300 -0.667 0.000 1.049 344 V CB -1.198 30.459 31.823 -0.277 0.000 0.662 344 V HN 0.586 nan 8.190 nan 0.000 0.455 345 G N -0.838 107.835 108.800 -0.211 0.000 2.650 345 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.214 345 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.214 345 G C 1.530 176.384 174.900 -0.077 0.000 1.136 345 G CA 0.161 45.191 45.100 -0.115 0.000 0.789 345 G HN 0.453 nan 8.290 nan 0.000 0.536 346 K N 0.168 120.514 120.400 -0.090 0.000 2.074 346 K HA -0.098 4.222 4.320 -0.000 0.000 0.209 346 K C 2.424 179.036 176.600 0.020 0.000 1.048 346 K CA 1.243 57.514 56.287 -0.026 0.000 0.926 346 K CB -0.205 32.299 32.500 0.007 0.000 0.713 346 K HN 0.260 nan 8.250 nan 0.000 0.444 347 G N 0.184 109.017 108.800 0.055 0.000 2.985 347 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.209 347 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.209 347 G C 0.136 175.059 174.900 0.039 0.000 1.165 347 G CA -0.237 44.903 45.100 0.068 0.000 0.776 347 G HN 0.136 nan 8.290 nan 0.000 0.541 348 S N 0.153 115.873 115.700 0.034 0.000 2.586 348 S HA 0.350 4.820 4.470 -0.000 0.000 0.274 348 S C 1.675 176.244 174.600 -0.051 0.000 1.281 348 S CA -0.632 57.591 58.200 0.038 0.000 1.035 348 S CB 0.773 64.044 63.200 0.118 0.000 0.962 348 S HN 0.309 nan 8.310 nan 0.000 0.512 349 M N 2.990 122.473 119.600 -0.194 0.000 2.619 349 M HA 0.212 4.692 4.480 -0.000 0.000 0.251 349 M C -1.004 175.056 176.300 -0.400 0.000 1.106 349 M CA 0.597 55.694 55.300 -0.340 0.000 1.086 349 M CB -0.362 31.949 32.600 -0.483 0.000 1.465 349 M HN 0.503 nan 8.290 nan 0.000 0.506 350 Y N 1.683 121.984 120.300 0.002 0.000 2.331 350 Y HA 0.559 5.109 4.550 -0.000 0.000 0.338 350 Y C -2.343 173.556 175.900 -0.001 0.000 0.992 350 Y CA -2.795 55.308 58.100 0.005 0.000 1.121 350 Y CB 0.455 38.925 38.460 0.016 0.000 1.184 350 Y HN -0.002 nan 8.280 nan 0.000 0.469 351 P HA 0.011 nan 4.420 nan 0.000 0.268 351 P C -0.732 176.609 177.300 0.068 0.000 1.205 351 P CA -0.183 62.956 63.100 0.064 0.000 0.771 351 P CB 0.570 32.304 31.700 0.057 0.000 0.858 352 N N 2.661 121.355 118.700 -0.010 0.000 2.454 352 N HA 0.089 4.829 4.740 -0.000 0.000 0.254 352 N C -0.073 175.495 175.510 0.096 0.000 1.228 352 N CA 0.555 53.591 53.050 -0.023 0.000 0.900 352 N CB 0.100 38.364 38.487 -0.371 0.000 1.089 352 N HN 0.202 nan 8.380 nan 0.000 0.449 353 K N 1.748 122.272 120.400 0.206 0.000 2.471 353 K HA 0.314 4.634 4.320 -0.000 0.000 0.252 353 K C -1.246 175.541 176.600 0.313 0.000 0.938 353 K CA -0.536 55.887 56.287 0.226 0.000 0.796 353 K CB 1.690 34.279 32.500 0.147 0.000 1.161 353 K HN 0.424 nan 8.250 nan 0.000 0.425 354 F N 3.850 123.901 119.950 0.170 0.000 2.404 354 F HA 0.480 5.007 4.527 -0.000 0.000 0.354 354 F C -0.231 175.598 175.800 0.048 0.000 1.122 354 F CA -0.938 57.104 58.000 0.070 0.000 1.080 354 F CB 0.647 39.653 39.000 0.011 0.000 1.131 354 F HN 0.402 nan 8.300 nan 0.000 0.471 355 I N 6.044 126.474 120.570 -0.233 0.000 2.353 355 I HA 0.247 4.417 4.170 -0.000 0.000 0.293 355 I C -0.732 175.423 176.117 0.064 0.000 0.992 355 I CA -0.432 60.864 61.300 -0.007 0.000 1.268 355 I CB 1.217 39.195 38.000 -0.037 0.000 1.387 355 I HN 0.627 nan 8.210 nan 0.000 0.478 356 H N 6.661 125.847 119.070 0.193 0.000 3.177 356 H HA 0.425 4.981 4.556 -0.000 0.000 0.314 356 H C -1.696 173.830 175.328 0.330 0.000 1.059 356 H CA -0.896 55.335 56.048 0.304 0.000 1.515 356 H CB 0.922 30.949 29.762 0.442 0.000 1.672 356 H HN 0.333 nan 8.280 nan 0.000 0.514 357 L N 3.587 125.178 121.223 0.612 0.000 2.334 357 L HA 0.510 4.850 4.340 -0.000 0.000 0.272 357 L C 0.124 177.366 176.870 0.621 0.000 1.020 357 L CA -0.431 54.702 54.840 0.488 0.000 0.812 357 L CB 1.923 44.191 42.059 0.348 0.000 1.264 357 L HN 0.658 nan 8.230 nan 0.000 0.439 358 T N 1.294 116.098 114.554 0.417 0.000 2.928 358 T HA 0.358 4.708 4.350 -0.000 0.000 0.296 358 T C -1.421 173.462 174.700 0.306 0.000 1.000 358 T CA -0.385 61.901 62.100 0.310 0.000 0.989 358 T CB 1.077 70.014 68.868 0.115 0.000 1.005 358 T HN 0.306 nan 8.240 nan 0.000 0.442 359 Y N 2.801 123.261 120.300 0.267 0.000 2.342 359 Y HA 0.645 5.195 4.550 -0.000 0.000 0.334 359 Y C -0.371 175.559 175.900 0.051 0.000 1.067 359 Y CA -0.732 57.481 58.100 0.188 0.000 1.128 359 Y CB 0.929 39.577 38.460 0.314 0.000 1.200 359 Y HN 0.419 nan 8.280 nan 0.000 0.464 360 K N 4.463 124.372 120.400 -0.818 0.000 2.507 360 K HA 0.332 4.652 4.320 -0.000 0.000 0.251 360 K C -0.802 175.205 176.600 -0.988 0.000 0.943 360 K CA -0.822 55.061 56.287 -0.674 0.000 0.794 360 K CB 1.747 34.062 32.500 -0.307 0.000 1.188 360 K HN 0.845 nan 8.250 nan 0.000 0.428 361 S N 2.297 117.620 115.700 -0.628 0.000 2.573 361 S HA 0.173 4.643 4.470 -0.000 0.000 0.277 361 S C -0.068 174.425 174.600 -0.178 0.000 1.346 361 S CA -0.402 57.651 58.200 -0.246 0.000 1.034 361 S CB 0.551 63.771 63.200 0.033 0.000 0.879 361 S HN 0.302 nan 8.310 nan 0.000 0.528 362 K N 1.141 121.484 120.400 -0.095 0.000 2.240 362 K HA 0.525 4.845 4.320 -0.000 0.000 0.271 362 K C 1.016 177.591 176.600 -0.041 0.000 1.018 362 K CA -0.000 56.241 56.287 -0.076 0.000 0.874 362 K CB 0.619 33.085 32.500 -0.056 0.000 1.098 362 K HN 1.211 nan 8.250 nan 0.000 0.458 363 G N 2.361 111.137 108.800 -0.041 0.000 2.157 363 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.248 363 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.248 363 G C -0.192 174.696 174.900 -0.020 0.000 0.979 363 G CA 0.587 45.672 45.100 -0.026 0.000 0.650 363 G HN 0.677 nan 8.290 nan 0.000 0.529 364 D N -0.652 119.735 120.400 -0.022 0.000 2.497 364 D HA 0.629 5.269 4.640 -0.000 0.000 0.243 364 D C 0.225 176.516 176.300 -0.014 0.000 1.039 364 D CA -0.884 53.108 54.000 -0.013 0.000 1.052 364 D CB 1.076 41.873 40.800 -0.005 0.000 1.344 364 D HN 0.350 nan 8.370 nan 0.000 0.553 365 V N -0.044 119.864 119.914 -0.010 0.000 2.614 365 V HA 0.300 4.420 4.120 -0.000 0.000 0.291 365 V C 0.197 176.286 176.094 -0.009 0.000 1.049 365 V CA -0.141 62.153 62.300 -0.011 0.000 1.038 365 V CB 0.346 32.163 31.823 -0.010 0.000 0.980 365 V HN 0.419 nan 8.190 nan 0.000 0.481 366 K N 2.760 123.153 120.400 -0.011 0.000 2.427 366 K HA 0.638 4.958 4.320 -0.000 0.000 0.252 366 K C -0.262 176.330 176.600 -0.013 0.000 0.931 366 K CA -0.689 55.594 56.287 -0.006 0.000 0.793 366 K CB 1.672 34.168 32.500 -0.007 0.000 1.211 366 K HN 0.632 nan 8.250 nan 0.000 0.426 367 K N 2.707 123.100 120.400 -0.012 0.000 2.339 367 K HA 0.155 4.475 4.320 -0.000 0.000 0.286 367 K C -0.416 176.181 176.600 -0.005 0.000 1.050 367 K CA -0.091 56.177 56.287 -0.033 0.000 0.956 367 K CB -0.088 32.405 32.500 -0.012 0.000 0.990 367 K HN 0.515 nan 8.250 nan 0.000 0.475 368 K N 1.557 121.948 120.400 -0.015 0.000 2.227 368 K HA 0.562 4.882 4.320 -0.000 0.000 0.280 368 K C -0.609 176.048 176.600 0.095 0.000 1.041 368 K CA -0.245 56.075 56.287 0.055 0.000 0.905 368 K CB 0.821 33.363 32.500 0.070 0.000 1.068 368 K HN 0.614 nan 8.250 nan 0.000 0.470 369 I N 1.850 122.515 120.570 0.158 0.000 2.569 369 I HA 0.344 4.514 4.170 -0.000 0.000 0.290 369 I C -0.836 175.394 176.117 0.189 0.000 1.088 369 I CA -0.894 60.532 61.300 0.210 0.000 1.047 369 I CB 2.183 40.312 38.000 0.215 0.000 1.237 369 I HN 0.608 nan 8.210 nan 0.000 0.421 370 A N 7.474 130.411 122.820 0.195 0.000 2.303 370 A HA 0.835 5.155 4.320 -0.000 0.000 0.320 370 A C -0.925 176.727 177.584 0.113 0.000 1.192 370 A CA -0.463 51.664 52.037 0.150 0.000 0.821 370 A CB 0.787 19.876 19.000 0.149 0.000 1.188 370 A HN 0.672 nan 8.150 nan 0.000 0.492 371 L N 3.229 124.473 121.223 0.034 0.000 2.287 371 L HA 0.536 4.876 4.340 -0.000 0.000 0.287 371 L C -0.889 176.031 176.870 0.083 0.000 1.022 371 L CA -0.814 54.058 54.840 0.055 0.000 0.814 371 L CB 1.635 43.709 42.059 0.024 0.000 1.217 371 L HN 0.406 nan 8.230 nan 0.000 0.420 372 V N 2.196 122.166 119.914 0.093 0.000 2.409 372 V HA 0.661 4.781 4.120 -0.000 0.000 0.291 372 V C 0.415 176.541 176.094 0.052 0.000 1.020 372 V CA -0.471 61.869 62.300 0.066 0.000 0.848 372 V CB 1.707 33.592 31.823 0.104 0.000 0.990 372 V HN 0.863 nan 8.190 nan 0.000 0.430 373 G N 2.967 111.769 108.800 0.005 0.000 2.461 373 G HA2 0.507 4.467 3.960 -0.000 0.000 0.323 373 G HA3 0.507 4.467 3.960 -0.000 0.000 0.323 373 G C -0.652 174.222 174.900 -0.043 0.000 1.229 373 G CA -0.761 44.341 45.100 0.003 0.000 0.941 373 G HN 0.689 nan 8.290 nan 0.000 0.477 374 K N 1.015 121.400 120.400 -0.025 0.000 2.447 374 K HA 0.308 4.628 4.320 -0.000 0.000 0.281 374 K C 0.579 177.138 176.600 -0.070 0.000 1.031 374 K CA 0.103 56.360 56.287 -0.050 0.000 1.019 374 K CB 0.397 32.880 32.500 -0.029 0.000 0.918 374 K HN 0.458 nan 8.250 nan 0.000 0.476 375 G N 6.346 115.099 108.800 -0.078 0.000 4.928 375 G HA2 0.259 4.219 3.960 -0.000 0.000 0.321 375 G HA3 0.259 4.219 3.960 -0.000 0.000 0.321 375 G C -0.422 174.466 174.900 -0.020 0.000 1.455 375 G CA -0.513 44.551 45.100 -0.059 0.000 1.081 375 G HN 0.502 nan 8.290 nan 0.000 0.569 376 I N 2.778 123.335 120.570 -0.021 0.000 2.301 376 I HA 0.122 4.292 4.170 -0.000 0.000 0.292 376 I C 1.808 177.933 176.117 0.015 0.000 1.046 376 I CA -0.172 61.133 61.300 0.008 0.000 1.282 376 I CB 0.487 38.481 38.000 -0.009 0.000 1.409 376 I HN 0.317 nan 8.210 nan 0.000 0.484 377 T N 2.991 117.572 114.554 0.045 0.000 2.904 377 T HA -0.029 4.321 4.350 -0.000 0.000 0.267 377 T C 0.313 175.113 174.700 0.167 0.000 1.059 377 T CA 0.779 62.916 62.100 0.060 0.000 1.137 377 T CB 0.039 68.914 68.868 0.011 0.000 0.879 377 T HN 0.301 nan 8.240 nan 0.000 0.467 378 F N 1.190 121.148 119.950 0.013 0.000 2.574 378 F HA 0.525 5.052 4.527 -0.000 0.000 0.313 378 F C -2.005 173.820 175.800 0.041 0.000 1.130 378 F CA -1.867 56.149 58.000 0.026 0.000 0.936 378 F CB 2.150 41.165 39.000 0.024 0.000 1.219 378 F HN -0.124 nan 8.300 nan 0.000 0.445 379 D N 2.735 122.701 120.400 -0.723 0.000 2.472 379 D HA 0.189 4.829 4.640 -0.000 0.000 0.234 379 D C 0.670 176.528 176.300 -0.738 0.000 1.088 379 D CA 0.051 53.759 54.000 -0.487 0.000 0.882 379 D CB 1.351 42.002 40.800 -0.249 0.000 1.037 379 D HN 0.487 nan 8.370 nan 0.000 0.520 380 S N 2.101 117.562 115.700 -0.398 0.000 2.515 380 S HA 0.134 4.604 4.470 -0.000 0.000 0.231 380 S C 1.753 176.303 174.600 -0.082 0.000 0.987 380 S CA 0.652 58.781 58.200 -0.119 0.000 0.936 380 S CB -0.079 63.211 63.200 0.151 0.000 0.766 380 S HN 0.753 nan 8.310 nan 0.000 0.528 381 G N 0.665 109.416 108.800 -0.082 0.000 2.253 381 G HA2 0.080 4.040 3.960 -0.000 0.000 0.251 381 G HA3 0.080 4.040 3.960 -0.000 0.000 0.251 381 G C 1.237 176.143 174.900 0.011 0.000 0.998 381 G CA 0.361 45.444 45.100 -0.029 0.000 0.621 381 G HN 1.840 nan 8.290 nan 0.000 0.524 382 G N -0.818 107.989 108.800 0.013 0.000 2.569 382 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.259 382 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.259 382 G C 0.526 175.374 174.900 -0.087 0.000 1.263 382 G CA 0.619 45.719 45.100 0.000 0.000 0.928 382 G HN 1.072 nan 8.290 nan 0.000 0.572 383 Y N 1.231 121.515 120.300 -0.026 0.000 2.315 383 Y HA -0.075 4.475 4.550 -0.000 0.000 0.288 383 Y C 2.440 178.310 175.900 -0.049 0.000 1.154 383 Y CA 2.015 60.090 58.100 -0.043 0.000 1.229 383 Y CB -0.282 38.135 38.460 -0.072 0.000 0.980 383 Y HN 0.432 nan 8.280 nan 0.000 0.540 384 N N 1.094 119.824 118.700 0.050 0.000 3.210 384 N HA 0.088 4.828 4.740 -0.000 0.000 0.314 384 N C -0.668 174.838 175.510 -0.007 0.000 1.291 384 N CA -0.207 52.848 53.050 0.008 0.000 1.202 384 N CB -0.326 38.150 38.487 -0.019 0.000 1.475 384 N HN 0.081 nan 8.380 nan 0.000 0.554 385 L N 0.805 122.020 121.223 -0.012 0.000 2.593 385 L HA -0.101 4.239 4.340 -0.000 0.000 0.287 385 L C 0.245 177.106 176.870 -0.015 0.000 1.243 385 L CA 0.446 55.273 54.840 -0.022 0.000 0.890 385 L CB 0.374 42.418 42.059 -0.025 0.000 1.134 385 L HN 0.260 nan 8.230 nan 0.000 0.502 386 K N 5.395 125.784 120.400 -0.019 0.000 2.081 386 K HA 0.163 4.483 4.320 -0.000 0.000 0.230 386 K C 0.634 177.229 176.600 -0.008 0.000 1.199 386 K CA 0.566 56.842 56.287 -0.019 0.000 1.130 386 K CB -0.134 32.343 32.500 -0.037 0.000 1.386 386 K HN 0.759 nan 8.250 nan 0.000 0.280 387 A N 1.388 124.204 122.820 -0.007 0.000 2.324 387 A HA 0.268 4.588 4.320 -0.000 0.000 0.220 387 A C 0.865 178.447 177.584 -0.005 0.000 1.209 387 A CA -0.111 51.924 52.037 -0.003 0.000 0.918 387 A CB 0.450 19.449 19.000 -0.002 0.000 0.959 387 A HN 0.551 nan 8.150 nan 0.000 0.507 388 A N 1.291 124.106 122.820 -0.007 0.000 2.462 388 A HA 0.514 4.834 4.320 -0.000 0.000 0.243 388 A C -2.373 175.207 177.584 -0.006 0.000 1.076 388 A CA -0.950 51.083 52.037 -0.007 0.000 0.773 388 A CB -0.608 18.386 19.000 -0.010 0.000 1.010 388 A HN 0.200 nan 8.150 nan 0.000 0.493 389 P HA 0.212 nan 4.420 nan 0.000 0.260 389 P C 1.042 178.341 177.300 -0.002 0.000 1.172 389 P CA 2.056 65.153 63.100 -0.005 0.000 0.760 389 P CB 0.459 32.157 31.700 -0.003 0.000 0.773 390 G N 2.570 111.366 108.800 -0.006 0.000 2.213 390 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.236 390 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.236 390 G C 1.136 176.035 174.900 -0.001 0.000 0.991 390 G CA 0.413 45.513 45.100 -0.001 0.000 0.629 390 G HN 0.569 nan 8.290 nan 0.000 0.517 391 S N 0.012 115.708 115.700 -0.007 0.000 2.522 391 S HA 0.317 4.787 4.470 -0.000 0.000 0.227 391 S C 1.405 175.989 174.600 -0.027 0.000 0.986 391 S CA 1.056 59.251 58.200 -0.009 0.000 0.929 391 S CB -0.341 62.852 63.200 -0.011 0.000 0.769 391 S HN 1.215 nan 8.310 nan 0.000 0.529 392 M N 0.480 120.058 119.600 -0.037 0.000 2.303 392 M HA -0.174 4.306 4.480 -0.000 0.000 0.189 392 M C 0.726 176.977 176.300 -0.082 0.000 0.688 392 M CA 0.208 55.469 55.300 -0.066 0.000 0.479 392 M CB -1.551 30.995 32.600 -0.090 0.000 1.094 392 M HN 0.478 nan 8.290 nan 0.000 0.907 393 I N 1.708 122.254 120.570 -0.040 0.000 2.315 393 I HA -0.317 3.853 4.170 -0.000 0.000 0.251 393 I C 2.218 178.360 176.117 0.042 0.000 1.125 393 I CA 2.547 63.842 61.300 -0.010 0.000 1.392 393 I CB -0.042 37.990 38.000 0.053 0.000 1.065 393 I HN 0.676 nan 8.210 nan 0.000 0.424 394 D N 0.535 120.934 120.400 -0.001 0.000 2.350 394 D HA -0.211 4.429 4.640 -0.000 0.000 0.216 394 D C 1.943 178.166 176.300 -0.128 0.000 0.968 394 D CA 0.767 54.758 54.000 -0.015 0.000 0.894 394 D CB -0.337 40.434 40.800 -0.048 0.000 0.909 394 D HN 0.462 nan 8.370 nan 0.000 0.520 395 L N -0.797 120.272 121.223 -0.256 0.000 2.567 395 L HA 0.161 4.501 4.340 -0.000 0.000 0.225 395 L C 1.697 178.344 176.870 -0.372 0.000 1.119 395 L CA 0.367 54.874 54.840 -0.554 0.000 0.871 395 L CB -0.076 41.493 42.059 -0.817 0.000 1.036 395 L HN -0.223 nan 8.230 nan 0.000 0.459 396 M N 0.117 119.645 119.600 -0.121 0.000 2.659 396 M HA -0.020 4.460 4.480 -0.000 0.000 0.243 396 M C 1.745 178.091 176.300 0.076 0.000 1.111 396 M CA 0.671 55.916 55.300 -0.092 0.000 1.070 396 M CB -0.811 31.494 32.600 -0.493 0.000 1.525 396 M HN 0.460 nan 8.290 nan 0.000 0.517 397 K N 0.603 121.144 120.400 0.235 0.000 2.281 397 K HA -0.171 4.149 4.320 -0.000 0.000 0.203 397 K C 1.561 178.279 176.600 0.197 0.000 1.046 397 K CA 1.369 57.793 56.287 0.228 0.000 0.938 397 K CB -1.091 31.482 32.500 0.121 0.000 0.737 397 K HN 0.489 nan 8.250 nan 0.000 0.458 398 F N 0.680 120.586 119.950 -0.074 0.000 2.802 398 F HA 0.146 4.673 4.527 -0.000 0.000 0.300 398 F C 0.784 176.575 175.800 -0.014 0.000 1.168 398 F CA -0.334 57.648 58.000 -0.029 0.000 1.433 398 F CB 0.076 39.048 39.000 -0.047 0.000 1.115 398 F HN -0.123 nan 8.300 nan 0.000 0.582 399 D N 1.784 122.183 120.400 -0.002 0.000 2.336 399 D HA -0.004 4.636 4.640 -0.000 0.000 0.229 399 D C 1.290 177.490 176.300 -0.167 0.000 1.061 399 D CA 0.554 54.428 54.000 -0.209 0.000 0.875 399 D CB 0.059 40.813 40.800 -0.076 0.000 0.904 399 D HN 0.491 nan 8.370 nan 0.000 0.525 400 M N -2.527 117.004 119.600 -0.114 0.000 2.484 400 M HA 0.402 4.882 4.480 -0.000 0.000 0.307 400 M C 1.363 177.609 176.300 -0.090 0.000 1.149 400 M CA -0.209 55.043 55.300 -0.080 0.000 0.972 400 M CB 0.153 32.731 32.600 -0.036 0.000 1.400 400 M HN -0.317 nan 8.290 nan 0.000 0.508 401 S N 1.575 117.182 115.700 -0.154 0.000 2.387 401 S HA -0.084 4.386 4.470 -0.000 0.000 0.230 401 S C 1.993 176.554 174.600 -0.064 0.000 1.035 401 S CA 1.897 60.030 58.200 -0.112 0.000 1.014 401 S CB -0.916 62.176 63.200 -0.180 0.000 0.836 401 S HN 0.789 nan 8.310 nan 0.000 0.466 402 G N 0.116 108.871 108.800 -0.076 0.000 2.404 402 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.215 402 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.215 402 G C 1.750 176.647 174.900 -0.004 0.000 1.174 402 G CA 1.007 46.095 45.100 -0.020 0.000 0.780 402 G HN 0.603 nan 8.290 nan 0.000 0.537 403 C N 1.075 120.359 119.300 -0.027 0.000 2.413 403 C HA 0.129 4.589 4.460 -0.000 0.000 0.276 403 C C 3.434 178.427 174.990 0.005 0.000 1.236 403 C CA 1.771 60.779 59.018 -0.018 0.000 1.735 403 C CB -1.105 26.607 27.740 -0.046 0.000 2.031 403 C HN 0.546 nan 8.230 nan 0.000 0.474 404 A N 0.587 123.396 122.820 -0.019 0.000 1.883 404 A HA 0.045 4.365 4.320 -0.000 0.000 0.217 404 A C 2.541 180.133 177.584 0.013 0.000 1.186 404 A CA 2.569 54.589 52.037 -0.028 0.000 0.624 404 A CB -1.340 17.615 19.000 -0.074 0.000 0.822 404 A HN 0.957 nan 8.150 nan 0.000 0.444 405 A N -0.666 122.165 122.820 0.018 0.000 1.892 405 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 405 A C 2.240 179.866 177.584 0.069 0.000 1.188 405 A CA 2.063 54.120 52.037 0.033 0.000 0.631 405 A CB -1.046 17.981 19.000 0.045 0.000 0.822 405 A HN 0.473 nan 8.150 nan 0.000 0.447 406 V N -0.493 119.479 119.914 0.097 0.000 2.515 406 V HA -0.168 3.952 4.120 -0.000 0.000 0.250 406 V C 2.431 178.633 176.094 0.181 0.000 1.058 406 V CA 1.546 63.956 62.300 0.184 0.000 1.064 406 V CB -0.571 31.363 31.823 0.185 0.000 0.675 406 V HN 0.458 nan 8.190 nan 0.000 0.461 407 L N 0.789 122.084 121.223 0.121 0.000 2.131 407 L HA 0.082 4.422 4.340 -0.000 0.000 0.206 407 L C 2.554 179.488 176.870 0.106 0.000 1.087 407 L CA 2.116 57.019 54.840 0.106 0.000 0.767 407 L CB -1.764 40.419 42.059 0.206 0.000 0.917 407 L HN 0.341 nan 8.230 nan 0.000 0.441 408 G N -1.702 107.193 108.800 0.159 0.000 2.422 408 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 408 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 408 G C 1.916 176.860 174.900 0.073 0.000 1.146 408 G CA 0.940 46.121 45.100 0.134 0.000 0.769 408 G HN 0.492 nan 8.290 nan 0.000 0.547 409 C N 0.949 120.282 119.300 0.054 0.000 2.429 409 C HA 0.195 4.655 4.460 -0.000 0.000 0.277 409 C C 3.419 178.404 174.990 -0.008 0.000 1.262 409 C CA 1.526 60.584 59.018 0.067 0.000 1.733 409 C CB -1.058 26.799 27.740 0.194 0.000 2.010 409 C HN 0.537 nan 8.230 nan 0.000 0.483 410 A N -0.985 121.671 122.820 -0.274 0.000 1.933 410 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 410 A C 2.020 179.378 177.584 -0.377 0.000 1.175 410 A CA 1.875 53.418 52.037 -0.823 0.000 0.628 410 A CB -1.173 17.167 19.000 -1.099 0.000 0.814 410 A HN 0.822 nan 8.150 nan 0.000 0.444 411 Y N 0.334 120.473 120.300 -0.269 0.000 2.097 411 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 411 Y C 2.563 178.417 175.900 -0.076 0.000 1.152 411 Y CA 1.709 59.708 58.100 -0.168 0.000 1.136 411 Y CB -0.936 37.435 38.460 -0.148 0.000 0.975 411 Y HN 0.369 nan 8.280 nan 0.000 0.498 412 C N -0.877 118.296 119.300 -0.211 0.000 2.429 412 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 412 C C 2.852 177.711 174.990 -0.218 0.000 1.262 412 C CA 1.052 59.964 59.018 -0.177 0.000 1.733 412 C CB -1.275 26.466 27.740 0.002 0.000 2.010 412 C HN 0.514 nan 8.230 nan 0.000 0.483 413 V N 1.356 121.148 119.914 -0.203 0.000 2.343 413 V HA -0.100 4.020 4.120 -0.000 0.000 0.247 413 V C 2.665 178.484 176.094 -0.458 0.000 1.051 413 V CA 2.437 64.562 62.300 -0.290 0.000 1.036 413 V CB -1.439 30.302 31.823 -0.137 0.000 0.654 413 V HN 0.658 nan 8.190 nan 0.000 0.451 414 G N -0.878 107.702 108.800 -0.367 0.000 2.432 414 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 414 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 414 G C 1.674 176.436 174.900 -0.231 0.000 1.135 414 G CA 1.513 46.469 45.100 -0.241 0.000 0.767 414 G HN 0.491 nan 8.290 nan 0.000 0.550 415 T N 0.936 115.271 114.554 -0.364 0.000 2.852 415 T HA 0.100 4.450 4.350 -0.000 0.000 0.256 415 T C 2.345 176.947 174.700 -0.163 0.000 1.038 415 T CA 0.438 62.353 62.100 -0.308 0.000 1.141 415 T CB -0.106 68.438 68.868 -0.541 0.000 0.869 415 T HN 0.124 nan 8.240 nan 0.000 0.439 416 L N 0.383 121.512 121.223 -0.157 0.000 2.313 416 L HA 0.166 4.506 4.340 -0.000 0.000 0.214 416 L C 0.427 177.257 176.870 -0.066 0.000 1.119 416 L CA 0.377 55.172 54.840 -0.074 0.000 0.809 416 L CB -0.449 41.596 42.059 -0.023 0.000 0.933 416 L HN 0.237 nan 8.230 nan 0.000 0.449 417 K N -0.189 120.134 120.400 -0.127 0.000 3.653 417 K HA -0.146 4.174 4.320 -0.000 0.000 0.275 417 K C -2.195 174.439 176.600 0.057 0.000 0.962 417 K CA -0.268 56.013 56.287 -0.010 0.000 0.773 417 K CB -1.585 30.990 32.500 0.125 0.000 1.463 417 K HN 0.258 nan 8.250 nan 0.000 0.450 418 P HA -0.037 nan 4.420 nan 0.000 0.268 418 P C -0.054 177.345 177.300 0.165 0.000 1.208 418 P CA 0.330 63.456 63.100 0.043 0.000 0.777 418 P CB 0.651 32.346 31.700 -0.008 0.000 0.875 419 E N 1.014 121.275 120.200 0.103 0.000 2.318 419 E HA 0.108 4.458 4.350 -0.000 0.000 0.265 419 E C 0.304 176.951 176.600 0.079 0.000 1.069 419 E CA -0.616 55.839 56.400 0.092 0.000 0.893 419 E CB 0.137 29.866 29.700 0.049 0.000 1.076 419 E HN 0.383 nan 8.360 nan 0.000 0.414 420 N N -0.293 118.440 118.700 0.055 0.000 2.735 420 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 420 N C -1.316 174.219 175.510 0.041 0.000 1.083 420 N CA 0.528 53.597 53.050 0.031 0.000 0.703 420 N CB -0.927 37.571 38.487 0.017 0.000 1.005 420 N HN 0.151 nan 8.380 nan 0.000 0.550 421 V N 0.010 119.971 119.914 0.077 0.000 2.932 421 V HA 0.370 4.490 4.120 -0.000 0.000 0.307 421 V C -0.835 175.311 176.094 0.087 0.000 1.147 421 V CA -0.750 61.604 62.300 0.091 0.000 0.951 421 V CB 2.536 34.430 31.823 0.118 0.000 1.031 421 V HN 0.237 nan 8.190 nan 0.000 0.426 422 E N 5.413 125.638 120.200 0.043 0.000 2.191 422 E HA 0.650 5.000 4.350 -0.000 0.000 0.263 422 E C -1.629 174.942 176.600 -0.048 0.000 0.881 422 E CA -0.560 55.833 56.400 -0.013 0.000 0.757 422 E CB 1.576 31.262 29.700 -0.022 0.000 1.147 422 E HN 0.636 nan 8.360 nan 0.000 0.414 423 I N 4.183 124.689 120.570 -0.107 0.000 2.436 423 I HA 0.282 4.452 4.170 -0.000 0.000 0.289 423 I C -0.448 175.353 176.117 -0.527 0.000 1.010 423 I CA -0.860 60.253 61.300 -0.311 0.000 1.098 423 I CB 1.632 39.377 38.000 -0.425 0.000 1.266 423 I HN 0.473 nan 8.210 nan 0.000 0.434 424 H N 6.427 125.380 119.070 -0.196 0.000 2.519 424 H HA 0.377 4.933 4.556 -0.000 0.000 0.316 424 H C -1.206 174.032 175.328 -0.149 0.000 1.065 424 H CA -0.417 55.642 56.048 0.019 0.000 1.264 424 H CB 1.130 30.950 29.762 0.097 0.000 1.413 424 H HN 0.358 nan 8.280 nan 0.000 0.465 425 F N 4.018 124.132 119.950 0.272 0.000 2.361 425 F HA 0.332 4.859 4.527 -0.000 0.000 0.364 425 F C 0.126 175.998 175.800 0.119 0.000 1.117 425 F CA -0.571 57.531 58.000 0.170 0.000 1.071 425 F CB 0.944 40.032 39.000 0.147 0.000 1.188 425 F HN 0.178 nan 8.300 nan 0.000 0.464 426 L N 2.606 123.916 121.223 0.144 0.000 2.362 426 L HA 0.700 5.040 4.340 -0.000 0.000 0.271 426 L C -0.299 176.420 176.870 -0.252 0.000 1.002 426 L CA -0.718 54.070 54.840 -0.088 0.000 0.818 426 L CB 2.238 44.260 42.059 -0.061 0.000 1.298 426 L HN 0.520 nan 8.230 nan 0.000 0.420 427 S N 1.381 116.735 115.700 -0.576 0.000 2.603 427 S HA 0.674 5.144 4.470 -0.000 0.000 0.274 427 S C -0.805 173.263 174.600 -0.886 0.000 1.168 427 S CA -0.441 57.431 58.200 -0.547 0.000 0.963 427 S CB 1.704 64.755 63.200 -0.247 0.000 1.078 427 S HN 0.681 nan 8.310 nan 0.000 0.477 428 A N 4.563 126.915 122.820 -0.780 0.000 2.527 428 A HA 0.600 4.920 4.320 -0.000 0.000 0.313 428 A C -0.154 177.213 177.584 -0.361 0.000 1.410 428 A CA -0.351 51.185 52.037 -0.836 0.000 1.060 428 A CB -0.254 18.042 19.000 -1.173 0.000 1.137 428 A HN 0.728 nan 8.150 nan 0.000 0.542 429 V N 2.314 122.205 119.914 -0.038 0.000 2.567 429 V HA 0.544 4.664 4.120 -0.000 0.000 0.289 429 V C 0.564 176.833 176.094 0.292 0.000 1.049 429 V CA -0.058 62.298 62.300 0.094 0.000 0.969 429 V CB 0.284 32.132 31.823 0.040 0.000 0.995 429 V HN 1.306 nan 8.190 nan 0.000 0.471 430 C N 2.167 121.587 119.300 0.199 0.000 3.211 430 C HA 0.749 5.209 4.460 -0.000 0.000 0.350 430 C C -1.048 174.014 174.990 0.120 0.000 1.413 430 C CA -0.889 58.232 59.018 0.171 0.000 1.203 430 C CB 1.503 29.355 27.740 0.187 0.000 1.506 430 C HN 0.927 nan 8.230 nan 0.000 0.448 431 E N 0.825 121.098 120.200 0.123 0.000 2.248 431 E HA 0.482 4.832 4.350 -0.000 0.000 0.267 431 E C -1.537 175.140 176.600 0.127 0.000 0.877 431 E CA -0.288 56.201 56.400 0.148 0.000 0.759 431 E CB 1.627 31.461 29.700 0.223 0.000 1.182 431 E HN 0.663 nan 8.360 nan 0.000 0.418 432 N N 5.034 123.804 118.700 0.117 0.000 2.609 432 N HA 0.225 4.965 4.740 -0.000 0.000 0.234 432 N C -1.123 174.465 175.510 0.129 0.000 1.001 432 N CA -0.171 52.941 53.050 0.104 0.000 0.926 432 N CB 0.406 38.939 38.487 0.077 0.000 1.130 432 N HN 0.412 nan 8.380 nan 0.000 0.510 433 M N 1.417 121.093 119.600 0.126 0.000 2.761 433 M HA 0.481 4.961 4.480 -0.000 0.000 0.305 433 M C -0.577 175.734 176.300 0.018 0.000 1.235 433 M CA -1.080 54.281 55.300 0.101 0.000 0.850 433 M CB 1.649 34.311 32.600 0.103 0.000 1.744 433 M HN -0.037 nan 8.290 nan 0.000 0.480 434 V N 0.703 120.578 119.914 -0.065 0.000 2.398 434 V HA 0.698 4.818 4.120 -0.000 0.000 0.286 434 V C -0.062 175.950 176.094 -0.136 0.000 1.026 434 V CA -0.156 61.997 62.300 -0.245 0.000 0.868 434 V CB 1.399 33.010 31.823 -0.353 0.000 0.982 434 V HN 0.964 nan 8.190 nan 0.000 0.443 435 S N 3.052 118.712 115.700 -0.066 0.000 2.611 435 S HA 0.345 4.815 4.470 -0.000 0.000 0.268 435 S C 0.658 175.353 174.600 0.158 0.000 1.156 435 S CA -0.255 57.969 58.200 0.041 0.000 0.817 435 S CB 1.709 64.935 63.200 0.043 0.000 1.122 435 S HN 0.823 nan 8.310 nan 0.000 0.466 436 K N 1.301 121.771 120.400 0.117 0.000 2.209 436 K HA -0.019 4.301 4.320 -0.000 0.000 0.204 436 K C 0.852 177.522 176.600 0.117 0.000 1.048 436 K CA 1.975 58.335 56.287 0.120 0.000 0.940 436 K CB -0.585 31.954 32.500 0.065 0.000 0.729 436 K HN 0.521 nan 8.250 nan 0.000 0.451 437 N N 0.668 119.431 118.700 0.104 0.000 2.336 437 N HA 0.032 4.772 4.740 -0.000 0.000 0.189 437 N C -0.567 175.024 175.510 0.135 0.000 1.113 437 N CA -0.253 52.851 53.050 0.090 0.000 0.858 437 N CB 0.514 39.031 38.487 0.050 0.000 0.970 437 N HN 0.051 nan 8.380 nan 0.000 0.471 438 S N 1.080 116.913 115.700 0.221 0.000 2.573 438 S HA -0.024 4.446 4.470 -0.000 0.000 0.277 438 S C -0.091 174.710 174.600 0.335 0.000 1.346 438 S CA -0.550 57.837 58.200 0.311 0.000 1.034 438 S CB 0.102 63.550 63.200 0.412 0.000 0.879 438 S HN 0.305 nan 8.310 nan 0.000 0.528 439 Y N 1.225 121.588 120.300 0.104 0.000 2.457 439 Y HA 0.494 5.044 4.550 -0.000 0.000 0.341 439 Y C 0.159 176.116 175.900 0.094 0.000 1.240 439 Y CA -0.986 57.156 58.100 0.070 0.000 1.437 439 Y CB 0.193 38.683 38.460 0.051 0.000 1.328 439 Y HN 0.462 nan 8.280 nan 0.000 0.588 440 R N 3.115 123.565 120.500 -0.082 0.000 2.664 440 R HA 0.477 4.817 4.340 -0.000 0.000 0.286 440 R C -2.602 173.527 176.300 -0.285 0.000 0.967 440 R CA -2.182 53.781 56.100 -0.228 0.000 0.933 440 R CB 1.181 31.351 30.300 -0.217 0.000 1.146 440 R HN 0.481 nan 8.270 nan 0.000 0.468 441 P HA -0.034 nan 4.420 nan 0.000 0.265 441 P C 0.567 177.786 177.300 -0.136 0.000 1.187 441 P CA 0.852 63.839 63.100 -0.189 0.000 0.766 441 P CB 0.624 32.248 31.700 -0.128 0.000 0.820 442 G N 1.609 110.351 108.800 -0.097 0.000 2.268 442 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.240 442 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.240 442 G C 0.035 174.909 174.900 -0.043 0.000 1.010 442 G CA -0.078 44.984 45.100 -0.063 0.000 0.618 442 G HN 0.523 nan 8.290 nan 0.000 0.516 443 D N 0.478 120.853 120.400 -0.042 0.000 2.400 443 D HA 0.446 5.086 4.640 -0.000 0.000 0.238 443 D C 0.770 177.099 176.300 0.047 0.000 1.157 443 D CA 0.402 54.408 54.000 0.010 0.000 0.889 443 D CB 0.719 41.554 40.800 0.059 0.000 1.199 443 D HN 0.367 nan 8.370 nan 0.000 0.436 444 I N 2.626 123.228 120.570 0.053 0.000 2.362 444 I HA 0.327 4.497 4.170 -0.000 0.000 0.289 444 I C 0.143 176.314 176.117 0.090 0.000 0.994 444 I CA -0.676 60.670 61.300 0.077 0.000 1.158 444 I CB 0.919 38.959 38.000 0.067 0.000 1.315 444 I HN 0.201 nan 8.210 nan 0.000 0.451 445 I N 1.913 122.552 120.570 0.115 0.000 2.957 445 I HA 0.670 4.840 4.170 -0.000 0.000 0.310 445 I C -0.802 175.384 176.117 0.115 0.000 1.063 445 I CA -0.481 60.886 61.300 0.111 0.000 1.033 445 I CB 2.492 40.569 38.000 0.129 0.000 1.230 445 I HN 0.270 nan 8.210 nan 0.000 0.447 446 T N 3.065 117.677 114.554 0.097 0.000 2.792 446 T HA 0.680 5.030 4.350 -0.000 0.000 0.280 446 T C 0.044 174.809 174.700 0.109 0.000 0.990 446 T CA -0.400 61.762 62.100 0.103 0.000 0.960 446 T CB 1.492 70.406 68.868 0.077 0.000 0.939 446 T HN 0.843 nan 8.240 nan 0.000 0.439 447 A N 1.983 124.891 122.820 0.147 0.000 2.287 447 A HA 0.532 4.852 4.320 -0.000 0.000 0.273 447 A C 1.635 179.292 177.584 0.121 0.000 1.091 447 A CA -0.210 51.915 52.037 0.146 0.000 0.817 447 A CB 0.111 19.264 19.000 0.256 0.000 1.069 447 A HN 0.954 nan 8.150 nan 0.000 0.492 448 S N 0.316 116.078 115.700 0.103 0.000 2.500 448 S HA -0.158 4.312 4.470 -0.000 0.000 0.239 448 S C 0.931 175.576 174.600 0.075 0.000 0.989 448 S CA 1.212 59.459 58.200 0.078 0.000 0.951 448 S CB -0.548 62.693 63.200 0.068 0.000 0.759 448 S HN 0.882 nan 8.310 nan 0.000 0.523 449 N N 0.970 119.735 118.700 0.107 0.000 2.322 449 N HA 0.249 4.989 4.740 -0.000 0.000 0.194 449 N C 1.199 176.733 175.510 0.041 0.000 1.126 449 N CA 0.564 53.653 53.050 0.064 0.000 0.845 449 N CB -0.338 38.183 38.487 0.057 0.000 0.976 449 N HN 0.561 nan 8.380 nan 0.000 0.475 450 G N -0.139 108.697 108.800 0.061 0.000 2.195 450 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.246 450 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.246 450 G C -0.193 174.737 174.900 0.050 0.000 0.984 450 G CA 0.031 45.157 45.100 0.043 0.000 0.633 450 G HN 0.448 nan 8.290 nan 0.000 0.525 451 K N 2.250 122.695 120.400 0.076 0.000 2.297 451 K HA 0.452 4.772 4.320 -0.000 0.000 0.286 451 K C 0.900 177.577 176.600 0.129 0.000 1.053 451 K CA 0.464 56.789 56.287 0.065 0.000 0.940 451 K CB 0.711 33.219 32.500 0.013 0.000 1.019 451 K HN 0.380 nan 8.250 nan 0.000 0.475 452 T N 0.622 115.238 114.554 0.103 0.000 2.897 452 T HA 0.489 4.839 4.350 -0.000 0.000 0.294 452 T C 0.206 175.008 174.700 0.171 0.000 1.004 452 T CA -0.629 61.548 62.100 0.128 0.000 1.106 452 T CB 0.444 69.371 68.868 0.099 0.000 0.949 452 T HN 0.352 nan 8.240 nan 0.000 0.520 453 I N 1.561 122.248 120.570 0.195 0.000 2.533 453 I HA 0.350 4.520 4.170 -0.000 0.000 0.290 453 I C -0.019 176.203 176.117 0.176 0.000 1.056 453 I CA -0.802 60.645 61.300 0.245 0.000 1.057 453 I CB 2.352 40.551 38.000 0.333 0.000 1.240 453 I HN 0.744 nan 8.210 nan 0.000 0.423 454 E N 5.372 125.666 120.200 0.157 0.000 2.200 454 E HA 0.383 4.733 4.350 -0.000 0.000 0.283 454 E C -1.208 175.437 176.600 0.075 0.000 1.015 454 E CA -0.638 55.828 56.400 0.110 0.000 0.819 454 E CB 1.463 31.229 29.700 0.110 0.000 1.081 454 E HN 0.338 nan 8.360 nan 0.000 0.397 455 V N 4.642 124.587 119.914 0.052 0.000 2.455 455 V HA 0.199 4.319 4.120 -0.000 0.000 0.273 455 V C 1.089 177.161 176.094 -0.037 0.000 1.045 455 V CA 0.447 62.752 62.300 0.008 0.000 0.976 455 V CB 1.245 33.067 31.823 -0.001 0.000 0.993 455 V HN 0.935 nan 8.190 nan 0.000 0.475 456 G N 3.733 112.505 108.800 -0.046 0.000 2.921 456 G HA2 0.078 4.038 3.960 -0.000 0.000 0.213 456 G HA3 0.078 4.038 3.960 -0.000 0.000 0.213 456 G C 0.454 175.313 174.900 -0.068 0.000 1.143 456 G CA 0.056 45.128 45.100 -0.046 0.000 0.764 456 G HN 0.589 nan 8.290 nan 0.000 0.542 457 N N -0.041 118.605 118.700 -0.089 0.000 2.648 457 N HA 0.035 4.775 4.740 -0.000 0.000 0.272 457 N C 0.915 176.358 175.510 -0.111 0.000 1.118 457 N CA 0.286 53.282 53.050 -0.090 0.000 0.973 457 N CB 1.238 39.689 38.487 -0.060 0.000 1.565 457 N HN -0.032 nan 8.380 nan 0.000 0.542 458 T N -1.062 113.389 114.554 -0.172 0.000 3.113 458 T HA -0.045 4.305 4.350 -0.000 0.000 0.263 458 T C 0.926 175.653 174.700 0.045 0.000 1.143 458 T CA 0.838 62.799 62.100 -0.232 0.000 1.090 458 T CB 0.118 68.748 68.868 -0.397 0.000 0.922 458 T HN 0.319 nan 8.240 nan 0.000 0.521 459 D N 1.524 121.927 120.400 0.005 0.000 2.340 459 D HA 0.241 4.881 4.640 -0.000 0.000 0.220 459 D C 1.260 177.569 176.300 0.015 0.000 1.039 459 D CA 0.108 54.118 54.000 0.017 0.000 0.866 459 D CB -0.247 40.548 40.800 -0.009 0.000 0.913 459 D HN 0.538 nan 8.370 nan 0.000 0.523 460 A N 1.072 123.896 122.820 0.006 0.000 3.163 460 A HA 0.109 4.429 4.320 -0.000 0.000 0.283 460 A C 1.497 179.083 177.584 0.003 0.000 1.412 460 A CA -0.291 51.733 52.037 -0.023 0.000 1.053 460 A CB -0.299 18.654 19.000 -0.078 0.000 1.082 460 A HN 0.157 nan 8.150 nan 0.000 0.639 461 E N 0.026 120.263 120.200 0.062 0.000 2.216 461 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 461 E C 1.534 178.149 176.600 0.025 0.000 0.988 461 E CA 1.280 57.734 56.400 0.089 0.000 0.834 461 E CB -0.895 28.879 29.700 0.123 0.000 0.772 461 E HN 0.363 nan 8.360 nan 0.000 0.479 462 G N 2.718 111.523 108.800 0.007 0.000 2.418 462 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.217 462 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.217 462 G C 1.879 176.777 174.900 -0.004 0.000 1.158 462 G CA 1.386 46.487 45.100 0.000 0.000 0.771 462 G HN 0.476 nan 8.290 nan 0.000 0.545 463 R N 0.390 120.877 120.500 -0.021 0.000 2.115 463 R HA 0.114 4.454 4.340 -0.000 0.000 0.230 463 R C 2.321 178.652 176.300 0.050 0.000 1.111 463 R CA 1.098 57.201 56.100 0.005 0.000 0.976 463 R CB -0.670 29.587 30.300 -0.073 0.000 0.870 463 R HN 0.391 nan 8.270 nan 0.000 0.445 464 L N 1.740 122.957 121.223 -0.009 0.000 2.017 464 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 464 L C 2.897 179.765 176.870 -0.003 0.000 1.073 464 L CA 2.119 56.969 54.840 0.017 0.000 0.745 464 L CB -1.080 40.993 42.059 0.024 0.000 0.894 464 L HN 0.447 nan 8.230 nan 0.000 0.432 465 T N -2.076 112.483 114.554 0.007 0.000 2.857 465 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 465 T C 1.921 176.560 174.700 -0.102 0.000 1.048 465 T CA 0.640 62.735 62.100 -0.007 0.000 1.139 465 T CB -0.499 68.372 68.868 0.004 0.000 0.874 465 T HN 0.184 nan 8.240 nan 0.000 0.455 466 L N 1.165 122.348 121.223 -0.067 0.000 2.042 466 L HA -0.029 4.311 4.340 -0.000 0.000 0.210 466 L C 3.380 180.182 176.870 -0.114 0.000 1.076 466 L CA 1.277 56.084 54.840 -0.056 0.000 0.749 466 L CB -0.910 41.150 42.059 0.002 0.000 0.893 466 L HN 0.404 nan 8.230 nan 0.000 0.432 467 A N -0.011 122.663 122.820 -0.243 0.000 1.873 467 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 467 A C 2.008 179.371 177.584 -0.368 0.000 1.193 467 A CA 2.305 53.963 52.037 -0.631 0.000 0.629 467 A CB -0.648 17.547 19.000 -1.341 0.000 0.826 467 A HN 0.382 nan 8.150 nan 0.000 0.447 468 D N -0.419 119.864 120.400 -0.196 0.000 2.144 468 D HA -0.007 4.633 4.640 -0.000 0.000 0.200 468 D C 2.259 178.578 176.300 0.032 0.000 0.978 468 D CA 1.367 55.343 54.000 -0.041 0.000 0.833 468 D CB -0.333 40.494 40.800 0.045 0.000 0.961 468 D HN 0.427 nan 8.370 nan 0.000 0.470 469 A N 0.704 123.545 122.820 0.035 0.000 1.933 469 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 469 A C 2.401 180.087 177.584 0.171 0.000 1.175 469 A CA 0.805 52.946 52.037 0.174 0.000 0.628 469 A CB -0.700 18.346 19.000 0.078 0.000 0.814 469 A HN 0.197 nan 8.150 nan 0.000 0.444 470 L N -0.572 120.693 121.223 0.069 0.000 2.083 470 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 470 L C 2.516 179.422 176.870 0.061 0.000 1.083 470 L CA 0.996 55.868 54.840 0.053 0.000 0.752 470 L CB -0.519 41.514 42.059 -0.044 0.000 0.899 470 L HN 0.249 nan 8.230 nan 0.000 0.433 471 V N -0.994 118.964 119.914 0.074 0.000 2.295 471 V HA -0.347 3.773 4.120 -0.000 0.000 0.246 471 V C 2.213 178.340 176.094 0.056 0.000 1.049 471 V CA 1.913 64.255 62.300 0.070 0.000 1.024 471 V CB -0.720 31.162 31.823 0.098 0.000 0.648 471 V HN 0.394 nan 8.190 nan 0.000 0.447 472 Y N 1.351 121.628 120.300 -0.038 0.000 2.114 472 Y HA -0.305 4.245 4.550 -0.000 0.000 0.282 472 Y C 2.407 178.276 175.900 -0.050 0.000 1.165 472 Y CA 2.004 60.058 58.100 -0.077 0.000 1.148 472 Y CB -0.448 37.921 38.460 -0.152 0.000 0.972 472 Y HN 0.163 nan 8.280 nan 0.000 0.504 473 A N -0.077 122.852 122.820 0.181 0.000 1.873 473 A HA -0.233 4.087 4.320 -0.000 0.000 0.215 473 A C 2.172 179.738 177.584 -0.029 0.000 1.186 473 A CA 1.798 53.889 52.037 0.090 0.000 0.616 473 A CB -0.930 18.158 19.000 0.147 0.000 0.823 473 A HN 0.635 nan 8.150 nan 0.000 0.442 474 E N -0.100 120.092 120.200 -0.013 0.000 2.160 474 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 474 E C 1.803 178.352 176.600 -0.086 0.000 0.991 474 E CA 1.240 57.619 56.400 -0.035 0.000 0.810 474 E CB -0.072 29.612 29.700 -0.026 0.000 0.742 474 E HN 0.543 nan 8.360 nan 0.000 0.466 475 K N -0.074 120.244 120.400 -0.137 0.000 2.362 475 K HA -0.101 4.219 4.320 -0.000 0.000 0.200 475 K C 1.536 178.014 176.600 -0.204 0.000 1.046 475 K CA 0.225 56.409 56.287 -0.172 0.000 0.952 475 K CB 0.116 32.485 32.500 -0.218 0.000 0.753 475 K HN 0.169 nan 8.250 nan 0.000 0.466 476 L N 0.088 121.164 121.223 -0.244 0.000 2.465 476 L HA -0.002 4.338 4.340 -0.000 0.000 0.224 476 L C 1.243 178.019 176.870 -0.157 0.000 1.145 476 L CA 1.319 56.004 54.840 -0.259 0.000 0.834 476 L CB -1.039 40.777 42.059 -0.406 0.000 0.944 476 L HN 0.428 nan 8.230 nan 0.000 0.451 477 G N -0.204 108.533 108.800 -0.105 0.000 2.198 477 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.257 477 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.257 477 G C 0.424 175.301 174.900 -0.038 0.000 1.042 477 G CA 0.366 45.430 45.100 -0.062 0.000 0.791 477 G HN 0.410 nan 8.290 nan 0.000 0.502 478 V N -3.168 116.731 119.914 -0.026 0.000 3.133 478 V HA 0.600 4.720 4.120 -0.000 0.000 0.305 478 V C 1.221 177.300 176.094 -0.024 0.000 1.084 478 V CA 0.370 62.676 62.300 0.011 0.000 1.089 478 V CB 1.188 33.054 31.823 0.072 0.000 1.073 478 V HN 0.069 nan 8.190 nan 0.000 0.477 479 D N -0.173 120.171 120.400 -0.094 0.000 2.249 479 D HA 0.092 4.732 4.640 -0.000 0.000 0.205 479 D C -0.284 175.878 176.300 -0.231 0.000 0.962 479 D CA 1.656 55.493 54.000 -0.271 0.000 0.860 479 D CB 0.050 40.529 40.800 -0.535 0.000 0.955 479 D HN 0.679 nan 8.370 nan 0.000 0.505 480 Y N -0.488 119.886 120.300 0.122 0.000 2.504 480 Y HA 0.475 5.025 4.550 -0.000 0.000 0.344 480 Y C -0.323 175.682 175.900 0.174 0.000 1.023 480 Y CA -1.011 57.188 58.100 0.163 0.000 1.020 480 Y CB 1.690 40.288 38.460 0.229 0.000 1.282 480 Y HN -0.322 nan 8.280 nan 0.000 0.454 481 I N 3.359 124.148 120.570 0.366 0.000 2.418 481 I HA 0.538 4.708 4.170 -0.000 0.000 0.287 481 I C -1.076 175.193 176.117 0.253 0.000 1.008 481 I CA -0.943 60.547 61.300 0.317 0.000 1.104 481 I CB 1.669 39.890 38.000 0.368 0.000 1.264 481 I HN 0.242 nan 8.210 nan 0.000 0.438 482 V N 4.927 124.923 119.914 0.136 0.000 2.409 482 V HA 0.325 4.445 4.120 -0.000 0.000 0.291 482 V C -0.576 175.560 176.094 0.071 0.000 1.020 482 V CA -0.584 61.701 62.300 -0.024 0.000 0.848 482 V CB 1.729 33.415 31.823 -0.228 0.000 0.990 482 V HN 0.840 nan 8.190 nan 0.000 0.430 483 D N 4.098 124.569 120.400 0.118 0.000 2.272 483 D HA 0.697 5.337 4.640 -0.000 0.000 0.247 483 D C -0.573 175.806 176.300 0.132 0.000 0.990 483 D CA -0.614 53.499 54.000 0.189 0.000 0.931 483 D CB 2.462 43.460 40.800 0.331 0.000 1.195 483 D HN 0.517 nan 8.370 nan 0.000 0.477 484 I N 0.153 120.792 120.570 0.115 0.000 2.607 484 I HA 0.709 4.879 4.170 -0.000 0.000 0.290 484 I C -1.890 174.271 176.117 0.073 0.000 1.129 484 I CA -0.585 60.758 61.300 0.071 0.000 1.042 484 I CB 1.419 39.447 38.000 0.046 0.000 1.242 484 I HN 0.802 nan 8.210 nan 0.000 0.421 485 A N 3.357 126.214 122.820 0.061 0.000 2.555 485 A HA 0.524 4.844 4.320 -0.000 0.000 0.297 485 A C -0.416 177.162 177.584 -0.011 0.000 1.060 485 A CA -0.386 51.677 52.037 0.044 0.000 0.710 485 A CB 1.253 20.342 19.000 0.149 0.000 1.282 485 A HN 0.702 nan 8.150 nan 0.000 0.399 486 T N 1.351 115.835 114.554 -0.118 0.000 4.313 486 T HA 0.285 4.635 4.350 -0.000 0.000 0.272 486 T C 0.857 175.527 174.700 -0.049 0.000 1.298 486 T CA -0.022 61.972 62.100 -0.178 0.000 1.124 486 T CB -0.453 68.070 68.868 -0.576 0.000 1.352 486 T HN 0.540 nan 8.240 nan 0.000 1.013 487 L N 2.502 123.753 121.223 0.046 0.000 2.102 487 L HA 0.253 4.593 4.340 -0.000 0.000 0.202 487 L C 1.234 178.153 176.870 0.081 0.000 1.076 487 L CA 1.323 56.212 54.840 0.082 0.000 0.761 487 L CB -0.097 42.065 42.059 0.171 0.000 0.921 487 L HN 0.798 nan 8.230 nan 0.000 0.444 488 T N -4.468 110.150 114.554 0.107 0.000 2.879 488 T HA 0.491 4.841 4.350 -0.000 0.000 0.290 488 T C 0.916 175.697 174.700 0.136 0.000 0.993 488 T CA -0.317 61.845 62.100 0.103 0.000 0.975 488 T CB 1.325 70.250 68.868 0.095 0.000 0.981 488 T HN 0.152 nan 8.240 nan 0.000 0.439 489 G N 1.475 110.354 108.800 0.133 0.000 2.479 489 G HA2 0.007 3.967 3.960 -0.000 0.000 0.220 489 G HA3 0.007 3.967 3.960 -0.000 0.000 0.220 489 G C 1.530 176.558 174.900 0.213 0.000 1.115 489 G CA 0.590 45.791 45.100 0.170 0.000 0.757 489 G HN 1.146 nan 8.290 nan 0.000 0.560 490 A N 0.507 123.428 122.820 0.168 0.000 2.070 490 A HA 0.038 4.358 4.320 -0.000 0.000 0.220 490 A C 2.351 180.081 177.584 0.243 0.000 1.159 490 A CA 1.516 53.668 52.037 0.191 0.000 0.656 490 A CB -0.286 18.777 19.000 0.105 0.000 0.800 490 A HN 0.301 nan 8.150 nan 0.000 0.453 491 M N -0.330 119.394 119.600 0.208 0.000 2.149 491 M HA -0.129 4.351 4.480 -0.000 0.000 0.261 491 M C 2.024 178.415 176.300 0.151 0.000 1.064 491 M CA 1.211 56.622 55.300 0.185 0.000 1.102 491 M CB -1.485 31.213 32.600 0.164 0.000 1.369 491 M HN 0.436 nan 8.290 nan 0.000 0.408 492 L N -1.589 119.725 121.223 0.152 0.000 2.137 492 L HA -0.263 4.077 4.340 -0.000 0.000 0.213 492 L C 2.029 178.814 176.870 -0.140 0.000 1.085 492 L CA 1.489 56.329 54.840 -0.001 0.000 0.760 492 L CB -0.756 41.256 42.059 -0.079 0.000 0.893 492 L HN 0.249 nan 8.230 nan 0.000 0.434 493 Y N -1.455 118.857 120.300 0.021 0.000 2.478 493 Y HA -0.031 4.519 4.550 -0.000 0.000 0.261 493 Y C 2.628 178.533 175.900 0.007 0.000 1.127 493 Y CA 0.593 58.697 58.100 0.006 0.000 1.288 493 Y CB -0.006 38.459 38.460 0.008 0.000 1.084 493 Y HN 0.215 nan 8.280 nan 0.000 0.530 494 S N -0.962 114.831 115.700 0.155 0.000 2.433 494 S HA 0.071 4.541 4.470 -0.000 0.000 0.216 494 S C 1.507 176.114 174.600 0.010 0.000 1.031 494 S CA 0.440 58.695 58.200 0.092 0.000 0.931 494 S CB -0.481 62.797 63.200 0.131 0.000 0.875 494 S HN 0.317 nan 8.310 nan 0.000 0.553 495 L N 0.972 122.206 121.223 0.019 0.000 2.609 495 L HA 0.414 4.754 4.340 -0.000 0.000 0.230 495 L C 1.462 178.308 176.870 -0.040 0.000 1.087 495 L CA 0.356 55.176 54.840 -0.033 0.000 0.874 495 L CB -0.081 42.006 42.059 0.046 0.000 1.114 495 L HN 0.732 nan 8.230 nan 0.000 0.488 496 G N 0.951 109.742 108.800 -0.016 0.000 2.527 496 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.227 496 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.227 496 G C 0.541 175.463 174.900 0.037 0.000 1.291 496 G CA 0.106 45.189 45.100 -0.027 0.000 0.904 496 G HN 0.167 nan 8.290 nan 0.000 0.577 497 T N -2.238 112.351 114.554 0.057 0.000 3.081 497 T HA 0.424 4.773 4.350 -0.000 0.000 0.250 497 T C 2.137 176.912 174.700 0.125 0.000 1.100 497 T CA 1.796 63.973 62.100 0.128 0.000 1.038 497 T CB 0.349 69.326 68.868 0.182 0.000 0.962 497 T HN 1.680 nan 8.240 nan 0.000 0.516 498 S N -0.385 115.398 115.700 0.137 0.000 2.545 498 S HA 0.290 4.760 4.470 -0.000 0.000 0.232 498 S C 0.039 174.852 174.600 0.355 0.000 1.070 498 S CA -0.695 57.645 58.200 0.232 0.000 0.923 498 S CB -0.096 63.246 63.200 0.238 0.000 0.806 498 S HN 0.584 nan 8.310 nan 0.000 0.506 499 Y N 1.789 122.103 120.300 0.023 0.000 2.341 499 Y HA 0.691 5.241 4.550 -0.000 0.000 0.337 499 Y C 0.610 176.502 175.900 -0.013 0.000 1.014 499 Y CA -1.059 57.075 58.100 0.058 0.000 1.111 499 Y CB 1.650 40.157 38.460 0.079 0.000 1.194 499 Y HN 0.384 nan 8.280 nan 0.000 0.462 500 A N 2.352 125.195 122.820 0.038 0.000 2.313 500 A HA 0.613 4.933 4.320 -0.000 0.000 0.261 500 A C 0.386 178.033 177.584 0.106 0.000 1.090 500 A CA 0.034 52.051 52.037 -0.033 0.000 0.807 500 A CB 0.092 18.988 19.000 -0.174 0.000 1.055 500 A HN 0.856 nan 8.150 nan 0.000 0.492 501 G N -0.988 107.858 108.800 0.076 0.000 2.356 501 G HA2 0.523 4.483 3.960 -0.000 0.000 0.322 501 G HA3 0.523 4.483 3.960 -0.000 0.000 0.322 501 G C -1.024 173.843 174.900 -0.056 0.000 1.125 501 G CA -0.250 44.870 45.100 0.033 0.000 0.885 501 G HN 1.207 nan 8.290 nan 0.000 0.467 502 V N 2.937 122.750 119.914 -0.169 0.000 2.540 502 V HA 0.835 4.955 4.120 -0.000 0.000 0.302 502 V C -1.319 174.641 176.094 -0.224 0.000 1.035 502 V CA -0.930 61.279 62.300 -0.151 0.000 0.873 502 V CB 1.148 32.880 31.823 -0.152 0.000 0.992 502 V HN 0.552 nan 8.190 nan 0.000 0.428 503 F N 4.279 124.221 119.950 -0.014 0.000 2.563 503 F HA 0.973 5.500 4.527 -0.000 0.000 0.316 503 F C 0.677 176.381 175.800 -0.160 0.000 1.076 503 F CA 0.133 58.180 58.000 0.079 0.000 0.921 503 F CB 2.591 41.680 39.000 0.149 0.000 1.209 503 F HN 0.803 nan 8.300 nan 0.000 0.462 504 G N 0.823 109.689 108.800 0.109 0.000 2.488 504 G HA2 0.256 4.216 3.960 -0.000 0.000 0.301 504 G HA3 0.256 4.216 3.960 -0.000 0.000 0.301 504 G C -1.286 173.709 174.900 0.159 0.000 1.339 504 G CA -0.884 44.120 45.100 -0.160 0.000 0.803 504 G HN 0.606 nan 8.290 nan 0.000 0.482 505 N N -0.414 118.439 118.700 0.255 0.000 2.214 505 N HA 0.122 4.862 4.740 -0.000 0.000 0.214 505 N C -0.057 175.569 175.510 0.193 0.000 1.132 505 N CA -0.338 52.900 53.050 0.313 0.000 0.856 505 N CB 0.599 39.347 38.487 0.434 0.000 1.020 505 N HN 0.486 nan 8.380 nan 0.000 0.509 506 N N 0.365 119.129 118.700 0.107 0.000 2.542 506 N HA 0.011 4.751 4.740 -0.000 0.000 0.288 506 N C -0.485 174.995 175.510 -0.051 0.000 1.115 506 N CA -0.113 52.974 53.050 0.061 0.000 0.924 506 N CB 1.807 40.356 38.487 0.102 0.000 1.526 506 N HN 0.122 nan 8.380 nan 0.000 0.515 507 E N 2.069 122.235 120.200 -0.057 0.000 2.072 507 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 507 E C 1.295 177.760 176.600 -0.224 0.000 0.985 507 E CA 1.343 57.629 56.400 -0.191 0.000 0.801 507 E CB 0.307 29.951 29.700 -0.092 0.000 0.750 507 E HN 0.668 nan 8.360 nan 0.000 0.452 508 E N 1.024 121.159 120.200 -0.107 0.000 2.058 508 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 508 E C 2.274 178.786 176.600 -0.145 0.000 0.997 508 E CA 0.854 57.199 56.400 -0.091 0.000 0.801 508 E CB -0.767 28.934 29.700 0.002 0.000 0.746 508 E HN 0.285 nan 8.360 nan 0.000 0.450 509 L N 1.128 122.263 121.223 -0.146 0.000 2.012 509 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 509 L C 2.448 179.127 176.870 -0.317 0.000 1.073 509 L CA 1.500 56.186 54.840 -0.257 0.000 0.748 509 L CB -0.487 41.447 42.059 -0.209 0.000 0.891 509 L HN 0.046 nan 8.230 nan 0.000 0.431 510 I N 0.084 120.423 120.570 -0.385 0.000 2.226 510 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 510 I C 2.179 178.000 176.117 -0.495 0.000 1.100 510 I CA 1.189 62.157 61.300 -0.554 0.000 1.374 510 I CB -1.602 35.823 38.000 -0.959 0.000 1.057 510 I HN 0.400 nan 8.210 nan 0.000 0.413 511 N N 1.272 119.717 118.700 -0.425 0.000 2.166 511 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 511 N C 1.775 177.170 175.510 -0.193 0.000 1.019 511 N CA 1.092 53.960 53.050 -0.303 0.000 0.856 511 N CB -0.223 38.124 38.487 -0.233 0.000 0.993 511 N HN 0.430 nan 8.380 nan 0.000 0.426 512 K N 0.351 120.660 120.400 -0.152 0.000 2.057 512 K HA 0.001 4.320 4.320 -0.000 0.000 0.207 512 K C 1.805 178.398 176.600 -0.011 0.000 1.049 512 K CA 0.661 56.927 56.287 -0.034 0.000 0.931 512 K CB 0.039 32.575 32.500 0.061 0.000 0.714 512 K HN 0.085 nan 8.250 nan 0.000 0.440 513 I N 1.347 121.820 120.570 -0.162 0.000 2.226 513 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 513 I C 2.183 178.201 176.117 -0.164 0.000 1.100 513 I CA 1.493 62.656 61.300 -0.228 0.000 1.374 513 I CB -1.027 36.751 38.000 -0.370 0.000 1.057 513 I HN 0.175 nan 8.210 nan 0.000 0.413 514 L N 0.253 121.360 121.223 -0.194 0.000 2.093 514 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 514 L C 2.868 179.673 176.870 -0.108 0.000 1.085 514 L CA 1.475 56.216 54.840 -0.165 0.000 0.755 514 L CB -0.928 41.004 42.059 -0.212 0.000 0.904 514 L HN 0.298 nan 8.230 nan 0.000 0.435 515 Q N 0.005 119.751 119.800 -0.090 0.000 2.061 515 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 515 Q C 2.298 178.283 176.000 -0.025 0.000 0.984 515 Q CA 2.222 57.995 55.803 -0.051 0.000 0.846 515 Q CB -0.566 28.147 28.738 -0.042 0.000 0.902 515 Q HN 0.703 nan 8.270 nan 0.000 0.421 516 S N 0.267 115.965 115.700 -0.003 0.000 2.447 516 S HA -0.098 4.372 4.470 -0.000 0.000 0.233 516 S C 2.037 176.623 174.600 -0.024 0.000 1.006 516 S CA 1.153 59.364 58.200 0.019 0.000 0.957 516 S CB -0.483 62.767 63.200 0.083 0.000 0.773 516 S HN 0.683 nan 8.310 nan 0.000 0.507 517 S N 1.635 117.300 115.700 -0.058 0.000 2.406 517 S HA -0.071 4.399 4.470 -0.000 0.000 0.228 517 S C 2.132 176.682 174.600 -0.083 0.000 1.020 517 S CA 1.435 59.584 58.200 -0.084 0.000 0.965 517 S CB -0.391 62.756 63.200 -0.089 0.000 0.798 517 S HN 0.595 nan 8.310 nan 0.000 0.488 518 K N 0.761 121.123 120.400 -0.062 0.000 2.057 518 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 518 K C 2.273 178.846 176.600 -0.045 0.000 1.050 518 K CA 2.033 58.287 56.287 -0.055 0.000 0.935 518 K CB -2.029 30.449 32.500 -0.036 0.000 0.715 518 K HN 0.796 nan 8.250 nan 0.000 0.439 519 T N -1.485 113.059 114.554 -0.017 0.000 3.014 519 T HA -0.090 4.260 4.350 -0.000 0.000 0.263 519 T C 2.214 176.940 174.700 0.043 0.000 1.078 519 T CA 1.567 63.675 62.100 0.014 0.000 1.135 519 T CB -0.221 68.666 68.868 0.031 0.000 0.895 519 T HN 0.533 nan 8.240 nan 0.000 0.480 520 S N 1.625 117.342 115.700 0.028 0.000 2.496 520 S HA 0.037 4.507 4.470 -0.000 0.000 0.224 520 S C 1.127 175.729 174.600 0.003 0.000 0.996 520 S CA 0.280 58.517 58.200 0.062 0.000 0.927 520 S CB -0.680 62.517 63.200 -0.005 0.000 0.774 520 S HN 0.540 nan 8.310 nan 0.000 0.524 521 N N 1.453 120.076 118.700 -0.127 0.000 2.741 521 N HA -0.131 4.609 4.740 -0.000 0.000 0.250 521 N C -1.199 174.163 175.510 -0.246 0.000 1.115 521 N CA 0.993 53.847 53.050 -0.327 0.000 0.724 521 N CB -1.321 36.684 38.487 -0.803 0.000 1.090 521 N HN 0.721 nan 8.380 nan 0.000 0.558 522 E N 1.066 121.160 120.200 -0.177 0.000 2.028 522 E HA 0.230 4.580 4.350 -0.000 0.000 0.266 522 E C -2.346 174.186 176.600 -0.113 0.000 0.962 522 E CA -1.558 54.707 56.400 -0.225 0.000 0.784 522 E CB 1.002 30.365 29.700 -0.562 0.000 1.114 522 E HN 0.120 nan 8.360 nan 0.000 0.414 523 P HA 0.051 nan 4.420 nan 0.000 0.271 523 P C -0.486 176.722 177.300 -0.154 0.000 1.220 523 P CA -0.041 62.847 63.100 -0.354 0.000 0.768 523 P CB 0.991 32.086 31.700 -1.008 0.000 0.848 524 V N 4.167 124.013 119.914 -0.114 0.000 2.876 524 V HA 0.494 4.614 4.120 -0.000 0.000 0.312 524 V C -0.895 175.332 176.094 0.222 0.000 1.085 524 V CA -0.599 61.748 62.300 0.079 0.000 0.945 524 V CB 3.016 34.861 31.823 0.038 0.000 1.017 524 V HN 0.641 nan 8.190 nan 0.000 0.428 525 W N 3.452 124.806 121.300 0.090 0.000 2.785 525 W HA 0.396 5.056 4.660 -0.000 0.000 0.333 525 W C -1.489 175.076 176.519 0.077 0.000 1.062 525 W CA -0.871 56.556 57.345 0.138 0.000 1.233 525 W CB 2.034 31.619 29.460 0.209 0.000 1.413 525 W HN 0.742 nan 8.180 nan 0.000 0.489 526 W N 7.579 128.616 121.300 -0.438 0.000 2.356 526 W HA 0.448 5.108 4.660 -0.000 0.000 0.311 526 W C -1.307 175.062 176.519 -0.250 0.000 1.328 526 W CA -0.493 56.630 57.345 -0.371 0.000 1.251 526 W CB 0.025 29.244 29.460 -0.402 0.000 1.280 526 W HN 0.174 nan 8.180 nan 0.000 0.524 527 L N 9.216 130.272 121.223 -0.278 0.000 2.333 527 L HA 0.522 4.862 4.340 -0.000 0.000 0.269 527 L C -1.712 174.896 176.870 -0.437 0.000 1.010 527 L CA -2.275 52.300 54.840 -0.442 0.000 0.818 527 L CB 2.433 44.079 42.059 -0.688 0.000 1.306 527 L HN 0.269 nan 8.230 nan 0.000 0.430 528 P HA 0.243 nan 4.420 nan 0.000 0.282 528 P C -0.883 176.561 177.300 0.239 0.000 1.249 528 P CA -0.242 62.803 63.100 -0.092 0.000 0.806 528 P CB 1.219 32.843 31.700 -0.128 0.000 0.984 529 I N 3.663 124.387 120.570 0.256 0.000 2.287 529 I HA 0.266 4.436 4.170 -0.000 0.000 0.290 529 I C 0.600 176.779 176.117 0.104 0.000 1.069 529 I CA -0.560 60.907 61.300 0.277 0.000 1.237 529 I CB 0.230 38.429 38.000 0.331 0.000 1.418 529 I HN 0.115 nan 8.210 nan 0.000 0.481 530 I N 6.627 127.197 120.570 -0.000 0.000 2.291 530 I HA 0.117 4.287 4.170 -0.000 0.000 0.292 530 I C 1.193 177.176 176.117 -0.224 0.000 1.064 530 I CA -0.223 60.941 61.300 -0.227 0.000 1.269 530 I CB 0.494 38.146 38.000 -0.580 0.000 1.418 530 I HN 0.552 nan 8.210 nan 0.000 0.485 531 N N 4.204 122.835 118.700 -0.114 0.000 2.309 531 N HA -0.178 4.562 4.740 -0.000 0.000 0.182 531 N C 1.588 177.067 175.510 -0.052 0.000 1.018 531 N CA 0.838 53.862 53.050 -0.043 0.000 0.876 531 N CB 0.080 38.563 38.487 -0.008 0.000 0.972 531 N HN 0.610 nan 8.380 nan 0.000 0.434 532 E N 0.099 120.219 120.200 -0.132 0.000 2.267 532 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 532 E C 0.773 177.429 176.600 0.093 0.000 0.998 532 E CA 0.854 57.220 56.400 -0.057 0.000 0.830 532 E CB -0.038 29.610 29.700 -0.087 0.000 0.751 532 E HN 0.579 nan 8.360 nan 0.000 0.491 533 Y N -1.169 119.161 120.300 0.050 0.000 2.511 533 Y HA 0.037 4.587 4.550 -0.000 0.000 0.279 533 Y C 2.201 178.132 175.900 0.052 0.000 1.157 533 Y CA -0.251 57.879 58.100 0.050 0.000 1.300 533 Y CB 0.190 38.685 38.460 0.058 0.000 1.052 533 Y HN -0.020 nan 8.280 nan 0.000 0.529 534 R N 2.078 122.675 120.500 0.162 0.000 2.117 534 R HA -0.185 4.155 4.340 -0.000 0.000 0.243 534 R C 2.092 178.452 176.300 0.101 0.000 1.143 534 R CA 1.618 57.789 56.100 0.117 0.000 0.968 534 R CB -0.777 29.564 30.300 0.069 0.000 0.863 534 R HN 0.235 nan 8.270 nan 0.000 0.444 535 A N -0.561 122.314 122.820 0.092 0.000 2.125 535 A HA -0.107 4.212 4.320 -0.000 0.000 0.219 535 A C 1.948 179.573 177.584 0.068 0.000 1.156 535 A CA 1.708 53.785 52.037 0.067 0.000 0.671 535 A CB -0.980 18.053 19.000 0.054 0.000 0.794 535 A HN 0.635 nan 8.150 nan 0.000 0.459 536 T N -2.446 112.160 114.554 0.087 0.000 3.085 536 T HA 0.133 4.483 4.350 -0.000 0.000 0.263 536 T C 1.300 176.041 174.700 0.069 0.000 1.127 536 T CA 0.755 62.893 62.100 0.064 0.000 1.103 536 T CB -0.366 68.531 68.868 0.049 0.000 0.921 536 T HN 0.335 nan 8.240 nan 0.000 0.510 537 L N 0.698 121.977 121.223 0.092 0.000 2.612 537 L HA 0.278 4.618 4.340 -0.000 0.000 0.230 537 L C 0.190 177.114 176.870 0.090 0.000 1.140 537 L CA -0.375 54.531 54.840 0.111 0.000 0.896 537 L CB -0.455 41.704 42.059 0.167 0.000 1.065 537 L HN 0.132 nan 8.230 nan 0.000 0.447 538 N N 1.007 119.744 118.700 0.061 0.000 2.431 538 N HA 0.017 4.757 4.740 -0.000 0.000 0.265 538 N C -0.040 175.491 175.510 0.036 0.000 1.184 538 N CA 0.293 53.367 53.050 0.040 0.000 0.943 538 N CB 1.116 39.616 38.487 0.022 0.000 1.080 538 N HN -0.064 nan 8.380 nan 0.000 0.477 539 S N 1.392 117.118 115.700 0.043 0.000 2.586 539 S HA 0.165 4.635 4.470 -0.000 0.000 0.274 539 S C 1.331 175.925 174.600 -0.011 0.000 1.281 539 S CA -0.582 57.646 58.200 0.047 0.000 1.035 539 S CB 1.060 64.313 63.200 0.088 0.000 0.962 539 S HN 0.500 nan 8.310 nan 0.000 0.512 540 K N 3.205 123.576 120.400 -0.049 0.000 2.097 540 K HA -0.016 4.304 4.320 -0.000 0.000 0.206 540 K C 0.771 177.115 176.600 -0.428 0.000 1.049 540 K CA 1.996 58.130 56.287 -0.254 0.000 0.933 540 K CB -0.347 31.964 32.500 -0.314 0.000 0.717 540 K HN 0.789 nan 8.250 nan 0.000 0.442 541 Y N -1.187 119.125 120.300 0.021 0.000 2.607 541 Y HA 0.455 5.005 4.550 -0.000 0.000 0.276 541 Y C 0.917 176.834 175.900 0.028 0.000 1.117 541 Y CA 0.064 58.176 58.100 0.021 0.000 1.273 541 Y CB 0.042 38.513 38.460 0.018 0.000 1.282 541 Y HN 0.029 nan 8.280 nan 0.000 0.514 542 A N 0.036 122.958 122.820 0.170 0.000 2.247 542 A HA 0.271 4.591 4.320 -0.000 0.000 0.313 542 A C 0.569 178.204 177.584 0.085 0.000 1.109 542 A CA -0.168 51.945 52.037 0.127 0.000 0.890 542 A CB 0.203 19.286 19.000 0.139 0.000 1.239 542 A HN 0.204 nan 8.150 nan 0.000 0.506 543 D N -0.790 119.657 120.400 0.078 0.000 2.178 543 D HA 0.059 4.699 4.640 -0.000 0.000 0.202 543 D C 0.265 176.598 176.300 0.055 0.000 0.974 543 D CA 1.623 55.650 54.000 0.045 0.000 0.841 543 D CB 0.124 40.938 40.800 0.023 0.000 0.953 543 D HN 0.412 nan 8.370 nan 0.000 0.478 544 I N -0.263 120.374 120.570 0.111 0.000 2.841 544 I HA 0.140 4.310 4.170 -0.000 0.000 0.298 544 I C -1.459 174.782 176.117 0.208 0.000 1.304 544 I CA -0.776 60.615 61.300 0.153 0.000 1.019 544 I CB 2.040 40.138 38.000 0.164 0.000 1.282 544 I HN -0.341 nan 8.210 nan 0.000 0.432 545 N N 4.776 123.590 118.700 0.190 0.000 2.530 545 N HA 0.151 4.891 4.740 -0.000 0.000 0.277 545 N C 0.302 175.914 175.510 0.170 0.000 1.168 545 N CA -0.187 52.956 53.050 0.153 0.000 0.979 545 N CB 1.615 40.160 38.487 0.097 0.000 1.141 545 N HN 0.657 nan 8.380 nan 0.000 0.459 546 Q N 1.464 121.270 119.800 0.010 0.000 2.119 546 Q HA -0.055 4.285 4.340 -0.000 0.000 0.201 546 Q C 0.208 176.043 176.000 -0.274 0.000 0.972 546 Q CA 1.189 56.798 55.803 -0.323 0.000 0.847 546 Q CB 0.165 28.762 28.738 -0.234 0.000 0.903 546 Q HN 0.748 nan 8.270 nan 0.000 0.433 547 I N -4.010 116.502 120.570 -0.097 0.000 3.074 547 I HA 0.483 4.653 4.170 -0.000 0.000 0.310 547 I C -0.624 175.485 176.117 -0.013 0.000 1.153 547 I CA -1.207 60.054 61.300 -0.066 0.000 0.993 547 I CB 2.107 40.066 38.000 -0.069 0.000 1.237 547 I HN -0.268 nan 8.210 nan 0.000 0.443 548 S N 0.806 116.500 115.700 -0.011 0.000 2.585 548 S HA 0.411 4.881 4.470 -0.000 0.000 0.277 548 S C 0.834 175.422 174.600 -0.020 0.000 1.241 548 S CA 0.043 58.240 58.200 -0.005 0.000 1.041 548 S CB 1.146 64.336 63.200 -0.016 0.000 0.987 548 S HN 0.829 nan 8.310 nan 0.000 0.512 549 S N 2.221 117.912 115.700 -0.015 0.000 2.517 549 S HA 0.051 4.521 4.470 -0.000 0.000 0.214 549 S C 1.484 176.065 174.600 -0.031 0.000 0.991 549 S CA 0.462 58.650 58.200 -0.021 0.000 0.906 549 S CB -0.106 63.088 63.200 -0.010 0.000 0.789 549 S HN 0.751 nan 8.310 nan 0.000 0.513 550 S N 0.798 116.475 115.700 -0.038 0.000 2.591 550 S HA 0.287 4.757 4.470 -0.000 0.000 0.235 550 S C 0.462 175.007 174.600 -0.091 0.000 1.074 550 S CA -0.103 58.066 58.200 -0.052 0.000 0.925 550 S CB -0.631 62.546 63.200 -0.038 0.000 0.818 550 S HN 0.216 nan 8.310 nan 0.000 0.535 551 V N 3.480 123.319 119.914 -0.125 0.000 2.508 551 V HA 0.261 4.381 4.120 -0.000 0.000 0.281 551 V C 0.777 176.771 176.094 -0.167 0.000 1.041 551 V CA -0.043 62.121 62.300 -0.225 0.000 1.016 551 V CB 1.078 32.680 31.823 -0.369 0.000 0.984 551 V HN 0.439 nan 8.190 nan 0.000 0.478 552 K N 3.279 123.583 120.400 -0.160 0.000 2.393 552 K HA 0.250 4.570 4.320 -0.000 0.000 0.193 552 K C 1.098 177.648 176.600 -0.084 0.000 1.026 552 K CA 0.462 56.684 56.287 -0.110 0.000 1.064 552 K CB 0.377 32.817 32.500 -0.101 0.000 0.833 552 K HN 0.736 nan 8.250 nan 0.000 0.521 553 A N 1.513 124.272 122.820 -0.102 0.000 3.048 553 A HA 0.083 4.403 4.320 -0.000 0.000 0.264 553 A C 0.998 178.601 177.584 0.032 0.000 1.796 553 A CA -0.030 52.004 52.037 -0.004 0.000 1.445 553 A CB -0.453 18.569 19.000 0.038 0.000 1.074 553 A HN 0.097 nan 8.150 nan 0.000 0.621 554 S N 0.430 116.141 115.700 0.018 0.000 2.383 554 S HA -0.153 4.317 4.470 -0.000 0.000 0.229 554 S C 2.311 176.931 174.600 0.034 0.000 1.030 554 S CA 1.944 60.154 58.200 0.018 0.000 1.002 554 S CB -0.068 63.140 63.200 0.014 0.000 0.829 554 S HN 0.799 nan 8.310 nan 0.000 0.467 555 S N 1.502 117.243 115.700 0.068 0.000 2.382 555 S HA 0.025 4.495 4.470 -0.000 0.000 0.228 555 S C 1.776 176.262 174.600 -0.190 0.000 1.027 555 S CA 0.964 59.172 58.200 0.015 0.000 0.991 555 S CB -0.359 62.963 63.200 0.204 0.000 0.823 555 S HN 0.431 nan 8.310 nan 0.000 0.469 556 I N 1.103 121.687 120.570 0.023 0.000 2.233 556 I HA -0.114 4.056 4.170 -0.000 0.000 0.243 556 I C 2.193 178.372 176.117 0.103 0.000 1.093 556 I CA 0.721 62.077 61.300 0.093 0.000 1.380 556 I CB -0.531 37.681 38.000 0.354 0.000 1.067 556 I HN 0.123 nan 8.210 nan 0.000 0.413 557 V N 1.370 121.360 119.914 0.126 0.000 2.282 557 V HA -0.364 3.756 4.120 -0.000 0.000 0.249 557 V C 2.781 178.940 176.094 0.107 0.000 1.057 557 V CA 2.196 64.571 62.300 0.124 0.000 1.032 557 V CB -1.225 30.641 31.823 0.072 0.000 0.645 557 V HN 0.521 nan 8.190 nan 0.000 0.447 558 A N -0.438 122.406 122.820 0.041 0.000 1.908 558 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 558 A C 2.482 180.103 177.584 0.061 0.000 1.181 558 A CA 2.420 54.480 52.037 0.038 0.000 0.627 558 A CB -0.759 18.234 19.000 -0.011 0.000 0.818 558 A HN 0.522 nan 8.150 nan 0.000 0.445 559 S N -0.281 115.399 115.700 -0.034 0.000 2.368 559 S HA -0.078 4.392 4.470 -0.000 0.000 0.225 559 S C 1.834 176.579 174.600 0.241 0.000 1.030 559 S CA 1.338 59.577 58.200 0.066 0.000 0.999 559 S CB -0.451 62.679 63.200 -0.116 0.000 0.844 559 S HN 0.501 nan 8.310 nan 0.000 0.459 560 L N 0.035 121.375 121.223 0.196 0.000 2.012 560 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 560 L C 2.210 179.181 176.870 0.168 0.000 1.073 560 L CA 1.569 56.521 54.840 0.187 0.000 0.748 560 L CB -0.505 41.664 42.059 0.184 0.000 0.891 560 L HN 0.285 nan 8.230 nan 0.000 0.431 561 F N 0.506 120.506 119.950 0.083 0.000 2.065 561 F HA -0.291 4.236 4.527 -0.000 0.000 0.298 561 F C 2.273 178.175 175.800 0.170 0.000 1.112 561 F CA 1.697 59.769 58.000 0.120 0.000 1.212 561 F CB -0.142 38.922 39.000 0.107 0.000 0.975 561 F HN -0.113 nan 8.300 nan 0.000 0.476 562 L N 0.295 121.624 121.223 0.177 0.000 2.079 562 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 562 L C 2.469 179.134 176.870 -0.342 0.000 1.081 562 L CA 1.885 56.714 54.840 -0.018 0.000 0.752 562 L CB -0.823 41.269 42.059 0.056 0.000 0.896 562 L HN 0.165 nan 8.230 nan 0.000 0.433 563 K N 0.187 120.383 120.400 -0.340 0.000 2.280 563 K HA -0.166 4.154 4.320 -0.000 0.000 0.202 563 K C 1.782 178.154 176.600 -0.379 0.000 1.047 563 K CA 0.931 56.912 56.287 -0.510 0.000 0.942 563 K CB 0.130 32.604 32.500 -0.044 0.000 0.739 563 K HN 0.219 nan 8.250 nan 0.000 0.457 564 E N -0.240 119.747 120.200 -0.355 0.000 2.409 564 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 564 E C 0.533 176.638 176.600 -0.826 0.000 1.024 564 E CA 0.841 56.904 56.400 -0.562 0.000 0.861 564 E CB 0.034 29.291 29.700 -0.738 0.000 0.788 564 E HN 0.396 nan 8.360 nan 0.000 0.521 565 F N -0.313 119.381 119.950 -0.426 0.000 2.639 565 F HA 0.135 4.662 4.527 -0.000 0.000 0.302 565 F C 0.294 175.898 175.800 -0.326 0.000 1.097 565 F CA -0.145 57.649 58.000 -0.344 0.000 1.294 565 F CB 0.942 39.745 39.000 -0.328 0.000 1.027 565 F HN -0.321 nan 8.300 nan 0.000 0.550 566 V N 0.668 120.409 119.914 -0.289 0.000 2.409 566 V HA 0.193 4.313 4.120 -0.000 0.000 0.290 566 V C 0.237 176.228 176.094 -0.172 0.000 1.017 566 V CA -0.521 61.633 62.300 -0.243 0.000 0.841 566 V CB 1.550 33.147 31.823 -0.377 0.000 1.003 566 V HN 0.192 nan 8.190 nan 0.000 0.426 567 Q N 2.122 121.854 119.800 -0.113 0.000 2.297 567 Q HA 0.223 4.563 4.340 -0.000 0.000 0.203 567 Q C 0.852 176.826 176.000 -0.043 0.000 0.931 567 Q CA 0.588 56.336 55.803 -0.091 0.000 0.885 567 Q CB 0.443 29.130 28.738 -0.084 0.000 0.991 567 Q HN 0.689 nan 8.270 nan 0.000 0.498 568 N N -0.067 118.621 118.700 -0.020 0.000 2.453 568 N HA 0.118 4.858 4.740 -0.000 0.000 0.267 568 N C -1.415 174.115 175.510 0.033 0.000 1.482 568 N CA 0.224 53.278 53.050 0.006 0.000 0.841 568 N CB 1.633 40.115 38.487 -0.008 0.000 1.408 568 N HN -0.042 nan 8.380 nan 0.000 0.490 569 T N 0.046 114.641 114.554 0.067 0.000 2.912 569 T HA 0.514 4.864 4.350 -0.000 0.000 0.299 569 T C -0.220 174.599 174.700 0.198 0.000 1.052 569 T CA -0.468 61.697 62.100 0.107 0.000 0.996 569 T CB 2.362 71.287 68.868 0.095 0.000 1.070 569 T HN 0.173 nan 8.240 nan 0.000 0.465 570 A N 2.342 125.300 122.820 0.228 0.000 2.520 570 A HA 0.484 4.804 4.320 -0.000 0.000 0.245 570 A C -0.759 177.055 177.584 0.383 0.000 1.072 570 A CA -0.029 52.187 52.037 0.300 0.000 0.761 570 A CB -0.266 18.953 19.000 0.366 0.000 1.004 570 A HN 0.869 nan 8.150 nan 0.000 0.499 571 W N 2.105 123.476 121.300 0.119 0.000 3.274 571 W HA 0.592 5.252 4.660 -0.000 0.000 0.327 571 W C -0.724 175.843 176.519 0.080 0.000 1.172 571 W CA 0.161 57.567 57.345 0.101 0.000 1.217 571 W CB 1.130 30.650 29.460 0.100 0.000 1.376 571 W HN 0.992 nan 8.180 nan 0.000 0.507 572 A N 3.483 125.815 122.820 -0.813 0.000 2.527 572 A HA 0.730 5.050 4.320 -0.000 0.000 0.293 572 A C -2.212 174.863 177.584 -0.849 0.000 1.117 572 A CA -0.691 50.815 52.037 -0.885 0.000 0.723 572 A CB 1.768 20.473 19.000 -0.491 0.000 1.313 572 A HN 1.012 nan 8.150 nan 0.000 0.411 573 H N 0.265 118.957 119.070 -0.629 0.000 2.840 573 H HA 0.636 5.192 4.556 -0.000 0.000 0.340 573 H C -1.782 173.544 175.328 -0.003 0.000 1.004 573 H CA -0.618 55.281 56.048 -0.248 0.000 1.288 573 H CB 0.626 30.294 29.762 -0.157 0.000 1.607 573 H HN 0.487 nan 8.280 nan 0.000 0.522 574 I N 4.374 124.772 120.570 -0.286 0.000 2.312 574 I HA 0.168 4.338 4.170 -0.000 0.000 0.290 574 I C -0.253 175.698 176.117 -0.276 0.000 1.008 574 I CA -0.634 60.535 61.300 -0.219 0.000 1.226 574 I CB 1.130 39.081 38.000 -0.082 0.000 1.371 574 I HN 0.582 nan 8.210 nan 0.000 0.468 575 D N 7.779 128.046 120.400 -0.222 0.000 2.359 575 D HA 0.258 4.898 4.640 -0.000 0.000 0.230 575 D C 0.501 176.785 176.300 -0.027 0.000 1.118 575 D CA -0.342 53.601 54.000 -0.095 0.000 0.844 575 D CB 1.130 41.969 40.800 0.066 0.000 1.059 575 D HN 0.572 nan 8.370 nan 0.000 0.493 576 I N 0.952 121.495 120.570 -0.045 0.000 3.914 576 I HA 0.369 4.539 4.170 -0.000 0.000 0.333 576 I C 1.509 177.596 176.117 -0.050 0.000 1.449 576 I CA -0.575 60.656 61.300 -0.114 0.000 1.135 576 I CB 0.603 38.530 38.000 -0.122 0.000 1.073 576 I HN 0.209 nan 8.210 nan 0.000 0.401 577 A N 1.884 124.720 122.820 0.028 0.000 1.978 577 A HA -0.046 4.274 4.320 -0.000 0.000 0.220 577 A C 2.282 180.023 177.584 0.262 0.000 1.170 577 A CA 2.018 54.139 52.037 0.141 0.000 0.636 577 A CB -1.158 17.942 19.000 0.166 0.000 0.810 577 A HN 0.571 nan 8.150 nan 0.000 0.448 578 G N -0.763 108.135 108.800 0.164 0.000 2.453 578 G HA2 0.049 4.009 3.960 -0.000 0.000 0.215 578 G HA3 0.049 4.009 3.960 -0.000 0.000 0.215 578 G C 1.418 176.428 174.900 0.183 0.000 1.147 578 G CA 1.340 46.554 45.100 0.190 0.000 0.802 578 G HN 0.960 nan 8.290 nan 0.000 0.535 579 V N -1.597 118.322 119.914 0.008 0.000 3.354 579 V HA 0.155 4.275 4.120 -0.000 0.000 0.258 579 V C 2.463 178.554 176.094 -0.005 0.000 1.159 579 V CA 1.596 63.833 62.300 -0.104 0.000 1.125 579 V CB 0.253 31.705 31.823 -0.620 0.000 0.774 579 V HN 0.294 nan 8.190 nan 0.000 0.464 580 S N -0.546 115.222 115.700 0.112 0.000 2.387 580 S HA -0.091 4.379 4.470 -0.000 0.000 0.226 580 S C 0.693 175.468 174.600 0.292 0.000 1.026 580 S CA 0.214 58.531 58.200 0.196 0.000 0.972 580 S CB -0.221 63.076 63.200 0.161 0.000 0.814 580 S HN 0.798 nan 8.310 nan 0.000 0.477 581 W N 3.061 124.409 121.300 0.079 0.000 2.390 581 W HA 0.418 5.078 4.660 -0.000 0.000 0.312 581 W C -0.535 175.782 176.519 -0.337 0.000 1.123 581 W CA -0.915 56.294 57.345 -0.227 0.000 1.202 581 W CB 0.774 29.829 29.460 -0.676 0.000 1.251 581 W HN 0.163 nan 8.180 nan 0.000 0.511 582 N N 5.479 123.774 118.700 -0.675 0.000 2.482 582 N HA 0.034 4.774 4.740 -0.000 0.000 0.242 582 N C 0.558 175.832 175.510 -0.392 0.000 1.100 582 N CA 0.020 52.846 53.050 -0.374 0.000 0.946 582 N CB -0.071 38.257 38.487 -0.266 0.000 1.227 582 N HN 0.296 nan 8.380 nan 0.000 0.508 583 F N 2.615 122.600 119.950 0.057 0.000 2.186 583 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 583 F C 2.505 178.358 175.800 0.089 0.000 1.090 583 F CA 1.712 59.821 58.000 0.182 0.000 1.307 583 F CB -0.377 38.733 39.000 0.183 0.000 1.019 583 F HN 0.511 nan 8.300 nan 0.000 0.489 584 K N 0.443 120.972 120.400 0.215 0.000 2.057 584 K HA 0.152 4.471 4.320 -0.000 0.000 0.206 584 K C 2.058 178.700 176.600 0.070 0.000 1.050 584 K CA 1.343 57.707 56.287 0.129 0.000 0.935 584 K CB -1.533 31.027 32.500 0.100 0.000 0.715 584 K HN 0.326 nan 8.250 nan 0.000 0.439 585 A N -0.280 122.546 122.820 0.009 0.000 2.218 585 A HA 0.301 4.621 4.320 -0.000 0.000 0.209 585 A C 0.986 178.527 177.584 -0.072 0.000 1.168 585 A CA 0.735 52.754 52.037 -0.031 0.000 0.804 585 A CB -0.047 18.923 19.000 -0.049 0.000 0.834 585 A HN 0.572 nan 8.150 nan 0.000 0.482 586 R N -1.068 119.386 120.500 -0.076 0.000 3.531 586 R HA -0.187 4.153 4.340 -0.000 0.000 0.280 586 R C -0.274 175.868 176.300 -0.265 0.000 1.130 586 R CA 1.466 57.574 56.100 0.013 0.000 0.757 586 R CB -2.199 28.175 30.300 0.124 0.000 1.218 586 R HN 0.839 nan 8.270 nan 0.000 0.454 587 K N -2.361 117.534 120.400 -0.842 0.000 2.548 587 K HA 0.627 4.947 4.320 -0.000 0.000 0.282 587 K C -3.197 172.558 176.600 -1.408 0.000 1.006 587 K CA -2.437 53.262 56.287 -0.980 0.000 0.892 587 K CB 2.454 34.734 32.500 -0.367 0.000 1.499 587 K HN -0.300 nan 8.250 nan 0.000 0.433 588 P HA 0.117 nan 4.420 nan 0.000 0.272 588 P C -0.333 176.900 177.300 -0.111 0.000 1.230 588 P CA -0.445 62.428 63.100 -0.378 0.000 0.788 588 P CB 0.565 32.240 31.700 -0.042 0.000 0.949 589 K N 0.797 121.183 120.400 -0.023 0.000 2.323 589 K HA 0.105 4.425 4.320 -0.000 0.000 0.197 589 K C 1.072 177.607 176.600 -0.108 0.000 1.043 589 K CA 0.684 56.971 56.287 -0.000 0.000 0.997 589 K CB -0.384 32.174 32.500 0.097 0.000 0.807 589 K HN 0.834 nan 8.250 nan 0.000 0.497 590 G N 2.635 111.427 108.800 -0.012 0.000 2.273 590 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.280 590 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.280 590 G C -0.121 174.758 174.900 -0.036 0.000 1.047 590 G CA -0.057 45.010 45.100 -0.054 0.000 0.869 590 G HN 0.355 nan 8.290 nan 0.000 0.502 591 F N 0.433 120.338 119.950 -0.076 0.000 2.578 591 F HA 0.406 4.933 4.527 -0.000 0.000 0.376 591 F C 1.544 177.312 175.800 -0.053 0.000 1.085 591 F CA 1.684 59.650 58.000 -0.056 0.000 1.260 591 F CB 0.696 39.690 39.000 -0.011 0.000 1.095 591 F HN 0.926 nan 8.300 nan 0.000 0.573 592 G N 3.230 111.737 108.800 -0.490 0.000 2.232 592 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.226 592 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.226 592 G C 0.756 175.543 174.900 -0.188 0.000 0.996 592 G CA 0.066 45.009 45.100 -0.263 0.000 0.626 592 G HN 0.670 nan 8.290 nan 0.000 0.509 593 V N 1.184 120.989 119.914 -0.182 0.000 2.295 593 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 593 V C 2.881 178.814 176.094 -0.267 0.000 1.049 593 V CA 2.882 65.087 62.300 -0.158 0.000 1.024 593 V CB -0.563 31.175 31.823 -0.141 0.000 0.648 593 V HN 0.515 nan 8.190 nan 0.000 0.447 594 R N -0.524 119.771 120.500 -0.342 0.000 2.073 594 R HA -0.083 4.257 4.340 -0.000 0.000 0.229 594 R C 2.241 178.381 176.300 -0.267 0.000 1.120 594 R CA 1.298 57.129 56.100 -0.449 0.000 0.967 594 R CB -0.582 29.559 30.300 -0.266 0.000 0.862 594 R HN 0.402 nan 8.270 nan 0.000 0.436 595 L N 1.233 122.316 121.223 -0.234 0.000 1.990 595 L HA -0.189 4.151 4.340 -0.000 0.000 0.213 595 L C 1.934 178.770 176.870 -0.057 0.000 1.072 595 L CA 1.795 56.543 54.840 -0.152 0.000 0.755 595 L CB -0.378 41.559 42.059 -0.203 0.000 0.889 595 L HN 0.141 nan 8.230 nan 0.000 0.432 596 L N -1.343 119.845 121.223 -0.059 0.000 2.093 596 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 596 L C 2.332 179.267 176.870 0.109 0.000 1.085 596 L CA 1.560 56.432 54.840 0.053 0.000 0.755 596 L CB -0.876 41.215 42.059 0.053 0.000 0.904 596 L HN 0.322 nan 8.230 nan 0.000 0.435 597 T N -1.142 113.398 114.554 -0.022 0.000 2.737 597 T HA -0.135 4.215 4.350 -0.000 0.000 0.265 597 T C 1.774 176.508 174.700 0.056 0.000 1.038 597 T CA 0.933 63.015 62.100 -0.029 0.000 1.144 597 T CB -0.096 68.616 68.868 -0.260 0.000 0.866 597 T HN 0.250 nan 8.240 nan 0.000 0.434 598 E N 0.820 121.058 120.200 0.063 0.000 2.070 598 E HA -0.144 4.206 4.350 -0.000 0.000 0.197 598 E C 1.894 178.557 176.600 0.104 0.000 1.004 598 E CA 1.068 57.540 56.400 0.121 0.000 0.805 598 E CB -0.521 29.246 29.700 0.113 0.000 0.744 598 E HN 0.517 nan 8.360 nan 0.000 0.451 599 F N 1.700 121.630 119.950 -0.034 0.000 2.095 599 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 599 F C 2.365 178.151 175.800 -0.024 0.000 1.104 599 F CA 1.842 59.811 58.000 -0.053 0.000 1.232 599 F CB -0.490 38.463 39.000 -0.078 0.000 0.987 599 F HN -0.064 nan 8.300 nan 0.000 0.475 600 V N -1.323 118.508 119.914 -0.138 0.000 2.515 600 V HA -0.174 3.946 4.120 -0.000 0.000 0.250 600 V C 2.136 178.142 176.094 -0.147 0.000 1.058 600 V CA 1.538 63.701 62.300 -0.228 0.000 1.064 600 V CB -1.149 30.647 31.823 -0.045 0.000 0.675 600 V HN 0.321 nan 8.190 nan 0.000 0.461 601 L N 1.941 123.129 121.223 -0.059 0.000 2.275 601 L HA 0.073 4.413 4.340 -0.000 0.000 0.215 601 L C 2.815 179.658 176.870 -0.046 0.000 1.119 601 L CA 2.131 56.959 54.840 -0.020 0.000 0.790 601 L CB -1.642 40.444 42.059 0.045 0.000 0.919 601 L HN 0.692 nan 8.230 nan 0.000 0.443 602 N N -1.098 117.550 118.700 -0.088 0.000 2.402 602 N HA 0.139 4.879 4.740 -0.000 0.000 0.174 602 N C 0.876 176.303 175.510 -0.138 0.000 1.027 602 N CA 0.916 53.910 53.050 -0.092 0.000 0.891 602 N CB -0.593 37.853 38.487 -0.068 0.000 1.016 602 N HN 0.469 nan 8.380 nan 0.000 0.439 603 D N 0.000 120.237 120.400 -0.271 0.000 6.856 603 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 603 D CA 0.000 53.843 54.000 -0.261 0.000 0.868 603 D CB 0.000 40.464 40.800 -0.561 0.000 0.688 603 D HN 0.000 nan 8.370 nan 0.000 0.683