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 3kr5_1_I DATA FIRST_RESID 86 DATA SEQUENCE SEVPQVVSLD PTSIPIEYNT PIHDIKVQVY DIKGGCNVEE GLTIFLVNNP DATA SEQUENCE GKENGPVKIS SKVNDKQVSE FLKDENMEKF NVKLGTSKHF YMFNDNKNSV DATA SEQUENCE AVGYVGCGSV ADLSEADMKR VVLSLVTMLH DNKLSKLTVV FEINVDKNLF DATA SEQUENCE RFFLETLFYE YMTDERFKST DKNVNMEYIK 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 0.000 174.638 174.600 0.063 0.000 1.055 86 S CA 0.000 58.242 58.200 0.071 0.000 1.107 86 S CB 0.000 63.242 63.200 0.070 0.000 0.593 87 E N 2.703 122.940 120.200 0.062 0.000 2.167 87 E HA 0.435 4.785 4.350 -0.000 0.000 0.284 87 E C -0.885 175.759 176.600 0.073 0.000 1.016 87 E CA -0.266 56.169 56.400 0.057 0.000 0.817 87 E CB 1.144 30.873 29.700 0.047 0.000 1.080 87 E HN 0.204 nan 8.360 nan 0.000 0.397 88 V N 8.013 127.972 119.914 0.074 0.000 2.403 88 V HA 0.108 4.228 4.120 -0.000 0.000 0.265 88 V C -1.867 174.300 176.094 0.122 0.000 1.034 88 V CA -1.150 61.215 62.300 0.109 0.000 1.036 88 V CB -0.011 31.858 31.823 0.076 0.000 1.032 88 V HN 0.712 nan 8.190 nan 0.000 0.478 89 P HA 0.273 nan 4.420 nan 0.000 0.271 89 P C -0.542 176.795 177.300 0.062 0.000 1.218 89 P CA -0.210 62.928 63.100 0.062 0.000 0.780 89 P CB 0.846 32.539 31.700 -0.011 0.000 0.901 90 Q N 0.359 120.163 119.800 0.006 0.000 2.445 90 Q HA 0.453 4.793 4.340 -0.000 0.000 0.281 90 Q C 0.231 176.207 176.000 -0.040 0.000 1.101 90 Q CA -0.978 54.824 55.803 -0.001 0.000 0.833 90 Q CB 2.201 30.939 28.738 -0.001 0.000 1.416 90 Q HN 0.071 nan 8.270 nan 0.000 0.451 91 V N -0.304 119.586 119.914 -0.040 0.000 3.484 91 V HA 0.145 4.265 4.120 -0.000 0.000 0.252 91 V C -0.112 175.961 176.094 -0.035 0.000 1.282 91 V CA 0.179 62.450 62.300 -0.049 0.000 1.104 91 V CB 1.706 33.493 31.823 -0.060 0.000 0.868 91 V HN 0.599 nan 8.190 nan 0.000 0.457 92 V N -2.378 117.518 119.914 -0.030 0.000 3.049 92 V HA 0.556 4.676 4.120 -0.000 0.000 0.309 92 V C 1.057 177.138 176.094 -0.022 0.000 1.148 92 V CA 0.150 62.435 62.300 -0.024 0.000 0.990 92 V CB 1.493 33.301 31.823 -0.024 0.000 1.039 92 V HN 0.188 nan 8.190 nan 0.000 0.430 93 S N 2.404 118.095 115.700 -0.016 0.000 2.440 93 S HA -0.118 4.352 4.470 -0.000 0.000 0.238 93 S C 1.454 176.045 174.600 -0.015 0.000 1.010 93 S CA 1.763 59.956 58.200 -0.012 0.000 0.972 93 S CB -0.820 62.376 63.200 -0.007 0.000 0.774 93 S HN 0.806 nan 8.310 nan 0.000 0.501 94 L N 1.012 122.223 121.223 -0.019 0.000 2.376 94 L HA 0.071 4.411 4.340 -0.000 0.000 0.219 94 L C 0.300 177.139 176.870 -0.051 0.000 1.133 94 L CA 0.372 55.197 54.840 -0.024 0.000 0.816 94 L CB -0.586 41.463 42.059 -0.017 0.000 0.933 94 L HN 0.231 nan 8.230 nan 0.000 0.449 95 D N 1.726 122.091 120.400 -0.058 0.000 2.425 95 D HA 0.119 4.759 4.640 -0.000 0.000 0.247 95 D C -2.048 174.179 176.300 -0.121 0.000 1.147 95 D CA -1.121 52.822 54.000 -0.096 0.000 0.879 95 D CB 0.727 41.495 40.800 -0.053 0.000 1.179 95 D HN 0.013 nan 8.370 nan 0.000 0.456 96 P HA 0.068 nan 4.420 nan 0.000 0.275 96 P C 0.464 177.685 177.300 -0.132 0.000 1.228 96 P CA -0.241 62.707 63.100 -0.253 0.000 0.786 96 P CB 0.700 31.973 31.700 -0.712 0.000 0.927 97 T N -2.546 111.985 114.554 -0.038 0.000 3.085 97 T HA 0.285 4.635 4.350 -0.000 0.000 0.264 97 T C 0.391 175.110 174.700 0.031 0.000 1.019 97 T CA -0.200 61.904 62.100 0.006 0.000 0.910 97 T CB -0.484 68.396 68.868 0.020 0.000 1.059 97 T HN 0.547 nan 8.240 nan 0.000 0.542 98 S N 0.337 116.072 115.700 0.058 0.000 2.565 98 S HA 0.657 5.127 4.470 -0.000 0.000 0.269 98 S C -1.012 173.688 174.600 0.166 0.000 1.153 98 S CA -1.208 57.044 58.200 0.087 0.000 0.835 98 S CB 0.692 63.939 63.200 0.078 0.000 1.122 98 S HN 0.272 nan 8.310 nan 0.000 0.462 99 I N 2.754 123.401 120.570 0.128 0.000 2.452 99 I HA 0.288 4.458 4.170 -0.000 0.000 0.287 99 I C -2.001 174.149 176.117 0.055 0.000 1.079 99 I CA -1.836 59.548 61.300 0.139 0.000 1.387 99 I CB 0.487 38.515 38.000 0.048 0.000 1.404 99 I HN 0.462 nan 8.210 nan 0.000 0.522 100 P HA 0.151 nan 4.420 nan 0.000 0.261 100 P C -0.593 176.601 177.300 -0.176 0.000 1.203 100 P CA 0.373 63.398 63.100 -0.125 0.000 0.767 100 P CB 0.485 31.983 31.700 -0.336 0.000 0.785 101 I N 2.553 123.033 120.570 -0.151 0.000 2.389 101 I HA 0.193 4.363 4.170 -0.000 0.000 0.288 101 I C 0.793 176.759 176.117 -0.252 0.000 0.999 101 I CA -0.616 60.516 61.300 -0.280 0.000 1.129 101 I CB 1.796 39.549 38.000 -0.412 0.000 1.288 101 I HN 0.275 nan 8.210 nan 0.000 0.444 102 E N 5.952 126.049 120.200 -0.173 0.000 2.052 102 E HA 0.138 4.488 4.350 -0.000 0.000 0.283 102 E C -0.425 176.196 176.600 0.035 0.000 1.071 102 E CA 0.005 56.388 56.400 -0.029 0.000 0.851 102 E CB 0.623 30.346 29.700 0.038 0.000 1.066 102 E HN 0.540 nan 8.360 nan 0.000 0.396 103 Y N 2.965 123.318 120.300 0.088 0.000 2.205 103 Y HA 0.010 4.560 4.550 -0.000 0.000 0.292 103 Y C 0.708 176.403 175.900 -0.342 0.000 1.119 103 Y CA 0.436 58.488 58.100 -0.080 0.000 1.117 103 Y CB 0.294 38.667 38.460 -0.145 0.000 1.037 103 Y HN 0.417 nan 8.280 nan 0.000 0.510 104 N N 0.898 119.567 118.700 -0.051 0.000 2.439 104 N HA 0.142 4.882 4.740 -0.000 0.000 0.243 104 N C -0.685 174.801 175.510 -0.041 0.000 1.088 104 N CA -0.199 52.760 53.050 -0.152 0.000 0.940 104 N CB 0.684 39.104 38.487 -0.112 0.000 1.180 104 N HN 0.116 nan 8.380 nan 0.000 0.505 105 T N -0.489 114.100 114.554 0.058 0.000 2.925 105 T HA 0.380 4.730 4.350 -0.000 0.000 0.285 105 T C -1.912 172.694 174.700 -0.157 0.000 1.021 105 T CA -2.286 59.808 62.100 -0.010 0.000 1.042 105 T CB 2.012 70.921 68.868 0.069 0.000 1.037 105 T HN 0.033 nan 8.240 nan 0.000 0.481 106 P HA -0.127 nan 4.420 nan 0.000 0.217 106 P C 1.664 178.655 177.300 -0.514 0.000 1.148 106 P CA 0.707 63.507 63.100 -0.500 0.000 0.834 106 P CB -0.114 30.978 31.700 -1.014 0.000 0.783 107 I N -1.002 119.180 120.570 -0.647 0.000 2.151 107 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 107 I C 2.005 177.717 176.117 -0.675 0.000 1.080 107 I CA 1.863 62.663 61.300 -0.834 0.000 1.339 107 I CB -1.974 35.242 38.000 -1.306 0.000 1.039 107 I HN 0.159 nan 8.210 nan 0.000 0.409 108 H N 0.110 118.965 119.070 -0.358 0.000 2.541 108 H HA -0.132 4.423 4.556 -0.000 0.000 0.289 108 H C 1.390 176.590 175.328 -0.213 0.000 1.054 108 H CA 1.249 57.154 56.048 -0.239 0.000 1.250 108 H CB -0.178 29.483 29.762 -0.169 0.000 1.369 108 H HN 0.423 nan 8.280 nan 0.000 0.578 109 D N -0.405 119.907 120.400 -0.146 0.000 2.354 109 D HA 0.092 4.732 4.640 -0.000 0.000 0.209 109 D C -0.033 176.165 176.300 -0.170 0.000 1.015 109 D CA 0.083 54.002 54.000 -0.134 0.000 0.867 109 D CB 0.449 41.169 40.800 -0.134 0.000 0.933 109 D HN 0.282 nan 8.370 nan 0.000 0.520 110 I N 2.151 122.590 120.570 -0.219 0.000 2.517 110 I HA 0.006 4.176 4.170 -0.000 0.000 0.285 110 I C 0.258 176.294 176.117 -0.135 0.000 1.106 110 I CA -0.085 61.100 61.300 -0.192 0.000 1.402 110 I CB 0.568 38.450 38.000 -0.198 0.000 1.399 110 I HN -0.202 nan 8.210 nan 0.000 0.535 111 K N 6.251 126.576 120.400 -0.125 0.000 2.312 111 K HA 0.475 4.795 4.320 -0.000 0.000 0.287 111 K C -0.875 175.742 176.600 0.029 0.000 1.062 111 K CA -0.569 55.698 56.287 -0.033 0.000 0.934 111 K CB 1.128 33.639 32.500 0.019 0.000 1.027 111 K HN 0.297 nan 8.250 nan 0.000 0.478 112 V N 3.453 123.386 119.914 0.032 0.000 2.513 112 V HA 0.243 4.363 4.120 -0.000 0.000 0.299 112 V C -0.316 175.772 176.094 -0.010 0.000 1.035 112 V CA -0.883 61.449 62.300 0.053 0.000 0.889 112 V CB 1.493 33.377 31.823 0.102 0.000 0.988 112 V HN 0.700 nan 8.190 nan 0.000 0.440 113 Q N 2.925 122.676 119.800 -0.082 0.000 2.331 113 Q HA 0.609 4.949 4.340 -0.000 0.000 0.272 113 Q C -1.395 174.290 176.000 -0.526 0.000 1.062 113 Q CA -0.614 54.994 55.803 -0.324 0.000 0.806 113 Q CB 2.930 31.438 28.738 -0.384 0.000 1.312 113 Q HN 0.519 nan 8.270 nan 0.000 0.431 114 V N 2.731 122.301 119.914 -0.572 0.000 2.483 114 V HA 0.519 4.639 4.120 -0.000 0.000 0.295 114 V C -1.044 174.571 176.094 -0.799 0.000 1.035 114 V CA -0.616 61.351 62.300 -0.555 0.000 0.896 114 V CB 0.822 32.486 31.823 -0.265 0.000 0.986 114 V HN 0.604 nan 8.190 nan 0.000 0.447 115 Y N 0.858 120.965 120.300 -0.322 0.000 2.499 115 Y HA 0.414 4.964 4.550 -0.000 0.000 0.347 115 Y C 0.208 176.044 175.900 -0.107 0.000 0.987 115 Y CA -1.050 56.893 58.100 -0.263 0.000 1.044 115 Y CB 1.260 39.446 38.460 -0.457 0.000 1.245 115 Y HN 0.541 nan 8.280 nan 0.000 0.461 116 D N 2.608 123.095 120.400 0.145 0.000 2.371 116 D HA -0.003 4.637 4.640 -0.000 0.000 0.256 116 D C 1.107 177.550 176.300 0.238 0.000 1.193 116 D CA 0.409 54.488 54.000 0.132 0.000 0.881 116 D CB 1.028 41.883 40.800 0.090 0.000 1.143 116 D HN 0.817 nan 8.370 nan 0.000 0.473 117 I N 4.303 125.012 120.570 0.233 0.000 2.479 117 I HA -0.325 3.845 4.170 -0.000 0.000 0.258 117 I C 2.373 178.592 176.117 0.171 0.000 1.165 117 I CA 1.477 62.931 61.300 0.257 0.000 1.422 117 I CB 0.074 38.183 38.000 0.183 0.000 1.087 117 I HN 0.477 nan 8.210 nan 0.000 0.441 118 K N 0.037 120.517 120.400 0.134 0.000 2.116 118 K HA -0.017 4.303 4.320 -0.000 0.000 0.203 118 K C 1.872 178.523 176.600 0.085 0.000 1.052 118 K CA 1.294 57.635 56.287 0.090 0.000 0.952 118 K CB -0.800 31.740 32.500 0.067 0.000 0.729 118 K HN 0.282 nan 8.250 nan 0.000 0.446 119 G N 1.432 110.298 108.800 0.111 0.000 2.807 119 G HA2 0.240 4.200 3.960 -0.000 0.000 0.207 119 G HA3 0.240 4.200 3.960 -0.000 0.000 0.207 119 G C 0.506 175.456 174.900 0.083 0.000 1.151 119 G CA 0.229 45.386 45.100 0.094 0.000 0.800 119 G HN 0.747 nan 8.290 nan 0.000 0.523 120 G N -1.969 106.876 108.800 0.075 0.000 2.733 120 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.686 120 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.686 120 G C -0.184 174.668 174.900 -0.079 0.000 1.373 120 G CA -0.424 44.682 45.100 0.009 0.000 0.838 120 G HN 0.604 nan 8.290 nan 0.000 0.588 121 C N 2.372 121.533 119.300 -0.231 0.000 2.325 121 C HA 0.546 5.006 4.460 -0.000 0.000 0.347 121 C C 0.525 175.341 174.990 -0.290 0.000 1.263 121 C CA -0.845 57.834 59.018 -0.564 0.000 1.806 121 C CB -0.322 27.185 27.740 -0.389 0.000 2.405 121 C HN 0.664 nan 8.230 nan 0.000 0.537 122 N N 2.514 121.068 118.700 -0.244 0.000 2.455 122 N HA 0.409 5.149 4.740 -0.000 0.000 0.280 122 N C -0.716 174.742 175.510 -0.087 0.000 1.055 122 N CA -0.097 52.895 53.050 -0.098 0.000 0.961 122 N CB 1.502 39.957 38.487 -0.053 0.000 1.121 122 N HN 0.409 nan 8.380 nan 0.000 0.476 123 V N 3.238 123.118 119.914 -0.058 0.000 2.289 123 V HA 0.241 4.361 4.120 -0.000 0.000 0.272 123 V C 0.703 176.773 176.094 -0.040 0.000 1.026 123 V CA -0.323 61.949 62.300 -0.046 0.000 0.807 123 V CB 0.858 32.665 31.823 -0.027 0.000 1.044 123 V HN 0.667 nan 8.190 nan 0.000 0.443 124 E N 3.194 123.372 120.200 -0.036 0.000 2.364 124 E HA 0.190 4.540 4.350 -0.000 0.000 0.203 124 E C 0.298 176.875 176.600 -0.038 0.000 0.888 124 E CA 0.278 56.657 56.400 -0.034 0.000 0.989 124 E CB 1.351 31.032 29.700 -0.032 0.000 0.985 124 E HN 0.926 nan 8.360 nan 0.000 0.499 125 E N -1.071 119.106 120.200 -0.039 0.000 2.435 125 E HA 0.470 4.820 4.350 -0.000 0.000 0.277 125 E C 0.290 176.873 176.600 -0.028 0.000 1.106 125 E CA -0.654 55.724 56.400 -0.036 0.000 0.868 125 E CB 0.662 30.342 29.700 -0.034 0.000 1.454 125 E HN 0.038 nan 8.360 nan 0.000 0.452 126 G N -0.141 108.651 108.800 -0.014 0.000 2.575 126 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.267 126 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.267 126 G C -0.911 173.976 174.900 -0.022 0.000 1.264 126 G CA 0.160 45.260 45.100 -0.000 0.000 0.935 126 G HN 0.819 nan 8.290 nan 0.000 0.568 127 L N 0.568 121.775 121.223 -0.028 0.000 2.309 127 L HA 0.775 5.115 4.340 -0.000 0.000 0.282 127 L C 0.420 177.235 176.870 -0.093 0.000 1.036 127 L CA -0.009 54.793 54.840 -0.063 0.000 0.806 127 L CB 1.885 43.901 42.059 -0.072 0.000 1.220 127 L HN 0.810 nan 8.230 nan 0.000 0.429 128 T N 6.065 120.540 114.554 -0.132 0.000 2.809 128 T HA 0.627 4.977 4.350 -0.000 0.000 0.284 128 T C -0.533 173.992 174.700 -0.293 0.000 0.992 128 T CA -0.345 61.632 62.100 -0.205 0.000 0.957 128 T CB 1.033 69.773 68.868 -0.213 0.000 0.942 128 T HN 0.301 nan 8.240 nan 0.000 0.439 129 I N 3.094 123.445 120.570 -0.366 0.000 2.509 129 I HA 0.476 4.646 4.170 -0.000 0.000 0.293 129 I C -0.716 175.123 176.117 -0.464 0.000 1.020 129 I CA -1.188 59.919 61.300 -0.323 0.000 1.088 129 I CB 1.466 39.314 38.000 -0.253 0.000 1.267 129 I HN 0.584 nan 8.210 nan 0.000 0.430 130 F N 5.272 125.191 119.950 -0.053 0.000 2.408 130 F HA 0.431 4.958 4.527 -0.000 0.000 0.344 130 F C 0.351 176.110 175.800 -0.069 0.000 1.112 130 F CA -0.547 57.428 58.000 -0.041 0.000 1.096 130 F CB 1.142 40.152 39.000 0.017 0.000 1.129 130 F HN 0.119 nan 8.300 nan 0.000 0.486 131 L N 5.467 126.662 121.223 -0.048 0.000 2.261 131 L HA 0.573 4.913 4.340 -0.000 0.000 0.289 131 L C -0.380 176.478 176.870 -0.021 0.000 1.059 131 L CA -0.755 53.997 54.840 -0.146 0.000 0.816 131 L CB 0.782 42.526 42.059 -0.524 0.000 1.191 131 L HN 0.468 nan 8.230 nan 0.000 0.431 132 V N 2.104 122.048 119.914 0.050 0.000 2.925 132 V HA 0.703 4.823 4.120 -0.000 0.000 0.311 132 V C -0.970 175.147 176.094 0.038 0.000 1.104 132 V CA -0.578 61.747 62.300 0.041 0.000 0.954 132 V CB 2.273 34.107 31.823 0.018 0.000 1.022 132 V HN 0.822 nan 8.190 nan 0.000 0.427 133 N N 2.425 121.141 118.700 0.027 0.000 2.890 133 N HA 0.550 5.290 4.740 -0.000 0.000 0.317 133 N C -1.209 174.308 175.510 0.011 0.000 1.355 133 N CA -0.782 52.285 53.050 0.028 0.000 0.803 133 N CB 1.192 39.703 38.487 0.038 0.000 1.465 133 N HN 0.794 nan 8.380 nan 0.000 0.591 134 N N -0.382 118.326 118.700 0.014 0.000 2.581 134 N HA 0.379 5.119 4.740 -0.000 0.000 0.279 134 N C -3.162 172.357 175.510 0.016 0.000 1.124 134 N CA -1.246 51.808 53.050 0.006 0.000 0.833 134 N CB 1.549 40.034 38.487 -0.004 0.000 1.338 134 N HN 0.344 nan 8.380 nan 0.000 0.533 135 P HA 0.310 nan 4.420 nan 0.000 0.271 135 P C 0.888 178.199 177.300 0.019 0.000 1.218 135 P CA 0.676 63.790 63.100 0.023 0.000 0.780 135 P CB 0.943 32.658 31.700 0.025 0.000 0.901 136 G N 0.048 108.860 108.800 0.021 0.000 4.686 136 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.235 136 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.235 136 G C 0.390 175.301 174.900 0.018 0.000 1.589 136 G CA 0.130 45.241 45.100 0.018 0.000 1.172 136 G HN 0.806 nan 8.290 nan 0.000 0.660 137 K N 1.702 122.111 120.400 0.015 0.000 2.436 137 K HA 0.646 4.966 4.320 -0.000 0.000 0.282 137 K C 0.410 177.023 176.600 0.021 0.000 1.044 137 K CA 1.613 57.908 56.287 0.015 0.000 1.028 137 K CB -0.920 31.586 32.500 0.010 0.000 0.919 137 K HN 2.099 nan 8.250 nan 0.000 0.474 138 E N 3.184 123.397 120.200 0.022 0.000 2.292 138 E HA 0.195 4.545 4.350 -0.000 0.000 0.265 138 E C 0.384 177.002 176.600 0.030 0.000 1.093 138 E CA 0.179 56.595 56.400 0.028 0.000 0.922 138 E CB -0.993 28.723 29.700 0.026 0.000 1.001 138 E HN 0.791 nan 8.360 nan 0.000 0.444 139 N N 0.737 119.460 118.700 0.038 0.000 2.869 139 N HA -0.126 4.614 4.740 -0.000 0.000 0.249 139 N C 0.714 176.245 175.510 0.034 0.000 1.104 139 N CA 0.467 53.544 53.050 0.044 0.000 0.760 139 N CB -1.225 37.288 38.487 0.043 0.000 1.108 139 N HN 0.917 nan 8.380 nan 0.000 0.555 140 G N 1.323 110.137 108.800 0.024 0.000 2.614 140 G HA2 0.293 4.253 3.960 -0.000 0.000 0.239 140 G HA3 0.293 4.253 3.960 -0.000 0.000 0.239 140 G C -2.008 172.894 174.900 0.005 0.000 1.240 140 G CA -0.428 44.678 45.100 0.011 0.000 0.842 140 G HN -0.024 nan 8.290 nan 0.000 0.584 141 P HA 0.005 nan 4.420 nan 0.000 0.266 141 P C 0.282 177.555 177.300 -0.045 0.000 1.193 141 P CA -0.208 62.880 63.100 -0.019 0.000 0.770 141 P CB 0.657 32.339 31.700 -0.029 0.000 0.836 142 V N 4.501 124.370 119.914 -0.075 0.000 2.585 142 V HA 0.001 4.121 4.120 -0.000 0.000 0.296 142 V C 0.895 176.924 176.094 -0.109 0.000 1.035 142 V CA 0.833 63.029 62.300 -0.173 0.000 1.084 142 V CB -0.484 31.108 31.823 -0.385 0.000 0.953 142 V HN 0.513 nan 8.190 nan 0.000 0.483 143 K N 5.332 125.665 120.400 -0.112 0.000 2.482 143 K HA 0.583 4.903 4.320 -0.000 0.000 0.251 143 K C -1.360 175.164 176.600 -0.126 0.000 0.936 143 K CA -0.682 55.547 56.287 -0.097 0.000 0.791 143 K CB 2.137 34.596 32.500 -0.068 0.000 1.213 143 K HN 0.368 nan 8.250 nan 0.000 0.428 144 I N 3.232 123.702 120.570 -0.167 0.000 2.312 144 I HA 0.088 4.258 4.170 -0.000 0.000 0.290 144 I C 1.125 177.129 176.117 -0.188 0.000 1.008 144 I CA -0.080 61.065 61.300 -0.260 0.000 1.226 144 I CB 0.922 38.626 38.000 -0.493 0.000 1.371 144 I HN 0.731 nan 8.210 nan 0.000 0.468 145 S N 3.167 118.794 115.700 -0.122 0.000 2.421 145 S HA 0.037 4.507 4.470 -0.000 0.000 0.224 145 S C 0.963 175.535 174.600 -0.045 0.000 1.035 145 S CA -0.225 57.938 58.200 -0.062 0.000 0.953 145 S CB -0.185 63.003 63.200 -0.019 0.000 0.810 145 S HN 0.611 nan 8.310 nan 0.000 0.497 146 S N 2.475 118.159 115.700 -0.026 0.000 2.558 146 S HA 0.138 4.608 4.470 -0.000 0.000 0.287 146 S C -0.006 174.582 174.600 -0.020 0.000 1.321 146 S CA -0.149 58.063 58.200 0.021 0.000 1.048 146 S CB 0.154 63.427 63.200 0.120 0.000 0.844 146 S HN 0.374 nan 8.310 nan 0.000 0.512 147 K N 1.425 121.821 120.400 -0.007 0.000 2.322 147 K HA 0.325 4.645 4.320 -0.000 0.000 0.283 147 K C -0.892 175.693 176.600 -0.025 0.000 1.042 147 K CA -0.330 55.946 56.287 -0.019 0.000 0.958 147 K CB 0.544 33.038 32.500 -0.009 0.000 0.984 147 K HN 0.285 nan 8.250 nan 0.000 0.473 148 V N 3.770 123.670 119.914 -0.025 0.000 2.370 148 V HA 0.097 4.217 4.120 -0.000 0.000 0.283 148 V C -0.218 175.863 176.094 -0.021 0.000 1.023 148 V CA -1.091 61.199 62.300 -0.017 0.000 0.857 148 V CB 1.212 33.048 31.823 0.021 0.000 0.985 148 V HN 0.703 nan 8.190 nan 0.000 0.443 149 N N 4.159 122.840 118.700 -0.031 0.000 3.124 149 N HA 0.272 5.012 4.740 -0.000 0.000 0.284 149 N C -0.678 174.823 175.510 -0.014 0.000 1.209 149 N CA 0.051 53.089 53.050 -0.021 0.000 1.149 149 N CB 0.354 38.827 38.487 -0.023 0.000 1.434 149 N HN 0.872 nan 8.380 nan 0.000 0.529 150 D N -1.166 119.231 120.400 -0.005 0.000 2.484 150 D HA 0.205 4.845 4.640 -0.000 0.000 0.206 150 D C 0.825 177.131 176.300 0.011 0.000 1.322 150 D CA -0.398 53.604 54.000 0.003 0.000 0.913 150 D CB 0.683 41.484 40.800 0.002 0.000 1.559 150 D HN 0.076 nan 8.370 nan 0.000 0.565 151 K N 1.825 122.232 120.400 0.013 0.000 2.044 151 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 151 K C 1.656 178.274 176.600 0.030 0.000 1.049 151 K CA 1.648 57.944 56.287 0.015 0.000 0.927 151 K CB -0.692 31.816 32.500 0.013 0.000 0.713 151 K HN 0.541 nan 8.250 nan 0.000 0.443 152 Q N -0.019 119.806 119.800 0.042 0.000 2.079 152 Q HA -0.033 4.307 4.340 -0.000 0.000 0.200 152 Q C 2.362 178.418 176.000 0.093 0.000 0.974 152 Q CA 1.549 57.395 55.803 0.071 0.000 0.840 152 Q CB -0.427 28.360 28.738 0.082 0.000 0.898 152 Q HN 0.439 nan 8.270 nan 0.000 0.430 153 V N 0.550 120.500 119.914 0.061 0.000 2.427 153 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 153 V C 2.420 178.566 176.094 0.088 0.000 1.051 153 V CA 1.556 63.895 62.300 0.066 0.000 1.048 153 V CB -0.585 31.255 31.823 0.028 0.000 0.666 153 V HN 0.250 nan 8.190 nan 0.000 0.456 154 S N -0.714 115.013 115.700 0.045 0.000 2.353 154 S HA -0.243 4.227 4.470 -0.000 0.000 0.222 154 S C 2.125 176.739 174.600 0.023 0.000 1.035 154 S CA 1.605 59.814 58.200 0.016 0.000 1.025 154 S CB -0.346 62.853 63.200 -0.001 0.000 0.902 154 S HN 0.588 nan 8.310 nan 0.000 0.440 155 E N 0.445 120.667 120.200 0.038 0.000 2.065 155 E HA -0.192 4.157 4.350 -0.000 0.000 0.201 155 E C 1.787 178.392 176.600 0.008 0.000 1.016 155 E CA 1.316 57.727 56.400 0.019 0.000 0.818 155 E CB -0.505 29.215 29.700 0.034 0.000 0.749 155 E HN 0.554 nan 8.360 nan 0.000 0.453 156 F N 0.665 120.577 119.950 -0.063 0.000 2.154 156 F HA -0.184 4.343 4.527 -0.000 0.000 0.301 156 F C 2.125 177.835 175.800 -0.149 0.000 1.087 156 F CA 1.224 59.163 58.000 -0.102 0.000 1.274 156 F CB 0.055 38.996 39.000 -0.098 0.000 1.009 156 F HN 0.002 nan 8.300 nan 0.000 0.485 157 L N -0.327 120.938 121.223 0.071 0.000 2.592 157 L HA 0.055 4.395 4.340 -0.000 0.000 0.227 157 L C 0.737 177.555 176.870 -0.086 0.000 1.127 157 L CA -0.112 54.717 54.840 -0.018 0.000 0.884 157 L CB -0.570 41.450 42.059 -0.064 0.000 1.065 157 L HN -0.147 nan 8.230 nan 0.000 0.457 158 K N 1.230 121.576 120.400 -0.089 0.000 2.586 158 K HA -0.139 4.181 4.320 -0.000 0.000 0.280 158 K C 0.708 177.251 176.600 -0.095 0.000 0.972 158 K CA 0.034 56.266 56.287 -0.092 0.000 1.040 158 K CB 0.602 33.043 32.500 -0.100 0.000 0.870 158 K HN 0.152 nan 8.250 nan 0.000 0.497 159 D N 3.224 123.576 120.400 -0.081 0.000 2.149 159 D HA -0.219 4.421 4.640 -0.000 0.000 0.198 159 D C 2.011 178.266 176.300 -0.076 0.000 0.990 159 D CA 1.814 55.771 54.000 -0.072 0.000 0.839 159 D CB 0.126 40.888 40.800 -0.063 0.000 0.948 159 D HN 0.799 nan 8.370 nan 0.000 0.460 160 E N 2.188 122.338 120.200 -0.083 0.000 2.114 160 E HA -0.245 4.105 4.350 -0.000 0.000 0.199 160 E C 1.793 178.322 176.600 -0.119 0.000 1.008 160 E CA 1.441 57.786 56.400 -0.092 0.000 0.810 160 E CB -0.870 28.779 29.700 -0.087 0.000 0.739 160 E HN 0.279 nan 8.360 nan 0.000 0.456 161 N N -0.556 118.056 118.700 -0.146 0.000 2.300 161 N HA -0.016 4.724 4.740 -0.000 0.000 0.179 161 N C 1.688 177.134 175.510 -0.106 0.000 1.016 161 N CA 1.310 54.242 53.050 -0.197 0.000 0.876 161 N CB 0.033 38.315 38.487 -0.340 0.000 0.979 161 N HN 0.308 nan 8.380 nan 0.000 0.432 162 M N 0.692 120.270 119.600 -0.037 0.000 2.506 162 M HA 0.001 4.481 4.480 -0.000 0.000 0.260 162 M C 1.837 178.188 176.300 0.086 0.000 1.104 162 M CA 0.621 56.009 55.300 0.148 0.000 1.112 162 M CB -0.640 31.994 32.600 0.057 0.000 1.401 162 M HN 0.157 nan 8.290 nan 0.000 0.473 163 E N 2.057 122.220 120.200 -0.061 0.000 2.153 163 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 163 E C 1.608 178.123 176.600 -0.142 0.000 0.988 163 E CA 1.854 58.204 56.400 -0.084 0.000 0.811 163 E CB -0.434 29.215 29.700 -0.084 0.000 0.746 163 E HN 0.594 nan 8.360 nan 0.000 0.466 164 K N -0.199 120.022 120.400 -0.299 0.000 2.360 164 K HA -0.074 4.246 4.320 -0.000 0.000 0.201 164 K C -0.316 176.001 176.600 -0.470 0.000 1.046 164 K CA 0.580 56.607 56.287 -0.434 0.000 0.945 164 K CB -0.418 31.718 32.500 -0.607 0.000 0.750 164 K HN 0.108 nan 8.250 nan 0.000 0.464 165 F N 2.477 122.468 119.950 0.068 0.000 2.408 165 F HA 0.245 4.772 4.527 -0.000 0.000 0.344 165 F C 0.166 175.966 175.800 -0.001 0.000 1.112 165 F CA -1.283 56.789 58.000 0.120 0.000 1.096 165 F CB 1.030 40.162 39.000 0.221 0.000 1.129 165 F HN 0.111 nan 8.300 nan 0.000 0.486 166 N N -0.292 118.548 118.700 0.232 0.000 2.328 166 N HA 0.458 5.198 4.740 -0.000 0.000 0.299 166 N C 0.010 175.607 175.510 0.145 0.000 1.179 166 N CA -1.004 52.114 53.050 0.113 0.000 0.793 166 N CB 1.957 40.499 38.487 0.091 0.000 1.366 166 N HN 0.398 nan 8.380 nan 0.000 0.493 167 V N -2.322 117.638 119.914 0.077 0.000 3.510 167 V HA 0.056 4.176 4.120 -0.000 0.000 0.270 167 V C 0.857 177.028 176.094 0.130 0.000 1.201 167 V CA 0.182 62.542 62.300 0.100 0.000 1.166 167 V CB -1.364 30.485 31.823 0.043 0.000 0.825 167 V HN 0.804 nan 8.190 nan 0.000 0.484 168 K N 1.846 122.322 120.400 0.127 0.000 2.365 168 K HA -0.091 4.229 4.320 -0.000 0.000 0.268 168 K C 0.145 176.806 176.600 0.101 0.000 1.173 168 K CA -0.124 56.223 56.287 0.101 0.000 1.204 168 K CB -0.172 32.385 32.500 0.095 0.000 0.832 168 K HN 0.619 nan 8.250 nan 0.000 0.481 169 L N 5.203 126.476 121.223 0.082 0.000 2.737 169 L HA -0.038 4.302 4.340 -0.000 0.000 0.279 169 L C 1.049 177.957 176.870 0.065 0.000 1.200 169 L CA 2.059 56.944 54.840 0.075 0.000 0.952 169 L CB 0.011 42.110 42.059 0.068 0.000 1.240 169 L HN 0.960 nan 8.230 nan 0.000 0.486 170 G N 1.841 110.673 108.800 0.054 0.000 2.232 170 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.226 170 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.226 170 G C 0.601 175.505 174.900 0.007 0.000 0.996 170 G CA 0.104 45.221 45.100 0.028 0.000 0.626 170 G HN 0.884 nan 8.290 nan 0.000 0.509 171 T N 1.510 116.085 114.554 0.034 0.000 2.903 171 T HA 0.528 4.878 4.350 -0.000 0.000 0.314 171 T C 0.509 175.122 174.700 -0.146 0.000 1.078 171 T CA 1.303 63.411 62.100 0.013 0.000 1.114 171 T CB 0.943 69.889 68.868 0.129 0.000 0.987 171 T HN 1.680 nan 8.240 nan 0.000 0.548 172 S N 1.517 117.054 115.700 -0.272 0.000 2.567 172 S HA 0.761 5.231 4.470 -0.000 0.000 0.270 172 S C -1.740 172.528 174.600 -0.554 0.000 1.152 172 S CA -1.169 56.667 58.200 -0.608 0.000 0.835 172 S CB 1.959 64.886 63.200 -0.455 0.000 1.115 172 S HN 0.493 nan 8.310 nan 0.000 0.459 173 K N 0.435 120.316 120.400 -0.865 0.000 2.527 173 K HA 0.632 4.952 4.320 -0.000 0.000 0.260 173 K C -2.018 174.085 176.600 -0.829 0.000 0.937 173 K CA -0.425 55.502 56.287 -0.599 0.000 0.826 173 K CB 1.399 33.538 32.500 -0.602 0.000 1.359 173 K HN 0.803 nan 8.250 nan 0.000 0.434 174 H N 1.502 120.270 119.070 -0.503 0.000 2.458 174 H HA 0.469 5.024 4.556 -0.000 0.000 0.330 174 H C -0.762 174.371 175.328 -0.324 0.000 1.111 174 H CA -0.214 55.571 56.048 -0.437 0.000 1.245 174 H CB 0.579 30.227 29.762 -0.192 0.000 1.456 174 H HN 0.303 nan 8.280 nan 0.000 0.488 175 F N 1.591 121.541 119.950 -0.000 0.000 2.492 175 F HA 0.328 4.855 4.527 -0.000 0.000 0.327 175 F C -0.558 175.180 175.800 -0.104 0.000 1.079 175 F CA -1.123 56.837 58.000 -0.066 0.000 0.967 175 F CB 1.521 40.351 39.000 -0.282 0.000 1.169 175 F HN 0.435 nan 8.300 nan 0.000 0.472 176 Y N 5.565 125.840 120.300 -0.040 0.000 2.361 176 Y HA 0.664 5.214 4.550 0.000 0.000 0.337 176 Y C -0.773 174.945 175.900 -0.303 0.000 0.965 176 Y CA -1.120 56.879 58.100 -0.169 0.000 1.091 176 Y CB 1.299 39.707 38.460 -0.087 0.000 1.182 176 Y HN 0.614 nan 8.280 nan 0.000 0.450 177 M N 3.885 122.964 119.600 -0.868 0.000 2.682 177 M HA 0.492 4.972 4.480 -0.000 0.000 0.272 177 M C -2.231 173.567 176.300 -0.837 0.000 1.232 177 M CA -0.751 54.136 55.300 -0.687 0.000 0.849 177 M CB 2.026 34.318 32.600 -0.514 0.000 1.695 177 M HN 0.462 nan 8.290 nan 0.000 0.481 178 F N 2.974 122.791 119.950 -0.220 0.000 2.420 178 F HA 0.368 4.895 4.527 -0.000 0.000 0.352 178 F C 0.869 176.613 175.800 -0.094 0.000 1.108 178 F CA -0.066 57.844 58.000 -0.150 0.000 1.162 178 F CB 0.665 39.622 39.000 -0.072 0.000 1.118 178 F HN 0.727 nan 8.300 nan 0.000 0.510 179 N N 1.135 119.869 118.700 0.058 0.000 2.366 179 N HA 0.033 4.773 4.740 -0.000 0.000 0.277 179 N C 0.533 176.082 175.510 0.065 0.000 1.275 179 N CA -0.317 52.754 53.050 0.035 0.000 0.964 179 N CB 0.290 38.773 38.487 -0.007 0.000 1.167 179 N HN 0.437 nan 8.380 nan 0.000 0.568 180 D N -0.930 119.491 120.400 0.036 0.000 2.182 180 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 180 D C 0.243 176.558 176.300 0.024 0.000 0.986 180 D CA 1.117 55.134 54.000 0.029 0.000 0.847 180 D CB -0.292 40.517 40.800 0.016 0.000 0.942 180 D HN 0.545 nan 8.370 nan 0.000 0.467 181 N N 1.247 119.962 118.700 0.026 0.000 2.362 181 N HA -0.039 4.701 4.740 -0.000 0.000 0.211 181 N C 0.120 175.651 175.510 0.034 0.000 1.170 181 N CA 0.087 53.149 53.050 0.021 0.000 0.828 181 N CB 0.457 38.954 38.487 0.016 0.000 1.034 181 N HN -0.103 nan 8.380 nan 0.000 0.475 182 K N 0.297 120.727 120.400 0.050 0.000 2.960 182 K HA -0.159 4.161 4.320 -0.000 0.000 0.259 182 K C -0.671 176.034 176.600 0.173 0.000 1.025 182 K CA 0.556 56.880 56.287 0.062 0.000 0.756 182 K CB -2.143 30.327 32.500 -0.051 0.000 1.221 182 K HN 0.436 nan 8.250 nan 0.000 0.483 183 N N 0.361 119.176 118.700 0.191 0.000 2.509 183 N HA 0.178 4.918 4.740 -0.000 0.000 0.287 183 N C 0.015 175.634 175.510 0.182 0.000 1.121 183 N CA -0.311 52.864 53.050 0.208 0.000 0.977 183 N CB 1.131 39.662 38.487 0.074 0.000 1.167 183 N HN 0.192 nan 8.380 nan 0.000 0.476 184 S N -0.408 115.299 115.700 0.012 0.000 2.549 184 S HA 0.430 4.900 4.470 -0.000 0.000 0.279 184 S C 0.384 174.744 174.600 -0.400 0.000 1.321 184 S CA -0.766 57.060 58.200 -0.623 0.000 1.054 184 S CB 0.354 63.109 63.200 -0.741 0.000 0.899 184 S HN 0.432 nan 8.310 nan 0.000 0.497 185 V N -0.958 118.647 119.914 -0.516 0.000 2.914 185 V HA 0.970 5.090 4.120 -0.000 0.000 0.314 185 V C -0.155 175.738 176.094 -0.335 0.000 1.084 185 V CA -1.191 60.926 62.300 -0.304 0.000 0.963 185 V CB 1.226 32.932 31.823 -0.195 0.000 1.025 185 V HN 1.265 nan 8.190 nan 0.000 0.432 186 A N 2.894 125.618 122.820 -0.161 0.000 2.292 186 A HA 0.907 5.227 4.320 -0.000 0.000 0.319 186 A C -0.425 177.101 177.584 -0.097 0.000 1.206 186 A CA -0.518 51.468 52.037 -0.083 0.000 0.835 186 A CB 1.029 20.028 19.000 -0.002 0.000 1.164 186 A HN 1.494 nan 8.150 nan 0.000 0.505 187 V N 0.841 120.703 119.914 -0.086 0.000 3.141 187 V HA 0.993 5.113 4.120 -0.000 0.000 0.312 187 V C 0.554 176.547 176.094 -0.167 0.000 1.157 187 V CA 0.030 62.303 62.300 -0.044 0.000 1.041 187 V CB 1.840 33.725 31.823 0.103 0.000 1.071 187 V HN 1.636 nan 8.190 nan 0.000 0.441 188 G N 0.164 108.847 108.800 -0.196 0.000 2.428 188 G HA2 0.622 4.582 3.960 -0.000 0.000 0.304 188 G HA3 0.622 4.582 3.960 -0.000 0.000 0.304 188 G C -2.043 172.738 174.900 -0.198 0.000 1.303 188 G CA -0.046 44.701 45.100 -0.588 0.000 0.825 188 G HN 1.495 nan 8.290 nan 0.000 0.484 189 Y N -1.970 118.095 120.300 -0.391 0.000 2.615 189 Y HA 0.842 5.392 4.550 -0.000 0.000 0.341 189 Y C -1.226 174.559 175.900 -0.192 0.000 1.089 189 Y CA -1.505 56.505 58.100 -0.150 0.000 1.049 189 Y CB 1.717 40.166 38.460 -0.020 0.000 1.296 189 Y HN 0.586 nan 8.280 nan 0.000 0.470 190 V N 1.547 121.458 119.914 -0.005 0.000 2.735 190 V HA 0.766 4.886 4.120 -0.000 0.000 0.310 190 V C 0.106 176.321 176.094 0.201 0.000 1.061 190 V CA -0.500 61.759 62.300 -0.068 0.000 0.913 190 V CB 1.908 33.667 31.823 -0.108 0.000 1.005 190 V HN 1.140 nan 8.190 nan 0.000 0.428 191 G N 1.123 110.036 108.800 0.187 0.000 2.325 191 G HA2 0.432 4.392 3.960 -0.000 0.000 0.298 191 G HA3 0.432 4.392 3.960 -0.000 0.000 0.298 191 G C 0.078 175.042 174.900 0.107 0.000 1.134 191 G CA -0.230 44.997 45.100 0.213 0.000 0.876 191 G HN 0.894 nan 8.290 nan 0.000 0.452 192 C N 2.619 121.970 119.300 0.086 0.000 2.742 192 C HA 0.681 5.141 4.460 -0.000 0.000 0.283 192 C C 1.626 176.654 174.990 0.064 0.000 1.451 192 C CA -0.252 58.805 59.018 0.065 0.000 1.785 192 C CB -1.357 26.410 27.740 0.045 0.000 2.664 192 C HN 1.381 nan 8.230 nan 0.000 0.544 193 G N 2.543 111.384 108.800 0.068 0.000 2.528 193 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.262 193 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.262 193 G C 0.699 175.628 174.900 0.048 0.000 1.200 193 G CA 0.736 45.871 45.100 0.059 0.000 0.951 193 G HN 0.975 nan 8.290 nan 0.000 0.566 194 S N -2.154 113.573 115.700 0.044 0.000 2.648 194 S HA 0.502 4.972 4.470 -0.000 0.000 0.270 194 S C 0.694 175.317 174.600 0.038 0.000 1.080 194 S CA 0.845 59.068 58.200 0.037 0.000 1.159 194 S CB 0.556 63.775 63.200 0.032 0.000 1.091 194 S HN 1.293 nan 8.310 nan 0.000 0.605 195 V N 3.063 123.003 119.914 0.043 0.000 2.763 195 V HA 0.371 4.491 4.120 -0.000 0.000 0.306 195 V C 1.923 178.045 176.094 0.048 0.000 1.059 195 V CA 0.540 62.867 62.300 0.044 0.000 1.138 195 V CB 0.695 32.547 31.823 0.048 0.000 0.940 195 V HN 0.541 nan 8.190 nan 0.000 0.489 196 A N 3.649 126.496 122.820 0.045 0.000 1.873 196 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 196 A C 1.070 178.688 177.584 0.057 0.000 1.193 196 A CA 2.128 54.193 52.037 0.047 0.000 0.629 196 A CB -0.704 18.322 19.000 0.042 0.000 0.826 196 A HN 1.140 nan 8.150 nan 0.000 0.447 197 D N -1.594 118.843 120.400 0.061 0.000 2.857 197 D HA 0.583 5.223 4.640 -0.000 0.000 0.227 197 D C -0.685 175.660 176.300 0.075 0.000 1.192 197 D CA -0.606 53.439 54.000 0.074 0.000 0.857 197 D CB 0.678 41.523 40.800 0.075 0.000 1.645 197 D HN 0.401 nan 8.370 nan 0.000 0.482 198 L N 1.437 122.714 121.223 0.089 0.000 2.380 198 L HA 0.509 4.849 4.340 -0.000 0.000 0.273 198 L C 1.629 178.547 176.870 0.080 0.000 1.138 198 L CA -0.657 54.237 54.840 0.091 0.000 0.832 198 L CB 1.218 43.347 42.059 0.116 0.000 1.124 198 L HN 0.600 nan 8.230 nan 0.000 0.454 199 S N 1.775 117.515 115.700 0.067 0.000 2.617 199 S HA 0.031 4.501 4.470 -0.000 0.000 0.259 199 S C 1.183 175.791 174.600 0.013 0.000 1.301 199 S CA 0.006 58.228 58.200 0.037 0.000 0.984 199 S CB 0.928 64.158 63.200 0.051 0.000 0.954 199 S HN 0.833 nan 8.310 nan 0.000 0.572 200 E N 1.294 121.437 120.200 -0.095 0.000 2.068 200 E HA -0.292 4.058 4.350 -0.000 0.000 0.207 200 E C 2.049 178.688 176.600 0.064 0.000 1.032 200 E CA 2.111 58.370 56.400 -0.235 0.000 0.839 200 E CB -1.036 28.456 29.700 -0.346 0.000 0.758 200 E HN 0.822 nan 8.360 nan 0.000 0.457 201 A N 0.858 123.733 122.820 0.091 0.000 1.972 201 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 201 A C 1.827 179.497 177.584 0.143 0.000 1.169 201 A CA 1.876 53.997 52.037 0.141 0.000 0.635 201 A CB -0.434 18.642 19.000 0.127 0.000 0.810 201 A HN 0.337 nan 8.150 nan 0.000 0.446 202 D N -1.081 119.395 120.400 0.126 0.000 2.123 202 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 202 D C 1.753 178.146 176.300 0.155 0.000 0.976 202 D CA 1.459 55.532 54.000 0.120 0.000 0.831 202 D CB -0.355 40.505 40.800 0.101 0.000 0.974 202 D HN 0.382 nan 8.370 nan 0.000 0.469 203 M N 0.509 120.237 119.600 0.214 0.000 2.460 203 M HA -0.051 4.429 4.480 -0.000 0.000 0.263 203 M C 1.595 178.070 176.300 0.291 0.000 1.071 203 M CA 1.302 56.781 55.300 0.298 0.000 1.096 203 M CB -0.016 32.851 32.600 0.444 0.000 1.408 203 M HN -0.180 nan 8.290 nan 0.000 0.463 204 K N -0.727 119.837 120.400 0.273 0.000 2.098 204 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 204 K C 2.123 178.777 176.600 0.090 0.000 1.051 204 K CA 0.858 57.245 56.287 0.167 0.000 0.957 204 K CB 0.003 32.623 32.500 0.200 0.000 0.738 204 K HN 0.265 nan 8.250 nan 0.000 0.447 205 R N 0.225 120.785 120.500 0.100 0.000 2.096 205 R HA -0.146 4.194 4.340 -0.000 0.000 0.240 205 R C 2.201 178.529 176.300 0.047 0.000 1.139 205 R CA 1.715 57.855 56.100 0.067 0.000 0.952 205 R CB -0.492 29.849 30.300 0.070 0.000 0.854 205 R HN 0.063 nan 8.270 nan 0.000 0.436 206 V N 0.364 120.319 119.914 0.068 0.000 2.255 206 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 206 V C 2.356 178.464 176.094 0.024 0.000 1.051 206 V CA 1.870 64.202 62.300 0.053 0.000 1.018 206 V CB -0.399 31.477 31.823 0.088 0.000 0.641 206 V HN 0.160 nan 8.190 nan 0.000 0.445 207 V N -0.659 119.266 119.914 0.018 0.000 2.332 207 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 207 V C 2.383 178.403 176.094 -0.124 0.000 1.055 207 V CA 1.661 63.896 62.300 -0.108 0.000 1.038 207 V CB -0.627 31.039 31.823 -0.263 0.000 0.651 207 V HN 0.379 nan 8.190 nan 0.000 0.450 208 L N -0.111 121.071 121.223 -0.069 0.000 2.046 208 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 208 L C 2.619 179.448 176.870 -0.068 0.000 1.077 208 L CA 1.893 56.700 54.840 -0.055 0.000 0.747 208 L CB -1.142 40.914 42.059 -0.005 0.000 0.896 208 L HN 0.280 nan 8.230 nan 0.000 0.432 209 S N -0.804 114.861 115.700 -0.058 0.000 2.368 209 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 209 S C 1.860 176.382 174.600 -0.130 0.000 1.029 209 S CA 0.998 59.152 58.200 -0.078 0.000 0.988 209 S CB -0.381 62.775 63.200 -0.073 0.000 0.838 209 S HN 0.315 nan 8.310 nan 0.000 0.462 210 L N 1.734 122.873 121.223 -0.140 0.000 2.043 210 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 210 L C 2.085 178.802 176.870 -0.255 0.000 1.075 210 L CA 1.682 56.410 54.840 -0.187 0.000 0.752 210 L CB -0.659 41.316 42.059 -0.139 0.000 0.891 210 L HN 0.153 nan 8.230 nan 0.000 0.432 211 V N -0.804 118.951 119.914 -0.265 0.000 2.591 211 V HA -0.194 3.926 4.120 -0.000 0.000 0.249 211 V C 2.619 178.484 176.094 -0.382 0.000 1.053 211 V CA 1.559 63.622 62.300 -0.394 0.000 1.068 211 V CB -0.860 30.757 31.823 -0.343 0.000 0.689 211 V HN 0.747 nan 8.190 nan 0.000 0.462 212 T N -1.715 112.735 114.554 -0.174 0.000 2.759 212 T HA -0.261 4.089 4.350 -0.000 0.000 0.269 212 T C 1.779 176.459 174.700 -0.035 0.000 1.042 212 T CA 1.802 63.877 62.100 -0.041 0.000 1.140 212 T CB -0.398 68.468 68.868 -0.004 0.000 0.864 212 T HN 0.388 nan 8.240 nan 0.000 0.455 213 M N 0.463 120.002 119.600 -0.102 0.000 2.319 213 M HA 0.211 4.691 4.480 -0.000 0.000 0.265 213 M C 1.999 178.258 176.300 -0.068 0.000 1.068 213 M CA 1.206 56.476 55.300 -0.051 0.000 1.118 213 M CB -0.429 32.036 32.600 -0.225 0.000 1.395 213 M HN 0.233 nan 8.290 nan 0.000 0.435 214 L N -1.497 119.598 121.223 -0.214 0.000 2.509 214 L HA 0.018 4.358 4.340 -0.000 0.000 0.222 214 L C 0.492 177.335 176.870 -0.045 0.000 1.123 214 L CA -0.062 54.638 54.840 -0.235 0.000 0.856 214 L CB -0.538 41.135 42.059 -0.643 0.000 0.985 214 L HN 0.177 nan 8.230 nan 0.000 0.456 215 H N 1.223 120.273 119.070 -0.033 0.000 2.646 215 H HA 0.099 4.655 4.556 -0.000 0.000 0.325 215 H C 0.159 175.472 175.328 -0.025 0.000 1.075 215 H CA -0.440 55.603 56.048 -0.008 0.000 1.421 215 H CB 0.844 30.602 29.762 -0.007 0.000 1.461 215 H HN 0.077 nan 8.280 nan 0.000 0.525 216 D N 1.428 121.885 120.400 0.096 0.000 3.017 216 D HA -0.218 4.422 4.640 -0.000 0.000 0.220 216 D C -0.504 175.802 176.300 0.009 0.000 1.141 216 D CA 0.590 54.600 54.000 0.017 0.000 0.848 216 D CB -0.934 39.870 40.800 0.006 0.000 1.102 216 D HN 0.499 nan 8.370 nan 0.000 0.427 217 N N 0.705 119.420 118.700 0.025 0.000 2.581 217 N HA 0.150 4.890 4.740 -0.000 0.000 0.279 217 N C -1.009 174.512 175.510 0.019 0.000 1.124 217 N CA -0.420 52.638 53.050 0.013 0.000 0.833 217 N CB 0.814 39.314 38.487 0.021 0.000 1.338 217 N HN -0.107 nan 8.380 nan 0.000 0.533 218 K N 3.100 123.506 120.400 0.010 0.000 2.165 218 K HA 0.199 4.519 4.320 -0.000 0.000 0.270 218 K C -0.362 176.257 176.600 0.032 0.000 1.091 218 K CA 0.260 56.557 56.287 0.017 0.000 1.019 218 K CB 0.102 32.607 32.500 0.008 0.000 1.101 218 K HN 0.397 nan 8.250 nan 0.000 0.397 219 L N 1.583 122.834 121.223 0.047 0.000 2.317 219 L HA 0.181 4.521 4.340 -0.000 0.000 0.281 219 L C 1.256 178.178 176.870 0.087 0.000 1.024 219 L CA -0.309 54.564 54.840 0.056 0.000 0.810 219 L CB 1.950 44.034 42.059 0.042 0.000 1.240 219 L HN 0.523 nan 8.230 nan 0.000 0.427 220 S N 0.765 116.521 115.700 0.095 0.000 2.458 220 S HA 0.068 4.538 4.470 -0.000 0.000 0.223 220 S C 0.418 175.153 174.600 0.225 0.000 1.019 220 S CA 0.119 58.408 58.200 0.149 0.000 0.937 220 S CB 0.139 63.422 63.200 0.138 0.000 0.788 220 S HN 0.612 nan 8.310 nan 0.000 0.511 221 K N -0.082 120.412 120.400 0.156 0.000 2.502 221 K HA 0.615 4.935 4.320 -0.000 0.000 0.257 221 K C -2.237 174.413 176.600 0.083 0.000 0.938 221 K CA -1.031 55.353 56.287 0.162 0.000 0.819 221 K CB 1.838 34.409 32.500 0.117 0.000 1.333 221 K HN 0.121 nan 8.250 nan 0.000 0.434 222 L N 1.649 122.920 121.223 0.081 0.000 2.386 222 L HA 0.612 4.952 4.340 -0.000 0.000 0.271 222 L C -1.537 175.369 176.870 0.060 0.000 0.993 222 L CA 0.191 55.045 54.840 0.024 0.000 0.819 222 L CB 2.313 44.355 42.059 -0.028 0.000 1.294 222 L HN 0.684 nan 8.230 nan 0.000 0.414 223 T N 3.977 118.546 114.554 0.026 0.000 2.848 223 T HA 0.676 5.026 4.350 -0.000 0.000 0.285 223 T C -0.929 173.771 174.700 0.000 0.000 0.995 223 T CA -0.445 61.701 62.100 0.076 0.000 0.970 223 T CB 1.665 70.593 68.868 0.100 0.000 0.976 223 T HN 0.376 nan 8.240 nan 0.000 0.441 224 V N 3.520 123.478 119.914 0.073 0.000 2.459 224 V HA 0.500 4.620 4.120 -0.000 0.000 0.295 224 V C -0.302 175.807 176.094 0.024 0.000 1.029 224 V CA -0.739 61.544 62.300 -0.028 0.000 0.874 224 V CB 1.905 33.743 31.823 0.025 0.000 0.985 224 V HN 0.725 nan 8.190 nan 0.000 0.438 225 V N 5.355 125.159 119.914 -0.184 0.000 2.357 225 V HA 0.411 4.531 4.120 -0.000 0.000 0.284 225 V C -0.515 175.586 176.094 0.012 0.000 1.018 225 V CA -0.406 61.878 62.300 -0.027 0.000 0.841 225 V CB 1.236 32.926 31.823 -0.222 0.000 0.991 225 V HN 0.691 nan 8.190 nan 0.000 0.437 226 F N 3.607 123.553 119.950 -0.007 0.000 2.462 226 F HA 0.321 4.848 4.527 -0.000 0.000 0.354 226 F C 1.363 177.163 175.800 0.000 0.000 1.192 226 F CA -0.015 57.947 58.000 -0.063 0.000 1.173 226 F CB 0.556 39.458 39.000 -0.165 0.000 1.402 226 F HN 0.558 nan 8.300 nan 0.000 0.595 227 E N 4.131 124.409 120.200 0.130 0.000 2.437 227 E HA 0.156 4.506 4.350 -0.000 0.000 0.195 227 E C 0.036 176.686 176.600 0.084 0.000 1.029 227 E CA -0.002 56.466 56.400 0.114 0.000 0.948 227 E CB 0.261 30.025 29.700 0.107 0.000 1.082 227 E HN 0.554 nan 8.360 nan 0.000 0.456 228 I N -2.837 117.793 120.570 0.100 0.000 2.863 228 I HA 0.353 4.523 4.170 -0.000 0.000 0.311 228 I C 0.066 176.266 176.117 0.138 0.000 1.026 228 I CA -1.078 60.282 61.300 0.101 0.000 1.077 228 I CB 1.340 39.389 38.000 0.081 0.000 1.262 228 I HN -0.250 nan 8.210 nan 0.000 0.461 229 N N 2.184 120.953 118.700 0.115 0.000 2.422 229 N HA 0.412 5.152 4.740 -0.000 0.000 0.264 229 N C -1.572 174.023 175.510 0.141 0.000 1.063 229 N CA -0.116 53.004 53.050 0.116 0.000 0.959 229 N CB 1.839 40.381 38.487 0.092 0.000 1.087 229 N HN 0.480 nan 8.380 nan 0.000 0.483 230 V N 3.812 123.819 119.914 0.155 0.000 2.610 230 V HA 0.109 4.229 4.120 -0.000 0.000 0.298 230 V C -0.971 175.302 176.094 0.298 0.000 1.067 230 V CA -0.883 61.532 62.300 0.191 0.000 0.894 230 V CB 1.682 33.614 31.823 0.183 0.000 1.015 230 V HN 0.781 nan 8.190 nan 0.000 0.432 231 D N 4.607 125.151 120.400 0.239 0.000 2.354 231 D HA 0.102 4.742 4.640 -0.000 0.000 0.238 231 D C 0.961 177.445 176.300 0.307 0.000 1.250 231 D CA -0.200 53.920 54.000 0.200 0.000 0.911 231 D CB 0.747 41.606 40.800 0.099 0.000 1.163 231 D HN 0.454 nan 8.370 nan 0.000 0.456 232 K N -0.520 119.932 120.400 0.086 0.000 2.160 232 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 232 K C 1.441 178.174 176.600 0.222 0.000 1.047 232 K CA 1.238 57.588 56.287 0.105 0.000 0.930 232 K CB -0.098 32.340 32.500 -0.104 0.000 0.720 232 K HN 0.358 nan 8.250 nan 0.000 0.450 233 N N 0.414 119.208 118.700 0.157 0.000 2.333 233 N HA -0.101 4.639 4.740 -0.000 0.000 0.178 233 N C 1.619 177.256 175.510 0.212 0.000 1.018 233 N CA 0.595 53.735 53.050 0.149 0.000 0.882 233 N CB -0.027 38.510 38.487 0.084 0.000 0.984 233 N HN 0.059 nan 8.380 nan 0.000 0.434 234 L N 0.642 122.002 121.223 0.227 0.000 2.027 234 L HA -0.004 4.336 4.340 -0.000 0.000 0.206 234 L C 2.049 179.149 176.870 0.383 0.000 1.074 234 L CA 1.262 56.271 54.840 0.282 0.000 0.745 234 L CB -1.100 41.101 42.059 0.237 0.000 0.898 234 L HN -0.012 nan 8.230 nan 0.000 0.433 235 F N 0.601 120.667 119.950 0.194 0.000 2.069 235 F HA -0.261 4.266 4.527 0.000 0.000 0.298 235 F C 2.808 178.702 175.800 0.156 0.000 1.113 235 F CA 2.211 60.264 58.000 0.089 0.000 1.214 235 F CB -0.454 38.533 39.000 -0.022 0.000 0.978 235 F HN 0.093 nan 8.300 nan 0.000 0.474 236 R N -0.590 119.979 120.500 0.116 0.000 2.096 236 R HA -0.271 4.069 4.340 -0.000 0.000 0.240 236 R C 2.454 178.723 176.300 -0.052 0.000 1.139 236 R CA 2.173 58.250 56.100 -0.039 0.000 0.952 236 R CB -1.057 29.275 30.300 0.053 0.000 0.854 236 R HN 0.428 nan 8.270 nan 0.000 0.436 237 F N 0.738 120.670 119.950 -0.030 0.000 2.161 237 F HA -0.243 4.284 4.527 -0.000 0.000 0.300 237 F C 1.840 177.597 175.800 -0.071 0.000 1.089 237 F CA 1.520 59.511 58.000 -0.016 0.000 1.282 237 F CB -0.522 38.503 39.000 0.042 0.000 1.010 237 F HN 0.092 nan 8.300 nan 0.000 0.485 238 F N 0.421 120.269 119.950 -0.169 0.000 2.046 238 F HA -0.232 4.295 4.527 -0.000 0.000 0.297 238 F C 1.887 177.395 175.800 -0.486 0.000 1.123 238 F CA 1.691 59.529 58.000 -0.272 0.000 1.199 238 F CB -0.797 38.164 39.000 -0.066 0.000 0.972 238 F HN -0.080 nan 8.300 nan 0.000 0.474 239 L N 0.959 121.773 121.223 -0.682 0.000 2.012 239 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 239 L C 2.418 178.552 176.870 -1.227 0.000 1.073 239 L CA 1.835 56.004 54.840 -1.118 0.000 0.748 239 L CB -1.681 39.747 42.059 -1.051 0.000 0.891 239 L HN 0.291 nan 8.230 nan 0.000 0.431 240 E N -1.115 118.660 120.200 -0.709 0.000 2.114 240 E HA -0.244 4.106 4.350 -0.000 0.000 0.199 240 E C 1.941 178.366 176.600 -0.291 0.000 1.008 240 E CA 2.094 58.301 56.400 -0.322 0.000 0.810 240 E CB -0.052 29.558 29.700 -0.150 0.000 0.739 240 E HN 0.545 nan 8.360 nan 0.000 0.456 241 T N 1.124 115.339 114.554 -0.564 0.000 2.770 241 T HA -0.113 4.237 4.350 -0.000 0.000 0.263 241 T C 1.888 176.413 174.700 -0.291 0.000 1.039 241 T CA 0.751 62.572 62.100 -0.465 0.000 1.142 241 T CB -0.328 68.101 68.868 -0.732 0.000 0.868 241 T HN 0.058 nan 8.240 nan 0.000 0.435 242 L N 0.672 121.576 121.223 -0.532 0.000 2.021 242 L HA -0.127 4.213 4.340 -0.000 0.000 0.215 242 L C 2.079 178.916 176.870 -0.055 0.000 1.074 242 L CA 1.877 56.477 54.840 -0.399 0.000 0.760 242 L CB -0.790 40.865 42.059 -0.673 0.000 0.889 242 L HN 0.087 nan 8.230 nan 0.000 0.433 243 F N -0.992 118.779 119.950 -0.298 0.000 2.069 243 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 243 F C 2.555 178.183 175.800 -0.285 0.000 1.113 243 F CA 1.577 59.286 58.000 -0.486 0.000 1.214 243 F CB -1.625 36.867 39.000 -0.846 0.000 0.978 243 F HN 0.229 nan 8.300 nan 0.000 0.474 244 Y N 1.153 121.561 120.300 0.179 0.000 2.114 244 Y HA -0.210 4.340 4.550 -0.000 0.000 0.284 244 Y C 2.406 178.384 175.900 0.131 0.000 1.143 244 Y CA 1.962 60.224 58.100 0.269 0.000 1.135 244 Y CB -0.271 38.330 38.460 0.233 0.000 0.980 244 Y HN -0.037 nan 8.280 nan 0.000 0.499 245 E N -0.559 119.745 120.200 0.174 0.000 2.047 245 E HA -0.238 4.112 4.350 -0.000 0.000 0.191 245 E C 2.065 178.712 176.600 0.077 0.000 0.987 245 E CA 1.295 57.734 56.400 0.065 0.000 0.799 245 E CB -1.091 28.638 29.700 0.050 0.000 0.752 245 E HN 0.560 nan 8.360 nan 0.000 0.449 246 Y N 1.287 121.535 120.300 -0.086 0.000 2.151 246 Y HA -0.142 4.408 4.550 -0.000 0.000 0.284 246 Y C 1.147 177.122 175.900 0.124 0.000 1.166 246 Y CA 0.561 58.632 58.100 -0.048 0.000 1.163 246 Y CB -0.491 37.942 38.460 -0.044 0.000 0.974 246 Y HN 0.016 nan 8.280 nan 0.000 0.511 247 M N 0.990 120.596 119.600 0.009 0.000 2.251 247 M HA 0.047 4.527 4.480 -0.000 0.000 0.343 247 M C -0.429 175.880 176.300 0.015 0.000 1.245 247 M CA 0.963 56.170 55.300 -0.155 0.000 1.061 247 M CB 0.208 32.528 32.600 -0.467 0.000 1.723 247 M HN 0.055 nan 8.290 nan 0.000 0.449 248 T N 4.016 118.637 114.554 0.111 0.000 2.792 248 T HA 0.249 4.599 4.350 -0.000 0.000 0.280 248 T C -1.210 173.555 174.700 0.109 0.000 0.990 248 T CA -0.600 61.563 62.100 0.105 0.000 0.960 248 T CB 0.773 69.698 68.868 0.095 0.000 0.939 248 T HN 0.576 nan 8.240 nan 0.000 0.439 249 D N 2.521 122.988 120.400 0.110 0.000 2.339 249 D HA 0.158 4.798 4.640 -0.000 0.000 0.241 249 D C 0.530 176.859 176.300 0.048 0.000 1.183 249 D CA -0.190 53.875 54.000 0.108 0.000 0.859 249 D CB 0.762 41.604 40.800 0.070 0.000 1.067 249 D HN 0.526 nan 8.370 nan 0.000 0.484 250 E N 2.682 122.890 120.200 0.014 0.000 2.624 250 E HA 0.101 4.451 4.350 -0.000 0.000 0.210 250 E C 1.375 177.905 176.600 -0.116 0.000 0.997 250 E CA -0.172 56.216 56.400 -0.019 0.000 0.999 250 E CB 0.578 30.273 29.700 -0.009 0.000 1.040 250 E HN 0.391 nan 8.360 nan 0.000 0.469 251 R N -0.014 120.347 120.500 -0.231 0.000 2.154 251 R HA -0.142 4.198 4.340 -0.000 0.000 0.248 251 R C 1.028 176.870 176.300 -0.764 0.000 1.155 251 R CA 1.475 57.229 56.100 -0.577 0.000 0.979 251 R CB -0.170 29.602 30.300 -0.880 0.000 0.869 251 R HN 0.150 nan 8.270 nan 0.000 0.452 252 F N 0.357 120.231 119.950 -0.126 0.000 2.695 252 F HA 0.177 4.704 4.527 -0.000 0.000 0.303 252 F C 0.460 176.225 175.800 -0.058 0.000 1.091 252 F CA -0.260 57.664 58.000 -0.126 0.000 1.300 252 F CB 0.365 39.265 39.000 -0.166 0.000 1.071 252 F HN -0.359 nan 8.300 nan 0.000 0.578 253 K N 0.655 121.076 120.400 0.035 0.000 2.322 253 K HA 0.244 4.564 4.320 -0.000 0.000 0.283 253 K C 0.775 177.378 176.600 0.005 0.000 1.042 253 K CA 0.111 56.413 56.287 0.024 0.000 0.958 253 K CB 1.867 34.370 32.500 0.005 0.000 0.984 253 K HN 0.090 nan 8.250 nan 0.000 0.473 254 S N 1.082 116.792 115.700 0.018 0.000 3.627 254 S HA -0.071 4.399 4.470 -0.000 0.000 0.190 254 S C 1.540 176.145 174.600 0.008 0.000 0.880 254 S CA 0.695 58.903 58.200 0.013 0.000 0.894 254 S CB -0.329 62.888 63.200 0.029 0.000 1.095 254 S HN 0.668 nan 8.310 nan 0.000 0.655 255 T N -1.026 113.535 114.554 0.013 0.000 3.055 255 T HA 0.115 4.465 4.350 -0.000 0.000 0.265 255 T C 0.773 175.475 174.700 0.003 0.000 1.111 255 T CA 1.483 63.588 62.100 0.007 0.000 1.118 255 T CB -0.299 68.574 68.868 0.009 0.000 0.909 255 T HN 0.336 nan 8.240 nan 0.000 0.501 256 D N 1.040 121.443 120.400 0.005 0.000 2.525 256 D HA 0.208 4.848 4.640 -0.000 0.000 0.229 256 D C -0.102 176.194 176.300 -0.006 0.000 1.202 256 D CA -0.405 53.594 54.000 -0.000 0.000 0.828 256 D CB -0.121 40.681 40.800 0.004 0.000 1.008 256 D HN 0.395 nan 8.370 nan 0.000 0.493 257 K N 0.709 121.105 120.400 -0.008 0.000 2.485 257 K HA -0.033 4.287 4.320 -0.000 0.000 0.277 257 K C 0.503 177.089 176.600 -0.024 0.000 0.990 257 K CA -0.072 56.206 56.287 -0.015 0.000 0.994 257 K CB 0.394 32.886 32.500 -0.014 0.000 0.906 257 K HN 0.127 nan 8.250 nan 0.000 0.488 258 N N 2.963 121.642 118.700 -0.034 0.000 2.400 258 N HA -0.033 4.707 4.740 -0.000 0.000 0.267 258 N C 0.724 176.205 175.510 -0.049 0.000 1.208 258 N CA 0.006 53.025 53.050 -0.052 0.000 0.951 258 N CB 0.785 39.224 38.487 -0.080 0.000 1.227 258 N HN 0.556 nan 8.380 nan 0.000 0.488 259 V N 2.892 122.782 119.914 -0.041 0.000 3.383 259 V HA -0.152 3.968 4.120 -0.000 0.000 0.272 259 V C 1.479 177.549 176.094 -0.041 0.000 1.181 259 V CA 1.382 63.661 62.300 -0.034 0.000 1.171 259 V CB -0.341 31.466 31.823 -0.026 0.000 0.800 259 V HN 0.597 nan 8.190 nan 0.000 0.515 260 N N -1.037 117.628 118.700 -0.059 0.000 2.516 260 N HA 0.153 4.893 4.740 -0.000 0.000 0.197 260 N C 0.761 176.210 175.510 -0.101 0.000 1.064 260 N CA -0.031 52.978 53.050 -0.067 0.000 0.866 260 N CB 0.229 38.676 38.487 -0.067 0.000 1.255 260 N HN 0.485 nan 8.380 nan 0.000 0.447 261 M N 2.859 122.373 119.600 -0.144 0.000 3.026 261 M HA -0.052 4.428 4.480 -0.000 0.000 0.349 261 M C -0.699 175.434 176.300 -0.279 0.000 1.803 261 M CA 0.404 55.538 55.300 -0.278 0.000 1.404 261 M CB -1.088 31.335 32.600 -0.295 0.000 1.993 261 M HN 0.000 nan 8.290 nan 0.000 0.469 262 E N 3.436 123.487 120.200 -0.248 0.000 2.165 262 E HA 0.265 4.615 4.350 -0.000 0.000 0.266 262 E C -1.351 175.141 176.600 -0.179 0.000 0.889 262 E CA -0.532 55.786 56.400 -0.137 0.000 0.756 262 E CB 1.139 30.814 29.700 -0.042 0.000 1.131 262 E HN 0.467 nan 8.360 nan 0.000 0.411 263 Y N 1.909 122.166 120.300 -0.072 0.000 2.301 263 Y HA 0.221 4.771 4.550 -0.000 0.000 0.325 263 Y C 1.083 176.999 175.900 0.028 0.000 1.203 263 Y CA -1.070 56.975 58.100 -0.091 0.000 1.255 263 Y CB 0.497 38.755 38.460 -0.338 0.000 1.232 263 Y HN 0.446 nan 8.280 nan 0.000 0.501 264 I N 0.214 120.976 120.570 0.320 0.000 3.003 264 I HA -0.037 4.133 4.170 -0.000 0.000 0.294 264 I C 0.682 176.850 176.117 0.086 0.000 1.237 264 I CA -0.037 61.386 61.300 0.205 0.000 1.417 264 I CB 0.644 38.776 38.000 0.219 0.000 1.340 264 I HN 0.586 nan 8.210 nan 0.000 0.594 265 K N 2.213 122.620 120.400 0.011 0.000 2.354 265 K HA 0.183 4.503 4.320 -0.000 0.000 0.194 265 K C -0.460 175.779 176.600 -0.601 0.000 1.045 265 K CA 0.315 56.429 56.287 -0.288 0.000 1.026 265 K CB 0.083 32.377 32.500 -0.344 0.000 0.866 265 K HN 0.755 nan 8.250 nan 0.000 0.530 266 H N -0.641 118.462 119.070 0.055 0.000 2.865 266 H HA 0.403 4.959 4.556 -0.000 0.000 0.362 266 H C -1.501 173.872 175.328 0.074 0.000 1.114 266 H CA -0.825 55.258 56.048 0.058 0.000 1.208 266 H CB 1.950 31.749 29.762 0.062 0.000 1.727 266 H HN -0.159 nan 8.280 nan 0.000 0.534 267 L N 1.790 123.122 121.223 0.182 0.000 2.381 267 L HA 0.803 5.143 4.340 -0.000 0.000 0.274 267 L C -0.314 176.652 176.870 0.159 0.000 0.988 267 L CA -0.127 54.812 54.840 0.164 0.000 0.824 267 L CB 1.675 43.837 42.059 0.173 0.000 1.263 267 L HN 0.824 nan 8.230 nan 0.000 0.410 268 G N 4.315 113.216 108.800 0.168 0.000 2.470 268 G HA2 0.634 4.594 3.960 -0.000 0.000 0.320 268 G HA3 0.634 4.594 3.960 -0.000 0.000 0.320 268 G C -1.641 173.344 174.900 0.141 0.000 1.245 268 G CA -0.496 44.703 45.100 0.166 0.000 0.935 268 G HN 0.531 nan 8.290 nan 0.000 0.476 269 V N 1.732 121.657 119.914 0.018 0.000 2.680 269 V HA 0.514 4.634 4.120 -0.000 0.000 0.309 269 V C -1.232 174.821 176.094 -0.068 0.000 1.052 269 V CA -0.897 61.464 62.300 0.101 0.000 0.908 269 V CB 1.551 33.478 31.823 0.173 0.000 1.001 269 V HN 0.687 nan 8.190 nan 0.000 0.431 270 Y N 4.305 124.709 120.300 0.173 0.000 2.331 270 Y HA 0.792 5.342 4.550 -0.000 0.000 0.334 270 Y C -0.176 175.772 175.900 0.079 0.000 0.960 270 Y CA -0.418 57.766 58.100 0.141 0.000 1.130 270 Y CB 1.987 40.528 38.460 0.135 0.000 1.164 270 Y HN 0.582 nan 8.280 nan 0.000 0.458 271 I N 1.579 122.212 120.570 0.105 0.000 2.908 271 I HA 0.436 4.606 4.170 -0.000 0.000 0.300 271 I C -0.583 175.522 176.117 -0.019 0.000 1.385 271 I CA -0.646 60.610 61.300 -0.073 0.000 1.004 271 I CB 1.649 39.315 38.000 -0.556 0.000 1.309 271 I HN 0.785 nan 8.210 nan 0.000 0.449 272 N N 3.410 122.108 118.700 -0.004 0.000 2.411 272 N HA 0.113 4.853 4.740 -0.000 0.000 0.265 272 N C 0.139 175.720 175.510 0.118 0.000 1.266 272 N CA 0.715 53.803 53.050 0.065 0.000 0.889 272 N CB -0.249 38.286 38.487 0.081 0.000 1.069 272 N HN 0.746 nan 8.380 nan 0.000 0.476 273 N N -0.808 117.935 118.700 0.072 0.000 2.726 273 N HA -0.142 4.598 4.740 -0.000 0.000 0.253 273 N C 1.301 176.837 175.510 0.043 0.000 1.059 273 N CA 0.841 53.915 53.050 0.040 0.000 0.701 273 N CB -1.319 37.169 38.487 0.003 0.000 0.899 273 N HN 1.104 nan 8.380 nan 0.000 0.548 274 A N -0.060 122.769 122.820 0.015 0.000 1.927 274 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 274 A C 1.879 179.426 177.584 -0.062 0.000 1.185 274 A CA 2.056 54.069 52.037 -0.039 0.000 0.639 274 A CB -0.234 18.730 19.000 -0.060 0.000 0.820 274 A HN 0.518 nan 8.150 nan 0.000 0.451 275 D N -0.561 119.805 120.400 -0.057 0.000 2.133 275 D HA -0.169 4.471 4.640 -0.000 0.000 0.195 275 D C 2.344 178.580 176.300 -0.107 0.000 0.997 275 D CA 2.288 56.245 54.000 -0.072 0.000 0.840 275 D CB -0.651 40.116 40.800 -0.054 0.000 0.947 275 D HN 0.688 nan 8.370 nan 0.000 0.452 276 T N -1.590 112.869 114.554 -0.158 0.000 2.737 276 T HA -0.202 4.148 4.350 -0.000 0.000 0.265 276 T C 2.069 176.583 174.700 -0.310 0.000 1.038 276 T CA 0.890 62.836 62.100 -0.256 0.000 1.144 276 T CB -0.880 67.764 68.868 -0.373 0.000 0.866 276 T HN 0.106 nan 8.240 nan 0.000 0.434 277 Y N 2.104 122.228 120.300 -0.293 0.000 2.421 277 Y HA 0.184 4.734 4.550 -0.000 0.000 0.292 277 Y C 2.631 178.339 175.900 -0.319 0.000 1.136 277 Y CA 0.498 58.311 58.100 -0.479 0.000 1.255 277 Y CB -0.342 37.505 38.460 -1.020 0.000 0.991 277 Y HN 0.251 nan 8.280 nan 0.000 0.552 278 K N 0.176 120.523 120.400 -0.088 0.000 2.103 278 K HA -0.242 4.078 4.320 -0.000 0.000 0.207 278 K C 1.955 178.566 176.600 0.018 0.000 1.048 278 K CA 1.554 57.819 56.287 -0.038 0.000 0.930 278 K CB -0.176 32.285 32.500 -0.065 0.000 0.716 278 K HN 0.385 nan 8.250 nan 0.000 0.444 279 E N 0.847 121.043 120.200 -0.006 0.000 2.204 279 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 279 E C 1.467 178.091 176.600 0.040 0.000 0.990 279 E CA 0.810 57.211 56.400 0.002 0.000 0.821 279 E CB 0.272 29.953 29.700 -0.032 0.000 0.750 279 E HN 0.233 nan 8.360 nan 0.000 0.477 280 E N 0.075 120.343 120.200 0.114 0.000 2.274 280 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 280 E C 2.170 178.859 176.600 0.147 0.000 0.996 280 E CA 0.270 56.771 56.400 0.168 0.000 0.840 280 E CB -0.009 29.941 29.700 0.415 0.000 0.772 280 E HN 0.166 nan 8.360 nan 0.000 0.491 281 V N 1.927 121.962 119.914 0.202 0.000 2.233 281 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 281 V C 2.217 178.382 176.094 0.118 0.000 1.050 281 V CA 1.859 64.254 62.300 0.159 0.000 1.010 281 V CB -0.309 31.613 31.823 0.165 0.000 0.637 281 V HN 0.165 nan 8.190 nan 0.000 0.444 282 E N -0.316 119.940 120.200 0.093 0.000 2.208 282 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 282 E C 2.124 178.773 176.600 0.083 0.000 0.988 282 E CA 0.736 57.196 56.400 0.099 0.000 0.828 282 E CB -0.212 29.530 29.700 0.070 0.000 0.763 282 E HN 0.564 nan 8.360 nan 0.000 0.478 283 K N 0.769 121.171 120.400 0.003 0.000 2.057 283 K HA -0.071 4.249 4.320 -0.000 0.000 0.206 283 K C 2.049 178.571 176.600 -0.130 0.000 1.050 283 K CA 1.129 57.338 56.287 -0.129 0.000 0.935 283 K CB -0.017 32.333 32.500 -0.249 0.000 0.715 283 K HN 0.045 nan 8.250 nan 0.000 0.439 284 A N 1.419 124.211 122.820 -0.046 0.000 1.902 284 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 284 A C 2.104 179.855 177.584 0.280 0.000 1.181 284 A CA 1.785 53.832 52.037 0.017 0.000 0.623 284 A CB -0.537 18.375 19.000 -0.147 0.000 0.818 284 A HN 0.400 nan 8.150 nan 0.000 0.443 285 R N -0.526 120.190 120.500 0.360 0.000 2.075 285 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 285 R C 1.844 178.461 176.300 0.528 0.000 1.126 285 R CA 1.712 58.114 56.100 0.504 0.000 0.963 285 R CB -0.506 29.974 30.300 0.300 0.000 0.858 285 R HN 0.250 nan 8.270 nan 0.000 0.435 286 V N 0.171 120.349 119.914 0.441 0.000 2.261 286 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 286 V C 2.013 178.503 176.094 0.660 0.000 1.047 286 V CA 1.724 64.362 62.300 0.564 0.000 1.015 286 V CB -0.749 31.288 31.823 0.357 0.000 0.642 286 V HN 0.305 nan 8.190 nan 0.000 0.446 287 Y N -0.060 120.411 120.300 0.285 0.000 2.114 287 Y HA -0.298 4.252 4.550 0.000 0.000 0.282 287 Y C 2.531 178.559 175.900 0.214 0.000 1.165 287 Y CA 1.533 59.756 58.100 0.206 0.000 1.148 287 Y CB -1.381 37.160 38.460 0.134 0.000 0.972 287 Y HN 0.480 nan 8.280 nan 0.000 0.504 288 Y N -0.467 120.056 120.300 0.370 0.000 2.081 288 Y HA -0.347 4.202 4.550 -0.000 0.000 0.280 288 Y C 2.365 178.449 175.900 0.306 0.000 1.163 288 Y CA 1.870 60.155 58.100 0.308 0.000 1.135 288 Y CB -1.332 37.370 38.460 0.405 0.000 0.970 288 Y HN 0.049 nan 8.280 nan 0.000 0.498 289 F N 1.222 120.962 119.950 -0.349 0.000 2.186 289 F HA 0.054 4.581 4.527 -0.000 0.000 0.299 289 F C 2.407 178.040 175.800 -0.279 0.000 1.090 289 F CA 1.571 59.236 58.000 -0.559 0.000 1.307 289 F CB -0.908 37.959 39.000 -0.221 0.000 1.019 289 F HN 0.154 nan 8.300 nan 0.000 0.489 290 G N -0.668 108.069 108.800 -0.105 0.000 2.476 290 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 290 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 290 G C 1.670 176.464 174.900 -0.176 0.000 1.164 290 G CA 1.540 46.602 45.100 -0.063 0.000 0.768 290 G HN 0.384 nan 8.290 nan 0.000 0.560 291 T N -0.467 114.002 114.554 -0.141 0.000 2.777 291 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 291 T C 2.014 176.650 174.700 -0.106 0.000 1.040 291 T CA 1.273 63.296 62.100 -0.129 0.000 1.141 291 T CB -0.299 68.490 68.868 -0.132 0.000 0.868 291 T HN 0.332 nan 8.240 nan 0.000 0.444 292 Y N 0.521 120.638 120.300 -0.305 0.000 2.242 292 Y HA -0.094 4.456 4.550 -0.000 0.000 0.291 292 Y C 2.184 177.819 175.900 -0.443 0.000 1.137 292 Y CA 0.600 58.531 58.100 -0.282 0.000 1.181 292 Y CB -0.455 37.694 38.460 -0.518 0.000 0.989 292 Y HN 0.303 nan 8.280 nan 0.000 0.527 293 Y N 0.141 119.888 120.300 -0.921 0.000 2.181 293 Y HA -0.182 4.368 4.550 -0.000 0.000 0.288 293 Y C 2.417 178.006 175.900 -0.518 0.000 1.146 293 Y CA 1.761 59.309 58.100 -0.919 0.000 1.164 293 Y CB -0.772 36.976 38.460 -1.186 0.000 0.982 293 Y HN 0.113 nan 8.280 nan 0.000 0.515 294 A N -0.714 121.913 122.820 -0.322 0.000 1.902 294 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 294 A C 2.492 179.904 177.584 -0.286 0.000 1.181 294 A CA 1.980 53.867 52.037 -0.250 0.000 0.623 294 A CB -1.522 17.421 19.000 -0.096 0.000 0.818 294 A HN 0.544 nan 8.150 nan 0.000 0.443 295 S N -0.659 114.879 115.700 -0.271 0.000 2.365 295 S HA -0.302 4.168 4.470 -0.000 0.000 0.225 295 S C 2.169 176.563 174.600 -0.343 0.000 1.039 295 S CA 1.995 60.059 58.200 -0.226 0.000 1.033 295 S CB -0.468 62.660 63.200 -0.121 0.000 0.887 295 S HN 0.670 nan 8.310 nan 0.000 0.447 296 Q N 0.119 119.570 119.800 -0.583 0.000 2.096 296 Q HA -0.070 4.270 4.340 -0.000 0.000 0.204 296 Q C 2.362 178.152 176.000 -0.350 0.000 0.982 296 Q CA 1.742 57.236 55.803 -0.515 0.000 0.850 296 Q CB -0.325 28.020 28.738 -0.655 0.000 0.901 296 Q HN 0.567 nan 8.270 nan 0.000 0.422 297 L N -0.006 120.956 121.223 -0.435 0.000 2.046 297 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 297 L C 2.301 179.090 176.870 -0.135 0.000 1.077 297 L CA 0.988 55.647 54.840 -0.302 0.000 0.747 297 L CB -0.401 41.442 42.059 -0.359 0.000 0.896 297 L HN 0.246 nan 8.230 nan 0.000 0.432 298 I N -0.034 120.480 120.570 -0.094 0.000 2.202 298 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 298 I C 2.805 178.989 176.117 0.112 0.000 1.091 298 I CA 1.259 62.587 61.300 0.047 0.000 1.368 298 I CB -0.453 37.620 38.000 0.122 0.000 1.058 298 I HN 0.172 nan 8.210 nan 0.000 0.410 299 A N 0.916 123.781 122.820 0.074 0.000 1.933 299 A HA 0.049 4.369 4.320 -0.000 0.000 0.218 299 A C 1.653 179.226 177.584 -0.020 0.000 1.175 299 A CA 0.929 53.029 52.037 0.106 0.000 0.628 299 A CB -0.896 18.124 19.000 0.034 0.000 0.814 299 A HN 0.368 nan 8.150 nan 0.000 0.444 300 A N 0.940 123.740 122.820 -0.034 0.000 2.566 300 A HA 0.407 4.727 4.320 -0.000 0.000 0.245 300 A C -2.247 175.254 177.584 -0.139 0.000 1.056 300 A CA -0.657 51.319 52.037 -0.102 0.000 0.757 300 A CB -0.483 18.547 19.000 0.051 0.000 0.979 300 A HN 0.310 nan 8.150 nan 0.000 0.508 301 P HA 0.185 nan 4.420 nan 0.000 0.274 301 P C 0.789 178.077 177.300 -0.019 0.000 1.246 301 P CA -0.277 62.737 63.100 -0.143 0.000 0.795 301 P CB 0.712 32.288 31.700 -0.208 0.000 1.006 302 S N 0.668 116.342 115.700 -0.044 0.000 2.442 302 S HA -0.129 4.341 4.470 -0.000 0.000 0.236 302 S C 1.490 176.037 174.600 -0.089 0.000 1.007 302 S CA 1.140 59.313 58.200 -0.045 0.000 0.965 302 S CB -0.911 62.252 63.200 -0.062 0.000 0.773 302 S HN 0.639 nan 8.310 nan 0.000 0.504 303 N N 0.700 119.352 118.700 -0.081 0.000 2.331 303 N HA -0.113 4.627 4.740 -0.000 0.000 0.180 303 N C 1.229 176.637 175.510 -0.171 0.000 1.019 303 N CA 1.188 54.172 53.050 -0.110 0.000 0.881 303 N CB -0.653 37.752 38.487 -0.137 0.000 0.972 303 N HN 0.456 nan 8.380 nan 0.000 0.435 304 Y N 0.487 120.748 120.300 -0.066 0.000 2.262 304 Y HA 0.171 4.721 4.550 -0.000 0.000 0.295 304 Y C 1.152 177.016 175.900 -0.059 0.000 1.121 304 Y CA 0.459 58.552 58.100 -0.011 0.000 1.144 304 Y CB -0.118 38.393 38.460 0.085 0.000 1.043 304 Y HN 0.123 nan 8.280 nan 0.000 0.528 305 C N 3.140 122.491 119.300 0.084 0.000 2.176 305 C HA 0.453 4.913 4.460 -0.000 0.000 0.329 305 C C -0.292 174.628 174.990 -0.116 0.000 1.113 305 C CA -0.947 58.066 59.018 -0.009 0.000 1.562 305 C CB -2.652 25.091 27.740 0.005 0.000 2.040 305 C HN 0.531 nan 8.230 nan 0.000 0.460 306 N N 4.363 122.918 118.700 -0.241 0.000 2.545 306 N HA 0.654 5.394 4.740 -0.000 0.000 0.289 306 N C -2.428 172.923 175.510 -0.264 0.000 1.279 306 N CA -1.877 50.911 53.050 -0.437 0.000 0.824 306 N CB 0.562 38.333 38.487 -1.194 0.000 1.395 306 N HN 0.055 nan 8.380 nan 0.000 0.526 307 P HA -0.147 nan 4.420 nan 0.000 0.216 307 P C 1.076 178.369 177.300 -0.013 0.000 1.150 307 P CA 0.908 63.986 63.100 -0.037 0.000 0.843 307 P CB 0.194 31.928 31.700 0.056 0.000 0.787 308 V N 0.132 120.027 119.914 -0.030 0.000 2.323 308 V HA -0.192 3.928 4.120 -0.000 0.000 0.244 308 V C 2.589 178.688 176.094 0.008 0.000 1.041 308 V CA 2.378 64.697 62.300 0.032 0.000 1.025 308 V CB -1.621 30.257 31.823 0.092 0.000 0.656 308 V HN 0.264 nan 8.190 nan 0.000 0.451 309 S N -0.192 115.483 115.700 -0.041 0.000 2.406 309 S HA -0.115 4.355 4.470 -0.000 0.000 0.228 309 S C 2.062 176.660 174.600 -0.004 0.000 1.020 309 S CA 1.221 59.412 58.200 -0.015 0.000 0.965 309 S CB -0.518 62.664 63.200 -0.029 0.000 0.798 309 S HN 0.463 nan 8.310 nan 0.000 0.488 310 L N 2.024 123.232 121.223 -0.024 0.000 1.994 310 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 310 L C 2.990 179.871 176.870 0.019 0.000 1.071 310 L CA 1.967 56.800 54.840 -0.010 0.000 0.745 310 L CB -0.796 41.249 42.059 -0.024 0.000 0.892 310 L HN 0.641 nan 8.230 nan 0.000 0.431 311 S N -0.569 115.148 115.700 0.029 0.000 2.382 311 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 311 S C 1.672 176.298 174.600 0.043 0.000 1.027 311 S CA 1.248 59.479 58.200 0.052 0.000 0.991 311 S CB -0.632 62.615 63.200 0.078 0.000 0.823 311 S HN 0.449 nan 8.310 nan 0.000 0.469 312 N N 2.884 121.606 118.700 0.037 0.000 2.104 312 N HA 0.014 4.754 4.740 -0.000 0.000 0.190 312 N C 1.958 177.485 175.510 0.027 0.000 1.024 312 N CA 1.653 54.720 53.050 0.027 0.000 0.853 312 N CB -1.013 37.496 38.487 0.036 0.000 1.008 312 N HN 0.630 nan 8.380 nan 0.000 0.424 313 A N 0.700 123.552 122.820 0.053 0.000 1.930 313 A HA 0.077 4.397 4.320 -0.000 0.000 0.217 313 A C 2.334 179.992 177.584 0.122 0.000 1.175 313 A CA 1.784 53.882 52.037 0.103 0.000 0.627 313 A CB -0.744 18.310 19.000 0.091 0.000 0.815 313 A HN 0.317 nan 8.150 nan 0.000 0.443 314 A N -0.561 122.307 122.820 0.081 0.000 1.902 314 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 314 A C 2.220 179.784 177.584 -0.035 0.000 1.181 314 A CA 1.727 53.803 52.037 0.065 0.000 0.623 314 A CB -0.873 18.171 19.000 0.073 0.000 0.818 314 A HN 0.357 nan 8.150 nan 0.000 0.443 315 V N 0.009 119.848 119.914 -0.125 0.000 2.295 315 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 315 V C 2.542 178.426 176.094 -0.350 0.000 1.049 315 V CA 2.380 64.420 62.300 -0.433 0.000 1.024 315 V CB -0.675 30.905 31.823 -0.406 0.000 0.648 315 V HN 0.808 nan 8.190 nan 0.000 0.447 316 E N -0.131 119.991 120.200 -0.131 0.000 2.085 316 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 316 E C 2.171 178.754 176.600 -0.029 0.000 0.994 316 E CA 1.696 58.066 56.400 -0.051 0.000 0.801 316 E CB -0.185 29.554 29.700 0.065 0.000 0.743 316 E HN 0.444 nan 8.360 nan 0.000 0.453 317 L N 0.775 122.017 121.223 0.032 0.000 2.017 317 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 317 L C 2.309 179.164 176.870 -0.025 0.000 1.073 317 L CA 2.242 57.096 54.840 0.023 0.000 0.745 317 L CB -0.747 41.312 42.059 -0.000 0.000 0.894 317 L HN 0.213 nan 8.230 nan 0.000 0.432 318 A N -1.138 121.652 122.820 -0.050 0.000 1.908 318 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 318 A C 2.206 179.811 177.584 0.034 0.000 1.181 318 A CA 2.029 54.071 52.037 0.008 0.000 0.627 318 A CB -0.650 18.374 19.000 0.039 0.000 0.818 318 A HN 0.667 nan 8.150 nan 0.000 0.445 319 Q N -0.467 119.305 119.800 -0.046 0.000 2.084 319 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 319 Q C 2.053 178.049 176.000 -0.007 0.000 0.978 319 Q CA 1.714 57.521 55.803 0.007 0.000 0.844 319 Q CB -0.185 28.528 28.738 -0.041 0.000 0.898 319 Q HN 0.636 nan 8.270 nan 0.000 0.426 320 K N 0.203 120.573 120.400 -0.050 0.000 2.209 320 K HA -0.082 4.238 4.320 -0.000 0.000 0.204 320 K C 1.557 178.139 176.600 -0.031 0.000 1.048 320 K CA 0.796 57.038 56.287 -0.074 0.000 0.940 320 K CB 0.118 32.530 32.500 -0.146 0.000 0.729 320 K HN 0.211 nan 8.250 nan 0.000 0.451 321 L N 0.403 121.625 121.223 -0.001 0.000 2.640 321 L HA 0.103 4.443 4.340 -0.000 0.000 0.230 321 L C 0.004 176.903 176.870 0.049 0.000 1.123 321 L CA -0.215 54.632 54.840 0.011 0.000 0.900 321 L CB -0.018 42.040 42.059 -0.002 0.000 1.146 321 L HN 0.217 nan 8.230 nan 0.000 0.484 322 N N 1.390 120.124 118.700 0.057 0.000 2.740 322 N HA -0.170 4.570 4.740 -0.000 0.000 0.248 322 N C -0.394 175.180 175.510 0.107 0.000 1.062 322 N CA 0.726 53.822 53.050 0.077 0.000 0.704 322 N CB -0.960 37.557 38.487 0.050 0.000 0.968 322 N HN 0.293 nan 8.380 nan 0.000 0.547 323 L N 0.832 122.144 121.223 0.147 0.000 2.357 323 L HA 0.268 4.608 4.340 -0.000 0.000 0.273 323 L C 1.078 178.076 176.870 0.214 0.000 1.080 323 L CA -0.675 54.276 54.840 0.186 0.000 0.803 323 L CB 0.810 42.993 42.059 0.207 0.000 1.174 323 L HN -0.008 nan 8.230 nan 0.000 0.443 324 E N 2.237 122.525 120.200 0.146 0.000 2.392 324 E HA 0.217 4.567 4.350 -0.000 0.000 0.264 324 E C -1.338 175.371 176.600 0.182 0.000 1.024 324 E CA -0.025 56.418 56.400 0.070 0.000 0.903 324 E CB 0.703 30.402 29.700 -0.002 0.000 0.963 324 E HN 0.462 nan 8.360 nan 0.000 0.432 325 Y N -0.951 119.386 120.300 0.061 0.000 2.562 325 Y HA 0.672 5.222 4.550 -0.000 0.000 0.345 325 Y C -0.987 174.950 175.900 0.061 0.000 1.045 325 Y CA -1.382 56.771 58.100 0.088 0.000 1.028 325 Y CB 1.852 40.375 38.460 0.105 0.000 1.297 325 Y HN 0.422 nan 8.280 nan 0.000 0.463 326 K N 3.058 123.596 120.400 0.230 0.000 2.535 326 K HA 0.587 4.907 4.320 -0.000 0.000 0.251 326 K C -2.221 174.568 176.600 0.315 0.000 0.942 326 K CA -0.671 55.720 56.287 0.173 0.000 0.798 326 K CB 1.613 34.150 32.500 0.063 0.000 1.267 326 K HN 0.770 nan 8.250 nan 0.000 0.434 327 I N 5.185 125.927 120.570 0.286 0.000 2.355 327 I HA 0.251 4.421 4.170 -0.000 0.000 0.288 327 I C -0.696 175.553 176.117 0.220 0.000 0.999 327 I CA -0.929 60.532 61.300 0.268 0.000 1.163 327 I CB 1.080 39.220 38.000 0.233 0.000 1.316 327 I HN 0.554 nan 8.210 nan 0.000 0.454 328 L N 6.231 127.602 121.223 0.247 0.000 2.315 328 L HA 0.461 4.801 4.340 -0.000 0.000 0.283 328 L C 0.992 177.971 176.870 0.182 0.000 1.089 328 L CA 0.319 55.266 54.840 0.178 0.000 0.833 328 L CB 0.738 42.854 42.059 0.096 0.000 1.170 328 L HN 0.679 nan 8.230 nan 0.000 0.442 329 G N 2.421 111.296 108.800 0.126 0.000 2.535 329 G HA2 0.422 4.382 3.960 -0.000 0.000 0.303 329 G HA3 0.422 4.382 3.960 -0.000 0.000 0.303 329 G C 1.013 175.953 174.900 0.067 0.000 1.237 329 G CA -0.623 44.537 45.100 0.099 0.000 0.986 329 G HN 0.371 nan 8.290 nan 0.000 0.494 330 V N 0.568 120.505 119.914 0.037 0.000 2.282 330 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 330 V C 2.963 179.063 176.094 0.010 0.000 1.057 330 V CA 1.978 64.280 62.300 0.003 0.000 1.032 330 V CB -0.405 31.410 31.823 -0.012 0.000 0.645 330 V HN 0.528 nan 8.190 nan 0.000 0.447 331 K N 0.236 120.648 120.400 0.020 0.000 2.063 331 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 331 K C 2.033 178.647 176.600 0.024 0.000 1.048 331 K CA 1.792 58.091 56.287 0.019 0.000 0.928 331 K CB -0.447 32.067 32.500 0.022 0.000 0.713 331 K HN 0.703 nan 8.250 nan 0.000 0.442 332 E N 0.561 120.781 120.200 0.034 0.000 2.107 332 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 332 E C 2.209 178.827 176.600 0.030 0.000 0.982 332 E CA 0.542 56.964 56.400 0.036 0.000 0.809 332 E CB -0.195 29.534 29.700 0.048 0.000 0.756 332 E HN 0.147 nan 8.360 nan 0.000 0.459 333 L N 1.196 122.438 121.223 0.032 0.000 2.046 333 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 333 L C 2.350 179.234 176.870 0.024 0.000 1.077 333 L CA 1.331 56.192 54.840 0.035 0.000 0.747 333 L CB -0.398 41.688 42.059 0.045 0.000 0.896 333 L HN 0.113 nan 8.230 nan 0.000 0.432 334 E N 0.155 120.361 120.200 0.011 0.000 2.077 334 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 334 E C 2.410 179.020 176.600 0.018 0.000 0.989 334 E CA 1.429 57.835 56.400 0.010 0.000 0.800 334 E CB -0.131 29.571 29.700 0.004 0.000 0.746 334 E HN 0.622 nan 8.360 nan 0.000 0.452 335 E N 1.085 121.297 120.200 0.019 0.000 2.153 335 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 335 E C 1.831 178.446 176.600 0.023 0.000 0.988 335 E CA 0.946 57.358 56.400 0.020 0.000 0.811 335 E CB -0.758 28.954 29.700 0.020 0.000 0.746 335 E HN 0.193 nan 8.360 nan 0.000 0.466 336 L N -0.733 120.507 121.223 0.029 0.000 2.599 336 L HA 0.140 4.480 4.340 -0.000 0.000 0.230 336 L C 0.529 177.424 176.870 0.041 0.000 1.141 336 L CA 0.396 55.258 54.840 0.035 0.000 0.877 336 L CB 0.027 42.111 42.059 0.042 0.000 1.009 336 L HN 0.239 nan 8.230 nan 0.000 0.447 337 K N -0.172 120.251 120.400 0.038 0.000 3.071 337 K HA -0.204 4.115 4.320 -0.000 0.000 0.265 337 K C 0.076 176.712 176.600 0.060 0.000 1.060 337 K CA 0.557 56.869 56.287 0.042 0.000 0.767 337 K CB -1.464 31.060 32.500 0.040 0.000 1.241 337 K HN 0.321 nan 8.250 nan 0.000 0.486 338 M N 0.486 120.129 119.600 0.071 0.000 3.706 338 M HA 0.031 4.511 4.480 -0.000 0.000 0.204 338 M C 1.718 178.072 176.300 0.090 0.000 1.455 338 M CA 0.419 55.787 55.300 0.114 0.000 1.659 338 M CB 0.171 32.890 32.600 0.199 0.000 1.076 338 M HN 0.426 nan 8.290 nan 0.000 0.577 339 G N 0.503 109.342 108.800 0.065 0.000 2.408 339 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.217 339 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.217 339 G C 1.531 176.450 174.900 0.032 0.000 1.150 339 G CA 0.976 46.099 45.100 0.039 0.000 0.776 339 G HN 0.648 nan 8.290 nan 0.000 0.542 340 A N 0.239 123.095 122.820 0.061 0.000 1.877 340 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 340 A C 2.239 179.845 177.584 0.037 0.000 1.186 340 A CA 1.784 53.849 52.037 0.046 0.000 0.620 340 A CB -0.760 18.262 19.000 0.037 0.000 0.822 340 A HN 0.442 nan 8.150 nan 0.000 0.443 341 Y N 0.533 120.800 120.300 -0.054 0.000 2.145 341 Y HA -0.108 4.442 4.550 -0.000 0.000 0.286 341 Y C 1.890 177.748 175.900 -0.070 0.000 1.145 341 Y CA 1.628 59.700 58.100 -0.048 0.000 1.148 341 Y CB -0.677 37.798 38.460 0.024 0.000 0.981 341 Y HN 0.191 nan 8.280 nan 0.000 0.507 342 L N -0.743 120.345 121.223 -0.226 0.000 2.201 342 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 342 L C 2.507 179.231 176.870 -0.242 0.000 1.105 342 L CA 1.258 55.900 54.840 -0.329 0.000 0.775 342 L CB -0.583 41.358 42.059 -0.196 0.000 0.913 342 L HN 0.128 nan 8.230 nan 0.000 0.440 343 S N -0.562 115.009 115.700 -0.215 0.000 2.368 343 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 343 S C 2.040 176.266 174.600 -0.622 0.000 1.030 343 S CA 1.208 59.228 58.200 -0.300 0.000 0.999 343 S CB -0.159 62.904 63.200 -0.228 0.000 0.844 343 S HN 0.179 nan 8.310 nan 0.000 0.459 344 V N 1.448 120.960 119.914 -0.669 0.000 2.332 344 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 344 V C 2.521 178.449 176.094 -0.276 0.000 1.055 344 V CA 1.972 63.886 62.300 -0.644 0.000 1.038 344 V CB -1.323 30.336 31.823 -0.273 0.000 0.651 344 V HN 0.598 nan 8.190 nan 0.000 0.450 345 G N -1.014 107.659 108.800 -0.213 0.000 2.572 345 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.216 345 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.216 345 G C 1.560 176.417 174.900 -0.071 0.000 1.133 345 G CA 0.271 45.302 45.100 -0.115 0.000 0.791 345 G HN 0.449 nan 8.290 nan 0.000 0.538 346 K N 0.160 120.508 120.400 -0.086 0.000 2.089 346 K HA -0.127 4.193 4.320 -0.000 0.000 0.210 346 K C 2.560 179.173 176.600 0.023 0.000 1.048 346 K CA 1.265 57.537 56.287 -0.024 0.000 0.926 346 K CB -0.322 32.180 32.500 0.004 0.000 0.714 346 K HN 0.282 nan 8.250 nan 0.000 0.448 347 G N 0.357 109.194 108.800 0.061 0.000 2.679 347 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.212 347 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.212 347 G C 0.435 175.357 174.900 0.037 0.000 1.137 347 G CA -0.005 45.137 45.100 0.070 0.000 0.787 347 G HN 0.202 nan 8.290 nan 0.000 0.534 348 S N -0.088 115.631 115.700 0.032 0.000 2.586 348 S HA 0.347 4.817 4.470 -0.000 0.000 0.274 348 S C 1.691 176.259 174.600 -0.053 0.000 1.281 348 S CA -0.483 57.736 58.200 0.033 0.000 1.035 348 S CB 0.834 64.104 63.200 0.117 0.000 0.962 348 S HN 0.305 nan 8.310 nan 0.000 0.512 349 M N 2.959 122.445 119.600 -0.190 0.000 2.562 349 M HA 0.183 4.663 4.480 -0.000 0.000 0.257 349 M C -0.913 175.131 176.300 -0.427 0.000 1.099 349 M CA 0.664 55.753 55.300 -0.352 0.000 1.099 349 M CB -0.380 31.918 32.600 -0.504 0.000 1.427 349 M HN 0.531 nan 8.290 nan 0.000 0.489 350 Y N 1.937 122.239 120.300 0.003 0.000 2.335 350 Y HA 0.539 5.089 4.550 -0.000 0.000 0.339 350 Y C -2.317 173.584 175.900 0.001 0.000 0.987 350 Y CA -2.911 55.193 58.100 0.007 0.000 1.140 350 Y CB 0.190 38.660 38.460 0.016 0.000 1.173 350 Y HN -0.003 nan 8.280 nan 0.000 0.486 351 P HA -0.016 nan 4.420 nan 0.000 0.268 351 P C -0.650 176.692 177.300 0.071 0.000 1.205 351 P CA -0.116 63.023 63.100 0.065 0.000 0.771 351 P CB 0.554 32.290 31.700 0.060 0.000 0.858 352 N N 2.619 121.316 118.700 -0.005 0.000 2.407 352 N HA 0.051 4.791 4.740 -0.000 0.000 0.250 352 N C 0.002 175.573 175.510 0.103 0.000 1.236 352 N CA 0.721 53.761 53.050 -0.017 0.000 0.879 352 N CB 0.032 38.313 38.487 -0.343 0.000 1.088 352 N HN 0.197 nan 8.380 nan 0.000 0.450 353 K N 1.813 122.341 120.400 0.213 0.000 2.541 353 K HA 0.286 4.606 4.320 -0.000 0.000 0.250 353 K C -1.311 175.475 176.600 0.310 0.000 0.950 353 K CA -0.503 55.922 56.287 0.230 0.000 0.805 353 K CB 1.429 34.019 32.500 0.151 0.000 1.166 353 K HN 0.409 nan 8.250 nan 0.000 0.430 354 F N 4.061 124.118 119.950 0.177 0.000 2.391 354 F HA 0.448 4.975 4.527 -0.000 0.000 0.359 354 F C 0.030 175.862 175.800 0.053 0.000 1.122 354 F CA -0.901 57.138 58.000 0.065 0.000 1.120 354 F CB 0.536 39.533 39.000 -0.004 0.000 1.142 354 F HN 0.386 nan 8.300 nan 0.000 0.483 355 I N 6.195 126.728 120.570 -0.061 0.000 2.342 355 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 355 I C -0.578 175.685 176.117 0.244 0.000 1.010 355 I CA -0.281 61.088 61.300 0.115 0.000 1.308 355 I CB 0.907 38.930 38.000 0.038 0.000 1.400 355 I HN 0.595 nan 8.210 nan 0.000 0.488 356 H N 6.758 126.012 119.070 0.307 0.000 2.991 356 H HA 0.444 5.000 4.556 -0.000 0.000 0.304 356 H C -1.527 174.034 175.328 0.388 0.000 1.040 356 H CA -0.924 55.358 56.048 0.390 0.000 1.410 356 H CB 0.952 30.984 29.762 0.451 0.000 1.529 356 H HN 0.370 nan 8.280 nan 0.000 0.509 357 L N 3.748 125.369 121.223 0.663 0.000 2.334 357 L HA 0.443 4.783 4.340 -0.000 0.000 0.275 357 L C 0.003 177.287 176.870 0.689 0.000 1.036 357 L CA -0.253 54.929 54.840 0.570 0.000 0.807 357 L CB 2.003 44.330 42.059 0.446 0.000 1.231 357 L HN 0.626 nan 8.230 nan 0.000 0.438 358 T N 1.882 116.715 114.554 0.466 0.000 2.879 358 T HA 0.359 4.709 4.350 -0.000 0.000 0.290 358 T C -1.438 173.448 174.700 0.310 0.000 0.993 358 T CA -0.367 61.914 62.100 0.302 0.000 0.975 358 T CB 0.972 69.909 68.868 0.116 0.000 0.981 358 T HN 0.315 nan 8.240 nan 0.000 0.439 359 Y N 2.824 123.247 120.300 0.206 0.000 2.328 359 Y HA 0.631 5.181 4.550 -0.000 0.000 0.337 359 Y C -0.272 175.641 175.900 0.021 0.000 0.966 359 Y CA -0.798 57.396 58.100 0.157 0.000 1.136 359 Y CB 0.919 39.549 38.460 0.283 0.000 1.170 359 Y HN 0.464 nan 8.280 nan 0.000 0.470 360 K N 4.181 124.227 120.400 -0.589 0.000 2.221 360 K HA 0.489 4.809 4.320 -0.000 0.000 0.258 360 K C -0.563 175.601 176.600 -0.727 0.000 0.944 360 K CA -0.646 55.357 56.287 -0.473 0.000 0.823 360 K CB 1.314 33.670 32.500 -0.240 0.000 1.113 360 K HN 0.756 nan 8.250 nan 0.000 0.431 361 S N 2.092 117.558 115.700 -0.391 0.000 2.593 361 S HA 0.089 4.559 4.470 -0.000 0.000 0.269 361 S C 1.436 175.950 174.600 -0.143 0.000 1.334 361 S CA -0.024 58.055 58.200 -0.202 0.000 1.015 361 S CB 1.447 64.658 63.200 0.019 0.000 0.912 361 S HN 0.743 nan 8.310 nan 0.000 0.541 362 K N 1.933 122.287 120.400 -0.077 0.000 2.026 362 K HA 0.074 4.394 4.320 -0.000 0.000 0.208 362 K C 1.319 177.898 176.600 -0.035 0.000 1.048 362 K CA 1.433 57.689 56.287 -0.052 0.000 0.929 362 K CB -1.367 31.119 32.500 -0.023 0.000 0.713 362 K HN 0.783 nan 8.250 nan 0.000 0.439 363 G N 0.660 109.449 108.800 -0.017 0.000 2.485 363 G HA2 0.278 4.238 3.960 -0.000 0.000 0.260 363 G HA3 0.278 4.238 3.960 -0.000 0.000 0.260 363 G C -0.559 174.332 174.900 -0.015 0.000 1.459 363 G CA -0.098 44.995 45.100 -0.012 0.000 1.060 363 G HN 0.443 nan 8.290 nan 0.000 0.546 364 D N -0.393 120.002 120.400 -0.010 0.000 2.455 364 D HA 0.187 4.827 4.640 -0.000 0.000 0.241 364 D C 0.107 176.402 176.300 -0.008 0.000 1.138 364 D CA 0.169 54.163 54.000 -0.010 0.000 0.877 364 D CB 1.536 42.331 40.800 -0.008 0.000 1.187 364 D HN -0.083 nan 8.370 nan 0.000 0.451 365 V N 4.533 124.441 119.914 -0.010 0.000 2.408 365 V HA 0.065 4.185 4.120 -0.000 0.000 0.267 365 V C 1.395 177.485 176.094 -0.006 0.000 1.047 365 V CA 0.043 62.339 62.300 -0.007 0.000 0.937 365 V CB 1.111 32.928 31.823 -0.009 0.000 0.999 365 V HN 0.448 nan 8.190 nan 0.000 0.472 366 K N 2.978 123.376 120.400 -0.004 0.000 2.348 366 K HA 0.233 4.553 4.320 -0.000 0.000 0.194 366 K C 0.305 176.892 176.600 -0.020 0.000 1.052 366 K CA 0.038 56.319 56.287 -0.010 0.000 1.004 366 K CB 0.504 33.001 32.500 -0.005 0.000 0.873 366 K HN 0.278 nan 8.250 nan 0.000 0.523 367 K N 1.462 121.853 120.400 -0.014 0.000 2.535 367 K HA 0.268 4.588 4.320 -0.000 0.000 0.250 367 K C -1.722 174.876 176.600 -0.005 0.000 0.948 367 K CA -0.334 55.937 56.287 -0.027 0.000 0.796 367 K CB 1.592 34.092 32.500 0.001 0.000 1.216 367 K HN -0.198 nan 8.250 nan 0.000 0.432 368 K N 3.906 124.295 120.400 -0.018 0.000 2.274 368 K HA 0.564 4.884 4.320 -0.000 0.000 0.262 368 K C -0.610 176.040 176.600 0.083 0.000 0.961 368 K CA -0.574 55.740 56.287 0.046 0.000 0.833 368 K CB 1.408 33.946 32.500 0.063 0.000 1.102 368 K HN 0.446 nan 8.250 nan 0.000 0.436 369 I N 1.935 122.589 120.570 0.140 0.000 2.498 369 I HA 0.379 4.549 4.170 -0.000 0.000 0.290 369 I C -0.627 175.600 176.117 0.182 0.000 1.032 369 I CA -0.915 60.508 61.300 0.204 0.000 1.073 369 I CB 2.131 40.270 38.000 0.232 0.000 1.251 369 I HN 0.588 nan 8.210 nan 0.000 0.426 370 A N 7.662 130.603 122.820 0.201 0.000 2.271 370 A HA 0.789 5.109 4.320 -0.000 0.000 0.317 370 A C -0.777 176.891 177.584 0.139 0.000 1.245 370 A CA -0.429 51.705 52.037 0.163 0.000 0.857 370 A CB 0.523 19.608 19.000 0.141 0.000 1.175 370 A HN 0.693 nan 8.150 nan 0.000 0.512 371 L N 3.575 124.838 121.223 0.067 0.000 2.280 371 L HA 0.483 4.823 4.340 -0.000 0.000 0.287 371 L C -0.853 176.086 176.870 0.115 0.000 1.023 371 L CA -0.755 54.140 54.840 0.091 0.000 0.819 371 L CB 1.619 43.724 42.059 0.076 0.000 1.212 371 L HN 0.414 nan 8.230 nan 0.000 0.420 372 V N 2.360 122.344 119.914 0.117 0.000 2.384 372 V HA 0.600 4.720 4.120 -0.000 0.000 0.287 372 V C 0.509 176.642 176.094 0.064 0.000 1.020 372 V CA -0.516 61.834 62.300 0.083 0.000 0.850 372 V CB 1.553 33.441 31.823 0.109 0.000 0.987 372 V HN 0.843 nan 8.190 nan 0.000 0.436 373 G N 3.092 111.900 108.800 0.012 0.000 2.372 373 G HA2 0.491 4.451 3.960 -0.000 0.000 0.323 373 G HA3 0.491 4.451 3.960 -0.000 0.000 0.323 373 G C -0.557 174.311 174.900 -0.054 0.000 1.152 373 G CA -0.708 44.394 45.100 0.003 0.000 0.906 373 G HN 0.683 nan 8.290 nan 0.000 0.460 374 K N 1.303 121.683 120.400 -0.033 0.000 2.416 374 K HA 0.339 4.659 4.320 -0.000 0.000 0.283 374 K C 0.559 177.107 176.600 -0.086 0.000 1.037 374 K CA -0.070 56.179 56.287 -0.063 0.000 0.995 374 K CB 0.476 32.953 32.500 -0.038 0.000 0.938 374 K HN 0.447 nan 8.250 nan 0.000 0.475 375 G N 6.196 114.936 108.800 -0.100 0.000 4.928 375 G HA2 0.254 4.214 3.960 -0.000 0.000 0.321 375 G HA3 0.254 4.214 3.960 -0.000 0.000 0.321 375 G C -0.496 174.381 174.900 -0.039 0.000 1.455 375 G CA -0.488 44.563 45.100 -0.080 0.000 1.081 375 G HN 0.488 nan 8.290 nan 0.000 0.569 376 I N 2.797 123.341 120.570 -0.044 0.000 2.291 376 I HA 0.141 4.311 4.170 -0.000 0.000 0.292 376 I C 1.807 177.922 176.117 -0.003 0.000 1.064 376 I CA -0.260 61.031 61.300 -0.016 0.000 1.269 376 I CB 0.366 38.342 38.000 -0.041 0.000 1.418 376 I HN 0.314 nan 8.210 nan 0.000 0.485 377 T N 3.091 117.668 114.554 0.039 0.000 2.942 377 T HA 0.007 4.357 4.350 -0.000 0.000 0.265 377 T C 0.320 175.124 174.700 0.173 0.000 1.062 377 T CA 0.682 62.816 62.100 0.058 0.000 1.139 377 T CB 0.075 68.947 68.868 0.007 0.000 0.883 377 T HN 0.282 nan 8.240 nan 0.000 0.468 378 F N 0.907 120.858 119.950 0.002 0.000 2.608 378 F HA 0.549 5.076 4.527 -0.000 0.000 0.309 378 F C -2.184 173.633 175.800 0.029 0.000 1.103 378 F CA -1.758 56.251 58.000 0.015 0.000 0.954 378 F CB 2.214 41.224 39.000 0.017 0.000 1.267 378 F HN -0.123 nan 8.300 nan 0.000 0.444 379 D N 2.364 122.225 120.400 -0.899 0.000 2.446 379 D HA 0.218 4.858 4.640 -0.000 0.000 0.251 379 D C 0.433 176.237 176.300 -0.826 0.000 1.137 379 D CA 0.081 53.725 54.000 -0.593 0.000 0.890 379 D CB 1.365 41.980 40.800 -0.308 0.000 1.071 379 D HN 0.484 nan 8.370 nan 0.000 0.528 380 S N 1.946 117.346 115.700 -0.500 0.000 2.496 380 S HA 0.230 4.700 4.470 -0.000 0.000 0.224 380 S C 1.692 176.217 174.600 -0.124 0.000 0.996 380 S CA 0.686 58.753 58.200 -0.221 0.000 0.927 380 S CB 0.187 63.466 63.200 0.132 0.000 0.774 380 S HN 0.732 nan 8.310 nan 0.000 0.524 381 G N 0.523 109.256 108.800 -0.112 0.000 2.232 381 G HA2 0.173 4.133 3.960 -0.000 0.000 0.226 381 G HA3 0.173 4.133 3.960 -0.000 0.000 0.226 381 G C 1.182 176.074 174.900 -0.013 0.000 0.996 381 G CA 0.254 45.322 45.100 -0.052 0.000 0.626 381 G HN 1.825 nan 8.290 nan 0.000 0.509 382 G N -0.794 107.998 108.800 -0.013 0.000 2.598 382 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.244 382 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.244 382 G C 0.492 175.329 174.900 -0.105 0.000 1.302 382 G CA 0.529 45.620 45.100 -0.014 0.000 0.903 382 G HN 1.063 nan 8.290 nan 0.000 0.575 383 Y N 1.124 121.397 120.300 -0.045 0.000 2.315 383 Y HA -0.073 4.477 4.550 -0.000 0.000 0.288 383 Y C 2.407 178.271 175.900 -0.060 0.000 1.154 383 Y CA 1.987 60.053 58.100 -0.056 0.000 1.229 383 Y CB -0.258 38.153 38.460 -0.082 0.000 0.980 383 Y HN 0.431 nan 8.280 nan 0.000 0.540 384 N N 1.108 119.834 118.700 0.044 0.000 3.210 384 N HA 0.104 4.844 4.740 -0.000 0.000 0.314 384 N C -0.666 174.837 175.510 -0.011 0.000 1.291 384 N CA -0.216 52.836 53.050 0.004 0.000 1.202 384 N CB -0.290 38.183 38.487 -0.023 0.000 1.475 384 N HN 0.100 nan 8.380 nan 0.000 0.554 385 L N 0.749 121.963 121.223 -0.014 0.000 2.543 385 L HA -0.046 4.294 4.340 -0.000 0.000 0.285 385 L C 0.201 177.059 176.870 -0.020 0.000 1.236 385 L CA 0.301 55.124 54.840 -0.028 0.000 0.871 385 L CB 0.433 42.474 42.059 -0.030 0.000 1.121 385 L HN 0.243 nan 8.230 nan 0.000 0.501 386 K N 5.254 125.638 120.400 -0.026 0.000 2.095 386 K HA 0.191 4.511 4.320 -0.000 0.000 0.258 386 K C 0.487 177.082 176.600 -0.008 0.000 1.120 386 K CA 0.579 56.852 56.287 -0.022 0.000 1.026 386 K CB 0.026 32.502 32.500 -0.041 0.000 1.256 386 K HN 0.763 nan 8.250 nan 0.000 0.360 387 A N 1.863 124.680 122.820 -0.006 0.000 2.287 387 A HA 0.279 4.599 4.320 -0.000 0.000 0.214 387 A C 0.817 178.400 177.584 -0.002 0.000 1.228 387 A CA -0.067 51.969 52.037 -0.002 0.000 0.939 387 A CB 0.485 19.485 19.000 -0.001 0.000 0.992 387 A HN 0.583 nan 8.150 nan 0.000 0.502 388 A N 1.319 124.137 122.820 -0.004 0.000 2.445 388 A HA 0.542 4.862 4.320 -0.000 0.000 0.242 388 A C -2.466 175.117 177.584 -0.002 0.000 1.075 388 A CA -0.979 51.056 52.037 -0.003 0.000 0.777 388 A CB -0.548 18.451 19.000 -0.003 0.000 1.013 388 A HN 0.202 nan 8.150 nan 0.000 0.493 389 P HA 0.273 nan 4.420 nan 0.000 0.265 389 P C 0.968 178.269 177.300 0.001 0.000 1.193 389 P CA 1.726 64.825 63.100 -0.002 0.000 0.765 389 P CB 0.597 32.296 31.700 -0.001 0.000 0.823 390 G N 2.235 111.031 108.800 -0.006 0.000 2.162 390 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 390 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 390 G C 1.051 175.949 174.900 -0.003 0.000 0.976 390 G CA 0.583 45.678 45.100 -0.008 0.000 0.655 390 G HN 0.619 nan 8.290 nan 0.000 0.533 391 S N -0.693 115.005 115.700 -0.004 0.000 2.527 391 S HA 0.317 4.787 4.470 -0.000 0.000 0.222 391 S C 1.465 176.051 174.600 -0.022 0.000 0.985 391 S CA 1.094 59.291 58.200 -0.004 0.000 0.921 391 S CB -0.263 62.934 63.200 -0.006 0.000 0.772 391 S HN 1.225 nan 8.310 nan 0.000 0.529 392 M N 0.280 119.860 119.600 -0.035 0.000 2.249 392 M HA -0.165 4.315 4.480 -0.000 0.000 0.198 392 M C 0.662 176.916 176.300 -0.077 0.000 0.394 392 M CA 0.262 55.523 55.300 -0.065 0.000 0.427 392 M CB -1.513 31.035 32.600 -0.087 0.000 1.307 392 M HN 0.552 nan 8.290 nan 0.000 0.924 393 I N 1.350 121.899 120.570 -0.035 0.000 2.335 393 I HA -0.272 3.898 4.170 -0.000 0.000 0.251 393 I C 2.088 178.243 176.117 0.064 0.000 1.129 393 I CA 2.399 63.695 61.300 -0.006 0.000 1.402 393 I CB -0.028 38.001 38.000 0.048 0.000 1.069 393 I HN 0.599 nan 8.210 nan 0.000 0.424 394 D N 0.464 120.873 120.400 0.015 0.000 2.371 394 D HA -0.202 4.438 4.640 -0.000 0.000 0.221 394 D C 1.890 178.128 176.300 -0.103 0.000 0.986 394 D CA 0.621 54.623 54.000 0.005 0.000 0.899 394 D CB -0.214 40.563 40.800 -0.039 0.000 0.902 394 D HN 0.411 nan 8.370 nan 0.000 0.530 395 L N -0.472 120.618 121.223 -0.221 0.000 2.554 395 L HA 0.168 4.508 4.340 -0.000 0.000 0.225 395 L C 1.751 178.441 176.870 -0.300 0.000 1.104 395 L CA 0.241 54.764 54.840 -0.527 0.000 0.866 395 L CB -0.059 41.530 42.059 -0.783 0.000 1.047 395 L HN -0.207 nan 8.230 nan 0.000 0.468 396 M N 0.097 119.671 119.600 -0.043 0.000 2.686 396 M HA -0.071 4.409 4.480 -0.000 0.000 0.246 396 M C 1.777 178.174 176.300 0.161 0.000 1.096 396 M CA 0.734 56.042 55.300 0.014 0.000 1.076 396 M CB -0.932 31.412 32.600 -0.427 0.000 1.504 396 M HN 0.387 nan 8.290 nan 0.000 0.524 397 K N 0.258 120.818 120.400 0.266 0.000 2.362 397 K HA -0.147 4.173 4.320 -0.000 0.000 0.200 397 K C 1.583 178.298 176.600 0.192 0.000 1.046 397 K CA 1.146 57.574 56.287 0.235 0.000 0.952 397 K CB -0.873 31.695 32.500 0.114 0.000 0.753 397 K HN 0.454 nan 8.250 nan 0.000 0.466 398 F N 0.452 120.356 119.950 -0.077 0.000 2.811 398 F HA 0.187 4.714 4.527 -0.000 0.000 0.301 398 F C 0.928 176.718 175.800 -0.016 0.000 1.151 398 F CA -0.338 57.643 58.000 -0.032 0.000 1.412 398 F CB 0.083 39.041 39.000 -0.071 0.000 1.113 398 F HN -0.118 nan 8.300 nan 0.000 0.579 399 D N 1.857 122.130 120.400 -0.211 0.000 2.378 399 D HA -0.061 4.579 4.640 -0.000 0.000 0.227 399 D C 1.379 177.539 176.300 -0.234 0.000 1.012 399 D CA 0.781 54.551 54.000 -0.384 0.000 0.905 399 D CB -0.042 40.654 40.800 -0.174 0.000 0.895 399 D HN 0.491 nan 8.370 nan 0.000 0.532 400 M N -2.287 117.224 119.600 -0.148 0.000 2.475 400 M HA 0.379 4.859 4.480 -0.000 0.000 0.261 400 M C 1.473 177.714 176.300 -0.100 0.000 1.177 400 M CA -0.173 55.067 55.300 -0.101 0.000 0.979 400 M CB 0.183 32.751 32.600 -0.053 0.000 1.482 400 M HN -0.320 nan 8.290 nan 0.000 0.484 401 S N 1.660 117.269 115.700 -0.152 0.000 2.374 401 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 401 S C 2.042 176.612 174.600 -0.051 0.000 1.037 401 S CA 1.924 60.070 58.200 -0.091 0.000 1.024 401 S CB -0.941 62.181 63.200 -0.130 0.000 0.861 401 S HN 0.788 nan 8.310 nan 0.000 0.456 402 G N 0.019 108.777 108.800 -0.069 0.000 2.418 402 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 402 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 402 G C 1.739 176.638 174.900 -0.001 0.000 1.158 402 G CA 1.041 46.131 45.100 -0.017 0.000 0.771 402 G HN 0.610 nan 8.290 nan 0.000 0.545 403 C N 0.968 120.251 119.300 -0.028 0.000 2.425 403 C HA 0.236 4.696 4.460 -0.000 0.000 0.277 403 C C 3.409 178.405 174.990 0.009 0.000 1.280 403 C CA 1.501 60.509 59.018 -0.017 0.000 1.744 403 C CB -1.077 26.634 27.740 -0.047 0.000 1.989 403 C HN 0.531 nan 8.230 nan 0.000 0.491 404 A N 0.598 123.410 122.820 -0.014 0.000 1.877 404 A HA 0.104 4.424 4.320 -0.000 0.000 0.216 404 A C 2.531 180.126 177.584 0.019 0.000 1.186 404 A CA 2.308 54.333 52.037 -0.021 0.000 0.620 404 A CB -1.292 17.672 19.000 -0.061 0.000 0.822 404 A HN 0.862 nan 8.150 nan 0.000 0.443 405 A N -0.570 122.266 122.820 0.025 0.000 1.883 405 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 405 A C 2.253 179.879 177.584 0.070 0.000 1.186 405 A CA 1.966 54.026 52.037 0.038 0.000 0.624 405 A CB -1.102 17.932 19.000 0.056 0.000 0.822 405 A HN 0.431 nan 8.150 nan 0.000 0.444 406 V N 0.059 120.034 119.914 0.103 0.000 2.332 406 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 406 V C 2.583 178.768 176.094 0.151 0.000 1.055 406 V CA 2.037 64.453 62.300 0.194 0.000 1.038 406 V CB -0.705 31.241 31.823 0.206 0.000 0.651 406 V HN 0.567 nan 8.190 nan 0.000 0.450 407 L N 0.074 121.353 121.223 0.094 0.000 2.056 407 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 407 L C 2.660 179.552 176.870 0.037 0.000 1.078 407 L CA 1.687 56.562 54.840 0.058 0.000 0.749 407 L CB -1.162 41.008 42.059 0.185 0.000 0.901 407 L HN 0.467 nan 8.230 nan 0.000 0.433 408 G N -0.941 107.930 108.800 0.117 0.000 2.422 408 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.218 408 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.218 408 G C 1.815 176.739 174.900 0.039 0.000 1.146 408 G CA 0.867 46.021 45.100 0.090 0.000 0.769 408 G HN 0.477 nan 8.290 nan 0.000 0.547 409 C N 0.870 120.184 119.300 0.022 0.000 2.446 409 C HA 0.230 4.690 4.460 -0.000 0.000 0.277 409 C C 3.434 178.383 174.990 -0.069 0.000 1.275 409 C CA 1.506 60.549 59.018 0.042 0.000 1.727 409 C CB -1.082 26.768 27.740 0.185 0.000 2.010 409 C HN 0.552 nan 8.230 nan 0.000 0.486 410 A N -0.774 121.795 122.820 -0.419 0.000 1.908 410 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 410 A C 2.048 179.393 177.584 -0.398 0.000 1.181 410 A CA 2.039 53.480 52.037 -0.993 0.000 0.627 410 A CB -1.306 16.914 19.000 -1.301 0.000 0.818 410 A HN 0.837 nan 8.150 nan 0.000 0.445 411 Y N 0.358 120.477 120.300 -0.301 0.000 2.081 411 Y HA -0.337 4.213 4.550 -0.000 0.000 0.280 411 Y C 2.602 178.461 175.900 -0.069 0.000 1.163 411 Y CA 1.790 59.786 58.100 -0.172 0.000 1.135 411 Y CB -0.921 37.444 38.460 -0.158 0.000 0.970 411 Y HN 0.386 nan 8.280 nan 0.000 0.498 412 C N -0.914 118.311 119.300 -0.125 0.000 2.432 412 C HA -0.153 4.307 4.460 -0.000 0.000 0.277 412 C C 2.829 177.717 174.990 -0.169 0.000 1.249 412 C CA 1.073 60.023 59.018 -0.112 0.000 1.725 412 C CB -1.299 26.477 27.740 0.060 0.000 2.028 412 C HN 0.521 nan 8.230 nan 0.000 0.477 413 V N 1.413 121.231 119.914 -0.159 0.000 2.295 413 V HA -0.101 4.019 4.120 -0.000 0.000 0.246 413 V C 2.693 178.529 176.094 -0.431 0.000 1.049 413 V CA 2.431 64.577 62.300 -0.257 0.000 1.024 413 V CB -1.529 30.221 31.823 -0.121 0.000 0.648 413 V HN 0.657 nan 8.190 nan 0.000 0.447 414 G N -0.847 107.758 108.800 -0.325 0.000 2.448 414 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 414 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 414 G C 1.650 176.437 174.900 -0.187 0.000 1.127 414 G CA 1.584 46.575 45.100 -0.183 0.000 0.766 414 G HN 0.499 nan 8.290 nan 0.000 0.552 415 T N 0.778 115.132 114.554 -0.334 0.000 2.901 415 T HA 0.113 4.463 4.350 -0.000 0.000 0.252 415 T C 2.298 176.909 174.700 -0.148 0.000 1.035 415 T CA 0.348 62.273 62.100 -0.292 0.000 1.142 415 T CB -0.098 68.456 68.868 -0.524 0.000 0.869 415 T HN 0.128 nan 8.240 nan 0.000 0.442 416 L N 0.417 121.558 121.223 -0.138 0.000 2.478 416 L HA 0.181 4.521 4.340 -0.000 0.000 0.223 416 L C 0.352 177.192 176.870 -0.050 0.000 1.140 416 L CA 0.295 55.097 54.840 -0.062 0.000 0.842 416 L CB -0.449 41.599 42.059 -0.019 0.000 0.953 416 L HN 0.236 nan 8.230 nan 0.000 0.452 417 K N 0.331 120.678 120.400 -0.089 0.000 4.007 417 K HA -0.155 4.165 4.320 -0.000 0.000 0.279 417 K C -2.198 174.449 176.600 0.078 0.000 0.919 417 K CA -0.305 56.002 56.287 0.034 0.000 0.800 417 K CB -1.345 31.238 32.500 0.137 0.000 1.572 417 K HN 0.244 nan 8.250 nan 0.000 0.443 418 P HA 0.037 nan 4.420 nan 0.000 0.272 418 P C -0.215 177.183 177.300 0.163 0.000 1.230 418 P CA 0.128 63.258 63.100 0.051 0.000 0.788 418 P CB 0.734 32.429 31.700 -0.009 0.000 0.949 419 E N 0.554 120.813 120.200 0.098 0.000 2.232 419 E HA 0.207 4.557 4.350 -0.000 0.000 0.265 419 E C 0.240 176.883 176.600 0.072 0.000 1.001 419 E CA -0.688 55.766 56.400 0.090 0.000 0.870 419 E CB 0.342 30.071 29.700 0.050 0.000 1.175 419 E HN 0.346 nan 8.360 nan 0.000 0.407 420 N N -1.085 117.646 118.700 0.052 0.000 2.753 420 N HA -0.167 4.573 4.740 -0.000 0.000 0.251 420 N C -0.733 174.799 175.510 0.037 0.000 1.097 420 N CA 1.220 54.288 53.050 0.030 0.000 0.786 420 N CB -1.872 36.625 38.487 0.016 0.000 1.137 420 N HN 0.280 nan 8.380 nan 0.000 0.566 421 V N -2.823 117.138 119.914 0.078 0.000 2.823 421 V HA 0.724 4.844 4.120 -0.000 0.000 0.312 421 V C 0.099 176.250 176.094 0.094 0.000 1.072 421 V CA -0.946 61.405 62.300 0.085 0.000 0.937 421 V CB 2.951 34.832 31.823 0.097 0.000 1.013 421 V HN 0.154 nan 8.190 nan 0.000 0.430 422 E N 2.599 122.827 120.200 0.047 0.000 2.191 422 E HA 0.698 5.048 4.350 -0.000 0.000 0.263 422 E C -1.657 174.919 176.600 -0.040 0.000 0.881 422 E CA -0.775 55.618 56.400 -0.011 0.000 0.757 422 E CB 1.857 31.537 29.700 -0.034 0.000 1.147 422 E HN 0.800 nan 8.360 nan 0.000 0.414 423 I N 4.138 124.658 120.570 -0.083 0.000 2.465 423 I HA 0.278 4.448 4.170 -0.000 0.000 0.291 423 I C -0.413 175.409 176.117 -0.493 0.000 1.014 423 I CA -0.736 60.407 61.300 -0.261 0.000 1.093 423 I CB 1.564 39.369 38.000 -0.325 0.000 1.267 423 I HN 0.461 nan 8.210 nan 0.000 0.431 424 H N 6.188 125.127 119.070 -0.217 0.000 2.476 424 H HA 0.402 4.958 4.556 -0.000 0.000 0.328 424 H C -1.230 173.952 175.328 -0.244 0.000 1.073 424 H CA -0.459 55.561 56.048 -0.046 0.000 1.229 424 H CB 1.342 31.160 29.762 0.092 0.000 1.432 424 H HN 0.333 nan 8.280 nan 0.000 0.477 425 F N 3.735 123.876 119.950 0.318 0.000 2.388 425 F HA 0.344 4.871 4.527 -0.000 0.000 0.358 425 F C 0.051 175.957 175.800 0.177 0.000 1.122 425 F CA -0.592 57.535 58.000 0.212 0.000 1.056 425 F CB 0.963 40.073 39.000 0.183 0.000 1.155 425 F HN 0.167 nan 8.300 nan 0.000 0.461 426 L N 2.780 124.123 121.223 0.200 0.000 2.362 426 L HA 0.697 5.037 4.340 -0.000 0.000 0.275 426 L C -0.313 176.436 176.870 -0.202 0.000 0.998 426 L CA -0.683 54.151 54.840 -0.011 0.000 0.820 426 L CB 2.195 44.266 42.059 0.019 0.000 1.270 426 L HN 0.545 nan 8.230 nan 0.000 0.415 427 S N 1.722 117.126 115.700 -0.494 0.000 2.614 427 S HA 0.701 5.171 4.470 -0.000 0.000 0.275 427 S C -0.715 173.290 174.600 -0.992 0.000 1.161 427 S CA -0.448 57.422 58.200 -0.550 0.000 0.969 427 S CB 1.700 64.752 63.200 -0.247 0.000 1.059 427 S HN 0.694 nan 8.310 nan 0.000 0.482 428 A N 4.649 126.852 122.820 -1.029 0.000 2.539 428 A HA 0.582 4.902 4.320 -0.000 0.000 0.306 428 A C -0.185 177.111 177.584 -0.479 0.000 1.392 428 A CA -0.345 50.986 52.037 -1.177 0.000 1.060 428 A CB -0.315 17.808 19.000 -1.462 0.000 1.134 428 A HN 0.785 nan 8.150 nan 0.000 0.542 429 V N 2.759 122.621 119.914 -0.087 0.000 2.439 429 V HA 0.537 4.657 4.120 -0.000 0.000 0.282 429 V C 0.515 176.769 176.094 0.267 0.000 1.039 429 V CA -0.171 62.173 62.300 0.073 0.000 0.913 429 V CB 0.150 31.986 31.823 0.023 0.000 0.983 429 V HN 1.261 nan 8.190 nan 0.000 0.460 430 C N 2.287 121.699 119.300 0.186 0.000 3.284 430 C HA 0.779 5.239 4.460 -0.000 0.000 0.348 430 C C -0.980 174.074 174.990 0.106 0.000 1.448 430 C CA -0.861 58.246 59.018 0.148 0.000 1.223 430 C CB 1.625 29.446 27.740 0.136 0.000 1.588 430 C HN 0.896 nan 8.230 nan 0.000 0.451 431 E N 0.851 121.121 120.200 0.117 0.000 2.234 431 E HA 0.434 4.784 4.350 -0.000 0.000 0.266 431 E C -1.457 175.216 176.600 0.122 0.000 0.877 431 E CA -0.274 56.214 56.400 0.146 0.000 0.758 431 E CB 1.464 31.302 29.700 0.231 0.000 1.170 431 E HN 0.646 nan 8.360 nan 0.000 0.415 432 N N 5.132 123.895 118.700 0.104 0.000 2.589 432 N HA 0.202 4.942 4.740 -0.000 0.000 0.232 432 N C -1.076 174.499 175.510 0.109 0.000 1.015 432 N CA -0.093 53.010 53.050 0.089 0.000 0.931 432 N CB 0.326 38.844 38.487 0.051 0.000 1.150 432 N HN 0.419 nan 8.380 nan 0.000 0.512 433 M N 1.336 121.007 119.600 0.118 0.000 2.761 433 M HA 0.475 4.955 4.480 -0.000 0.000 0.305 433 M C -0.582 175.723 176.300 0.009 0.000 1.235 433 M CA -1.079 54.279 55.300 0.097 0.000 0.850 433 M CB 1.623 34.285 32.600 0.103 0.000 1.744 433 M HN -0.069 nan 8.290 nan 0.000 0.480 434 V N 0.818 120.689 119.914 -0.072 0.000 2.370 434 V HA 0.671 4.791 4.120 -0.000 0.000 0.283 434 V C -0.133 175.866 176.094 -0.158 0.000 1.023 434 V CA -0.224 61.915 62.300 -0.269 0.000 0.857 434 V CB 1.310 32.912 31.823 -0.368 0.000 0.985 434 V HN 0.948 nan 8.190 nan 0.000 0.443 435 S N 3.310 118.950 115.700 -0.100 0.000 2.565 435 S HA 0.350 4.820 4.470 -0.000 0.000 0.269 435 S C 0.690 175.383 174.600 0.154 0.000 1.153 435 S CA -0.331 57.885 58.200 0.026 0.000 0.835 435 S CB 1.769 64.990 63.200 0.034 0.000 1.122 435 S HN 0.853 nan 8.310 nan 0.000 0.462 436 K N 1.823 122.298 120.400 0.124 0.000 2.362 436 K HA -0.075 4.245 4.320 -0.000 0.000 0.202 436 K C 0.780 177.453 176.600 0.122 0.000 1.045 436 K CA 2.177 58.544 56.287 0.132 0.000 0.936 436 K CB -0.593 31.949 32.500 0.070 0.000 0.747 436 K HN 0.553 nan 8.250 nan 0.000 0.467 437 N N 0.275 119.041 118.700 0.111 0.000 2.236 437 N HA 0.059 4.799 4.740 -0.000 0.000 0.196 437 N C -0.616 174.977 175.510 0.137 0.000 1.114 437 N CA -0.347 52.759 53.050 0.092 0.000 0.859 437 N CB 0.653 39.171 38.487 0.052 0.000 0.982 437 N HN 0.042 nan 8.380 nan 0.000 0.493 438 S N 0.920 116.753 115.700 0.221 0.000 2.584 438 S HA 0.009 4.478 4.470 -0.000 0.000 0.270 438 S C -0.193 174.614 174.600 0.346 0.000 1.346 438 S CA -0.513 57.870 58.200 0.306 0.000 1.018 438 S CB 0.147 63.571 63.200 0.372 0.000 0.899 438 S HN 0.287 nan 8.310 nan 0.000 0.542 439 Y N 0.746 121.112 120.300 0.111 0.000 2.379 439 Y HA 0.609 5.159 4.550 -0.000 0.000 0.337 439 Y C 0.106 176.066 175.900 0.100 0.000 1.238 439 Y CA -1.303 56.842 58.100 0.074 0.000 1.405 439 Y CB 0.133 38.621 38.460 0.047 0.000 1.310 439 Y HN 0.442 nan 8.280 nan 0.000 0.569 440 R N 2.409 122.845 120.500 -0.107 0.000 2.720 440 R HA 0.491 4.831 4.340 -0.000 0.000 0.272 440 R C -2.650 173.478 176.300 -0.286 0.000 0.991 440 R CA -2.254 53.702 56.100 -0.239 0.000 1.010 440 R CB 0.644 30.799 30.300 -0.242 0.000 1.141 440 R HN 0.467 nan 8.270 nan 0.000 0.494 441 P HA -0.034 nan 4.420 nan 0.000 0.262 441 P C 0.509 177.735 177.300 -0.122 0.000 1.182 441 P CA 0.934 63.928 63.100 -0.176 0.000 0.761 441 P CB 0.643 32.270 31.700 -0.121 0.000 0.795 442 G N 2.342 111.093 108.800 -0.080 0.000 2.284 442 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 442 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 442 G C -0.081 174.803 174.900 -0.026 0.000 1.009 442 G CA -0.291 44.780 45.100 -0.048 0.000 0.625 442 G HN 0.507 nan 8.290 nan 0.000 0.501 443 D N 0.800 121.185 120.400 -0.025 0.000 2.506 443 D HA 0.374 5.014 4.640 -0.000 0.000 0.234 443 D C 0.691 177.029 176.300 0.063 0.000 1.143 443 D CA 0.599 54.614 54.000 0.025 0.000 0.871 443 D CB 0.628 41.473 40.800 0.075 0.000 1.190 443 D HN 0.404 nan 8.370 nan 0.000 0.459 444 I N 3.373 123.981 120.570 0.064 0.000 2.362 444 I HA 0.316 4.486 4.170 -0.000 0.000 0.289 444 I C 0.279 176.454 176.117 0.096 0.000 0.994 444 I CA -0.681 60.672 61.300 0.088 0.000 1.158 444 I CB 0.806 38.853 38.000 0.079 0.000 1.315 444 I HN 0.218 nan 8.210 nan 0.000 0.451 445 I N 1.972 122.615 120.570 0.121 0.000 2.957 445 I HA 0.664 4.834 4.170 -0.000 0.000 0.310 445 I C -0.769 175.419 176.117 0.118 0.000 1.063 445 I CA -0.492 60.874 61.300 0.112 0.000 1.033 445 I CB 2.442 40.514 38.000 0.120 0.000 1.230 445 I HN 0.287 nan 8.210 nan 0.000 0.447 446 T N 3.169 117.783 114.554 0.100 0.000 2.791 446 T HA 0.668 5.018 4.350 -0.000 0.000 0.288 446 T C 0.146 174.913 174.700 0.112 0.000 0.999 446 T CA -0.442 61.721 62.100 0.106 0.000 0.952 446 T CB 1.320 70.235 68.868 0.079 0.000 0.938 446 T HN 0.846 nan 8.240 nan 0.000 0.444 447 A N 2.297 125.210 122.820 0.155 0.000 2.327 447 A HA 0.494 4.814 4.320 -0.000 0.000 0.255 447 A C 1.674 179.338 177.584 0.134 0.000 1.099 447 A CA -0.220 51.909 52.037 0.154 0.000 0.801 447 A CB 0.033 19.193 19.000 0.267 0.000 1.062 447 A HN 0.951 nan 8.150 nan 0.000 0.496 448 S N 0.244 116.014 115.700 0.117 0.000 2.500 448 S HA -0.155 4.315 4.470 -0.000 0.000 0.239 448 S C 0.925 175.576 174.600 0.085 0.000 0.989 448 S CA 1.147 59.403 58.200 0.093 0.000 0.951 448 S CB -0.526 62.726 63.200 0.087 0.000 0.759 448 S HN 0.894 nan 8.310 nan 0.000 0.523 449 N N 0.908 119.678 118.700 0.118 0.000 2.270 449 N HA 0.242 4.982 4.740 -0.000 0.000 0.198 449 N C 1.194 176.731 175.510 0.045 0.000 1.117 449 N CA 0.529 53.621 53.050 0.071 0.000 0.845 449 N CB -0.329 38.200 38.487 0.069 0.000 0.980 449 N HN 0.523 nan 8.380 nan 0.000 0.486 450 G N 0.123 108.964 108.800 0.067 0.000 2.199 450 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.254 450 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.254 450 G C -0.156 174.774 174.900 0.050 0.000 0.982 450 G CA 0.177 45.306 45.100 0.048 0.000 0.632 450 G HN 0.465 nan 8.290 nan 0.000 0.529 451 K N 2.270 122.706 120.400 0.061 0.000 2.416 451 K HA 0.386 4.705 4.320 -0.000 0.000 0.283 451 K C 0.948 177.624 176.600 0.127 0.000 1.037 451 K CA 0.739 57.058 56.287 0.053 0.000 0.995 451 K CB 0.444 32.924 32.500 -0.034 0.000 0.938 451 K HN 0.427 nan 8.250 nan 0.000 0.475 452 T N 0.640 115.254 114.554 0.101 0.000 2.889 452 T HA 0.510 4.860 4.350 -0.000 0.000 0.291 452 T C 0.191 174.992 174.700 0.168 0.000 0.995 452 T CA -0.749 61.426 62.100 0.126 0.000 1.092 452 T CB 0.487 69.414 68.868 0.098 0.000 0.954 452 T HN 0.339 nan 8.240 nan 0.000 0.506 453 I N 1.874 122.564 120.570 0.200 0.000 2.447 453 I HA 0.333 4.503 4.170 -0.000 0.000 0.287 453 I C 0.064 176.294 176.117 0.188 0.000 1.023 453 I CA -0.813 60.639 61.300 0.254 0.000 1.083 453 I CB 2.122 40.333 38.000 0.352 0.000 1.245 453 I HN 0.750 nan 8.210 nan 0.000 0.434 454 E N 5.971 126.273 120.200 0.171 0.000 2.194 454 E HA 0.318 4.668 4.350 -0.000 0.000 0.284 454 E C -1.094 175.564 176.600 0.097 0.000 1.035 454 E CA -0.601 55.875 56.400 0.126 0.000 0.836 454 E CB 1.167 30.943 29.700 0.125 0.000 1.070 454 E HN 0.380 nan 8.360 nan 0.000 0.401 455 V N 5.367 125.325 119.914 0.074 0.000 2.405 455 V HA 0.150 4.270 4.120 -0.000 0.000 0.264 455 V C 1.197 177.281 176.094 -0.017 0.000 1.048 455 V CA 0.597 62.917 62.300 0.034 0.000 0.966 455 V CB 1.023 32.868 31.823 0.038 0.000 1.015 455 V HN 0.951 nan 8.190 nan 0.000 0.477 456 G N 3.845 112.630 108.800 -0.025 0.000 2.603 456 G HA2 0.007 3.967 3.960 -0.000 0.000 0.214 456 G HA3 0.007 3.967 3.960 -0.000 0.000 0.214 456 G C 0.572 175.437 174.900 -0.058 0.000 1.140 456 G CA 0.106 45.186 45.100 -0.033 0.000 0.800 456 G HN 0.597 nan 8.290 nan 0.000 0.533 457 N N -0.266 118.388 118.700 -0.076 0.000 2.648 457 N HA 0.028 4.768 4.740 -0.000 0.000 0.272 457 N C 1.000 176.452 175.510 -0.097 0.000 1.118 457 N CA 0.343 53.344 53.050 -0.082 0.000 0.973 457 N CB 1.211 39.664 38.487 -0.056 0.000 1.565 457 N HN -0.019 nan 8.380 nan 0.000 0.542 458 T N -0.897 113.559 114.554 -0.164 0.000 3.051 458 T HA -0.079 4.271 4.350 -0.000 0.000 0.269 458 T C 0.969 175.687 174.700 0.030 0.000 1.127 458 T CA 1.005 62.978 62.100 -0.211 0.000 1.107 458 T CB 0.112 68.742 68.868 -0.396 0.000 0.898 458 T HN 0.326 nan 8.240 nan 0.000 0.517 459 D N 1.556 121.951 120.400 -0.007 0.000 2.349 459 D HA 0.240 4.880 4.640 -0.000 0.000 0.215 459 D C 1.286 177.586 176.300 0.001 0.000 1.016 459 D CA 0.192 54.194 54.000 0.002 0.000 0.870 459 D CB -0.276 40.514 40.800 -0.018 0.000 0.917 459 D HN 0.542 nan 8.370 nan 0.000 0.524 460 A N 1.125 123.940 122.820 -0.009 0.000 3.197 460 A HA 0.102 4.422 4.320 -0.000 0.000 0.263 460 A C 1.509 179.077 177.584 -0.028 0.000 1.524 460 A CA -0.253 51.760 52.037 -0.041 0.000 1.176 460 A CB -0.356 18.589 19.000 -0.093 0.000 1.096 460 A HN 0.174 nan 8.150 nan 0.000 0.655 461 E N 0.238 120.454 120.200 0.028 0.000 2.230 461 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 461 E C 1.595 178.192 176.600 -0.006 0.000 0.987 461 E CA 1.262 57.694 56.400 0.055 0.000 0.841 461 E CB -0.966 28.792 29.700 0.097 0.000 0.783 461 E HN 0.364 nan 8.360 nan 0.000 0.481 462 G N 3.071 111.860 108.800 -0.018 0.000 2.514 462 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.217 462 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.217 462 G C 1.871 176.756 174.900 -0.025 0.000 1.198 462 G CA 1.954 47.042 45.100 -0.020 0.000 0.780 462 G HN 0.491 nan 8.290 nan 0.000 0.565 463 R N 0.401 120.872 120.500 -0.048 0.000 2.159 463 R HA 0.055 4.395 4.340 -0.000 0.000 0.237 463 R C 2.366 178.669 176.300 0.005 0.000 1.131 463 R CA 1.362 57.446 56.100 -0.027 0.000 0.982 463 R CB -0.628 29.587 30.300 -0.142 0.000 0.868 463 R HN 0.424 nan 8.270 nan 0.000 0.453 464 L N 1.578 122.764 121.223 -0.061 0.000 2.072 464 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 464 L C 2.891 179.752 176.870 -0.016 0.000 1.079 464 L CA 1.862 56.690 54.840 -0.019 0.000 0.752 464 L CB -0.853 41.197 42.059 -0.016 0.000 0.906 464 L HN 0.446 nan 8.230 nan 0.000 0.436 465 T N -1.766 112.787 114.554 -0.002 0.000 2.821 465 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 465 T C 1.868 176.502 174.700 -0.109 0.000 1.046 465 T CA 0.929 63.021 62.100 -0.013 0.000 1.139 465 T CB -0.516 68.345 68.868 -0.011 0.000 0.871 465 T HN 0.191 nan 8.240 nan 0.000 0.454 466 L N 1.028 122.205 121.223 -0.076 0.000 2.093 466 L HA 0.111 4.451 4.340 -0.000 0.000 0.208 466 L C 3.343 180.149 176.870 -0.107 0.000 1.085 466 L CA 0.945 55.748 54.840 -0.062 0.000 0.755 466 L CB -0.821 41.244 42.059 0.009 0.000 0.904 466 L HN 0.379 nan 8.230 nan 0.000 0.435 467 A N 0.187 122.869 122.820 -0.229 0.000 1.873 467 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 467 A C 2.015 179.399 177.584 -0.333 0.000 1.193 467 A CA 2.292 53.949 52.037 -0.633 0.000 0.629 467 A CB -0.666 17.518 19.000 -1.359 0.000 0.826 467 A HN 0.358 nan 8.150 nan 0.000 0.447 468 D N -0.341 119.955 120.400 -0.174 0.000 2.144 468 D HA -0.031 4.609 4.640 -0.000 0.000 0.199 468 D C 2.226 178.580 176.300 0.089 0.000 0.984 468 D CA 1.404 55.406 54.000 0.002 0.000 0.834 468 D CB -0.356 40.502 40.800 0.097 0.000 0.955 468 D HN 0.435 nan 8.370 nan 0.000 0.465 469 A N 0.546 123.410 122.820 0.074 0.000 1.933 469 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 469 A C 2.393 180.091 177.584 0.191 0.000 1.175 469 A CA 0.791 52.945 52.037 0.194 0.000 0.628 469 A CB -0.611 18.383 19.000 -0.009 0.000 0.814 469 A HN 0.197 nan 8.150 nan 0.000 0.444 470 L N -0.711 120.562 121.223 0.084 0.000 2.072 470 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 470 L C 2.526 179.440 176.870 0.074 0.000 1.079 470 L CA 0.909 55.787 54.840 0.063 0.000 0.752 470 L CB -0.570 41.467 42.059 -0.037 0.000 0.906 470 L HN 0.230 nan 8.230 nan 0.000 0.436 471 V N -0.727 119.243 119.914 0.092 0.000 2.287 471 V HA -0.366 3.754 4.120 -0.000 0.000 0.248 471 V C 2.243 178.382 176.094 0.074 0.000 1.053 471 V CA 2.090 64.442 62.300 0.086 0.000 1.027 471 V CB -0.724 31.170 31.823 0.118 0.000 0.646 471 V HN 0.399 nan 8.190 nan 0.000 0.447 472 Y N 1.216 121.505 120.300 -0.018 0.000 2.128 472 Y HA -0.266 4.284 4.550 -0.000 0.000 0.284 472 Y C 2.424 178.290 175.900 -0.058 0.000 1.154 472 Y CA 1.891 59.951 58.100 -0.065 0.000 1.149 472 Y CB -0.528 37.859 38.460 -0.121 0.000 0.976 472 Y HN 0.157 nan 8.280 nan 0.000 0.505 473 A N -0.019 122.899 122.820 0.162 0.000 1.908 473 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 473 A C 2.182 179.739 177.584 -0.044 0.000 1.181 473 A CA 2.017 54.091 52.037 0.061 0.000 0.627 473 A CB -0.928 18.152 19.000 0.134 0.000 0.818 473 A HN 0.662 nan 8.150 nan 0.000 0.445 474 E N -0.242 119.945 120.200 -0.021 0.000 2.150 474 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 474 E C 1.826 178.374 176.600 -0.086 0.000 0.985 474 E CA 1.103 57.482 56.400 -0.035 0.000 0.814 474 E CB -0.081 29.606 29.700 -0.021 0.000 0.752 474 E HN 0.599 nan 8.360 nan 0.000 0.466 475 K N -0.118 120.199 120.400 -0.137 0.000 2.362 475 K HA -0.104 4.216 4.320 -0.000 0.000 0.200 475 K C 1.521 177.991 176.600 -0.217 0.000 1.046 475 K CA 0.350 56.531 56.287 -0.177 0.000 0.952 475 K CB 0.118 32.482 32.500 -0.227 0.000 0.753 475 K HN 0.135 nan 8.250 nan 0.000 0.466 476 L N 0.028 121.093 121.223 -0.264 0.000 2.376 476 L HA 0.038 4.378 4.340 -0.000 0.000 0.219 476 L C 0.919 177.699 176.870 -0.149 0.000 1.133 476 L CA 1.071 55.746 54.840 -0.275 0.000 0.816 476 L CB -0.828 40.972 42.059 -0.431 0.000 0.933 476 L HN 0.352 nan 8.230 nan 0.000 0.449 477 G N 0.397 109.136 108.800 -0.102 0.000 2.353 477 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.294 477 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.294 477 G C 0.182 175.062 174.900 -0.032 0.000 1.077 477 G CA 0.319 45.386 45.100 -0.056 0.000 1.098 477 G HN 0.400 nan 8.290 nan 0.000 0.511 478 V N -2.974 116.929 119.914 -0.020 0.000 3.096 478 V HA 0.757 4.877 4.120 -0.000 0.000 0.319 478 V C 0.990 177.058 176.094 -0.044 0.000 1.082 478 V CA 0.015 62.319 62.300 0.007 0.000 1.022 478 V CB 1.764 33.628 31.823 0.068 0.000 1.103 478 V HN 0.089 nan 8.190 nan 0.000 0.455 479 D N -0.767 119.554 120.400 -0.132 0.000 2.240 479 D HA 0.110 4.750 4.640 -0.000 0.000 0.206 479 D C -0.439 175.623 176.300 -0.397 0.000 0.963 479 D CA 1.720 55.502 54.000 -0.364 0.000 0.863 479 D CB 0.197 40.618 40.800 -0.632 0.000 0.973 479 D HN 0.625 nan 8.370 nan 0.000 0.501 480 Y N -0.135 120.246 120.300 0.135 0.000 2.457 480 Y HA 0.460 5.010 4.550 -0.000 0.000 0.343 480 Y C -0.092 175.916 175.900 0.180 0.000 0.994 480 Y CA -1.010 57.195 58.100 0.176 0.000 1.031 480 Y CB 1.650 40.269 38.460 0.265 0.000 1.246 480 Y HN -0.297 nan 8.280 nan 0.000 0.449 481 I N 3.833 124.629 120.570 0.377 0.000 2.378 481 I HA 0.564 4.734 4.170 -0.000 0.000 0.291 481 I C -0.971 175.307 176.117 0.269 0.000 0.992 481 I CA -1.032 60.467 61.300 0.331 0.000 1.154 481 I CB 1.526 39.754 38.000 0.380 0.000 1.315 481 I HN 0.226 nan 8.210 nan 0.000 0.448 482 V N 4.756 124.766 119.914 0.161 0.000 2.444 482 V HA 0.295 4.415 4.120 -0.000 0.000 0.294 482 V C -0.681 175.471 176.094 0.097 0.000 1.022 482 V CA -0.602 61.700 62.300 0.003 0.000 0.850 482 V CB 1.875 33.563 31.823 -0.225 0.000 0.992 482 V HN 0.863 nan 8.190 nan 0.000 0.426 483 D N 3.974 124.464 120.400 0.150 0.000 2.228 483 D HA 0.706 5.346 4.640 -0.000 0.000 0.247 483 D C -0.635 175.752 176.300 0.144 0.000 0.995 483 D CA -0.592 53.533 54.000 0.208 0.000 0.903 483 D CB 2.522 43.540 40.800 0.363 0.000 1.205 483 D HN 0.521 nan 8.370 nan 0.000 0.459 484 I N 0.640 121.282 120.570 0.120 0.000 2.571 484 I HA 0.708 4.878 4.170 -0.000 0.000 0.289 484 I C -1.833 174.327 176.117 0.071 0.000 1.115 484 I CA -0.512 60.829 61.300 0.068 0.000 1.045 484 I CB 1.367 39.399 38.000 0.054 0.000 1.238 484 I HN 0.799 nan 8.210 nan 0.000 0.424 485 A N 3.454 126.308 122.820 0.057 0.000 2.566 485 A HA 0.593 4.913 4.320 -0.000 0.000 0.297 485 A C -0.538 177.041 177.584 -0.008 0.000 1.059 485 A CA -0.458 51.605 52.037 0.043 0.000 0.691 485 A CB 1.396 20.483 19.000 0.145 0.000 1.282 485 A HN 0.669 nan 8.150 nan 0.000 0.401 486 T N 1.093 115.582 114.554 -0.109 0.000 3.455 486 T HA 0.361 4.711 4.350 -0.000 0.000 0.286 486 T C 0.587 175.257 174.700 -0.051 0.000 1.157 486 T CA -0.061 61.941 62.100 -0.162 0.000 1.090 486 T CB -0.081 68.463 68.868 -0.539 0.000 1.112 486 T HN 0.593 nan 8.240 nan 0.000 0.779 487 L N 2.991 124.248 121.223 0.056 0.000 2.286 487 L HA 0.347 4.687 4.340 -0.000 0.000 0.203 487 L C 0.972 177.896 176.870 0.091 0.000 1.068 487 L CA 1.016 55.914 54.840 0.096 0.000 0.811 487 L CB 0.297 42.488 42.059 0.220 0.000 0.989 487 L HN 0.850 nan 8.230 nan 0.000 0.467 488 T N -4.371 110.255 114.554 0.121 0.000 2.928 488 T HA 0.492 4.842 4.350 -0.000 0.000 0.296 488 T C 0.880 175.671 174.700 0.151 0.000 1.000 488 T CA -0.302 61.871 62.100 0.122 0.000 0.989 488 T CB 1.280 70.222 68.868 0.123 0.000 1.005 488 T HN 0.098 nan 8.240 nan 0.000 0.442 489 G N 1.469 110.360 108.800 0.150 0.000 2.448 489 G HA2 0.009 3.969 3.960 -0.000 0.000 0.219 489 G HA3 0.009 3.969 3.960 -0.000 0.000 0.219 489 G C 1.621 176.662 174.900 0.235 0.000 1.127 489 G CA 0.615 45.823 45.100 0.179 0.000 0.766 489 G HN 1.183 nan 8.290 nan 0.000 0.552 490 A N 0.537 123.497 122.820 0.233 0.000 2.084 490 A HA -0.054 4.266 4.320 -0.000 0.000 0.221 490 A C 2.334 180.084 177.584 0.276 0.000 1.161 490 A CA 1.722 53.937 52.037 0.296 0.000 0.653 490 A CB -0.317 18.785 19.000 0.171 0.000 0.802 490 A HN 0.312 nan 8.150 nan 0.000 0.457 491 M N -0.567 119.157 119.600 0.206 0.000 2.202 491 M HA -0.084 4.396 4.480 -0.000 0.000 0.262 491 M C 1.979 178.334 176.300 0.091 0.000 1.063 491 M CA 1.175 56.573 55.300 0.164 0.000 1.097 491 M CB -1.322 31.369 32.600 0.153 0.000 1.382 491 M HN 0.446 nan 8.290 nan 0.000 0.413 492 L N -1.878 119.363 121.223 0.029 0.000 2.191 492 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 492 L C 1.970 178.679 176.870 -0.268 0.000 1.103 492 L CA 1.152 55.897 54.840 -0.158 0.000 0.769 492 L CB -0.611 41.256 42.059 -0.320 0.000 0.908 492 L HN 0.245 nan 8.230 nan 0.000 0.438 493 Y N -1.264 119.043 120.300 0.012 0.000 2.503 493 Y HA -0.074 4.476 4.550 -0.000 0.000 0.278 493 Y C 2.782 178.681 175.900 -0.001 0.000 1.111 493 Y CA 0.734 58.833 58.100 -0.002 0.000 1.270 493 Y CB 0.034 38.495 38.460 0.002 0.000 1.063 493 Y HN 0.204 nan 8.280 nan 0.000 0.548 494 S N -0.486 115.302 115.700 0.148 0.000 2.357 494 S HA 0.026 4.496 4.470 -0.000 0.000 0.209 494 S C 1.564 176.166 174.600 0.003 0.000 1.023 494 S CA 0.588 58.842 58.200 0.089 0.000 0.933 494 S CB -0.634 62.646 63.200 0.134 0.000 0.897 494 S HN 0.329 nan 8.310 nan 0.000 0.529 495 L N 1.037 122.266 121.223 0.011 0.000 2.515 495 L HA 0.411 4.751 4.340 -0.000 0.000 0.223 495 L C 1.554 178.398 176.870 -0.042 0.000 1.079 495 L CA 0.341 55.155 54.840 -0.045 0.000 0.857 495 L CB -0.375 41.701 42.059 0.029 0.000 1.050 495 L HN 0.753 nan 8.230 nan 0.000 0.476 496 G N 0.978 109.765 108.800 -0.022 0.000 2.484 496 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.225 496 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.225 496 G C 0.538 175.454 174.900 0.027 0.000 1.250 496 G CA 0.137 45.215 45.100 -0.035 0.000 0.926 496 G HN 0.177 nan 8.290 nan 0.000 0.581 497 T N -2.901 111.687 114.554 0.056 0.000 3.060 497 T HA 0.485 4.835 4.350 -0.000 0.000 0.249 497 T C 1.997 176.774 174.700 0.127 0.000 1.079 497 T CA 1.701 63.877 62.100 0.127 0.000 1.013 497 T CB 0.465 69.443 68.868 0.183 0.000 0.975 497 T HN 0.676 nan 8.240 nan 0.000 0.518 498 S N -0.377 115.417 115.700 0.157 0.000 2.502 498 S HA 0.334 4.804 4.470 -0.000 0.000 0.228 498 S C -0.286 174.500 174.600 0.309 0.000 1.061 498 S CA -0.295 58.055 58.200 0.249 0.000 0.935 498 S CB 0.005 63.404 63.200 0.331 0.000 0.809 498 S HN 0.613 nan 8.310 nan 0.000 0.510 499 Y N 1.233 121.548 120.300 0.024 0.000 2.335 499 Y HA 0.636 5.186 4.550 -0.000 0.000 0.338 499 Y C 0.301 176.195 175.900 -0.011 0.000 0.977 499 Y CA -1.152 56.985 58.100 0.062 0.000 1.114 499 Y CB 1.099 39.603 38.460 0.074 0.000 1.182 499 Y HN 0.136 nan 8.280 nan 0.000 0.463 500 A N 2.327 125.181 122.820 0.056 0.000 2.332 500 A HA 0.647 4.967 4.320 -0.000 0.000 0.258 500 A C 0.422 178.065 177.584 0.098 0.000 1.087 500 A CA 0.012 52.026 52.037 -0.039 0.000 0.802 500 A CB 0.129 19.037 19.000 -0.154 0.000 1.042 500 A HN 0.856 nan 8.150 nan 0.000 0.489 501 G N -1.030 107.801 108.800 0.052 0.000 2.367 501 G HA2 0.518 4.478 3.960 -0.000 0.000 0.314 501 G HA3 0.518 4.478 3.960 -0.000 0.000 0.314 501 G C -0.966 173.855 174.900 -0.132 0.000 1.130 501 G CA -0.248 44.837 45.100 -0.025 0.000 0.864 501 G HN 1.256 nan 8.290 nan 0.000 0.486 502 V N 2.610 122.372 119.914 -0.254 0.000 2.540 502 V HA 0.830 4.950 4.120 -0.000 0.000 0.302 502 V C -1.243 174.664 176.094 -0.312 0.000 1.035 502 V CA -0.900 61.269 62.300 -0.217 0.000 0.873 502 V CB 0.971 32.687 31.823 -0.178 0.000 0.992 502 V HN 0.565 nan 8.190 nan 0.000 0.428 503 F N 4.222 124.177 119.950 0.009 0.000 2.598 503 F HA 1.012 5.539 4.527 -0.000 0.000 0.327 503 F C 0.713 176.384 175.800 -0.214 0.000 1.057 503 F CA -0.046 58.003 58.000 0.082 0.000 0.957 503 F CB 2.503 41.613 39.000 0.183 0.000 1.278 503 F HN 0.806 nan 8.300 nan 0.000 0.484 504 G N 0.436 109.255 108.800 0.033 0.000 2.356 504 G HA2 0.251 4.211 3.960 -0.000 0.000 0.294 504 G HA3 0.251 4.211 3.960 -0.000 0.000 0.294 504 G C -1.392 173.572 174.900 0.107 0.000 1.423 504 G CA -0.867 44.070 45.100 -0.272 0.000 0.806 504 G HN 0.656 nan 8.290 nan 0.000 0.527 505 N N -0.419 118.413 118.700 0.219 0.000 2.203 505 N HA 0.114 4.854 4.740 -0.000 0.000 0.207 505 N C -0.032 175.590 175.510 0.187 0.000 1.130 505 N CA -0.291 52.943 53.050 0.306 0.000 0.861 505 N CB 0.674 39.429 38.487 0.446 0.000 1.005 505 N HN 0.463 nan 8.380 nan 0.000 0.507 506 N N 0.697 119.456 118.700 0.098 0.000 2.519 506 N HA 0.086 4.826 4.740 -0.000 0.000 0.291 506 N C -0.277 175.191 175.510 -0.070 0.000 1.107 506 N CA -0.098 52.982 53.050 0.051 0.000 0.904 506 N CB 1.673 40.216 38.487 0.094 0.000 1.500 506 N HN 0.003 nan 8.380 nan 0.000 0.510 507 E N 1.623 121.782 120.200 -0.070 0.000 2.072 507 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 507 E C 0.427 176.885 176.600 -0.237 0.000 0.985 507 E CA 1.271 57.545 56.400 -0.210 0.000 0.801 507 E CB 0.337 29.983 29.700 -0.090 0.000 0.750 507 E HN 0.560 nan 8.360 nan 0.000 0.452 508 E N 0.964 121.097 120.200 -0.111 0.000 2.085 508 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 508 E C 1.926 178.434 176.600 -0.152 0.000 0.994 508 E CA 0.529 56.874 56.400 -0.091 0.000 0.801 508 E CB -0.307 29.396 29.700 0.006 0.000 0.743 508 E HN 0.104 nan 8.360 nan 0.000 0.453 509 L N 0.275 121.400 121.223 -0.163 0.000 2.046 509 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 509 L C 2.028 178.686 176.870 -0.352 0.000 1.077 509 L CA 1.459 56.129 54.840 -0.283 0.000 0.747 509 L CB -0.507 41.421 42.059 -0.218 0.000 0.896 509 L HN 0.143 nan 8.230 nan 0.000 0.432 510 I N -0.019 120.301 120.570 -0.416 0.000 2.163 510 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 510 I C 2.187 178.001 176.117 -0.506 0.000 1.085 510 I CA 1.360 62.314 61.300 -0.577 0.000 1.347 510 I CB -0.516 36.897 38.000 -0.978 0.000 1.044 510 I HN 0.384 nan 8.210 nan 0.000 0.408 511 N N 0.867 119.301 118.700 -0.443 0.000 2.149 511 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 511 N C 1.757 177.148 175.510 -0.198 0.000 1.019 511 N CA 1.289 54.156 53.050 -0.305 0.000 0.857 511 N CB -0.218 38.129 38.487 -0.233 0.000 0.997 511 N HN 0.412 nan 8.380 nan 0.000 0.426 512 K N 0.482 120.783 120.400 -0.166 0.000 2.057 512 K HA -0.029 4.291 4.320 -0.000 0.000 0.207 512 K C 1.922 178.505 176.600 -0.028 0.000 1.049 512 K CA 0.719 56.980 56.287 -0.044 0.000 0.931 512 K CB 0.001 32.527 32.500 0.043 0.000 0.714 512 K HN 0.103 nan 8.250 nan 0.000 0.440 513 I N 1.423 121.872 120.570 -0.202 0.000 2.226 513 I HA -0.240 3.929 4.170 -0.000 0.000 0.245 513 I C 2.235 178.257 176.117 -0.159 0.000 1.100 513 I CA 1.466 62.617 61.300 -0.249 0.000 1.374 513 I CB -1.061 36.717 38.000 -0.371 0.000 1.057 513 I HN 0.170 nan 8.210 nan 0.000 0.413 514 L N -0.072 121.041 121.223 -0.183 0.000 2.093 514 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 514 L C 2.627 179.444 176.870 -0.089 0.000 1.085 514 L CA 1.035 55.790 54.840 -0.143 0.000 0.755 514 L CB -0.599 41.348 42.059 -0.187 0.000 0.904 514 L HN 0.225 nan 8.230 nan 0.000 0.435 515 Q N 0.102 119.856 119.800 -0.077 0.000 2.119 515 Q HA -0.139 4.201 4.340 -0.000 0.000 0.201 515 Q C 2.261 178.251 176.000 -0.016 0.000 0.972 515 Q CA 1.915 57.694 55.803 -0.040 0.000 0.847 515 Q CB -0.120 28.598 28.738 -0.033 0.000 0.903 515 Q HN 0.335 nan 8.270 nan 0.000 0.433 516 S N -0.603 115.098 115.700 0.002 0.000 2.402 516 S HA -0.127 4.343 4.470 -0.000 0.000 0.229 516 S C 1.893 176.481 174.600 -0.021 0.000 1.021 516 S CA 0.925 59.141 58.200 0.026 0.000 0.974 516 S CB -0.466 62.791 63.200 0.095 0.000 0.800 516 S HN 0.491 nan 8.310 nan 0.000 0.484 517 S N 1.641 117.310 115.700 -0.052 0.000 2.359 517 S HA -0.172 4.298 4.470 -0.000 0.000 0.224 517 S C 1.966 176.520 174.600 -0.076 0.000 1.035 517 S CA 1.570 59.725 58.200 -0.074 0.000 1.018 517 S CB -0.324 62.837 63.200 -0.065 0.000 0.876 517 S HN 0.525 nan 8.310 nan 0.000 0.448 518 K N -0.046 120.321 120.400 -0.054 0.000 2.057 518 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 518 K C 2.174 178.746 176.600 -0.048 0.000 1.049 518 K CA 1.947 58.205 56.287 -0.049 0.000 0.931 518 K CB -0.630 31.854 32.500 -0.027 0.000 0.714 518 K HN 0.660 nan 8.250 nan 0.000 0.440 519 T N -1.839 112.703 114.554 -0.020 0.000 3.014 519 T HA -0.038 4.312 4.350 -0.000 0.000 0.263 519 T C 1.998 176.719 174.700 0.035 0.000 1.078 519 T CA 1.160 63.266 62.100 0.010 0.000 1.135 519 T CB -0.116 68.771 68.868 0.032 0.000 0.895 519 T HN 0.293 nan 8.240 nan 0.000 0.480 520 S N 1.458 117.167 115.700 0.015 0.000 2.501 520 S HA 0.084 4.554 4.470 -0.000 0.000 0.220 520 S C 1.049 175.634 174.600 -0.024 0.000 0.997 520 S CA 0.139 58.364 58.200 0.041 0.000 0.919 520 S CB -0.608 62.572 63.200 -0.032 0.000 0.778 520 S HN 0.532 nan 8.310 nan 0.000 0.523 521 N N 1.544 120.158 118.700 -0.143 0.000 2.741 521 N HA -0.130 4.610 4.740 -0.000 0.000 0.250 521 N C -1.240 174.130 175.510 -0.233 0.000 1.115 521 N CA 0.927 53.789 53.050 -0.314 0.000 0.724 521 N CB -1.344 36.671 38.487 -0.787 0.000 1.090 521 N HN 0.725 nan 8.380 nan 0.000 0.558 522 E N 0.867 120.940 120.200 -0.211 0.000 2.035 522 E HA 0.259 4.609 4.350 -0.000 0.000 0.271 522 E C -2.440 174.067 176.600 -0.154 0.000 0.953 522 E CA -1.649 54.571 56.400 -0.300 0.000 0.777 522 E CB 0.916 30.194 29.700 -0.704 0.000 1.104 522 E HN 0.093 nan 8.360 nan 0.000 0.408 523 P HA 0.013 nan 4.420 nan 0.000 0.267 523 P C -0.754 176.458 177.300 -0.147 0.000 1.205 523 P CA -0.011 62.844 63.100 -0.408 0.000 0.765 523 P CB 0.751 31.775 31.700 -1.127 0.000 0.828 524 V N 4.326 124.216 119.914 -0.040 0.000 2.789 524 V HA 0.472 4.592 4.120 -0.000 0.000 0.311 524 V C -0.963 175.331 176.094 0.333 0.000 1.073 524 V CA -0.645 61.746 62.300 0.152 0.000 0.921 524 V CB 2.747 34.616 31.823 0.076 0.000 1.009 524 V HN 0.631 nan 8.190 nan 0.000 0.426 525 W N 3.800 125.192 121.300 0.155 0.000 2.702 525 W HA 0.423 5.083 4.660 -0.000 0.000 0.331 525 W C -1.401 175.167 176.519 0.081 0.000 1.049 525 W CA -0.838 56.604 57.345 0.161 0.000 1.230 525 W CB 2.062 31.630 29.460 0.179 0.000 1.408 525 W HN 0.746 nan 8.180 nan 0.000 0.492 526 W N 7.507 128.512 121.300 -0.491 0.000 2.356 526 W HA 0.449 5.109 4.660 -0.000 0.000 0.311 526 W C -1.336 175.014 176.519 -0.281 0.000 1.328 526 W CA -0.609 56.495 57.345 -0.402 0.000 1.251 526 W CB 0.018 29.225 29.460 -0.423 0.000 1.280 526 W HN 0.159 nan 8.180 nan 0.000 0.524 527 L N 9.256 130.348 121.223 -0.218 0.000 2.333 527 L HA 0.522 4.862 4.340 -0.000 0.000 0.269 527 L C -1.768 174.937 176.870 -0.274 0.000 1.010 527 L CA -2.284 52.335 54.840 -0.369 0.000 0.818 527 L CB 2.364 44.066 42.059 -0.595 0.000 1.306 527 L HN 0.266 nan 8.230 nan 0.000 0.430 528 P HA 0.255 nan 4.420 nan 0.000 0.282 528 P C -0.828 176.673 177.300 0.334 0.000 1.249 528 P CA -0.244 62.867 63.100 0.018 0.000 0.806 528 P CB 1.127 32.784 31.700 -0.071 0.000 0.984 529 I N 3.853 124.615 120.570 0.320 0.000 2.281 529 I HA 0.243 4.413 4.170 -0.000 0.000 0.293 529 I C 0.645 176.842 176.117 0.132 0.000 1.085 529 I CA -0.567 60.911 61.300 0.296 0.000 1.257 529 I CB 0.087 38.282 38.000 0.325 0.000 1.430 529 I HN 0.130 nan 8.210 nan 0.000 0.489 530 I N 6.808 127.407 120.570 0.049 0.000 2.363 530 I HA 0.067 4.237 4.170 -0.000 0.000 0.292 530 I C 1.350 177.347 176.117 -0.200 0.000 1.075 530 I CA -0.087 61.100 61.300 -0.188 0.000 1.333 530 I CB 0.349 38.037 38.000 -0.520 0.000 1.415 530 I HN 0.551 nan 8.210 nan 0.000 0.502 531 N N 4.481 123.113 118.700 -0.113 0.000 2.309 531 N HA -0.177 4.563 4.740 -0.000 0.000 0.182 531 N C 1.562 177.027 175.510 -0.075 0.000 1.018 531 N CA 0.808 53.828 53.050 -0.050 0.000 0.876 531 N CB 0.055 38.534 38.487 -0.012 0.000 0.972 531 N HN 0.618 nan 8.380 nan 0.000 0.434 532 E N 0.289 120.380 120.200 -0.181 0.000 2.171 532 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 532 E C 0.952 177.564 176.600 0.020 0.000 0.997 532 E CA 1.092 57.420 56.400 -0.120 0.000 0.810 532 E CB -0.055 29.535 29.700 -0.184 0.000 0.738 532 E HN 0.575 nan 8.360 nan 0.000 0.467 533 Y N -1.200 119.127 120.300 0.045 0.000 2.544 533 Y HA -0.000 4.550 4.550 -0.000 0.000 0.286 533 Y C 2.250 178.178 175.900 0.047 0.000 1.141 533 Y CA -0.144 57.983 58.100 0.045 0.000 1.299 533 Y CB 0.133 38.624 38.460 0.053 0.000 1.030 533 Y HN -0.034 nan 8.280 nan 0.000 0.543 534 R N 2.005 122.602 120.500 0.162 0.000 2.117 534 R HA -0.215 4.125 4.340 -0.000 0.000 0.243 534 R C 2.139 178.496 176.300 0.095 0.000 1.143 534 R CA 1.681 57.848 56.100 0.112 0.000 0.968 534 R CB -0.883 29.453 30.300 0.060 0.000 0.863 534 R HN 0.276 nan 8.270 nan 0.000 0.444 535 A N -0.652 122.220 122.820 0.087 0.000 2.019 535 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 535 A C 2.035 179.658 177.584 0.066 0.000 1.164 535 A CA 1.963 54.038 52.037 0.063 0.000 0.644 535 A CB -1.094 17.938 19.000 0.053 0.000 0.805 535 A HN 0.636 nan 8.150 nan 0.000 0.449 536 T N -2.379 112.228 114.554 0.088 0.000 3.163 536 T HA 0.161 4.511 4.350 -0.000 0.000 0.260 536 T C 1.191 175.935 174.700 0.073 0.000 1.156 536 T CA 0.846 62.987 62.100 0.068 0.000 1.072 536 T CB -0.383 68.519 68.868 0.057 0.000 0.937 536 T HN 0.331 nan 8.240 nan 0.000 0.528 537 L N 0.464 121.743 121.223 0.093 0.000 2.628 537 L HA 0.315 4.655 4.340 -0.000 0.000 0.229 537 L C 0.212 177.137 176.870 0.091 0.000 1.137 537 L CA -0.432 54.477 54.840 0.115 0.000 0.909 537 L CB -0.296 41.863 42.059 0.167 0.000 1.137 537 L HN 0.103 nan 8.230 nan 0.000 0.470 538 N N 1.361 120.096 118.700 0.059 0.000 2.400 538 N HA -0.000 4.740 4.740 -0.000 0.000 0.267 538 N C 0.132 175.660 175.510 0.030 0.000 1.208 538 N CA 0.254 53.325 53.050 0.035 0.000 0.951 538 N CB 0.855 39.351 38.487 0.016 0.000 1.227 538 N HN -0.000 nan 8.380 nan 0.000 0.488 539 S N 1.415 117.140 115.700 0.042 0.000 2.592 539 S HA 0.125 4.595 4.470 -0.000 0.000 0.271 539 S C 1.351 175.940 174.600 -0.019 0.000 1.326 539 S CA -0.442 57.785 58.200 0.045 0.000 1.024 539 S CB 1.072 64.326 63.200 0.091 0.000 0.921 539 S HN 0.486 nan 8.310 nan 0.000 0.527 540 K N 2.629 122.988 120.400 -0.068 0.000 2.167 540 K HA 0.103 4.423 4.320 -0.000 0.000 0.203 540 K C 0.717 177.020 176.600 -0.494 0.000 1.052 540 K CA 1.640 57.747 56.287 -0.299 0.000 0.956 540 K CB -0.297 31.958 32.500 -0.409 0.000 0.735 540 K HN 0.782 nan 8.250 nan 0.000 0.451 541 Y N -1.019 119.295 120.300 0.023 0.000 2.609 541 Y HA 0.463 5.013 4.550 -0.000 0.000 0.281 541 Y C 0.954 176.872 175.900 0.029 0.000 1.132 541 Y CA 0.052 58.166 58.100 0.023 0.000 1.264 541 Y CB -0.085 38.387 38.460 0.020 0.000 1.325 541 Y HN 0.009 nan 8.280 nan 0.000 0.514 542 A N 0.102 123.029 122.820 0.180 0.000 2.239 542 A HA 0.240 4.560 4.320 -0.000 0.000 0.303 542 A C 0.654 178.289 177.584 0.085 0.000 1.114 542 A CA -0.076 52.040 52.037 0.132 0.000 0.871 542 A CB 0.084 19.171 19.000 0.144 0.000 1.201 542 A HN 0.226 nan 8.150 nan 0.000 0.506 543 D N -0.832 119.613 120.400 0.075 0.000 2.178 543 D HA 0.047 4.687 4.640 -0.000 0.000 0.202 543 D C 0.271 176.596 176.300 0.042 0.000 0.974 543 D CA 1.647 55.669 54.000 0.037 0.000 0.841 543 D CB 0.091 40.899 40.800 0.015 0.000 0.953 543 D HN 0.408 nan 8.370 nan 0.000 0.478 544 I N -0.407 120.222 120.570 0.098 0.000 2.842 544 I HA 0.124 4.294 4.170 -0.000 0.000 0.297 544 I C -1.441 174.803 176.117 0.212 0.000 1.380 544 I CA -0.757 60.625 61.300 0.135 0.000 1.018 544 I CB 1.968 40.034 38.000 0.109 0.000 1.311 544 I HN -0.333 nan 8.210 nan 0.000 0.439 545 N N 4.792 123.615 118.700 0.205 0.000 2.524 545 N HA 0.159 4.899 4.740 -0.000 0.000 0.283 545 N C 0.230 175.895 175.510 0.260 0.000 1.142 545 N CA -0.188 52.975 53.050 0.188 0.000 0.984 545 N CB 1.759 40.318 38.487 0.120 0.000 1.155 545 N HN 0.678 nan 8.380 nan 0.000 0.467 546 Q N 1.944 121.794 119.800 0.083 0.000 2.096 546 Q HA -0.016 4.324 4.340 -0.000 0.000 0.197 546 Q C 0.245 176.096 176.000 -0.250 0.000 0.964 546 Q CA 1.069 56.704 55.803 -0.280 0.000 0.838 546 Q CB 0.202 28.796 28.738 -0.241 0.000 0.906 546 Q HN 0.732 nan 8.270 nan 0.000 0.444 547 I N -2.338 118.182 120.570 -0.084 0.000 2.846 547 I HA 0.488 4.658 4.170 -0.000 0.000 0.307 547 I C -0.258 175.860 176.117 0.001 0.000 1.053 547 I CA -1.216 60.051 61.300 -0.055 0.000 1.050 547 I CB 2.043 40.006 38.000 -0.062 0.000 1.239 547 I HN -0.190 nan 8.210 nan 0.000 0.439 548 S N 1.574 117.275 115.700 0.002 0.000 2.576 548 S HA 0.210 4.680 4.470 -0.000 0.000 0.276 548 S C 1.129 175.722 174.600 -0.012 0.000 1.339 548 S CA 0.081 58.283 58.200 0.004 0.000 1.039 548 S CB 0.795 63.985 63.200 -0.018 0.000 0.902 548 S HN 0.856 nan 8.310 nan 0.000 0.516 549 S N 3.117 118.813 115.700 -0.006 0.000 2.387 549 S HA -0.044 4.426 4.470 -0.000 0.000 0.221 549 S C 1.940 176.524 174.600 -0.026 0.000 1.041 549 S CA 0.754 58.947 58.200 -0.012 0.000 0.959 549 S CB -0.784 62.415 63.200 -0.001 0.000 0.843 549 S HN 0.795 nan 8.310 nan 0.000 0.488 550 S N 1.752 117.434 115.700 -0.029 0.000 2.341 550 S HA 0.173 4.643 4.470 -0.000 0.000 0.216 550 S C 0.769 175.319 174.600 -0.084 0.000 1.034 550 S CA 0.138 58.310 58.200 -0.045 0.000 0.964 550 S CB -1.100 62.081 63.200 -0.032 0.000 0.882 550 S HN 0.290 nan 8.310 nan 0.000 0.469 551 V N 3.702 123.546 119.914 -0.118 0.000 2.485 551 V HA 0.112 4.232 4.120 -0.000 0.000 0.287 551 V C 1.008 176.996 176.094 -0.177 0.000 1.022 551 V CA 0.212 62.378 62.300 -0.223 0.000 1.067 551 V CB 0.470 32.059 31.823 -0.390 0.000 0.967 551 V HN 0.446 nan 8.190 nan 0.000 0.479 552 K N 3.418 123.715 120.400 -0.172 0.000 2.444 552 K HA 0.210 4.530 4.320 -0.000 0.000 0.193 552 K C 1.092 177.626 176.600 -0.110 0.000 1.024 552 K CA 0.494 56.706 56.287 -0.125 0.000 1.077 552 K CB 0.323 32.754 32.500 -0.116 0.000 0.833 552 K HN 0.754 nan 8.250 nan 0.000 0.517 553 A N 1.869 124.597 122.820 -0.155 0.000 3.063 553 A HA 0.061 4.381 4.320 -0.000 0.000 0.263 553 A C 1.300 178.878 177.584 -0.010 0.000 1.736 553 A CA -0.255 51.744 52.037 -0.064 0.000 1.408 553 A CB -0.504 18.448 19.000 -0.080 0.000 1.108 553 A HN 0.264 nan 8.150 nan 0.000 0.621 554 S N -0.060 115.642 115.700 0.003 0.000 2.428 554 S HA -0.128 4.342 4.470 -0.000 0.000 0.230 554 S C 1.760 176.378 174.600 0.031 0.000 1.014 554 S CA 1.416 59.621 58.200 0.009 0.000 0.957 554 S CB -0.280 62.923 63.200 0.004 0.000 0.784 554 S HN 0.553 nan 8.310 nan 0.000 0.499 555 S N 2.208 117.952 115.700 0.074 0.000 2.383 555 S HA 0.118 4.588 4.470 -0.000 0.000 0.227 555 S C 1.755 176.239 174.600 -0.194 0.000 1.026 555 S CA 1.241 59.467 58.200 0.043 0.000 0.981 555 S CB -0.475 62.884 63.200 0.265 0.000 0.818 555 S HN 0.520 nan 8.310 nan 0.000 0.472 556 I N 0.985 121.560 120.570 0.007 0.000 2.286 556 I HA -0.096 4.074 4.170 -0.000 0.000 0.245 556 I C 2.181 178.337 176.117 0.065 0.000 1.104 556 I CA 0.778 62.112 61.300 0.057 0.000 1.397 556 I CB -0.403 37.802 38.000 0.342 0.000 1.072 556 I HN 0.135 nan 8.210 nan 0.000 0.417 557 V N 1.147 121.114 119.914 0.090 0.000 2.343 557 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 557 V C 2.740 178.894 176.094 0.100 0.000 1.051 557 V CA 1.983 64.348 62.300 0.109 0.000 1.036 557 V CB -0.927 30.930 31.823 0.056 0.000 0.654 557 V HN 0.483 nan 8.190 nan 0.000 0.451 558 A N -0.462 122.375 122.820 0.029 0.000 1.908 558 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 558 A C 2.486 180.092 177.584 0.036 0.000 1.181 558 A CA 2.325 54.378 52.037 0.027 0.000 0.627 558 A CB -0.684 18.303 19.000 -0.022 0.000 0.818 558 A HN 0.517 nan 8.150 nan 0.000 0.445 559 S N -0.209 115.439 115.700 -0.087 0.000 2.368 559 S HA -0.098 4.372 4.470 -0.000 0.000 0.225 559 S C 1.833 176.552 174.600 0.198 0.000 1.030 559 S CA 1.394 59.588 58.200 -0.009 0.000 0.999 559 S CB -0.470 62.587 63.200 -0.238 0.000 0.844 559 S HN 0.501 nan 8.310 nan 0.000 0.459 560 L N 0.054 121.376 121.223 0.165 0.000 2.042 560 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 560 L C 2.225 179.175 176.870 0.134 0.000 1.076 560 L CA 1.554 56.492 54.840 0.164 0.000 0.749 560 L CB -0.471 41.690 42.059 0.169 0.000 0.893 560 L HN 0.288 nan 8.230 nan 0.000 0.432 561 F N 0.331 120.318 119.950 0.061 0.000 2.102 561 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 561 F C 2.197 178.086 175.800 0.149 0.000 1.105 561 F CA 1.612 59.673 58.000 0.101 0.000 1.239 561 F CB -0.118 38.936 39.000 0.091 0.000 0.991 561 F HN -0.121 nan 8.300 nan 0.000 0.474 562 L N 0.256 121.579 121.223 0.168 0.000 2.046 562 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 562 L C 2.488 179.127 176.870 -0.385 0.000 1.077 562 L CA 1.721 56.550 54.840 -0.018 0.000 0.747 562 L CB -0.825 41.251 42.059 0.029 0.000 0.896 562 L HN 0.111 nan 8.230 nan 0.000 0.432 563 K N 0.268 120.410 120.400 -0.431 0.000 2.160 563 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 563 K C 1.866 178.215 176.600 -0.419 0.000 1.047 563 K CA 1.291 57.254 56.287 -0.541 0.000 0.930 563 K CB 0.073 32.544 32.500 -0.049 0.000 0.720 563 K HN 0.225 nan 8.250 nan 0.000 0.450 564 E N -0.488 119.464 120.200 -0.413 0.000 2.409 564 E HA -0.145 4.205 4.350 -0.000 0.000 0.198 564 E C 0.804 176.880 176.600 -0.874 0.000 1.024 564 E CA 0.835 56.870 56.400 -0.609 0.000 0.861 564 E CB 0.056 29.294 29.700 -0.771 0.000 0.788 564 E HN 0.406 nan 8.360 nan 0.000 0.521 565 F N -0.439 119.255 119.950 -0.426 0.000 2.678 565 F HA 0.116 4.643 4.527 -0.000 0.000 0.305 565 F C 0.499 176.106 175.800 -0.322 0.000 1.090 565 F CA -0.112 57.685 58.000 -0.339 0.000 1.272 565 F CB 0.917 39.729 39.000 -0.314 0.000 1.060 565 F HN -0.310 nan 8.300 nan 0.000 0.576 566 V N 0.788 120.519 119.914 -0.305 0.000 2.350 566 V HA 0.187 4.307 4.120 -0.000 0.000 0.285 566 V C 0.649 176.641 176.094 -0.169 0.000 1.014 566 V CA -0.458 61.696 62.300 -0.243 0.000 0.831 566 V CB 1.455 33.056 31.823 -0.371 0.000 1.000 566 V HN 0.177 nan 8.190 nan 0.000 0.433 567 Q N 3.215 122.948 119.800 -0.112 0.000 2.062 567 Q HA 0.009 4.349 4.340 -0.000 0.000 0.196 567 Q C 1.020 176.996 176.000 -0.041 0.000 0.967 567 Q CA 1.333 57.083 55.803 -0.088 0.000 0.832 567 Q CB 0.266 28.956 28.738 -0.079 0.000 0.899 567 Q HN 0.753 nan 8.270 nan 0.000 0.442 568 N N -0.464 118.226 118.700 -0.016 0.000 2.453 568 N HA 0.110 4.850 4.740 -0.000 0.000 0.267 568 N C -1.807 173.722 175.510 0.033 0.000 1.482 568 N CA 0.051 53.106 53.050 0.008 0.000 0.841 568 N CB 1.224 39.707 38.487 -0.007 0.000 1.408 568 N HN -0.075 nan 8.380 nan 0.000 0.490 569 T N -0.176 114.417 114.554 0.065 0.000 2.876 569 T HA 0.664 5.014 4.350 -0.000 0.000 0.289 569 T C -0.229 174.589 174.700 0.197 0.000 1.014 569 T CA -0.593 61.570 62.100 0.105 0.000 0.986 569 T CB 1.839 70.767 68.868 0.100 0.000 1.021 569 T HN 0.233 nan 8.240 nan 0.000 0.458 570 A N 2.450 125.402 122.820 0.219 0.000 2.548 570 A HA 0.410 4.730 4.320 -0.000 0.000 0.247 570 A C -0.649 177.168 177.584 0.387 0.000 1.067 570 A CA 0.000 52.218 52.037 0.301 0.000 0.757 570 A CB -0.429 18.806 19.000 0.392 0.000 0.996 570 A HN 0.870 nan 8.150 nan 0.000 0.504 571 W N 2.386 123.762 121.300 0.128 0.000 3.138 571 W HA 0.618 5.278 4.660 -0.000 0.000 0.331 571 W C -0.698 175.872 176.519 0.086 0.000 1.166 571 W CA 0.018 57.430 57.345 0.111 0.000 1.212 571 W CB 1.295 30.818 29.460 0.106 0.000 1.399 571 W HN 0.966 nan 8.180 nan 0.000 0.514 572 A N 3.573 125.926 122.820 -0.779 0.000 2.498 572 A HA 0.665 4.985 4.320 -0.000 0.000 0.298 572 A C -2.239 174.867 177.584 -0.796 0.000 1.075 572 A CA -0.696 50.824 52.037 -0.861 0.000 0.714 572 A CB 1.602 20.305 19.000 -0.495 0.000 1.299 572 A HN 0.978 nan 8.150 nan 0.000 0.407 573 H N 0.698 119.384 119.070 -0.640 0.000 2.744 573 H HA 0.686 5.242 4.556 -0.000 0.000 0.339 573 H C -1.708 173.638 175.328 0.030 0.000 1.004 573 H CA -0.604 55.322 56.048 -0.203 0.000 1.257 573 H CB 0.758 30.483 29.762 -0.061 0.000 1.552 573 H HN 0.474 nan 8.280 nan 0.000 0.522 574 I N 4.595 124.980 120.570 -0.307 0.000 2.354 574 I HA 0.158 4.328 4.170 -0.000 0.000 0.286 574 I C -0.358 175.581 176.117 -0.296 0.000 1.007 574 I CA -0.649 60.506 61.300 -0.241 0.000 1.167 574 I CB 1.232 39.179 38.000 -0.088 0.000 1.320 574 I HN 0.600 nan 8.210 nan 0.000 0.458 575 D N 7.722 127.965 120.400 -0.261 0.000 2.380 575 D HA 0.241 4.881 4.640 -0.000 0.000 0.230 575 D C 0.576 176.856 176.300 -0.033 0.000 1.154 575 D CA -0.270 53.676 54.000 -0.090 0.000 0.859 575 D CB 1.006 41.875 40.800 0.116 0.000 1.045 575 D HN 0.557 nan 8.370 nan 0.000 0.495 576 I N 0.822 121.357 120.570 -0.058 0.000 3.884 576 I HA 0.347 4.517 4.170 -0.000 0.000 0.330 576 I C 1.573 177.660 176.117 -0.051 0.000 1.451 576 I CA -0.585 60.632 61.300 -0.138 0.000 1.165 576 I CB 0.579 38.495 38.000 -0.139 0.000 1.097 576 I HN 0.176 nan 8.210 nan 0.000 0.404 577 A N 1.905 124.744 122.820 0.032 0.000 1.908 577 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 577 A C 2.288 180.029 177.584 0.261 0.000 1.181 577 A CA 1.923 54.047 52.037 0.144 0.000 0.627 577 A CB -1.221 17.870 19.000 0.152 0.000 0.818 577 A HN 0.559 nan 8.150 nan 0.000 0.445 578 G N -1.985 106.911 108.800 0.160 0.000 2.623 578 G HA2 0.165 4.125 3.960 -0.000 0.000 0.214 578 G HA3 0.165 4.125 3.960 -0.000 0.000 0.214 578 G C 1.194 176.206 174.900 0.186 0.000 1.138 578 G CA 1.050 46.259 45.100 0.181 0.000 0.794 578 G HN 0.364 nan 8.290 nan 0.000 0.535 579 V N -0.312 119.623 119.914 0.035 0.000 3.570 579 V HA 0.083 4.203 4.120 -0.000 0.000 0.257 579 V C 2.691 178.748 176.094 -0.062 0.000 1.272 579 V CA 1.351 63.577 62.300 -0.123 0.000 1.079 579 V CB 0.789 32.270 31.823 -0.570 0.000 0.829 579 V HN 0.411 nan 8.190 nan 0.000 0.454 580 S N -0.394 115.346 115.700 0.067 0.000 2.368 580 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 580 S C 0.671 175.424 174.600 0.255 0.000 1.029 580 S CA 0.664 58.974 58.200 0.183 0.000 0.988 580 S CB -0.157 63.180 63.200 0.227 0.000 0.838 580 S HN 0.642 nan 8.310 nan 0.000 0.462 581 W N 2.831 124.122 121.300 -0.015 0.000 2.390 581 W HA 0.431 5.091 4.660 0.000 0.000 0.312 581 W C -0.567 175.681 176.519 -0.452 0.000 1.123 581 W CA -0.900 56.246 57.345 -0.331 0.000 1.202 581 W CB 0.825 29.803 29.460 -0.802 0.000 1.251 581 W HN 0.172 nan 8.180 nan 0.000 0.511 582 N N 5.412 123.673 118.700 -0.732 0.000 2.521 582 N HA 0.060 4.800 4.740 -0.000 0.000 0.236 582 N C 0.521 175.792 175.510 -0.398 0.000 1.067 582 N CA -0.098 52.719 53.050 -0.388 0.000 0.939 582 N CB -0.145 38.182 38.487 -0.267 0.000 1.201 582 N HN 0.279 nan 8.380 nan 0.000 0.511 583 F N 2.091 122.082 119.950 0.068 0.000 2.186 583 F HA -0.058 4.469 4.527 -0.000 0.000 0.299 583 F C 2.167 178.023 175.800 0.093 0.000 1.090 583 F CA 0.841 58.961 58.000 0.200 0.000 1.307 583 F CB 0.165 39.268 39.000 0.172 0.000 1.019 583 F HN 0.333 nan 8.300 nan 0.000 0.489 584 K N 0.369 120.902 120.400 0.222 0.000 2.026 584 K HA -0.037 4.283 4.320 -0.000 0.000 0.208 584 K C 2.153 178.793 176.600 0.067 0.000 1.048 584 K CA 1.370 57.734 56.287 0.128 0.000 0.929 584 K CB -0.939 31.621 32.500 0.099 0.000 0.713 584 K HN 0.252 nan 8.250 nan 0.000 0.439 585 A N 0.773 123.596 122.820 0.005 0.000 2.238 585 A HA 0.004 4.324 4.320 -0.000 0.000 0.208 585 A C 0.211 177.749 177.584 -0.078 0.000 1.177 585 A CA 0.207 52.224 52.037 -0.033 0.000 0.804 585 A CB -0.248 18.724 19.000 -0.047 0.000 0.823 585 A HN 0.376 nan 8.150 nan 0.000 0.482 586 R N -1.077 119.377 120.500 -0.077 0.000 3.336 586 R HA -0.194 4.146 4.340 -0.000 0.000 0.260 586 R C -0.365 175.770 176.300 -0.275 0.000 1.032 586 R CA 1.458 57.561 56.100 0.004 0.000 0.693 586 R CB -2.095 28.276 30.300 0.118 0.000 1.134 586 R HN 0.859 nan 8.270 nan 0.000 0.433 587 K N -2.510 117.353 120.400 -0.896 0.000 2.555 587 K HA 0.629 4.949 4.320 -0.000 0.000 0.279 587 K C -3.209 172.487 176.600 -1.506 0.000 0.986 587 K CA -2.414 53.230 56.287 -1.072 0.000 0.880 587 K CB 2.508 34.755 32.500 -0.421 0.000 1.474 587 K HN -0.285 nan 8.250 nan 0.000 0.433 588 P HA 0.151 nan 4.420 nan 0.000 0.272 588 P C -0.468 176.753 177.300 -0.131 0.000 1.240 588 P CA -0.506 62.343 63.100 -0.417 0.000 0.791 588 P CB 0.606 32.268 31.700 -0.063 0.000 0.978 589 K N 0.170 120.556 120.400 -0.024 0.000 2.354 589 K HA 0.168 4.488 4.320 -0.000 0.000 0.194 589 K C 1.013 177.558 176.600 -0.092 0.000 1.045 589 K CA 0.587 56.866 56.287 -0.013 0.000 1.026 589 K CB -0.200 32.340 32.500 0.067 0.000 0.866 589 K HN 0.809 nan 8.250 nan 0.000 0.530 590 G N 2.581 111.384 108.800 0.006 0.000 2.221 590 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.265 590 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.265 590 G C -0.121 174.768 174.900 -0.019 0.000 1.041 590 G CA -0.072 45.010 45.100 -0.031 0.000 0.807 590 G HN 0.352 nan 8.290 nan 0.000 0.502 591 F N 0.516 120.421 119.950 -0.075 0.000 2.578 591 F HA 0.407 4.934 4.527 -0.000 0.000 0.376 591 F C 1.549 177.317 175.800 -0.052 0.000 1.085 591 F CA 1.728 59.691 58.000 -0.061 0.000 1.260 591 F CB 0.700 39.688 39.000 -0.020 0.000 1.095 591 F HN 0.899 nan 8.300 nan 0.000 0.573 592 G N 3.231 111.778 108.800 -0.421 0.000 2.259 592 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 592 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 592 G C 0.760 175.567 174.900 -0.155 0.000 1.001 592 G CA 0.035 45.035 45.100 -0.166 0.000 0.627 592 G HN 0.659 nan 8.290 nan 0.000 0.501 593 V N 1.408 121.224 119.914 -0.163 0.000 2.261 593 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 593 V C 2.901 178.840 176.094 -0.259 0.000 1.047 593 V CA 2.944 65.154 62.300 -0.150 0.000 1.015 593 V CB -0.591 31.151 31.823 -0.135 0.000 0.642 593 V HN 0.510 nan 8.190 nan 0.000 0.446 594 R N -0.572 119.716 120.500 -0.354 0.000 2.066 594 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 594 R C 2.258 178.385 176.300 -0.289 0.000 1.131 594 R CA 1.553 57.357 56.100 -0.494 0.000 0.955 594 R CB -0.693 29.411 30.300 -0.328 0.000 0.851 594 R HN 0.390 nan 8.270 nan 0.000 0.432 595 L N 1.393 122.476 121.223 -0.232 0.000 1.978 595 L HA -0.223 4.117 4.340 -0.000 0.000 0.218 595 L C 2.025 178.873 176.870 -0.037 0.000 1.075 595 L CA 1.827 56.583 54.840 -0.140 0.000 0.767 595 L CB -0.478 41.466 42.059 -0.191 0.000 0.890 595 L HN 0.156 nan 8.230 nan 0.000 0.434 596 L N -1.360 119.844 121.223 -0.033 0.000 2.083 596 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 596 L C 2.351 179.299 176.870 0.129 0.000 1.083 596 L CA 1.755 56.647 54.840 0.086 0.000 0.752 596 L CB -1.159 40.953 42.059 0.088 0.000 0.899 596 L HN 0.346 nan 8.230 nan 0.000 0.433 597 T N -1.164 113.388 114.554 -0.004 0.000 2.777 597 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 597 T C 1.807 176.545 174.700 0.064 0.000 1.040 597 T CA 0.960 63.056 62.100 -0.006 0.000 1.141 597 T CB -0.113 68.643 68.868 -0.187 0.000 0.868 597 T HN 0.261 nan 8.240 nan 0.000 0.444 598 E N 0.748 120.988 120.200 0.067 0.000 2.085 598 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 598 E C 1.886 178.540 176.600 0.091 0.000 0.994 598 E CA 0.897 57.369 56.400 0.120 0.000 0.801 598 E CB -0.471 29.295 29.700 0.110 0.000 0.743 598 E HN 0.533 nan 8.360 nan 0.000 0.453 599 F N 1.526 121.460 119.950 -0.028 0.000 2.095 599 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 599 F C 2.258 178.048 175.800 -0.018 0.000 1.104 599 F CA 1.145 59.117 58.000 -0.047 0.000 1.232 599 F CB -0.500 38.456 39.000 -0.073 0.000 0.987 599 F HN -0.208 nan 8.300 nan 0.000 0.475 600 V N 0.273 120.077 119.914 -0.183 0.000 2.295 600 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 600 V C 2.416 178.411 176.094 -0.165 0.000 1.049 600 V CA 1.768 63.934 62.300 -0.224 0.000 1.024 600 V CB -0.762 31.051 31.823 -0.017 0.000 0.648 600 V HN 0.319 nan 8.190 nan 0.000 0.447 601 L N 0.041 121.225 121.223 -0.066 0.000 2.156 601 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 601 L C 1.820 178.661 176.870 -0.048 0.000 1.095 601 L CA 1.748 56.572 54.840 -0.027 0.000 0.770 601 L CB -1.061 41.024 42.059 0.042 0.000 0.914 601 L HN 0.421 nan 8.230 nan 0.000 0.439 602 N N -1.300 117.356 118.700 -0.074 0.000 2.322 602 N HA -0.012 4.728 4.740 -0.000 0.000 0.194 602 N C 0.001 175.455 175.510 -0.094 0.000 1.126 602 N CA -0.264 52.749 53.050 -0.062 0.000 0.845 602 N CB 0.316 38.785 38.487 -0.031 0.000 0.976 602 N HN 0.300 nan 8.380 nan 0.000 0.475 603 D N 0.000 120.310 120.400 -0.150 0.000 6.856 603 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 603 D CA 0.000 53.927 54.000 -0.122 0.000 0.868 603 D CB 0.000 40.698 40.800 -0.169 0.000 0.688 603 D HN 0.000 nan 8.370 nan 0.000 0.683