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 3n6r_1_I DATA FIRST_RESID 63 DATA SEQUENCE FNKILIANRG EIACRVIKTA RKMGISTVAI YSDADKQALH VQMADEAVHI DATA SEQUENCE GPPPANQSYI VIDKVMAAIR ATGAQAVHPG YGFLSENSKF AEALEAEGVI DATA SEQUENCE FVGPPKGAIE AMGDKITSKK IAQEANVSTV PGYMGLIEDA DEAVKISNQI DATA SEQUENCE GYPVMIKASA XXXXXXMRIA WNDQEAREGF QSSKNXXXXX XXXDRIFIEK DATA SEQUENCE FVTQPRHIEI QVLCDSHGNG IYLGERECSI QRRNQKVVEE APSPFLDEAT DATA SEQUENCE RRAMGEQAVA LAKAVGYASA GTVEFIVDGQ KNFYFLEMNT RLQVEHPVTE DATA SEQUENCE LITGVDLVEQ MIRVAAGEPL SITQGDVKLT GWAIENRLYA EDPYRGFXLP DATA SEQUENCE SIGRLTRYRE XXXXXAVRND TGVYEGGEIS MYYDPMIAKL CTWAPTRAAA DATA SEQUENCE IEAMRIALDS FEVEGIGHNL PFLSAVMDHP KFISGDMTTA FIAEEYPEGF DATA SEQUENCE EGVNLPETDL RRVAAAAAAM HRVAEIRRTR VSGRMDXNHE RRVGTEWVVT DATA SEQUENCE LQGADFPVTI AADHDGSTVS FDXDGSSMRV TSDWTPGDQL ANLMVDGAPL DATA SEQUENCE VLKVGKISXX GGFRIRTRGA DLKVHVRTPR QAELARLMPE KLPPDTSKML DATA SEQUENCE LCPMPGLIVK VDVEVGQEVQ EGQALCTIEA MKMENILRAE KKGVVAKINA DATA SEQUENCE SAGNSLAVDD VIMEFE 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 63 F HA 0.000 nan 4.527 nan 0.000 0.279 63 F C 0.000 175.812 175.800 0.019 0.000 0.967 63 F CA 0.000 58.013 58.000 0.021 0.000 1.383 63 F CB 0.000 39.012 39.000 0.020 0.000 1.145 64 N N -0.049 118.749 118.700 0.163 0.000 3.684 64 N HA 0.175 4.915 4.740 -0.000 0.000 0.318 64 N C -1.426 174.130 175.510 0.077 0.000 1.127 64 N CA -1.126 51.989 53.050 0.109 0.000 0.674 64 N CB 0.423 38.961 38.487 0.086 0.000 3.706 64 N HN 0.198 nan 8.380 nan 0.000 0.477 65 K N 1.768 122.202 120.400 0.057 0.000 2.046 65 K HA 0.124 4.444 4.320 -0.000 0.000 0.248 65 K C -0.217 176.410 176.600 0.046 0.000 1.123 65 K CA 0.181 56.497 56.287 0.049 0.000 1.145 65 K CB -0.879 31.645 32.500 0.040 0.000 1.028 65 K HN 0.429 nan 8.250 nan 0.000 0.354 66 I N 1.539 122.142 120.570 0.055 0.000 2.339 66 I HA 0.311 4.481 4.170 -0.000 0.000 0.290 66 I C -0.405 175.750 176.117 0.063 0.000 0.994 66 I CA -0.969 60.364 61.300 0.056 0.000 1.191 66 I CB 0.621 38.660 38.000 0.065 0.000 1.343 66 I HN 0.368 nan 8.210 nan 0.000 0.458 67 L N 6.685 127.948 121.223 0.066 0.000 2.479 67 L HA 0.561 4.901 4.340 -0.000 0.000 0.249 67 L C -0.796 176.124 176.870 0.084 0.000 1.178 67 L CA -0.283 54.603 54.840 0.076 0.000 0.811 67 L CB 1.079 43.187 42.059 0.081 0.000 1.187 67 L HN 0.633 nan 8.230 nan 0.000 0.480 68 I N 1.457 122.074 120.570 0.078 0.000 2.478 68 I HA 0.360 4.530 4.170 -0.000 0.000 0.287 68 I C 0.414 176.568 176.117 0.061 0.000 1.042 68 I CA 0.083 61.412 61.300 0.048 0.000 1.067 68 I CB 1.920 39.916 38.000 -0.007 0.000 1.233 68 I HN 0.629 nan 8.210 nan 0.000 0.431 69 A N 4.770 127.618 122.820 0.046 0.000 2.251 69 A HA 0.220 4.540 4.320 -0.000 0.000 0.209 69 A C 0.820 178.466 177.584 0.104 0.000 1.187 69 A CA 0.454 52.514 52.037 0.038 0.000 0.823 69 A CB -0.456 18.474 19.000 -0.117 0.000 0.846 69 A HN 0.777 nan 8.150 nan 0.000 0.486 70 N N -1.050 117.648 118.700 -0.002 0.000 2.938 70 N HA 0.590 5.330 4.740 -0.000 0.000 0.335 70 N C 0.402 175.701 175.510 -0.351 0.000 1.358 70 N CA -0.593 52.383 53.050 -0.123 0.000 0.812 70 N CB 0.943 39.219 38.487 -0.351 0.000 1.233 70 N HN 0.400 nan 8.380 nan 0.000 0.593 71 R N -1.211 118.930 120.500 -0.598 0.000 3.167 71 R HA 0.484 4.824 4.340 -0.000 0.000 0.112 71 R C 0.761 176.674 176.300 -0.644 0.000 0.610 71 R CA -0.091 55.470 56.100 -0.897 0.000 0.397 71 R CB -0.697 29.042 30.300 -0.935 0.000 0.732 71 R HN 0.641 nan 8.270 nan 0.000 0.329 72 G N 0.979 109.473 108.800 -0.510 0.000 2.551 72 G HA2 -0.472 3.488 3.960 -0.000 0.000 0.383 72 G HA3 -0.472 3.488 3.960 -0.000 0.000 0.383 72 G C 0.770 175.543 174.900 -0.211 0.000 1.370 72 G CA 1.503 46.425 45.100 -0.297 0.000 0.940 72 G HN 0.905 nan 8.290 nan 0.000 0.524 73 E N -0.694 119.413 120.200 -0.155 0.000 2.072 73 E HA -0.001 4.349 4.350 -0.000 0.000 0.191 73 E C 2.529 179.059 176.600 -0.118 0.000 0.985 73 E CA 1.682 58.026 56.400 -0.092 0.000 0.801 73 E CB -0.209 29.469 29.700 -0.036 0.000 0.750 73 E HN 0.566 nan 8.360 nan 0.000 0.452 74 I N 1.546 121.996 120.570 -0.200 0.000 2.151 74 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 74 I C 2.311 178.254 176.117 -0.290 0.000 1.080 74 I CA 1.632 62.765 61.300 -0.279 0.000 1.339 74 I CB -0.863 36.719 38.000 -0.696 0.000 1.039 74 I HN 0.249 nan 8.210 nan 0.000 0.409 75 A N -0.422 122.202 122.820 -0.327 0.000 1.873 75 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 75 A C 2.470 179.973 177.584 -0.135 0.000 1.193 75 A CA 2.234 54.110 52.037 -0.268 0.000 0.629 75 A CB -1.647 17.140 19.000 -0.356 0.000 0.826 75 A HN 0.626 nan 8.150 nan 0.000 0.447 76 C N -1.300 117.951 119.300 -0.082 0.000 2.413 76 C HA -0.062 4.398 4.460 -0.000 0.000 0.276 76 C C 2.737 177.705 174.990 -0.038 0.000 1.248 76 C CA 1.236 60.238 59.018 -0.027 0.000 1.742 76 C CB -1.358 26.375 27.740 -0.012 0.000 2.017 76 C HN 0.726 nan 8.230 nan 0.000 0.481 77 R N 1.270 121.737 120.500 -0.055 0.000 2.113 77 R HA -0.139 4.201 4.340 -0.000 0.000 0.244 77 R C 2.057 178.333 176.300 -0.041 0.000 1.142 77 R CA 2.208 58.294 56.100 -0.022 0.000 0.953 77 R CB -1.158 29.149 30.300 0.011 0.000 0.860 77 R HN 0.399 nan 8.270 nan 0.000 0.438 78 V N -0.192 119.651 119.914 -0.117 0.000 2.302 78 V HA -0.062 4.058 4.120 -0.000 0.000 0.243 78 V C 2.190 178.252 176.094 -0.053 0.000 1.036 78 V CA 1.681 63.904 62.300 -0.129 0.000 1.020 78 V CB -0.260 31.379 31.823 -0.307 0.000 0.657 78 V HN 0.395 nan 8.190 nan 0.000 0.453 79 I N 0.340 120.882 120.570 -0.047 0.000 2.145 79 I HA -0.360 3.810 4.170 -0.000 0.000 0.244 79 I C 2.570 178.690 176.117 0.006 0.000 1.075 79 I CA 2.464 63.761 61.300 -0.005 0.000 1.332 79 I CB -0.555 37.451 38.000 0.010 0.000 1.033 79 I HN 0.343 nan 8.210 nan 0.000 0.410 80 K N 0.279 120.680 120.400 0.002 0.000 2.281 80 K HA -0.164 4.156 4.320 -0.000 0.000 0.203 80 K C 1.840 178.448 176.600 0.012 0.000 1.046 80 K CA 1.681 57.973 56.287 0.009 0.000 0.938 80 K CB 0.040 32.546 32.500 0.009 0.000 0.737 80 K HN 0.325 nan 8.250 nan 0.000 0.458 81 T N 0.093 114.655 114.554 0.013 0.000 2.901 81 T HA 0.082 4.432 4.350 -0.000 0.000 0.252 81 T C 1.795 176.512 174.700 0.029 0.000 1.035 81 T CA 0.723 62.836 62.100 0.021 0.000 1.142 81 T CB -0.148 68.736 68.868 0.027 0.000 0.869 81 T HN 0.338 nan 8.240 nan 0.000 0.442 82 A N 2.261 125.101 122.820 0.034 0.000 1.859 82 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 82 A C 2.235 179.844 177.584 0.041 0.000 1.209 82 A CA 2.142 54.208 52.037 0.048 0.000 0.639 82 A CB -0.743 18.286 19.000 0.049 0.000 0.835 82 A HN 0.385 nan 8.150 nan 0.000 0.450 83 R N -0.349 120.170 120.500 0.032 0.000 2.241 83 R HA -0.102 4.238 4.340 -0.000 0.000 0.224 83 R C 2.060 178.370 176.300 0.017 0.000 1.101 83 R CA 1.557 57.672 56.100 0.026 0.000 0.995 83 R CB -0.186 30.128 30.300 0.023 0.000 0.870 83 R HN 0.588 nan 8.270 nan 0.000 0.463 84 K N -0.236 120.173 120.400 0.015 0.000 2.365 84 K HA -0.015 4.305 4.320 -0.000 0.000 0.199 84 K C 0.685 177.286 176.600 0.003 0.000 1.045 84 K CA 0.851 57.142 56.287 0.008 0.000 0.962 84 K CB 0.268 32.772 32.500 0.007 0.000 0.759 84 K HN 0.160 nan 8.250 nan 0.000 0.469 85 M N 0.657 120.262 119.600 0.007 0.000 2.869 85 M HA 0.208 4.688 4.480 -0.000 0.000 0.353 85 M C -0.123 176.175 176.300 -0.004 0.000 1.224 85 M CA -0.289 55.008 55.300 -0.005 0.000 0.917 85 M CB 1.501 34.100 32.600 -0.000 0.000 1.322 85 M HN 0.185 nan 8.290 nan 0.000 0.516 86 G N 2.459 111.260 108.800 0.003 0.000 2.195 86 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.256 86 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.256 86 G C -0.534 174.382 174.900 0.026 0.000 0.817 86 G CA 0.220 45.325 45.100 0.009 0.000 1.235 86 G HN 0.652 nan 8.290 nan 0.000 0.358 87 I N 0.642 121.238 120.570 0.043 0.000 2.500 87 I HA 0.173 4.343 4.170 -0.000 0.000 0.286 87 I C 0.589 176.742 176.117 0.060 0.000 1.063 87 I CA -0.846 60.496 61.300 0.069 0.000 1.062 87 I CB 2.012 40.067 38.000 0.093 0.000 1.223 87 I HN 0.167 nan 8.210 nan 0.000 0.435 88 S N 4.109 119.844 115.700 0.060 0.000 3.184 88 S HA -0.005 4.465 4.470 -0.000 0.000 0.376 88 S C 0.454 175.086 174.600 0.053 0.000 1.163 88 S CA 0.221 58.451 58.200 0.051 0.000 1.314 88 S CB -0.487 62.743 63.200 0.050 0.000 0.962 88 S HN 0.577 nan 8.310 nan 0.000 0.543 89 T N 3.352 117.935 114.554 0.049 0.000 2.910 89 T HA 0.518 4.868 4.350 -0.000 0.000 0.293 89 T C 0.201 174.935 174.700 0.056 0.000 1.015 89 T CA -0.655 61.476 62.100 0.051 0.000 1.094 89 T CB 0.954 69.849 68.868 0.045 0.000 0.968 89 T HN 0.302 nan 8.240 nan 0.000 0.521 90 V N 0.439 120.392 119.914 0.065 0.000 3.087 90 V HA 0.889 5.009 4.120 -0.000 0.000 0.306 90 V C -0.325 175.828 176.094 0.098 0.000 1.187 90 V CA -0.998 61.348 62.300 0.076 0.000 0.999 90 V CB 2.033 33.896 31.823 0.067 0.000 1.049 90 V HN 1.234 nan 8.190 nan 0.000 0.431 91 A N 2.749 125.647 122.820 0.129 0.000 2.567 91 A HA 1.029 5.349 4.320 -0.000 0.000 0.289 91 A C -1.214 176.491 177.584 0.202 0.000 1.177 91 A CA -0.483 51.668 52.037 0.190 0.000 0.694 91 A CB 1.968 21.132 19.000 0.274 0.000 1.292 91 A HN 1.446 nan 8.150 nan 0.000 0.425 92 I N -2.804 117.925 120.570 0.266 0.000 3.174 92 I HA 0.967 5.137 4.170 -0.000 0.000 0.313 92 I C -1.352 174.980 176.117 0.359 0.000 1.155 92 I CA -1.202 60.179 61.300 0.136 0.000 0.977 92 I CB 2.479 40.480 38.000 0.002 0.000 1.248 92 I HN 1.188 nan 8.210 nan 0.000 0.453 93 Y N 0.888 121.218 120.300 0.050 0.000 2.457 93 Y HA 0.576 5.126 4.550 -0.000 0.000 0.322 93 Y C -0.326 175.513 175.900 -0.102 0.000 1.218 93 Y CA -0.488 57.683 58.100 0.117 0.000 1.116 93 Y CB -0.106 38.455 38.460 0.169 0.000 1.335 93 Y HN 0.908 nan 8.280 nan 0.000 0.452 94 S N 0.833 116.530 115.700 -0.006 0.000 2.502 94 S HA 0.184 4.654 4.470 -0.000 0.000 0.251 94 S C 0.229 174.942 174.600 0.189 0.000 1.254 94 S CA 0.795 58.981 58.200 -0.023 0.000 0.989 94 S CB 0.373 63.647 63.200 0.123 0.000 1.015 94 S HN 0.761 nan 8.310 nan 0.000 0.529 95 D N 1.314 121.789 120.400 0.124 0.000 2.146 95 D HA 0.161 4.801 4.640 -0.000 0.000 0.209 95 D C 1.348 177.714 176.300 0.110 0.000 0.973 95 D CA 1.548 55.619 54.000 0.119 0.000 0.860 95 D CB -0.967 39.855 40.800 0.037 0.000 1.015 95 D HN 0.698 nan 8.370 nan 0.000 0.465 96 A N 0.591 123.445 122.820 0.058 0.000 2.900 96 A HA 0.026 4.346 4.320 -0.000 0.000 0.246 96 A C 0.422 178.090 177.584 0.140 0.000 1.725 96 A CA 0.613 52.675 52.037 0.043 0.000 1.400 96 A CB -0.517 18.428 19.000 -0.091 0.000 0.973 96 A HN 0.112 nan 8.150 nan 0.000 0.635 97 D N -1.161 119.324 120.400 0.141 0.000 2.817 97 D HA -0.007 4.633 4.640 -0.000 0.000 0.316 97 D C 1.147 177.449 176.300 0.002 0.000 1.565 97 D CA 0.017 54.091 54.000 0.125 0.000 0.901 97 D CB 0.230 41.208 40.800 0.295 0.000 1.520 97 D HN 0.402 nan 8.370 nan 0.000 0.404 98 K N 1.077 121.445 120.400 -0.054 0.000 2.217 98 K HA -0.124 4.196 4.320 -0.000 0.000 0.202 98 K C 2.127 178.552 176.600 -0.292 0.000 1.051 98 K CA 1.673 57.775 56.287 -0.308 0.000 0.952 98 K CB 0.246 32.664 32.500 -0.136 0.000 0.736 98 K HN 0.235 nan 8.250 nan 0.000 0.453 99 Q N 0.241 119.955 119.800 -0.144 0.000 2.008 99 Q HA 0.157 4.497 4.340 -0.000 0.000 0.196 99 Q C 0.596 176.480 176.000 -0.192 0.000 0.973 99 Q CA 0.613 56.374 55.803 -0.069 0.000 0.826 99 Q CB -0.715 28.053 28.738 0.050 0.000 0.894 99 Q HN 0.160 nan 8.270 nan 0.000 0.439 100 A N 1.471 124.125 122.820 -0.277 0.000 2.456 100 A HA -0.177 4.143 4.320 -0.000 0.000 0.276 100 A C 0.847 178.178 177.584 -0.421 0.000 0.981 100 A CA 0.413 52.230 52.037 -0.367 0.000 1.123 100 A CB -0.078 18.772 19.000 -0.249 0.000 0.773 100 A HN 0.560 nan 8.150 nan 0.000 0.373 101 L N 3.346 124.332 121.223 -0.396 0.000 2.187 101 L HA -0.198 4.142 4.340 -0.000 0.000 0.213 101 L C 2.504 179.299 176.870 -0.126 0.000 1.100 101 L CA 2.893 57.593 54.840 -0.232 0.000 0.765 101 L CB -0.752 41.190 42.059 -0.195 0.000 0.904 101 L HN 0.972 nan 8.230 nan 0.000 0.437 102 H N -2.423 116.574 119.070 -0.122 0.000 2.357 102 H HA -0.043 4.513 4.556 -0.000 0.000 0.301 102 H C 2.011 177.316 175.328 -0.039 0.000 1.082 102 H CA 1.554 57.558 56.048 -0.073 0.000 1.342 102 H CB -1.123 28.592 29.762 -0.078 0.000 1.389 102 H HN 0.240 nan 8.280 nan 0.000 0.511 103 V N 2.649 122.117 119.914 -0.744 0.000 2.215 103 V HA -0.381 3.739 4.120 -0.000 0.000 0.249 103 V C 2.982 178.963 176.094 -0.188 0.000 1.054 103 V CA 2.940 64.967 62.300 -0.455 0.000 1.012 103 V CB -1.070 30.401 31.823 -0.586 0.000 0.639 103 V HN 0.606 nan 8.190 nan 0.000 0.448 104 Q N -0.563 119.133 119.800 -0.172 0.000 2.439 104 Q HA -0.166 4.174 4.340 -0.000 0.000 0.211 104 Q C 1.940 177.922 176.000 -0.031 0.000 0.978 104 Q CA 1.761 57.518 55.803 -0.077 0.000 0.897 104 Q CB -0.379 28.334 28.738 -0.043 0.000 0.956 104 Q HN 0.614 nan 8.270 nan 0.000 0.483 105 M N 0.551 120.137 119.600 -0.022 0.000 2.388 105 M HA 0.155 4.635 4.480 -0.000 0.000 0.265 105 M C 0.964 177.276 176.300 0.019 0.000 1.088 105 M CA 0.431 55.736 55.300 0.007 0.000 1.134 105 M CB 0.202 32.813 32.600 0.019 0.000 1.384 105 M HN 0.263 nan 8.290 nan 0.000 0.447 106 A N 0.549 123.385 122.820 0.027 0.000 2.304 106 A HA 0.150 4.470 4.320 -0.000 0.000 0.271 106 A C 0.134 177.739 177.584 0.035 0.000 1.091 106 A CA -0.456 51.607 52.037 0.043 0.000 0.812 106 A CB 0.280 19.324 19.000 0.072 0.000 1.056 106 A HN 0.212 nan 8.150 nan 0.000 0.489 107 D N 0.244 120.668 120.400 0.040 0.000 2.349 107 D HA 0.154 4.794 4.640 -0.000 0.000 0.224 107 D C 0.152 176.478 176.300 0.042 0.000 1.029 107 D CA 1.018 55.039 54.000 0.035 0.000 0.879 107 D CB 0.248 41.069 40.800 0.035 0.000 0.906 107 D HN 0.683 nan 8.370 nan 0.000 0.528 108 E N -1.120 119.113 120.200 0.055 0.000 2.439 108 E HA 0.739 5.089 4.350 -0.000 0.000 0.279 108 E C -1.445 175.215 176.600 0.101 0.000 1.077 108 E CA -1.079 55.363 56.400 0.070 0.000 0.849 108 E CB 2.236 31.976 29.700 0.065 0.000 1.408 108 E HN -0.075 nan 8.360 nan 0.000 0.457 109 A N 0.411 123.314 122.820 0.139 0.000 2.583 109 A HA 0.579 4.899 4.320 -0.000 0.000 0.298 109 A C -1.639 176.107 177.584 0.270 0.000 1.055 109 A CA -0.625 51.558 52.037 0.243 0.000 0.714 109 A CB 1.126 20.294 19.000 0.280 0.000 1.277 109 A HN 0.620 nan 8.150 nan 0.000 0.406 110 V N 0.852 120.853 119.914 0.145 0.000 2.760 110 V HA 0.804 4.924 4.120 -0.000 0.000 0.309 110 V C 0.185 175.911 176.094 -0.613 0.000 1.077 110 V CA -0.732 61.520 62.300 -0.080 0.000 0.910 110 V CB 1.369 33.121 31.823 -0.118 0.000 1.008 110 V HN 1.452 nan 8.190 nan 0.000 0.424 111 H N 4.557 123.217 119.070 -0.684 0.000 2.830 111 H HA 0.417 4.973 4.556 -0.000 0.000 0.382 111 H C 0.327 175.329 175.328 -0.544 0.000 1.423 111 H CA 0.237 55.743 56.048 -0.903 0.000 1.464 111 H CB 1.288 30.819 29.762 -0.386 0.000 1.495 111 H HN 1.063 nan 8.280 nan 0.000 0.617 112 I N -4.357 115.871 120.570 -0.569 0.000 3.439 112 I HA 0.495 4.665 4.170 -0.000 0.000 0.321 112 I C 0.342 176.299 176.117 -0.267 0.000 1.435 112 I CA -0.030 60.982 61.300 -0.481 0.000 0.914 112 I CB 0.317 38.013 38.000 -0.507 0.000 1.807 112 I HN 0.999 nan 8.210 nan 0.000 0.681 113 G N 2.295 111.038 108.800 -0.096 0.000 2.428 113 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.202 113 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.202 113 G C -3.144 171.735 174.900 -0.034 0.000 1.247 113 G CA -0.305 44.771 45.100 -0.039 0.000 1.020 113 G HN 0.206 nan 8.290 nan 0.000 0.529 114 P HA 0.245 nan 4.420 nan 0.000 0.275 114 P C -1.816 175.494 177.300 0.017 0.000 1.270 114 P CA -0.054 63.048 63.100 0.003 0.000 0.791 114 P CB 0.881 32.594 31.700 0.022 0.000 1.089 115 P HA 0.037 nan 4.420 nan 0.000 0.216 115 P C -1.741 175.674 177.300 0.192 0.000 1.153 115 P CA 1.752 64.839 63.100 -0.021 0.000 0.848 115 P CB -1.920 29.392 31.700 -0.646 0.000 0.787 116 P HA 0.071 nan 4.420 nan 0.000 0.271 116 P C 0.782 178.127 177.300 0.076 0.000 1.216 116 P CA 0.510 63.717 63.100 0.178 0.000 0.771 116 P CB 0.213 31.985 31.700 0.122 0.000 0.864 117 A N 3.933 126.778 122.820 0.042 0.000 2.066 117 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 117 A C 1.412 178.948 177.584 -0.081 0.000 1.157 117 A CA 0.837 52.892 52.037 0.029 0.000 0.670 117 A CB -0.989 17.962 19.000 -0.081 0.000 0.804 117 A HN 0.685 nan 8.150 nan 0.000 0.453 118 N N -0.381 118.283 118.700 -0.060 0.000 2.471 118 N HA -0.050 4.690 4.740 -0.000 0.000 0.205 118 N C 0.245 175.729 175.510 -0.044 0.000 1.251 118 N CA 0.582 53.597 53.050 -0.058 0.000 0.843 118 N CB -0.048 38.415 38.487 -0.040 0.000 1.044 118 N HN 0.680 nan 8.380 nan 0.000 0.461 119 Q N -1.064 118.707 119.800 -0.048 0.000 1.798 119 Q HA 0.077 4.417 4.340 -0.000 0.000 0.173 119 Q C 0.128 176.079 176.000 -0.082 0.000 0.780 119 Q CA 0.151 55.927 55.803 -0.045 0.000 0.866 119 Q CB 0.742 29.472 28.738 -0.013 0.000 1.234 119 Q HN 0.472 nan 8.270 nan 0.000 0.390 120 S N -2.133 113.490 115.700 -0.128 0.000 3.352 120 S HA 0.073 4.543 4.470 -0.000 0.000 0.242 120 S C 0.812 175.194 174.600 -0.363 0.000 1.075 120 S CA -0.156 57.890 58.200 -0.256 0.000 1.026 120 S CB -0.268 62.748 63.200 -0.306 0.000 1.009 120 S HN 0.168 nan 8.310 nan 0.000 0.429 121 Y N 1.623 121.805 120.300 -0.196 0.000 2.481 121 Y HA 0.561 5.111 4.550 -0.000 0.000 0.258 121 Y C 1.884 177.498 175.900 -0.478 0.000 1.103 121 Y CA -0.097 57.798 58.100 -0.341 0.000 1.287 121 Y CB 0.088 38.258 38.460 -0.484 0.000 1.108 121 Y HN 0.277 nan 8.280 nan 0.000 0.529 122 I N -1.547 118.866 120.570 -0.261 0.000 2.927 122 I HA -0.018 4.152 4.170 -0.000 0.000 0.268 122 I C 0.217 176.254 176.117 -0.133 0.000 1.153 122 I CA 0.111 61.268 61.300 -0.239 0.000 1.459 122 I CB 0.067 37.950 38.000 -0.195 0.000 1.149 122 I HN -0.313 nan 8.210 nan 0.000 0.443 123 V N 4.264 124.115 119.914 -0.104 0.000 2.536 123 V HA -0.134 3.986 4.120 -0.000 0.000 0.287 123 V C 1.544 177.624 176.094 -0.024 0.000 0.979 123 V CA 0.762 63.027 62.300 -0.057 0.000 1.161 123 V CB -0.276 31.506 31.823 -0.067 0.000 0.915 123 V HN 0.280 nan 8.190 nan 0.000 0.467 124 I N 2.425 123.017 120.570 0.037 0.000 2.493 124 I HA -0.112 4.058 4.170 -0.000 0.000 0.254 124 I C 1.854 178.034 176.117 0.105 0.000 1.160 124 I CA 0.864 62.248 61.300 0.140 0.000 1.445 124 I CB -0.283 37.839 38.000 0.204 0.000 1.086 124 I HN 0.642 nan 8.210 nan 0.000 0.433 125 D N 1.638 122.065 120.400 0.044 0.000 2.075 125 D HA -0.147 4.493 4.640 -0.000 0.000 0.196 125 D C 2.046 178.346 176.300 0.001 0.000 0.985 125 D CA 1.008 55.020 54.000 0.021 0.000 0.834 125 D CB -0.307 40.496 40.800 0.004 0.000 0.987 125 D HN 0.180 nan 8.370 nan 0.000 0.452 126 K N 0.983 121.365 120.400 -0.030 0.000 2.001 126 K HA -0.155 4.165 4.320 -0.000 0.000 0.223 126 K C 2.445 179.002 176.600 -0.072 0.000 1.055 126 K CA 0.743 56.982 56.287 -0.081 0.000 0.965 126 K CB -1.063 31.363 32.500 -0.123 0.000 0.730 126 K HN 0.072 nan 8.250 nan 0.000 0.449 127 V N 1.681 121.575 119.914 -0.034 0.000 2.218 127 V HA -0.357 3.763 4.120 -0.000 0.000 0.251 127 V C 2.531 178.661 176.094 0.061 0.000 1.057 127 V CA 2.462 64.778 62.300 0.027 0.000 1.022 127 V CB -0.585 31.319 31.823 0.134 0.000 0.645 127 V HN 0.276 nan 8.190 nan 0.000 0.451 128 M N 0.421 120.083 119.600 0.104 0.000 2.308 128 M HA -0.275 4.205 4.480 -0.000 0.000 0.257 128 M C 2.214 178.524 176.300 0.017 0.000 1.070 128 M CA 2.482 57.819 55.300 0.062 0.000 1.080 128 M CB -1.375 31.254 32.600 0.047 0.000 1.274 128 M HN 0.399 nan 8.290 nan 0.000 0.434 129 A N -0.961 121.858 122.820 -0.002 0.000 1.985 129 A HA -0.207 4.113 4.320 -0.000 0.000 0.223 129 A C 2.283 179.852 177.584 -0.025 0.000 1.189 129 A CA 2.864 54.891 52.037 -0.017 0.000 0.658 129 A CB -1.362 17.620 19.000 -0.030 0.000 0.820 129 A HN 0.675 nan 8.150 nan 0.000 0.464 130 A N -0.615 122.182 122.820 -0.039 0.000 1.935 130 A HA 0.165 4.485 4.320 -0.000 0.000 0.214 130 A C 2.023 179.604 177.584 -0.005 0.000 1.178 130 A CA 0.971 52.982 52.037 -0.044 0.000 0.640 130 A CB -0.455 18.491 19.000 -0.091 0.000 0.825 130 A HN 0.486 nan 8.150 nan 0.000 0.447 131 I N -0.757 119.822 120.570 0.016 0.000 2.335 131 I HA -0.282 3.888 4.170 -0.000 0.000 0.251 131 I C 2.723 178.849 176.117 0.016 0.000 1.129 131 I CA 1.446 62.764 61.300 0.031 0.000 1.402 131 I CB -0.296 37.733 38.000 0.047 0.000 1.069 131 I HN 0.267 nan 8.210 nan 0.000 0.424 132 R N 0.421 120.925 120.500 0.007 0.000 2.105 132 R HA 0.143 4.483 4.340 -0.000 0.000 0.214 132 R C 2.520 178.823 176.300 0.006 0.000 1.091 132 R CA 0.907 57.009 56.100 0.004 0.000 1.007 132 R CB -0.319 29.980 30.300 -0.001 0.000 0.912 132 R HN 0.267 nan 8.270 nan 0.000 0.450 133 A N 0.803 123.625 122.820 0.004 0.000 2.042 133 A HA -0.207 4.113 4.320 -0.000 0.000 0.222 133 A C 1.943 179.535 177.584 0.014 0.000 1.167 133 A CA 2.293 54.334 52.037 0.006 0.000 0.649 133 A CB -0.645 18.354 19.000 -0.002 0.000 0.809 133 A HN 0.505 nan 8.150 nan 0.000 0.457 134 T N -4.773 109.790 114.554 0.016 0.000 3.044 134 T HA 0.459 4.809 4.350 -0.000 0.000 0.260 134 T C 0.842 175.556 174.700 0.023 0.000 1.019 134 T CA 0.840 62.954 62.100 0.024 0.000 0.921 134 T CB -0.041 68.845 68.868 0.030 0.000 1.053 134 T HN 1.928 nan 8.240 nan 0.000 0.533 135 G N 1.543 110.353 108.800 0.017 0.000 3.414 135 G HA2 0.268 4.228 3.960 -0.000 0.000 0.504 135 G HA3 0.268 4.228 3.960 -0.000 0.000 0.504 135 G C 0.186 175.096 174.900 0.017 0.000 0.936 135 G CA -0.443 44.665 45.100 0.015 0.000 0.748 135 G HN 0.951 nan 8.290 nan 0.000 0.408 136 A N 1.898 124.725 122.820 0.010 0.000 2.267 136 A HA 0.861 5.181 4.320 -0.000 0.000 0.276 136 A C 1.326 178.911 177.584 0.003 0.000 1.336 136 A CA 1.668 53.711 52.037 0.010 0.000 0.815 136 A CB 0.571 19.572 19.000 0.000 0.000 1.256 136 A HN 2.513 nan 8.150 nan 0.000 0.512 137 Q N -4.407 115.389 119.800 -0.007 0.000 2.131 137 Q HA 0.261 4.601 4.340 -0.000 0.000 0.142 137 Q C -0.512 175.463 176.000 -0.041 0.000 0.773 137 Q CA 1.494 57.281 55.803 -0.026 0.000 0.580 137 Q CB -0.784 27.949 28.738 -0.009 0.000 0.979 137 Q HN 2.439 nan 8.270 nan 0.000 0.369 138 A N 0.156 122.968 122.820 -0.013 0.000 1.476 138 A HA 0.492 4.812 4.320 -0.000 0.000 0.244 138 A C -1.311 176.284 177.584 0.018 0.000 1.127 138 A CA 0.094 52.124 52.037 -0.011 0.000 0.900 138 A CB -0.048 18.939 19.000 -0.021 0.000 0.969 138 A HN 0.743 nan 8.150 nan 0.000 0.390 139 V N 3.700 123.626 119.914 0.020 0.000 2.732 139 V HA 0.675 4.795 4.120 -0.000 0.000 0.297 139 V C -0.096 176.000 176.094 0.004 0.000 1.060 139 V CA -0.149 62.184 62.300 0.055 0.000 1.038 139 V CB 1.358 33.250 31.823 0.115 0.000 1.003 139 V HN 0.943 nan 8.190 nan 0.000 0.481 140 H N 7.325 126.355 119.070 -0.067 0.000 2.538 140 H HA 0.586 5.142 4.556 -0.000 0.000 0.353 140 H C -2.430 172.793 175.328 -0.175 0.000 1.109 140 H CA -2.127 53.828 56.048 -0.154 0.000 1.192 140 H CB 2.760 32.461 29.762 -0.102 0.000 1.555 140 H HN 0.465 nan 8.280 nan 0.000 0.518 141 P HA 0.142 nan 4.420 nan 0.000 0.267 141 P C 0.873 178.213 177.300 0.067 0.000 1.289 141 P CA 1.084 64.197 63.100 0.020 0.000 0.866 141 P CB 1.164 32.751 31.700 -0.188 0.000 1.309 142 G N 1.137 110.070 108.800 0.221 0.000 3.099 142 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.331 142 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.331 142 G C -0.168 174.732 174.900 -0.001 0.000 1.216 142 G CA 1.090 46.054 45.100 -0.227 0.000 0.977 142 G HN 0.550 nan 8.290 nan 0.000 0.600 143 Y N -4.061 116.201 120.300 -0.065 0.000 2.814 143 Y HA 0.498 5.048 4.550 -0.000 0.000 0.348 143 Y C 1.129 176.952 175.900 -0.128 0.000 1.245 143 Y CA -0.164 57.910 58.100 -0.043 0.000 1.086 143 Y CB 0.548 38.990 38.460 -0.030 0.000 1.373 143 Y HN 2.267 nan 8.280 nan 0.000 0.451 144 G N -0.257 108.713 108.800 0.283 0.000 2.219 144 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.271 144 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.271 144 G C 0.035 175.051 174.900 0.194 0.000 0.991 144 G CA 1.565 46.762 45.100 0.161 0.000 0.685 144 G HN 0.769 nan 8.290 nan 0.000 0.531 145 F N -2.160 117.825 119.950 0.059 0.000 2.056 145 F HA 0.425 4.952 4.527 -0.000 0.000 0.210 145 F C 1.563 177.357 175.800 -0.010 0.000 1.238 145 F CA -0.521 57.477 58.000 -0.003 0.000 1.288 145 F CB 0.078 39.033 39.000 -0.075 0.000 1.811 145 F HN -0.051 nan 8.300 nan 0.000 0.251 146 L N 0.818 122.132 121.223 0.152 0.000 2.700 146 L HA 0.125 4.465 4.340 -0.000 0.000 0.234 146 L C 1.882 178.867 176.870 0.192 0.000 1.156 146 L CA 0.289 55.140 54.840 0.018 0.000 0.946 146 L CB -0.380 41.401 42.059 -0.464 0.000 1.216 146 L HN 0.179 nan 8.230 nan 0.000 0.493 147 S N -0.860 114.961 115.700 0.202 0.000 2.442 147 S HA -0.104 4.366 4.470 -0.000 0.000 0.236 147 S C 0.794 175.649 174.600 0.425 0.000 1.007 147 S CA 0.925 59.288 58.200 0.272 0.000 0.965 147 S CB -0.232 63.099 63.200 0.218 0.000 0.773 147 S HN 0.564 nan 8.310 nan 0.000 0.504 148 E N 1.169 121.549 120.200 0.299 0.000 3.909 148 E HA 0.287 4.637 4.350 -0.000 0.000 0.236 148 E C -1.182 175.519 176.600 0.168 0.000 1.222 148 E CA -0.240 56.291 56.400 0.220 0.000 1.205 148 E CB 0.407 30.206 29.700 0.165 0.000 1.249 148 E HN 0.289 nan 8.360 nan 0.000 0.411 149 N N 1.036 119.857 118.700 0.201 0.000 2.609 149 N HA 0.096 4.836 4.740 -0.000 0.000 0.268 149 N C 0.361 175.966 175.510 0.158 0.000 1.106 149 N CA -0.020 53.124 53.050 0.156 0.000 0.823 149 N CB 1.335 39.913 38.487 0.153 0.000 1.263 149 N HN -0.038 nan 8.380 nan 0.000 0.533 150 S N 2.719 118.460 115.700 0.069 0.000 2.407 150 S HA -0.256 4.214 4.470 -0.000 0.000 0.244 150 S C 1.632 176.258 174.600 0.044 0.000 1.077 150 S CA 1.488 59.696 58.200 0.014 0.000 1.159 150 S CB -0.072 63.122 63.200 -0.009 0.000 1.045 150 S HN 0.638 nan 8.310 nan 0.000 0.438 151 K N -0.218 120.225 120.400 0.073 0.000 2.071 151 K HA -0.242 4.078 4.320 -0.000 0.000 0.217 151 K C 1.870 178.542 176.600 0.119 0.000 1.054 151 K CA 2.160 58.495 56.287 0.081 0.000 0.937 151 K CB -0.496 32.060 32.500 0.092 0.000 0.719 151 K HN 0.461 nan 8.250 nan 0.000 0.454 152 F N 0.975 120.954 119.950 0.047 0.000 2.234 152 F HA -0.114 4.413 4.527 0.000 0.000 0.299 152 F C 2.159 178.021 175.800 0.104 0.000 1.087 152 F CA 1.119 59.171 58.000 0.088 0.000 1.340 152 F CB -0.100 38.983 39.000 0.138 0.000 1.031 152 F HN 0.003 nan 8.300 nan 0.000 0.500 153 A N -0.256 122.601 122.820 0.062 0.000 1.972 153 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 153 A C 2.012 179.465 177.584 -0.218 0.000 1.169 153 A CA 1.953 53.873 52.037 -0.195 0.000 0.635 153 A CB -0.688 18.103 19.000 -0.348 0.000 0.810 153 A HN 0.471 nan 8.150 nan 0.000 0.446 154 E N -0.219 119.895 120.200 -0.143 0.000 2.102 154 E HA 0.166 4.516 4.350 -0.000 0.000 0.190 154 E C 2.042 178.567 176.600 -0.125 0.000 0.971 154 E CA 1.150 57.477 56.400 -0.121 0.000 0.821 154 E CB -0.490 29.163 29.700 -0.078 0.000 0.777 154 E HN 0.394 nan 8.360 nan 0.000 0.460 155 A N 0.741 123.485 122.820 -0.128 0.000 2.032 155 A HA -0.172 4.148 4.320 -0.000 0.000 0.221 155 A C 2.199 179.677 177.584 -0.175 0.000 1.165 155 A CA 1.363 53.325 52.037 -0.125 0.000 0.645 155 A CB -0.704 18.237 19.000 -0.098 0.000 0.807 155 A HN 0.340 nan 8.150 nan 0.000 0.453 156 L N -1.351 119.714 121.223 -0.263 0.000 2.072 156 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 156 L C 2.625 179.414 176.870 -0.135 0.000 1.079 156 L CA 1.663 56.361 54.840 -0.237 0.000 0.752 156 L CB -0.437 41.456 42.059 -0.275 0.000 0.906 156 L HN 0.588 nan 8.230 nan 0.000 0.436 157 E N 0.752 120.877 120.200 -0.124 0.000 2.204 157 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 157 E C 1.821 178.376 176.600 -0.075 0.000 0.989 157 E CA 0.812 57.158 56.400 -0.091 0.000 0.824 157 E CB 0.072 29.715 29.700 -0.095 0.000 0.756 157 E HN 0.419 nan 8.360 nan 0.000 0.477 158 A N 0.525 123.298 122.820 -0.079 0.000 2.250 158 A HA -0.055 4.265 4.320 -0.000 0.000 0.208 158 A C 0.958 178.509 177.584 -0.055 0.000 1.254 158 A CA 0.619 52.620 52.037 -0.061 0.000 0.858 158 A CB -0.065 18.900 19.000 -0.058 0.000 0.820 158 A HN 0.244 nan 8.150 nan 0.000 0.484 159 E N -3.091 117.073 120.200 -0.060 0.000 2.652 159 E HA 0.168 4.518 4.350 -0.000 0.000 0.197 159 E C 1.096 177.669 176.600 -0.046 0.000 0.936 159 E CA 0.770 57.139 56.400 -0.050 0.000 1.638 159 E CB -0.054 29.612 29.700 -0.057 0.000 1.884 159 E HN 0.913 nan 8.360 nan 0.000 1.005 160 G N 1.691 110.459 108.800 -0.053 0.000 2.179 160 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 160 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 160 G C 0.345 175.215 174.900 -0.049 0.000 0.990 160 G CA 0.215 45.286 45.100 -0.048 0.000 0.646 160 G HN 0.093 nan 8.290 nan 0.000 0.517 161 V N 2.716 122.598 119.914 -0.054 0.000 2.390 161 V HA 0.255 4.375 4.120 -0.000 0.000 0.260 161 V C 1.452 177.529 176.094 -0.030 0.000 1.043 161 V CA -0.189 62.084 62.300 -0.045 0.000 1.047 161 V CB 0.420 32.209 31.823 -0.057 0.000 1.066 161 V HN 0.347 nan 8.190 nan 0.000 0.481 162 I N 6.121 126.676 120.570 -0.026 0.000 2.933 162 I HA -0.057 4.113 4.170 -0.000 0.000 0.301 162 I C 0.717 176.870 176.117 0.059 0.000 1.163 162 I CA 0.136 61.434 61.300 -0.003 0.000 1.629 162 I CB -0.535 37.441 38.000 -0.039 0.000 1.530 162 I HN 0.576 nan 8.210 nan 0.000 0.755 163 F N 7.727 127.617 119.950 -0.099 0.000 2.464 163 F HA 0.012 4.539 4.527 -0.000 0.000 0.322 163 F C 0.621 176.362 175.800 -0.097 0.000 1.244 163 F CA -0.029 57.925 58.000 -0.075 0.000 0.954 163 F CB -0.023 38.928 39.000 -0.083 0.000 1.202 163 F HN 0.171 nan 8.300 nan 0.000 0.616 164 V N 8.072 127.968 119.914 -0.030 0.000 2.452 164 V HA 0.452 4.572 4.120 -0.000 0.000 0.286 164 V C 0.512 176.547 176.094 -0.098 0.000 0.995 164 V CA 1.299 63.551 62.300 -0.080 0.000 1.116 164 V CB -0.359 31.362 31.823 -0.171 0.000 0.954 164 V HN 1.136 nan 8.190 nan 0.000 0.473 165 G N 7.241 116.105 108.800 0.108 0.000 2.530 165 G HA2 0.174 4.134 3.960 -0.000 0.000 0.081 165 G HA3 0.174 4.134 3.960 -0.000 0.000 0.081 165 G C -3.459 171.471 174.900 0.050 0.000 1.062 165 G CA -0.038 45.155 45.100 0.155 0.000 1.108 165 G HN 0.600 nan 8.290 nan 0.000 0.466 166 P HA 0.465 nan 4.420 nan 0.000 0.289 166 P C -2.724 174.350 177.300 -0.377 0.000 1.293 166 P CA -1.789 61.046 63.100 -0.441 0.000 0.897 166 P CB 1.667 32.923 31.700 -0.739 0.000 1.166 167 P HA 0.036 nan 4.420 nan 0.000 0.276 167 P C 0.756 177.883 177.300 -0.289 0.000 1.235 167 P CA -0.227 62.700 63.100 -0.288 0.000 0.772 167 P CB 0.759 32.338 31.700 -0.202 0.000 0.871 168 K N 2.605 122.816 120.400 -0.314 0.000 2.448 168 K HA -0.173 4.147 4.320 -0.000 0.000 0.200 168 K C 1.406 177.915 176.600 -0.151 0.000 1.045 168 K CA 1.974 58.113 56.287 -0.248 0.000 0.933 168 K CB -1.470 30.898 32.500 -0.221 0.000 0.755 168 K HN 0.519 nan 8.250 nan 0.000 0.481 169 G N 1.365 110.084 108.800 -0.135 0.000 2.551 169 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.214 169 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.214 169 G C 1.784 176.643 174.900 -0.068 0.000 1.250 169 G CA 1.135 46.185 45.100 -0.085 0.000 0.825 169 G HN 0.427 nan 8.290 nan 0.000 0.549 170 A N 0.576 123.347 122.820 -0.081 0.000 2.042 170 A HA -0.097 4.223 4.320 -0.000 0.000 0.222 170 A C 2.385 179.953 177.584 -0.028 0.000 1.167 170 A CA 1.545 53.556 52.037 -0.044 0.000 0.649 170 A CB -0.452 18.501 19.000 -0.078 0.000 0.809 170 A HN 0.430 nan 8.150 nan 0.000 0.457 171 I N -0.751 119.771 120.570 -0.079 0.000 2.142 171 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 171 I C 2.402 178.523 176.117 0.007 0.000 1.078 171 I CA 1.916 63.193 61.300 -0.038 0.000 1.343 171 I CB -0.484 37.469 38.000 -0.079 0.000 1.046 171 I HN 0.410 nan 8.210 nan 0.000 0.405 172 E N 0.875 121.070 120.200 -0.009 0.000 2.347 172 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 172 E C 2.153 178.767 176.600 0.024 0.000 1.008 172 E CA 0.854 57.260 56.400 0.009 0.000 0.852 172 E CB -0.108 29.590 29.700 -0.004 0.000 0.783 172 E HN 0.500 nan 8.360 nan 0.000 0.505 173 A N 1.713 124.548 122.820 0.025 0.000 1.834 173 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 173 A C 1.885 179.511 177.584 0.071 0.000 1.203 173 A CA 1.282 53.345 52.037 0.043 0.000 0.621 173 A CB -0.234 18.793 19.000 0.045 0.000 0.841 173 A HN 0.125 nan 8.150 nan 0.000 0.446 174 M N 0.569 120.228 119.600 0.099 0.000 2.639 174 M HA 0.104 4.584 4.480 -0.000 0.000 0.220 174 M C 1.708 178.072 176.300 0.107 0.000 1.155 174 M CA 0.470 55.849 55.300 0.132 0.000 1.003 174 M CB -1.670 31.039 32.600 0.182 0.000 1.725 174 M HN 0.473 nan 8.290 nan 0.000 0.489 175 G N 0.410 109.257 108.800 0.078 0.000 2.494 175 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.216 175 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.216 175 G C 0.100 175.036 174.900 0.059 0.000 1.140 175 G CA 0.078 45.218 45.100 0.066 0.000 0.801 175 G HN 0.476 nan 8.290 nan 0.000 0.536 176 D N -0.977 119.458 120.400 0.058 0.000 2.217 176 D HA 0.344 4.984 4.640 -0.000 0.000 0.243 176 D C 1.355 177.693 176.300 0.064 0.000 1.054 176 D CA -0.615 53.415 54.000 0.051 0.000 0.838 176 D CB 1.439 42.262 40.800 0.039 0.000 1.162 176 D HN -0.043 nan 8.370 nan 0.000 0.472 177 K N 2.510 122.945 120.400 0.058 0.000 1.987 177 K HA -0.189 4.131 4.320 -0.000 0.000 0.216 177 K C 1.722 178.366 176.600 0.073 0.000 1.051 177 K CA 1.604 57.933 56.287 0.070 0.000 0.942 177 K CB -0.346 32.184 32.500 0.050 0.000 0.722 177 K HN 0.470 nan 8.250 nan 0.000 0.444 178 I N 1.597 122.196 120.570 0.048 0.000 2.074 178 I HA -0.371 3.799 4.170 -0.000 0.000 0.238 178 I C 2.470 178.613 176.117 0.044 0.000 1.037 178 I CA 1.951 63.275 61.300 0.038 0.000 1.301 178 I CB -1.318 36.696 38.000 0.023 0.000 1.016 178 I HN 0.236 nan 8.210 nan 0.000 0.400 179 T N 0.234 114.813 114.554 0.042 0.000 2.624 179 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 179 T C 2.081 176.812 174.700 0.052 0.000 1.041 179 T CA 2.141 64.265 62.100 0.040 0.000 1.159 179 T CB -0.657 68.234 68.868 0.039 0.000 0.863 179 T HN 0.351 nan 8.240 nan 0.000 0.434 180 S N 1.357 117.108 115.700 0.085 0.000 2.359 180 S HA -0.147 4.323 4.470 -0.000 0.000 0.224 180 S C 2.138 176.794 174.600 0.093 0.000 1.035 180 S CA 0.971 59.246 58.200 0.125 0.000 1.018 180 S CB -0.260 63.071 63.200 0.220 0.000 0.876 180 S HN 0.405 nan 8.310 nan 0.000 0.448 181 K N 1.599 122.062 120.400 0.104 0.000 2.015 181 K HA -0.149 4.171 4.320 -0.000 0.000 0.216 181 K C 2.101 178.701 176.600 0.000 0.000 1.052 181 K CA 1.475 57.805 56.287 0.072 0.000 0.937 181 K CB -0.648 31.891 32.500 0.065 0.000 0.719 181 K HN 0.338 nan 8.250 nan 0.000 0.446 182 K N 0.727 121.130 120.400 0.006 0.000 2.002 182 K HA -0.049 4.271 4.320 -0.000 0.000 0.209 182 K C 2.233 178.814 176.600 -0.033 0.000 1.048 182 K CA 1.275 57.555 56.287 -0.011 0.000 0.930 182 K CB -0.218 32.282 32.500 0.001 0.000 0.714 182 K HN 0.075 nan 8.250 nan 0.000 0.438 183 I N 0.681 121.237 120.570 -0.024 0.000 2.623 183 I HA -0.288 3.882 4.170 -0.000 0.000 0.261 183 I C 2.127 178.192 176.117 -0.087 0.000 1.204 183 I CA 1.034 62.315 61.300 -0.032 0.000 1.444 183 I CB -0.320 37.680 38.000 -0.000 0.000 1.094 183 I HN 0.238 nan 8.210 nan 0.000 0.451 184 A N -0.029 122.695 122.820 -0.161 0.000 1.973 184 A HA -0.043 4.277 4.320 -0.000 0.000 0.210 184 A C 2.185 179.660 177.584 -0.182 0.000 1.200 184 A CA 0.182 52.048 52.037 -0.285 0.000 0.707 184 A CB -0.158 18.460 19.000 -0.637 0.000 0.862 184 A HN 0.339 nan 8.150 nan 0.000 0.461 185 Q N 0.513 120.239 119.800 -0.123 0.000 1.858 185 Q HA -0.266 4.074 4.340 -0.000 0.000 0.240 185 Q C 1.973 177.938 176.000 -0.058 0.000 1.014 185 Q CA 1.738 57.496 55.803 -0.075 0.000 0.884 185 Q CB -0.485 28.227 28.738 -0.043 0.000 0.957 185 Q HN 0.793 nan 8.270 nan 0.000 0.419 186 E N 1.108 121.283 120.200 -0.041 0.000 2.219 186 E HA -0.181 4.169 4.350 -0.000 0.000 0.198 186 E C 1.561 178.142 176.600 -0.031 0.000 0.998 186 E CA 1.522 57.904 56.400 -0.029 0.000 0.818 186 E CB -0.416 29.272 29.700 -0.019 0.000 0.741 186 E HN 0.373 nan 8.360 nan 0.000 0.477 187 A N 2.016 124.809 122.820 -0.046 0.000 2.248 187 A HA -0.133 4.187 4.320 -0.000 0.000 0.210 187 A C 0.680 178.239 177.584 -0.042 0.000 1.174 187 A CA 0.847 52.859 52.037 -0.042 0.000 0.750 187 A CB -1.250 17.713 19.000 -0.061 0.000 0.780 187 A HN 0.574 nan 8.150 nan 0.000 0.478 188 N N -2.783 115.890 118.700 -0.046 0.000 2.727 188 N HA -0.137 4.603 4.740 -0.000 0.000 0.249 188 N C -0.763 174.716 175.510 -0.051 0.000 1.048 188 N CA 0.817 53.842 53.050 -0.042 0.000 0.714 188 N CB -2.510 35.964 38.487 -0.022 0.000 0.959 188 N HN 0.183 nan 8.380 nan 0.000 0.544 189 V N 0.259 120.117 119.914 -0.094 0.000 2.364 189 V HA 0.392 4.512 4.120 -0.000 0.000 0.272 189 V C 1.021 177.037 176.094 -0.129 0.000 1.036 189 V CA -0.310 61.917 62.300 -0.122 0.000 0.880 189 V CB 1.195 32.859 31.823 -0.264 0.000 0.991 189 V HN 0.583 nan 8.190 nan 0.000 0.460 190 S N 4.938 120.571 115.700 -0.110 0.000 2.542 190 S HA 0.139 4.609 4.470 -0.000 0.000 0.287 190 S C 0.131 174.721 174.600 -0.017 0.000 1.315 190 S CA 0.411 58.532 58.200 -0.132 0.000 1.037 190 S CB 0.172 63.143 63.200 -0.381 0.000 0.822 190 S HN 0.931 nan 8.310 nan 0.000 0.513 191 T N 2.821 117.427 114.554 0.088 0.000 2.942 191 T HA 0.240 4.590 4.350 -0.000 0.000 0.327 191 T C -0.925 173.811 174.700 0.060 0.000 1.360 191 T CA -0.747 61.434 62.100 0.136 0.000 1.055 191 T CB 1.162 70.068 68.868 0.062 0.000 1.261 191 T HN 0.536 nan 8.240 nan 0.000 0.485 192 V N 3.928 123.766 119.914 -0.127 0.000 2.486 192 V HA 0.094 4.214 4.120 -0.000 0.000 0.290 192 V C -1.904 174.042 176.094 -0.246 0.000 0.991 192 V CA -0.471 61.524 62.300 -0.508 0.000 1.142 192 V CB -0.471 31.118 31.823 -0.390 0.000 0.926 192 V HN 0.663 nan 8.190 nan 0.000 0.472 193 P HA 0.513 nan 4.420 nan 0.000 0.271 193 P C 0.177 177.423 177.300 -0.090 0.000 1.216 193 P CA 0.254 63.289 63.100 -0.108 0.000 0.776 193 P CB 1.001 32.650 31.700 -0.085 0.000 0.881 194 G N 0.827 109.620 108.800 -0.012 0.000 2.576 194 G HA2 0.471 4.431 3.960 -0.000 0.000 0.290 194 G HA3 0.471 4.431 3.960 -0.000 0.000 0.290 194 G C -2.553 172.426 174.900 0.132 0.000 1.442 194 G CA -0.308 44.786 45.100 -0.010 0.000 0.792 194 G HN 0.332 nan 8.290 nan 0.000 0.491 195 Y N 0.872 121.145 120.300 -0.045 0.000 2.346 195 Y HA 0.764 5.314 4.550 -0.000 0.000 0.332 195 Y C -0.897 175.145 175.900 0.236 0.000 0.985 195 Y CA -1.842 56.290 58.100 0.054 0.000 1.112 195 Y CB 2.257 40.706 38.460 -0.018 0.000 1.170 195 Y HN 0.591 nan 8.280 nan 0.000 0.447 196 M N 6.352 125.770 119.600 -0.304 0.000 2.078 196 M HA 0.779 5.259 4.480 -0.000 0.000 0.320 196 M C -0.568 175.369 176.300 -0.605 0.000 0.969 196 M CA -0.339 54.800 55.300 -0.269 0.000 0.929 196 M CB 0.668 33.225 32.600 -0.072 0.000 1.504 196 M HN 0.872 nan 8.290 nan 0.000 0.419 197 G N 2.899 111.297 108.800 -0.670 0.000 2.336 197 G HA2 0.392 4.352 3.960 -0.000 0.000 0.286 197 G HA3 0.392 4.352 3.960 -0.000 0.000 0.286 197 G C -2.647 172.166 174.900 -0.145 0.000 1.269 197 G CA -0.937 43.936 45.100 -0.378 0.000 0.873 197 G HN 0.723 nan 8.290 nan 0.000 0.494 198 L N 0.771 122.048 121.223 0.089 0.000 2.307 198 L HA 0.799 5.139 4.340 -0.000 0.000 0.284 198 L C -0.228 176.810 176.870 0.280 0.000 1.023 198 L CA -1.059 53.878 54.840 0.162 0.000 0.810 198 L CB 0.950 43.076 42.059 0.111 0.000 1.231 198 L HN 0.459 nan 8.230 nan 0.000 0.423 199 I N 4.428 125.183 120.570 0.308 0.000 2.359 199 I HA 0.256 4.426 4.170 -0.000 0.000 0.294 199 I C 1.026 177.278 176.117 0.225 0.000 0.987 199 I CA -0.375 61.081 61.300 0.259 0.000 1.225 199 I CB 1.788 39.939 38.000 0.251 0.000 1.366 199 I HN 0.758 nan 8.210 nan 0.000 0.466 200 E N 4.240 124.503 120.200 0.105 0.000 1.998 200 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 200 E C 0.019 176.717 176.600 0.165 0.000 0.994 200 E CA 1.290 57.754 56.400 0.108 0.000 0.835 200 E CB 0.305 30.030 29.700 0.042 0.000 0.786 200 E HN 0.780 nan 8.360 nan 0.000 0.467 201 D N -2.071 118.337 120.400 0.013 0.000 2.525 201 D HA 0.261 4.901 4.640 -0.000 0.000 0.249 201 D C 0.519 176.525 176.300 -0.490 0.000 1.072 201 D CA 0.091 54.089 54.000 -0.003 0.000 1.067 201 D CB 0.811 41.617 40.800 0.010 0.000 1.282 201 D HN 0.163 nan 8.370 nan 0.000 0.587 202 A N -0.087 122.551 122.820 -0.305 0.000 1.972 202 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 202 A C 1.563 178.933 177.584 -0.358 0.000 1.169 202 A CA 1.732 53.486 52.037 -0.471 0.000 0.635 202 A CB -0.696 18.321 19.000 0.027 0.000 0.810 202 A HN 0.542 nan 8.150 nan 0.000 0.446 203 D N -0.745 119.527 120.400 -0.214 0.000 2.144 203 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 203 D C 1.926 178.110 176.300 -0.192 0.000 0.984 203 D CA 1.479 55.385 54.000 -0.156 0.000 0.834 203 D CB -0.192 40.551 40.800 -0.094 0.000 0.955 203 D HN 0.749 nan 8.370 nan 0.000 0.465 204 E N 0.098 120.154 120.200 -0.239 0.000 2.158 204 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 204 E C 1.938 178.371 176.600 -0.279 0.000 0.982 204 E CA 0.668 56.933 56.400 -0.224 0.000 0.823 204 E CB 0.088 29.675 29.700 -0.189 0.000 0.766 204 E HN 0.136 nan 8.360 nan 0.000 0.468 205 A N 0.803 123.358 122.820 -0.442 0.000 1.849 205 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 205 A C 2.416 179.867 177.584 -0.220 0.000 1.202 205 A CA 1.975 53.768 52.037 -0.408 0.000 0.629 205 A CB -1.099 17.463 19.000 -0.729 0.000 0.834 205 A HN 0.227 nan 8.150 nan 0.000 0.447 206 V N 0.596 120.389 119.914 -0.202 0.000 2.392 206 V HA -0.264 3.856 4.120 -0.000 0.000 0.249 206 V C 2.661 178.694 176.094 -0.101 0.000 1.059 206 V CA 2.299 64.529 62.300 -0.116 0.000 1.051 206 V CB -0.710 31.055 31.823 -0.096 0.000 0.658 206 V HN 0.533 nan 8.190 nan 0.000 0.455 207 K N 0.375 120.699 120.400 -0.126 0.000 2.063 207 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 207 K C 1.908 178.436 176.600 -0.120 0.000 1.048 207 K CA 1.868 58.088 56.287 -0.112 0.000 0.928 207 K CB -0.459 31.965 32.500 -0.127 0.000 0.713 207 K HN 0.527 nan 8.250 nan 0.000 0.442 208 I N 0.144 120.619 120.570 -0.158 0.000 2.193 208 I HA -0.216 3.954 4.170 -0.000 0.000 0.240 208 I C 2.302 178.356 176.117 -0.105 0.000 1.084 208 I CA 0.756 61.951 61.300 -0.174 0.000 1.365 208 I CB -0.463 37.388 38.000 -0.250 0.000 1.064 208 I HN -0.009 nan 8.210 nan 0.000 0.410 209 S N 1.268 116.919 115.700 -0.081 0.000 2.377 209 S HA -0.254 4.216 4.470 -0.000 0.000 0.224 209 S C 1.795 176.385 174.600 -0.017 0.000 1.042 209 S CA 2.275 60.449 58.200 -0.045 0.000 1.086 209 S CB -0.673 62.508 63.200 -0.032 0.000 0.995 209 S HN 0.412 nan 8.310 nan 0.000 0.428 210 N N 0.856 119.554 118.700 -0.003 0.000 2.137 210 N HA -0.124 4.616 4.740 -0.000 0.000 0.190 210 N C 1.833 177.336 175.510 -0.012 0.000 1.017 210 N CA 0.980 54.046 53.050 0.027 0.000 0.859 210 N CB -0.202 38.299 38.487 0.024 0.000 1.002 210 N HN 0.213 nan 8.380 nan 0.000 0.428 211 Q N 0.297 120.071 119.800 -0.043 0.000 2.226 211 Q HA -0.038 4.302 4.340 -0.000 0.000 0.204 211 Q C 1.811 177.779 176.000 -0.054 0.000 0.975 211 Q CA 0.996 56.766 55.803 -0.055 0.000 0.866 211 Q CB -0.032 28.657 28.738 -0.081 0.000 0.915 211 Q HN 0.515 nan 8.270 nan 0.000 0.440 212 I N -1.124 119.414 120.570 -0.053 0.000 2.480 212 I HA -0.005 4.165 4.170 -0.000 0.000 0.251 212 I C 0.682 176.764 176.117 -0.059 0.000 1.124 212 I CA 0.798 62.064 61.300 -0.056 0.000 1.444 212 I CB 0.237 38.198 38.000 -0.066 0.000 1.098 212 I HN 0.284 nan 8.210 nan 0.000 0.428 213 G N 1.550 110.315 108.800 -0.058 0.000 3.055 213 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.654 213 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.654 213 G C -0.252 174.557 174.900 -0.152 0.000 1.134 213 G CA -0.388 44.635 45.100 -0.128 0.000 1.049 213 G HN 0.330 nan 8.290 nan 0.000 0.458 214 Y N 1.902 122.180 120.300 -0.037 0.000 2.546 214 Y HA 0.569 5.119 4.550 0.000 0.000 0.351 214 Y C -1.394 174.471 175.900 -0.058 0.000 1.266 214 Y CA -1.347 56.701 58.100 -0.087 0.000 1.487 214 Y CB -0.171 38.249 38.460 -0.067 0.000 1.365 214 Y HN 0.443 nan 8.280 nan 0.000 0.642 215 P HA 0.323 nan 4.420 nan 0.000 0.277 215 P C -0.926 176.261 177.300 -0.189 0.000 1.240 215 P CA -0.299 62.617 63.100 -0.306 0.000 0.798 215 P CB 2.022 32.990 31.700 -1.219 0.000 0.979 216 V N -1.269 118.510 119.914 -0.226 0.000 3.160 216 V HA 0.667 4.787 4.120 -0.000 0.000 0.310 216 V C -0.439 175.548 176.094 -0.177 0.000 1.181 216 V CA -1.314 60.900 62.300 -0.144 0.000 1.047 216 V CB 2.065 33.817 31.823 -0.119 0.000 1.068 216 V HN 0.355 nan 8.190 nan 0.000 0.441 217 M N 3.187 122.708 119.600 -0.133 0.000 2.085 217 M HA 0.566 5.046 4.480 -0.000 0.000 0.309 217 M C -1.254 174.983 176.300 -0.104 0.000 0.947 217 M CA -0.452 54.788 55.300 -0.101 0.000 0.918 217 M CB 1.804 34.394 32.600 -0.017 0.000 1.504 217 M HN 0.447 nan 8.290 nan 0.000 0.420 218 I N 4.209 124.746 120.570 -0.056 0.000 2.301 218 I HA 0.360 4.530 4.170 -0.000 0.000 0.292 218 I C -0.101 176.039 176.117 0.039 0.000 1.046 218 I CA -0.130 61.165 61.300 -0.008 0.000 1.282 218 I CB 0.082 38.114 38.000 0.053 0.000 1.409 218 I HN 0.719 nan 8.210 nan 0.000 0.484 219 K N 4.363 124.811 120.400 0.080 0.000 2.375 219 K HA 0.742 5.062 4.320 -0.000 0.000 0.249 219 K C -0.511 176.168 176.600 0.130 0.000 0.942 219 K CA -0.821 55.537 56.287 0.118 0.000 0.806 219 K CB 2.660 35.270 32.500 0.185 0.000 1.227 219 K HN 0.621 nan 8.250 nan 0.000 0.430 220 A N 1.133 123.998 122.820 0.075 0.000 2.454 220 A HA 0.079 4.399 4.320 -0.000 0.000 0.260 220 A C 1.226 178.843 177.584 0.055 0.000 1.106 220 A CA -0.105 51.962 52.037 0.050 0.000 0.780 220 A CB 0.731 19.737 19.000 0.010 0.000 1.044 220 A HN 0.788 nan 8.150 nan 0.000 0.498 221 S N 1.629 117.357 115.700 0.045 0.000 2.440 221 S HA 0.003 4.473 4.470 -0.000 0.000 0.238 221 S C 1.165 175.747 174.600 -0.030 0.000 1.010 221 S CA 1.270 59.468 58.200 -0.004 0.000 0.972 221 S CB -0.506 62.672 63.200 -0.038 0.000 0.774 221 S HN 1.148 nan 8.310 nan 0.000 0.501 230 R N 2.005 122.505 120.500 0.000 0.000 4.635 230 R HA 0.433 4.773 4.340 -0.000 0.000 0.305 230 R C -2.564 173.682 176.300 -0.089 0.000 0.882 230 R CA -0.350 55.736 56.100 -0.023 0.000 1.298 230 R CB -0.099 30.201 30.300 0.001 0.000 1.324 230 R HN 0.723 nan 8.270 nan 0.000 0.544 231 I N 2.714 123.186 120.570 -0.163 0.000 2.662 231 I HA 0.685 4.855 4.170 -0.000 0.000 0.291 231 I C 0.685 176.607 176.117 -0.325 0.000 1.046 231 I CA -0.140 60.934 61.300 -0.376 0.000 1.361 231 I CB 1.581 39.166 38.000 -0.691 0.000 1.429 231 I HN 0.696 nan 8.210 nan 0.000 0.558 232 A N 4.109 126.643 122.820 -0.477 0.000 2.311 232 A HA 0.480 4.800 4.320 -0.000 0.000 0.306 232 A C -0.457 176.837 177.584 -0.483 0.000 1.189 232 A CA -0.571 51.286 52.037 -0.299 0.000 0.791 232 A CB 0.083 18.987 19.000 -0.161 0.000 1.172 232 A HN 0.843 nan 8.150 nan 0.000 0.481 233 W N 1.856 123.111 121.300 -0.074 0.000 2.762 233 W HA 0.121 4.781 4.660 -0.000 0.000 0.265 233 W C 0.721 176.997 176.519 -0.405 0.000 1.263 233 W CA 0.574 57.840 57.345 -0.132 0.000 1.411 233 W CB 0.343 29.736 29.460 -0.112 0.000 1.065 233 W HN 0.785 nan 8.180 nan 0.000 0.609 234 N N 0.327 118.950 118.700 -0.128 0.000 2.284 234 N HA 0.034 4.774 4.740 -0.000 0.000 0.289 234 N C 0.133 175.579 175.510 -0.107 0.000 1.179 234 N CA -0.240 52.676 53.050 -0.224 0.000 0.774 234 N CB 0.997 39.392 38.487 -0.154 0.000 1.548 234 N HN -0.082 nan 8.380 nan 0.000 0.473 235 D N 0.120 120.467 120.400 -0.088 0.000 2.309 235 D HA -0.182 4.458 4.640 -0.000 0.000 0.212 235 D C 0.785 177.068 176.300 -0.029 0.000 0.968 235 D CA 1.204 55.178 54.000 -0.044 0.000 0.882 235 D CB 0.002 40.783 40.800 -0.032 0.000 0.918 235 D HN 0.451 nan 8.370 nan 0.000 0.503 236 Q N 0.080 119.861 119.800 -0.031 0.000 2.378 236 Q HA -0.005 4.335 4.340 -0.000 0.000 0.205 236 Q C 1.890 177.891 176.000 0.002 0.000 0.954 236 Q CA 0.959 56.755 55.803 -0.012 0.000 0.901 236 Q CB 0.043 28.773 28.738 -0.014 0.000 0.981 236 Q HN 0.605 nan 8.270 nan 0.000 0.483 237 E N -0.783 119.416 120.200 -0.001 0.000 2.201 237 E HA 0.078 4.427 4.350 -0.000 0.000 0.193 237 E C 1.674 178.283 176.600 0.016 0.000 0.957 237 E CA 0.643 57.053 56.400 0.015 0.000 0.858 237 E CB -0.035 29.683 29.700 0.029 0.000 0.816 237 E HN 0.243 nan 8.360 nan 0.000 0.475 238 A N 1.636 124.456 122.820 0.001 0.000 2.019 238 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 238 A C 2.065 179.691 177.584 0.069 0.000 1.164 238 A CA 1.017 53.063 52.037 0.014 0.000 0.644 238 A CB -0.439 18.552 19.000 -0.014 0.000 0.805 238 A HN 0.120 nan 8.150 nan 0.000 0.449 239 R N 0.020 120.555 120.500 0.058 0.000 2.103 239 R HA -0.193 4.147 4.340 -0.000 0.000 0.234 239 R C 1.930 178.323 176.300 0.155 0.000 1.132 239 R CA 2.036 58.199 56.100 0.104 0.000 0.925 239 R CB -0.954 29.383 30.300 0.062 0.000 0.842 239 R HN 0.745 nan 8.270 nan 0.000 0.430 240 E N -0.375 119.878 120.200 0.089 0.000 2.110 240 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 240 E C 2.060 178.697 176.600 0.061 0.000 0.988 240 E CA 1.111 57.549 56.400 0.064 0.000 0.804 240 E CB -0.336 29.387 29.700 0.038 0.000 0.745 240 E HN 0.535 nan 8.360 nan 0.000 0.458 241 G N 0.847 109.691 108.800 0.073 0.000 2.440 241 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 241 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 241 G C 1.363 176.322 174.900 0.098 0.000 1.154 241 G CA 0.671 45.809 45.100 0.063 0.000 0.767 241 G HN 0.260 nan 8.290 nan 0.000 0.552 242 F N 1.128 121.077 119.950 -0.001 0.000 2.113 242 F HA 0.007 4.534 4.527 0.000 0.000 0.297 242 F C 2.808 178.615 175.800 0.012 0.000 1.103 242 F CA 1.823 59.829 58.000 0.009 0.000 1.248 242 F CB -0.411 38.595 39.000 0.010 0.000 0.999 242 F HN 0.169 nan 8.300 nan 0.000 0.475 243 Q N 0.569 120.275 119.800 -0.158 0.000 2.030 243 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 243 Q C 2.601 178.460 176.000 -0.235 0.000 0.986 243 Q CA 2.833 58.481 55.803 -0.258 0.000 0.843 243 Q CB -0.546 28.163 28.738 -0.047 0.000 0.904 243 Q HN 0.553 nan 8.270 nan 0.000 0.420 244 S N -1.495 114.132 115.700 -0.122 0.000 2.423 244 S HA -0.082 4.388 4.470 -0.000 0.000 0.231 244 S C 2.077 176.612 174.600 -0.109 0.000 1.014 244 S CA 1.222 59.368 58.200 -0.089 0.000 0.965 244 S CB -0.316 62.860 63.200 -0.040 0.000 0.785 244 S HN 0.216 nan 8.310 nan 0.000 0.495 245 S N 1.577 117.193 115.700 -0.139 0.000 2.383 245 S HA 0.086 4.556 4.470 -0.000 0.000 0.227 245 S C 1.712 176.214 174.600 -0.164 0.000 1.026 245 S CA 0.700 58.833 58.200 -0.111 0.000 0.981 245 S CB -0.302 62.870 63.200 -0.046 0.000 0.818 245 S HN 0.537 nan 8.310 nan 0.000 0.472 246 K N 1.036 121.243 120.400 -0.321 0.000 2.520 246 K HA -0.038 4.282 4.320 -0.000 0.000 0.197 246 K C -0.132 176.384 176.600 -0.139 0.000 1.044 246 K CA 0.585 56.712 56.287 -0.266 0.000 0.938 246 K CB -0.104 32.170 32.500 -0.376 0.000 0.767 246 K HN 0.380 nan 8.250 nan 0.000 0.481 257 R N 0.661 121.164 120.500 0.005 0.000 2.428 257 R HA 0.729 5.069 4.340 -0.000 0.000 0.294 257 R C -0.154 176.159 176.300 0.021 0.000 1.000 257 R CA -0.516 55.586 56.100 0.003 0.000 0.960 257 R CB 1.655 31.937 30.300 -0.030 0.000 1.076 257 R HN 0.256 nan 8.270 nan 0.000 0.475 258 I N 2.718 123.313 120.570 0.042 0.000 2.693 258 I HA 0.363 4.533 4.170 -0.000 0.000 0.303 258 I C -0.966 175.207 176.117 0.092 0.000 1.025 258 I CA -0.887 60.471 61.300 0.097 0.000 1.086 258 I CB 1.737 39.847 38.000 0.183 0.000 1.268 258 I HN 0.455 nan 8.210 nan 0.000 0.440 259 F N 6.428 126.354 119.950 -0.041 0.000 2.507 259 F HA 0.623 5.150 4.527 -0.000 0.000 0.325 259 F C -1.084 174.729 175.800 0.022 0.000 1.116 259 F CA -0.835 57.127 58.000 -0.064 0.000 0.930 259 F CB 1.105 40.069 39.000 -0.061 0.000 1.146 259 F HN 0.134 nan 8.300 nan 0.000 0.447 260 I N 5.232 125.484 120.570 -0.530 0.000 2.382 260 I HA 0.290 4.460 4.170 -0.000 0.000 0.285 260 I C -0.980 174.628 176.117 -0.847 0.000 1.007 260 I CA -0.681 60.333 61.300 -0.477 0.000 1.142 260 I CB 1.749 39.694 38.000 -0.092 0.000 1.289 260 I HN 0.540 nan 8.210 nan 0.000 0.453 261 E N 5.767 125.453 120.200 -0.857 0.000 2.191 261 E HA 0.328 4.678 4.350 -0.000 0.000 0.274 261 E C -0.667 175.778 176.600 -0.260 0.000 0.948 261 E CA -0.894 55.134 56.400 -0.620 0.000 0.802 261 E CB 1.313 30.727 29.700 -0.477 0.000 1.137 261 E HN 0.242 nan 8.360 nan 0.000 0.397 262 K N 4.236 124.519 120.400 -0.196 0.000 2.316 262 K HA 0.199 4.519 4.320 -0.000 0.000 0.289 262 K C -1.368 175.174 176.600 -0.096 0.000 1.070 262 K CA -0.280 55.922 56.287 -0.143 0.000 0.928 262 K CB -0.120 32.267 32.500 -0.190 0.000 1.039 262 K HN 0.480 nan 8.250 nan 0.000 0.480 263 F N 4.838 124.682 119.950 -0.176 0.000 2.412 263 F HA 0.342 4.869 4.527 -0.000 0.000 0.348 263 F C -0.491 175.267 175.800 -0.070 0.000 1.102 263 F CA -0.499 57.422 58.000 -0.132 0.000 1.196 263 F CB 0.840 39.728 39.000 -0.186 0.000 1.144 263 F HN 0.237 nan 8.300 nan 0.000 0.541 264 V N 7.476 126.916 119.914 -0.790 0.000 2.334 264 V HA 0.059 4.179 4.120 -0.000 0.000 0.267 264 V C 0.838 176.752 176.094 -0.300 0.000 1.040 264 V CA -0.046 62.025 62.300 -0.382 0.000 0.866 264 V CB 0.404 32.076 31.823 -0.250 0.000 1.019 264 V HN 1.089 nan 8.190 nan 0.000 0.468 265 T N 3.782 118.407 114.554 0.118 0.000 2.427 265 T HA -0.287 4.063 4.350 -0.000 0.000 0.244 265 T C 0.609 175.431 174.700 0.204 0.000 1.325 265 T CA 1.706 63.993 62.100 0.311 0.000 1.173 265 T CB -0.156 68.879 68.868 0.278 0.000 0.859 265 T HN 0.730 nan 8.240 nan 0.000 0.415 266 Q N 1.500 121.362 119.800 0.102 0.000 2.695 266 Q HA 0.274 4.614 4.340 -0.000 0.000 0.246 266 Q C -2.846 173.144 176.000 -0.017 0.000 0.961 266 Q CA -1.920 53.911 55.803 0.046 0.000 0.708 266 Q CB 2.283 31.037 28.738 0.027 0.000 1.282 266 Q HN 0.338 nan 8.270 nan 0.000 0.482 267 P HA -0.080 nan 4.420 nan 0.000 0.258 267 P C -0.804 176.496 177.300 0.000 0.000 1.187 267 P CA 0.420 63.518 63.100 -0.003 0.000 0.767 267 P CB 0.480 32.177 31.700 -0.006 0.000 0.770 268 R N 2.473 122.971 120.500 -0.005 0.000 2.439 268 R HA 0.282 4.622 4.340 -0.000 0.000 0.310 268 R C 0.235 176.590 176.300 0.092 0.000 0.955 268 R CA -0.771 55.329 56.100 -0.000 0.000 0.853 268 R CB 1.292 31.520 30.300 -0.120 0.000 1.171 268 R HN 0.577 nan 8.270 nan 0.000 0.449 269 H N 5.471 124.551 119.070 0.016 0.000 2.934 269 H HA 0.221 4.777 4.556 -0.000 0.000 0.273 269 H C -0.739 174.606 175.328 0.028 0.000 1.121 269 H CA 0.111 56.177 56.048 0.030 0.000 1.451 269 H CB 0.211 29.981 29.762 0.014 0.000 1.469 269 H HN 0.534 nan 8.280 nan 0.000 0.476 270 I N 6.203 126.821 120.570 0.080 0.000 2.418 270 I HA 0.159 4.329 4.170 -0.000 0.000 0.287 270 I C -0.036 176.035 176.117 -0.077 0.000 1.008 270 I CA -0.708 60.637 61.300 0.075 0.000 1.104 270 I CB 1.814 39.866 38.000 0.087 0.000 1.264 270 I HN 0.592 nan 8.210 nan 0.000 0.438 271 E N 6.375 126.526 120.200 -0.082 0.000 2.249 271 E HA 0.753 5.103 4.350 -0.000 0.000 0.263 271 E C -1.329 175.091 176.600 -0.300 0.000 0.950 271 E CA -0.933 55.328 56.400 -0.231 0.000 0.827 271 E CB 2.727 32.384 29.700 -0.071 0.000 1.220 271 E HN 0.285 nan 8.360 nan 0.000 0.411 272 I N 1.261 121.587 120.570 -0.407 0.000 2.465 272 I HA 0.122 4.292 4.170 -0.000 0.000 0.291 272 I C -0.796 175.204 176.117 -0.196 0.000 1.014 272 I CA -0.566 60.536 61.300 -0.331 0.000 1.093 272 I CB 1.984 39.689 38.000 -0.492 0.000 1.267 272 I HN 0.497 nan 8.210 nan 0.000 0.431 273 Q N 5.922 125.657 119.800 -0.107 0.000 2.331 273 Q HA 0.655 4.995 4.340 -0.000 0.000 0.257 273 Q C -1.122 174.855 176.000 -0.039 0.000 0.957 273 Q CA -0.473 55.289 55.803 -0.068 0.000 0.923 273 Q CB 1.205 29.924 28.738 -0.033 0.000 1.212 273 Q HN 0.531 nan 8.270 nan 0.000 0.443 274 V N 2.158 122.027 119.914 -0.076 0.000 2.864 274 V HA 0.778 4.898 4.120 -0.000 0.000 0.314 274 V C -1.081 174.961 176.094 -0.087 0.000 1.073 274 V CA -1.027 61.240 62.300 -0.055 0.000 0.956 274 V CB 2.020 33.798 31.823 -0.075 0.000 1.023 274 V HN 0.771 nan 8.190 nan 0.000 0.435 275 L N 2.389 123.589 121.223 -0.039 0.000 2.464 275 L HA 0.659 4.999 4.340 -0.000 0.000 0.266 275 L C -0.291 176.593 176.870 0.023 0.000 0.965 275 L CA -0.341 54.495 54.840 -0.005 0.000 0.833 275 L CB 1.903 43.967 42.059 0.008 0.000 1.296 275 L HN 1.079 nan 8.230 nan 0.000 0.405 276 C N 1.023 120.362 119.300 0.066 0.000 2.596 276 C HA 0.760 5.220 4.460 -0.000 0.000 0.072 276 C C -0.618 174.408 174.990 0.060 0.000 2.303 276 C CA 0.148 59.208 59.018 0.070 0.000 1.565 276 C CB 0.397 28.198 27.740 0.102 0.000 2.509 276 C HN 0.981 nan 8.230 nan 0.000 0.371 277 D N -1.621 118.799 120.400 0.033 0.000 3.302 277 D HA 0.011 4.651 4.640 -0.000 0.000 0.302 277 D C -0.722 175.462 176.300 -0.192 0.000 1.026 277 D CA -0.275 53.684 54.000 -0.068 0.000 0.712 277 D CB -0.365 40.434 40.800 -0.001 0.000 1.610 277 D HN 0.123 nan 8.370 nan 0.000 0.502 278 S N -0.846 114.584 115.700 -0.450 0.000 2.786 278 S HA 0.029 4.499 4.470 -0.000 0.000 0.223 278 S C 0.091 174.456 174.600 -0.391 0.000 0.956 278 S CA -0.127 57.842 58.200 -0.385 0.000 0.961 278 S CB -0.501 62.502 63.200 -0.328 0.000 0.784 278 S HN 0.403 nan 8.310 nan 0.000 0.519 279 H N -0.374 118.711 119.070 0.025 0.000 2.481 279 H HA 0.338 4.894 4.556 0.000 0.000 0.273 279 H C 1.630 176.972 175.328 0.024 0.000 1.145 279 H CA 0.085 56.146 56.048 0.021 0.000 0.964 279 H CB -0.198 29.576 29.762 0.021 0.000 1.722 279 H HN 0.403 nan 8.280 nan 0.000 0.573 280 G N 1.464 110.308 108.800 0.073 0.000 2.530 280 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.247 280 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.247 280 G C 0.606 175.543 174.900 0.062 0.000 1.067 280 G CA 0.717 45.854 45.100 0.062 0.000 0.650 280 G HN 0.425 nan 8.290 nan 0.000 0.531 281 N N 1.324 120.070 118.700 0.078 0.000 2.340 281 N HA 0.499 5.239 4.740 -0.000 0.000 0.236 281 N C 0.442 175.985 175.510 0.054 0.000 1.296 281 N CA 1.520 54.608 53.050 0.063 0.000 0.896 281 N CB 0.775 39.304 38.487 0.070 0.000 1.127 281 N HN 1.231 nan 8.380 nan 0.000 0.442 282 G N -0.848 107.977 108.800 0.041 0.000 2.503 282 G HA2 0.480 4.440 3.960 -0.000 0.000 0.305 282 G HA3 0.480 4.440 3.960 -0.000 0.000 0.305 282 G C -1.372 173.541 174.900 0.021 0.000 1.575 282 G CA -0.769 44.353 45.100 0.036 0.000 0.890 282 G HN 0.630 nan 8.290 nan 0.000 0.612 283 I N -0.727 119.842 120.570 -0.003 0.000 3.006 283 I HA 0.814 4.984 4.170 -0.000 0.000 0.306 283 I C -0.859 175.236 176.117 -0.036 0.000 1.250 283 I CA -1.780 59.486 61.300 -0.056 0.000 0.996 283 I CB 2.340 40.247 38.000 -0.155 0.000 1.261 283 I HN 0.646 nan 8.210 nan 0.000 0.442 284 Y N 2.352 122.623 120.300 -0.048 0.000 2.453 284 Y HA 0.807 5.357 4.550 0.000 0.000 0.326 284 Y C -0.877 174.983 175.900 -0.067 0.000 1.186 284 Y CA -1.455 56.602 58.100 -0.072 0.000 1.200 284 Y CB 1.018 39.425 38.460 -0.088 0.000 1.247 284 Y HN 0.419 nan 8.280 nan 0.000 0.482 285 L N 3.200 124.454 121.223 0.052 0.000 2.839 285 L HA 0.673 5.013 4.340 -0.000 0.000 0.259 285 L C 0.489 177.373 176.870 0.024 0.000 1.369 285 L CA 0.145 54.974 54.840 -0.019 0.000 0.845 285 L CB 0.405 42.437 42.059 -0.044 0.000 1.181 285 L HN 1.222 nan 8.230 nan 0.000 0.529 286 G N 0.419 109.293 108.800 0.123 0.000 2.782 286 G HA2 0.011 3.971 3.960 -0.000 0.000 0.228 286 G HA3 0.011 3.971 3.960 -0.000 0.000 0.228 286 G C -0.742 174.135 174.900 -0.039 0.000 1.372 286 G CA -0.159 44.962 45.100 0.035 0.000 0.862 286 G HN 0.573 nan 8.290 nan 0.000 0.547 287 E N -0.023 120.122 120.200 -0.092 0.000 2.336 287 E HA 0.748 5.098 4.350 -0.000 0.000 0.267 287 E C -0.463 176.076 176.600 -0.102 0.000 0.906 287 E CA -1.028 55.300 56.400 -0.120 0.000 0.781 287 E CB 1.454 31.069 29.700 -0.143 0.000 1.261 287 E HN 0.814 nan 8.360 nan 0.000 0.436 288 R N 1.024 121.482 120.500 -0.070 0.000 2.561 288 R HA 0.378 4.718 4.340 -0.000 0.000 0.297 288 R C -0.554 175.763 176.300 0.029 0.000 0.969 288 R CA -0.735 55.344 56.100 -0.035 0.000 0.879 288 R CB 2.052 32.335 30.300 -0.028 0.000 1.178 288 R HN 0.618 nan 8.270 nan 0.000 0.445 289 E N 2.416 122.652 120.200 0.061 0.000 2.109 289 E HA 0.197 4.547 4.350 -0.000 0.000 0.278 289 E C -0.697 175.943 176.600 0.067 0.000 0.954 289 E CA -0.590 55.873 56.400 0.105 0.000 0.779 289 E CB 0.789 30.569 29.700 0.133 0.000 1.093 289 E HN 0.689 nan 8.360 nan 0.000 0.401 290 C N 3.982 123.300 119.300 0.031 0.000 2.513 290 C HA 0.233 4.693 4.460 -0.000 0.000 0.281 290 C C 1.644 176.540 174.990 -0.158 0.000 1.501 290 C CA -0.510 58.431 59.018 -0.128 0.000 1.749 290 C CB -1.289 26.266 27.740 -0.308 0.000 2.955 290 C HN 0.674 nan 8.230 nan 0.000 0.532 291 S N 2.015 117.701 115.700 -0.023 0.000 2.368 291 S HA -0.078 4.392 4.470 -0.000 0.000 0.225 291 S C 0.798 175.390 174.600 -0.013 0.000 1.030 291 S CA 1.066 59.272 58.200 0.009 0.000 0.999 291 S CB -0.236 62.974 63.200 0.017 0.000 0.844 291 S HN 0.715 nan 8.310 nan 0.000 0.459 292 I N 3.303 123.839 120.570 -0.057 0.000 2.624 292 I HA 0.095 4.265 4.170 -0.000 0.000 0.307 292 I C 0.274 176.394 176.117 0.004 0.000 1.191 292 I CA 0.175 61.453 61.300 -0.037 0.000 1.708 292 I CB -1.228 36.653 38.000 -0.198 0.000 1.521 292 I HN 0.260 nan 8.210 nan 0.000 0.805 293 Q N 4.751 124.573 119.800 0.037 0.000 2.397 293 Q HA 0.657 4.997 4.340 -0.000 0.000 0.275 293 Q C -0.635 175.381 176.000 0.027 0.000 1.090 293 Q CA -1.140 54.671 55.803 0.013 0.000 0.809 293 Q CB 2.435 31.145 28.738 -0.046 0.000 1.362 293 Q HN 0.591 nan 8.270 nan 0.000 0.431 294 R N 1.629 122.120 120.500 -0.015 0.000 2.338 294 R HA 0.429 4.769 4.340 -0.000 0.000 0.317 294 R C -0.408 175.818 176.300 -0.123 0.000 0.968 294 R CA -0.350 55.691 56.100 -0.097 0.000 0.849 294 R CB 0.916 31.064 30.300 -0.254 0.000 1.128 294 R HN 0.901 nan 8.270 nan 0.000 0.448 295 R N 3.089 123.527 120.500 -0.105 0.000 3.641 295 R HA -0.295 4.045 4.340 -0.000 0.000 0.286 295 R C -0.402 175.861 176.300 -0.061 0.000 1.153 295 R CA 0.973 57.019 56.100 -0.089 0.000 0.775 295 R CB -1.375 28.849 30.300 -0.126 0.000 1.215 295 R HN 1.091 nan 8.270 nan 0.000 0.474 296 N N -1.644 117.032 118.700 -0.041 0.000 2.955 296 N HA -0.255 4.485 4.740 -0.000 0.000 0.230 296 N C 0.045 175.533 175.510 -0.037 0.000 0.891 296 N CA 1.830 54.864 53.050 -0.028 0.000 1.002 296 N CB -0.492 37.985 38.487 -0.017 0.000 1.063 296 N HN 0.682 nan 8.380 nan 0.000 0.601 297 Q N 1.939 121.711 119.800 -0.047 0.000 2.294 297 Q HA 0.237 4.577 4.340 -0.000 0.000 0.257 297 Q C -0.454 175.550 176.000 0.007 0.000 0.955 297 Q CA -0.261 55.525 55.803 -0.028 0.000 0.936 297 Q CB 0.718 29.415 28.738 -0.069 0.000 1.188 297 Q HN 0.055 nan 8.270 nan 0.000 0.420 298 K N 2.399 122.803 120.400 0.008 0.000 2.448 298 K HA 0.025 4.345 4.320 -0.000 0.000 0.278 298 K C 0.161 176.801 176.600 0.066 0.000 1.009 298 K CA -0.199 56.081 56.287 -0.012 0.000 0.995 298 K CB 0.982 33.439 32.500 -0.072 0.000 0.917 298 K HN 0.509 nan 8.250 nan 0.000 0.481 299 V N 2.147 122.079 119.914 0.030 0.000 2.911 299 V HA 0.040 4.160 4.120 -0.000 0.000 0.237 299 V C -0.024 176.035 176.094 -0.058 0.000 1.156 299 V CA 0.145 62.475 62.300 0.049 0.000 1.180 299 V CB 1.079 32.974 31.823 0.120 0.000 0.932 299 V HN 0.440 nan 8.190 nan 0.000 0.483 300 V N 1.480 121.338 119.914 -0.093 0.000 2.525 300 V HA 0.581 4.701 4.120 -0.000 0.000 0.299 300 V C -1.252 174.796 176.094 -0.077 0.000 1.034 300 V CA -0.576 61.645 62.300 -0.132 0.000 0.863 300 V CB 1.794 33.461 31.823 -0.261 0.000 0.999 300 V HN 0.428 nan 8.190 nan 0.000 0.423 301 E N 3.100 123.274 120.200 -0.042 0.000 2.212 301 E HA 0.718 5.068 4.350 -0.000 0.000 0.268 301 E C -0.733 175.904 176.600 0.062 0.000 0.902 301 E CA -0.757 55.639 56.400 -0.006 0.000 0.779 301 E CB 2.262 31.940 29.700 -0.037 0.000 1.172 301 E HN 0.877 nan 8.360 nan 0.000 0.409 302 E N 0.488 120.752 120.200 0.107 0.000 2.393 302 E HA 0.872 5.222 4.350 -0.000 0.000 0.273 302 E C -1.415 175.202 176.600 0.028 0.000 0.918 302 E CA -1.618 54.889 56.400 0.179 0.000 0.773 302 E CB 2.023 31.980 29.700 0.429 0.000 1.275 302 E HN 0.411 nan 8.360 nan 0.000 0.451 303 A N 1.991 124.717 122.820 -0.157 0.000 2.488 303 A HA 0.573 4.893 4.320 -0.000 0.000 0.295 303 A C -2.758 174.211 177.584 -1.024 0.000 1.045 303 A CA -1.332 50.451 52.037 -0.423 0.000 0.703 303 A CB 1.542 20.409 19.000 -0.221 0.000 1.271 303 A HN 0.543 nan 8.150 nan 0.000 0.400 304 P HA 0.216 nan 4.420 nan 0.000 0.333 304 P C 0.277 177.302 177.300 -0.457 0.000 1.343 304 P CA -0.132 62.542 63.100 -0.711 0.000 0.761 304 P CB 0.671 32.088 31.700 -0.472 0.000 1.701 305 S N -0.601 115.096 115.700 -0.005 0.000 2.451 305 S HA 0.398 4.868 4.470 -0.000 0.000 0.301 305 S C -1.864 173.017 174.600 0.468 0.000 1.116 305 S CA -1.943 56.420 58.200 0.270 0.000 1.093 305 S CB 0.243 63.555 63.200 0.186 0.000 1.017 305 S HN 0.127 nan 8.310 nan 0.000 0.482 306 P HA 0.029 nan 4.420 nan 0.000 0.236 306 P C 0.299 177.762 177.300 0.272 0.000 1.172 306 P CA 0.534 63.810 63.100 0.293 0.000 0.759 306 P CB 0.060 31.785 31.700 0.042 0.000 0.843 307 F N 0.711 120.731 119.950 0.116 0.000 2.403 307 F HA 0.219 4.746 4.527 0.000 0.000 0.263 307 F C 0.413 176.258 175.800 0.074 0.000 1.020 307 F CA -0.418 57.628 58.000 0.077 0.000 1.091 307 F CB -0.903 38.142 39.000 0.074 0.000 1.141 307 F HN -0.353 nan 8.300 nan 0.000 0.633 308 L N 2.262 123.524 121.223 0.066 0.000 2.525 308 L HA 0.220 4.560 4.340 -0.000 0.000 0.278 308 L C -0.453 176.388 176.870 -0.047 0.000 1.218 308 L CA -0.830 53.961 54.840 -0.082 0.000 0.878 308 L CB -0.709 41.387 42.059 0.062 0.000 1.127 308 L HN 0.400 nan 8.230 nan 0.000 0.492 309 D N 0.894 121.242 120.400 -0.088 0.000 2.506 309 D HA 0.199 4.839 4.640 -0.000 0.000 0.272 309 D C 0.716 177.005 176.300 -0.018 0.000 1.214 309 D CA -0.488 53.487 54.000 -0.042 0.000 1.067 309 D CB 0.390 41.154 40.800 -0.060 0.000 1.117 309 D HN 0.554 nan 8.370 nan 0.000 0.578 310 E N -0.173 120.026 120.200 -0.003 0.000 2.065 310 E HA -0.286 4.064 4.350 -0.000 0.000 0.201 310 E C 2.020 178.622 176.600 0.003 0.000 1.016 310 E CA 1.921 58.326 56.400 0.007 0.000 0.818 310 E CB -0.869 28.840 29.700 0.015 0.000 0.749 310 E HN 0.599 nan 8.360 nan 0.000 0.453 311 A N 0.576 123.397 122.820 0.002 0.000 1.835 311 A HA -0.197 4.123 4.320 -0.000 0.000 0.215 311 A C 2.480 180.068 177.584 0.008 0.000 1.199 311 A CA 2.743 54.785 52.037 0.009 0.000 0.615 311 A CB -1.269 17.737 19.000 0.010 0.000 0.838 311 A HN 0.376 nan 8.150 nan 0.000 0.444 312 T N -1.377 113.182 114.554 0.009 0.000 2.897 312 T HA -0.189 4.161 4.350 -0.000 0.000 0.271 312 T C 1.976 176.644 174.700 -0.053 0.000 1.084 312 T CA 1.868 63.987 62.100 0.032 0.000 1.123 312 T CB -0.348 68.545 68.868 0.043 0.000 0.865 312 T HN 0.542 nan 8.240 nan 0.000 0.496 313 R N -0.035 120.428 120.500 -0.062 0.000 2.055 313 R HA 0.107 4.447 4.340 -0.000 0.000 0.228 313 R C 2.746 178.939 176.300 -0.178 0.000 1.143 313 R CA 1.207 57.242 56.100 -0.108 0.000 0.945 313 R CB -0.155 30.116 30.300 -0.048 0.000 0.841 313 R HN 0.318 nan 8.270 nan 0.000 0.429 314 R N 0.204 120.645 120.500 -0.098 0.000 2.127 314 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 314 R C 2.322 178.512 176.300 -0.183 0.000 1.134 314 R CA 1.262 57.291 56.100 -0.117 0.000 0.975 314 R CB -0.448 29.866 30.300 0.025 0.000 0.865 314 R HN 0.328 nan 8.270 nan 0.000 0.447 315 A N 1.448 124.207 122.820 -0.102 0.000 1.859 315 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 315 A C 2.215 179.684 177.584 -0.193 0.000 1.198 315 A CA 1.819 53.842 52.037 -0.024 0.000 0.629 315 A CB -0.529 18.567 19.000 0.160 0.000 0.830 315 A HN 0.202 nan 8.150 nan 0.000 0.446 316 M N -0.622 118.655 119.600 -0.537 0.000 2.159 316 M HA -0.057 4.423 4.480 -0.000 0.000 0.263 316 M C 2.311 178.386 176.300 -0.375 0.000 1.063 316 M CA 1.365 56.302 55.300 -0.606 0.000 1.110 316 M CB -0.673 31.576 32.600 -0.586 0.000 1.374 316 M HN 0.504 nan 8.290 nan 0.000 0.411 317 G N 0.502 108.940 108.800 -0.603 0.000 2.433 317 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 317 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 317 G C 1.329 175.650 174.900 -0.966 0.000 1.186 317 G CA 0.842 45.236 45.100 -1.177 0.000 0.779 317 G HN 0.491 nan 8.290 nan 0.000 0.543 318 E N -0.135 119.742 120.200 -0.539 0.000 2.085 318 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 318 E C 2.448 179.033 176.600 -0.024 0.000 0.994 318 E CA 1.208 57.551 56.400 -0.095 0.000 0.801 318 E CB -0.155 29.551 29.700 0.009 0.000 0.743 318 E HN 0.610 nan 8.360 nan 0.000 0.453 319 Q N 0.447 120.238 119.800 -0.016 0.000 2.172 319 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 319 Q C 2.044 178.110 176.000 0.110 0.000 0.964 319 Q CA 1.049 56.900 55.803 0.080 0.000 0.855 319 Q CB -0.032 28.812 28.738 0.176 0.000 0.918 319 Q HN 0.246 nan 8.270 nan 0.000 0.444 320 A N 0.429 123.288 122.820 0.065 0.000 1.841 320 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 320 A C 2.179 179.794 177.584 0.052 0.000 1.199 320 A CA 1.674 53.753 52.037 0.071 0.000 0.621 320 A CB -1.417 17.489 19.000 -0.156 0.000 0.835 320 A HN 0.380 nan 8.150 nan 0.000 0.445 321 V N -0.060 119.882 119.914 0.047 0.000 2.392 321 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 321 V C 2.664 178.802 176.094 0.073 0.000 1.059 321 V CA 2.512 64.865 62.300 0.089 0.000 1.051 321 V CB -1.008 30.929 31.823 0.191 0.000 0.658 321 V HN 0.661 nan 8.190 nan 0.000 0.455 322 A N 0.264 123.126 122.820 0.071 0.000 1.851 322 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 322 A C 2.194 179.807 177.584 0.049 0.000 1.195 322 A CA 2.256 54.327 52.037 0.058 0.000 0.622 322 A CB -0.976 18.055 19.000 0.052 0.000 0.831 322 A HN 0.720 nan 8.150 nan 0.000 0.444 323 L N -0.132 121.121 121.223 0.051 0.000 2.129 323 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 323 L C 2.467 179.370 176.870 0.054 0.000 1.087 323 L CA 2.082 56.944 54.840 0.036 0.000 0.757 323 L CB -0.964 41.123 42.059 0.047 0.000 0.896 323 L HN 0.428 nan 8.230 nan 0.000 0.434 324 A N 0.282 123.136 122.820 0.056 0.000 1.844 324 A HA -0.324 3.996 4.320 -0.000 0.000 0.214 324 A C 2.216 179.853 177.584 0.088 0.000 1.217 324 A CA 2.547 54.617 52.037 0.055 0.000 0.644 324 A CB -0.901 18.112 19.000 0.022 0.000 0.850 324 A HN 0.536 nan 8.150 nan 0.000 0.456 325 K N -0.357 120.087 120.400 0.074 0.000 2.071 325 K HA -0.256 4.064 4.320 -0.000 0.000 0.217 325 K C 2.084 178.722 176.600 0.062 0.000 1.054 325 K CA 1.657 57.985 56.287 0.070 0.000 0.937 325 K CB -0.648 31.885 32.500 0.054 0.000 0.719 325 K HN 0.540 nan 8.250 nan 0.000 0.454 326 A N 0.745 123.595 122.820 0.050 0.000 2.171 326 A HA -0.183 4.137 4.320 -0.000 0.000 0.223 326 A C 2.136 179.745 177.584 0.042 0.000 1.166 326 A CA 2.012 54.070 52.037 0.036 0.000 0.668 326 A CB -0.415 18.598 19.000 0.021 0.000 0.807 326 A HN 0.251 nan 8.150 nan 0.000 0.475 327 V N -2.087 117.867 119.914 0.068 0.000 3.432 327 V HA 0.471 4.591 4.120 -0.000 0.000 0.298 327 V C 1.029 177.162 176.094 0.067 0.000 1.464 327 V CA 1.179 63.523 62.300 0.072 0.000 1.046 327 V CB -0.298 31.590 31.823 0.108 0.000 0.887 327 V HN 1.521 nan 8.190 nan 0.000 0.441 328 G N 0.818 109.662 108.800 0.074 0.000 2.341 328 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.278 328 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.278 328 G C -0.404 174.534 174.900 0.063 0.000 1.111 328 G CA 0.408 45.538 45.100 0.050 0.000 0.982 328 G HN 0.679 nan 8.290 nan 0.000 0.502 329 Y N 0.432 120.735 120.300 0.004 0.000 2.308 329 Y HA 0.620 5.170 4.550 -0.000 0.000 0.329 329 Y C 1.065 176.961 175.900 -0.007 0.000 1.111 329 Y CA 0.424 58.528 58.100 0.006 0.000 1.179 329 Y CB 1.401 39.877 38.460 0.027 0.000 1.201 329 Y HN 0.380 nan 8.280 nan 0.000 0.483 330 A N 2.878 125.739 122.820 0.069 0.000 2.070 330 A HA 0.129 4.449 4.320 -0.000 0.000 0.221 330 A C 1.631 179.344 177.584 0.215 0.000 1.603 330 A CA 0.923 53.004 52.037 0.074 0.000 0.639 330 A CB -1.029 17.925 19.000 -0.076 0.000 1.235 330 A HN 0.703 nan 8.150 nan 0.000 0.518 331 S N -0.441 115.379 115.700 0.201 0.000 2.465 331 S HA 0.380 4.850 4.470 -0.000 0.000 0.215 331 S C 0.745 175.528 174.600 0.305 0.000 1.438 331 S CA 0.356 58.696 58.200 0.234 0.000 1.223 331 S CB -0.352 62.956 63.200 0.180 0.000 0.636 331 S HN 1.012 nan 8.310 nan 0.000 0.421 332 A N -0.556 122.415 122.820 0.251 0.000 2.324 332 A HA 0.741 5.061 4.320 -0.000 0.000 0.330 332 A C 0.072 177.699 177.584 0.072 0.000 1.165 332 A CA -0.065 52.028 52.037 0.094 0.000 0.813 332 A CB 1.107 20.136 19.000 0.048 0.000 1.197 332 A HN 0.853 nan 8.150 nan 0.000 0.484 333 G N -0.731 107.929 108.800 -0.234 0.000 2.684 333 G HA2 0.581 4.541 3.960 -0.000 0.000 0.290 333 G HA3 0.581 4.541 3.960 -0.000 0.000 0.290 333 G C -1.084 173.679 174.900 -0.228 0.000 1.425 333 G CA -0.099 44.816 45.100 -0.310 0.000 0.822 333 G HN 0.894 nan 8.290 nan 0.000 0.482 334 T N -0.613 113.863 114.554 -0.130 0.000 2.841 334 T HA 0.552 4.902 4.350 -0.000 0.000 0.283 334 T C -0.440 174.203 174.700 -0.096 0.000 1.000 334 T CA -0.395 61.641 62.100 -0.107 0.000 0.977 334 T CB 1.104 69.937 68.868 -0.058 0.000 0.979 334 T HN 1.371 nan 8.240 nan 0.000 0.446 335 V N 3.012 122.840 119.914 -0.144 0.000 2.313 335 V HA 0.628 4.748 4.120 -0.000 0.000 0.278 335 V C -0.100 175.836 176.094 -0.263 0.000 1.017 335 V CA -0.869 61.372 62.300 -0.098 0.000 0.823 335 V CB 0.848 32.666 31.823 -0.008 0.000 1.010 335 V HN 0.896 nan 8.190 nan 0.000 0.443 336 E N 5.393 125.482 120.200 -0.184 0.000 2.289 336 E HA 0.516 4.866 4.350 -0.000 0.000 0.278 336 E C -0.938 175.675 176.600 0.021 0.000 1.032 336 E CA -0.140 56.122 56.400 -0.231 0.000 0.854 336 E CB 1.464 30.998 29.700 -0.276 0.000 1.046 336 E HN 0.740 nan 8.360 nan 0.000 0.409 337 F N 1.392 121.199 119.950 -0.238 0.000 2.572 337 F HA 0.506 5.033 4.527 -0.000 0.000 0.342 337 F C 0.133 175.862 175.800 -0.118 0.000 1.064 337 F CA -1.453 56.491 58.000 -0.093 0.000 1.008 337 F CB 1.245 40.239 39.000 -0.009 0.000 1.303 337 F HN 0.242 nan 8.300 nan 0.000 0.492 338 I N 1.777 122.474 120.570 0.211 0.000 2.714 338 I HA 0.186 4.356 4.170 -0.000 0.000 0.276 338 I C -0.348 175.891 176.117 0.203 0.000 1.196 338 I CA -0.123 61.266 61.300 0.148 0.000 1.068 338 I CB 0.878 38.954 38.000 0.127 0.000 1.291 338 I HN 0.084 nan 8.210 nan 0.000 0.530 339 V N 4.377 124.399 119.914 0.180 0.000 2.963 339 V HA 0.179 4.299 4.120 -0.000 0.000 0.306 339 V C 0.443 176.617 176.094 0.134 0.000 1.077 339 V CA 0.049 62.455 62.300 0.177 0.000 1.124 339 V CB 0.901 32.880 31.823 0.260 0.000 0.987 339 V HN 0.804 nan 8.190 nan 0.000 0.487 340 D N 2.362 122.854 120.400 0.154 0.000 2.658 340 D HA 0.346 4.986 4.640 -0.000 0.000 0.243 340 D C 1.286 177.684 176.300 0.163 0.000 1.159 340 D CA 0.127 54.205 54.000 0.130 0.000 1.084 340 D CB 0.510 41.414 40.800 0.174 0.000 1.227 340 D HN 0.475 nan 8.370 nan 0.000 0.636 341 G N -1.387 107.516 108.800 0.173 0.000 2.509 341 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.218 341 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.218 341 G C 0.734 175.836 174.900 0.336 0.000 1.124 341 G CA 0.498 45.744 45.100 0.243 0.000 0.776 341 G HN 0.333 nan 8.290 nan 0.000 0.547 342 Q N -0.267 119.681 119.800 0.247 0.000 2.189 342 Q HA 0.278 4.618 4.340 -0.000 0.000 0.221 342 Q C 0.396 176.475 176.000 0.132 0.000 0.848 342 Q CA -0.220 55.681 55.803 0.162 0.000 1.007 342 Q CB 0.498 29.285 28.738 0.081 0.000 1.116 342 Q HN 0.508 nan 8.270 nan 0.000 0.481 343 K N 0.313 120.870 120.400 0.261 0.000 3.407 343 K HA -0.135 4.185 4.320 -0.000 0.000 0.312 343 K C -0.114 176.561 176.600 0.125 0.000 1.302 343 K CA 0.320 56.732 56.287 0.209 0.000 0.931 343 K CB -0.959 31.543 32.500 0.003 0.000 1.257 343 K HN 0.237 nan 8.250 nan 0.000 0.454 344 N N 1.368 120.083 118.700 0.024 0.000 2.406 344 N HA 0.076 4.816 4.740 -0.000 0.000 0.265 344 N C -0.386 174.844 175.510 -0.467 0.000 1.203 344 N CA 0.390 53.293 53.050 -0.246 0.000 0.945 344 N CB 0.174 38.559 38.487 -0.171 0.000 1.165 344 N HN 0.131 nan 8.380 nan 0.000 0.485 345 F N 2.736 122.352 119.950 -0.557 0.000 2.397 345 F HA 0.567 5.094 4.527 -0.000 0.000 0.331 345 F C -0.508 174.703 175.800 -0.981 0.000 1.090 345 F CA -0.822 56.830 58.000 -0.580 0.000 1.065 345 F CB 0.529 39.400 39.000 -0.214 0.000 1.184 345 F HN 0.278 nan 8.300 nan 0.000 0.499 346 Y N 1.220 121.527 120.300 0.011 0.000 3.224 346 Y HA 0.649 5.199 4.550 0.000 0.000 0.301 346 Y C -1.208 174.609 175.900 -0.138 0.000 1.663 346 Y CA -1.035 57.003 58.100 -0.104 0.000 0.995 346 Y CB 1.243 39.675 38.460 -0.047 0.000 1.381 346 Y HN 0.642 nan 8.280 nan 0.000 0.643 347 F N 0.995 120.961 119.950 0.027 0.000 2.689 347 F HA 0.367 4.894 4.527 0.000 0.000 0.332 347 F C -1.176 174.681 175.800 0.096 0.000 1.209 347 F CA -0.806 57.209 58.000 0.025 0.000 1.028 347 F CB 0.968 39.943 39.000 -0.042 0.000 1.291 347 F HN 0.409 nan 8.300 nan 0.000 0.500 348 L N 3.802 124.750 121.223 -0.458 0.000 2.200 348 L HA 0.323 4.663 4.340 -0.000 0.000 0.200 348 L C -0.069 176.368 176.870 -0.722 0.000 1.072 348 L CA 1.188 55.793 54.840 -0.392 0.000 0.787 348 L CB 0.100 42.028 42.059 -0.219 0.000 0.957 348 L HN 0.838 nan 8.230 nan 0.000 0.459 349 E N -1.517 118.042 120.200 -1.069 0.000 2.421 349 E HA 0.191 4.541 4.350 -0.000 0.000 0.276 349 E C -1.175 175.200 176.600 -0.375 0.000 1.154 349 E CA -0.760 55.189 56.400 -0.751 0.000 0.883 349 E CB 1.006 30.575 29.700 -0.218 0.000 1.429 349 E HN -0.016 nan 8.360 nan 0.000 0.436 350 M N 1.538 121.139 119.600 0.001 0.000 2.393 350 M HA 0.472 4.952 4.480 -0.000 0.000 0.316 350 M C -1.793 174.566 176.300 0.099 0.000 1.087 350 M CA -0.738 54.622 55.300 0.100 0.000 0.937 350 M CB 1.779 34.522 32.600 0.239 0.000 1.668 350 M HN 0.505 nan 8.290 nan 0.000 0.438 351 N N 3.063 121.811 118.700 0.080 0.000 2.444 351 N HA 0.251 4.991 4.740 -0.000 0.000 0.262 351 N C -0.817 174.806 175.510 0.190 0.000 0.974 351 N CA -0.161 52.953 53.050 0.107 0.000 0.933 351 N CB 1.755 40.278 38.487 0.060 0.000 1.137 351 N HN 0.626 nan 8.380 nan 0.000 0.498 352 T N 0.650 115.363 114.554 0.265 0.000 3.688 352 T HA 0.421 4.771 4.350 -0.000 0.000 0.307 352 T C 0.501 175.387 174.700 0.310 0.000 1.382 352 T CA -0.572 61.782 62.100 0.422 0.000 1.136 352 T CB -0.379 68.641 68.868 0.254 0.000 1.207 352 T HN 0.720 nan 8.240 nan 0.000 0.854 353 R N 0.380 121.067 120.500 0.311 0.000 3.000 353 R HA 0.398 4.738 4.340 -0.000 0.000 0.280 353 R C -1.890 174.519 176.300 0.180 0.000 0.950 353 R CA -1.269 54.976 56.100 0.242 0.000 0.822 353 R CB 0.294 30.722 30.300 0.213 0.000 1.445 353 R HN 0.224 nan 8.270 nan 0.000 0.492 354 L N 2.221 123.547 121.223 0.172 0.000 2.305 354 L HA 0.337 4.677 4.340 -0.000 0.000 0.281 354 L C -0.538 176.365 176.870 0.056 0.000 1.085 354 L CA -0.098 54.798 54.840 0.093 0.000 0.813 354 L CB 1.447 43.558 42.059 0.087 0.000 1.157 354 L HN 0.633 nan 8.230 nan 0.000 0.436 355 Q N 3.247 123.050 119.800 0.005 0.000 2.293 355 Q HA 0.133 4.473 4.340 -0.000 0.000 0.251 355 Q C 1.141 177.147 176.000 0.011 0.000 0.930 355 Q CA -0.257 55.518 55.803 -0.046 0.000 0.893 355 Q CB 2.167 30.902 28.738 -0.006 0.000 1.215 355 Q HN 0.647 nan 8.270 nan 0.000 0.425 356 V N 2.282 122.052 119.914 -0.241 0.000 2.282 356 V HA -0.264 3.856 4.120 -0.000 0.000 0.249 356 V C 1.836 177.940 176.094 0.016 0.000 1.057 356 V CA 2.317 64.521 62.300 -0.159 0.000 1.032 356 V CB -0.464 31.179 31.823 -0.300 0.000 0.645 356 V HN 0.799 nan 8.190 nan 0.000 0.447 357 E N 1.319 121.498 120.200 -0.035 0.000 2.461 357 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 357 E C 1.632 178.207 176.600 -0.041 0.000 1.129 357 E CA 0.607 56.974 56.400 -0.055 0.000 0.902 357 E CB -0.856 28.811 29.700 -0.056 0.000 0.963 357 E HN 0.922 nan 8.360 nan 0.000 0.503 358 H N 0.271 119.321 119.070 -0.033 0.000 2.423 358 H HA 0.090 4.646 4.556 -0.000 0.000 0.297 358 H C -0.985 174.330 175.328 -0.021 0.000 1.075 358 H CA 0.459 56.494 56.048 -0.023 0.000 1.342 358 H CB -1.576 28.184 29.762 -0.002 0.000 1.395 358 H HN 0.127 nan 8.280 nan 0.000 0.530 359 P HA -0.181 nan 4.420 nan 0.000 0.218 359 P C 2.070 179.273 177.300 -0.162 0.000 1.152 359 P CA 1.926 64.786 63.100 -0.401 0.000 0.857 359 P CB -0.118 31.376 31.700 -0.344 0.000 0.787 360 V N -1.520 118.325 119.914 -0.114 0.000 2.295 360 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 360 V C 2.241 178.296 176.094 -0.064 0.000 1.049 360 V CA 2.590 64.857 62.300 -0.054 0.000 1.024 360 V CB -2.156 29.644 31.823 -0.039 0.000 0.648 360 V HN 0.153 nan 8.190 nan 0.000 0.447 361 T N 0.147 114.666 114.554 -0.057 0.000 2.652 361 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 361 T C 1.860 176.520 174.700 -0.066 0.000 1.039 361 T CA 2.072 64.140 62.100 -0.053 0.000 1.153 361 T CB -0.373 68.490 68.868 -0.010 0.000 0.863 361 T HN 0.641 nan 8.240 nan 0.000 0.428 362 E N 0.762 120.932 120.200 -0.050 0.000 2.130 362 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 362 E C 1.826 178.334 176.600 -0.153 0.000 0.998 362 E CA 0.870 57.227 56.400 -0.071 0.000 0.806 362 E CB -0.320 29.358 29.700 -0.035 0.000 0.738 362 E HN 0.445 nan 8.360 nan 0.000 0.459 363 L N 0.973 122.097 121.223 -0.165 0.000 2.650 363 L HA 0.041 4.381 4.340 -0.000 0.000 0.235 363 L C 1.869 178.479 176.870 -0.434 0.000 1.149 363 L CA 0.255 54.915 54.840 -0.301 0.000 0.887 363 L CB -0.224 41.759 42.059 -0.126 0.000 1.021 363 L HN 0.292 nan 8.230 nan 0.000 0.441 364 I N -6.292 114.125 120.570 -0.255 0.000 4.922 364 I HA 0.059 4.229 4.170 -0.000 0.000 0.331 364 I C 2.021 178.043 176.117 -0.160 0.000 1.260 364 I CA 0.477 61.670 61.300 -0.178 0.000 1.366 364 I CB -0.041 37.928 38.000 -0.053 0.000 1.386 364 I HN -0.021 nan 8.210 nan 0.000 0.483 365 T N -0.921 113.544 114.554 -0.147 0.000 2.894 365 T HA 0.295 4.645 4.350 -0.000 0.000 0.258 365 T C 1.640 176.264 174.700 -0.125 0.000 1.043 365 T CA 0.931 62.964 62.100 -0.113 0.000 1.141 365 T CB -0.339 68.477 68.868 -0.087 0.000 0.873 365 T HN 0.890 nan 8.240 nan 0.000 0.449 366 G N 0.655 109.361 108.800 -0.156 0.000 2.255 366 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.239 366 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.239 366 G C -0.247 174.595 174.900 -0.097 0.000 1.083 366 G CA -0.207 44.804 45.100 -0.149 0.000 0.826 366 G HN 0.836 nan 8.290 nan 0.000 0.493 367 V N -0.664 119.203 119.914 -0.078 0.000 3.078 367 V HA 0.722 4.842 4.120 -0.000 0.000 0.311 367 V C -0.876 175.209 176.094 -0.016 0.000 1.138 367 V CA -0.831 61.443 62.300 -0.043 0.000 1.007 367 V CB 2.227 34.029 31.823 -0.035 0.000 1.045 367 V HN 0.316 nan 8.190 nan 0.000 0.432 368 D N 1.924 122.326 120.400 0.003 0.000 2.477 368 D HA 0.367 5.007 4.640 -0.000 0.000 0.239 368 D C 0.999 177.322 176.300 0.039 0.000 1.102 368 D CA -0.286 53.733 54.000 0.030 0.000 0.901 368 D CB 1.132 41.946 40.800 0.023 0.000 1.026 368 D HN 0.461 nan 8.370 nan 0.000 0.515 369 L N 2.441 123.695 121.223 0.052 0.000 2.129 369 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 369 L C 2.081 178.960 176.870 0.014 0.000 1.087 369 L CA 0.881 55.733 54.840 0.019 0.000 0.757 369 L CB -0.222 41.826 42.059 -0.019 0.000 0.896 369 L HN 0.342 nan 8.230 nan 0.000 0.434 370 V N -0.677 119.247 119.914 0.018 0.000 2.719 370 V HA -0.200 3.920 4.120 -0.000 0.000 0.252 370 V C 2.313 178.449 176.094 0.070 0.000 1.065 370 V CA 1.533 63.862 62.300 0.048 0.000 1.086 370 V CB -0.425 31.415 31.823 0.028 0.000 0.700 370 V HN 0.500 nan 8.190 nan 0.000 0.467 371 E N 0.675 120.907 120.200 0.055 0.000 1.998 371 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 371 E C 2.266 178.906 176.600 0.066 0.000 0.994 371 E CA 1.395 57.829 56.400 0.057 0.000 0.835 371 E CB -0.213 29.510 29.700 0.037 0.000 0.786 371 E HN 0.542 nan 8.360 nan 0.000 0.467 372 Q N 0.102 119.933 119.800 0.052 0.000 2.242 372 Q HA -0.250 4.090 4.340 -0.000 0.000 0.211 372 Q C 2.207 178.248 176.000 0.068 0.000 0.992 372 Q CA 1.687 57.523 55.803 0.056 0.000 0.889 372 Q CB -0.566 28.196 28.738 0.040 0.000 0.913 372 Q HN 0.508 nan 8.270 nan 0.000 0.422 373 M N 0.284 119.924 119.600 0.066 0.000 2.080 373 M HA -0.160 4.320 4.480 -0.000 0.000 0.260 373 M C 2.301 178.638 176.300 0.062 0.000 1.068 373 M CA 1.581 56.920 55.300 0.065 0.000 1.109 373 M CB -0.280 32.364 32.600 0.073 0.000 1.342 373 M HN 0.313 nan 8.290 nan 0.000 0.405 374 I N -2.275 118.346 120.570 0.085 0.000 2.333 374 I HA -0.189 3.981 4.170 -0.000 0.000 0.246 374 I C 2.258 178.448 176.117 0.121 0.000 1.106 374 I CA 0.743 62.099 61.300 0.092 0.000 1.411 374 I CB -0.788 37.289 38.000 0.127 0.000 1.082 374 I HN 0.141 nan 8.210 nan 0.000 0.420 375 R N 2.067 122.658 120.500 0.151 0.000 2.136 375 R HA -0.187 4.153 4.340 -0.000 0.000 0.242 375 R C 2.611 179.008 176.300 0.161 0.000 1.131 375 R CA 2.339 58.554 56.100 0.192 0.000 0.937 375 R CB -1.493 28.889 30.300 0.136 0.000 0.863 375 R HN 0.612 nan 8.270 nan 0.000 0.435 376 V N -1.325 118.658 119.914 0.115 0.000 2.427 376 V HA 0.010 4.130 4.120 -0.000 0.000 0.248 376 V C 2.336 178.456 176.094 0.044 0.000 1.051 376 V CA 1.790 64.146 62.300 0.094 0.000 1.048 376 V CB -1.098 30.763 31.823 0.063 0.000 0.666 376 V HN 0.255 nan 8.190 nan 0.000 0.456 377 A N 0.545 123.383 122.820 0.031 0.000 2.225 377 A HA 0.450 4.770 4.320 -0.000 0.000 0.215 377 A C 1.655 179.227 177.584 -0.021 0.000 1.164 377 A CA 1.243 53.280 52.037 -0.000 0.000 0.710 377 A CB -0.765 18.235 19.000 -0.000 0.000 0.780 377 A HN 1.319 nan 8.150 nan 0.000 0.473 378 A N -0.214 122.607 122.820 0.002 0.000 3.165 378 A HA 0.534 4.854 4.320 -0.000 0.000 0.331 378 A C 0.914 178.540 177.584 0.070 0.000 1.034 378 A CA 0.091 52.092 52.037 -0.061 0.000 0.906 378 A CB -1.026 17.857 19.000 -0.194 0.000 1.054 378 A HN 1.589 nan 8.150 nan 0.000 0.484 379 G N 0.846 109.723 108.800 0.127 0.000 2.376 379 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.226 379 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.226 379 G C -0.134 174.995 174.900 0.383 0.000 0.268 379 G CA 1.290 46.610 45.100 0.368 0.000 1.066 379 G HN 0.918 nan 8.290 nan 0.000 0.474 380 E N 2.630 123.186 120.200 0.593 0.000 2.390 380 E HA 0.516 4.866 4.350 -0.000 0.000 0.280 380 E C -2.580 174.180 176.600 0.266 0.000 0.992 380 E CA -1.840 54.701 56.400 0.236 0.000 0.790 380 E CB 2.697 32.517 29.700 0.199 0.000 1.248 380 E HN 0.301 nan 8.360 nan 0.000 0.447 381 P HA 0.305 nan 4.420 nan 0.000 0.302 381 P C -0.704 176.648 177.300 0.087 0.000 1.307 381 P CA -0.505 62.655 63.100 0.101 0.000 0.754 381 P CB 0.921 32.632 31.700 0.017 0.000 1.298 382 L N 0.781 122.039 121.223 0.058 0.000 2.298 382 L HA 0.195 4.535 4.340 -0.000 0.000 0.284 382 L C 1.849 178.728 176.870 0.014 0.000 1.013 382 L CA -0.410 54.451 54.840 0.036 0.000 0.824 382 L CB 1.352 43.426 42.059 0.024 0.000 1.221 382 L HN 0.419 nan 8.230 nan 0.000 0.418 383 S N 3.594 119.300 115.700 0.009 0.000 2.440 383 S HA -0.098 4.372 4.470 -0.000 0.000 0.240 383 S C 0.632 175.224 174.600 -0.013 0.000 1.014 383 S CA 0.632 58.830 58.200 -0.003 0.000 0.980 383 S CB -0.567 62.630 63.200 -0.006 0.000 0.775 383 S HN 0.616 nan 8.310 nan 0.000 0.499 384 I N -0.756 119.802 120.570 -0.019 0.000 2.689 384 I HA 0.684 4.854 4.170 -0.000 0.000 0.299 384 I C -0.231 175.861 176.117 -0.041 0.000 1.059 384 I CA -1.054 60.227 61.300 -0.032 0.000 1.055 384 I CB 2.271 40.246 38.000 -0.042 0.000 1.243 384 I HN 0.060 nan 8.210 nan 0.000 0.425 385 T N 0.336 114.862 114.554 -0.047 0.000 2.897 385 T HA 0.306 4.656 4.350 -0.000 0.000 0.278 385 T C 0.787 175.431 174.700 -0.093 0.000 0.981 385 T CA -0.606 61.460 62.100 -0.056 0.000 0.973 385 T CB 1.467 70.311 68.868 -0.039 0.000 1.092 385 T HN 0.688 nan 8.240 nan 0.000 0.543 386 Q N 0.262 119.992 119.800 -0.116 0.000 2.181 386 Q HA -0.051 4.289 4.340 -0.000 0.000 0.205 386 Q C 2.386 178.305 176.000 -0.135 0.000 0.980 386 Q CA 1.877 57.567 55.803 -0.189 0.000 0.862 386 Q CB -0.977 27.649 28.738 -0.188 0.000 0.905 386 Q HN 0.982 nan 8.270 nan 0.000 0.429 387 G N 0.978 109.732 108.800 -0.077 0.000 2.471 387 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 387 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 387 G C 0.794 175.663 174.900 -0.052 0.000 1.125 387 G CA 0.757 45.827 45.100 -0.050 0.000 0.775 387 G HN 0.276 nan 8.290 nan 0.000 0.548 388 D N 0.587 120.950 120.400 -0.062 0.000 2.146 388 D HA -0.034 4.606 4.640 -0.000 0.000 0.209 388 D C 1.623 177.882 176.300 -0.069 0.000 0.973 388 D CA 0.152 54.119 54.000 -0.056 0.000 0.860 388 D CB -0.919 39.850 40.800 -0.051 0.000 1.015 388 D HN 0.031 nan 8.370 nan 0.000 0.465 389 V N 2.753 122.608 119.914 -0.098 0.000 2.841 389 V HA -0.128 3.991 4.120 -0.000 0.000 0.252 389 V C 0.835 176.873 176.094 -0.093 0.000 0.951 389 V CA 0.426 62.658 62.300 -0.113 0.000 1.170 389 V CB -1.088 30.627 31.823 -0.181 0.000 0.936 389 V HN 0.066 nan 8.190 nan 0.000 0.473 390 K N 5.043 125.404 120.400 -0.065 0.000 2.098 390 K HA 0.550 4.870 4.320 -0.000 0.000 0.258 390 K C -0.641 175.933 176.600 -0.044 0.000 0.973 390 K CA -0.750 55.511 56.287 -0.043 0.000 0.898 390 K CB 1.622 34.107 32.500 -0.025 0.000 1.057 390 K HN 0.557 nan 8.250 nan 0.000 0.447 391 L N 3.718 124.925 121.223 -0.026 0.000 2.337 391 L HA 0.299 4.639 4.340 -0.000 0.000 0.269 391 L C -0.156 176.723 176.870 0.015 0.000 1.018 391 L CA -0.689 54.132 54.840 -0.031 0.000 0.876 391 L CB 1.467 43.497 42.059 -0.049 0.000 1.236 391 L HN 0.507 nan 8.230 nan 0.000 0.436 392 T N 0.865 115.450 114.554 0.051 0.000 2.907 392 T HA 0.603 4.953 4.350 -0.000 0.000 0.284 392 T C 0.795 175.747 174.700 0.421 0.000 1.004 392 T CA 0.171 62.379 62.100 0.180 0.000 1.063 392 T CB 1.835 70.814 68.868 0.185 0.000 0.992 392 T HN 0.852 nan 8.240 nan 0.000 0.483 393 G N 1.000 110.032 108.800 0.386 0.000 2.625 393 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.311 393 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.311 393 G C -0.803 174.276 174.900 0.298 0.000 1.324 393 G CA -0.129 45.151 45.100 0.300 0.000 0.918 393 G HN 0.716 nan 8.290 nan 0.000 0.556 394 W N -0.646 120.650 121.300 -0.008 0.000 2.647 394 W HA 0.710 5.370 4.660 0.000 0.000 0.353 394 W C 0.362 177.001 176.519 0.199 0.000 1.080 394 W CA 0.350 57.744 57.345 0.081 0.000 1.208 394 W CB 2.198 31.636 29.460 -0.037 0.000 1.396 394 W HN 1.102 nan 8.180 nan 0.000 0.573 395 A N 2.465 125.501 122.820 0.359 0.000 2.455 395 A HA 0.818 5.138 4.320 -0.000 0.000 0.300 395 A C -1.828 175.923 177.584 0.278 0.000 1.040 395 A CA -0.533 51.691 52.037 0.313 0.000 0.697 395 A CB 0.895 20.024 19.000 0.216 0.000 1.265 395 A HN 0.408 nan 8.150 nan 0.000 0.407 396 I N 0.827 121.536 120.570 0.232 0.000 2.608 396 I HA 0.522 4.692 4.170 -0.000 0.000 0.295 396 I C -0.117 176.064 176.117 0.106 0.000 1.049 396 I CA -0.143 61.278 61.300 0.201 0.000 1.063 396 I CB 2.244 40.379 38.000 0.226 0.000 1.248 396 I HN 0.739 nan 8.210 nan 0.000 0.424 397 E N 4.880 125.113 120.200 0.054 0.000 2.244 397 E HA 0.425 4.775 4.350 -0.000 0.000 0.260 397 E C -1.422 175.144 176.600 -0.056 0.000 0.884 397 E CA -0.681 55.715 56.400 -0.007 0.000 0.777 397 E CB 0.980 30.660 29.700 -0.034 0.000 1.197 397 E HN 0.508 nan 8.360 nan 0.000 0.416 398 N N 2.728 121.382 118.700 -0.078 0.000 2.466 398 N HA 0.404 5.144 4.740 -0.000 0.000 0.294 398 N C -0.853 174.553 175.510 -0.174 0.000 1.129 398 N CA -0.418 52.553 53.050 -0.131 0.000 0.931 398 N CB 1.297 39.700 38.487 -0.139 0.000 1.193 398 N HN 0.387 nan 8.380 nan 0.000 0.500 399 R N 0.869 121.224 120.500 -0.242 0.000 2.338 399 R HA 0.395 4.735 4.340 -0.000 0.000 0.317 399 R C -0.407 175.631 176.300 -0.438 0.000 0.968 399 R CA -0.665 55.190 56.100 -0.407 0.000 0.849 399 R CB 1.528 31.433 30.300 -0.658 0.000 1.128 399 R HN 0.356 nan 8.270 nan 0.000 0.448 400 L N 4.824 125.816 121.223 -0.385 0.000 2.295 400 L HA 0.295 4.635 4.340 -0.000 0.000 0.288 400 L C -0.881 175.869 176.870 -0.200 0.000 1.079 400 L CA -0.217 54.445 54.840 -0.296 0.000 0.830 400 L CB 0.168 42.010 42.059 -0.362 0.000 1.200 400 L HN 0.579 nan 8.230 nan 0.000 0.438 401 Y N 2.139 122.435 120.300 -0.007 0.000 2.342 401 Y HA 0.343 4.893 4.550 -0.000 0.000 0.334 401 Y C 0.758 176.684 175.900 0.044 0.000 1.067 401 Y CA -1.148 56.968 58.100 0.026 0.000 1.128 401 Y CB 1.809 40.299 38.460 0.051 0.000 1.200 401 Y HN 0.621 nan 8.280 nan 0.000 0.464 402 A N 4.384 127.358 122.820 0.256 0.000 3.063 402 A HA 0.233 4.553 4.320 -0.000 0.000 0.263 402 A C -0.261 177.391 177.584 0.114 0.000 1.736 402 A CA 0.015 52.155 52.037 0.171 0.000 1.408 402 A CB -0.680 18.407 19.000 0.145 0.000 1.108 402 A HN 0.807 nan 8.150 nan 0.000 0.621 403 E N 0.286 120.536 120.200 0.083 0.000 2.317 403 E HA 0.232 4.582 4.350 -0.000 0.000 0.270 403 E C -1.614 174.899 176.600 -0.144 0.000 0.885 403 E CA -0.818 55.579 56.400 -0.005 0.000 0.760 403 E CB 1.877 31.601 29.700 0.041 0.000 1.227 403 E HN 0.359 nan 8.360 nan 0.000 0.434 404 D N 3.316 123.609 120.400 -0.178 0.000 2.467 404 D HA 0.198 4.838 4.640 -0.000 0.000 0.220 404 D C -1.945 174.066 176.300 -0.482 0.000 1.103 404 D CA -2.452 51.401 54.000 -0.245 0.000 0.886 404 D CB 1.340 42.093 40.800 -0.079 0.000 1.025 404 D HN 0.041 nan 8.370 nan 0.000 0.514 405 P HA -0.174 nan 4.420 nan 0.000 0.217 405 P C 0.804 177.804 177.300 -0.500 0.000 1.151 405 P CA 1.274 63.615 63.100 -1.266 0.000 0.849 405 P CB -0.012 31.029 31.700 -1.097 0.000 0.787 406 Y N -1.011 119.220 120.300 -0.115 0.000 2.421 406 Y HA -0.060 4.490 4.550 0.000 0.000 0.292 406 Y C 1.226 177.102 175.900 -0.040 0.000 1.136 406 Y CA 0.689 58.759 58.100 -0.051 0.000 1.255 406 Y CB -0.279 38.145 38.460 -0.061 0.000 0.991 406 Y HN -0.171 nan 8.280 nan 0.000 0.552 407 R N 0.174 120.712 120.500 0.063 0.000 2.983 407 R HA 0.292 4.632 4.340 -0.000 0.000 0.300 407 R C 0.399 176.731 176.300 0.052 0.000 1.367 407 R CA -0.016 56.116 56.100 0.054 0.000 1.564 407 R CB 0.569 30.894 30.300 0.041 0.000 1.314 407 R HN 0.242 nan 8.270 nan 0.000 0.622 408 G N 2.098 110.956 108.800 0.097 0.000 2.386 408 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.295 408 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.295 408 G C 0.248 175.286 174.900 0.231 0.000 0.979 408 G CA 0.243 45.445 45.100 0.171 0.000 1.193 408 G HN 0.535 nan 8.290 nan 0.000 0.508 412 P HA 0.299 nan 4.420 nan 0.000 0.271 412 P C -1.293 176.025 177.300 0.029 0.000 1.244 412 P CA -0.071 63.040 63.100 0.017 0.000 0.793 412 P CB 0.769 32.475 31.700 0.010 0.000 0.984 413 S N 0.447 116.175 115.700 0.046 0.000 2.536 413 S HA 0.730 5.200 4.470 -0.000 0.000 0.298 413 S C -1.148 173.495 174.600 0.073 0.000 1.083 413 S CA -0.504 57.729 58.200 0.056 0.000 0.995 413 S CB 0.226 63.464 63.200 0.064 0.000 1.058 413 S HN 0.254 nan 8.310 nan 0.000 0.488 414 I N 2.624 123.238 120.570 0.073 0.000 2.582 414 I HA 0.857 5.027 4.170 -0.000 0.000 0.292 414 I C 0.061 176.230 176.117 0.086 0.000 1.066 414 I CA 0.566 61.917 61.300 0.086 0.000 1.053 414 I CB 1.510 39.559 38.000 0.083 0.000 1.241 414 I HN 0.897 nan 8.210 nan 0.000 0.421 415 G N 5.442 114.298 108.800 0.094 0.000 2.356 415 G HA2 0.236 4.196 3.960 -0.000 0.000 0.288 415 G HA3 0.236 4.196 3.960 -0.000 0.000 0.288 415 G C -1.696 173.259 174.900 0.091 0.000 1.302 415 G CA -1.129 44.024 45.100 0.088 0.000 0.887 415 G HN 0.657 nan 8.290 nan 0.000 0.521 416 R N -0.644 119.908 120.500 0.088 0.000 2.500 416 R HA 0.690 5.030 4.340 -0.000 0.000 0.277 416 R C -0.120 176.242 176.300 0.104 0.000 1.026 416 R CA -0.699 55.456 56.100 0.091 0.000 1.058 416 R CB 0.693 31.042 30.300 0.081 0.000 1.078 416 R HN 0.384 nan 8.270 nan 0.000 0.509 417 L N 4.282 125.572 121.223 0.112 0.000 2.282 417 L HA 0.178 4.518 4.340 -0.000 0.000 0.287 417 L C 0.965 177.919 176.870 0.140 0.000 1.075 417 L CA -0.340 54.585 54.840 0.141 0.000 0.839 417 L CB 1.371 43.513 42.059 0.138 0.000 1.219 417 L HN 0.906 nan 8.230 nan 0.000 0.434 418 T N 1.453 116.085 114.554 0.131 0.000 2.612 418 T HA -0.020 4.330 4.350 -0.000 0.000 0.259 418 T C 1.072 175.842 174.700 0.116 0.000 1.065 418 T CA 0.977 63.141 62.100 0.106 0.000 1.167 418 T CB 0.079 69.006 68.868 0.098 0.000 0.863 418 T HN 0.323 nan 8.240 nan 0.000 0.407 419 R N 0.534 121.115 120.500 0.135 0.000 2.460 419 R HA 0.413 4.753 4.340 -0.000 0.000 0.303 419 R C -1.799 174.621 176.300 0.199 0.000 0.968 419 R CA -0.518 55.657 56.100 0.124 0.000 0.889 419 R CB 1.285 31.638 30.300 0.089 0.000 1.123 419 R HN 0.389 nan 8.270 nan 0.000 0.455 420 Y N 3.778 124.112 120.300 0.056 0.000 2.359 420 Y HA 0.319 4.869 4.550 -0.000 0.000 0.336 420 Y C -1.169 174.724 175.900 -0.012 0.000 1.098 420 Y CA -0.686 57.458 58.100 0.073 0.000 1.272 420 Y CB 0.532 39.059 38.460 0.111 0.000 1.112 420 Y HN 0.432 nan 8.280 nan 0.000 0.481 421 R N 4.268 124.451 120.500 -0.528 0.000 2.744 421 R HA 0.465 4.805 4.340 -0.000 0.000 0.279 421 R C -0.509 175.286 176.300 -0.842 0.000 0.977 421 R CA -0.184 55.612 56.100 -0.506 0.000 0.906 421 R CB 1.715 31.868 30.300 -0.244 0.000 1.197 421 R HN 0.966 nan 8.270 nan 0.000 0.463 429 V N 0.869 120.858 119.914 0.126 0.000 2.655 429 V HA 0.718 4.838 4.120 -0.000 0.000 0.301 429 V C -0.305 175.828 176.094 0.066 0.000 1.082 429 V CA -0.361 61.992 62.300 0.087 0.000 0.899 429 V CB 1.791 33.646 31.823 0.054 0.000 1.014 429 V HN 1.086 nan 8.190 nan 0.000 0.429 430 R N 3.975 124.513 120.500 0.064 0.000 2.561 430 R HA 0.542 4.882 4.340 -0.000 0.000 0.297 430 R C -1.171 175.157 176.300 0.047 0.000 0.969 430 R CA -0.540 55.584 56.100 0.041 0.000 0.879 430 R CB 1.737 32.052 30.300 0.024 0.000 1.178 430 R HN 0.792 nan 8.270 nan 0.000 0.445 431 N N 3.582 122.311 118.700 0.047 0.000 2.540 431 N HA 0.143 4.883 4.740 -0.000 0.000 0.275 431 N C -1.599 173.954 175.510 0.071 0.000 1.053 431 N CA -0.532 52.567 53.050 0.082 0.000 0.876 431 N CB 1.376 39.925 38.487 0.104 0.000 1.284 431 N HN 0.573 nan 8.380 nan 0.000 0.518 432 D N 2.281 122.713 120.400 0.053 0.000 2.347 432 D HA 0.288 4.928 4.640 -0.000 0.000 0.235 432 D C -0.468 175.869 176.300 0.061 0.000 1.149 432 D CA 0.465 54.489 54.000 0.039 0.000 0.850 432 D CB 1.431 42.236 40.800 0.009 0.000 1.061 432 D HN 0.272 nan 8.370 nan 0.000 0.487 433 T N 0.533 115.130 114.554 0.071 0.000 2.893 433 T HA 0.624 4.974 4.350 -0.000 0.000 0.291 433 T C 1.021 175.721 174.700 0.001 0.000 1.028 433 T CA -0.927 61.218 62.100 0.076 0.000 0.995 433 T CB 1.963 70.939 68.868 0.180 0.000 1.051 433 T HN 0.289 nan 8.240 nan 0.000 0.470 434 G N 0.567 109.335 108.800 -0.054 0.000 3.651 434 G HA2 0.496 4.456 3.960 -0.000 0.000 0.279 434 G HA3 0.496 4.456 3.960 -0.000 0.000 0.279 434 G C -0.267 174.515 174.900 -0.197 0.000 1.024 434 G CA -0.035 45.001 45.100 -0.106 0.000 0.813 434 G HN 0.580 nan 8.290 nan 0.000 0.518 435 V N 0.293 120.068 119.914 -0.233 0.000 3.130 435 V HA 0.850 4.970 4.120 -0.000 0.000 0.310 435 V C -1.466 174.410 176.094 -0.363 0.000 1.158 435 V CA -0.972 61.089 62.300 -0.398 0.000 1.029 435 V CB 2.409 33.974 31.823 -0.429 0.000 1.057 435 V HN 0.350 nan 8.190 nan 0.000 0.436 436 Y N 0.339 120.455 120.300 -0.308 0.000 2.677 436 Y HA 0.659 5.209 4.550 -0.000 0.000 0.334 436 Y C -0.452 175.397 175.900 -0.084 0.000 1.154 436 Y CA -2.448 55.571 58.100 -0.136 0.000 1.070 436 Y CB 0.679 39.123 38.460 -0.026 0.000 1.294 436 Y HN 0.705 nan 8.280 nan 0.000 0.475 437 E N 0.358 120.743 120.200 0.309 0.000 2.257 437 E HA 0.433 4.782 4.350 -0.000 0.000 0.278 437 E C 0.712 177.324 176.600 0.020 0.000 1.049 437 E CA 1.002 57.522 56.400 0.201 0.000 0.876 437 E CB -0.076 29.722 29.700 0.164 0.000 1.035 437 E HN 1.079 nan 8.360 nan 0.000 0.419 438 G N 2.943 111.792 108.800 0.081 0.000 2.238 438 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 438 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 438 G C 0.539 175.525 174.900 0.145 0.000 0.996 438 G CA -0.254 44.859 45.100 0.022 0.000 0.632 438 G HN 0.863 nan 8.290 nan 0.000 0.503 439 G N -0.207 108.813 108.800 0.367 0.000 2.651 439 G HA2 0.513 4.473 3.960 -0.000 0.000 0.260 439 G HA3 0.513 4.473 3.960 -0.000 0.000 0.260 439 G C -0.280 174.709 174.900 0.149 0.000 1.216 439 G CA 0.642 45.977 45.100 0.393 0.000 0.913 439 G HN 0.591 nan 8.290 nan 0.000 0.535 440 E N -1.346 118.906 120.200 0.087 0.000 2.343 440 E HA 0.462 4.812 4.350 -0.000 0.000 0.270 440 E C -0.871 175.765 176.600 0.061 0.000 0.895 440 E CA -0.772 55.673 56.400 0.076 0.000 0.767 440 E CB 1.946 31.696 29.700 0.084 0.000 1.248 440 E HN 0.278 nan 8.360 nan 0.000 0.440 441 I N 3.732 124.350 120.570 0.081 0.000 2.310 441 I HA 0.149 4.319 4.170 -0.000 0.000 0.287 441 I C -0.152 176.052 176.117 0.145 0.000 1.073 441 I CA -0.365 60.996 61.300 0.101 0.000 1.216 441 I CB 0.856 38.913 38.000 0.094 0.000 1.415 441 I HN 0.404 nan 8.210 nan 0.000 0.480 442 S N 5.145 120.964 115.700 0.199 0.000 2.584 442 S HA 0.236 4.706 4.470 -0.000 0.000 0.273 442 S C 1.177 175.969 174.600 0.320 0.000 1.311 442 S CA -0.877 57.485 58.200 0.270 0.000 1.034 442 S CB 1.269 64.651 63.200 0.304 0.000 0.939 442 S HN 0.718 nan 8.310 nan 0.000 0.513 443 M N -0.025 119.761 119.600 0.310 0.000 2.530 443 M HA 0.005 4.485 4.480 -0.000 0.000 0.261 443 M C 0.147 176.471 176.300 0.039 0.000 1.067 443 M CA 1.326 56.715 55.300 0.148 0.000 1.071 443 M CB -1.025 31.602 32.600 0.045 0.000 1.405 443 M HN 0.682 nan 8.290 nan 0.000 0.478 444 Y N -0.159 120.119 120.300 -0.036 0.000 2.465 444 Y HA 0.300 4.850 4.550 -0.000 0.000 0.311 444 Y C -0.508 174.958 175.900 -0.723 0.000 1.204 444 Y CA -0.410 57.495 58.100 -0.324 0.000 1.272 444 Y CB -1.049 37.180 38.460 -0.386 0.000 1.083 444 Y HN 0.215 nan 8.280 nan 0.000 0.508 445 Y N -2.485 117.926 120.300 0.185 0.000 2.914 445 Y HA 0.200 4.750 4.550 -0.000 0.000 0.327 445 Y C -0.684 175.264 175.900 0.081 0.000 1.440 445 Y CA -2.366 55.817 58.100 0.138 0.000 1.086 445 Y CB 0.320 38.854 38.460 0.124 0.000 1.544 445 Y HN -0.295 nan 8.280 nan 0.000 0.442 446 D N 3.088 123.644 120.400 0.261 0.000 2.383 446 D HA 0.182 4.822 4.640 -0.000 0.000 0.252 446 D C -1.536 174.857 176.300 0.154 0.000 1.166 446 D CA -1.698 52.392 54.000 0.150 0.000 0.879 446 D CB 0.983 41.859 40.800 0.128 0.000 1.164 446 D HN 0.193 nan 8.370 nan 0.000 0.462 447 P HA -0.116 nan 4.420 nan 0.000 0.234 447 P C 0.369 177.864 177.300 0.324 0.000 1.162 447 P CA 0.344 63.529 63.100 0.141 0.000 0.759 447 P CB -0.054 31.657 31.700 0.017 0.000 0.813 448 M N 1.257 121.103 119.600 0.411 0.000 2.188 448 M HA 0.140 4.620 4.480 -0.000 0.000 0.354 448 M C 1.364 177.739 176.300 0.126 0.000 1.342 448 M CA -0.065 55.453 55.300 0.363 0.000 1.117 448 M CB 0.474 33.236 32.600 0.271 0.000 1.670 448 M HN -0.122 nan 8.290 nan 0.000 0.466 449 I N 2.188 122.792 120.570 0.055 0.000 3.708 449 I HA 0.627 4.797 4.170 -0.000 0.000 0.302 449 I C 0.179 176.310 176.117 0.024 0.000 1.255 449 I CA 0.127 61.441 61.300 0.023 0.000 1.362 449 I CB 0.359 38.388 38.000 0.048 0.000 1.100 449 I HN 0.677 nan 8.210 nan 0.000 0.434 450 A N 0.774 123.582 122.820 -0.020 0.000 2.567 450 A HA 0.628 4.948 4.320 -0.000 0.000 0.291 450 A C -1.592 175.945 177.584 -0.078 0.000 1.048 450 A CA -0.785 51.262 52.037 0.015 0.000 0.661 450 A CB 0.934 20.042 19.000 0.179 0.000 1.288 450 A HN 0.145 nan 8.150 nan 0.000 0.424 451 K N 0.225 120.606 120.400 -0.031 0.000 2.358 451 K HA 0.598 4.918 4.320 -0.000 0.000 0.260 451 K C -1.393 175.202 176.600 -0.008 0.000 0.956 451 K CA -0.457 55.790 56.287 -0.066 0.000 0.834 451 K CB 1.878 34.341 32.500 -0.061 0.000 1.102 451 K HN 0.511 nan 8.250 nan 0.000 0.431 452 L N 5.150 126.360 121.223 -0.022 0.000 2.301 452 L HA 0.395 4.735 4.340 -0.000 0.000 0.278 452 L C -1.315 175.571 176.870 0.026 0.000 1.022 452 L CA -0.307 54.558 54.840 0.042 0.000 0.854 452 L CB 0.309 42.399 42.059 0.053 0.000 1.226 452 L HN 0.687 nan 8.230 nan 0.000 0.429 453 C N 2.525 121.846 119.300 0.037 0.000 2.366 453 C HA 0.944 5.404 4.460 -0.000 0.000 0.345 453 C C 0.688 175.731 174.990 0.088 0.000 1.209 453 C CA -0.327 58.719 59.018 0.046 0.000 2.050 453 C CB 1.077 28.828 27.740 0.017 0.000 2.359 453 C HN 0.891 nan 8.230 nan 0.000 0.527 454 T N -0.545 114.083 114.554 0.124 0.000 2.838 454 T HA 0.860 5.210 4.350 -0.000 0.000 0.292 454 T C -1.150 173.713 174.700 0.270 0.000 1.113 454 T CA -0.498 61.699 62.100 0.163 0.000 1.008 454 T CB 2.080 71.015 68.868 0.111 0.000 1.259 454 T HN 1.171 nan 8.240 nan 0.000 0.520 455 W N 0.501 121.833 121.300 0.054 0.000 3.057 455 W HA 0.655 5.315 4.660 -0.000 0.000 0.328 455 W C -2.201 174.359 176.519 0.069 0.000 1.232 455 W CA -0.536 56.850 57.345 0.069 0.000 1.187 455 W CB 0.711 30.193 29.460 0.036 0.000 1.417 455 W HN 1.350 nan 8.180 nan 0.000 0.569 456 A N 2.122 123.903 122.820 -1.732 0.000 2.799 456 A HA 0.662 4.982 4.320 -0.000 0.000 0.308 456 A C -2.712 173.984 177.584 -1.480 0.000 1.108 456 A CA -0.155 50.959 52.037 -1.538 0.000 0.600 456 A CB 0.664 19.315 19.000 -0.583 0.000 1.452 456 A HN 0.294 nan 8.150 nan 0.000 0.617 457 P HA 0.101 nan 4.420 nan 0.000 0.211 457 P C 0.878 178.077 177.300 -0.169 0.000 1.183 457 P CA 2.062 64.946 63.100 -0.359 0.000 0.901 457 P CB -0.524 31.072 31.700 -0.173 0.000 0.762 458 T N -2.570 111.899 114.554 -0.141 0.000 2.868 458 T HA 0.230 4.580 4.350 -0.000 0.000 0.292 458 T C 1.332 175.935 174.700 -0.162 0.000 1.028 458 T CA -0.564 61.470 62.100 -0.111 0.000 1.059 458 T CB 1.540 70.328 68.868 -0.134 0.000 0.991 458 T HN -0.011 nan 8.240 nan 0.000 0.531 459 R N 0.747 121.015 120.500 -0.386 0.000 2.073 459 R HA -0.002 4.338 4.340 -0.000 0.000 0.229 459 R C 2.576 178.660 176.300 -0.360 0.000 1.120 459 R CA 1.207 56.952 56.100 -0.592 0.000 0.967 459 R CB -1.010 28.371 30.300 -1.531 0.000 0.862 459 R HN 0.844 nan 8.270 nan 0.000 0.436 460 A N 1.016 123.639 122.820 -0.327 0.000 1.986 460 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 460 A C 2.293 179.785 177.584 -0.154 0.000 1.171 460 A CA 1.875 53.777 52.037 -0.225 0.000 0.640 460 A CB -0.720 18.170 19.000 -0.184 0.000 0.811 460 A HN 0.581 nan 8.150 nan 0.000 0.451 461 A N -0.062 122.665 122.820 -0.154 0.000 1.828 461 A HA 0.139 4.459 4.320 -0.000 0.000 0.215 461 A C 2.589 180.110 177.584 -0.105 0.000 1.203 461 A CA 2.427 54.385 52.037 -0.132 0.000 0.614 461 A CB -1.394 17.502 19.000 -0.174 0.000 0.844 461 A HN 1.245 nan 8.150 nan 0.000 0.445 462 A N -0.157 122.601 122.820 -0.103 0.000 1.927 462 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 462 A C 1.953 179.550 177.584 0.021 0.000 1.185 462 A CA 1.927 53.947 52.037 -0.027 0.000 0.639 462 A CB -0.681 18.357 19.000 0.064 0.000 0.820 462 A HN 0.469 nan 8.150 nan 0.000 0.451 463 I N -0.345 120.227 120.570 0.003 0.000 2.454 463 I HA -0.175 3.995 4.170 -0.000 0.000 0.254 463 I C 2.310 178.449 176.117 0.036 0.000 1.156 463 I CA 1.861 63.194 61.300 0.055 0.000 1.433 463 I CB -1.304 36.697 38.000 0.003 0.000 1.082 463 I HN 0.437 nan 8.210 nan 0.000 0.432 464 E N 1.438 121.634 120.200 -0.007 0.000 2.033 464 E HA -0.035 4.315 4.350 -0.000 0.000 0.189 464 E C 2.295 178.896 176.600 0.003 0.000 0.979 464 E CA 1.451 57.846 56.400 -0.007 0.000 0.802 464 E CB -0.210 29.471 29.700 -0.030 0.000 0.763 464 E HN 0.306 nan 8.360 nan 0.000 0.449 465 A N 0.673 123.490 122.820 -0.005 0.000 1.927 465 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 465 A C 2.257 179.858 177.584 0.028 0.000 1.185 465 A CA 2.458 54.500 52.037 0.008 0.000 0.639 465 A CB -0.771 18.233 19.000 0.006 0.000 0.820 465 A HN 0.443 nan 8.150 nan 0.000 0.451 466 M N -0.931 118.693 119.600 0.040 0.000 2.065 466 M HA -0.119 4.361 4.480 -0.000 0.000 0.259 466 M C 2.085 178.407 176.300 0.037 0.000 1.071 466 M CA 1.868 57.197 55.300 0.048 0.000 1.109 466 M CB -0.492 32.146 32.600 0.063 0.000 1.313 466 M HN 0.295 nan 8.290 nan 0.000 0.408 467 R N 0.631 121.152 120.500 0.035 0.000 2.103 467 R HA -0.125 4.215 4.340 -0.000 0.000 0.242 467 R C 2.068 178.382 176.300 0.024 0.000 1.142 467 R CA 2.169 58.286 56.100 0.028 0.000 0.960 467 R CB -1.231 29.087 30.300 0.031 0.000 0.858 467 R HN 0.658 nan 8.270 nan 0.000 0.439 468 I N 0.007 120.589 120.570 0.020 0.000 2.163 468 I HA -0.221 3.949 4.170 -0.000 0.000 0.240 468 I C 2.552 178.684 176.117 0.025 0.000 1.081 468 I CA 1.266 62.575 61.300 0.016 0.000 1.353 468 I CB -0.805 37.200 38.000 0.008 0.000 1.054 468 I HN 0.061 nan 8.210 nan 0.000 0.407 469 A N 1.870 124.710 122.820 0.033 0.000 1.894 469 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 469 A C 2.371 180.005 177.584 0.083 0.000 1.237 469 A CA 2.153 54.220 52.037 0.050 0.000 0.660 469 A CB -1.282 17.756 19.000 0.064 0.000 0.835 469 A HN 0.428 nan 8.150 nan 0.000 0.461 470 L N -0.753 120.518 121.223 0.080 0.000 2.013 470 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 470 L C 2.255 179.183 176.870 0.096 0.000 1.073 470 L CA 1.744 56.641 54.840 0.094 0.000 0.753 470 L CB -0.844 41.233 42.059 0.029 0.000 0.890 470 L HN 0.398 nan 8.230 nan 0.000 0.432 471 D N -0.411 120.023 120.400 0.056 0.000 2.239 471 D HA -0.163 4.477 4.640 -0.000 0.000 0.202 471 D C 1.978 178.303 176.300 0.041 0.000 0.993 471 D CA 1.548 55.573 54.000 0.043 0.000 0.874 471 D CB 0.062 40.874 40.800 0.020 0.000 0.922 471 D HN 0.291 nan 8.370 nan 0.000 0.464 472 S N -0.741 114.981 115.700 0.038 0.000 2.540 472 S HA 0.092 4.562 4.470 -0.000 0.000 0.218 472 S C 0.413 174.998 174.600 -0.024 0.000 0.977 472 S CA -0.601 57.598 58.200 -0.002 0.000 0.918 472 S CB 0.379 63.559 63.200 -0.033 0.000 0.806 472 S HN 0.161 nan 8.310 nan 0.000 0.496 473 F N 3.562 123.465 119.950 -0.078 0.000 2.471 473 F HA 0.152 4.679 4.527 -0.000 0.000 0.365 473 F C 0.386 176.107 175.800 -0.131 0.000 1.095 473 F CA -0.200 57.721 58.000 -0.130 0.000 1.174 473 F CB 0.372 39.294 39.000 -0.130 0.000 1.105 473 F HN 0.046 nan 8.300 nan 0.000 0.535 474 E N 5.085 125.295 120.200 0.017 0.000 2.109 474 E HA 0.427 4.777 4.350 -0.000 0.000 0.278 474 E C -1.133 175.512 176.600 0.074 0.000 0.954 474 E CA -0.669 55.756 56.400 0.041 0.000 0.779 474 E CB 2.285 31.965 29.700 -0.033 0.000 1.093 474 E HN 0.284 nan 8.360 nan 0.000 0.401 475 V N 3.808 123.767 119.914 0.075 0.000 2.638 475 V HA 0.323 4.443 4.120 -0.000 0.000 0.306 475 V C -0.599 175.609 176.094 0.190 0.000 1.052 475 V CA -0.704 61.644 62.300 0.080 0.000 0.885 475 V CB 2.023 33.717 31.823 -0.215 0.000 0.999 475 V HN 0.593 nan 8.190 nan 0.000 0.424 476 E N 2.315 122.639 120.200 0.206 0.000 2.331 476 E HA 0.688 5.038 4.350 -0.000 0.000 0.275 476 E C 0.570 177.278 176.600 0.180 0.000 0.895 476 E CA 0.218 56.736 56.400 0.197 0.000 0.753 476 E CB 2.009 31.796 29.700 0.146 0.000 1.216 476 E HN 0.884 nan 8.360 nan 0.000 0.434 477 G N 1.834 110.730 108.800 0.160 0.000 2.352 477 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.204 477 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.204 477 G C 0.236 175.216 174.900 0.132 0.000 1.004 477 G CA 0.126 45.305 45.100 0.132 0.000 0.648 477 G HN 0.514 nan 8.290 nan 0.000 0.491 478 I N -1.245 119.429 120.570 0.174 0.000 3.145 478 I HA 0.870 5.040 4.170 -0.000 0.000 0.313 478 I C 0.442 176.656 176.117 0.161 0.000 1.122 478 I CA -1.025 60.369 61.300 0.158 0.000 0.987 478 I CB 1.872 39.974 38.000 0.170 0.000 1.236 478 I HN 0.279 nan 8.210 nan 0.000 0.453 479 G N 1.764 110.614 108.800 0.084 0.000 2.395 479 G HA2 0.614 4.574 3.960 -0.000 0.000 0.283 479 G HA3 0.614 4.574 3.960 -0.000 0.000 0.283 479 G C -0.726 174.176 174.900 0.003 0.000 1.178 479 G CA -0.255 44.831 45.100 -0.023 0.000 0.837 479 G HN 1.020 nan 8.290 nan 0.000 0.518 480 H N -0.026 119.058 119.070 0.023 0.000 2.990 480 H HA 0.276 4.832 4.556 -0.000 0.000 0.343 480 H C -0.229 175.051 175.328 -0.081 0.000 1.270 480 H CA -0.839 55.202 56.048 -0.012 0.000 1.118 480 H CB 1.453 31.221 29.762 0.009 0.000 1.861 480 H HN 0.459 nan 8.280 nan 0.000 0.544 481 N N 0.598 119.341 118.700 0.072 0.000 2.398 481 N HA -0.046 4.694 4.740 -0.000 0.000 0.188 481 N C 1.194 176.733 175.510 0.048 0.000 1.122 481 N CA -0.163 52.868 53.050 -0.033 0.000 0.866 481 N CB -0.033 38.487 38.487 0.055 0.000 0.970 481 N HN 0.452 nan 8.380 nan 0.000 0.462 482 L N 1.656 123.000 121.223 0.202 0.000 2.010 482 L HA -0.126 4.214 4.340 -0.000 0.000 0.219 482 L C -0.499 176.396 176.870 0.041 0.000 1.077 482 L CA 2.262 57.153 54.840 0.085 0.000 0.773 482 L CB -1.263 40.855 42.059 0.098 0.000 0.892 482 L HN 0.177 nan 8.230 nan 0.000 0.436 483 P HA -0.248 nan 4.420 nan 0.000 0.216 483 P C 1.845 179.034 177.300 -0.184 0.000 1.153 483 P CA 1.562 64.715 63.100 0.089 0.000 0.848 483 P CB -0.319 31.568 31.700 0.310 0.000 0.787 484 F N 1.421 120.977 119.950 -0.656 0.000 2.069 484 F HA -0.196 4.330 4.527 -0.000 0.000 0.298 484 F C 2.335 177.805 175.800 -0.550 0.000 1.113 484 F CA 1.435 58.781 58.000 -1.089 0.000 1.214 484 F CB -1.313 37.145 39.000 -0.903 0.000 0.978 484 F HN -0.301 nan 8.300 nan 0.000 0.474 485 L N -0.504 120.458 121.223 -0.435 0.000 1.990 485 L HA -0.315 4.025 4.340 -0.000 0.000 0.213 485 L C 2.606 179.253 176.870 -0.372 0.000 1.072 485 L CA 1.779 56.359 54.840 -0.434 0.000 0.755 485 L CB -1.363 40.563 42.059 -0.222 0.000 0.889 485 L HN 0.127 nan 8.230 nan 0.000 0.432 486 S N -0.160 115.408 115.700 -0.220 0.000 2.372 486 S HA -0.287 4.183 4.470 -0.000 0.000 0.227 486 S C 2.189 176.720 174.600 -0.116 0.000 1.044 486 S CA 1.474 59.605 58.200 -0.114 0.000 1.050 486 S CB -0.464 62.722 63.200 -0.024 0.000 0.901 486 S HN 0.531 nan 8.310 nan 0.000 0.447 487 A N 1.081 123.796 122.820 -0.175 0.000 1.903 487 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 487 A C 2.483 180.071 177.584 0.006 0.000 1.191 487 A CA 2.188 54.196 52.037 -0.048 0.000 0.638 487 A CB -1.180 17.767 19.000 -0.088 0.000 0.823 487 A HN 0.651 nan 8.150 nan 0.000 0.451 488 V N -2.374 117.408 119.914 -0.220 0.000 2.453 488 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 488 V C 2.122 178.170 176.094 -0.078 0.000 1.048 488 V CA 2.063 64.320 62.300 -0.071 0.000 1.049 488 V CB -0.676 30.941 31.823 -0.343 0.000 0.672 488 V HN 0.432 nan 8.190 nan 0.000 0.457 489 M N 0.679 120.165 119.600 -0.189 0.000 2.346 489 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 489 M C 1.429 177.864 176.300 0.224 0.000 1.064 489 M CA 1.703 57.001 55.300 -0.003 0.000 1.083 489 M CB -1.309 31.281 32.600 -0.017 0.000 1.399 489 M HN 0.477 nan 8.290 nan 0.000 0.435 490 D N -1.748 118.749 120.400 0.160 0.000 2.389 490 D HA 0.005 4.645 4.640 -0.000 0.000 0.206 490 D C 0.636 177.067 176.300 0.218 0.000 1.055 490 D CA 0.223 54.319 54.000 0.161 0.000 0.856 490 D CB -0.035 40.828 40.800 0.105 0.000 0.957 490 D HN 0.204 nan 8.370 nan 0.000 0.509 491 H N 2.022 121.216 119.070 0.207 0.000 2.929 491 H HA 0.024 4.580 4.556 -0.000 0.000 0.317 491 H C -1.475 173.996 175.328 0.239 0.000 1.031 491 H CA -1.400 54.794 56.048 0.243 0.000 1.466 491 H CB 1.398 31.383 29.762 0.372 0.000 1.482 491 H HN -0.068 nan 8.280 nan 0.000 0.561 492 P HA -0.235 nan 4.420 nan 0.000 0.215 492 P C 1.234 178.735 177.300 0.334 0.000 1.163 492 P CA 1.610 64.861 63.100 0.253 0.000 0.894 492 P CB 0.378 32.142 31.700 0.106 0.000 0.791 493 K N -1.442 119.298 120.400 0.566 0.000 2.211 493 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 493 K C 2.177 178.889 176.600 0.186 0.000 1.047 493 K CA 1.139 57.633 56.287 0.345 0.000 0.935 493 K CB -0.549 32.204 32.500 0.421 0.000 0.728 493 K HN 0.176 nan 8.250 nan 0.000 0.452 494 F N 1.116 121.101 119.950 0.058 0.000 2.234 494 F HA -0.085 4.442 4.527 -0.000 0.000 0.296 494 F C 1.750 177.503 175.800 -0.078 0.000 1.089 494 F CA 0.849 58.759 58.000 -0.150 0.000 1.343 494 F CB 0.093 39.013 39.000 -0.134 0.000 1.040 494 F HN -0.125 nan 8.300 nan 0.000 0.498 495 I N 0.270 120.759 120.570 -0.136 0.000 2.202 495 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 495 I C 2.582 178.552 176.117 -0.246 0.000 1.091 495 I CA 1.434 62.586 61.300 -0.247 0.000 1.368 495 I CB -0.894 37.080 38.000 -0.044 0.000 1.058 495 I HN 0.245 nan 8.210 nan 0.000 0.410 496 S N 0.494 116.125 115.700 -0.115 0.000 2.453 496 S HA 0.076 4.546 4.470 -0.000 0.000 0.231 496 S C 1.880 176.410 174.600 -0.116 0.000 1.005 496 S CA 0.676 58.823 58.200 -0.087 0.000 0.949 496 S CB -0.014 63.183 63.200 -0.005 0.000 0.774 496 S HN 0.655 nan 8.310 nan 0.000 0.510 497 G N 1.209 109.909 108.800 -0.168 0.000 2.225 497 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.254 497 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.254 497 G C -0.034 174.839 174.900 -0.045 0.000 0.988 497 G CA 0.234 45.245 45.100 -0.147 0.000 0.625 497 G HN 0.682 nan 8.290 nan 0.000 0.527 498 D N 1.727 122.124 120.400 -0.004 0.000 2.545 498 D HA 0.482 5.122 4.640 -0.000 0.000 0.227 498 D C 1.108 177.432 176.300 0.040 0.000 1.150 498 D CA 0.178 54.197 54.000 0.030 0.000 1.046 498 D CB -0.616 40.221 40.800 0.061 0.000 1.098 498 D HN 0.605 nan 8.370 nan 0.000 0.502 499 M N 0.525 120.117 119.600 -0.012 0.000 2.518 499 M HA 0.587 5.067 4.480 -0.000 0.000 0.300 499 M C -0.533 175.767 176.300 0.000 0.000 1.175 499 M CA -0.859 54.447 55.300 0.009 0.000 0.890 499 M CB 2.138 34.628 32.600 -0.184 0.000 1.710 499 M HN 0.028 nan 8.290 nan 0.000 0.453 500 T N -2.733 111.875 114.554 0.089 0.000 2.804 500 T HA 0.501 4.851 4.350 -0.000 0.000 0.272 500 T C 0.944 175.704 174.700 0.101 0.000 0.986 500 T CA 0.029 62.166 62.100 0.062 0.000 0.999 500 T CB 1.179 70.096 68.868 0.081 0.000 1.307 500 T HN 0.813 nan 8.240 nan 0.000 0.586 501 T N -2.658 111.947 114.554 0.086 0.000 3.129 501 T HA 0.336 4.686 4.350 -0.000 0.000 0.251 501 T C 1.578 176.345 174.700 0.111 0.000 1.117 501 T CA 0.266 62.424 62.100 0.097 0.000 1.034 501 T CB -0.407 68.514 68.868 0.087 0.000 0.968 501 T HN 0.789 nan 8.240 nan 0.000 0.526 502 A N -0.035 122.858 122.820 0.121 0.000 2.348 502 A HA 0.461 4.781 4.320 -0.000 0.000 0.224 502 A C 1.399 179.055 177.584 0.119 0.000 1.227 502 A CA -0.455 51.643 52.037 0.102 0.000 0.885 502 A CB -0.789 18.258 19.000 0.077 0.000 0.933 502 A HN 0.448 nan 8.150 nan 0.000 0.506 503 F N 0.908 120.869 119.950 0.019 0.000 2.039 503 F HA -0.345 4.183 4.527 0.000 0.000 0.296 503 F C 1.749 177.576 175.800 0.046 0.000 1.119 503 F CA 2.511 60.514 58.000 0.005 0.000 1.211 503 F CB -0.306 38.688 39.000 -0.011 0.000 0.956 503 F HN 0.260 nan 8.300 nan 0.000 0.496 504 I N 0.850 121.561 120.570 0.235 0.000 2.194 504 I HA -0.275 3.895 4.170 -0.000 0.000 0.246 504 I C 2.372 178.542 176.117 0.088 0.000 1.093 504 I CA 1.877 63.304 61.300 0.213 0.000 1.355 504 I CB -1.184 36.962 38.000 0.243 0.000 1.046 504 I HN 0.294 nan 8.210 nan 0.000 0.413 505 A N -0.626 122.219 122.820 0.041 0.000 1.929 505 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 505 A C 2.238 179.812 177.584 -0.017 0.000 1.176 505 A CA 1.637 53.685 52.037 0.018 0.000 0.628 505 A CB -0.635 18.378 19.000 0.022 0.000 0.816 505 A HN 0.566 nan 8.150 nan 0.000 0.444 506 E N -0.454 119.705 120.200 -0.068 0.000 2.076 506 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 506 E C 1.813 178.309 176.600 -0.173 0.000 0.979 506 E CA 1.016 57.359 56.400 -0.095 0.000 0.807 506 E CB -0.044 29.605 29.700 -0.085 0.000 0.761 506 E HN 0.473 nan 8.360 nan 0.000 0.454 507 E N -0.194 119.792 120.200 -0.356 0.000 2.216 507 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 507 E C 0.112 176.349 176.600 -0.605 0.000 0.988 507 E CA 0.815 56.895 56.400 -0.534 0.000 0.834 507 E CB 0.165 29.276 29.700 -0.982 0.000 0.772 507 E HN 0.376 nan 8.360 nan 0.000 0.479 508 Y N 0.669 120.949 120.300 -0.033 0.000 2.470 508 Y HA 0.201 4.751 4.550 -0.000 0.000 0.352 508 Y C -1.563 174.360 175.900 0.039 0.000 0.967 508 Y CA -1.580 56.567 58.100 0.078 0.000 1.121 508 Y CB 1.183 39.758 38.460 0.191 0.000 1.149 508 Y HN -0.015 nan 8.280 nan 0.000 0.641 509 P HA -0.135 nan 4.420 nan 0.000 0.223 509 P C 0.275 177.620 177.300 0.076 0.000 1.151 509 P CA 1.442 64.578 63.100 0.060 0.000 0.787 509 P CB 0.632 32.347 31.700 0.025 0.000 0.788 510 E N 0.218 120.485 120.200 0.111 0.000 2.499 510 E HA 0.339 4.689 4.350 -0.000 0.000 0.207 510 E C 1.168 177.857 176.600 0.149 0.000 1.034 510 E CA -0.023 56.440 56.400 0.106 0.000 1.098 510 E CB 0.068 29.821 29.700 0.088 0.000 1.148 510 E HN 0.233 nan 8.360 nan 0.000 0.447 511 G N 1.869 110.776 108.800 0.177 0.000 2.693 511 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.226 511 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.226 511 G C -0.690 174.427 174.900 0.361 0.000 1.354 511 G CA -0.460 44.773 45.100 0.222 0.000 0.873 511 G HN 0.262 nan 8.290 nan 0.000 0.562 512 F N 2.402 122.434 119.950 0.137 0.000 2.405 512 F HA 0.521 5.048 4.527 0.000 0.000 0.358 512 F C 1.440 177.326 175.800 0.143 0.000 1.151 512 F CA -0.795 57.278 58.000 0.121 0.000 1.161 512 F CB 0.277 39.206 39.000 -0.119 0.000 1.245 512 F HN 0.472 nan 8.300 nan 0.000 0.545 513 E N 4.324 124.565 120.200 0.069 0.000 2.438 513 E HA 0.215 4.565 4.350 -0.000 0.000 0.192 513 E C 1.070 177.467 176.600 -0.338 0.000 1.110 513 E CA 0.367 56.714 56.400 -0.088 0.000 0.893 513 E CB -0.450 29.284 29.700 0.057 0.000 0.990 513 E HN 0.948 nan 8.360 nan 0.000 0.490 514 G N 0.258 108.389 108.800 -1.115 0.000 2.787 514 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.685 514 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.685 514 G C -0.445 174.293 174.900 -0.270 0.000 1.437 514 G CA -0.647 43.941 45.100 -0.852 0.000 0.872 514 G HN 0.098 nan 8.290 nan 0.000 0.566 515 V N 2.348 122.283 119.914 0.035 0.000 2.628 515 V HA 0.776 4.896 4.120 -0.000 0.000 0.306 515 V C 0.019 176.175 176.094 0.103 0.000 1.045 515 V CA -0.385 62.021 62.300 0.177 0.000 0.905 515 V CB 1.954 33.956 31.823 0.299 0.000 0.997 515 V HN 1.261 nan 8.190 nan 0.000 0.436 516 N N 4.276 123.027 118.700 0.085 0.000 2.430 516 N HA 0.306 5.046 4.740 -0.000 0.000 0.290 516 N C -1.270 174.273 175.510 0.054 0.000 1.063 516 N CA -0.677 52.409 53.050 0.060 0.000 0.883 516 N CB 1.779 40.292 38.487 0.044 0.000 1.465 516 N HN 0.326 nan 8.380 nan 0.000 0.493 517 L N 1.608 122.860 121.223 0.048 0.000 2.483 517 L HA 0.340 4.680 4.340 -0.000 0.000 0.276 517 L C -1.954 174.937 176.870 0.034 0.000 1.213 517 L CA -0.998 53.863 54.840 0.035 0.000 0.843 517 L CB -0.803 41.267 42.059 0.019 0.000 1.107 517 L HN 0.433 nan 8.230 nan 0.000 0.487 518 P HA 0.214 nan 4.420 nan 0.000 0.281 518 P C 0.537 177.851 177.300 0.023 0.000 1.249 518 P CA -0.565 62.549 63.100 0.023 0.000 0.810 518 P CB 1.068 32.775 31.700 0.011 0.000 1.008 519 E N 1.832 122.057 120.200 0.041 0.000 2.110 519 E HA -0.315 4.035 4.350 -0.000 0.000 0.225 519 E C 1.361 177.959 176.600 -0.004 0.000 1.063 519 E CA 3.272 59.709 56.400 0.061 0.000 0.906 519 E CB -1.332 28.402 29.700 0.057 0.000 0.795 519 E HN 0.570 nan 8.360 nan 0.000 0.479 520 T N -1.592 112.944 114.554 -0.029 0.000 2.969 520 T HA -0.155 4.195 4.350 -0.000 0.000 0.271 520 T C 1.187 175.841 174.700 -0.076 0.000 1.127 520 T CA 1.406 63.465 62.100 -0.069 0.000 1.102 520 T CB -0.213 68.623 68.868 -0.054 0.000 0.855 520 T HN 0.128 nan 8.240 nan 0.000 0.536 521 D N 0.764 121.131 120.400 -0.055 0.000 2.269 521 D HA 0.219 4.859 4.640 -0.000 0.000 0.220 521 D C 2.215 178.459 176.300 -0.093 0.000 0.962 521 D CA 0.271 54.237 54.000 -0.056 0.000 0.884 521 D CB -0.231 40.555 40.800 -0.025 0.000 1.023 521 D HN 0.294 nan 8.370 nan 0.000 0.484 522 L N 0.698 121.866 121.223 -0.092 0.000 2.013 522 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 522 L C 2.615 179.244 176.870 -0.403 0.000 1.073 522 L CA 1.249 55.983 54.840 -0.177 0.000 0.753 522 L CB -0.331 41.692 42.059 -0.061 0.000 0.890 522 L HN 0.003 nan 8.230 nan 0.000 0.432 523 R N -0.165 120.087 120.500 -0.414 0.000 2.132 523 R HA -0.226 4.114 4.340 -0.000 0.000 0.233 523 R C 2.442 178.625 176.300 -0.196 0.000 1.125 523 R CA 2.002 57.825 56.100 -0.460 0.000 0.914 523 R CB -0.331 29.718 30.300 -0.417 0.000 0.845 523 R HN 0.222 nan 8.270 nan 0.000 0.431 524 R N -0.283 120.135 120.500 -0.137 0.000 2.113 524 R HA -0.191 4.149 4.340 -0.000 0.000 0.244 524 R C 2.301 178.564 176.300 -0.061 0.000 1.142 524 R CA 1.937 58.003 56.100 -0.058 0.000 0.953 524 R CB -0.652 29.611 30.300 -0.061 0.000 0.860 524 R HN 0.122 nan 8.270 nan 0.000 0.438 525 V N 0.540 120.390 119.914 -0.107 0.000 2.343 525 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 525 V C 2.337 178.361 176.094 -0.116 0.000 1.051 525 V CA 1.927 64.157 62.300 -0.116 0.000 1.036 525 V CB -0.637 31.118 31.823 -0.114 0.000 0.654 525 V HN 0.506 nan 8.190 nan 0.000 0.451 526 A N -0.063 122.667 122.820 -0.151 0.000 1.883 526 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 526 A C 2.454 180.007 177.584 -0.051 0.000 1.186 526 A CA 2.390 54.356 52.037 -0.119 0.000 0.624 526 A CB -0.965 17.878 19.000 -0.261 0.000 0.822 526 A HN 0.602 nan 8.150 nan 0.000 0.444 527 A N -0.177 122.655 122.820 0.021 0.000 1.873 527 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 527 A C 2.569 180.120 177.584 -0.054 0.000 1.193 527 A CA 2.670 54.705 52.037 -0.003 0.000 0.629 527 A CB -1.237 17.852 19.000 0.149 0.000 0.826 527 A HN 1.197 nan 8.150 nan 0.000 0.447 528 A N -0.315 122.463 122.820 -0.070 0.000 1.883 528 A HA 0.115 4.435 4.320 -0.000 0.000 0.217 528 A C 2.556 180.033 177.584 -0.178 0.000 1.186 528 A CA 2.469 54.429 52.037 -0.129 0.000 0.624 528 A CB -1.163 17.741 19.000 -0.161 0.000 0.822 528 A HN 1.166 nan 8.150 nan 0.000 0.444 529 A N -0.215 122.507 122.820 -0.165 0.000 1.877 529 A HA 0.142 4.462 4.320 -0.000 0.000 0.216 529 A C 2.536 180.157 177.584 0.061 0.000 1.186 529 A CA 2.261 54.236 52.037 -0.103 0.000 0.620 529 A CB -1.116 17.901 19.000 0.029 0.000 0.822 529 A HN 1.132 nan 8.150 nan 0.000 0.443 530 A N -0.118 122.688 122.820 -0.023 0.000 1.908 530 A HA 0.111 4.431 4.320 -0.000 0.000 0.218 530 A C 2.519 180.030 177.584 -0.122 0.000 1.181 530 A CA 2.282 54.256 52.037 -0.105 0.000 0.627 530 A CB -1.071 17.856 19.000 -0.122 0.000 0.818 530 A HN 1.096 nan 8.150 nan 0.000 0.445 531 A N -0.053 122.716 122.820 -0.084 0.000 1.883 531 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 531 A C 2.295 179.867 177.584 -0.019 0.000 1.186 531 A CA 2.058 54.059 52.037 -0.061 0.000 0.624 531 A CB -0.641 18.328 19.000 -0.051 0.000 0.822 531 A HN 0.597 nan 8.150 nan 0.000 0.444 532 M N -1.683 117.909 119.600 -0.014 0.000 2.077 532 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 532 M C 2.333 178.773 176.300 0.233 0.000 1.070 532 M CA 1.799 57.146 55.300 0.080 0.000 1.125 532 M CB -0.979 31.456 32.600 -0.274 0.000 1.339 532 M HN 0.601 nan 8.290 nan 0.000 0.409 533 H N 1.499 120.686 119.070 0.195 0.000 2.357 533 H HA -0.200 4.356 4.556 -0.000 0.000 0.296 533 H C 2.215 177.434 175.328 -0.182 0.000 1.108 533 H CA 2.255 58.303 56.048 -0.001 0.000 1.273 533 H CB -0.217 29.410 29.762 -0.225 0.000 1.367 533 H HN 0.349 nan 8.280 nan 0.000 0.498 534 R N 0.343 120.747 120.500 -0.160 0.000 2.073 534 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 534 R C 2.550 178.796 176.300 -0.090 0.000 1.134 534 R CA 1.625 57.608 56.100 -0.195 0.000 0.952 534 R CB -0.384 29.820 30.300 -0.160 0.000 0.850 534 R HN 0.197 nan 8.270 nan 0.000 0.433 535 V N 1.291 121.197 119.914 -0.013 0.000 2.250 535 V HA -0.333 3.787 4.120 -0.000 0.000 0.250 535 V C 2.545 178.642 176.094 0.005 0.000 1.060 535 V CA 2.254 64.574 62.300 0.033 0.000 1.030 535 V CB -0.850 31.049 31.823 0.128 0.000 0.643 535 V HN 0.612 nan 8.190 nan 0.000 0.445 536 A N -0.966 121.856 122.820 0.004 0.000 1.930 536 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 536 A C 2.145 179.656 177.584 -0.121 0.000 1.175 536 A CA 1.740 53.753 52.037 -0.041 0.000 0.627 536 A CB -0.478 18.514 19.000 -0.014 0.000 0.815 536 A HN 0.516 nan 8.150 nan 0.000 0.443 537 E N 0.213 120.283 120.200 -0.217 0.000 2.077 537 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 537 E C 1.712 178.291 176.600 -0.036 0.000 0.989 537 E CA 0.983 57.288 56.400 -0.158 0.000 0.800 537 E CB -0.365 29.230 29.700 -0.175 0.000 0.746 537 E HN 0.647 nan 8.360 nan 0.000 0.452 538 I N 0.328 120.886 120.570 -0.021 0.000 2.286 538 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 538 I C 2.608 178.726 176.117 0.001 0.000 1.115 538 I CA 0.920 62.226 61.300 0.009 0.000 1.392 538 I CB -0.198 37.808 38.000 0.010 0.000 1.065 538 I HN 0.078 nan 8.210 nan 0.000 0.418 539 R N 1.492 121.983 120.500 -0.015 0.000 2.115 539 R HA -0.126 4.214 4.340 -0.000 0.000 0.230 539 R C 2.188 178.481 176.300 -0.012 0.000 1.111 539 R CA 1.218 57.308 56.100 -0.016 0.000 0.976 539 R CB -0.186 30.096 30.300 -0.029 0.000 0.870 539 R HN 0.372 nan 8.270 nan 0.000 0.445 540 R N -0.588 119.904 120.500 -0.014 0.000 2.152 540 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 540 R C 1.954 178.259 176.300 0.008 0.000 1.117 540 R CA 1.642 57.739 56.100 -0.005 0.000 0.981 540 R CB -0.550 29.747 30.300 -0.004 0.000 0.870 540 R HN 0.186 nan 8.270 nan 0.000 0.451 541 T N 1.442 116.005 114.554 0.014 0.000 2.915 541 T HA -0.038 4.312 4.350 -0.000 0.000 0.269 541 T C 1.386 176.096 174.700 0.018 0.000 1.071 541 T CA 0.920 63.034 62.100 0.023 0.000 1.132 541 T CB -0.042 68.844 68.868 0.030 0.000 0.878 541 T HN 0.233 nan 8.240 nan 0.000 0.479 542 R N 1.730 122.236 120.500 0.010 0.000 2.547 542 R HA 0.228 4.568 4.340 -0.000 0.000 0.258 542 R C 0.033 176.336 176.300 0.006 0.000 1.115 542 R CA -0.069 56.035 56.100 0.008 0.000 1.152 542 R CB -0.855 29.447 30.300 0.003 0.000 1.221 542 R HN 0.274 nan 8.270 nan 0.000 0.539 543 V N 2.140 122.059 119.914 0.008 0.000 2.843 543 V HA -0.051 4.069 4.120 -0.000 0.000 0.305 543 V C 1.218 177.317 176.094 0.008 0.000 1.065 543 V CA -0.033 62.271 62.300 0.007 0.000 1.116 543 V CB 1.209 33.037 31.823 0.009 0.000 0.968 543 V HN 0.412 nan 8.190 nan 0.000 0.487 544 S N 2.473 118.176 115.700 0.006 0.000 2.614 544 S HA 0.554 5.024 4.470 -0.000 0.000 0.265 544 S C 1.082 175.688 174.600 0.009 0.000 1.303 544 S CA 0.075 58.279 58.200 0.007 0.000 1.000 544 S CB 1.178 64.381 63.200 0.004 0.000 0.935 544 S HN 2.254 nan 8.310 nan 0.000 0.551 545 G N 0.966 109.773 108.800 0.011 0.000 2.141 545 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.242 545 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.242 545 G C 0.055 174.965 174.900 0.017 0.000 0.982 545 G CA 0.068 45.176 45.100 0.012 0.000 0.662 545 G HN 1.074 nan 8.290 nan 0.000 0.527 546 R N -0.214 120.298 120.500 0.021 0.000 2.560 546 R HA 0.672 5.012 4.340 -0.000 0.000 0.270 546 R C 0.803 177.127 176.300 0.040 0.000 1.074 546 R CA -0.887 55.231 56.100 0.030 0.000 1.140 546 R CB 0.642 30.962 30.300 0.033 0.000 1.073 546 R HN 0.212 nan 8.270 nan 0.000 0.527 547 M N 2.266 121.899 119.600 0.055 0.000 2.260 547 M HA -0.059 4.421 4.480 -0.000 0.000 0.348 547 M C 0.629 176.987 176.300 0.097 0.000 1.342 547 M CA 0.833 56.180 55.300 0.078 0.000 1.040 547 M CB 0.131 32.794 32.600 0.105 0.000 1.810 547 M HN 0.657 nan 8.290 nan 0.000 0.453 551 H N 0.605 119.680 119.070 0.007 0.000 2.624 551 H HA 0.154 4.710 4.556 -0.000 0.000 0.233 551 H C -0.077 175.257 175.328 0.010 0.000 1.376 551 H CA -0.423 55.630 56.048 0.008 0.000 1.137 551 H CB 0.505 30.270 29.762 0.006 0.000 1.867 551 H HN 0.083 nan 8.280 nan 0.000 0.547 552 E N 0.503 120.739 120.200 0.060 0.000 2.416 552 E HA 0.071 4.421 4.350 -0.000 0.000 0.254 552 E C 0.510 177.142 176.600 0.052 0.000 1.241 552 E CA -0.654 55.776 56.400 0.051 0.000 0.969 552 E CB 1.342 31.059 29.700 0.028 0.000 0.999 552 E HN 0.384 nan 8.360 nan 0.000 0.481 553 R N 0.257 120.786 120.500 0.048 0.000 2.441 553 R HA 0.222 4.562 4.340 -0.000 0.000 0.284 553 R C -0.415 175.913 176.300 0.048 0.000 1.070 553 R CA -0.389 55.741 56.100 0.050 0.000 1.047 553 R CB 0.630 30.961 30.300 0.052 0.000 1.016 553 R HN 0.545 nan 8.270 nan 0.000 0.477 554 R N 2.575 123.104 120.500 0.049 0.000 2.343 554 R HA 0.426 4.766 4.340 -0.000 0.000 0.320 554 R C -0.944 175.402 176.300 0.078 0.000 0.956 554 R CA -1.070 55.060 56.100 0.050 0.000 0.836 554 R CB 1.378 31.698 30.300 0.033 0.000 1.151 554 R HN 0.294 nan 8.270 nan 0.000 0.450 555 V N 2.801 122.779 119.914 0.108 0.000 2.637 555 V HA 0.229 4.349 4.120 -0.000 0.000 0.296 555 V C 1.293 177.515 176.094 0.214 0.000 1.046 555 V CA -0.024 62.392 62.300 0.194 0.000 1.066 555 V CB 1.045 32.994 31.823 0.211 0.000 0.968 555 V HN 0.946 nan 8.190 nan 0.000 0.483 556 G N 3.092 112.048 108.800 0.260 0.000 2.636 556 G HA2 0.337 4.297 3.960 -0.000 0.000 0.246 556 G HA3 0.337 4.297 3.960 -0.000 0.000 0.246 556 G C 0.719 175.786 174.900 0.277 0.000 1.216 556 G CA 0.197 45.331 45.100 0.056 0.000 0.854 556 G HN 0.740 nan 8.290 nan 0.000 0.572 557 T N -0.052 114.540 114.554 0.064 0.000 2.978 557 T HA 0.149 4.499 4.350 -0.000 0.000 0.248 557 T C 0.636 175.409 174.700 0.121 0.000 1.018 557 T CA 0.322 62.535 62.100 0.189 0.000 1.026 557 T CB 0.165 69.080 68.868 0.078 0.000 1.032 557 T HN 0.590 nan 8.240 nan 0.000 0.485 558 E N 0.585 120.643 120.200 -0.236 0.000 2.227 558 E HA 0.428 4.778 4.350 -0.000 0.000 0.282 558 E C -1.366 174.806 176.600 -0.712 0.000 1.015 558 E CA -0.558 55.679 56.400 -0.272 0.000 0.823 558 E CB 1.103 30.665 29.700 -0.231 0.000 1.081 558 E HN 0.292 nan 8.360 nan 0.000 0.396 559 W N 0.799 122.076 121.300 -0.040 0.000 3.047 559 W HA 0.482 5.142 4.660 0.000 0.000 0.341 559 W C -1.304 175.193 176.519 -0.037 0.000 1.225 559 W CA -0.709 56.606 57.345 -0.049 0.000 1.150 559 W CB 1.136 30.553 29.460 -0.070 0.000 1.470 559 W HN 0.127 nan 8.180 nan 0.000 0.578 560 V N 2.262 122.302 119.914 0.209 0.000 2.398 560 V HA 0.318 4.438 4.120 -0.000 0.000 0.282 560 V C -0.659 175.537 176.094 0.170 0.000 1.014 560 V CA -1.019 61.369 62.300 0.146 0.000 0.838 560 V CB 0.840 32.710 31.823 0.078 0.000 1.018 560 V HN 0.343 nan 8.190 nan 0.000 0.432 561 V N 3.655 123.689 119.914 0.200 0.000 2.427 561 V HA 0.291 4.411 4.120 -0.000 0.000 0.268 561 V C 0.678 176.936 176.094 0.273 0.000 1.046 561 V CA 0.278 62.695 62.300 0.196 0.000 0.970 561 V CB 1.214 33.130 31.823 0.154 0.000 1.001 561 V HN 0.908 nan 8.190 nan 0.000 0.476 562 T N 7.346 122.038 114.554 0.231 0.000 2.821 562 T HA 0.530 4.880 4.350 -0.000 0.000 0.307 562 T C 0.269 175.106 174.700 0.228 0.000 1.034 562 T CA -0.172 62.071 62.100 0.238 0.000 0.953 562 T CB 0.742 69.723 68.868 0.189 0.000 0.968 562 T HN 0.354 nan 8.240 nan 0.000 0.462 563 L N 1.666 123.038 121.223 0.249 0.000 2.721 563 L HA 0.405 4.745 4.340 -0.000 0.000 0.154 563 L C 1.533 178.496 176.870 0.155 0.000 1.831 563 L CA -0.749 54.200 54.840 0.181 0.000 2.816 563 L CB 0.070 42.242 42.059 0.188 0.000 3.008 563 L HN 0.470 nan 8.230 nan 0.000 0.696 564 Q N 0.438 120.320 119.800 0.137 0.000 2.912 564 Q HA 0.018 4.358 4.340 -0.000 0.000 0.231 564 Q C 0.647 176.709 176.000 0.104 0.000 1.304 564 Q CA 0.651 56.515 55.803 0.102 0.000 0.894 564 Q CB -0.848 27.947 28.738 0.094 0.000 1.757 564 Q HN 0.737 nan 8.270 nan 0.000 0.521 565 G N 0.762 109.620 108.800 0.098 0.000 2.166 565 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.260 565 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.260 565 G C -0.030 174.910 174.900 0.067 0.000 0.986 565 G CA 0.242 45.386 45.100 0.072 0.000 0.683 565 G HN 0.751 nan 8.290 nan 0.000 0.527 566 A N -0.348 122.542 122.820 0.117 0.000 2.355 566 A HA 0.685 5.005 4.320 -0.000 0.000 0.317 566 A C -0.705 176.920 177.584 0.069 0.000 1.094 566 A CA -0.485 51.586 52.037 0.058 0.000 0.764 566 A CB 1.249 20.320 19.000 0.118 0.000 1.230 566 A HN 0.097 nan 8.150 nan 0.000 0.448 567 D N 0.824 121.147 120.400 -0.129 0.000 2.177 567 D HA 0.562 5.202 4.640 -0.000 0.000 0.247 567 D C -1.270 174.846 176.300 -0.307 0.000 1.063 567 D CA 0.505 54.465 54.000 -0.067 0.000 0.867 567 D CB 0.835 41.606 40.800 -0.049 0.000 1.168 567 D HN 0.290 nan 8.370 nan 0.000 0.445 568 F N 2.372 122.385 119.950 0.104 0.000 2.564 568 F HA 0.302 4.829 4.527 0.000 0.000 0.368 568 F C -2.156 173.702 175.800 0.097 0.000 1.127 568 F CA -2.115 55.976 58.000 0.151 0.000 1.170 568 F CB 1.656 40.797 39.000 0.235 0.000 1.397 568 F HN -0.039 nan 8.300 nan 0.000 0.493 569 P HA 0.105 nan 4.420 nan 0.000 0.266 569 P C -0.582 176.767 177.300 0.081 0.000 1.215 569 P CA 0.297 63.453 63.100 0.094 0.000 0.763 569 P CB 1.262 32.992 31.700 0.050 0.000 0.806 570 V N 3.833 123.767 119.914 0.033 0.000 3.007 570 V HA 0.488 4.608 4.120 -0.000 0.000 0.311 570 V C -0.292 175.798 176.094 -0.007 0.000 1.120 570 V CA -0.309 61.937 62.300 -0.090 0.000 0.980 570 V CB 2.968 34.636 31.823 -0.258 0.000 1.033 570 V HN 0.340 nan 8.190 nan 0.000 0.429 571 T N 4.896 119.424 114.554 -0.044 0.000 2.829 571 T HA 0.677 5.027 4.350 -0.000 0.000 0.280 571 T C -0.733 173.989 174.700 0.037 0.000 0.999 571 T CA -0.194 61.926 62.100 0.033 0.000 0.983 571 T CB 0.906 69.785 68.868 0.018 0.000 0.968 571 T HN 0.404 nan 8.240 nan 0.000 0.446 572 I N 2.440 123.080 120.570 0.116 0.000 2.493 572 I HA 0.739 4.909 4.170 -0.000 0.000 0.298 572 I C -0.138 176.019 176.117 0.067 0.000 0.998 572 I CA -1.098 60.248 61.300 0.078 0.000 1.137 572 I CB 1.814 39.871 38.000 0.096 0.000 1.310 572 I HN 0.639 nan 8.210 nan 0.000 0.445 573 A N 4.740 127.581 122.820 0.035 0.000 2.385 573 A HA 0.883 5.203 4.320 -0.000 0.000 0.290 573 A C -0.935 176.655 177.584 0.010 0.000 1.094 573 A CA -0.426 51.627 52.037 0.026 0.000 0.729 573 A CB 1.451 20.464 19.000 0.023 0.000 1.194 573 A HN 0.830 nan 8.150 nan 0.000 0.442 574 A N 2.043 124.861 122.820 -0.004 0.000 2.454 574 A HA 0.806 5.125 4.320 -0.000 0.000 0.302 574 A C -0.334 177.206 177.584 -0.074 0.000 1.079 574 A CA -0.228 51.792 52.037 -0.027 0.000 0.731 574 A CB 1.661 20.647 19.000 -0.023 0.000 1.299 574 A HN 0.738 nan 8.150 nan 0.000 0.413 575 D N -1.499 118.844 120.400 -0.096 0.000 3.361 575 D HA 0.273 4.913 4.640 -0.000 0.000 0.202 575 D C 0.803 176.884 176.300 -0.366 0.000 1.208 575 D CA 0.340 54.209 54.000 -0.219 0.000 1.397 575 D CB 0.452 41.202 40.800 -0.082 0.000 0.948 575 D HN 0.527 nan 8.370 nan 0.000 0.167 576 H N -0.877 118.203 119.070 0.017 0.000 2.657 576 H HA 0.213 4.769 4.556 -0.000 0.000 0.262 576 H C 0.744 176.081 175.328 0.015 0.000 0.965 576 H CA 0.491 56.547 56.048 0.014 0.000 1.184 576 H CB 0.451 30.220 29.762 0.011 0.000 1.443 576 H HN 0.175 nan 8.280 nan 0.000 0.462 577 D N 0.629 121.105 120.400 0.127 0.000 2.077 577 D HA 0.012 4.652 4.640 -0.000 0.000 0.196 577 D C 1.557 177.887 176.300 0.051 0.000 0.986 577 D CA 1.647 55.694 54.000 0.077 0.000 0.829 577 D CB 0.265 41.101 40.800 0.061 0.000 0.983 577 D HN 0.404 nan 8.370 nan 0.000 0.453 578 G N -1.577 107.244 108.800 0.036 0.000 2.894 578 G HA2 0.488 4.448 3.960 -0.000 0.000 0.164 578 G HA3 0.488 4.448 3.960 -0.000 0.000 0.164 578 G C -1.304 173.604 174.900 0.012 0.000 1.180 578 G CA -0.077 45.038 45.100 0.026 0.000 0.997 578 G HN 0.130 nan 8.290 nan 0.000 0.572 579 S N -1.230 114.477 115.700 0.011 0.000 2.540 579 S HA 0.662 5.132 4.470 -0.000 0.000 0.275 579 S C -1.311 173.294 174.600 0.009 0.000 1.123 579 S CA -0.330 57.873 58.200 0.004 0.000 0.907 579 S CB 1.813 65.012 63.200 -0.002 0.000 1.081 579 S HN 0.619 nan 8.310 nan 0.000 0.476 580 T N 3.482 118.042 114.554 0.010 0.000 2.821 580 T HA 0.432 4.782 4.350 -0.000 0.000 0.307 580 T C -0.609 174.094 174.700 0.006 0.000 1.034 580 T CA -0.351 61.760 62.100 0.019 0.000 0.953 580 T CB 0.759 69.642 68.868 0.026 0.000 0.968 580 T HN 0.438 nan 8.240 nan 0.000 0.462 581 V N 3.948 123.858 119.914 -0.006 0.000 2.432 581 V HA 0.445 4.565 4.120 -0.000 0.000 0.275 581 V C 0.230 176.272 176.094 -0.086 0.000 1.043 581 V CA -0.594 61.651 62.300 -0.092 0.000 0.925 581 V CB 1.304 33.020 31.823 -0.177 0.000 0.985 581 V HN 0.924 nan 8.190 nan 0.000 0.466 582 S N 5.078 120.700 115.700 -0.129 0.000 2.473 582 S HA 0.783 5.253 4.470 -0.000 0.000 0.307 582 S C -0.750 173.790 174.600 -0.100 0.000 1.094 582 S CA -0.476 57.724 58.200 -0.001 0.000 1.070 582 S CB 1.142 64.368 63.200 0.043 0.000 1.019 582 S HN 0.389 nan 8.310 nan 0.000 0.480 583 F N 1.124 121.121 119.950 0.078 0.000 2.457 583 F HA 0.389 4.916 4.527 -0.000 0.000 0.330 583 F C 1.189 177.032 175.800 0.072 0.000 1.069 583 F CA -1.176 56.883 58.000 0.100 0.000 1.009 583 F CB 0.398 39.477 39.000 0.132 0.000 1.276 583 F HN 0.438 nan 8.300 nan 0.000 0.492 587 G N 0.846 109.712 108.800 0.110 0.000 2.225 587 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.254 587 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.254 587 G C 0.457 175.424 174.900 0.112 0.000 0.988 587 G CA 0.694 45.850 45.100 0.094 0.000 0.625 587 G HN 1.264 nan 8.290 nan 0.000 0.527 588 S N -0.257 115.522 115.700 0.131 0.000 2.585 588 S HA 0.702 5.172 4.470 -0.000 0.000 0.273 588 S C 0.039 174.787 174.600 0.246 0.000 1.339 588 S CA 0.659 58.932 58.200 0.123 0.000 1.028 588 S CB 1.927 65.146 63.200 0.032 0.000 0.906 588 S HN 1.086 nan 8.310 nan 0.000 0.528 589 S N 2.044 117.863 115.700 0.198 0.000 2.572 589 S HA 0.483 4.953 4.470 -0.000 0.000 0.274 589 S C -0.634 174.080 174.600 0.190 0.000 1.150 589 S CA -0.791 57.550 58.200 0.235 0.000 0.944 589 S CB 1.158 64.440 63.200 0.137 0.000 1.071 589 S HN 0.767 nan 8.310 nan 0.000 0.479 590 M N 2.191 121.943 119.600 0.253 0.000 2.537 590 M HA 0.571 5.051 4.480 -0.000 0.000 0.324 590 M C -0.229 176.133 176.300 0.102 0.000 1.187 590 M CA -0.776 54.624 55.300 0.167 0.000 0.993 590 M CB 1.490 34.224 32.600 0.224 0.000 1.666 590 M HN 0.480 nan 8.290 nan 0.000 0.461 591 R N 1.486 122.024 120.500 0.064 0.000 2.343 591 R HA 0.589 4.929 4.340 -0.000 0.000 0.320 591 R C -1.882 174.435 176.300 0.029 0.000 0.956 591 R CA -0.404 55.720 56.100 0.041 0.000 0.836 591 R CB 0.914 31.235 30.300 0.034 0.000 1.151 591 R HN 0.562 nan 8.270 nan 0.000 0.450 592 V N 3.430 123.355 119.914 0.019 0.000 2.472 592 V HA 0.583 4.703 4.120 -0.000 0.000 0.290 592 V C 0.003 176.104 176.094 0.011 0.000 1.037 592 V CA -0.610 61.694 62.300 0.007 0.000 0.908 592 V CB 1.807 33.624 31.823 -0.010 0.000 0.985 592 V HN 0.810 nan 8.190 nan 0.000 0.454 593 T N 2.864 117.425 114.554 0.011 0.000 2.916 593 T HA 0.685 5.035 4.350 -0.000 0.000 0.298 593 T C -0.849 173.868 174.700 0.028 0.000 1.031 593 T CA -0.283 61.830 62.100 0.022 0.000 0.993 593 T CB 1.611 70.492 68.868 0.021 0.000 1.045 593 T HN 0.867 nan 8.240 nan 0.000 0.454 594 S N 1.530 117.259 115.700 0.049 0.000 2.567 594 S HA 0.348 4.818 4.470 -0.000 0.000 0.270 594 S C -0.246 174.409 174.600 0.091 0.000 1.152 594 S CA -0.485 57.759 58.200 0.074 0.000 0.835 594 S CB 1.909 65.168 63.200 0.099 0.000 1.115 594 S HN 0.720 nan 8.310 nan 0.000 0.459 595 D N 1.282 121.741 120.400 0.098 0.000 2.271 595 D HA 0.067 4.707 4.640 -0.000 0.000 0.206 595 D C 0.589 176.941 176.300 0.088 0.000 0.967 595 D CA 0.043 54.085 54.000 0.071 0.000 0.867 595 D CB 0.013 40.845 40.800 0.053 0.000 0.960 595 D HN 0.539 nan 8.370 nan 0.000 0.509 596 W N 1.705 122.985 121.300 -0.034 0.000 2.576 596 W HA 0.102 4.762 4.660 -0.000 0.000 0.339 596 W C -0.401 176.101 176.519 -0.028 0.000 1.170 596 W CA 0.966 58.287 57.345 -0.039 0.000 1.370 596 W CB 0.308 29.732 29.460 -0.060 0.000 1.187 596 W HN -0.076 nan 8.180 nan 0.000 0.584 597 T N 5.807 119.489 114.554 -1.454 0.000 2.957 597 T HA 0.303 4.653 4.350 -0.000 0.000 0.336 597 T C -2.669 171.087 174.700 -1.572 0.000 1.462 597 T CA -1.077 60.340 62.100 -1.139 0.000 1.073 597 T CB 1.466 70.026 68.868 -0.513 0.000 1.319 597 T HN 0.142 nan 8.240 nan 0.000 0.485 598 P HA 0.229 nan 4.420 nan 0.000 0.264 598 P C 0.935 177.975 177.300 -0.433 0.000 1.173 598 P CA 1.934 64.777 63.100 -0.428 0.000 0.761 598 P CB 0.233 31.857 31.700 -0.127 0.000 0.794 599 G N 1.954 110.616 108.800 -0.231 0.000 2.258 599 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.233 599 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.233 599 G C -0.245 174.586 174.900 -0.115 0.000 1.006 599 G CA -0.229 44.797 45.100 -0.122 0.000 0.620 599 G HN 0.536 nan 8.290 nan 0.000 0.511 600 D N 1.194 121.384 120.400 -0.350 0.000 2.417 600 D HA 0.445 5.085 4.640 -0.000 0.000 0.250 600 D C 1.556 178.041 176.300 0.309 0.000 1.166 600 D CA 0.133 54.076 54.000 -0.096 0.000 0.881 600 D CB 0.890 41.539 40.800 -0.251 0.000 1.164 600 D HN 0.552 nan 8.370 nan 0.000 0.467 601 Q N 0.815 120.733 119.800 0.197 0.000 2.435 601 Q HA 0.092 4.432 4.340 -0.000 0.000 0.207 601 Q C 0.001 176.108 176.000 0.178 0.000 0.956 601 Q CA 0.323 56.244 55.803 0.197 0.000 0.917 601 Q CB 0.367 29.171 28.738 0.110 0.000 0.997 601 Q HN 0.301 nan 8.270 nan 0.000 0.497 602 L N -0.162 121.181 121.223 0.201 0.000 2.386 602 L HA 0.662 5.002 4.340 -0.000 0.000 0.271 602 L C -1.711 175.268 176.870 0.182 0.000 0.993 602 L CA -0.756 54.154 54.840 0.117 0.000 0.819 602 L CB 1.963 44.058 42.059 0.061 0.000 1.294 602 L HN -0.132 nan 8.230 nan 0.000 0.414 603 A N 3.660 126.507 122.820 0.044 0.000 2.311 603 A HA 0.666 4.986 4.320 -0.000 0.000 0.306 603 A C -1.090 176.489 177.584 -0.008 0.000 1.189 603 A CA -0.676 51.388 52.037 0.046 0.000 0.791 603 A CB 0.396 19.227 19.000 -0.281 0.000 1.172 603 A HN 0.670 nan 8.150 nan 0.000 0.481 604 N N 2.934 121.661 118.700 0.044 0.000 2.589 604 N HA 0.437 5.177 4.740 -0.000 0.000 0.232 604 N C -0.864 174.653 175.510 0.012 0.000 1.015 604 N CA 0.024 53.082 53.050 0.013 0.000 0.931 604 N CB 1.017 39.517 38.487 0.022 0.000 1.150 604 N HN 0.509 nan 8.380 nan 0.000 0.512 605 L N 0.916 122.125 121.223 -0.023 0.000 2.376 605 L HA 0.617 4.957 4.340 -0.000 0.000 0.267 605 L C 0.262 177.122 176.870 -0.017 0.000 1.035 605 L CA -0.737 54.089 54.840 -0.023 0.000 0.800 605 L CB 0.785 42.805 42.059 -0.064 0.000 1.290 605 L HN 0.254 nan 8.230 nan 0.000 0.462 606 M N 1.233 120.827 119.600 -0.011 0.000 1.996 606 M HA 0.440 4.920 4.480 -0.000 0.000 0.268 606 M C -1.656 174.641 176.300 -0.005 0.000 0.888 606 M CA -0.214 55.083 55.300 -0.006 0.000 0.939 606 M CB 1.059 33.661 32.600 0.003 0.000 1.736 606 M HN 0.150 nan 8.290 nan 0.000 0.407 607 V N 4.094 124.001 119.914 -0.011 0.000 2.394 607 V HA 0.381 4.501 4.120 -0.000 0.000 0.282 607 V C 0.080 176.176 176.094 0.002 0.000 1.031 607 V CA -0.553 61.745 62.300 -0.002 0.000 0.881 607 V CB 1.427 33.245 31.823 -0.009 0.000 0.982 607 V HN 0.819 nan 8.190 nan 0.000 0.451 608 D N 4.460 124.868 120.400 0.013 0.000 2.697 608 D HA -0.193 4.447 4.640 -0.000 0.000 0.238 608 D C 1.438 177.740 176.300 0.004 0.000 1.152 608 D CA 1.499 55.506 54.000 0.011 0.000 0.666 608 D CB -0.987 39.817 40.800 0.006 0.000 1.037 608 D HN 1.312 nan 8.370 nan 0.000 0.423 609 G N -0.863 107.940 108.800 0.005 0.000 2.300 609 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.267 609 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.267 609 G C 0.518 175.416 174.900 -0.003 0.000 0.980 609 G CA 1.088 46.189 45.100 0.002 0.000 0.635 609 G HN 1.296 nan 8.290 nan 0.000 0.552 610 A N 0.736 123.552 122.820 -0.007 0.000 2.276 610 A HA 0.746 5.066 4.320 -0.000 0.000 0.316 610 A C -2.037 175.539 177.584 -0.013 0.000 1.229 610 A CA -1.417 50.614 52.037 -0.011 0.000 0.851 610 A CB 1.099 20.091 19.000 -0.014 0.000 1.165 610 A HN 0.117 nan 8.150 nan 0.000 0.513 611 P HA 0.194 nan 4.420 nan 0.000 0.265 611 P C -0.874 176.413 177.300 -0.022 0.000 1.193 611 P CA 0.256 63.347 63.100 -0.015 0.000 0.765 611 P CB 0.405 32.098 31.700 -0.012 0.000 0.823 612 L N 5.555 126.760 121.223 -0.029 0.000 2.457 612 L HA 0.395 4.734 4.340 -0.000 0.000 0.266 612 L C -1.390 175.450 176.870 -0.050 0.000 0.979 612 L CA -0.497 54.318 54.840 -0.042 0.000 0.857 612 L CB 1.541 43.568 42.059 -0.054 0.000 1.213 612 L HN 0.008 nan 8.230 nan 0.000 0.418 613 V N 6.361 126.250 119.914 -0.041 0.000 2.394 613 V HA 0.551 4.671 4.120 -0.000 0.000 0.282 613 V C 0.104 176.163 176.094 -0.058 0.000 1.031 613 V CA -0.317 61.957 62.300 -0.042 0.000 0.881 613 V CB 1.505 33.316 31.823 -0.020 0.000 0.982 613 V HN 0.678 nan 8.190 nan 0.000 0.451 614 L N 4.772 125.939 121.223 -0.093 0.000 2.323 614 L HA 0.652 4.992 4.340 -0.000 0.000 0.265 614 L C -0.269 176.537 176.870 -0.107 0.000 1.012 614 L CA -0.876 53.890 54.840 -0.125 0.000 0.820 614 L CB 2.231 44.153 42.059 -0.228 0.000 1.334 614 L HN 0.438 nan 8.230 nan 0.000 0.427 615 K N 1.471 121.819 120.400 -0.086 0.000 2.307 615 K HA 0.606 4.926 4.320 -0.000 0.000 0.263 615 K C -1.260 175.287 176.600 -0.089 0.000 0.973 615 K CA -0.575 55.688 56.287 -0.040 0.000 0.846 615 K CB 2.174 34.685 32.500 0.018 0.000 1.100 615 K HN 0.234 nan 8.250 nan 0.000 0.438 616 V N 1.129 120.990 119.914 -0.090 0.000 2.630 616 V HA 0.751 4.871 4.120 -0.000 0.000 0.305 616 V C 0.409 176.543 176.094 0.067 0.000 1.046 616 V CA -0.885 61.341 62.300 -0.124 0.000 0.934 616 V CB 1.812 33.392 31.823 -0.405 0.000 1.003 616 V HN 0.931 nan 8.190 nan 0.000 0.451 617 G N 1.702 110.573 108.800 0.119 0.000 2.706 617 G HA2 0.577 4.537 3.960 -0.000 0.000 0.297 617 G HA3 0.577 4.537 3.960 -0.000 0.000 0.297 617 G C -1.327 173.710 174.900 0.230 0.000 1.403 617 G CA -0.870 44.327 45.100 0.162 0.000 0.954 617 G HN 0.592 nan 8.290 nan 0.000 0.500 618 K N 0.066 120.577 120.400 0.186 0.000 2.202 618 K HA 0.658 4.978 4.320 -0.000 0.000 0.264 618 K C -0.357 176.280 176.600 0.061 0.000 1.010 618 K CA 0.045 56.409 56.287 0.129 0.000 0.940 618 K CB 0.992 33.548 32.500 0.094 0.000 0.983 618 K HN 0.363 nan 8.250 nan 0.000 0.475 619 I N 0.234 120.804 120.570 0.001 0.000 2.908 619 I HA 0.042 4.212 4.170 -0.000 0.000 0.300 619 I C 0.045 176.153 176.117 -0.015 0.000 1.385 619 I CA -0.711 60.582 61.300 -0.012 0.000 1.004 619 I CB 2.190 40.155 38.000 -0.059 0.000 1.309 619 I HN 0.613 nan 8.210 nan 0.000 0.449 624 G N -0.260 108.467 108.800 -0.122 0.000 2.439 624 G HA2 0.517 4.477 3.960 -0.000 0.000 0.186 624 G HA3 0.517 4.477 3.960 -0.000 0.000 0.186 624 G C -1.232 173.354 174.900 -0.524 0.000 1.260 624 G CA 0.021 44.881 45.100 -0.400 0.000 1.020 624 G HN 0.782 nan 8.290 nan 0.000 0.470 625 F N -0.607 119.300 119.950 -0.070 0.000 2.664 625 F HA 0.849 5.376 4.527 0.000 0.000 0.329 625 F C 0.235 175.965 175.800 -0.116 0.000 1.090 625 F CA -1.412 56.542 58.000 -0.077 0.000 0.978 625 F CB 1.517 40.472 39.000 -0.076 0.000 1.378 625 F HN 0.537 nan 8.300 nan 0.000 0.495 626 R N 1.561 122.159 120.500 0.163 0.000 2.215 626 R HA 0.650 4.990 4.340 -0.000 0.000 0.336 626 R C -1.754 174.554 176.300 0.013 0.000 0.996 626 R CA -0.354 55.774 56.100 0.047 0.000 0.847 626 R CB 0.203 30.522 30.300 0.032 0.000 1.127 626 R HN 0.633 nan 8.270 nan 0.000 0.465 627 I N 3.737 124.293 120.570 -0.024 0.000 2.460 627 I HA 0.415 4.585 4.170 -0.000 0.000 0.298 627 I C -0.148 175.946 176.117 -0.038 0.000 0.989 627 I CA -0.576 60.675 61.300 -0.081 0.000 1.173 627 I CB 1.828 39.750 38.000 -0.131 0.000 1.338 627 I HN 0.527 nan 8.210 nan 0.000 0.456 628 R N 3.254 123.734 120.500 -0.033 0.000 2.502 628 R HA 0.587 4.927 4.340 -0.000 0.000 0.298 628 R C -0.129 176.176 176.300 0.007 0.000 1.018 628 R CA -0.302 55.806 56.100 0.013 0.000 0.899 628 R CB 1.763 32.093 30.300 0.049 0.000 1.181 628 R HN 0.734 nan 8.270 nan 0.000 0.444 629 T N 0.964 115.528 114.554 0.018 0.000 3.610 629 T HA 0.232 4.582 4.350 -0.000 0.000 0.209 629 T C 0.810 175.535 174.700 0.043 0.000 0.889 629 T CA -0.078 62.029 62.100 0.012 0.000 1.469 629 T CB -0.013 68.852 68.868 -0.005 0.000 1.557 629 T HN 0.206 nan 8.240 nan 0.000 0.431 630 R N 0.763 121.296 120.500 0.055 0.000 0.889 630 R HA 0.534 4.874 4.340 -0.000 0.000 0.066 630 R C 2.322 178.696 176.300 0.123 0.000 0.815 630 R CA 0.525 56.670 56.100 0.074 0.000 2.116 630 R CB -1.048 29.294 30.300 0.070 0.000 0.734 630 R HN 0.430 nan 8.270 nan 0.000 0.766 631 G N 0.278 109.180 108.800 0.170 0.000 2.653 631 G HA2 0.001 3.961 3.960 -0.000 0.000 0.212 631 G HA3 0.001 3.961 3.960 -0.000 0.000 0.212 631 G C 0.272 175.338 174.900 0.277 0.000 1.138 631 G CA 0.543 45.827 45.100 0.308 0.000 0.782 631 G HN 0.597 nan 8.290 nan 0.000 0.535 632 A N 0.126 123.046 122.820 0.167 0.000 2.507 632 A HA 0.438 4.758 4.320 -0.000 0.000 0.235 632 A C 0.230 177.876 177.584 0.104 0.000 1.070 632 A CA 0.372 52.477 52.037 0.113 0.000 0.768 632 A CB 0.348 19.387 19.000 0.066 0.000 1.011 632 A HN 0.235 nan 8.150 nan 0.000 0.502 633 D N 0.756 121.194 120.400 0.063 0.000 2.484 633 D HA 0.294 4.934 4.640 -0.000 0.000 0.223 633 D C -1.229 175.071 176.300 -0.000 0.000 1.350 633 D CA -0.206 53.814 54.000 0.033 0.000 0.940 633 D CB -0.313 40.506 40.800 0.032 0.000 1.525 633 D HN 0.697 nan 8.370 nan 0.000 0.504 634 L N -0.939 120.283 121.223 -0.001 0.000 2.393 634 L HA 0.684 5.024 4.340 -0.000 0.000 0.260 634 L C -0.423 176.437 176.870 -0.016 0.000 1.002 634 L CA -1.112 53.724 54.840 -0.005 0.000 0.818 634 L CB 2.032 44.098 42.059 0.013 0.000 1.369 634 L HN -0.181 nan 8.230 nan 0.000 0.412 635 K N 1.773 122.156 120.400 -0.029 0.000 2.383 635 K HA 0.404 4.724 4.320 -0.000 0.000 0.286 635 K C -0.903 175.639 176.600 -0.096 0.000 1.051 635 K CA -0.374 55.856 56.287 -0.096 0.000 0.974 635 K CB 1.493 33.918 32.500 -0.125 0.000 0.968 635 K HN 0.405 nan 8.250 nan 0.000 0.475 636 V N 4.853 124.711 119.914 -0.094 0.000 2.357 636 V HA 0.107 4.227 4.120 -0.000 0.000 0.284 636 V C -0.141 175.903 176.094 -0.084 0.000 1.018 636 V CA -0.847 61.449 62.300 -0.007 0.000 0.841 636 V CB 0.792 32.658 31.823 0.072 0.000 0.991 636 V HN 0.685 nan 8.190 nan 0.000 0.437 637 H N 3.473 122.581 119.070 0.063 0.000 2.517 637 H HA 0.448 5.004 4.556 -0.000 0.000 0.317 637 H C -0.692 174.630 175.328 -0.010 0.000 1.080 637 H CA -0.261 55.797 56.048 0.017 0.000 1.301 637 H CB 2.162 31.938 29.762 0.024 0.000 1.425 637 H HN 0.403 nan 8.280 nan 0.000 0.471 638 V N 6.244 126.150 119.914 -0.015 0.000 2.275 638 V HA 0.316 4.436 4.120 -0.000 0.000 0.272 638 V C 0.477 176.482 176.094 -0.148 0.000 1.028 638 V CA -0.466 61.734 62.300 -0.167 0.000 0.810 638 V CB 0.473 32.008 31.823 -0.479 0.000 1.043 638 V HN 0.629 nan 8.190 nan 0.000 0.453 639 R N 1.694 122.253 120.500 0.098 0.000 2.856 639 R HA 0.730 5.070 4.340 -0.000 0.000 0.258 639 R C 0.287 176.699 176.300 0.186 0.000 1.066 639 R CA -0.629 55.565 56.100 0.157 0.000 1.045 639 R CB 1.957 32.298 30.300 0.069 0.000 1.178 639 R HN 0.701 nan 8.270 nan 0.000 0.499 640 T N -1.583 112.974 114.554 0.005 0.000 2.899 640 T HA 0.219 4.569 4.350 -0.000 0.000 0.284 640 T C -1.685 172.918 174.700 -0.161 0.000 1.004 640 T CA -1.718 60.209 62.100 -0.288 0.000 1.043 640 T CB 1.254 69.882 68.868 -0.401 0.000 1.013 640 T HN 0.301 nan 8.240 nan 0.000 0.518 641 P HA -0.238 nan 4.420 nan 0.000 0.217 641 P C 1.412 178.660 177.300 -0.086 0.000 1.158 641 P CA 1.356 64.388 63.100 -0.113 0.000 0.887 641 P CB 0.111 31.736 31.700 -0.124 0.000 0.792 642 R N -0.267 120.176 120.500 -0.095 0.000 2.153 642 R HA -0.071 4.269 4.340 -0.000 0.000 0.218 642 R C 2.534 178.803 176.300 -0.052 0.000 1.072 642 R CA 0.908 56.968 56.100 -0.066 0.000 0.990 642 R CB -0.223 30.039 30.300 -0.064 0.000 0.889 642 R HN 0.175 nan 8.270 nan 0.000 0.452 643 Q N -0.170 119.598 119.800 -0.054 0.000 1.990 643 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 643 Q C 2.071 178.052 176.000 -0.033 0.000 0.980 643 Q CA 2.024 57.808 55.803 -0.030 0.000 0.832 643 Q CB -0.129 28.605 28.738 -0.008 0.000 0.897 643 Q HN 0.405 nan 8.270 nan 0.000 0.427 644 A N 0.953 123.754 122.820 -0.032 0.000 1.865 644 A HA -0.323 3.997 4.320 -0.000 0.000 0.217 644 A C 1.913 179.475 177.584 -0.037 0.000 1.191 644 A CA 1.944 53.962 52.037 -0.032 0.000 0.623 644 A CB -0.920 18.070 19.000 -0.016 0.000 0.826 644 A HN 0.574 nan 8.150 nan 0.000 0.444 645 E N -0.185 119.993 120.200 -0.037 0.000 2.086 645 E HA -0.248 4.102 4.350 -0.000 0.000 0.205 645 E C 1.931 178.511 176.600 -0.034 0.000 1.027 645 E CA 1.819 58.198 56.400 -0.035 0.000 0.830 645 E CB -0.285 29.393 29.700 -0.037 0.000 0.751 645 E HN 0.635 nan 8.360 nan 0.000 0.456 646 L N 0.026 121.228 121.223 -0.034 0.000 2.072 646 L HA -0.063 4.277 4.340 -0.000 0.000 0.205 646 L C 2.712 179.560 176.870 -0.037 0.000 1.079 646 L CA 0.761 55.583 54.840 -0.031 0.000 0.752 646 L CB -0.527 41.515 42.059 -0.028 0.000 0.906 646 L HN 0.236 nan 8.230 nan 0.000 0.436 647 A N 0.001 122.793 122.820 -0.047 0.000 2.076 647 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 647 A C 2.362 179.910 177.584 -0.060 0.000 1.160 647 A CA 1.421 53.419 52.037 -0.065 0.000 0.653 647 A CB -0.581 18.359 19.000 -0.101 0.000 0.801 647 A HN 0.320 nan 8.150 nan 0.000 0.455 648 R N -0.832 119.640 120.500 -0.047 0.000 2.189 648 R HA 0.116 4.456 4.340 -0.000 0.000 0.218 648 R C 1.351 177.633 176.300 -0.031 0.000 1.074 648 R CA 0.678 56.755 56.100 -0.038 0.000 0.991 648 R CB -0.210 30.071 30.300 -0.032 0.000 0.883 648 R HN 0.560 nan 8.270 nan 0.000 0.457 649 L N 0.232 121.437 121.223 -0.029 0.000 2.558 649 L HA 0.097 4.437 4.340 -0.000 0.000 0.225 649 L C 0.352 177.208 176.870 -0.023 0.000 1.128 649 L CA -0.143 54.683 54.840 -0.023 0.000 0.868 649 L CB -0.026 42.020 42.059 -0.021 0.000 1.006 649 L HN 0.108 nan 8.230 nan 0.000 0.454 650 M N 1.193 120.776 119.600 -0.028 0.000 2.219 650 M HA 0.227 4.707 4.480 -0.000 0.000 0.353 650 M C -1.903 174.384 176.300 -0.022 0.000 1.304 650 M CA -1.830 53.455 55.300 -0.026 0.000 1.115 650 M CB -0.485 32.094 32.600 -0.036 0.000 1.664 650 M HN -0.228 nan 8.290 nan 0.000 0.459 651 P HA 0.026 nan 4.420 nan 0.000 0.268 651 P C -0.318 176.975 177.300 -0.011 0.000 1.208 651 P CA -0.112 62.980 63.100 -0.012 0.000 0.777 651 P CB 0.520 32.215 31.700 -0.009 0.000 0.875 652 E N 2.611 122.806 120.200 -0.009 0.000 2.130 652 E HA 0.042 4.392 4.350 -0.000 0.000 0.284 652 E C -0.032 176.566 176.600 -0.003 0.000 1.018 652 E CA -0.807 55.589 56.400 -0.006 0.000 0.817 652 E CB 0.574 30.271 29.700 -0.005 0.000 1.078 652 E HN 0.260 nan 8.360 nan 0.000 0.396 653 K N 4.799 125.199 120.400 -0.001 0.000 2.447 653 K HA 0.054 4.374 4.320 -0.000 0.000 0.281 653 K C -0.591 176.008 176.600 -0.001 0.000 1.031 653 K CA 0.180 56.467 56.287 0.000 0.000 1.019 653 K CB 0.310 32.812 32.500 0.004 0.000 0.918 653 K HN 0.440 nan 8.250 nan 0.000 0.476 654 L N 5.248 126.470 121.223 -0.002 0.000 2.319 654 L HA 0.300 4.640 4.340 -0.000 0.000 0.281 654 L C -1.541 175.326 176.870 -0.005 0.000 1.005 654 L CA -2.160 52.678 54.840 -0.003 0.000 0.828 654 L CB 1.690 43.747 42.059 -0.003 0.000 1.227 654 L HN 0.719 nan 8.230 nan 0.000 0.415 655 P HA 0.035 nan 4.420 nan 0.000 0.272 655 P C -2.531 174.764 177.300 -0.009 0.000 1.210 655 P CA -0.605 62.490 63.100 -0.009 0.000 0.789 655 P CB -0.477 31.215 31.700 -0.013 0.000 0.849 656 P HA 0.225 nan 4.420 nan 0.000 0.279 656 P C -0.610 176.682 177.300 -0.012 0.000 1.282 656 P CA -0.233 62.862 63.100 -0.009 0.000 0.788 656 P CB 0.768 32.462 31.700 -0.009 0.000 1.139 657 D N -0.464 119.930 120.400 -0.010 0.000 2.193 657 D HA 0.334 4.974 4.640 -0.000 0.000 0.249 657 D C -0.215 176.075 176.300 -0.016 0.000 1.034 657 D CA 0.202 54.195 54.000 -0.011 0.000 0.902 657 D CB 1.209 42.006 40.800 -0.006 0.000 1.182 657 D HN 0.203 nan 8.370 nan 0.000 0.436 658 T N 0.382 114.923 114.554 -0.022 0.000 2.856 658 T HA 0.365 4.715 4.350 -0.000 0.000 0.283 658 T C 0.161 174.848 174.700 -0.021 0.000 1.008 658 T CA -0.724 61.357 62.100 -0.032 0.000 0.997 658 T CB 1.297 70.129 68.868 -0.061 0.000 0.992 658 T HN 0.377 nan 8.240 nan 0.000 0.454 659 S N 2.157 117.850 115.700 -0.012 0.000 2.610 659 S HA 0.383 4.853 4.470 -0.000 0.000 0.273 659 S C 0.505 175.117 174.600 0.020 0.000 1.274 659 S CA -0.756 57.451 58.200 0.013 0.000 1.023 659 S CB 0.973 64.188 63.200 0.025 0.000 0.962 659 S HN 0.644 nan 8.310 nan 0.000 0.523 660 K N 0.520 120.958 120.400 0.064 0.000 2.504 660 K HA 0.255 4.575 4.320 -0.000 0.000 0.199 660 K C -0.544 176.221 176.600 0.275 0.000 1.028 660 K CA 0.091 56.465 56.287 0.144 0.000 1.164 660 K CB -0.141 32.450 32.500 0.152 0.000 0.877 660 K HN 0.524 nan 8.250 nan 0.000 0.508 661 M N 1.597 121.304 119.600 0.178 0.000 2.125 661 M HA 0.198 4.678 4.480 -0.000 0.000 0.321 661 M C -1.286 175.111 176.300 0.163 0.000 0.983 661 M CA -0.959 54.446 55.300 0.174 0.000 0.934 661 M CB 1.385 34.041 32.600 0.092 0.000 1.542 661 M HN -0.103 nan 8.290 nan 0.000 0.424 662 L N 6.518 127.875 121.223 0.223 0.000 2.363 662 L HA 0.434 4.774 4.340 -0.000 0.000 0.286 662 L C -1.299 175.630 176.870 0.098 0.000 1.106 662 L CA 0.354 55.297 54.840 0.171 0.000 0.859 662 L CB -0.300 41.906 42.059 0.244 0.000 1.223 662 L HN 0.630 nan 8.230 nan 0.000 0.446 663 L N 4.447 125.710 121.223 0.068 0.000 2.375 663 L HA 0.297 4.637 4.340 -0.000 0.000 0.271 663 L C 0.299 177.194 176.870 0.041 0.000 1.107 663 L CA -0.615 54.253 54.840 0.047 0.000 0.806 663 L CB 1.104 43.185 42.059 0.036 0.000 1.146 663 L HN 0.631 nan 8.230 nan 0.000 0.447 664 C N 5.428 124.748 119.300 0.034 0.000 2.442 664 C HA 0.305 4.765 4.460 -0.000 0.000 0.362 664 C C -0.597 174.408 174.990 0.025 0.000 1.242 664 C CA -1.235 57.800 59.018 0.030 0.000 1.741 664 C CB -0.017 27.739 27.740 0.025 0.000 2.378 664 C HN 0.662 nan 8.230 nan 0.000 0.549 665 P HA 0.035 nan 4.420 nan 0.000 0.235 665 P C 0.162 177.473 177.300 0.018 0.000 1.177 665 P CA 0.900 64.012 63.100 0.020 0.000 0.785 665 P CB 0.050 31.762 31.700 0.020 0.000 0.885 666 M N -1.359 118.252 119.600 0.019 0.000 2.190 666 M HA 0.563 5.043 4.480 -0.000 0.000 0.312 666 M C -3.064 173.246 176.300 0.016 0.000 0.990 666 M CA -2.670 52.640 55.300 0.017 0.000 0.927 666 M CB 1.970 34.580 32.600 0.017 0.000 1.571 666 M HN -0.380 nan 8.290 nan 0.000 0.427 667 P HA 0.183 nan 4.420 nan 0.000 0.252 667 P C -0.049 177.259 177.300 0.013 0.000 1.635 667 P CA 0.534 63.642 63.100 0.013 0.000 1.206 667 P CB -0.192 31.515 31.700 0.012 0.000 1.911 668 G N 1.356 110.165 108.800 0.014 0.000 3.257 668 G HA2 0.621 4.581 3.960 -0.000 0.000 0.205 668 G HA3 0.621 4.581 3.960 -0.000 0.000 0.205 668 G C -1.531 173.378 174.900 0.014 0.000 1.234 668 G CA -0.632 44.477 45.100 0.014 0.000 0.918 668 G HN 0.420 nan 8.290 nan 0.000 0.602 669 L N 0.385 121.617 121.223 0.015 0.000 2.333 669 L HA 0.612 4.952 4.340 -0.000 0.000 0.280 669 L C -0.495 176.385 176.870 0.016 0.000 1.004 669 L CA -0.859 53.990 54.840 0.014 0.000 0.820 669 L CB 1.353 43.420 42.059 0.013 0.000 1.247 669 L HN 0.378 nan 8.230 nan 0.000 0.416 670 I N 6.089 126.668 120.570 0.015 0.000 2.576 670 I HA -0.024 4.146 4.170 -0.000 0.000 0.288 670 I C 0.996 177.123 176.117 0.017 0.000 1.126 670 I CA -0.007 61.303 61.300 0.017 0.000 1.362 670 I CB 1.209 39.218 38.000 0.014 0.000 1.419 670 I HN 0.617 nan 8.210 nan 0.000 0.533 671 V N 6.286 126.212 119.914 0.020 0.000 2.535 671 V HA -0.068 4.052 4.120 -0.000 0.000 0.246 671 V C 0.634 176.741 176.094 0.021 0.000 1.045 671 V CA 1.350 63.663 62.300 0.021 0.000 1.058 671 V CB -0.506 31.333 31.823 0.025 0.000 0.689 671 V HN 0.899 nan 8.190 nan 0.000 0.461 672 K N -0.990 119.423 120.400 0.022 0.000 2.598 672 K HA 0.490 4.810 4.320 -0.000 0.000 0.271 672 K C -2.037 174.575 176.600 0.020 0.000 0.947 672 K CA -0.705 55.594 56.287 0.020 0.000 0.854 672 K CB 2.102 34.616 32.500 0.024 0.000 1.401 672 K HN -0.200 nan 8.250 nan 0.000 0.415 673 V N 2.902 122.824 119.914 0.014 0.000 2.409 673 V HA 0.280 4.400 4.120 -0.000 0.000 0.291 673 V C -0.260 175.840 176.094 0.011 0.000 1.020 673 V CA -0.520 61.788 62.300 0.013 0.000 0.848 673 V CB 1.401 33.226 31.823 0.004 0.000 0.990 673 V HN 0.986 nan 8.190 nan 0.000 0.430 674 D N 3.096 123.506 120.400 0.017 0.000 2.463 674 D HA 0.179 4.819 4.640 -0.000 0.000 0.224 674 D C -0.145 176.164 176.300 0.015 0.000 1.174 674 D CA 0.073 54.081 54.000 0.013 0.000 0.829 674 D CB 1.406 42.216 40.800 0.018 0.000 0.993 674 D HN 0.315 nan 8.370 nan 0.000 0.497 675 V N 0.618 120.540 119.914 0.013 0.000 2.709 675 V HA 0.262 4.382 4.120 -0.000 0.000 0.308 675 V C -0.126 175.962 176.094 -0.011 0.000 1.062 675 V CA -0.892 61.415 62.300 0.012 0.000 0.901 675 V CB 2.737 34.579 31.823 0.033 0.000 1.003 675 V HN 0.005 nan 8.190 nan 0.000 0.425 676 E N 1.591 121.782 120.200 -0.014 0.000 2.239 676 E HA 0.586 4.936 4.350 -0.000 0.000 0.261 676 E C -0.986 175.588 176.600 -0.043 0.000 1.016 676 E CA -0.917 55.468 56.400 -0.026 0.000 0.882 676 E CB 2.195 31.884 29.700 -0.018 0.000 1.190 676 E HN 0.479 nan 8.360 nan 0.000 0.415 677 V N 0.851 120.736 119.914 -0.049 0.000 2.740 677 V HA 0.226 4.346 4.120 -0.000 0.000 0.303 677 V C 1.294 177.362 176.094 -0.043 0.000 1.054 677 V CA 0.729 62.992 62.300 -0.063 0.000 1.106 677 V CB 0.166 31.956 31.823 -0.055 0.000 0.957 677 V HN 1.053 nan 8.190 nan 0.000 0.486 678 G N 2.435 111.207 108.800 -0.047 0.000 2.153 678 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.252 678 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.252 678 G C 0.174 175.072 174.900 -0.004 0.000 0.994 678 G CA 0.663 45.751 45.100 -0.021 0.000 0.698 678 G HN 0.898 nan 8.290 nan 0.000 0.521 679 Q N -0.084 119.714 119.800 -0.003 0.000 2.260 679 Q HA 0.557 4.897 4.340 -0.000 0.000 0.238 679 Q C -0.017 176.014 176.000 0.051 0.000 0.948 679 Q CA -0.563 55.251 55.803 0.019 0.000 0.895 679 Q CB 0.665 29.413 28.738 0.017 0.000 1.218 679 Q HN 0.446 nan 8.270 nan 0.000 0.470 680 E N 1.845 122.080 120.200 0.058 0.000 2.166 680 E HA 0.400 4.750 4.350 -0.000 0.000 0.275 680 E C -1.309 175.343 176.600 0.086 0.000 0.941 680 E CA -0.777 55.670 56.400 0.079 0.000 0.784 680 E CB 1.402 31.136 29.700 0.056 0.000 1.115 680 E HN 0.456 nan 8.360 nan 0.000 0.399 681 V N 1.464 121.447 119.914 0.115 0.000 2.667 681 V HA 0.482 4.602 4.120 -0.000 0.000 0.308 681 V C -0.372 175.750 176.094 0.046 0.000 1.048 681 V CA -1.090 61.266 62.300 0.093 0.000 0.928 681 V CB 1.705 33.614 31.823 0.144 0.000 1.004 681 V HN 0.615 nan 8.190 nan 0.000 0.444 682 Q N 1.564 121.385 119.800 0.034 0.000 2.259 682 Q HA 0.278 4.618 4.340 -0.000 0.000 0.246 682 Q C 0.116 176.113 176.000 -0.004 0.000 0.920 682 Q CA -0.257 55.557 55.803 0.019 0.000 0.895 682 Q CB 1.358 30.111 28.738 0.025 0.000 1.220 682 Q HN 0.963 nan 8.270 nan 0.000 0.439 683 E N 0.514 120.705 120.200 -0.015 0.000 2.491 683 E HA 0.042 4.392 4.350 -0.000 0.000 0.250 683 E C 0.226 176.813 176.600 -0.021 0.000 1.061 683 E CA 0.946 57.325 56.400 -0.034 0.000 0.942 683 E CB -0.221 29.460 29.700 -0.032 0.000 0.957 683 E HN 0.840 nan 8.360 nan 0.000 0.480 684 G N 3.853 112.637 108.800 -0.026 0.000 2.159 684 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.227 684 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.227 684 G C 0.214 175.119 174.900 0.008 0.000 0.986 684 G CA 0.278 45.373 45.100 -0.008 0.000 0.651 684 G HN 0.596 nan 8.290 nan 0.000 0.523 685 Q N 0.504 120.312 119.800 0.013 0.000 2.327 685 Q HA 0.623 4.963 4.340 -0.000 0.000 0.254 685 Q C 0.841 176.865 176.000 0.040 0.000 0.952 685 Q CA 0.088 55.909 55.803 0.030 0.000 0.884 685 Q CB 0.817 29.578 28.738 0.037 0.000 1.224 685 Q HN 0.937 nan 8.270 nan 0.000 0.422 686 A N 4.668 127.514 122.820 0.043 0.000 2.545 686 A HA 0.082 4.402 4.320 -0.000 0.000 0.253 686 A C 0.361 177.981 177.584 0.059 0.000 1.074 686 A CA 0.201 52.267 52.037 0.048 0.000 0.760 686 A CB 0.030 19.057 19.000 0.045 0.000 1.005 686 A HN 0.933 nan 8.150 nan 0.000 0.506 687 L N 2.194 123.458 121.223 0.069 0.000 2.471 687 L HA 0.137 4.477 4.340 -0.000 0.000 0.186 687 L C 1.158 178.066 176.870 0.063 0.000 1.191 687 L CA 0.831 55.725 54.840 0.089 0.000 0.835 687 L CB -0.545 41.595 42.059 0.135 0.000 1.092 687 L HN 0.958 nan 8.230 nan 0.000 0.495 688 C N -2.719 116.616 119.300 0.058 0.000 3.277 688 C HA 0.816 5.276 4.460 -0.000 0.000 0.367 688 C C -0.216 174.799 174.990 0.040 0.000 1.949 688 C CA -0.612 58.432 59.018 0.043 0.000 1.428 688 C CB 1.700 29.463 27.740 0.039 0.000 2.409 688 C HN 0.294 nan 8.230 nan 0.000 0.460 689 T N 1.201 115.776 114.554 0.035 0.000 3.335 689 T HA 0.476 4.826 4.350 -0.000 0.000 0.321 689 T C -0.897 173.820 174.700 0.029 0.000 0.960 689 T CA 0.049 62.169 62.100 0.034 0.000 1.034 689 T CB 0.503 69.392 68.868 0.036 0.000 1.040 689 T HN 0.600 nan 8.240 nan 0.000 0.454 690 I N 2.249 122.836 120.570 0.028 0.000 2.385 690 I HA 0.408 4.578 4.170 -0.000 0.000 0.294 690 I C 0.541 176.672 176.117 0.023 0.000 0.988 690 I CA -0.793 60.522 61.300 0.025 0.000 1.265 690 I CB 1.638 39.652 38.000 0.024 0.000 1.388 690 I HN 0.534 nan 8.210 nan 0.000 0.480 691 E N 4.560 124.773 120.200 0.021 0.000 2.046 691 E HA 0.417 4.767 4.350 -0.000 0.000 0.279 691 E C 0.364 176.974 176.600 0.018 0.000 0.989 691 E CA -0.210 56.202 56.400 0.020 0.000 0.798 691 E CB 1.270 30.982 29.700 0.019 0.000 1.086 691 E HN 0.771 nan 8.360 nan 0.000 0.399 692 A N 4.878 127.709 122.820 0.018 0.000 1.822 692 A HA -0.006 4.314 4.320 -0.000 0.000 0.214 692 A C 1.031 178.624 177.584 0.014 0.000 1.245 692 A CA 1.010 53.057 52.037 0.016 0.000 0.608 692 A CB 0.112 19.122 19.000 0.017 0.000 0.896 692 A HN 0.714 nan 8.150 nan 0.000 0.457 693 M N -0.811 118.797 119.600 0.014 0.000 3.287 693 M HA 0.254 4.734 4.480 -0.000 0.000 0.336 693 M C -0.809 175.499 176.300 0.013 0.000 1.573 693 M CA -0.228 55.079 55.300 0.013 0.000 0.609 693 M CB 1.282 33.889 32.600 0.012 0.000 1.421 693 M HN 0.290 nan 8.290 nan 0.000 0.476 694 K N -0.610 119.798 120.400 0.014 0.000 3.338 694 K HA -0.112 4.208 4.320 -0.000 0.000 0.292 694 K C -0.830 175.780 176.600 0.016 0.000 1.268 694 K CA 0.687 56.983 56.287 0.014 0.000 0.853 694 K CB -1.497 31.011 32.500 0.013 0.000 1.342 694 K HN 0.595 nan 8.250 nan 0.000 0.501 695 M N 0.634 120.245 119.600 0.018 0.000 2.326 695 M HA 0.311 4.791 4.480 -0.000 0.000 0.292 695 M C -1.002 175.311 176.300 0.022 0.000 1.081 695 M CA -0.307 55.005 55.300 0.019 0.000 0.919 695 M CB 1.774 34.385 32.600 0.018 0.000 1.634 695 M HN 0.120 nan 8.290 nan 0.000 0.451 696 E N 2.381 122.596 120.200 0.025 0.000 2.259 696 E HA 0.373 4.723 4.350 -0.000 0.000 0.281 696 E C -1.084 175.533 176.600 0.028 0.000 1.027 696 E CA -0.167 56.250 56.400 0.028 0.000 0.838 696 E CB 0.763 30.482 29.700 0.032 0.000 1.066 696 E HN 0.580 nan 8.360 nan 0.000 0.401 697 N N 2.567 121.284 118.700 0.028 0.000 2.399 697 N HA 0.342 5.082 4.740 -0.000 0.000 0.280 697 N C -1.058 174.472 175.510 0.032 0.000 1.008 697 N CA -0.427 52.640 53.050 0.029 0.000 0.894 697 N CB 1.376 39.878 38.487 0.026 0.000 1.273 697 N HN 0.313 nan 8.380 nan 0.000 0.486 698 I N 2.865 123.455 120.570 0.034 0.000 2.312 698 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 698 I C -0.353 175.786 176.117 0.036 0.000 1.031 698 I CA -0.531 60.791 61.300 0.037 0.000 1.293 698 I CB 0.602 38.626 38.000 0.040 0.000 1.403 698 I HN 0.286 nan 8.210 nan 0.000 0.484 699 L N 7.828 129.074 121.223 0.039 0.000 2.334 699 L HA 0.559 4.899 4.340 -0.000 0.000 0.277 699 L C -0.025 176.872 176.870 0.046 0.000 1.075 699 L CA -0.530 54.335 54.840 0.041 0.000 0.804 699 L CB 0.946 43.033 42.059 0.048 0.000 1.174 699 L HN 0.624 nan 8.230 nan 0.000 0.438 700 R N 2.284 122.806 120.500 0.035 0.000 2.740 700 R HA 0.736 5.076 4.340 -0.000 0.000 0.273 700 R C -0.969 175.332 176.300 0.001 0.000 0.998 700 R CA -1.071 55.047 56.100 0.030 0.000 0.900 700 R CB 1.358 31.671 30.300 0.022 0.000 1.223 700 R HN 0.564 nan 8.270 nan 0.000 0.466 701 A N 1.352 124.165 122.820 -0.011 0.000 2.584 701 A HA -0.081 4.239 4.320 -0.000 0.000 0.239 701 A C 0.955 178.469 177.584 -0.117 0.000 1.043 701 A CA 0.290 52.261 52.037 -0.110 0.000 0.756 701 A CB 0.059 19.001 19.000 -0.097 0.000 0.963 701 A HN 1.004 nan 8.150 nan 0.000 0.511 702 E N 1.773 121.869 120.200 -0.174 0.000 2.046 702 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 702 E C 0.557 177.087 176.600 -0.115 0.000 0.982 702 E CA 1.703 58.029 56.400 -0.124 0.000 0.800 702 E CB 0.012 29.634 29.700 -0.130 0.000 0.756 702 E HN 0.778 nan 8.360 nan 0.000 0.449 703 K N -0.464 119.839 120.400 -0.161 0.000 2.477 703 K HA 0.400 4.720 4.320 -0.000 0.000 0.255 703 K C -1.179 175.339 176.600 -0.136 0.000 0.952 703 K CA -1.049 55.166 56.287 -0.119 0.000 0.826 703 K CB 1.560 34.001 32.500 -0.099 0.000 1.331 703 K HN -0.254 nan 8.250 nan 0.000 0.437 704 K N 0.687 121.043 120.400 -0.073 0.000 2.484 704 K HA 0.290 4.610 4.320 -0.000 0.000 0.280 704 K C 0.191 176.762 176.600 -0.047 0.000 1.013 704 K CA 0.339 56.600 56.287 -0.043 0.000 1.029 704 K CB 0.434 32.929 32.500 -0.008 0.000 0.902 704 K HN 0.825 nan 8.250 nan 0.000 0.481 705 G N 0.551 109.341 108.800 -0.017 0.000 2.606 705 G HA2 0.484 4.444 3.960 -0.000 0.000 0.300 705 G HA3 0.484 4.444 3.960 -0.000 0.000 0.300 705 G C -1.699 173.313 174.900 0.187 0.000 1.360 705 G CA -0.729 44.401 45.100 0.049 0.000 0.783 705 G HN 0.344 nan 8.290 nan 0.000 0.484 706 V N 0.438 120.513 119.914 0.268 0.000 2.487 706 V HA 0.409 4.529 4.120 -0.000 0.000 0.298 706 V C 0.282 176.501 176.094 0.208 0.000 1.028 706 V CA -0.718 61.715 62.300 0.222 0.000 0.860 706 V CB 1.656 33.543 31.823 0.108 0.000 0.991 706 V HN 0.668 nan 8.190 nan 0.000 0.427 707 V N 5.066 125.006 119.914 0.043 0.000 2.475 707 V HA 0.088 4.208 4.120 -0.000 0.000 0.292 707 V C 1.302 177.280 176.094 -0.192 0.000 1.003 707 V CA 1.134 63.259 62.300 -0.291 0.000 1.120 707 V CB 0.155 31.831 31.823 -0.244 0.000 0.937 707 V HN 1.115 nan 8.190 nan 0.000 0.476 708 A N 6.095 128.771 122.820 -0.240 0.000 1.832 708 A HA 0.155 4.475 4.320 -0.000 0.000 0.214 708 A C 0.884 178.386 177.584 -0.136 0.000 1.242 708 A CA 1.152 53.115 52.037 -0.123 0.000 0.603 708 A CB 0.083 19.035 19.000 -0.080 0.000 0.902 708 A HN 0.855 nan 8.150 nan 0.000 0.455 709 K N -1.222 119.075 120.400 -0.172 0.000 2.477 709 K HA 0.746 5.066 4.320 -0.000 0.000 0.255 709 K C -1.573 174.932 176.600 -0.159 0.000 0.952 709 K CA -0.653 55.555 56.287 -0.132 0.000 0.826 709 K CB 1.709 34.160 32.500 -0.081 0.000 1.331 709 K HN 0.229 nan 8.250 nan 0.000 0.437 710 I N 1.745 122.246 120.570 -0.114 0.000 2.648 710 I HA 0.313 4.483 4.170 -0.000 0.000 0.304 710 I C -0.600 175.482 176.117 -0.059 0.000 1.009 710 I CA -1.157 60.086 61.300 -0.095 0.000 1.114 710 I CB 1.885 39.839 38.000 -0.078 0.000 1.293 710 I HN 0.806 nan 8.210 nan 0.000 0.449 711 N N 4.833 123.508 118.700 -0.042 0.000 2.639 711 N HA 0.574 5.314 4.740 -0.000 0.000 0.265 711 N C -1.165 174.335 175.510 -0.016 0.000 1.689 711 N CA -0.392 52.642 53.050 -0.026 0.000 0.813 711 N CB 1.703 40.177 38.487 -0.023 0.000 1.353 711 N HN 0.658 nan 8.380 nan 0.000 0.510 712 A N 0.072 122.883 122.820 -0.015 0.000 2.574 712 A HA 0.676 4.996 4.320 -0.000 0.000 0.298 712 A C -1.169 176.410 177.584 -0.007 0.000 0.987 712 A CA -0.323 51.710 52.037 -0.007 0.000 0.678 712 A CB 0.531 19.530 19.000 -0.001 0.000 1.296 712 A HN 0.602 nan 8.150 nan 0.000 0.420 713 S N 0.232 115.930 115.700 -0.003 0.000 2.776 713 S HA 0.933 5.403 4.470 -0.000 0.000 0.292 713 S C 0.345 174.947 174.600 0.003 0.000 1.187 713 S CA -0.204 57.995 58.200 -0.002 0.000 0.834 713 S CB 0.735 63.932 63.200 -0.004 0.000 1.199 713 S HN 2.562 nan 8.310 nan 0.000 0.514 714 A N -0.108 122.715 122.820 0.004 0.000 2.615 714 A HA 0.445 4.765 4.320 -0.000 0.000 0.230 714 A C 1.723 179.311 177.584 0.007 0.000 1.062 714 A CA 0.779 52.820 52.037 0.007 0.000 0.758 714 A CB -1.581 17.423 19.000 0.007 0.000 0.995 714 A HN 2.662 nan 8.150 nan 0.000 0.511 715 G N 1.090 109.895 108.800 0.009 0.000 2.322 715 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.264 715 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.264 715 G C 0.382 175.286 174.900 0.008 0.000 0.992 715 G CA 0.890 45.995 45.100 0.008 0.000 0.624 715 G HN 1.044 nan 8.290 nan 0.000 0.543 716 N N 0.702 119.406 118.700 0.007 0.000 2.416 716 N HA 0.472 5.212 4.740 -0.000 0.000 0.246 716 N C -0.120 175.395 175.510 0.008 0.000 1.260 716 N CA 0.895 53.949 53.050 0.006 0.000 0.897 716 N CB 0.768 39.258 38.487 0.005 0.000 1.110 716 N HN 0.218 nan 8.380 nan 0.000 0.439 717 S N 0.993 116.698 115.700 0.008 0.000 2.745 717 S HA 0.450 4.920 4.470 -0.000 0.000 0.283 717 S C -0.685 173.920 174.600 0.009 0.000 1.170 717 S CA -0.820 57.385 58.200 0.009 0.000 1.119 717 S CB -0.091 63.114 63.200 0.008 0.000 1.035 717 S HN 0.393 nan 8.310 nan 0.000 0.483 718 L N 0.953 122.182 121.223 0.011 0.000 2.334 718 L HA 1.023 5.363 4.340 -0.000 0.000 0.276 718 L C 0.300 177.177 176.870 0.012 0.000 1.014 718 L CA -1.172 53.675 54.840 0.011 0.000 0.815 718 L CB 1.151 43.218 42.059 0.012 0.000 1.268 718 L HN 0.542 nan 8.230 nan 0.000 0.428 719 A N 2.289 125.115 122.820 0.011 0.000 2.336 719 A HA 0.592 4.912 4.320 -0.000 0.000 0.278 719 A C 0.258 177.850 177.584 0.013 0.000 1.371 719 A CA -0.416 51.628 52.037 0.012 0.000 0.842 719 A CB 0.626 19.632 19.000 0.010 0.000 1.363 719 A HN 0.586 nan 8.150 nan 0.000 0.517 720 V N -0.247 119.674 119.914 0.013 0.000 3.376 720 V HA 0.164 4.283 4.120 -0.000 0.000 0.303 720 V C 0.902 177.005 176.094 0.015 0.000 1.100 720 V CA 1.485 63.794 62.300 0.015 0.000 1.126 720 V CB 0.296 32.127 31.823 0.013 0.000 1.085 720 V HN 1.014 nan 8.190 nan 0.000 0.480 721 D N 0.407 120.817 120.400 0.017 0.000 2.729 721 D HA -0.178 4.462 4.640 -0.000 0.000 0.190 721 D C 0.290 176.602 176.300 0.020 0.000 1.089 721 D CA 1.727 55.738 54.000 0.019 0.000 1.041 721 D CB -0.970 39.839 40.800 0.016 0.000 1.112 721 D HN 0.831 nan 8.370 nan 0.000 0.413 722 D N 0.553 120.964 120.400 0.018 0.000 2.502 722 D HA 0.097 4.737 4.640 -0.000 0.000 0.249 722 D C 0.261 176.574 176.300 0.021 0.000 1.188 722 D CA 0.133 54.143 54.000 0.017 0.000 0.890 722 D CB 0.507 41.315 40.800 0.014 0.000 1.140 722 D HN -0.025 nan 8.370 nan 0.000 0.505 723 V N 4.676 124.603 119.914 0.021 0.000 2.458 723 V HA -0.064 4.056 4.120 -0.000 0.000 0.287 723 V C 1.751 177.857 176.094 0.019 0.000 1.009 723 V CA 0.280 62.595 62.300 0.026 0.000 1.091 723 V CB 0.200 32.037 31.823 0.022 0.000 0.960 723 V HN 0.496 nan 8.190 nan 0.000 0.476 724 I N 4.113 124.700 120.570 0.028 0.000 2.494 724 I HA 0.083 4.253 4.170 -0.000 0.000 0.250 724 I C 0.835 176.948 176.117 -0.006 0.000 1.112 724 I CA 1.213 62.524 61.300 0.019 0.000 1.438 724 I CB 0.081 38.103 38.000 0.037 0.000 1.111 724 I HN 0.525 nan 8.210 nan 0.000 0.431 725 M N -0.963 118.633 119.600 -0.007 0.000 2.683 725 M HA 0.390 4.869 4.480 -0.000 0.000 0.274 725 M C -1.369 174.866 176.300 -0.109 0.000 1.272 725 M CA -0.540 54.695 55.300 -0.107 0.000 0.833 725 M CB 3.107 35.587 32.600 -0.199 0.000 1.708 725 M HN -0.175 nan 8.290 nan 0.000 0.463 726 E N 0.569 120.619 120.200 -0.251 0.000 2.288 726 E HA 0.663 5.013 4.350 -0.000 0.000 0.268 726 E C -1.828 174.547 176.600 -0.374 0.000 0.885 726 E CA -0.563 55.749 56.400 -0.146 0.000 0.767 726 E CB 2.819 32.475 29.700 -0.072 0.000 1.220 726 E HN 0.332 nan 8.360 nan 0.000 0.427 727 F N 1.226 121.179 119.950 0.006 0.000 2.532 727 F HA 0.179 4.706 4.527 -0.000 0.000 0.321 727 F C 0.958 176.761 175.800 0.006 0.000 1.089 727 F CA -0.906 57.097 58.000 0.006 0.000 0.926 727 F CB 1.464 40.468 39.000 0.007 0.000 1.168 727 F HN 0.380 nan 8.300 nan 0.000 0.459 728 E N 0.000 120.288 120.200 0.147 0.000 2.725 728 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 728 E CA 0.000 56.453 56.400 0.088 0.000 0.976 728 E CB 0.000 29.733 29.700 0.056 0.000 0.812 728 E HN 0.000 nan 8.360 nan 0.000 0.440