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 1y2m_1_A DATA FIRST_RESID 26 DATA SEQUENCE ASTNLAVAGS HLPTTQVTQV DIVEKXLAAP TDSTLELDGY SLNLGDVVSA DATA SEQUENCE ARKGRPVRVK DSDEIRSKID KSVEFLRXXX XXXXXXXXXX XXXXXXXXTE DATA SEQUENCE DAISLQKALL EHQLCGVLPS SFDSFRLGRG LENSLPLEVV RGAXTIRVNS DATA SEQUENCE LTRGHSAVRL VVLEALTNFL NHGITPIVPL RGTISASGDL SPLSYIAAAI DATA SEQUENCE SGHPDSKVHV VHEGKEKILY AREAXALFNL EPVVLGPKEG LGLVNGTAVS DATA SEQUENCE ASXATLALHD AHXLSLLSQS LTAXTVEAXV GHAGSFHPFL HDVTRPHPTQ DATA SEQUENCE IEVAGNIRKL LEGSRFAVHH EEEVXXXXDE GILRQDRYPL RTSPQWLGPL DATA SEQUENCE VSDLIHAHAV LTIEAGQSTT DNPLIDVENK TSHHGGNFQA AAVANTXEKT DATA SEQUENCE RLGLAQIGKL NFTQLTEXLN AGXNRGLPSC LAAEDPSLSY HCKGLDIAAA DATA SEQUENCE AYTSELGHLA NPVTTHVQPA EXANQAVNSL ALISARRTTE SNDVLSLLLA DATA SEQUENCE THLYCVLQAI DLRAIEFEFK KQFGPAIVSL IDQHFGSAXT GSNLRDELVE DATA SEQUENCE KVNKTLAKRL EQTNSYDLVP RWHDAFSFAA GTVVEVLSST SLSLAAVNAW DATA SEQUENCE KVAAAESAIS LTRQVRETFW SAASTSSPAL SYLSPRTQIL YAFVREELGV DATA SEQUENCE KARRGDVFLG KQEVTIGSNV SKIYEAIKSG RINNVLLKXL 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 26 A HA 0.000 nan 4.320 nan 0.000 0.244 26 A C 0.000 177.618 177.584 0.057 0.000 1.274 26 A CA 0.000 52.097 52.037 0.100 0.000 0.836 26 A CB 0.000 19.071 19.000 0.118 0.000 0.831 27 S N 0.294 116.024 115.700 0.049 0.000 2.549 27 S HA 0.426 4.896 4.470 0.000 0.000 0.279 27 S C 1.378 175.997 174.600 0.032 0.000 1.321 27 S CA 0.629 58.849 58.200 0.034 0.000 1.054 27 S CB 0.341 63.560 63.200 0.032 0.000 0.899 27 S HN 1.747 nan 8.310 nan 0.000 0.497 28 T N 1.494 116.061 114.554 0.023 0.000 3.086 28 T HA 0.150 4.500 4.350 0.000 0.000 0.250 28 T C 0.527 175.236 174.700 0.014 0.000 1.074 28 T CA -0.371 61.741 62.100 0.020 0.000 0.988 28 T CB -0.406 68.471 68.868 0.015 0.000 0.988 28 T HN 0.508 nan 8.240 nan 0.000 0.530 29 N N 1.841 120.548 118.700 0.011 0.000 2.431 29 N HA 0.154 4.894 4.740 0.000 0.000 0.265 29 N C 1.012 176.521 175.510 -0.001 0.000 1.184 29 N CA -0.417 52.634 53.050 0.002 0.000 0.943 29 N CB 0.323 38.809 38.487 -0.000 0.000 1.080 29 N HN 0.299 nan 8.380 nan 0.000 0.477 30 L N 2.801 124.019 121.223 -0.009 0.000 2.191 30 L HA -0.163 4.177 4.340 0.000 0.000 0.212 30 L C 2.113 178.956 176.870 -0.046 0.000 1.103 30 L CA 1.159 55.987 54.840 -0.019 0.000 0.769 30 L CB -0.457 41.590 42.059 -0.022 0.000 0.908 30 L HN 0.614 nan 8.230 nan 0.000 0.438 31 A N -0.366 122.422 122.820 -0.055 0.000 2.019 31 A HA -0.115 4.205 4.320 0.000 0.000 0.219 31 A C 2.267 179.804 177.584 -0.079 0.000 1.164 31 A CA 1.628 53.610 52.037 -0.091 0.000 0.644 31 A CB -0.470 18.485 19.000 -0.074 0.000 0.805 31 A HN 0.244 nan 8.150 nan 0.000 0.449 32 V N -1.035 118.870 119.914 -0.015 0.000 2.426 32 V HA -0.021 4.099 4.120 0.000 0.000 0.242 32 V C 2.843 179.001 176.094 0.107 0.000 1.036 32 V CA 1.577 63.906 62.300 0.047 0.000 1.044 32 V CB -0.836 31.012 31.823 0.042 0.000 0.688 32 V HN 0.535 nan 8.190 nan 0.000 0.462 33 A N -0.727 122.130 122.820 0.062 0.000 2.072 33 A HA 0.450 4.770 4.320 0.000 0.000 0.216 33 A C 1.566 179.201 177.584 0.084 0.000 1.156 33 A CA 1.148 53.226 52.037 0.068 0.000 0.701 33 A CB -0.679 18.340 19.000 0.032 0.000 0.816 33 A HN 1.047 nan 8.150 nan 0.000 0.458 34 G N -1.164 107.667 108.800 0.051 0.000 2.697 34 G HA2 0.032 3.992 3.960 0.000 0.000 0.240 34 G HA3 0.032 3.992 3.960 0.000 0.000 0.240 34 G C -0.040 174.819 174.900 -0.068 0.000 1.346 34 G CA 0.111 45.206 45.100 -0.008 0.000 0.887 34 G HN 1.578 nan 8.290 nan 0.000 0.569 35 S N -2.057 113.580 115.700 -0.105 0.000 2.546 35 S HA 0.626 5.096 4.470 0.000 0.000 0.272 35 S C 0.454 174.970 174.600 -0.140 0.000 1.140 35 S CA 0.231 58.373 58.200 -0.096 0.000 0.920 35 S CB 1.370 64.564 63.200 -0.009 0.000 1.083 35 S HN 0.827 nan 8.310 nan 0.000 0.476 36 H N 2.560 121.620 119.070 -0.017 0.000 2.529 36 H HA 0.397 4.953 4.556 0.000 0.000 0.277 36 H C -0.004 175.451 175.328 0.212 0.000 0.999 36 H CA 0.838 56.899 56.048 0.020 0.000 1.256 36 H CB 0.187 29.931 29.762 -0.030 0.000 1.402 36 H HN 0.254 nan 8.280 nan 0.000 0.566 37 L N 0.240 121.590 121.223 0.211 0.000 2.323 37 L HA 0.411 4.751 4.340 0.000 0.000 0.265 37 L C -2.283 174.649 176.870 0.104 0.000 1.012 37 L CA -2.634 52.298 54.840 0.154 0.000 0.820 37 L CB 1.755 43.881 42.059 0.113 0.000 1.334 37 L HN -0.170 nan 8.230 nan 0.000 0.427 38 P HA 0.083 nan 4.420 nan 0.000 0.264 38 P C -0.747 176.586 177.300 0.055 0.000 1.193 38 P CA 0.154 63.297 63.100 0.070 0.000 0.763 38 P CB 0.636 32.385 31.700 0.082 0.000 0.810 39 T N 0.103 114.682 114.554 0.041 0.000 3.012 39 T HA 0.315 4.665 4.350 0.000 0.000 0.330 39 T C 0.897 175.609 174.700 0.019 0.000 1.321 39 T CA -0.234 61.883 62.100 0.029 0.000 1.067 39 T CB 0.579 69.462 68.868 0.025 0.000 1.235 39 T HN 0.384 nan 8.240 nan 0.000 0.479 40 T N 1.483 116.047 114.554 0.015 0.000 3.118 40 T HA 0.045 4.395 4.350 0.000 0.000 0.260 40 T C 1.401 176.102 174.700 0.000 0.000 1.139 40 T CA 0.617 62.722 62.100 0.009 0.000 1.085 40 T CB -0.123 68.750 68.868 0.010 0.000 0.934 40 T HN 0.689 nan 8.240 nan 0.000 0.518 41 Q N 0.087 119.887 119.800 0.000 0.000 2.436 41 Q HA 0.282 4.622 4.340 0.000 0.000 0.209 41 Q C 0.296 176.286 176.000 -0.016 0.000 0.965 41 Q CA 0.273 56.072 55.803 -0.005 0.000 0.910 41 Q CB 0.296 29.033 28.738 -0.001 0.000 0.980 41 Q HN 0.452 nan 8.270 nan 0.000 0.491 42 V N -0.082 119.819 119.914 -0.021 0.000 3.087 42 V HA 0.434 4.554 4.120 0.000 0.000 0.306 42 V C -0.990 175.075 176.094 -0.047 0.000 1.187 42 V CA -0.486 61.790 62.300 -0.041 0.000 0.999 42 V CB 2.515 34.307 31.823 -0.052 0.000 1.049 42 V HN 0.254 nan 8.190 nan 0.000 0.431 43 T N 1.032 115.543 114.554 -0.071 0.000 2.901 43 T HA 0.390 4.740 4.350 0.000 0.000 0.293 43 T C 0.542 175.165 174.700 -0.128 0.000 1.084 43 T CA 0.080 62.134 62.100 -0.076 0.000 1.008 43 T CB 1.887 70.717 68.868 -0.063 0.000 1.170 43 T HN 0.732 nan 8.240 nan 0.000 0.509 44 Q N 0.175 119.902 119.800 -0.120 0.000 2.084 44 Q HA -0.098 4.243 4.340 0.000 0.000 0.202 44 Q C 2.028 177.899 176.000 -0.215 0.000 0.978 44 Q CA 1.887 57.576 55.803 -0.190 0.000 0.844 44 Q CB -0.470 28.211 28.738 -0.095 0.000 0.898 44 Q HN 0.655 nan 8.270 nan 0.000 0.426 45 V N 1.742 121.572 119.914 -0.139 0.000 2.282 45 V HA -0.319 3.801 4.120 0.000 0.000 0.249 45 V C 1.808 177.818 176.094 -0.139 0.000 1.057 45 V CA 2.221 64.445 62.300 -0.126 0.000 1.032 45 V CB -0.676 31.095 31.823 -0.087 0.000 0.645 45 V HN 0.464 nan 8.190 nan 0.000 0.447 46 D N -0.108 120.213 120.400 -0.132 0.000 2.104 46 D HA -0.156 4.484 4.640 0.000 0.000 0.194 46 D C 2.056 178.255 176.300 -0.169 0.000 0.994 46 D CA 1.542 55.467 54.000 -0.124 0.000 0.830 46 D CB -0.243 40.494 40.800 -0.106 0.000 0.959 46 D HN 0.427 nan 8.370 nan 0.000 0.452 47 I N 0.435 120.848 120.570 -0.261 0.000 2.202 47 I HA -0.219 3.951 4.170 0.000 0.000 0.242 47 I C 2.467 178.385 176.117 -0.331 0.000 1.091 47 I CA 0.535 61.603 61.300 -0.386 0.000 1.368 47 I CB -0.158 37.430 38.000 -0.687 0.000 1.058 47 I HN -0.116 nan 8.210 nan 0.000 0.410 48 V N 0.790 120.507 119.914 -0.328 0.000 2.287 48 V HA -0.334 3.786 4.120 0.000 0.000 0.248 48 V C 2.503 178.516 176.094 -0.136 0.000 1.053 48 V CA 2.255 64.417 62.300 -0.231 0.000 1.027 48 V CB -0.692 31.005 31.823 -0.211 0.000 0.646 48 V HN 0.502 nan 8.190 nan 0.000 0.447 49 E N 0.448 120.576 120.200 -0.120 0.000 2.070 49 E HA -0.250 4.100 4.350 0.000 0.000 0.197 49 E C 1.498 178.065 176.600 -0.056 0.000 1.004 49 E CA 1.306 57.659 56.400 -0.078 0.000 0.805 49 E CB 0.030 29.686 29.700 -0.073 0.000 0.744 49 E HN 0.487 nan 8.360 nan 0.000 0.451 53 A N 0.877 123.704 122.820 0.012 0.000 2.275 53 A HA 0.596 4.916 4.320 0.000 0.000 0.212 53 A C 1.227 178.820 177.584 0.015 0.000 1.201 53 A CA 0.623 52.665 52.037 0.008 0.000 0.843 53 A CB -0.162 18.837 19.000 -0.002 0.000 0.873 53 A HN 0.262 nan 8.150 nan 0.000 0.492 54 A N 1.654 124.490 122.820 0.026 0.000 2.566 54 A HA 0.443 4.763 4.320 0.000 0.000 0.245 54 A C -2.145 175.449 177.584 0.017 0.000 1.056 54 A CA -0.686 51.366 52.037 0.025 0.000 0.757 54 A CB -0.515 18.505 19.000 0.034 0.000 0.979 54 A HN 0.291 nan 8.150 nan 0.000 0.508 55 P HA 0.153 nan 4.420 nan 0.000 0.269 55 P C 0.893 178.197 177.300 0.007 0.000 1.209 55 P CA 0.310 63.415 63.100 0.008 0.000 0.776 55 P CB 0.620 32.324 31.700 0.006 0.000 0.876 56 T N -3.643 110.914 114.554 0.005 0.000 2.985 56 T HA 0.139 4.489 4.350 0.000 0.000 0.254 56 T C 0.669 175.369 174.700 0.000 0.000 1.021 56 T CA 0.275 62.377 62.100 0.002 0.000 0.957 56 T CB -0.083 68.787 68.868 0.003 0.000 1.047 56 T HN 0.083 nan 8.240 nan 0.000 0.511 57 D N 2.164 122.564 120.400 0.002 0.000 2.615 57 D HA 0.168 4.808 4.640 0.000 0.000 0.259 57 D C 1.094 177.393 176.300 -0.001 0.000 0.999 57 D CA 0.595 54.596 54.000 0.001 0.000 0.938 57 D CB 0.207 41.009 40.800 0.003 0.000 1.121 57 D HN 0.527 nan 8.370 nan 0.000 0.487 58 S N 0.226 115.926 115.700 0.000 0.000 2.572 58 S HA 0.212 4.682 4.470 0.000 0.000 0.279 58 S C 0.344 174.943 174.600 -0.002 0.000 1.341 58 S CA -0.441 57.759 58.200 0.000 0.000 1.043 58 S CB 0.804 64.006 63.200 0.002 0.000 0.887 58 S HN -0.024 nan 8.310 nan 0.000 0.516 59 T N 3.371 117.923 114.554 -0.003 0.000 2.888 59 T HA 0.177 4.527 4.350 0.000 0.000 0.301 59 T C 0.051 174.750 174.700 -0.002 0.000 1.001 59 T CA -0.362 61.734 62.100 -0.006 0.000 1.147 59 T CB 0.102 68.965 68.868 -0.007 0.000 0.931 59 T HN 0.583 nan 8.240 nan 0.000 0.541 60 L N 4.563 125.783 121.223 -0.004 0.000 2.385 60 L HA 0.230 4.570 4.340 0.000 0.000 0.281 60 L C 0.258 177.129 176.870 0.001 0.000 1.106 60 L CA 0.256 55.096 54.840 -0.000 0.000 0.856 60 L CB -0.223 41.835 42.059 -0.002 0.000 1.186 60 L HN 0.564 nan 8.230 nan 0.000 0.453 61 E N 5.971 126.175 120.200 0.005 0.000 2.167 61 E HA 0.286 4.636 4.350 0.000 0.000 0.284 61 E C -0.974 175.633 176.600 0.012 0.000 1.016 61 E CA -0.445 55.960 56.400 0.007 0.000 0.817 61 E CB 1.054 30.759 29.700 0.009 0.000 1.080 61 E HN 0.586 nan 8.360 nan 0.000 0.397 62 L N 3.703 124.932 121.223 0.009 0.000 2.276 62 L HA 0.189 4.529 4.340 0.000 0.000 0.286 62 L C 0.518 177.402 176.870 0.022 0.000 1.061 62 L CA -0.201 54.645 54.840 0.011 0.000 0.807 62 L CB 0.553 42.611 42.059 -0.001 0.000 1.177 62 L HN 0.596 nan 8.230 nan 0.000 0.429 63 D N 0.212 120.639 120.400 0.046 0.000 2.500 63 D HA 0.180 4.820 4.640 0.000 0.000 0.217 63 D C 1.127 177.519 176.300 0.152 0.000 1.159 63 D CA 0.352 54.403 54.000 0.085 0.000 0.828 63 D CB 0.979 41.836 40.800 0.095 0.000 1.039 63 D HN 0.647 nan 8.370 nan 0.000 0.512 64 G N -0.376 108.451 108.800 0.045 0.000 2.195 64 G HA2 -0.365 3.595 3.960 0.000 0.000 0.246 64 G HA3 -0.365 3.595 3.960 0.000 0.000 0.246 64 G C 0.480 175.130 174.900 -0.417 0.000 0.984 64 G CA 0.557 45.569 45.100 -0.147 0.000 0.633 64 G HN 0.406 nan 8.290 nan 0.000 0.525 65 Y N -0.594 119.703 120.300 -0.005 0.000 2.524 65 Y HA 0.302 4.852 4.550 0.000 0.000 0.276 65 Y C 2.456 178.358 175.900 0.003 0.000 1.155 65 Y CA 0.820 58.922 58.100 0.002 0.000 1.165 65 Y CB 0.266 38.727 38.460 0.002 0.000 1.306 65 Y HN 0.213 nan 8.280 nan 0.000 0.522 66 S N 0.563 116.353 115.700 0.149 0.000 2.528 66 S HA 0.066 4.536 4.470 0.000 0.000 0.219 66 S C 0.392 175.022 174.600 0.050 0.000 0.985 66 S CA -0.113 58.140 58.200 0.089 0.000 0.914 66 S CB -0.116 63.127 63.200 0.070 0.000 0.776 66 S HN 0.149 nan 8.310 nan 0.000 0.526 67 L N 4.292 125.534 121.223 0.032 0.000 2.513 67 L HA 0.239 4.579 4.340 0.000 0.000 0.272 67 L C -0.092 176.784 176.870 0.011 0.000 1.187 67 L CA -0.052 54.795 54.840 0.013 0.000 0.895 67 L CB -0.030 42.026 42.059 -0.005 0.000 1.147 67 L HN 0.234 nan 8.230 nan 0.000 0.483 68 N N 3.615 122.325 118.700 0.016 0.000 2.531 68 N HA 0.374 5.114 4.740 0.000 0.000 0.290 68 N C 0.485 176.002 175.510 0.012 0.000 1.257 68 N CA -0.847 52.215 53.050 0.020 0.000 0.863 68 N CB 0.492 39.008 38.487 0.047 0.000 1.320 68 N HN 0.499 nan 8.380 nan 0.000 0.538 69 L N -0.835 120.393 121.223 0.008 0.000 2.093 69 L HA 0.055 4.395 4.340 0.000 0.000 0.208 69 L C 2.299 179.206 176.870 0.062 0.000 1.085 69 L CA 1.544 56.383 54.840 -0.002 0.000 0.755 69 L CB -0.967 41.037 42.059 -0.092 0.000 0.904 69 L HN 0.873 nan 8.230 nan 0.000 0.435 70 G N 0.005 108.867 108.800 0.104 0.000 2.440 70 G HA2 -0.273 3.687 3.960 0.000 0.000 0.218 70 G HA3 -0.273 3.687 3.960 0.000 0.000 0.218 70 G C 1.155 176.084 174.900 0.048 0.000 1.154 70 G CA 0.900 46.062 45.100 0.103 0.000 0.767 70 G HN 0.295 nan 8.290 nan 0.000 0.552 71 D N 0.240 120.659 120.400 0.032 0.000 2.104 71 D HA -0.103 4.537 4.640 0.000 0.000 0.194 71 D C 2.813 179.112 176.300 -0.001 0.000 0.994 71 D CA 0.956 54.964 54.000 0.014 0.000 0.830 71 D CB -0.568 40.240 40.800 0.012 0.000 0.959 71 D HN 0.188 nan 8.370 nan 0.000 0.452 72 V N 0.943 120.854 119.914 -0.006 0.000 2.282 72 V HA -0.236 3.884 4.120 0.000 0.000 0.249 72 V C 2.715 178.786 176.094 -0.038 0.000 1.057 72 V CA 1.214 63.502 62.300 -0.020 0.000 1.032 72 V CB -0.543 31.265 31.823 -0.024 0.000 0.645 72 V HN 0.056 nan 8.190 nan 0.000 0.447 73 V N 0.959 120.843 119.914 -0.051 0.000 2.343 73 V HA -0.240 3.880 4.120 0.000 0.000 0.247 73 V C 2.719 178.761 176.094 -0.087 0.000 1.051 73 V CA 2.234 64.463 62.300 -0.118 0.000 1.036 73 V CB -0.888 30.799 31.823 -0.226 0.000 0.654 73 V HN 0.789 nan 8.190 nan 0.000 0.451 74 S N 1.212 116.886 115.700 -0.044 0.000 2.383 74 S HA -0.183 4.287 4.470 0.000 0.000 0.229 74 S C 2.076 176.660 174.600 -0.027 0.000 1.030 74 S CA 1.478 59.661 58.200 -0.027 0.000 1.002 74 S CB -0.550 62.646 63.200 -0.006 0.000 0.829 74 S HN 0.580 nan 8.310 nan 0.000 0.467 75 A N 1.988 124.792 122.820 -0.025 0.000 1.897 75 A HA 0.448 4.768 4.320 0.000 0.000 0.215 75 A C 2.541 180.109 177.584 -0.026 0.000 1.181 75 A CA 1.520 53.545 52.037 -0.022 0.000 0.620 75 A CB -1.418 17.573 19.000 -0.016 0.000 0.821 75 A HN 0.842 nan 8.150 nan 0.000 0.443 76 A N -0.447 122.350 122.820 -0.037 0.000 1.873 76 A HA -0.086 4.234 4.320 0.000 0.000 0.215 76 A C 2.285 179.841 177.584 -0.046 0.000 1.186 76 A CA 1.528 53.540 52.037 -0.041 0.000 0.616 76 A CB -0.302 18.666 19.000 -0.054 0.000 0.823 76 A HN 0.495 nan 8.150 nan 0.000 0.442 77 R N -1.551 118.914 120.500 -0.059 0.000 2.225 77 R HA 0.120 4.460 4.340 0.000 0.000 0.194 77 R C 0.550 176.827 176.300 -0.038 0.000 0.957 77 R CA 0.474 56.539 56.100 -0.058 0.000 1.042 77 R CB 0.247 30.493 30.300 -0.090 0.000 1.004 77 R HN 0.195 nan 8.270 nan 0.000 0.509 78 K N -0.348 120.033 120.400 -0.032 0.000 2.414 78 K HA 0.236 4.556 4.320 0.000 0.000 0.204 78 K C 0.620 177.213 176.600 -0.011 0.000 1.026 78 K CA 0.429 56.706 56.287 -0.018 0.000 1.108 78 K CB 1.410 33.901 32.500 -0.015 0.000 0.855 78 K HN 0.285 nan 8.250 nan 0.000 0.517 79 G N 2.565 111.357 108.800 -0.013 0.000 2.160 79 G HA2 -0.352 3.608 3.960 0.000 0.000 0.251 79 G HA3 -0.352 3.608 3.960 0.000 0.000 0.251 79 G C 0.108 175.000 174.900 -0.014 0.000 1.008 79 G CA 0.430 45.524 45.100 -0.010 0.000 0.724 79 G HN 0.389 nan 8.290 nan 0.000 0.514 80 R N 0.736 121.228 120.500 -0.014 0.000 2.522 80 R HA 0.329 4.669 4.340 0.000 0.000 0.284 80 R C -1.895 174.394 176.300 -0.019 0.000 1.032 80 R CA -1.009 55.083 56.100 -0.013 0.000 1.049 80 R CB 0.325 30.618 30.300 -0.010 0.000 0.956 80 R HN 0.113 nan 8.270 nan 0.000 0.422 81 P HA -0.014 nan 4.420 nan 0.000 0.267 81 P C -1.188 176.097 177.300 -0.024 0.000 1.200 81 P CA -0.100 62.980 63.100 -0.033 0.000 0.772 81 P CB 0.767 32.447 31.700 -0.034 0.000 0.855 82 V N 3.794 123.692 119.914 -0.026 0.000 2.709 82 V HA 0.640 4.760 4.120 0.000 0.000 0.308 82 V C -0.044 176.041 176.094 -0.015 0.000 1.062 82 V CA -0.468 61.822 62.300 -0.016 0.000 0.901 82 V CB 2.081 33.897 31.823 -0.011 0.000 1.003 82 V HN 0.439 nan 8.190 nan 0.000 0.425 83 R N 1.840 122.334 120.500 -0.009 0.000 2.740 83 R HA 0.674 5.014 4.340 0.000 0.000 0.273 83 R C -1.291 175.008 176.300 -0.002 0.000 0.998 83 R CA -0.646 55.450 56.100 -0.006 0.000 0.900 83 R CB 2.164 32.461 30.300 -0.005 0.000 1.223 83 R HN 0.496 nan 8.270 nan 0.000 0.466 84 V N 3.882 123.795 119.914 -0.001 0.000 2.599 84 V HA 0.048 4.168 4.120 0.000 0.000 0.300 84 V C 0.797 176.894 176.094 0.005 0.000 1.034 84 V CA 0.060 62.361 62.300 0.002 0.000 1.115 84 V CB 0.486 32.309 31.823 0.000 0.000 0.934 84 V HN 0.599 nan 8.190 nan 0.000 0.485 85 K N 3.304 123.709 120.400 0.009 0.000 2.550 85 K HA -0.087 4.233 4.320 0.000 0.000 0.280 85 K C 0.084 176.690 176.600 0.009 0.000 0.987 85 K CA -0.099 56.194 56.287 0.011 0.000 1.048 85 K CB 0.185 32.695 32.500 0.017 0.000 0.879 85 K HN 0.745 nan 8.250 nan 0.000 0.491 86 D N 2.746 123.150 120.400 0.007 0.000 2.435 86 D HA 0.067 4.707 4.640 0.000 0.000 0.230 86 D C -1.203 175.100 176.300 0.006 0.000 1.215 86 D CA 0.214 54.218 54.000 0.007 0.000 0.947 86 D CB 0.053 40.857 40.800 0.007 0.000 1.048 86 D HN 0.470 nan 8.370 nan 0.000 0.512 87 S N 2.236 117.940 115.700 0.006 0.000 2.543 87 S HA 0.246 4.716 4.470 0.000 0.000 0.271 87 S C 0.402 175.005 174.600 0.004 0.000 1.148 87 S CA -0.856 57.347 58.200 0.004 0.000 0.914 87 S CB 1.638 64.840 63.200 0.003 0.000 1.096 87 S HN 0.044 nan 8.310 nan 0.000 0.471 88 D N 2.130 122.532 120.400 0.003 0.000 2.144 88 D HA -0.099 4.541 4.640 0.000 0.000 0.199 88 D C 1.612 177.913 176.300 0.003 0.000 0.984 88 D CA 1.478 55.480 54.000 0.004 0.000 0.834 88 D CB -0.041 40.761 40.800 0.003 0.000 0.955 88 D HN 0.873 nan 8.370 nan 0.000 0.465 89 E N 0.474 120.674 120.200 -0.000 0.000 2.051 89 E HA -0.161 4.189 4.350 0.000 0.000 0.192 89 E C 2.274 178.875 176.600 0.000 0.000 0.991 89 E CA 0.738 57.137 56.400 -0.003 0.000 0.799 89 E CB -0.081 29.614 29.700 -0.009 0.000 0.748 89 E HN 0.235 nan 8.360 nan 0.000 0.449 90 I N 0.334 120.906 120.570 0.004 0.000 2.252 90 I HA -0.242 3.928 4.170 0.000 0.000 0.245 90 I C 2.920 179.040 176.117 0.004 0.000 1.102 90 I CA 0.959 62.263 61.300 0.007 0.000 1.385 90 I CB -0.290 37.718 38.000 0.013 0.000 1.064 90 I HN 0.104 nan 8.210 nan 0.000 0.414 91 R N 0.347 120.850 120.500 0.005 0.000 2.083 91 R HA -0.206 4.134 4.340 0.000 0.000 0.237 91 R C 2.587 178.891 176.300 0.008 0.000 1.137 91 R CA 1.985 58.089 56.100 0.006 0.000 0.951 91 R CB -0.272 30.033 30.300 0.007 0.000 0.851 91 R HN 0.236 nan 8.270 nan 0.000 0.434 92 S N 0.389 116.094 115.700 0.008 0.000 2.368 92 S HA -0.184 4.286 4.470 0.000 0.000 0.225 92 S C 1.918 176.525 174.600 0.011 0.000 1.030 92 S CA 1.587 59.794 58.200 0.010 0.000 0.999 92 S CB -0.182 63.023 63.200 0.009 0.000 0.844 92 S HN 0.357 nan 8.310 nan 0.000 0.459 93 K N 0.442 120.845 120.400 0.006 0.000 2.032 93 K HA -0.102 4.218 4.320 0.000 0.000 0.209 93 K C 2.100 178.701 176.600 0.001 0.000 1.048 93 K CA 1.852 58.140 56.287 0.001 0.000 0.927 93 K CB -0.398 32.097 32.500 -0.007 0.000 0.712 93 K HN 0.487 nan 8.250 nan 0.000 0.441 94 I N 1.544 122.113 120.570 -0.002 0.000 2.142 94 I HA -0.294 3.876 4.170 0.000 0.000 0.240 94 I C 1.824 177.952 176.117 0.018 0.000 1.078 94 I CA 1.502 62.802 61.300 0.001 0.000 1.343 94 I CB -0.357 37.641 38.000 -0.003 0.000 1.046 94 I HN 0.216 nan 8.210 nan 0.000 0.405 95 D N 0.980 121.391 120.400 0.019 0.000 2.123 95 D HA -0.177 4.463 4.640 0.000 0.000 0.196 95 D C 2.156 178.481 176.300 0.042 0.000 0.992 95 D CA 1.271 55.287 54.000 0.027 0.000 0.833 95 D CB -0.229 40.583 40.800 0.021 0.000 0.954 95 D HN 0.278 nan 8.370 nan 0.000 0.455 96 K N 0.418 120.845 120.400 0.044 0.000 2.148 96 K HA -0.067 4.253 4.320 0.000 0.000 0.204 96 K C 2.238 178.901 176.600 0.105 0.000 1.050 96 K CA 1.221 57.547 56.287 0.065 0.000 0.942 96 K CB -0.009 32.519 32.500 0.047 0.000 0.724 96 K HN 0.143 nan 8.250 nan 0.000 0.446 97 S N 0.364 116.117 115.700 0.089 0.000 2.402 97 S HA -0.090 4.380 4.470 0.000 0.000 0.229 97 S C 2.109 176.802 174.600 0.155 0.000 1.021 97 S CA 0.918 59.199 58.200 0.134 0.000 0.974 97 S CB -0.486 62.769 63.200 0.091 0.000 0.800 97 S HN -0.003 nan 8.310 nan 0.000 0.484 98 V N 1.859 121.829 119.914 0.094 0.000 2.358 98 V HA -0.096 4.024 4.120 0.000 0.000 0.246 98 V C 2.958 179.090 176.094 0.063 0.000 1.047 98 V CA 2.163 64.503 62.300 0.067 0.000 1.035 98 V CB -0.856 30.991 31.823 0.041 0.000 0.658 98 V HN 0.391 nan 8.190 nan 0.000 0.452 99 E N -0.278 119.967 120.200 0.076 0.000 2.072 99 E HA -0.188 4.162 4.350 0.000 0.000 0.191 99 E C 1.844 178.485 176.600 0.068 0.000 0.985 99 E CA 1.185 57.621 56.400 0.060 0.000 0.801 99 E CB -0.450 29.288 29.700 0.064 0.000 0.750 99 E HN 0.560 nan 8.360 nan 0.000 0.452 100 F N 0.428 120.385 119.950 0.012 0.000 2.095 100 F HA -0.173 4.354 4.527 0.000 0.000 0.298 100 F C 2.039 177.845 175.800 0.011 0.000 1.104 100 F CA 1.388 59.395 58.000 0.013 0.000 1.232 100 F CB -0.459 38.551 39.000 0.018 0.000 0.987 100 F HN 0.124 nan 8.300 nan 0.000 0.475 101 L N 0.286 121.438 121.223 -0.119 0.000 2.046 101 L HA -0.026 4.314 4.340 0.000 0.000 0.208 101 L C 1.118 177.867 176.870 -0.202 0.000 1.077 101 L CA 1.263 55.988 54.840 -0.192 0.000 0.747 101 L CB -0.322 41.741 42.059 0.007 0.000 0.896 101 L HN 0.310 nan 8.230 nan 0.000 0.432 125 E N 2.193 122.389 120.200 -0.008 0.000 2.118 125 E HA -0.250 4.100 4.350 0.000 0.000 0.195 125 E C 1.778 178.374 176.600 -0.007 0.000 0.992 125 E CA 2.220 58.615 56.400 -0.008 0.000 0.804 125 E CB -0.392 29.303 29.700 -0.008 0.000 0.741 125 E HN 0.789 nan 8.360 nan 0.000 0.458 126 D N 0.898 121.294 120.400 -0.006 0.000 2.104 126 D HA -0.224 4.416 4.640 0.000 0.000 0.194 126 D C 1.906 178.205 176.300 -0.003 0.000 0.994 126 D CA 1.666 55.663 54.000 -0.005 0.000 0.830 126 D CB -0.418 40.379 40.800 -0.006 0.000 0.959 126 D HN 0.312 nan 8.370 nan 0.000 0.452 127 A N 0.756 123.574 122.820 -0.003 0.000 1.929 127 A HA 0.023 4.343 4.320 0.000 0.000 0.216 127 A C 2.614 180.198 177.584 0.001 0.000 1.176 127 A CA 0.724 52.761 52.037 -0.001 0.000 0.628 127 A CB -0.686 18.313 19.000 -0.002 0.000 0.816 127 A HN 0.277 nan 8.150 nan 0.000 0.444 128 I N -0.344 120.224 120.570 -0.002 0.000 2.163 128 I HA -0.245 3.925 4.170 0.000 0.000 0.243 128 I C 2.699 178.815 176.117 -0.002 0.000 1.085 128 I CA 1.486 62.784 61.300 -0.003 0.000 1.347 128 I CB -0.257 37.739 38.000 -0.007 0.000 1.044 128 I HN 0.229 nan 8.210 nan 0.000 0.408 129 S N 0.668 116.367 115.700 -0.002 0.000 2.368 129 S HA -0.179 4.291 4.470 0.000 0.000 0.225 129 S C 1.902 176.506 174.600 0.008 0.000 1.030 129 S CA 1.261 59.461 58.200 -0.000 0.000 0.999 129 S CB -0.391 62.808 63.200 -0.002 0.000 0.844 129 S HN 0.304 nan 8.310 nan 0.000 0.459 130 L N 2.172 123.400 121.223 0.008 0.000 2.042 130 L HA -0.137 4.203 4.340 0.000 0.000 0.210 130 L C 2.183 179.067 176.870 0.024 0.000 1.076 130 L CA 1.794 56.643 54.840 0.015 0.000 0.749 130 L CB -0.805 41.261 42.059 0.012 0.000 0.893 130 L HN 0.182 nan 8.230 nan 0.000 0.432 131 Q N 0.035 119.846 119.800 0.017 0.000 2.119 131 Q HA -0.201 4.139 4.340 0.000 0.000 0.201 131 Q C 2.213 178.226 176.000 0.022 0.000 0.972 131 Q CA 1.638 57.452 55.803 0.018 0.000 0.847 131 Q CB -0.448 28.296 28.738 0.009 0.000 0.903 131 Q HN 0.580 nan 8.270 nan 0.000 0.433 132 K N 0.750 121.161 120.400 0.020 0.000 2.097 132 K HA -0.016 4.304 4.320 0.000 0.000 0.205 132 K C 2.131 178.759 176.600 0.046 0.000 1.050 132 K CA 1.056 57.359 56.287 0.026 0.000 0.938 132 K CB -0.178 32.327 32.500 0.008 0.000 0.718 132 K HN 0.166 nan 8.250 nan 0.000 0.442 133 A N 1.498 124.349 122.820 0.051 0.000 1.940 133 A HA -0.146 4.174 4.320 0.000 0.000 0.219 133 A C 2.103 179.789 177.584 0.170 0.000 1.176 133 A CA 1.271 53.358 52.037 0.084 0.000 0.631 133 A CB -0.602 18.430 19.000 0.052 0.000 0.814 133 A HN 0.149 nan 8.150 nan 0.000 0.446 134 L N -0.674 120.626 121.223 0.129 0.000 2.027 134 L HA -0.171 4.169 4.340 0.000 0.000 0.206 134 L C 2.599 179.446 176.870 -0.039 0.000 1.074 134 L CA 1.158 56.090 54.840 0.154 0.000 0.745 134 L CB -0.601 41.504 42.059 0.077 0.000 0.898 134 L HN 0.384 nan 8.230 nan 0.000 0.433 135 L N -0.450 120.746 121.223 -0.046 0.000 2.017 135 L HA -0.230 4.110 4.340 0.000 0.000 0.208 135 L C 2.590 179.373 176.870 -0.144 0.000 1.073 135 L CA 1.361 56.127 54.840 -0.123 0.000 0.745 135 L CB -0.711 41.314 42.059 -0.057 0.000 0.894 135 L HN 0.373 nan 8.230 nan 0.000 0.432 136 E N 0.368 120.560 120.200 -0.013 0.000 2.086 136 E HA -0.319 4.031 4.350 0.000 0.000 0.205 136 E C 2.151 178.745 176.600 -0.010 0.000 1.027 136 E CA 2.113 58.528 56.400 0.024 0.000 0.830 136 E CB -0.192 29.559 29.700 0.085 0.000 0.751 136 E HN 0.693 nan 8.360 nan 0.000 0.456 137 H N -1.153 117.900 119.070 -0.029 0.000 2.502 137 H HA 0.042 4.598 4.556 0.000 0.000 0.283 137 H C 1.472 176.781 175.328 -0.032 0.000 1.015 137 H CA 0.752 56.785 56.048 -0.023 0.000 1.298 137 H CB 0.123 29.875 29.762 -0.016 0.000 1.411 137 H HN 0.203 nan 8.280 nan 0.000 0.556 138 Q N 0.915 120.398 119.800 -0.528 0.000 2.408 138 Q HA 0.196 4.536 4.340 0.000 0.000 0.205 138 Q C 0.965 176.824 176.000 -0.234 0.000 0.919 138 Q CA 0.047 55.622 55.803 -0.380 0.000 0.932 138 Q CB 0.571 29.050 28.738 -0.432 0.000 1.058 138 Q HN 0.488 nan 8.270 nan 0.000 0.517 139 L N 1.561 122.598 121.223 -0.309 0.000 2.480 139 L HA 0.119 4.459 4.340 0.000 0.000 0.243 139 L C 0.656 177.477 176.870 -0.082 0.000 1.315 139 L CA -0.365 54.206 54.840 -0.447 0.000 1.231 139 L CB -0.263 41.427 42.059 -0.615 0.000 1.444 139 L HN 0.158 nan 8.230 nan 0.000 0.409 140 C N -2.978 116.371 119.300 0.082 0.000 3.240 140 C HA 0.550 5.010 4.460 0.000 0.000 0.271 140 C C 1.081 176.143 174.990 0.121 0.000 1.534 140 C CA -0.578 58.492 59.018 0.088 0.000 1.796 140 C CB -0.935 26.837 27.740 0.052 0.000 2.892 140 C HN 0.517 nan 8.230 nan 0.000 0.566 141 G N 0.730 109.649 108.800 0.198 0.000 2.511 141 G HA2 0.579 4.539 3.960 0.000 0.000 0.316 141 G HA3 0.579 4.539 3.960 0.000 0.000 0.316 141 G C -0.916 174.005 174.900 0.035 0.000 1.210 141 G CA -0.296 44.848 45.100 0.073 0.000 0.969 141 G HN 0.272 nan 8.290 nan 0.000 0.492 142 V N 0.539 120.441 119.914 -0.020 0.000 2.394 142 V HA 0.561 4.681 4.120 0.000 0.000 0.282 142 V C 0.023 176.084 176.094 -0.055 0.000 1.031 142 V CA -0.211 62.077 62.300 -0.021 0.000 0.881 142 V CB 0.800 32.614 31.823 -0.016 0.000 0.982 142 V HN 0.481 nan 8.190 nan 0.000 0.451 143 L N 5.596 126.797 121.223 -0.037 0.000 2.415 143 L HA 0.597 4.937 4.340 0.000 0.000 0.256 143 L C -2.338 174.523 176.870 -0.015 0.000 1.010 143 L CA -1.854 52.959 54.840 -0.045 0.000 0.826 143 L CB 2.789 44.814 42.059 -0.056 0.000 1.405 143 L HN 0.447 nan 8.230 nan 0.000 0.410 144 P HA 0.050 nan 4.420 nan 0.000 0.265 144 P C 0.386 177.693 177.300 0.012 0.000 1.193 144 P CA -0.156 62.968 63.100 0.040 0.000 0.765 144 P CB 0.957 32.745 31.700 0.146 0.000 0.823 145 S N 0.812 116.519 115.700 0.011 0.000 2.428 145 S HA 0.038 4.508 4.470 0.000 0.000 0.230 145 S C 0.872 175.438 174.600 -0.056 0.000 1.014 145 S CA 0.600 58.794 58.200 -0.010 0.000 0.957 145 S CB -0.160 63.047 63.200 0.012 0.000 0.784 145 S HN 0.628 nan 8.310 nan 0.000 0.499 146 S N -1.453 114.210 115.700 -0.062 0.000 2.596 146 S HA 0.607 5.077 4.470 0.000 0.000 0.270 146 S C -0.499 173.992 174.600 -0.182 0.000 1.155 146 S CA -0.730 57.395 58.200 -0.126 0.000 0.827 146 S CB 0.241 63.435 63.200 -0.010 0.000 1.130 146 S HN 0.069 nan 8.310 nan 0.000 0.467 147 F N 1.578 121.411 119.950 -0.195 0.000 2.604 147 F HA 0.084 4.611 4.527 0.000 0.000 0.298 147 F C 1.742 177.480 175.800 -0.103 0.000 1.131 147 F CA 0.619 58.367 58.000 -0.420 0.000 1.457 147 F CB -0.248 38.476 39.000 -0.460 0.000 1.095 147 F HN 0.546 nan 8.300 nan 0.000 0.574 148 D N -0.542 119.943 120.400 0.142 0.000 2.265 148 D HA -0.145 4.495 4.640 0.000 0.000 0.208 148 D C 2.290 178.694 176.300 0.173 0.000 0.977 148 D CA 1.526 55.605 54.000 0.132 0.000 0.871 148 D CB -0.405 40.447 40.800 0.087 0.000 0.925 148 D HN 0.286 nan 8.370 nan 0.000 0.485 149 S N -0.659 115.186 115.700 0.241 0.000 2.527 149 S HA -0.003 4.467 4.470 0.000 0.000 0.222 149 S C 0.665 175.448 174.600 0.305 0.000 0.985 149 S CA -0.327 58.010 58.200 0.230 0.000 0.921 149 S CB -0.277 63.030 63.200 0.178 0.000 0.772 149 S HN -0.077 nan 8.310 nan 0.000 0.529 150 F N 3.045 123.050 119.950 0.092 0.000 2.459 150 F HA 0.559 5.086 4.527 -0.000 0.000 0.346 150 F C 1.272 177.111 175.800 0.066 0.000 1.128 150 F CA -0.761 57.297 58.000 0.097 0.000 1.268 150 F CB 0.378 39.478 39.000 0.167 0.000 1.161 150 F HN -0.014 nan 8.300 nan 0.000 0.583 151 R N 1.378 121.989 120.500 0.184 0.000 2.836 151 R HA 0.380 4.720 4.340 0.000 0.000 0.269 151 R C -1.469 174.885 176.300 0.089 0.000 1.010 151 R CA -1.512 54.654 56.100 0.110 0.000 0.930 151 R CB 1.581 31.916 30.300 0.058 0.000 1.218 151 R HN 0.512 nan 8.270 nan 0.000 0.473 152 L N 1.729 122.993 121.223 0.067 0.000 2.667 152 L HA 0.070 4.410 4.340 0.000 0.000 0.278 152 L C 1.162 178.053 176.870 0.035 0.000 1.217 152 L CA 2.200 57.071 54.840 0.052 0.000 0.935 152 L CB -0.306 41.776 42.059 0.037 0.000 1.193 152 L HN 0.973 nan 8.230 nan 0.000 0.493 153 G N 3.419 112.241 108.800 0.036 0.000 2.155 153 G HA2 -0.249 3.711 3.960 0.000 0.000 0.257 153 G HA3 -0.249 3.711 3.960 0.000 0.000 0.257 153 G C 0.414 175.308 174.900 -0.009 0.000 0.983 153 G CA 0.566 45.677 45.100 0.018 0.000 0.676 153 G HN 0.726 nan 8.290 nan 0.000 0.528 154 R N -1.872 118.611 120.500 -0.028 0.000 2.817 154 R HA 0.727 5.067 4.340 0.000 0.000 0.268 154 R C 0.821 176.972 176.300 -0.248 0.000 1.027 154 R CA -0.003 56.037 56.100 -0.100 0.000 0.928 154 R CB 1.194 31.449 30.300 -0.074 0.000 1.228 154 R HN 1.136 nan 8.270 nan 0.000 0.469 155 G N -0.325 108.228 108.800 -0.412 0.000 2.901 155 G HA2 -0.161 3.799 3.960 0.000 0.000 0.194 155 G HA3 -0.161 3.799 3.960 0.000 0.000 0.194 155 G C 0.204 174.576 174.900 -0.881 0.000 1.020 155 G CA -0.340 44.200 45.100 -0.932 0.000 0.787 155 G HN 0.356 nan 8.290 nan 0.000 0.477 156 L N 1.158 122.078 121.223 -0.505 0.000 2.910 156 L HA 0.356 4.696 4.340 0.000 0.000 0.252 156 L C 1.848 178.621 176.870 -0.161 0.000 1.195 156 L CA -0.016 54.664 54.840 -0.268 0.000 1.003 156 L CB 0.604 42.594 42.059 -0.114 0.000 1.328 156 L HN 0.139 nan 8.230 nan 0.000 0.540 157 E N 0.247 120.348 120.200 -0.164 0.000 2.171 157 E HA -0.181 4.169 4.350 0.000 0.000 0.197 157 E C 1.146 177.691 176.600 -0.091 0.000 0.997 157 E CA 1.012 57.347 56.400 -0.108 0.000 0.810 157 E CB -0.022 29.620 29.700 -0.097 0.000 0.738 157 E HN 0.312 nan 8.360 nan 0.000 0.467 158 N N 0.302 118.942 118.700 -0.100 0.000 2.313 158 N HA 0.022 4.762 4.740 0.000 0.000 0.207 158 N C -0.619 174.833 175.510 -0.097 0.000 1.141 158 N CA 0.206 53.205 53.050 -0.085 0.000 0.830 158 N CB 0.407 38.849 38.487 -0.076 0.000 1.008 158 N HN 0.091 nan 8.380 nan 0.000 0.481 159 S N -0.738 114.905 115.700 -0.095 0.000 2.568 159 S HA 0.514 4.984 4.470 0.000 0.000 0.302 159 S C 0.007 174.554 174.600 -0.087 0.000 1.082 159 S CA -0.869 57.271 58.200 -0.101 0.000 1.009 159 S CB 1.781 64.932 63.200 -0.081 0.000 1.069 159 S HN 0.041 nan 8.310 nan 0.000 0.500 160 L N 2.155 123.323 121.223 -0.093 0.000 2.456 160 L HA 0.304 4.644 4.340 0.000 0.000 0.272 160 L C -2.053 174.778 176.870 -0.065 0.000 1.189 160 L CA -1.736 53.061 54.840 -0.072 0.000 0.846 160 L CB 0.080 42.098 42.059 -0.067 0.000 1.111 160 L HN 0.520 nan 8.230 nan 0.000 0.475 161 P HA -0.017 nan 4.420 nan 0.000 0.267 161 P C 0.687 177.945 177.300 -0.070 0.000 1.200 161 P CA -0.037 63.026 63.100 -0.063 0.000 0.772 161 P CB 0.546 32.216 31.700 -0.051 0.000 0.855 162 L N 1.961 123.125 121.223 -0.097 0.000 2.093 162 L HA -0.195 4.145 4.340 0.000 0.000 0.208 162 L C 2.309 179.139 176.870 -0.067 0.000 1.085 162 L CA 1.583 56.359 54.840 -0.107 0.000 0.755 162 L CB -0.853 41.084 42.059 -0.204 0.000 0.904 162 L HN 0.531 nan 8.230 nan 0.000 0.435 163 E N 0.145 120.307 120.200 -0.064 0.000 2.110 163 E HA -0.177 4.173 4.350 0.000 0.000 0.193 163 E C 2.076 178.651 176.600 -0.041 0.000 0.988 163 E CA 1.473 57.842 56.400 -0.051 0.000 0.804 163 E CB -0.447 29.219 29.700 -0.056 0.000 0.745 163 E HN 0.269 nan 8.360 nan 0.000 0.458 164 V N 1.377 121.268 119.914 -0.039 0.000 2.358 164 V HA -0.216 3.904 4.120 0.000 0.000 0.246 164 V C 2.449 178.532 176.094 -0.019 0.000 1.047 164 V CA 1.462 63.744 62.300 -0.030 0.000 1.035 164 V CB -0.097 31.707 31.823 -0.031 0.000 0.658 164 V HN 0.230 nan 8.190 nan 0.000 0.452 165 V N -0.273 119.632 119.914 -0.016 0.000 2.427 165 V HA -0.206 3.914 4.120 0.000 0.000 0.248 165 V C 2.551 178.655 176.094 0.017 0.000 1.051 165 V CA 1.824 64.127 62.300 0.005 0.000 1.048 165 V CB -0.780 31.051 31.823 0.014 0.000 0.666 165 V HN 0.445 nan 8.190 nan 0.000 0.456 166 R N 0.262 120.766 120.500 0.007 0.000 2.081 166 R HA -0.100 4.240 4.340 0.000 0.000 0.235 166 R C 2.498 178.799 176.300 0.002 0.000 1.131 166 R CA 1.507 57.614 56.100 0.012 0.000 0.960 166 R CB -0.832 29.467 30.300 -0.001 0.000 0.856 166 R HN 0.586 nan 8.270 nan 0.000 0.436 167 G N 0.998 109.791 108.800 -0.012 0.000 2.422 167 G HA2 -0.140 3.820 3.960 0.000 0.000 0.218 167 G HA3 -0.140 3.820 3.960 0.000 0.000 0.218 167 G C 0.686 175.581 174.900 -0.009 0.000 1.146 167 G CA 0.704 45.794 45.100 -0.016 0.000 0.769 167 G HN 0.446 nan 8.290 nan 0.000 0.547 171 I N 1.755 122.317 120.570 -0.013 0.000 2.226 171 I HA -0.159 4.011 4.170 0.000 0.000 0.245 171 I C 2.664 178.771 176.117 -0.018 0.000 1.100 171 I CA 1.578 62.867 61.300 -0.018 0.000 1.374 171 I CB -0.231 37.759 38.000 -0.017 0.000 1.057 171 I HN 0.116 nan 8.210 nan 0.000 0.413 172 R N 1.119 121.612 120.500 -0.011 0.000 2.096 172 R HA -0.157 4.183 4.340 0.000 0.000 0.240 172 R C 2.064 178.354 176.300 -0.017 0.000 1.139 172 R CA 1.878 57.972 56.100 -0.010 0.000 0.952 172 R CB -0.825 29.471 30.300 -0.007 0.000 0.854 172 R HN 0.164 nan 8.270 nan 0.000 0.436 173 V N 1.065 120.967 119.914 -0.019 0.000 2.307 173 V HA -0.199 3.921 4.120 0.000 0.000 0.245 173 V C 2.020 178.098 176.094 -0.028 0.000 1.045 173 V CA 2.013 64.299 62.300 -0.022 0.000 1.024 173 V CB -0.891 30.921 31.823 -0.018 0.000 0.651 173 V HN 0.471 nan 8.190 nan 0.000 0.449 174 N N 1.157 119.840 118.700 -0.030 0.000 2.064 174 N HA -0.272 4.468 4.740 0.000 0.000 0.200 174 N C 1.988 177.457 175.510 -0.069 0.000 1.028 174 N CA 2.408 55.431 53.050 -0.045 0.000 0.880 174 N CB -0.331 38.130 38.487 -0.044 0.000 1.062 174 N HN 0.589 nan 8.380 nan 0.000 0.454 175 S N -0.737 114.928 115.700 -0.058 0.000 2.442 175 S HA -0.067 4.403 4.470 0.000 0.000 0.236 175 S C 1.811 176.379 174.600 -0.053 0.000 1.007 175 S CA 0.837 59.001 58.200 -0.060 0.000 0.965 175 S CB -0.381 62.802 63.200 -0.028 0.000 0.773 175 S HN 0.376 nan 8.310 nan 0.000 0.504 176 L N 1.683 122.880 121.223 -0.043 0.000 2.554 176 L HA 0.129 4.469 4.340 0.000 0.000 0.225 176 L C 2.633 179.470 176.870 -0.055 0.000 1.104 176 L CA 0.909 55.727 54.840 -0.037 0.000 0.866 176 L CB -0.563 41.485 42.059 -0.019 0.000 1.047 176 L HN 0.504 nan 8.230 nan 0.000 0.468 177 T N -3.231 111.286 114.554 -0.061 0.000 3.113 177 T HA -0.085 4.265 4.350 0.000 0.000 0.263 177 T C 1.753 176.403 174.700 -0.084 0.000 1.143 177 T CA 0.451 62.519 62.100 -0.053 0.000 1.090 177 T CB -0.183 68.669 68.868 -0.027 0.000 0.922 177 T HN 0.259 nan 8.240 nan 0.000 0.521 178 R N 0.563 120.961 120.500 -0.171 0.000 2.299 178 R HA 0.316 4.656 4.340 0.000 0.000 0.197 178 R C 1.912 177.904 176.300 -0.513 0.000 0.971 178 R CA 0.488 56.403 56.100 -0.309 0.000 1.030 178 R CB -0.182 29.863 30.300 -0.425 0.000 0.932 178 R HN 0.552 nan 8.270 nan 0.000 0.477 179 G N 0.407 109.016 108.800 -0.318 0.000 2.141 179 G HA2 -0.304 3.656 3.960 0.000 0.000 0.242 179 G HA3 -0.304 3.656 3.960 0.000 0.000 0.242 179 G C 0.200 175.016 174.900 -0.140 0.000 0.982 179 G CA 0.411 45.391 45.100 -0.200 0.000 0.662 179 G HN 0.590 nan 8.290 nan 0.000 0.527 180 H N -0.494 118.589 119.070 0.020 0.000 2.586 180 H HA 0.398 4.954 4.556 0.000 0.000 0.273 180 H C 2.095 177.442 175.328 0.030 0.000 0.997 180 H CA 0.689 56.748 56.048 0.018 0.000 1.177 180 H CB 0.750 30.514 29.762 0.003 0.000 1.471 180 H HN 0.370 nan 8.280 nan 0.000 0.538 181 S N -0.070 115.694 115.700 0.107 0.000 2.554 181 S HA 0.315 4.785 4.470 0.000 0.000 0.227 181 S C 1.338 175.981 174.600 0.071 0.000 1.050 181 S CA 0.291 58.541 58.200 0.084 0.000 0.927 181 S CB 1.019 64.253 63.200 0.057 0.000 0.859 181 S HN 0.494 nan 8.310 nan 0.000 0.494 182 A N 1.139 123.999 122.820 0.068 0.000 2.869 182 A HA -0.131 4.189 4.320 0.000 0.000 0.280 182 A C 0.151 177.759 177.584 0.040 0.000 1.458 182 A CA 0.424 52.499 52.037 0.064 0.000 0.776 182 A CB -2.292 16.758 19.000 0.084 0.000 1.028 182 A HN 0.357 nan 8.150 nan 0.000 0.547 183 V N 1.113 121.043 119.914 0.027 0.000 2.394 183 V HA 0.354 4.474 4.120 0.000 0.000 0.282 183 V C 1.165 177.264 176.094 0.008 0.000 1.031 183 V CA -0.580 61.728 62.300 0.013 0.000 0.881 183 V CB 1.388 33.214 31.823 0.006 0.000 0.982 183 V HN 0.605 nan 8.190 nan 0.000 0.451 184 R N 2.392 122.895 120.500 0.005 0.000 2.679 184 R HA 0.079 4.419 4.340 0.000 0.000 0.268 184 R C 1.191 177.491 176.300 -0.001 0.000 1.044 184 R CA -0.475 55.628 56.100 0.004 0.000 1.105 184 R CB 0.291 30.593 30.300 0.003 0.000 0.989 184 R HN 0.621 nan 8.270 nan 0.000 0.447 185 L N 3.909 125.132 121.223 0.001 0.000 2.079 185 L HA -0.177 4.163 4.340 0.000 0.000 0.210 185 L C 2.023 178.892 176.870 -0.003 0.000 1.081 185 L CA 1.602 56.441 54.840 -0.001 0.000 0.752 185 L CB -0.352 41.709 42.059 0.003 0.000 0.896 185 L HN 0.599 nan 8.230 nan 0.000 0.433 186 V N -1.434 118.480 119.914 -0.000 0.000 2.594 186 V HA -0.212 3.909 4.120 0.000 0.000 0.253 186 V C 2.296 178.382 176.094 -0.013 0.000 1.069 186 V CA 1.751 64.051 62.300 -0.000 0.000 1.082 186 V CB 0.003 31.829 31.823 0.005 0.000 0.680 186 V HN 0.343 nan 8.190 nan 0.000 0.469 187 V N -0.016 119.886 119.914 -0.020 0.000 2.379 187 V HA -0.178 3.942 4.120 0.000 0.000 0.245 187 V C 2.354 178.418 176.094 -0.050 0.000 1.044 187 V CA 2.045 64.322 62.300 -0.039 0.000 1.036 187 V CB -0.471 31.332 31.823 -0.033 0.000 0.664 187 V HN 0.484 nan 8.190 nan 0.000 0.453 188 L N -0.168 121.035 121.223 -0.033 0.000 2.079 188 L HA -0.210 4.130 4.340 0.000 0.000 0.210 188 L C 2.522 179.374 176.870 -0.029 0.000 1.081 188 L CA 1.782 56.603 54.840 -0.032 0.000 0.752 188 L CB -0.794 41.253 42.059 -0.020 0.000 0.896 188 L HN 0.408 nan 8.230 nan 0.000 0.433 189 E N 0.330 120.520 120.200 -0.016 0.000 2.204 189 E HA -0.174 4.176 4.350 0.000 0.000 0.194 189 E C 2.318 178.918 176.600 -0.000 0.000 0.989 189 E CA 0.951 57.351 56.400 -0.000 0.000 0.824 189 E CB -0.108 29.600 29.700 0.013 0.000 0.756 189 E HN 0.502 nan 8.360 nan 0.000 0.477 190 A N 1.166 123.962 122.820 -0.039 0.000 1.902 190 A HA -0.166 4.154 4.320 0.000 0.000 0.217 190 A C 2.161 179.638 177.584 -0.178 0.000 1.181 190 A CA 1.061 53.042 52.037 -0.094 0.000 0.623 190 A CB -0.542 18.363 19.000 -0.159 0.000 0.818 190 A HN 0.132 nan 8.150 nan 0.000 0.443 191 L N -0.185 120.940 121.223 -0.163 0.000 2.056 191 L HA -0.150 4.190 4.340 0.000 0.000 0.207 191 L C 3.035 179.913 176.870 0.013 0.000 1.078 191 L CA 1.795 56.562 54.840 -0.122 0.000 0.749 191 L CB -0.947 41.059 42.059 -0.088 0.000 0.901 191 L HN 0.646 nan 8.230 nan 0.000 0.433 192 T N -3.371 111.189 114.554 0.011 0.000 2.821 192 T HA -0.128 4.223 4.350 0.000 0.000 0.267 192 T C 1.741 176.470 174.700 0.048 0.000 1.046 192 T CA 1.260 63.374 62.100 0.023 0.000 1.139 192 T CB -0.382 68.489 68.868 0.004 0.000 0.871 192 T HN 0.196 nan 8.240 nan 0.000 0.454 193 N N 0.879 119.638 118.700 0.097 0.000 2.120 193 N HA 0.025 4.765 4.740 0.000 0.000 0.188 193 N C 1.447 177.124 175.510 0.278 0.000 1.024 193 N CA 0.855 54.012 53.050 0.178 0.000 0.852 193 N CB -0.640 37.999 38.487 0.253 0.000 1.003 193 N HN 0.325 nan 8.380 nan 0.000 0.424 194 F N 1.461 121.422 119.950 0.019 0.000 2.095 194 F HA -0.044 4.484 4.527 0.000 0.000 0.298 194 F C 2.284 178.062 175.800 -0.036 0.000 1.104 194 F CA 0.545 58.543 58.000 -0.004 0.000 1.232 194 F CB -0.929 38.078 39.000 0.012 0.000 0.987 194 F HN -0.018 nan 8.300 nan 0.000 0.475 195 L N -0.309 121.009 121.223 0.158 0.000 1.994 195 L HA -0.270 4.070 4.340 0.000 0.000 0.208 195 L C 2.142 178.993 176.870 -0.031 0.000 1.071 195 L CA 1.416 56.286 54.840 0.050 0.000 0.745 195 L CB -0.681 41.397 42.059 0.033 0.000 0.892 195 L HN 0.100 nan 8.230 nan 0.000 0.431 196 N N -1.342 117.307 118.700 -0.086 0.000 2.396 196 N HA -0.129 4.611 4.740 0.000 0.000 0.180 196 N C 1.426 176.730 175.510 -0.344 0.000 1.028 196 N CA 0.942 53.867 53.050 -0.209 0.000 0.893 196 N CB -0.193 38.142 38.487 -0.253 0.000 0.967 196 N HN 0.411 nan 8.380 nan 0.000 0.440 197 H N -0.656 118.294 119.070 -0.201 0.000 2.549 197 H HA 0.240 4.796 4.556 -0.000 0.000 0.279 197 H C 0.843 175.913 175.328 -0.431 0.000 1.018 197 H CA 0.395 56.170 56.048 -0.455 0.000 1.175 197 H CB 0.250 29.473 29.762 -0.898 0.000 1.485 197 H HN 0.172 nan 8.280 nan 0.000 0.543 198 G N 1.850 110.569 108.800 -0.135 0.000 2.273 198 G HA2 -0.278 3.682 3.960 0.000 0.000 0.280 198 G HA3 -0.278 3.682 3.960 0.000 0.000 0.280 198 G C 0.122 174.969 174.900 -0.088 0.000 1.047 198 G CA 0.087 45.147 45.100 -0.065 0.000 0.869 198 G HN 0.376 nan 8.290 nan 0.000 0.502 199 I N 1.435 121.888 120.570 -0.194 0.000 2.297 199 I HA 0.320 4.491 4.170 0.000 0.000 0.291 199 I C 0.186 176.228 176.117 -0.125 0.000 1.033 199 I CA -0.166 60.961 61.300 -0.289 0.000 1.253 199 I CB 1.342 38.876 38.000 -0.778 0.000 1.396 199 I HN 0.034 nan 8.210 nan 0.000 0.476 200 T N 7.240 121.803 114.554 0.016 0.000 2.809 200 T HA 0.319 4.669 4.350 0.000 0.000 0.296 200 T C -2.461 172.308 174.700 0.116 0.000 1.015 200 T CA -1.527 60.627 62.100 0.091 0.000 0.954 200 T CB 1.298 70.206 68.868 0.067 0.000 0.950 200 T HN 0.208 nan 8.240 nan 0.000 0.450 201 P HA 0.065 nan 4.420 nan 0.000 0.264 201 P C -0.283 177.076 177.300 0.099 0.000 1.183 201 P CA -0.315 62.885 63.100 0.166 0.000 0.763 201 P CB 0.346 32.175 31.700 0.215 0.000 0.807 202 I N 4.262 124.884 120.570 0.086 0.000 2.337 202 I HA 0.139 4.309 4.170 0.000 0.000 0.291 202 I C 0.182 176.266 176.117 -0.055 0.000 1.046 202 I CA -0.045 61.268 61.300 0.023 0.000 1.324 202 I CB 0.319 38.335 38.000 0.027 0.000 1.409 202 I HN 0.044 nan 8.210 nan 0.000 0.494 203 V N 9.017 128.843 119.914 -0.147 0.000 2.588 203 V HA 0.368 4.488 4.120 0.000 0.000 0.304 203 V C -2.284 173.584 176.094 -0.377 0.000 1.042 203 V CA -1.964 60.133 62.300 -0.339 0.000 0.877 203 V CB 2.214 33.942 31.823 -0.159 0.000 0.996 203 V HN 0.552 nan 8.190 nan 0.000 0.425 204 P HA 0.057 nan 4.420 nan 0.000 0.266 204 P C 0.590 177.768 177.300 -0.202 0.000 1.195 204 P CA -0.091 62.805 63.100 -0.339 0.000 0.768 204 P CB 0.709 32.191 31.700 -0.364 0.000 0.838 205 L N 3.299 124.443 121.223 -0.133 0.000 2.093 205 L HA -0.016 4.324 4.340 0.000 0.000 0.208 205 L C 0.779 177.608 176.870 -0.068 0.000 1.085 205 L CA 1.802 56.588 54.840 -0.089 0.000 0.755 205 L CB -0.229 41.787 42.059 -0.072 0.000 0.904 205 L HN 0.287 nan 8.230 nan 0.000 0.435 206 R N -2.144 118.317 120.500 -0.065 0.000 2.832 206 R HA 0.595 4.935 4.340 0.000 0.000 0.271 206 R C 0.304 176.586 176.300 -0.030 0.000 0.996 206 R CA -0.019 56.058 56.100 -0.039 0.000 0.977 206 R CB 1.403 31.685 30.300 -0.030 0.000 1.168 206 R HN 0.113 nan 8.270 nan 0.000 0.482 207 G N 0.143 108.938 108.800 -0.010 0.000 2.551 207 G HA2 -0.208 3.752 3.960 0.000 0.000 0.186 207 G HA3 -0.208 3.752 3.960 0.000 0.000 0.186 207 G C 0.034 174.943 174.900 0.015 0.000 1.002 207 G CA -0.100 45.004 45.100 0.007 0.000 0.723 207 G HN 0.582 nan 8.290 nan 0.000 0.481 208 T N 1.078 115.639 114.554 0.011 0.000 2.875 208 T HA 0.582 4.932 4.350 0.000 0.000 0.284 208 T C 1.693 176.405 174.700 0.019 0.000 0.995 208 T CA -0.092 62.018 62.100 0.016 0.000 1.060 208 T CB 0.785 69.663 68.868 0.016 0.000 0.967 208 T HN 0.799 nan 8.240 nan 0.000 0.476 209 I N 1.130 121.715 120.570 0.024 0.000 3.956 209 I HA 0.325 4.495 4.170 0.000 0.000 0.333 209 I C 0.584 176.725 176.117 0.041 0.000 1.302 209 I CA -0.512 60.807 61.300 0.032 0.000 1.122 209 I CB -0.149 37.872 38.000 0.035 0.000 1.013 209 I HN 0.597 nan 8.210 nan 0.000 0.405 210 S N 1.215 116.939 115.700 0.040 0.000 3.682 210 S HA -0.151 4.319 4.470 0.000 0.000 0.354 210 S C 0.434 175.088 174.600 0.090 0.000 1.034 210 S CA 0.695 58.928 58.200 0.055 0.000 1.084 210 S CB -1.735 61.493 63.200 0.046 0.000 0.903 210 S HN 0.933 nan 8.310 nan 0.000 0.470 211 A N 1.232 124.108 122.820 0.093 0.000 3.671 211 A HA 0.929 5.249 4.320 0.000 0.000 0.178 211 A C 1.653 179.273 177.584 0.061 0.000 0.921 211 A CA 0.517 52.662 52.037 0.181 0.000 1.117 211 A CB -1.031 18.068 19.000 0.166 0.000 1.632 211 A HN 1.448 nan 8.150 nan 0.000 0.722 212 S N -1.035 114.492 115.700 -0.289 0.000 2.532 212 S HA 0.251 4.721 4.470 0.000 0.000 0.297 212 S C 2.125 176.558 174.600 -0.278 0.000 0.956 212 S CA 2.037 59.654 58.200 -0.972 0.000 0.965 212 S CB -1.599 61.072 63.200 -0.882 0.000 0.717 212 S HN 2.646 nan 8.310 nan 0.000 0.526 213 G N 0.057 108.876 108.800 0.032 0.000 2.499 213 G HA2 -0.152 3.808 3.960 0.000 0.000 0.232 213 G HA3 -0.152 3.808 3.960 0.000 0.000 0.232 213 G C -0.591 174.333 174.900 0.040 0.000 1.251 213 G CA -0.038 45.132 45.100 0.115 0.000 0.917 213 G HN 0.425 nan 8.290 nan 0.000 0.580 214 D N 1.831 122.255 120.400 0.040 0.000 2.934 214 D HA 0.297 4.937 4.640 0.000 0.000 0.237 214 D C 2.079 178.387 176.300 0.014 0.000 1.158 214 D CA -0.017 53.999 54.000 0.026 0.000 0.971 214 D CB 0.018 40.835 40.800 0.028 0.000 1.123 214 D HN 0.394 nan 8.370 nan 0.000 0.467 215 L N -0.084 121.134 121.223 -0.007 0.000 1.989 215 L HA -0.220 4.120 4.340 0.000 0.000 0.211 215 L C 2.518 179.381 176.870 -0.013 0.000 1.071 215 L CA 1.091 55.913 54.840 -0.030 0.000 0.749 215 L CB -0.469 41.557 42.059 -0.055 0.000 0.890 215 L HN 0.159 nan 8.230 nan 0.000 0.431 216 S N -0.175 115.535 115.700 0.017 0.000 2.348 216 S HA -0.067 4.403 4.470 0.000 0.000 0.221 216 S C -0.351 174.367 174.600 0.197 0.000 1.033 216 S CA 1.652 59.901 58.200 0.082 0.000 1.010 216 S CB -0.998 62.265 63.200 0.106 0.000 0.891 216 S HN 0.206 nan 8.310 nan 0.000 0.442 217 P HA -0.038 nan 4.420 nan 0.000 0.217 217 P C 1.517 178.897 177.300 0.134 0.000 1.150 217 P CA 0.963 64.140 63.100 0.128 0.000 0.832 217 P CB -0.241 31.475 31.700 0.026 0.000 0.787 218 L N -0.473 120.794 121.223 0.072 0.000 2.131 218 L HA -0.118 4.223 4.340 0.000 0.000 0.210 218 L C 2.575 179.463 176.870 0.030 0.000 1.092 218 L CA 1.341 56.208 54.840 0.044 0.000 0.759 218 L CB -0.932 41.139 42.059 0.019 0.000 0.903 218 L HN -0.015 nan 8.230 nan 0.000 0.435 219 S N -1.345 114.362 115.700 0.012 0.000 2.383 219 S HA -0.149 4.321 4.470 0.000 0.000 0.227 219 S C 1.834 176.362 174.600 -0.120 0.000 1.026 219 S CA 0.913 59.064 58.200 -0.083 0.000 0.981 219 S CB -0.296 62.799 63.200 -0.174 0.000 0.818 219 S HN 0.330 nan 8.310 nan 0.000 0.472 220 Y N 1.631 121.900 120.300 -0.052 0.000 2.181 220 Y HA -0.075 4.475 4.550 0.000 0.000 0.288 220 Y C 2.084 177.984 175.900 0.000 0.000 1.146 220 Y CA 0.912 58.991 58.100 -0.036 0.000 1.164 220 Y CB -0.472 37.973 38.460 -0.026 0.000 0.982 220 Y HN 0.207 nan 8.280 nan 0.000 0.515 221 I N -0.770 119.887 120.570 0.145 0.000 2.252 221 I HA -0.321 3.849 4.170 0.000 0.000 0.245 221 I C 2.576 178.700 176.117 0.012 0.000 1.102 221 I CA 1.136 62.489 61.300 0.090 0.000 1.385 221 I CB -0.612 37.425 38.000 0.061 0.000 1.064 221 I HN 0.181 nan 8.210 nan 0.000 0.414 222 A N 0.739 123.550 122.820 -0.014 0.000 1.902 222 A HA -0.191 4.129 4.320 0.000 0.000 0.217 222 A C 2.526 180.093 177.584 -0.028 0.000 1.181 222 A CA 1.936 53.947 52.037 -0.043 0.000 0.623 222 A CB -0.886 18.089 19.000 -0.042 0.000 0.818 222 A HN 0.435 nan 8.150 nan 0.000 0.443 223 A N -0.337 122.467 122.820 -0.027 0.000 1.972 223 A HA 0.191 4.511 4.320 0.000 0.000 0.219 223 A C 2.454 180.094 177.584 0.092 0.000 1.169 223 A CA 1.977 54.022 52.037 0.014 0.000 0.635 223 A CB -0.855 18.067 19.000 -0.130 0.000 0.810 223 A HN 0.998 nan 8.150 nan 0.000 0.446 224 A N 0.768 123.653 122.820 0.109 0.000 1.873 224 A HA -0.053 4.267 4.320 0.000 0.000 0.215 224 A C 2.104 179.804 177.584 0.194 0.000 1.186 224 A CA 1.417 53.594 52.037 0.234 0.000 0.616 224 A CB -0.766 18.453 19.000 0.365 0.000 0.823 224 A HN 0.971 nan 8.150 nan 0.000 0.442 225 I N -1.498 119.007 120.570 -0.107 0.000 2.830 225 I HA -0.077 4.093 4.170 0.000 0.000 0.263 225 I C 1.747 177.821 176.117 -0.072 0.000 1.230 225 I CA 1.683 62.786 61.300 -0.328 0.000 1.480 225 I CB -0.245 37.417 38.000 -0.564 0.000 1.095 225 I HN 0.286 nan 8.210 nan 0.000 0.455 226 S N 0.533 116.231 115.700 -0.003 0.000 2.577 226 S HA 0.378 4.848 4.470 0.000 0.000 0.219 226 S C 1.520 176.160 174.600 0.067 0.000 0.962 226 S CA 0.122 58.337 58.200 0.024 0.000 0.921 226 S CB -0.133 63.075 63.200 0.012 0.000 0.789 226 S HN 0.821 nan 8.310 nan 0.000 0.497 227 G N 2.208 111.081 108.800 0.121 0.000 2.273 227 G HA2 -0.291 3.669 3.960 0.000 0.000 0.280 227 G HA3 -0.291 3.669 3.960 0.000 0.000 0.280 227 G C -0.057 174.914 174.900 0.119 0.000 1.047 227 G CA 0.193 45.373 45.100 0.134 0.000 0.869 227 G HN 0.789 nan 8.290 nan 0.000 0.502 228 H N 0.738 119.838 119.070 0.050 0.000 3.064 228 H HA 0.091 4.647 4.556 0.000 0.000 0.329 228 H C -0.867 174.488 175.328 0.046 0.000 1.020 228 H CA -0.297 55.767 56.048 0.028 0.000 1.402 228 H CB 1.074 30.841 29.762 0.009 0.000 1.379 228 H HN 0.130 nan 8.280 nan 0.000 0.594 229 P HA -0.090 nan 4.420 nan 0.000 0.225 229 P C 0.612 178.007 177.300 0.158 0.000 1.148 229 P CA 1.275 64.380 63.100 0.008 0.000 0.779 229 P CB 0.342 31.970 31.700 -0.121 0.000 0.780 230 D N -1.638 119.049 120.400 0.480 0.000 2.402 230 D HA 0.051 4.691 4.640 0.000 0.000 0.216 230 D C -0.130 176.357 176.300 0.311 0.000 1.128 230 D CA -0.042 54.191 54.000 0.390 0.000 0.833 230 D CB -0.137 40.832 40.800 0.281 0.000 0.971 230 D HN -0.129 nan 8.370 nan 0.000 0.503 231 S N 0.252 116.147 115.700 0.326 0.000 2.489 231 S HA 0.315 4.785 4.470 0.000 0.000 0.277 231 S C -0.118 174.613 174.600 0.218 0.000 1.230 231 S CA -0.488 57.840 58.200 0.214 0.000 1.053 231 S CB 0.504 63.825 63.200 0.202 0.000 0.955 231 S HN -0.005 nan 8.310 nan 0.000 0.488 232 K N 2.813 123.284 120.400 0.118 0.000 2.156 232 K HA 0.636 4.956 4.320 0.000 0.000 0.254 232 K C -0.596 176.045 176.600 0.068 0.000 0.950 232 K CA -0.859 55.435 56.287 0.012 0.000 0.849 232 K CB 1.847 34.291 32.500 -0.094 0.000 1.100 232 K HN 0.591 nan 8.250 nan 0.000 0.434 233 V N -1.289 118.648 119.914 0.039 0.000 3.078 233 V HA 0.425 4.545 4.120 0.000 0.000 0.311 233 V C -0.795 175.338 176.094 0.065 0.000 1.138 233 V CA -0.919 61.416 62.300 0.058 0.000 1.007 233 V CB 1.993 33.817 31.823 0.002 0.000 1.045 233 V HN 0.854 nan 8.190 nan 0.000 0.432 234 H N 2.797 121.867 119.070 0.000 0.000 2.467 234 H HA 0.820 5.376 4.556 -0.000 0.000 0.326 234 H C -0.972 174.357 175.328 0.002 0.000 1.094 234 H CA 0.247 56.307 56.048 0.021 0.000 1.253 234 H CB 1.833 31.616 29.762 0.036 0.000 1.439 234 H HN 1.061 nan 8.280 nan 0.000 0.479 235 V N 2.328 122.007 119.914 -0.393 0.000 3.147 235 V HA 0.482 4.602 4.120 0.000 0.000 0.306 235 V C -1.142 174.800 176.094 -0.253 0.000 1.209 235 V CA -0.961 61.233 62.300 -0.176 0.000 1.023 235 V CB 1.628 33.454 31.823 0.005 0.000 1.059 235 V HN 0.433 nan 8.190 nan 0.000 0.435 236 V N 3.865 123.763 119.914 -0.025 0.000 2.394 236 V HA 0.612 4.732 4.120 0.000 0.000 0.282 236 V C -0.308 175.881 176.094 0.159 0.000 1.031 236 V CA -0.039 62.282 62.300 0.035 0.000 0.881 236 V CB 0.831 32.700 31.823 0.078 0.000 0.982 236 V HN 1.180 nan 8.190 nan 0.000 0.451 237 H N 4.198 123.269 119.070 0.001 0.000 3.026 237 H HA 0.265 4.821 4.556 0.000 0.000 0.352 237 H C -0.133 175.184 175.328 -0.019 0.000 1.090 237 H CA -0.372 55.681 56.048 0.008 0.000 1.268 237 H CB 1.655 31.410 29.762 -0.011 0.000 1.816 237 H HN 0.840 nan 8.280 nan 0.000 0.518 238 E N 2.941 122.851 120.200 -0.482 0.000 2.360 238 E HA -0.232 4.118 4.350 0.000 0.000 0.238 238 E C 0.848 177.362 176.600 -0.143 0.000 1.186 238 E CA 0.866 57.063 56.400 -0.339 0.000 0.719 238 E CB -1.424 28.043 29.700 -0.387 0.000 1.236 238 E HN 1.080 nan 8.360 nan 0.000 0.386 239 G N 0.366 109.115 108.800 -0.084 0.000 2.166 239 G HA2 -0.405 3.555 3.960 0.000 0.000 0.260 239 G HA3 -0.405 3.555 3.960 0.000 0.000 0.260 239 G C 0.130 175.017 174.900 -0.021 0.000 0.986 239 G CA 1.231 46.309 45.100 -0.037 0.000 0.683 239 G HN 0.544 nan 8.290 nan 0.000 0.527 240 K N -0.399 119.988 120.400 -0.021 0.000 2.435 240 K HA 0.702 5.022 4.320 0.000 0.000 0.251 240 K C -0.453 176.139 176.600 -0.013 0.000 0.954 240 K CA -1.138 55.141 56.287 -0.013 0.000 0.820 240 K CB 2.035 34.517 32.500 -0.031 0.000 1.292 240 K HN 0.121 nan 8.250 nan 0.000 0.436 241 E N 1.732 121.925 120.200 -0.012 0.000 2.344 241 E HA 0.104 4.454 4.350 0.000 0.000 0.270 241 E C -0.878 175.660 176.600 -0.103 0.000 1.021 241 E CA 0.023 56.381 56.400 -0.069 0.000 0.887 241 E CB 0.896 30.644 29.700 0.080 0.000 0.997 241 E HN 0.304 nan 8.360 nan 0.000 0.429 242 K N 2.613 122.899 120.400 -0.191 0.000 2.426 242 K HA 0.502 4.822 4.320 0.000 0.000 0.251 242 K C -0.711 175.839 176.600 -0.083 0.000 0.941 242 K CA -0.729 55.498 56.287 -0.100 0.000 0.808 242 K CB 1.897 34.362 32.500 -0.058 0.000 1.265 242 K HN 0.358 nan 8.250 nan 0.000 0.432 243 I N 4.003 124.624 120.570 0.085 0.000 2.362 243 I HA 0.354 4.524 4.170 0.000 0.000 0.289 243 I C -0.595 175.531 176.117 0.016 0.000 0.994 243 I CA -0.612 60.741 61.300 0.089 0.000 1.158 243 I CB 0.822 38.924 38.000 0.170 0.000 1.315 243 I HN 0.284 nan 8.210 nan 0.000 0.451 244 L N 5.250 126.442 121.223 -0.051 0.000 2.279 244 L HA 0.525 4.865 4.340 0.000 0.000 0.262 244 L C -0.825 175.969 176.870 -0.127 0.000 1.019 244 L CA -1.112 53.681 54.840 -0.077 0.000 0.823 244 L CB 1.359 43.402 42.059 -0.027 0.000 1.358 244 L HN 0.288 nan 8.230 nan 0.000 0.432 245 Y N 0.132 120.452 120.300 0.033 0.000 2.578 245 Y HA 0.032 4.582 4.550 0.000 0.000 0.339 245 Y C 1.276 177.207 175.900 0.051 0.000 1.231 245 Y CA 0.741 58.870 58.100 0.047 0.000 1.461 245 Y CB 0.792 39.278 38.460 0.044 0.000 1.323 245 Y HN 0.692 nan 8.280 nan 0.000 0.590 246 A N 3.451 126.427 122.820 0.260 0.000 1.908 246 A HA -0.231 4.089 4.320 0.000 0.000 0.218 246 A C 2.247 179.939 177.584 0.181 0.000 1.181 246 A CA 1.946 54.108 52.037 0.209 0.000 0.627 246 A CB -0.464 18.700 19.000 0.273 0.000 0.818 246 A HN 0.924 nan 8.150 nan 0.000 0.445 247 R N -0.445 120.158 120.500 0.173 0.000 2.096 247 R HA -0.119 4.221 4.340 0.000 0.000 0.235 247 R C 2.160 178.510 176.300 0.083 0.000 1.127 247 R CA 1.493 57.662 56.100 0.116 0.000 0.968 247 R CB -0.302 30.043 30.300 0.076 0.000 0.861 247 R HN 0.710 nan 8.270 nan 0.000 0.440 248 E N 0.752 121.009 120.200 0.095 0.000 2.058 248 E HA -0.136 4.214 4.350 0.000 0.000 0.194 248 E C 0.956 177.551 176.600 -0.008 0.000 0.997 248 E CA 0.917 57.343 56.400 0.043 0.000 0.801 248 E CB -0.143 29.601 29.700 0.073 0.000 0.746 248 E HN 0.314 nan 8.360 nan 0.000 0.450 252 L N -0.753 120.314 121.223 -0.259 0.000 2.131 252 L HA -0.028 4.312 4.340 0.000 0.000 0.210 252 L C 1.538 177.947 176.870 -0.769 0.000 1.092 252 L CA 1.523 56.010 54.840 -0.588 0.000 0.759 252 L CB -0.309 41.187 42.059 -0.939 0.000 0.903 252 L HN 0.489 nan 8.230 nan 0.000 0.435 253 F N -1.501 118.339 119.950 -0.184 0.000 2.639 253 F HA 0.226 4.753 4.527 -0.000 0.000 0.302 253 F C 1.022 176.710 175.800 -0.187 0.000 1.097 253 F CA -0.417 57.409 58.000 -0.290 0.000 1.294 253 F CB -0.243 38.406 39.000 -0.585 0.000 1.027 253 F HN 0.012 nan 8.300 nan 0.000 0.550 254 N N 1.496 120.192 118.700 -0.006 0.000 2.747 254 N HA -0.209 4.531 4.740 0.000 0.000 0.249 254 N C -0.718 174.831 175.510 0.065 0.000 1.107 254 N CA 0.405 53.468 53.050 0.022 0.000 0.707 254 N CB -1.244 37.255 38.487 0.021 0.000 1.054 254 N HN 0.288 nan 8.380 nan 0.000 0.555 255 L N 0.299 121.579 121.223 0.095 0.000 2.334 255 L HA 0.365 4.705 4.340 0.000 0.000 0.277 255 L C 0.745 177.683 176.870 0.113 0.000 1.075 255 L CA -0.551 54.368 54.840 0.132 0.000 0.804 255 L CB 1.066 43.248 42.059 0.204 0.000 1.174 255 L HN -0.027 nan 8.230 nan 0.000 0.438 256 E N 3.011 123.271 120.200 0.100 0.000 2.191 256 E HA 0.391 4.741 4.350 0.000 0.000 0.278 256 E C -2.198 174.451 176.600 0.080 0.000 0.972 256 E CA -1.823 54.623 56.400 0.076 0.000 0.804 256 E CB 1.277 31.008 29.700 0.053 0.000 1.110 256 E HN 0.327 nan 8.360 nan 0.000 0.394 257 P HA 0.045 nan 4.420 nan 0.000 0.269 257 P C -0.083 177.234 177.300 0.027 0.000 1.209 257 P CA -0.331 62.805 63.100 0.060 0.000 0.776 257 P CB 0.475 32.208 31.700 0.056 0.000 0.876 258 V N 0.139 120.056 119.914 0.004 0.000 2.743 258 V HA 0.466 4.586 4.120 0.000 0.000 0.301 258 V C -0.133 175.958 176.094 -0.004 0.000 1.057 258 V CA -0.709 61.587 62.300 -0.006 0.000 1.006 258 V CB 1.516 33.323 31.823 -0.026 0.000 1.024 258 V HN 0.253 nan 8.190 nan 0.000 0.473 259 V N 4.956 124.868 119.914 -0.004 0.000 2.384 259 V HA 0.381 4.501 4.120 0.000 0.000 0.287 259 V C 0.167 176.258 176.094 -0.006 0.000 1.020 259 V CA -0.527 61.770 62.300 -0.005 0.000 0.850 259 V CB 1.227 33.048 31.823 -0.004 0.000 0.987 259 V HN 0.798 nan 8.190 nan 0.000 0.436 260 L N 4.861 126.080 121.223 -0.006 0.000 2.410 260 L HA 0.468 4.809 4.340 0.000 0.000 0.273 260 L C 1.119 177.987 176.870 -0.002 0.000 1.152 260 L CA 0.374 55.211 54.840 -0.006 0.000 0.855 260 L CB 0.381 42.437 42.059 -0.006 0.000 1.129 260 L HN 0.777 nan 8.230 nan 0.000 0.463 261 G N 3.358 112.158 108.800 -0.001 0.000 2.702 261 G HA2 0.523 4.483 3.960 0.000 0.000 0.254 261 G HA3 0.523 4.483 3.960 0.000 0.000 0.254 261 G C -2.714 172.189 174.900 0.004 0.000 1.380 261 G CA -1.353 43.747 45.100 0.001 0.000 1.042 261 G HN 0.360 nan 8.290 nan 0.000 0.557 262 P HA 0.128 nan 4.420 nan 0.000 0.264 262 P C 0.148 177.457 177.300 0.014 0.000 1.193 262 P CA 0.486 63.589 63.100 0.006 0.000 0.763 262 P CB 1.086 32.785 31.700 -0.002 0.000 0.810 263 K N 2.773 123.185 120.400 0.021 0.000 3.606 263 K HA -0.263 4.057 4.320 0.000 0.000 0.289 263 K C 0.935 177.550 176.600 0.026 0.000 1.221 263 K CA 2.195 58.500 56.287 0.031 0.000 1.028 263 K CB -2.206 30.318 32.500 0.039 0.000 1.299 263 K HN 0.542 nan 8.250 nan 0.000 0.454 264 E N -0.893 119.317 120.200 0.017 0.000 2.208 264 E HA -0.003 4.347 4.350 0.000 0.000 0.193 264 E C 1.891 178.494 176.600 0.005 0.000 0.988 264 E CA 0.816 57.222 56.400 0.010 0.000 0.828 264 E CB -0.192 29.509 29.700 0.003 0.000 0.763 264 E HN 0.566 nan 8.360 nan 0.000 0.478 265 G N 1.763 110.567 108.800 0.007 0.000 2.453 265 G HA2 -0.249 3.711 3.960 0.000 0.000 0.215 265 G HA3 -0.249 3.711 3.960 0.000 0.000 0.215 265 G C 1.587 176.489 174.900 0.004 0.000 1.201 265 G CA 0.462 45.564 45.100 0.003 0.000 0.784 265 G HN 0.085 nan 8.290 nan 0.000 0.545 266 L N 0.902 122.135 121.223 0.017 0.000 2.083 266 L HA 0.001 4.341 4.340 0.000 0.000 0.209 266 L C 3.192 180.080 176.870 0.030 0.000 1.083 266 L CA 0.905 55.758 54.840 0.022 0.000 0.752 266 L CB -0.706 41.377 42.059 0.040 0.000 0.899 266 L HN 0.351 nan 8.230 nan 0.000 0.433 267 G N 0.128 108.947 108.800 0.031 0.000 2.442 267 G HA2 -0.220 3.740 3.960 0.000 0.000 0.219 267 G HA3 -0.220 3.740 3.960 0.000 0.000 0.219 267 G C 1.613 176.525 174.900 0.021 0.000 1.141 267 G CA 0.668 45.788 45.100 0.033 0.000 0.763 267 G HN 0.256 nan 8.290 nan 0.000 0.554 268 L N 0.290 121.517 121.223 0.007 0.000 2.162 268 L HA 0.058 4.398 4.340 0.000 0.000 0.205 268 L C 2.896 179.764 176.870 -0.002 0.000 1.086 268 L CA 0.773 55.611 54.840 -0.004 0.000 0.778 268 L CB -0.107 41.941 42.059 -0.019 0.000 0.928 268 L HN 0.256 nan 8.230 nan 0.000 0.446 269 V N -4.167 115.743 119.914 -0.007 0.000 3.174 269 V HA 0.176 4.296 4.120 0.000 0.000 0.254 269 V C 0.705 176.791 176.094 -0.014 0.000 1.120 269 V CA 0.153 62.443 62.300 -0.017 0.000 1.114 269 V CB -0.407 31.390 31.823 -0.044 0.000 0.756 269 V HN 0.245 nan 8.190 nan 0.000 0.467 270 N N 1.818 120.518 118.700 0.000 0.000 2.444 270 N HA 0.659 5.399 4.740 0.000 0.000 0.271 270 N C 0.169 175.732 175.510 0.087 0.000 1.069 270 N CA 1.278 54.333 53.050 0.009 0.000 0.965 270 N CB 1.163 39.672 38.487 0.038 0.000 1.092 270 N HN 0.820 nan 8.380 nan 0.000 0.476 271 G N -0.281 108.594 108.800 0.126 0.000 2.368 271 G HA2 0.039 3.999 3.960 0.000 0.000 0.302 271 G HA3 0.039 3.999 3.960 0.000 0.000 0.302 271 G C -0.123 174.838 174.900 0.102 0.000 1.329 271 G CA -0.092 45.086 45.100 0.131 0.000 0.935 271 G HN 0.436 nan 8.290 nan 0.000 0.590 272 T N -2.575 112.024 114.554 0.075 0.000 3.129 272 T HA 0.566 4.916 4.350 0.000 0.000 0.267 272 T C 1.983 176.700 174.700 0.029 0.000 1.018 272 T CA 1.290 63.423 62.100 0.055 0.000 0.903 272 T CB 0.795 69.691 68.868 0.047 0.000 1.067 272 T HN 1.761 nan 8.240 nan 0.000 0.549 273 A N 1.211 124.045 122.820 0.024 0.000 2.019 273 A HA 0.142 4.462 4.320 0.000 0.000 0.219 273 A C 2.266 179.854 177.584 0.007 0.000 1.164 273 A CA 1.337 53.380 52.037 0.010 0.000 0.644 273 A CB -0.781 18.224 19.000 0.007 0.000 0.805 273 A HN 0.440 nan 8.150 nan 0.000 0.449 274 V N -0.676 119.245 119.914 0.012 0.000 2.302 274 V HA -0.161 3.959 4.120 0.000 0.000 0.243 274 V C 2.730 178.825 176.094 0.002 0.000 1.036 274 V CA 2.135 64.439 62.300 0.006 0.000 1.020 274 V CB -0.871 30.958 31.823 0.009 0.000 0.657 274 V HN 0.525 nan 8.190 nan 0.000 0.453 275 S N 0.534 116.239 115.700 0.009 0.000 2.370 275 S HA -0.207 4.263 4.470 0.000 0.000 0.226 275 S C 2.195 176.795 174.600 -0.000 0.000 1.033 275 S CA 1.610 59.814 58.200 0.007 0.000 1.011 275 S CB -0.525 62.685 63.200 0.017 0.000 0.852 275 S HN 0.643 nan 8.310 nan 0.000 0.457 276 A N 0.891 123.710 122.820 -0.001 0.000 1.930 276 A HA 0.058 4.378 4.320 0.000 0.000 0.217 276 A C 1.583 179.156 177.584 -0.017 0.000 1.175 276 A CA 0.973 53.004 52.037 -0.010 0.000 0.627 276 A CB -0.654 18.339 19.000 -0.012 0.000 0.815 276 A HN 0.436 nan 8.150 nan 0.000 0.443 280 T N 1.390 115.930 114.554 -0.023 0.000 2.708 280 T HA -0.069 4.281 4.350 0.000 0.000 0.266 280 T C 1.871 176.579 174.700 0.012 0.000 1.037 280 T CA 1.794 63.882 62.100 -0.020 0.000 1.146 280 T CB -0.423 68.426 68.868 -0.032 0.000 0.865 280 T HN 0.338 nan 8.240 nan 0.000 0.435 281 L N 0.766 121.983 121.223 -0.010 0.000 2.017 281 L HA -0.107 4.233 4.340 0.000 0.000 0.208 281 L C 3.031 179.923 176.870 0.036 0.000 1.073 281 L CA 1.356 56.186 54.840 -0.017 0.000 0.745 281 L CB -0.661 41.370 42.059 -0.046 0.000 0.894 281 L HN 0.234 nan 8.230 nan 0.000 0.432 282 A N -0.242 122.588 122.820 0.017 0.000 1.902 282 A HA -0.203 4.117 4.320 0.000 0.000 0.217 282 A C 2.206 179.796 177.584 0.009 0.000 1.181 282 A CA 1.617 53.663 52.037 0.016 0.000 0.623 282 A CB -0.648 18.351 19.000 -0.002 0.000 0.818 282 A HN 0.321 nan 8.150 nan 0.000 0.443 283 L N -0.639 120.580 121.223 -0.008 0.000 2.027 283 L HA -0.175 4.165 4.340 0.000 0.000 0.206 283 L C 2.427 179.270 176.870 -0.045 0.000 1.074 283 L CA 2.644 57.432 54.840 -0.087 0.000 0.745 283 L CB -0.818 41.184 42.059 -0.095 0.000 0.898 283 L HN 0.648 nan 8.230 nan 0.000 0.433 284 H N -0.172 118.914 119.070 0.026 0.000 2.289 284 H HA -0.216 4.340 4.556 -0.000 0.000 0.294 284 H C 1.616 176.992 175.328 0.081 0.000 1.095 284 H CA 2.411 58.533 56.048 0.124 0.000 1.256 284 H CB -0.140 29.672 29.762 0.083 0.000 1.359 284 H HN 0.409 nan 8.280 nan 0.000 0.487 285 D N 0.503 121.045 120.400 0.237 0.000 2.117 285 D HA -0.063 4.577 4.640 0.000 0.000 0.198 285 D C 2.362 178.682 176.300 0.034 0.000 0.982 285 D CA 1.289 55.370 54.000 0.135 0.000 0.828 285 D CB -0.627 40.244 40.800 0.117 0.000 0.967 285 D HN 0.508 nan 8.370 nan 0.000 0.464 286 A N 1.456 124.273 122.820 -0.004 0.000 1.908 286 A HA -0.164 4.156 4.320 0.000 0.000 0.218 286 A C 1.237 178.809 177.584 -0.019 0.000 1.181 286 A CA 1.082 53.097 52.037 -0.036 0.000 0.627 286 A CB -0.717 18.229 19.000 -0.089 0.000 0.818 286 A HN 0.247 nan 8.150 nan 0.000 0.445 290 S N 0.911 116.640 115.700 0.050 0.000 2.359 290 S HA -0.117 4.353 4.470 0.000 0.000 0.224 290 S C 1.870 176.493 174.600 0.039 0.000 1.035 290 S CA 1.803 60.038 58.200 0.058 0.000 1.018 290 S CB -0.162 63.082 63.200 0.073 0.000 0.876 290 S HN 0.321 nan 8.310 nan 0.000 0.448 291 L N 0.648 121.883 121.223 0.020 0.000 2.046 291 L HA -0.068 4.272 4.340 0.000 0.000 0.208 291 L C 2.549 179.412 176.870 -0.012 0.000 1.077 291 L CA 0.942 55.777 54.840 -0.008 0.000 0.747 291 L CB -0.619 41.421 42.059 -0.033 0.000 0.896 291 L HN 0.358 nan 8.230 nan 0.000 0.432 292 L N -0.434 120.787 121.223 -0.004 0.000 2.046 292 L HA -0.213 4.127 4.340 0.000 0.000 0.208 292 L C 2.764 179.633 176.870 -0.002 0.000 1.077 292 L CA 1.913 56.751 54.840 -0.005 0.000 0.747 292 L CB -0.654 41.411 42.059 0.011 0.000 0.896 292 L HN 0.168 nan 8.230 nan 0.000 0.432 293 S N -1.133 114.584 115.700 0.029 0.000 2.374 293 S HA -0.282 4.188 4.470 0.000 0.000 0.227 293 S C 1.952 176.567 174.600 0.025 0.000 1.037 293 S CA 1.848 60.079 58.200 0.053 0.000 1.024 293 S CB -0.208 63.052 63.200 0.100 0.000 0.861 293 S HN 0.703 nan 8.310 nan 0.000 0.456 294 Q N 0.085 119.890 119.800 0.009 0.000 2.123 294 Q HA 0.000 4.340 4.340 0.000 0.000 0.199 294 Q C 2.523 178.486 176.000 -0.062 0.000 0.966 294 Q CA 1.583 57.373 55.803 -0.022 0.000 0.845 294 Q CB -0.222 28.499 28.738 -0.029 0.000 0.907 294 Q HN 0.502 nan 8.270 nan 0.000 0.439 295 S N 1.063 116.730 115.700 -0.056 0.000 2.368 295 S HA -0.086 4.384 4.470 0.000 0.000 0.225 295 S C 1.938 176.487 174.600 -0.086 0.000 1.030 295 S CA 0.887 59.048 58.200 -0.065 0.000 0.999 295 S CB -0.167 63.005 63.200 -0.048 0.000 0.844 295 S HN 0.264 nan 8.310 nan 0.000 0.459 296 L N 1.010 122.163 121.223 -0.117 0.000 2.093 296 L HA -0.113 4.227 4.340 0.000 0.000 0.208 296 L C 2.646 179.424 176.870 -0.152 0.000 1.085 296 L CA 1.073 55.770 54.840 -0.237 0.000 0.755 296 L CB -1.104 40.698 42.059 -0.429 0.000 0.904 296 L HN 0.301 nan 8.230 nan 0.000 0.435 297 T N 0.095 114.615 114.554 -0.057 0.000 2.652 297 T HA -0.101 4.249 4.350 0.000 0.000 0.267 297 T C 1.217 175.892 174.700 -0.042 0.000 1.039 297 T CA 0.912 63.013 62.100 0.002 0.000 1.153 297 T CB -0.278 68.601 68.868 0.017 0.000 0.863 297 T HN 0.430 nan 8.240 nan 0.000 0.428 301 V N 2.447 122.382 119.914 0.034 0.000 2.282 301 V HA -0.233 3.887 4.120 0.000 0.000 0.249 301 V C 2.430 178.527 176.094 0.005 0.000 1.057 301 V CA 2.424 64.759 62.300 0.059 0.000 1.032 301 V CB -0.556 31.337 31.823 0.118 0.000 0.645 301 V HN 0.548 nan 8.190 nan 0.000 0.447 302 E N 0.265 120.451 120.200 -0.023 0.000 2.051 302 E HA -0.067 4.283 4.350 0.000 0.000 0.192 302 E C 1.411 177.819 176.600 -0.319 0.000 0.991 302 E CA 0.943 57.304 56.400 -0.064 0.000 0.799 302 E CB -0.250 29.436 29.700 -0.023 0.000 0.748 302 E HN 0.656 nan 8.360 nan 0.000 0.449 306 G N 0.100 108.875 108.800 -0.042 0.000 2.510 306 G HA2 0.620 4.580 3.960 0.000 0.000 0.280 306 G HA3 0.620 4.580 3.960 0.000 0.000 0.280 306 G C -0.864 173.950 174.900 -0.143 0.000 1.386 306 G CA -0.721 44.354 45.100 -0.042 0.000 1.047 306 G HN 0.690 nan 8.290 nan 0.000 0.527 307 H N -0.868 118.247 119.070 0.075 0.000 2.556 307 H HA 0.477 5.033 4.556 0.000 0.000 0.310 307 H C 1.124 176.522 175.328 0.118 0.000 1.057 307 H CA 0.182 56.267 56.048 0.062 0.000 1.264 307 H CB 1.847 31.632 29.762 0.038 0.000 1.404 307 H HN 0.490 nan 8.280 nan 0.000 0.462 308 A N 3.128 126.042 122.820 0.157 0.000 2.121 308 A HA -0.068 4.252 4.320 0.000 0.000 0.218 308 A C 2.469 180.249 177.584 0.327 0.000 1.154 308 A CA 1.315 53.510 52.037 0.264 0.000 0.679 308 A CB -0.707 18.294 19.000 0.002 0.000 0.795 308 A HN 0.859 nan 8.150 nan 0.000 0.458 309 G N -0.583 108.355 108.800 0.230 0.000 2.470 309 G HA2 -0.104 3.856 3.960 0.000 0.000 0.220 309 G HA3 -0.104 3.856 3.960 0.000 0.000 0.220 309 G C 1.558 176.468 174.900 0.017 0.000 1.121 309 G CA 1.093 46.289 45.100 0.161 0.000 0.766 309 G HN 0.498 nan 8.290 nan 0.000 0.553 310 S N 0.396 115.983 115.700 -0.189 0.000 2.469 310 S HA -0.006 4.464 4.470 0.000 0.000 0.238 310 S C 1.219 175.511 174.600 -0.513 0.000 0.998 310 S CA 0.628 58.530 58.200 -0.497 0.000 0.957 310 S CB -0.243 62.435 63.200 -0.869 0.000 0.764 310 S HN 0.426 nan 8.310 nan 0.000 0.514 311 F N -0.001 120.090 119.950 0.235 0.000 2.653 311 F HA 0.299 4.826 4.527 0.000 0.000 0.304 311 F C 0.992 176.930 175.800 0.230 0.000 1.092 311 F CA -0.892 57.225 58.000 0.195 0.000 1.279 311 F CB -0.346 38.695 39.000 0.069 0.000 1.044 311 F HN 0.185 nan 8.300 nan 0.000 0.564 312 H N 4.759 123.960 119.070 0.220 0.000 2.928 312 H HA 0.026 4.582 4.556 0.000 0.000 0.338 312 H C -1.532 173.939 175.328 0.239 0.000 1.047 312 H CA -1.176 54.968 56.048 0.159 0.000 1.435 312 H CB 1.455 31.212 29.762 -0.010 0.000 1.428 312 H HN -0.044 nan 8.280 nan 0.000 0.590 313 P HA -0.184 nan 4.420 nan 0.000 0.221 313 P C 1.551 179.032 177.300 0.303 0.000 1.145 313 P CA 0.805 64.023 63.100 0.197 0.000 0.795 313 P CB -0.225 31.497 31.700 0.036 0.000 0.775 314 F N 0.896 121.088 119.950 0.405 0.000 2.202 314 F HA -0.117 4.410 4.527 -0.000 0.000 0.301 314 F C 1.899 177.709 175.800 0.016 0.000 1.082 314 F CA 1.312 59.412 58.000 0.166 0.000 1.313 314 F CB -0.681 38.347 39.000 0.047 0.000 1.024 314 F HN -0.250 nan 8.300 nan 0.000 0.495 315 L N -0.844 120.375 121.223 -0.006 0.000 2.599 315 L HA -0.034 4.306 4.340 0.000 0.000 0.230 315 L C 1.392 177.801 176.870 -0.768 0.000 1.141 315 L CA 0.199 54.809 54.840 -0.383 0.000 0.877 315 L CB -0.420 41.423 42.059 -0.359 0.000 1.009 315 L HN 0.302 nan 8.230 nan 0.000 0.447 316 H N -2.091 116.951 119.070 -0.047 0.000 2.984 316 H HA 0.080 4.636 4.556 0.000 0.000 0.137 316 H C 1.067 176.363 175.328 -0.053 0.000 1.110 316 H CA 0.151 56.185 56.048 -0.023 0.000 1.070 316 H CB -0.201 29.584 29.762 0.038 0.000 1.019 316 H HN 0.028 nan 8.280 nan 0.000 0.291 317 D N 1.397 121.866 120.400 0.115 0.000 2.133 317 D HA -0.116 4.524 4.640 0.000 0.000 0.195 317 D C 2.097 178.374 176.300 -0.039 0.000 0.997 317 D CA 1.361 55.385 54.000 0.039 0.000 0.840 317 D CB 0.036 40.870 40.800 0.056 0.000 0.947 317 D HN 0.052 nan 8.370 nan 0.000 0.452 318 V N 0.070 119.919 119.914 -0.109 0.000 2.426 318 V HA -0.101 4.019 4.120 0.000 0.000 0.242 318 V C 2.457 178.377 176.094 -0.290 0.000 1.036 318 V CA 1.924 64.110 62.300 -0.189 0.000 1.044 318 V CB -0.505 31.169 31.823 -0.248 0.000 0.688 318 V HN 0.388 nan 8.190 nan 0.000 0.462 319 T N -2.004 112.303 114.554 -0.411 0.000 3.040 319 T HA 0.075 4.425 4.350 0.000 0.000 0.252 319 T C 1.214 175.776 174.700 -0.230 0.000 1.064 319 T CA 0.251 62.123 62.100 -0.382 0.000 1.110 319 T CB 0.141 68.695 68.868 -0.523 0.000 0.921 319 T HN 0.324 nan 8.240 nan 0.000 0.480 320 R N 1.988 122.376 120.500 -0.187 0.000 2.754 320 R HA 0.277 4.617 4.340 0.000 0.000 0.255 320 R C -2.863 173.371 176.300 -0.110 0.000 1.723 320 R CA -1.418 54.599 56.100 -0.137 0.000 1.596 320 R CB 1.289 31.546 30.300 -0.072 0.000 1.424 320 R HN 0.095 nan 8.270 nan 0.000 0.662 321 P HA 0.056 nan 4.420 nan 0.000 0.226 321 P C -0.751 176.492 177.300 -0.094 0.000 1.758 321 P CA -0.222 62.825 63.100 -0.087 0.000 0.896 321 P CB -0.210 31.439 31.700 -0.084 0.000 1.784 322 H N 1.490 120.570 119.070 0.016 0.000 3.046 322 H HA 0.025 4.581 4.556 0.000 0.000 0.303 322 H C -1.310 174.033 175.328 0.025 0.000 1.002 322 H CA -0.939 55.120 56.048 0.018 0.000 1.460 322 H CB 0.232 30.007 29.762 0.021 0.000 1.493 322 H HN 0.149 nan 8.280 nan 0.000 0.559 323 P HA -0.165 nan 4.420 nan 0.000 0.216 323 P C 1.542 178.884 177.300 0.070 0.000 1.150 323 P CA 2.062 65.206 63.100 0.075 0.000 0.843 323 P CB 0.223 31.957 31.700 0.057 0.000 0.787 324 T N -4.319 110.281 114.554 0.077 0.000 3.043 324 T HA -0.050 4.300 4.350 0.000 0.000 0.263 324 T C 1.921 176.653 174.700 0.053 0.000 1.094 324 T CA 0.418 62.547 62.100 0.048 0.000 1.127 324 T CB -0.652 68.234 68.868 0.031 0.000 0.905 324 T HN 0.123 nan 8.240 nan 0.000 0.490 325 Q N 0.785 120.642 119.800 0.095 0.000 2.046 325 Q HA -0.020 4.320 4.340 0.000 0.000 0.200 325 Q C 2.242 178.279 176.000 0.061 0.000 0.975 325 Q CA 1.380 57.251 55.803 0.113 0.000 0.836 325 Q CB -0.365 28.502 28.738 0.216 0.000 0.896 325 Q HN 0.611 nan 8.270 nan 0.000 0.428 326 I N 0.843 121.465 120.570 0.087 0.000 2.151 326 I HA -0.333 3.837 4.170 0.000 0.000 0.243 326 I C 2.527 178.642 176.117 -0.003 0.000 1.080 326 I CA 1.744 63.075 61.300 0.052 0.000 1.339 326 I CB -0.457 37.581 38.000 0.062 0.000 1.039 326 I HN 0.432 nan 8.210 nan 0.000 0.409 327 E N 0.941 121.145 120.200 0.006 0.000 2.031 327 E HA -0.204 4.146 4.350 0.000 0.000 0.193 327 E C 2.299 178.884 176.600 -0.025 0.000 0.994 327 E CA 1.843 58.237 56.400 -0.010 0.000 0.800 327 E CB 0.088 29.786 29.700 -0.003 0.000 0.752 327 E HN 0.275 nan 8.360 nan 0.000 0.447 328 V N 1.309 121.212 119.914 -0.019 0.000 2.307 328 V HA -0.237 3.883 4.120 0.000 0.000 0.245 328 V C 2.521 178.584 176.094 -0.051 0.000 1.045 328 V CA 1.773 64.061 62.300 -0.019 0.000 1.024 328 V CB -0.815 31.022 31.823 0.023 0.000 0.651 328 V HN 0.469 nan 8.190 nan 0.000 0.449 329 A N 0.605 123.356 122.820 -0.114 0.000 1.908 329 A HA -0.118 4.203 4.320 0.000 0.000 0.218 329 A C 2.415 179.962 177.584 -0.061 0.000 1.181 329 A CA 2.013 53.959 52.037 -0.150 0.000 0.627 329 A CB -1.228 17.360 19.000 -0.688 0.000 0.818 329 A HN 0.535 nan 8.150 nan 0.000 0.445 330 G N -0.122 108.642 108.800 -0.059 0.000 2.418 330 G HA2 -0.265 3.695 3.960 0.000 0.000 0.217 330 G HA3 -0.265 3.695 3.960 0.000 0.000 0.217 330 G C 1.423 176.295 174.900 -0.047 0.000 1.158 330 G CA 1.077 46.159 45.100 -0.031 0.000 0.771 330 G HN 0.528 nan 8.290 nan 0.000 0.545 331 N N 0.774 119.437 118.700 -0.063 0.000 2.084 331 N HA -0.048 4.692 4.740 0.000 0.000 0.190 331 N C 2.247 177.687 175.510 -0.118 0.000 1.030 331 N CA 0.925 53.930 53.050 -0.074 0.000 0.849 331 N CB -0.314 38.133 38.487 -0.067 0.000 1.012 331 N HN 0.361 nan 8.380 nan 0.000 0.423 332 I N 0.753 121.206 120.570 -0.194 0.000 2.252 332 I HA -0.187 3.984 4.170 0.000 0.000 0.245 332 I C 2.589 178.516 176.117 -0.316 0.000 1.102 332 I CA 0.684 61.757 61.300 -0.378 0.000 1.385 332 I CB -0.198 37.340 38.000 -0.771 0.000 1.064 332 I HN 0.096 nan 8.210 nan 0.000 0.414 333 R N 1.683 122.087 120.500 -0.160 0.000 2.096 333 R HA -0.265 4.075 4.340 0.000 0.000 0.240 333 R C 2.330 178.633 176.300 0.006 0.000 1.139 333 R CA 2.067 58.170 56.100 0.005 0.000 0.952 333 R CB -0.186 30.163 30.300 0.080 0.000 0.854 333 R HN 0.187 nan 8.270 nan 0.000 0.436 334 K N 0.358 120.745 120.400 -0.021 0.000 2.026 334 K HA -0.124 4.196 4.320 0.000 0.000 0.208 334 K C 2.127 178.720 176.600 -0.010 0.000 1.048 334 K CA 1.581 57.861 56.287 -0.011 0.000 0.929 334 K CB -0.129 32.357 32.500 -0.024 0.000 0.713 334 K HN 0.222 nan 8.250 nan 0.000 0.439 335 L N 0.690 121.888 121.223 -0.041 0.000 2.083 335 L HA -0.179 4.161 4.340 0.000 0.000 0.209 335 L C 2.149 179.023 176.870 0.006 0.000 1.083 335 L CA 0.996 55.817 54.840 -0.031 0.000 0.752 335 L CB -0.284 41.732 42.059 -0.071 0.000 0.899 335 L HN 0.253 nan 8.230 nan 0.000 0.433 336 L N -0.788 120.443 121.223 0.013 0.000 2.492 336 L HA -0.002 4.338 4.340 0.000 0.000 0.223 336 L C 0.724 177.724 176.870 0.215 0.000 1.132 336 L CA -0.064 54.837 54.840 0.102 0.000 0.850 336 L CB -0.239 41.871 42.059 0.085 0.000 0.966 336 L HN 0.198 nan 8.230 nan 0.000 0.454 337 E N 0.461 120.745 120.200 0.140 0.000 2.465 337 E HA 0.105 4.455 4.350 0.000 0.000 0.260 337 E C 1.120 177.760 176.600 0.067 0.000 0.980 337 E CA 0.677 57.139 56.400 0.103 0.000 0.927 337 E CB 0.359 30.085 29.700 0.044 0.000 0.934 337 E HN 0.320 nan 8.360 nan 0.000 0.459 338 G N 2.904 111.698 108.800 -0.009 0.000 2.179 338 G HA2 -0.337 3.623 3.960 0.000 0.000 0.260 338 G HA3 -0.337 3.623 3.960 0.000 0.000 0.260 338 G C 0.451 175.397 174.900 0.076 0.000 0.977 338 G CA 0.395 45.488 45.100 -0.013 0.000 0.641 338 G HN 0.554 nan 8.290 nan 0.000 0.533 339 S N -0.374 115.458 115.700 0.220 0.000 2.549 339 S HA 0.470 4.940 4.470 0.000 0.000 0.283 339 S C 1.494 176.268 174.600 0.291 0.000 1.320 339 S CA 0.255 58.615 58.200 0.267 0.000 1.058 339 S CB 0.499 63.890 63.200 0.317 0.000 0.882 339 S HN 0.442 nan 8.310 nan 0.000 0.498 340 R N 2.810 123.417 120.500 0.178 0.000 2.393 340 R HA 0.190 4.531 4.340 0.000 0.000 0.244 340 R C 0.401 176.822 176.300 0.202 0.000 0.920 340 R CA 0.154 56.362 56.100 0.180 0.000 1.076 340 R CB 0.123 30.527 30.300 0.175 0.000 1.119 340 R HN 0.561 nan 8.270 nan 0.000 0.524 341 F N 1.115 121.212 119.950 0.244 0.000 2.243 341 F HA 0.264 4.791 4.527 -0.000 0.000 0.287 341 F C 1.500 177.358 175.800 0.097 0.000 1.067 341 F CA -0.218 57.883 58.000 0.168 0.000 1.304 341 F CB -0.443 38.573 39.000 0.026 0.000 1.087 341 F HN -0.113 nan 8.300 nan 0.000 0.513 342 A N 0.851 123.823 122.820 0.252 0.000 2.445 342 A HA 0.411 4.731 4.320 0.000 0.000 0.242 342 A C -0.221 177.297 177.584 -0.110 0.000 1.075 342 A CA -0.293 51.755 52.037 0.018 0.000 0.777 342 A CB -0.002 18.960 19.000 -0.063 0.000 1.013 342 A HN -0.017 nan 8.150 nan 0.000 0.493 343 V N 4.692 124.500 119.914 -0.176 0.000 2.461 343 V HA 0.201 4.321 4.120 0.000 0.000 0.275 343 V C 0.317 176.305 176.094 -0.176 0.000 1.047 343 V CA -0.195 62.022 62.300 -0.139 0.000 0.955 343 V CB 0.429 32.110 31.823 -0.237 0.000 0.988 343 V HN 0.894 nan 8.190 nan 0.000 0.471 344 H N 3.973 123.112 119.070 0.114 0.000 2.525 344 H HA 0.295 4.851 4.556 -0.000 0.000 0.340 344 H C 0.725 176.159 175.328 0.177 0.000 1.168 344 H CA -0.387 55.758 56.048 0.161 0.000 1.247 344 H CB 1.788 31.628 29.762 0.130 0.000 1.568 344 H HN 0.796 nan 8.280 nan 0.000 0.536 345 H N 2.182 121.410 119.070 0.264 0.000 2.399 345 H HA -0.079 4.477 4.556 0.000 0.000 0.300 345 H C 1.132 176.548 175.328 0.146 0.000 1.048 345 H CA 0.915 57.074 56.048 0.184 0.000 1.370 345 H CB 0.486 30.367 29.762 0.199 0.000 1.428 345 H HN 0.658 nan 8.280 nan 0.000 0.534 346 E N 1.555 121.715 120.200 -0.067 0.000 2.482 346 E HA -0.086 4.265 4.350 0.000 0.000 0.200 346 E C 0.274 176.848 176.600 -0.043 0.000 1.147 346 E CA 0.389 56.713 56.400 -0.126 0.000 0.912 346 E CB -0.100 29.610 29.700 0.016 0.000 0.938 346 E HN 0.759 nan 8.360 nan 0.000 0.519 347 E N 0.324 120.528 120.200 0.007 0.000 3.100 347 E HA 0.009 4.359 4.350 0.000 0.000 0.191 347 E C 1.583 178.191 176.600 0.012 0.000 1.097 347 E CA 0.129 56.541 56.400 0.020 0.000 1.339 347 E CB -0.339 29.406 29.700 0.075 0.000 1.330 347 E HN 0.217 nan 8.360 nan 0.000 0.511 348 E N 2.028 122.267 120.200 0.065 0.000 2.164 348 E HA -0.197 4.153 4.350 0.000 0.000 0.206 348 E C 1.074 177.699 176.600 0.042 0.000 1.032 348 E CA 1.728 58.178 56.400 0.083 0.000 0.832 348 E CB -0.091 29.710 29.700 0.168 0.000 0.742 348 E HN 0.113 nan 8.360 nan 0.000 0.460 355 E N 0.225 120.428 120.200 0.005 0.000 2.715 355 E HA 0.391 4.741 4.350 0.000 0.000 0.224 355 E C 0.960 177.563 176.600 0.005 0.000 0.962 355 E CA -0.011 56.393 56.400 0.007 0.000 1.145 355 E CB 1.115 30.820 29.700 0.009 0.000 1.083 355 E HN 0.279 nan 8.360 nan 0.000 0.506 356 G N 2.284 111.085 108.800 0.002 0.000 2.249 356 G HA2 -0.304 3.656 3.960 0.000 0.000 0.273 356 G HA3 -0.304 3.656 3.960 0.000 0.000 0.273 356 G C 0.201 175.101 174.900 -0.001 0.000 1.036 356 G CA 0.135 45.235 45.100 -0.000 0.000 0.824 356 G HN 0.284 nan 8.290 nan 0.000 0.504 357 I N 0.002 120.573 120.570 0.001 0.000 2.556 357 I HA 0.217 4.387 4.170 0.000 0.000 0.284 357 I C 1.066 177.185 176.117 0.004 0.000 1.114 357 I CA -0.522 60.780 61.300 0.003 0.000 1.418 357 I CB 1.120 39.123 38.000 0.006 0.000 1.394 357 I HN 0.229 nan 8.210 nan 0.000 0.552 358 L N 7.807 129.033 121.223 0.005 0.000 2.325 358 L HA 0.235 4.575 4.340 0.000 0.000 0.284 358 L C 1.032 177.914 176.870 0.019 0.000 1.089 358 L CA 0.161 55.004 54.840 0.006 0.000 0.836 358 L CB -0.066 41.994 42.059 0.002 0.000 1.184 358 L HN 0.591 nan 8.230 nan 0.000 0.444 359 R N 2.468 122.973 120.500 0.009 0.000 2.308 359 R HA 0.207 4.547 4.340 0.000 0.000 0.202 359 R C -0.218 176.063 176.300 -0.032 0.000 0.898 359 R CA -0.151 55.956 56.100 0.012 0.000 1.046 359 R CB 0.373 30.672 30.300 -0.001 0.000 1.026 359 R HN 0.606 nan 8.270 nan 0.000 0.512 360 Q N 0.760 120.532 119.800 -0.046 0.000 2.399 360 Q HA 0.234 4.574 4.340 0.000 0.000 0.276 360 Q C -0.928 175.067 176.000 -0.008 0.000 1.098 360 Q CA -0.774 54.960 55.803 -0.116 0.000 0.827 360 Q CB 1.411 30.087 28.738 -0.104 0.000 1.386 360 Q HN -0.082 nan 8.270 nan 0.000 0.443 361 D N 1.180 121.590 120.400 0.017 0.000 2.449 361 D HA 0.055 4.695 4.640 0.000 0.000 0.236 361 D C 0.332 176.685 176.300 0.089 0.000 1.149 361 D CA 0.370 54.429 54.000 0.098 0.000 0.878 361 D CB 0.777 41.659 40.800 0.137 0.000 1.198 361 D HN 0.152 nan 8.370 nan 0.000 0.446 362 R N 1.001 121.549 120.500 0.079 0.000 2.652 362 R HA 0.074 4.414 4.340 0.000 0.000 0.271 362 R C 1.008 177.427 176.300 0.198 0.000 1.129 362 R CA -0.560 55.588 56.100 0.081 0.000 1.200 362 R CB 0.172 30.462 30.300 -0.016 0.000 1.146 362 R HN 0.455 nan 8.270 nan 0.000 0.581 363 Y N 0.623 120.895 120.300 -0.048 0.000 2.274 363 Y HA -0.059 4.491 4.550 -0.000 0.000 0.290 363 Y C -0.748 175.106 175.900 -0.076 0.000 1.145 363 Y CA 0.509 58.576 58.100 -0.055 0.000 1.203 363 Y CB -1.726 36.692 38.460 -0.070 0.000 0.984 363 Y HN 0.520 nan 8.280 nan 0.000 0.533 364 P HA -0.167 nan 4.420 nan 0.000 0.217 364 P C 1.563 178.892 177.300 0.048 0.000 1.148 364 P CA 1.675 64.756 63.100 -0.030 0.000 0.828 364 P CB -0.049 31.611 31.700 -0.067 0.000 0.783 365 L N -1.804 119.477 121.223 0.096 0.000 2.200 365 L HA 0.135 4.475 4.340 0.000 0.000 0.200 365 L C 2.708 179.670 176.870 0.153 0.000 1.072 365 L CA 0.623 55.568 54.840 0.175 0.000 0.787 365 L CB -0.523 41.642 42.059 0.178 0.000 0.957 365 L HN -0.220 nan 8.230 nan 0.000 0.459 366 R N 0.447 120.987 120.500 0.066 0.000 2.148 366 R HA -0.113 4.227 4.340 0.000 0.000 0.223 366 R C 1.754 178.016 176.300 -0.064 0.000 1.088 366 R CA 1.689 57.760 56.100 -0.049 0.000 0.985 366 R CB 0.019 30.302 30.300 -0.028 0.000 0.880 366 R HN 0.403 nan 8.270 nan 0.000 0.451 367 T N -2.195 112.352 114.554 -0.011 0.000 3.134 367 T HA 0.092 4.442 4.350 0.000 0.000 0.260 367 T C 1.456 176.249 174.700 0.156 0.000 1.027 367 T CA 0.220 62.324 62.100 0.008 0.000 0.913 367 T CB 0.444 69.247 68.868 -0.108 0.000 1.046 367 T HN 0.244 nan 8.240 nan 0.000 0.553 368 S N 2.421 118.238 115.700 0.195 0.000 2.368 368 S HA -0.005 4.465 4.470 0.000 0.000 0.225 368 S C -0.663 174.112 174.600 0.293 0.000 1.030 368 S CA 0.815 59.174 58.200 0.266 0.000 0.999 368 S CB -1.688 61.681 63.200 0.282 0.000 0.844 368 S HN 0.434 nan 8.310 nan 0.000 0.459 369 P HA 0.022 nan 4.420 nan 0.000 0.217 369 P C 1.356 178.774 177.300 0.197 0.000 1.151 369 P CA 1.141 64.362 63.100 0.203 0.000 0.828 369 P CB -0.144 31.626 31.700 0.117 0.000 0.788 370 Q N -2.063 117.870 119.800 0.222 0.000 2.230 370 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 370 Q C 1.903 178.008 176.000 0.175 0.000 0.963 370 Q CA 1.113 57.017 55.803 0.169 0.000 0.866 370 Q CB -0.718 28.105 28.738 0.140 0.000 0.931 370 Q HN 0.402 nan 8.270 nan 0.000 0.452 371 W N 0.028 121.352 121.300 0.041 0.000 2.441 371 W HA -0.009 4.651 4.660 0.000 0.000 0.302 371 W C 1.156 177.697 176.519 0.036 0.000 1.191 371 W CA 0.954 58.323 57.345 0.039 0.000 1.327 371 W CB 0.017 29.515 29.460 0.063 0.000 1.128 371 W HN 0.153 nan 8.180 nan 0.000 0.522 372 L N 0.218 121.595 121.223 0.257 0.000 2.179 372 L HA 0.016 4.356 4.340 0.000 0.000 0.208 372 L C 2.761 179.652 176.870 0.036 0.000 1.096 372 L CA 0.994 55.916 54.840 0.137 0.000 0.779 372 L CB -1.447 40.718 42.059 0.177 0.000 0.922 372 L HN -0.020 nan 8.230 nan 0.000 0.443 373 G N 1.441 110.264 108.800 0.039 0.000 2.529 373 G HA2 -0.249 3.711 3.960 0.000 0.000 0.219 373 G HA3 -0.249 3.711 3.960 0.000 0.000 0.219 373 G C -0.714 174.156 174.900 -0.049 0.000 1.177 373 G CA 0.987 46.090 45.100 0.005 0.000 0.773 373 G HN 0.310 nan 8.290 nan 0.000 0.573 374 P HA -0.058 nan 4.420 nan 0.000 0.215 374 P C 2.136 179.370 177.300 -0.110 0.000 1.153 374 P CA 1.324 64.335 63.100 -0.147 0.000 0.853 374 P CB -0.250 31.320 31.700 -0.217 0.000 0.788 375 L N -3.408 117.749 121.223 -0.111 0.000 2.217 375 L HA -0.018 4.322 4.340 0.000 0.000 0.211 375 L C 2.023 178.881 176.870 -0.019 0.000 1.107 375 L CA 1.545 56.341 54.840 -0.074 0.000 0.783 375 L CB -1.825 40.185 42.059 -0.081 0.000 0.919 375 L HN -0.230 nan 8.230 nan 0.000 0.442 376 V N -0.277 119.636 119.914 -0.000 0.000 2.343 376 V HA -0.244 3.876 4.120 0.000 0.000 0.247 376 V C 2.888 179.006 176.094 0.039 0.000 1.051 376 V CA 1.896 64.215 62.300 0.033 0.000 1.036 376 V CB -0.632 31.211 31.823 0.034 0.000 0.654 376 V HN 0.694 nan 8.190 nan 0.000 0.451 377 S N -0.345 115.366 115.700 0.017 0.000 2.382 377 S HA -0.233 4.237 4.470 0.000 0.000 0.228 377 S C 1.746 176.380 174.600 0.057 0.000 1.027 377 S CA 1.786 60.006 58.200 0.033 0.000 0.991 377 S CB -0.418 62.789 63.200 0.011 0.000 0.823 377 S HN 0.644 nan 8.310 nan 0.000 0.469 378 D N 1.230 121.643 120.400 0.021 0.000 2.117 378 D HA -0.040 4.600 4.640 0.000 0.000 0.197 378 D C 1.925 178.274 176.300 0.083 0.000 0.987 378 D CA 0.902 54.919 54.000 0.029 0.000 0.829 378 D CB -0.404 40.381 40.800 -0.025 0.000 0.961 378 D HN 0.391 nan 8.370 nan 0.000 0.460 379 L N 0.322 121.584 121.223 0.065 0.000 2.083 379 L HA -0.108 4.232 4.340 0.000 0.000 0.209 379 L C 2.462 179.451 176.870 0.199 0.000 1.083 379 L CA 0.657 55.540 54.840 0.072 0.000 0.752 379 L CB -0.279 41.808 42.059 0.048 0.000 0.899 379 L HN 0.028 nan 8.230 nan 0.000 0.433 380 I N -1.159 119.520 120.570 0.181 0.000 2.252 380 I HA -0.319 3.851 4.170 0.000 0.000 0.245 380 I C 2.710 178.896 176.117 0.115 0.000 1.102 380 I CA 1.142 62.530 61.300 0.146 0.000 1.385 380 I CB -0.592 37.446 38.000 0.063 0.000 1.064 380 I HN 0.366 nan 8.210 nan 0.000 0.414 381 H N 1.643 120.726 119.070 0.021 0.000 2.321 381 H HA -0.154 4.402 4.556 0.000 0.000 0.300 381 H C 2.225 177.536 175.328 -0.029 0.000 1.087 381 H CA 1.888 57.920 56.048 -0.026 0.000 1.319 381 H CB 0.175 29.947 29.762 0.016 0.000 1.379 381 H HN 0.318 nan 8.280 nan 0.000 0.501 382 A N 0.109 123.020 122.820 0.152 0.000 1.940 382 A HA -0.248 4.072 4.320 0.000 0.000 0.219 382 A C 2.248 179.834 177.584 0.003 0.000 1.176 382 A CA 1.947 54.030 52.037 0.078 0.000 0.631 382 A CB -1.063 17.973 19.000 0.060 0.000 0.814 382 A HN 0.664 nan 8.150 nan 0.000 0.446 383 H N -0.462 118.600 119.070 -0.013 0.000 2.353 383 H HA 0.048 4.604 4.556 0.000 0.000 0.300 383 H C 2.274 177.548 175.328 -0.091 0.000 1.090 383 H CA 1.871 57.928 56.048 0.015 0.000 1.327 383 H CB -0.124 29.708 29.762 0.117 0.000 1.383 383 H HN 0.434 nan 8.280 nan 0.000 0.508 384 A N -0.250 122.501 122.820 -0.116 0.000 1.933 384 A HA -0.117 4.203 4.320 0.000 0.000 0.218 384 A C 2.605 180.025 177.584 -0.274 0.000 1.175 384 A CA 1.596 53.444 52.037 -0.315 0.000 0.628 384 A CB -0.816 17.716 19.000 -0.780 0.000 0.814 384 A HN 0.317 nan 8.150 nan 0.000 0.444 385 V N 0.121 119.880 119.914 -0.258 0.000 2.270 385 V HA -0.241 3.879 4.120 0.000 0.000 0.245 385 V C 2.538 178.604 176.094 -0.047 0.000 1.043 385 V CA 1.946 64.216 62.300 -0.049 0.000 1.014 385 V CB -0.753 31.064 31.823 -0.011 0.000 0.645 385 V HN 0.570 nan 8.190 nan 0.000 0.447 386 L N -0.333 120.837 121.223 -0.089 0.000 2.201 386 L HA -0.151 4.189 4.340 0.000 0.000 0.212 386 L C 2.594 179.397 176.870 -0.111 0.000 1.105 386 L CA 1.612 56.395 54.840 -0.096 0.000 0.775 386 L CB -0.925 41.060 42.059 -0.124 0.000 0.913 386 L HN 0.391 nan 8.230 nan 0.000 0.440 387 T N 0.280 114.749 114.554 -0.140 0.000 2.746 387 T HA -0.164 4.186 4.350 0.000 0.000 0.267 387 T C 1.907 176.581 174.700 -0.043 0.000 1.039 387 T CA 1.370 63.413 62.100 -0.096 0.000 1.142 387 T CB -0.140 68.689 68.868 -0.065 0.000 0.866 387 T HN 0.213 nan 8.240 nan 0.000 0.444 388 I N 0.602 121.159 120.570 -0.022 0.000 2.252 388 I HA -0.121 4.050 4.170 0.000 0.000 0.245 388 I C 2.731 178.833 176.117 -0.025 0.000 1.102 388 I CA 1.216 62.513 61.300 -0.005 0.000 1.385 388 I CB -0.280 37.737 38.000 0.028 0.000 1.064 388 I HN 0.195 nan 8.210 nan 0.000 0.414 389 E N 1.427 121.612 120.200 -0.026 0.000 2.047 389 E HA -0.184 4.166 4.350 0.000 0.000 0.191 389 E C 2.088 178.667 176.600 -0.035 0.000 0.987 389 E CA 1.761 58.145 56.400 -0.027 0.000 0.799 389 E CB -0.120 29.568 29.700 -0.020 0.000 0.752 389 E HN 0.407 nan 8.360 nan 0.000 0.449 390 A N -0.619 122.176 122.820 -0.042 0.000 1.970 390 A HA 0.144 4.464 4.320 0.000 0.000 0.216 390 A C 2.237 179.794 177.584 -0.046 0.000 1.170 390 A CA 1.381 53.393 52.037 -0.042 0.000 0.645 390 A CB -0.481 18.491 19.000 -0.047 0.000 0.816 390 A HN 0.378 nan 8.150 nan 0.000 0.447 391 G N -1.944 106.827 108.800 -0.049 0.000 2.848 391 G HA2 0.287 4.247 3.960 0.000 0.000 0.213 391 G HA3 0.287 4.247 3.960 0.000 0.000 0.213 391 G C 0.904 175.752 174.900 -0.086 0.000 1.101 391 G CA 0.370 45.440 45.100 -0.049 0.000 0.778 391 G HN 0.504 nan 8.290 nan 0.000 0.536 392 Q N 0.116 119.856 119.800 -0.100 0.000 2.055 392 Q HA 0.311 4.651 4.340 0.000 0.000 0.226 392 Q C -0.746 175.158 176.000 -0.160 0.000 0.805 392 Q CA -0.093 55.612 55.803 -0.163 0.000 1.072 392 Q CB 1.649 30.356 28.738 -0.052 0.000 1.219 392 Q HN 0.167 nan 8.270 nan 0.000 0.451 393 S N 0.499 116.126 115.700 -0.122 0.000 2.521 393 S HA 0.493 4.963 4.470 0.000 0.000 0.295 393 S C -0.424 174.145 174.600 -0.052 0.000 1.098 393 S CA -0.536 57.619 58.200 -0.074 0.000 0.999 393 S CB 1.972 65.144 63.200 -0.047 0.000 1.034 393 S HN -0.008 nan 8.310 nan 0.000 0.483 394 T N 2.248 116.798 114.554 -0.007 0.000 2.744 394 T HA 0.403 4.753 4.350 0.000 0.000 0.291 394 T C 1.066 175.779 174.700 0.021 0.000 0.957 394 T CA -0.488 61.637 62.100 0.041 0.000 1.002 394 T CB 0.830 69.799 68.868 0.168 0.000 0.919 394 T HN 0.746 nan 8.240 nan 0.000 0.468 395 T N -1.181 113.394 114.554 0.036 0.000 3.091 395 T HA 0.157 4.507 4.350 0.000 0.000 0.277 395 T C 0.443 175.219 174.700 0.127 0.000 0.996 395 T CA -0.641 61.490 62.100 0.052 0.000 0.897 395 T CB 0.084 68.982 68.868 0.050 0.000 1.109 395 T HN 0.650 nan 8.240 nan 0.000 0.534 396 D N 1.451 121.923 120.400 0.119 0.000 2.469 396 D HA 0.440 5.080 4.640 0.000 0.000 0.278 396 D C -0.325 176.094 176.300 0.198 0.000 1.231 396 D CA -0.548 53.550 54.000 0.164 0.000 1.075 396 D CB 0.775 41.637 40.800 0.103 0.000 1.121 396 D HN 0.271 nan 8.370 nan 0.000 0.571 397 N N -1.816 117.004 118.700 0.201 0.000 3.171 397 N HA 0.302 5.042 4.740 0.000 0.000 0.239 397 N C -3.017 172.585 175.510 0.153 0.000 1.275 397 N CA -1.052 52.123 53.050 0.208 0.000 0.920 397 N CB 1.849 40.585 38.487 0.415 0.000 1.554 397 N HN 0.042 nan 8.380 nan 0.000 0.504 398 P HA 0.212 nan 4.420 nan 0.000 0.271 398 P C -0.783 176.528 177.300 0.019 0.000 1.233 398 P CA -0.027 63.075 63.100 0.003 0.000 0.789 398 P CB 0.583 32.150 31.700 -0.222 0.000 0.951 399 L N 1.028 122.252 121.223 0.002 0.000 2.342 399 L HA 0.493 4.833 4.340 0.000 0.000 0.271 399 L C -0.099 176.816 176.870 0.076 0.000 1.008 399 L CA -1.052 53.820 54.840 0.053 0.000 0.818 399 L CB 1.439 43.511 42.059 0.022 0.000 1.296 399 L HN 0.160 nan 8.230 nan 0.000 0.427 400 I N 1.739 122.375 120.570 0.110 0.000 2.362 400 I HA 0.220 4.390 4.170 0.000 0.000 0.289 400 I C -0.468 175.681 176.117 0.053 0.000 0.994 400 I CA -0.287 61.078 61.300 0.108 0.000 1.158 400 I CB 1.434 39.533 38.000 0.166 0.000 1.315 400 I HN 0.496 nan 8.210 nan 0.000 0.451 401 D N 6.447 126.837 120.400 -0.017 0.000 2.467 401 D HA 0.231 4.871 4.640 0.000 0.000 0.220 401 D C 0.836 176.969 176.300 -0.279 0.000 1.103 401 D CA -0.323 53.643 54.000 -0.057 0.000 0.886 401 D CB 1.426 42.258 40.800 0.053 0.000 1.025 401 D HN 0.239 nan 8.370 nan 0.000 0.514 402 V N 3.876 123.636 119.914 -0.256 0.000 2.453 402 V HA -0.159 3.961 4.120 0.000 0.000 0.247 402 V C 2.073 178.005 176.094 -0.270 0.000 1.048 402 V CA 1.489 63.551 62.300 -0.398 0.000 1.049 402 V CB -0.366 31.357 31.823 -0.166 0.000 0.672 402 V HN 0.553 nan 8.190 nan 0.000 0.457 403 E N 0.538 120.656 120.200 -0.136 0.000 2.153 403 E HA -0.151 4.199 4.350 0.000 0.000 0.194 403 E C 1.315 177.865 176.600 -0.084 0.000 0.988 403 E CA 1.180 57.532 56.400 -0.080 0.000 0.811 403 E CB -0.111 29.566 29.700 -0.038 0.000 0.746 403 E HN 0.584 nan 8.360 nan 0.000 0.466 404 N N 0.432 119.070 118.700 -0.103 0.000 2.214 404 N HA 0.062 4.802 4.740 0.000 0.000 0.214 404 N C -0.702 174.739 175.510 -0.116 0.000 1.132 404 N CA 0.103 53.110 53.050 -0.073 0.000 0.856 404 N CB 0.740 39.215 38.487 -0.019 0.000 1.020 404 N HN 0.024 nan 8.380 nan 0.000 0.509 405 K N 0.595 120.831 120.400 -0.274 0.000 3.148 405 K HA -0.167 4.153 4.320 0.000 0.000 0.267 405 K C -0.324 176.208 176.600 -0.114 0.000 0.996 405 K CA 0.605 56.687 56.287 -0.342 0.000 0.737 405 K CB -1.447 31.071 32.500 0.029 0.000 1.308 405 K HN 0.175 nan 8.250 nan 0.000 0.470 406 T N -0.895 113.514 114.554 -0.243 0.000 2.843 406 T HA 0.534 4.884 4.350 0.000 0.000 0.302 406 T C -1.252 173.397 174.700 -0.085 0.000 1.232 406 T CA -0.030 62.034 62.100 -0.059 0.000 1.009 406 T CB 1.760 70.536 68.868 -0.152 0.000 1.254 406 T HN 0.268 nan 8.240 nan 0.000 0.504 407 S N 1.802 117.439 115.700 -0.106 0.000 2.600 407 S HA 0.765 5.235 4.470 0.000 0.000 0.300 407 S C -1.282 173.077 174.600 -0.402 0.000 1.087 407 S CA -0.799 57.322 58.200 -0.130 0.000 0.965 407 S CB 1.393 64.579 63.200 -0.024 0.000 1.089 407 S HN 0.765 nan 8.310 nan 0.000 0.496 408 H N 0.583 119.543 119.070 -0.183 0.000 2.679 408 H HA 0.376 4.932 4.556 0.000 0.000 0.360 408 H C -0.984 174.167 175.328 -0.294 0.000 1.105 408 H CA -0.547 55.404 56.048 -0.162 0.000 1.196 408 H CB 1.542 31.253 29.762 -0.086 0.000 1.636 408 H HN 0.706 nan 8.280 nan 0.000 0.531 409 H N 1.715 120.871 119.070 0.143 0.000 2.623 409 H HA 0.343 4.899 4.556 0.000 0.000 0.299 409 H C 0.342 175.721 175.328 0.085 0.000 1.052 409 H CA -0.273 55.840 56.048 0.108 0.000 1.231 409 H CB 1.697 31.509 29.762 0.084 0.000 1.389 409 H HN 0.873 nan 8.280 nan 0.000 0.469 410 G N 0.794 109.675 108.800 0.136 0.000 3.247 410 G HA2 0.455 4.415 3.960 0.000 0.000 0.226 410 G HA3 0.455 4.415 3.960 0.000 0.000 0.226 410 G C 0.067 174.902 174.900 -0.107 0.000 1.220 410 G CA -0.358 44.750 45.100 0.014 0.000 0.875 410 G HN 0.521 nan 8.290 nan 0.000 0.606 411 G N -0.380 108.211 108.800 -0.348 0.000 4.773 411 G HA2 0.190 4.150 3.960 0.000 0.000 0.269 411 G HA3 0.190 4.150 3.960 0.000 0.000 0.269 411 G C 0.305 174.633 174.900 -0.953 0.000 0.992 411 G CA -0.133 44.442 45.100 -0.875 0.000 0.775 411 G HN 0.275 nan 8.290 nan 0.000 0.471 412 N N 0.923 119.248 118.700 -0.624 0.000 2.573 412 N HA -0.032 4.708 4.740 0.000 0.000 0.187 412 N C 1.563 176.933 175.510 -0.233 0.000 1.107 412 N CA 0.384 53.237 53.050 -0.328 0.000 0.918 412 N CB -0.198 38.196 38.487 -0.156 0.000 0.966 412 N HN 0.616 nan 8.380 nan 0.000 0.448 413 F N 0.057 120.015 119.950 0.013 0.000 2.780 413 F HA 0.238 4.765 4.527 0.000 0.000 0.299 413 F C 0.908 176.716 175.800 0.014 0.000 1.146 413 F CA -0.657 57.351 58.000 0.014 0.000 1.428 413 F CB -0.852 38.160 39.000 0.022 0.000 1.115 413 F HN -0.217 nan 8.300 nan 0.000 0.583 414 Q N 2.397 122.183 119.800 -0.024 0.000 2.325 414 Q HA 0.408 4.748 4.340 0.000 0.000 0.256 414 Q C 0.462 176.487 176.000 0.042 0.000 1.142 414 Q CA 0.091 55.941 55.803 0.079 0.000 0.902 414 Q CB 0.781 29.494 28.738 -0.042 0.000 1.350 414 Q HN 0.371 nan 8.270 nan 0.000 0.449 415 A N 4.013 126.880 122.820 0.078 0.000 2.543 415 A HA 0.354 4.674 4.320 0.000 0.000 0.258 415 A C 1.426 179.029 177.584 0.032 0.000 1.391 415 A CA 0.557 52.623 52.037 0.048 0.000 1.066 415 A CB -0.646 18.388 19.000 0.056 0.000 0.972 415 A HN 0.863 nan 8.150 nan 0.000 0.560 416 A N 0.060 122.894 122.820 0.024 0.000 1.969 416 A HA 0.154 4.474 4.320 0.000 0.000 0.218 416 A C 2.398 179.996 177.584 0.023 0.000 1.169 416 A CA 1.657 53.707 52.037 0.021 0.000 0.635 416 A CB -0.626 18.383 19.000 0.014 0.000 0.810 416 A HN 1.110 nan 8.150 nan 0.000 0.445 417 A N -0.392 122.440 122.820 0.019 0.000 1.908 417 A HA -0.057 4.263 4.320 0.000 0.000 0.218 417 A C 2.233 179.835 177.584 0.031 0.000 1.181 417 A CA 1.994 54.049 52.037 0.030 0.000 0.627 417 A CB -0.909 18.104 19.000 0.022 0.000 0.818 417 A HN 0.402 nan 8.150 nan 0.000 0.445 418 V N -0.321 119.606 119.914 0.021 0.000 2.307 418 V HA -0.189 3.931 4.120 0.000 0.000 0.245 418 V C 3.063 179.169 176.094 0.019 0.000 1.045 418 V CA 1.820 64.130 62.300 0.015 0.000 1.024 418 V CB -1.357 30.473 31.823 0.012 0.000 0.651 418 V HN 0.614 nan 8.190 nan 0.000 0.449 419 A N 0.579 123.412 122.820 0.022 0.000 1.908 419 A HA -0.326 3.994 4.320 0.000 0.000 0.218 419 A C 2.211 179.808 177.584 0.021 0.000 1.181 419 A CA 2.240 54.290 52.037 0.021 0.000 0.627 419 A CB -0.985 18.029 19.000 0.023 0.000 0.818 419 A HN 0.635 nan 8.150 nan 0.000 0.445 420 N N 0.256 118.972 118.700 0.027 0.000 2.060 420 N HA -0.153 4.587 4.740 0.000 0.000 0.195 420 N C 1.219 176.751 175.510 0.037 0.000 1.028 420 N CA 2.098 55.168 53.050 0.033 0.000 0.861 420 N CB -0.604 37.915 38.487 0.054 0.000 1.029 420 N HN 0.611 nan 8.380 nan 0.000 0.428 424 K N 1.135 121.528 120.400 -0.011 0.000 2.057 424 K HA 0.027 4.347 4.320 0.000 0.000 0.206 424 K C 2.007 178.595 176.600 -0.021 0.000 1.050 424 K CA 1.759 58.033 56.287 -0.022 0.000 0.935 424 K CB -0.083 32.402 32.500 -0.025 0.000 0.715 424 K HN -0.012 nan 8.250 nan 0.000 0.439 425 T N 1.086 115.631 114.554 -0.015 0.000 2.746 425 T HA -0.160 4.190 4.350 0.000 0.000 0.267 425 T C 1.887 176.580 174.700 -0.012 0.000 1.039 425 T CA 1.277 63.365 62.100 -0.021 0.000 1.142 425 T CB -0.118 68.732 68.868 -0.030 0.000 0.866 425 T HN 0.253 nan 8.240 nan 0.000 0.444 426 R N 0.156 120.651 120.500 -0.007 0.000 2.092 426 R HA -0.007 4.333 4.340 0.000 0.000 0.231 426 R C 2.324 178.626 176.300 0.003 0.000 1.119 426 R CA 0.896 56.996 56.100 0.001 0.000 0.970 426 R CB -0.373 29.927 30.300 -0.001 0.000 0.864 426 R HN 0.248 nan 8.270 nan 0.000 0.440 427 L N 0.169 121.387 121.223 -0.008 0.000 2.056 427 L HA 0.047 4.387 4.340 0.000 0.000 0.207 427 L C 2.085 178.949 176.870 -0.009 0.000 1.078 427 L CA 2.209 57.043 54.840 -0.010 0.000 0.749 427 L CB -0.993 41.049 42.059 -0.029 0.000 0.901 427 L HN 0.251 nan 8.230 nan 0.000 0.433 428 G N -0.328 108.461 108.800 -0.018 0.000 2.440 428 G HA2 -0.265 3.695 3.960 0.000 0.000 0.218 428 G HA3 -0.265 3.695 3.960 0.000 0.000 0.218 428 G C 1.614 176.531 174.900 0.029 0.000 1.154 428 G CA 1.186 46.277 45.100 -0.015 0.000 0.767 428 G HN 0.447 nan 8.290 nan 0.000 0.552 429 L N 0.641 121.884 121.223 0.033 0.000 2.083 429 L HA -0.067 4.273 4.340 0.000 0.000 0.209 429 L C 3.390 180.312 176.870 0.087 0.000 1.083 429 L CA 1.021 55.896 54.840 0.058 0.000 0.752 429 L CB -0.377 41.708 42.059 0.043 0.000 0.899 429 L HN 0.306 nan 8.230 nan 0.000 0.433 430 A N -0.824 122.042 122.820 0.077 0.000 1.930 430 A HA -0.190 4.130 4.320 0.000 0.000 0.217 430 A C 2.276 179.957 177.584 0.161 0.000 1.175 430 A CA 1.178 53.275 52.037 0.101 0.000 0.627 430 A CB -0.282 18.762 19.000 0.074 0.000 0.815 430 A HN 0.367 nan 8.150 nan 0.000 0.443 431 Q N -0.192 119.701 119.800 0.154 0.000 2.079 431 Q HA -0.047 4.293 4.340 0.000 0.000 0.200 431 Q C 2.125 178.389 176.000 0.439 0.000 0.974 431 Q CA 1.254 57.221 55.803 0.272 0.000 0.840 431 Q CB -0.485 28.259 28.738 0.011 0.000 0.898 431 Q HN 0.772 nan 8.270 nan 0.000 0.430 432 I N 0.343 121.076 120.570 0.273 0.000 2.179 432 I HA -0.228 3.942 4.170 0.000 0.000 0.242 432 I C 2.329 178.600 176.117 0.256 0.000 1.088 432 I CA 1.336 62.797 61.300 0.268 0.000 1.357 432 I CB -0.734 37.369 38.000 0.173 0.000 1.051 432 I HN 0.229 nan 8.210 nan 0.000 0.409 433 G N 0.881 109.811 108.800 0.216 0.000 2.446 433 G HA2 -0.353 3.607 3.960 0.000 0.000 0.217 433 G HA3 -0.353 3.607 3.960 0.000 0.000 0.217 433 G C 1.649 176.691 174.900 0.237 0.000 1.168 433 G CA 1.234 46.458 45.100 0.207 0.000 0.771 433 G HN 0.207 nan 8.290 nan 0.000 0.551 434 K N 0.092 120.640 120.400 0.248 0.000 2.063 434 K HA -0.042 4.278 4.320 0.000 0.000 0.208 434 K C 2.328 179.029 176.600 0.168 0.000 1.048 434 K CA 1.146 57.579 56.287 0.243 0.000 0.928 434 K CB -0.692 31.979 32.500 0.284 0.000 0.713 434 K HN 0.268 nan 8.250 nan 0.000 0.442 435 L N 1.069 122.369 121.223 0.128 0.000 1.994 435 L HA -0.155 4.185 4.340 0.000 0.000 0.208 435 L C 1.396 178.288 176.870 0.037 0.000 1.071 435 L CA 2.109 56.906 54.840 -0.071 0.000 0.745 435 L CB -0.840 41.217 42.059 -0.005 0.000 0.892 435 L HN 0.326 nan 8.230 nan 0.000 0.431 436 N N -1.472 117.319 118.700 0.153 0.000 2.223 436 N HA -0.226 4.514 4.740 0.000 0.000 0.185 436 N C 1.676 177.204 175.510 0.031 0.000 1.016 436 N CA 1.428 54.594 53.050 0.194 0.000 0.863 436 N CB -0.385 38.317 38.487 0.358 0.000 0.983 436 N HN 0.398 nan 8.380 nan 0.000 0.429 437 F N 1.913 121.854 119.950 -0.015 0.000 2.095 437 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 437 F C 2.544 178.279 175.800 -0.108 0.000 1.104 437 F CA 1.751 59.715 58.000 -0.061 0.000 1.232 437 F CB -1.008 37.987 39.000 -0.009 0.000 0.987 437 F HN 0.061 nan 8.300 nan 0.000 0.475 438 T N -1.691 112.717 114.554 -0.244 0.000 2.867 438 T HA -0.204 4.146 4.350 0.000 0.000 0.268 438 T C 1.784 176.291 174.700 -0.323 0.000 1.057 438 T CA 1.524 63.412 62.100 -0.353 0.000 1.136 438 T CB -0.698 68.069 68.868 -0.168 0.000 0.874 438 T HN 0.527 nan 8.240 nan 0.000 0.466 439 Q N 0.391 120.055 119.800 -0.226 0.000 2.020 439 Q HA 0.016 4.356 4.340 0.000 0.000 0.202 439 Q C 2.353 178.182 176.000 -0.284 0.000 0.982 439 Q CA 1.433 57.136 55.803 -0.166 0.000 0.838 439 Q CB -0.417 28.325 28.738 0.006 0.000 0.899 439 Q HN 0.400 nan 8.270 nan 0.000 0.423 440 L N 0.435 121.345 121.223 -0.521 0.000 1.989 440 L HA -0.193 4.147 4.340 0.000 0.000 0.211 440 L C 2.361 179.004 176.870 -0.380 0.000 1.071 440 L CA 2.258 56.775 54.840 -0.538 0.000 0.749 440 L CB -1.073 40.603 42.059 -0.639 0.000 0.890 440 L HN 0.162 nan 8.230 nan 0.000 0.431 441 T N -1.023 113.217 114.554 -0.524 0.000 2.915 441 T HA -0.135 4.215 4.350 0.000 0.000 0.269 441 T C 1.044 175.570 174.700 -0.291 0.000 1.071 441 T CA 0.661 62.487 62.100 -0.455 0.000 1.132 441 T CB -0.220 68.194 68.868 -0.757 0.000 0.878 441 T HN 0.546 nan 8.240 nan 0.000 0.479 445 N N 1.610 120.266 118.700 -0.074 0.000 2.457 445 N HA 0.423 5.163 4.740 0.000 0.000 0.250 445 N C 0.822 176.305 175.510 -0.044 0.000 0.982 445 N CA 0.619 53.634 53.050 -0.058 0.000 0.941 445 N CB 2.180 40.623 38.487 -0.072 0.000 1.120 445 N HN 0.194 nan 8.380 nan 0.000 0.505 446 A N 3.037 125.841 122.820 -0.028 0.000 2.019 446 A HA 0.086 4.406 4.320 0.000 0.000 0.219 446 A C 1.195 178.764 177.584 -0.024 0.000 1.164 446 A CA 1.224 53.249 52.037 -0.021 0.000 0.644 446 A CB -0.689 18.310 19.000 -0.002 0.000 0.805 446 A HN 0.634 nan 8.150 nan 0.000 0.449 450 R N 0.583 121.066 120.500 -0.028 0.000 3.422 450 R HA -0.118 4.222 4.340 0.000 0.000 0.267 450 R C 0.818 177.103 176.300 -0.026 0.000 1.074 450 R CA 0.993 57.082 56.100 -0.018 0.000 0.718 450 R CB -2.097 28.201 30.300 -0.005 0.000 1.157 450 R HN 1.006 nan 8.270 nan 0.000 0.440 451 G N -0.446 108.330 108.800 -0.040 0.000 2.143 451 G HA2 -0.322 3.638 3.960 0.000 0.000 0.249 451 G HA3 -0.322 3.638 3.960 0.000 0.000 0.249 451 G C 0.274 175.138 174.900 -0.059 0.000 0.981 451 G CA 0.212 45.280 45.100 -0.054 0.000 0.665 451 G HN 0.280 nan 8.290 nan 0.000 0.528 452 L N 1.214 122.401 121.223 -0.059 0.000 2.461 452 L HA 0.296 4.636 4.340 0.000 0.000 0.272 452 L C -1.388 175.450 176.870 -0.054 0.000 1.197 452 L CA -1.674 53.126 54.840 -0.068 0.000 0.836 452 L CB 0.352 42.365 42.059 -0.077 0.000 1.105 452 L HN -0.066 nan 8.230 nan 0.000 0.477 453 P HA -0.030 nan 4.420 nan 0.000 0.265 453 P C -0.639 176.659 177.300 -0.003 0.000 1.187 453 P CA -0.281 62.803 63.100 -0.026 0.000 0.766 453 P CB 0.357 32.045 31.700 -0.019 0.000 0.820 454 S N 1.809 117.518 115.700 0.016 0.000 2.563 454 S HA -0.051 4.419 4.470 0.000 0.000 0.294 454 S C 0.519 175.154 174.600 0.058 0.000 1.279 454 S CA -0.163 58.060 58.200 0.037 0.000 1.069 454 S CB -1.143 62.094 63.200 0.063 0.000 0.828 454 S HN 0.733 nan 8.310 nan 0.000 0.497 455 C N 2.290 121.620 119.300 0.050 0.000 4.265 455 C HA -0.207 4.253 4.460 0.000 0.000 0.287 455 C C 1.186 176.205 174.990 0.048 0.000 1.451 455 C CA 0.385 59.440 59.018 0.063 0.000 1.966 455 C CB -2.988 24.835 27.740 0.139 0.000 1.302 455 C HN 1.095 nan 8.230 nan 0.000 0.794 456 L N -3.093 118.147 121.223 0.028 0.000 3.839 456 L HA -0.300 4.040 4.340 0.000 0.000 0.416 456 L C 1.028 178.009 176.870 0.184 0.000 1.195 456 L CA 0.613 55.481 54.840 0.046 0.000 0.946 456 L CB -2.025 40.017 42.059 -0.029 0.000 1.891 456 L HN 0.865 nan 8.230 nan 0.000 0.963 457 A N -0.156 122.751 122.820 0.144 0.000 2.488 457 A HA 0.584 4.904 4.320 0.000 0.000 0.249 457 A C 1.342 178.970 177.584 0.074 0.000 1.083 457 A CA 0.549 52.662 52.037 0.126 0.000 0.768 457 A CB 0.919 19.952 19.000 0.054 0.000 1.017 457 A HN 0.540 nan 8.150 nan 0.000 0.496 458 A N 1.856 124.713 122.820 0.062 0.000 2.072 458 A HA 0.203 4.523 4.320 0.000 0.000 0.216 458 A C 1.028 178.592 177.584 -0.034 0.000 1.156 458 A CA 0.888 52.964 52.037 0.064 0.000 0.701 458 A CB -0.047 19.081 19.000 0.212 0.000 0.816 458 A HN 0.801 nan 8.150 nan 0.000 0.458 459 E N -0.291 119.855 120.200 -0.090 0.000 2.504 459 E HA 0.234 4.584 4.350 0.000 0.000 0.235 459 E C -1.354 175.222 176.600 -0.039 0.000 0.827 459 E CA -0.909 55.415 56.400 -0.125 0.000 0.903 459 E CB -0.091 29.445 29.700 -0.274 0.000 1.622 459 E HN 0.072 nan 8.360 nan 0.000 0.392 460 D N 2.464 122.865 120.400 0.002 0.000 2.472 460 D HA 0.030 4.670 4.640 0.000 0.000 0.248 460 D C -1.619 174.677 176.300 -0.006 0.000 1.174 460 D CA -1.058 52.955 54.000 0.020 0.000 0.883 460 D CB 0.519 41.347 40.800 0.047 0.000 1.149 460 D HN 0.017 nan 8.370 nan 0.000 0.488 461 P HA -0.123 nan 4.420 nan 0.000 0.225 461 P C 1.203 178.529 177.300 0.044 0.000 1.148 461 P CA 0.779 63.893 63.100 0.024 0.000 0.779 461 P CB 0.127 31.869 31.700 0.070 0.000 0.780 462 S N -0.941 114.786 115.700 0.045 0.000 2.442 462 S HA -0.064 4.406 4.470 0.000 0.000 0.236 462 S C 1.351 175.980 174.600 0.047 0.000 1.007 462 S CA 0.946 59.201 58.200 0.091 0.000 0.965 462 S CB -1.070 62.161 63.200 0.051 0.000 0.773 462 S HN 0.152 nan 8.310 nan 0.000 0.504 463 L N 0.885 122.035 121.223 -0.121 0.000 3.267 463 L HA 0.459 4.799 4.340 0.000 0.000 0.289 463 L C 0.097 176.686 176.870 -0.468 0.000 1.260 463 L CA -0.235 54.463 54.840 -0.237 0.000 1.034 463 L CB 1.025 43.032 42.059 -0.086 0.000 1.413 463 L HN 0.237 nan 8.230 nan 0.000 0.594 464 S N -0.576 114.707 115.700 -0.695 0.000 2.689 464 S HA 0.446 4.916 4.470 0.000 0.000 0.274 464 S C -0.979 173.291 174.600 -0.550 0.000 1.176 464 S CA -0.318 57.543 58.200 -0.564 0.000 1.014 464 S CB 0.666 63.739 63.200 -0.212 0.000 1.071 464 S HN 0.216 nan 8.310 nan 0.000 0.478 465 Y N 4.218 124.565 120.300 0.078 0.000 2.713 465 Y HA 0.346 4.896 4.550 0.000 0.000 0.269 465 Y C 1.553 177.531 175.900 0.130 0.000 1.106 465 Y CA -0.597 57.550 58.100 0.078 0.000 1.174 465 Y CB -1.087 37.400 38.460 0.045 0.000 1.186 465 Y HN 0.933 nan 8.280 nan 0.000 0.555 466 H N -0.040 119.074 119.070 0.074 0.000 2.153 466 H HA -0.357 4.199 4.556 0.000 0.000 0.230 466 H C 0.718 176.121 175.328 0.125 0.000 1.121 466 H CA 2.364 58.467 56.048 0.092 0.000 1.439 466 H CB -0.156 29.660 29.762 0.090 0.000 1.749 466 H HN 0.429 nan 8.280 nan 0.000 0.752 467 C N 1.357 120.666 119.300 0.016 0.000 2.625 467 C HA 0.123 4.583 4.460 0.000 0.000 0.285 467 C C 2.314 177.313 174.990 0.014 0.000 1.279 467 C CA -0.192 58.783 59.018 -0.071 0.000 1.698 467 C CB -0.849 26.791 27.740 -0.167 0.000 1.821 467 C HN 0.540 nan 8.230 nan 0.000 0.600 468 K N 1.659 122.100 120.400 0.069 0.000 2.097 468 K HA -0.098 4.222 4.320 0.000 0.000 0.206 468 K C 2.108 178.722 176.600 0.023 0.000 1.049 468 K CA 1.766 58.083 56.287 0.049 0.000 0.933 468 K CB -0.345 32.200 32.500 0.075 0.000 0.717 468 K HN 0.520 nan 8.250 nan 0.000 0.442 469 G N 1.331 110.151 108.800 0.034 0.000 2.418 469 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 469 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 469 G C 1.480 176.365 174.900 -0.024 0.000 1.158 469 G CA 0.583 45.685 45.100 0.003 0.000 0.771 469 G HN 0.211 nan 8.290 nan 0.000 0.545 470 L N 0.201 121.417 121.223 -0.013 0.000 2.093 470 L HA -0.043 4.297 4.340 0.000 0.000 0.208 470 L C 2.523 179.390 176.870 -0.006 0.000 1.085 470 L CA 1.089 55.922 54.840 -0.013 0.000 0.755 470 L CB -0.333 41.730 42.059 0.007 0.000 0.904 470 L HN 0.148 nan 8.230 nan 0.000 0.435 471 D N 0.704 121.103 120.400 -0.003 0.000 2.104 471 D HA -0.200 4.440 4.640 0.000 0.000 0.194 471 D C 2.138 178.461 176.300 0.038 0.000 0.994 471 D CA 1.467 55.474 54.000 0.011 0.000 0.830 471 D CB 0.021 40.816 40.800 -0.010 0.000 0.959 471 D HN 0.248 nan 8.370 nan 0.000 0.452 472 I N 0.258 120.819 120.570 -0.014 0.000 2.252 472 I HA -0.202 3.968 4.170 0.000 0.000 0.245 472 I C 2.480 178.508 176.117 -0.149 0.000 1.102 472 I CA 0.982 62.252 61.300 -0.050 0.000 1.385 472 I CB -0.247 37.718 38.000 -0.059 0.000 1.064 472 I HN -0.005 nan 8.210 nan 0.000 0.414 473 A N 0.790 123.482 122.820 -0.213 0.000 1.902 473 A HA -0.200 4.120 4.320 0.000 0.000 0.217 473 A C 2.552 179.686 177.584 -0.749 0.000 1.181 473 A CA 1.920 53.647 52.037 -0.517 0.000 0.623 473 A CB -0.938 17.808 19.000 -0.423 0.000 0.818 473 A HN 0.425 nan 8.150 nan 0.000 0.443 474 A N -0.104 122.563 122.820 -0.256 0.000 1.908 474 A HA 0.085 4.405 4.320 0.000 0.000 0.218 474 A C 2.513 180.057 177.584 -0.067 0.000 1.181 474 A CA 2.321 54.375 52.037 0.029 0.000 0.627 474 A CB -1.063 18.109 19.000 0.287 0.000 0.818 474 A HN 1.120 nan 8.150 nan 0.000 0.445 475 A N -0.142 122.614 122.820 -0.107 0.000 1.883 475 A HA 0.114 4.434 4.320 0.000 0.000 0.217 475 A C 2.544 179.909 177.584 -0.365 0.000 1.186 475 A CA 2.323 54.090 52.037 -0.450 0.000 0.624 475 A CB -1.127 17.760 19.000 -0.188 0.000 0.822 475 A HN 1.129 nan 8.150 nan 0.000 0.444 476 A N -1.045 121.589 122.820 -0.311 0.000 1.883 476 A HA -0.099 4.221 4.320 0.000 0.000 0.217 476 A C 2.086 179.588 177.584 -0.137 0.000 1.186 476 A CA 1.752 53.641 52.037 -0.248 0.000 0.624 476 A CB -0.900 17.926 19.000 -0.289 0.000 0.822 476 A HN 0.581 nan 8.150 nan 0.000 0.444 477 Y N 0.829 121.088 120.300 -0.069 0.000 2.181 477 Y HA -0.151 4.399 4.550 -0.000 0.000 0.288 477 Y C 2.938 178.804 175.900 -0.057 0.000 1.146 477 Y CA 1.245 59.322 58.100 -0.040 0.000 1.164 477 Y CB -1.647 36.814 38.460 0.002 0.000 0.982 477 Y HN 0.276 nan 8.280 nan 0.000 0.515 478 T N -0.710 113.844 114.554 -0.000 0.000 2.708 478 T HA -0.181 4.169 4.350 0.000 0.000 0.266 478 T C 2.237 176.889 174.700 -0.080 0.000 1.037 478 T CA 1.713 63.758 62.100 -0.092 0.000 1.146 478 T CB -0.501 68.137 68.868 -0.384 0.000 0.865 478 T HN 0.291 nan 8.240 nan 0.000 0.435 479 S N 0.868 116.492 115.700 -0.126 0.000 2.359 479 S HA -0.161 4.309 4.470 0.000 0.000 0.224 479 S C 2.090 176.693 174.600 0.006 0.000 1.035 479 S CA 1.406 59.564 58.200 -0.071 0.000 1.018 479 S CB -0.327 62.815 63.200 -0.097 0.000 0.876 479 S HN 0.626 nan 8.310 nan 0.000 0.448 480 E N 0.827 121.041 120.200 0.023 0.000 2.077 480 E HA -0.121 4.229 4.350 0.000 0.000 0.193 480 E C 1.963 178.621 176.600 0.097 0.000 0.989 480 E CA 0.837 57.276 56.400 0.064 0.000 0.800 480 E CB -0.171 29.573 29.700 0.073 0.000 0.746 480 E HN 0.422 nan 8.360 nan 0.000 0.452 481 L N 0.005 121.278 121.223 0.082 0.000 2.079 481 L HA -0.126 4.214 4.340 0.000 0.000 0.210 481 L C 2.544 179.458 176.870 0.073 0.000 1.081 481 L CA 1.169 56.056 54.840 0.078 0.000 0.752 481 L CB -0.559 41.548 42.059 0.079 0.000 0.896 481 L HN 0.314 nan 8.230 nan 0.000 0.433 482 G N -1.397 107.446 108.800 0.071 0.000 2.421 482 G HA2 -0.309 3.651 3.960 0.000 0.000 0.216 482 G HA3 -0.309 3.651 3.960 0.000 0.000 0.216 482 G C 1.545 176.491 174.900 0.076 0.000 1.171 482 G CA 0.749 45.889 45.100 0.066 0.000 0.775 482 G HN 0.444 nan 8.290 nan 0.000 0.543 483 H N 0.574 119.649 119.070 0.010 0.000 2.389 483 H HA 0.106 4.662 4.556 0.000 0.000 0.299 483 H C 2.566 177.901 175.328 0.011 0.000 1.081 483 H CA 1.032 57.085 56.048 0.008 0.000 1.345 483 H CB -0.138 29.625 29.762 0.000 0.000 1.393 483 H HN 0.283 nan 8.280 nan 0.000 0.520 484 L N 0.580 121.833 121.223 0.050 0.000 2.131 484 L HA -0.142 4.198 4.340 0.000 0.000 0.210 484 L C 2.921 179.755 176.870 -0.061 0.000 1.092 484 L CA 1.016 55.851 54.840 -0.009 0.000 0.759 484 L CB -0.434 41.659 42.059 0.056 0.000 0.903 484 L HN 0.304 nan 8.230 nan 0.000 0.435 485 A N -0.760 122.040 122.820 -0.033 0.000 2.172 485 A HA -0.066 4.254 4.320 0.000 0.000 0.216 485 A C 0.868 178.427 177.584 -0.041 0.000 1.154 485 A CA 0.317 52.340 52.037 -0.024 0.000 0.701 485 A CB -0.610 18.391 19.000 0.002 0.000 0.789 485 A HN 0.390 nan 8.150 nan 0.000 0.465 486 N N 1.360 120.011 118.700 -0.082 0.000 2.441 486 N HA 0.158 4.898 4.740 0.000 0.000 0.251 486 N C -2.667 172.826 175.510 -0.028 0.000 1.242 486 N CA -0.775 52.240 53.050 -0.060 0.000 0.898 486 N CB 0.072 38.502 38.487 -0.096 0.000 1.100 486 N HN 0.224 nan 8.380 nan 0.000 0.443 487 P HA 0.065 nan 4.420 nan 0.000 0.275 487 P C 0.619 177.974 177.300 0.092 0.000 1.228 487 P CA -0.244 62.871 63.100 0.026 0.000 0.786 487 P CB 0.961 32.666 31.700 0.008 0.000 0.927 488 V N 2.009 121.971 119.914 0.079 0.000 2.725 488 V HA -0.114 4.006 4.120 0.000 0.000 0.247 488 V C 2.426 178.607 176.094 0.144 0.000 1.058 488 V CA 2.347 64.725 62.300 0.131 0.000 1.080 488 V CB -1.454 30.402 31.823 0.055 0.000 0.713 488 V HN 0.679 nan 8.190 nan 0.000 0.465 489 T N -1.604 112.987 114.554 0.061 0.000 3.113 489 T HA -0.133 4.217 4.350 0.000 0.000 0.263 489 T C 1.564 176.249 174.700 -0.025 0.000 1.143 489 T CA 1.364 63.479 62.100 0.024 0.000 1.090 489 T CB -0.626 68.248 68.868 0.011 0.000 0.922 489 T HN 0.596 nan 8.240 nan 0.000 0.521 490 T N -1.240 113.258 114.554 -0.093 0.000 3.148 490 T HA 0.047 4.397 4.350 0.000 0.000 0.253 490 T C 0.930 175.360 174.700 -0.450 0.000 1.134 490 T CA 0.093 62.040 62.100 -0.255 0.000 1.051 490 T CB -0.444 68.233 68.868 -0.320 0.000 0.959 490 T HN 0.516 nan 8.240 nan 0.000 0.525 491 H N 0.693 119.762 119.070 -0.003 0.000 2.488 491 H HA 0.390 4.946 4.556 0.000 0.000 0.294 491 H C 0.011 175.341 175.328 0.005 0.000 1.088 491 H CA -0.476 55.572 56.048 -0.000 0.000 1.086 491 H CB 0.178 29.939 29.762 -0.003 0.000 1.569 491 H HN 0.249 nan 8.280 nan 0.000 0.548 492 V N 3.074 123.010 119.914 0.038 0.000 2.529 492 V HA -0.050 4.070 4.120 0.000 0.000 0.292 492 V C 0.608 176.723 176.094 0.036 0.000 1.028 492 V CA 0.157 62.480 62.300 0.038 0.000 1.074 492 V CB 0.933 32.767 31.823 0.018 0.000 0.958 492 V HN 0.306 nan 8.190 nan 0.000 0.481 493 Q N 6.851 126.676 119.800 0.042 0.000 2.215 493 Q HA 0.370 4.710 4.340 0.000 0.000 0.256 493 Q C -2.220 173.797 176.000 0.029 0.000 0.972 493 Q CA -2.309 53.515 55.803 0.035 0.000 0.889 493 Q CB 1.093 29.854 28.738 0.038 0.000 1.281 493 Q HN 0.461 nan 8.270 nan 0.000 0.456 494 P HA 0.125 nan 4.420 nan 0.000 0.241 494 P C -0.769 176.544 177.300 0.022 0.000 1.760 494 P CA 0.087 63.200 63.100 0.021 0.000 1.081 494 P CB -0.442 31.269 31.700 0.017 0.000 1.975 495 A N 1.790 124.625 122.820 0.025 0.000 2.407 495 A HA 0.266 4.586 4.320 0.000 0.000 0.248 495 A C 0.687 178.283 177.584 0.020 0.000 1.082 495 A CA 0.002 52.053 52.037 0.024 0.000 0.785 495 A CB -0.104 18.913 19.000 0.027 0.000 1.020 495 A HN 0.564 nan 8.150 nan 0.000 0.489 499 N N 0.947 119.658 118.700 0.017 0.000 2.166 499 N HA -0.127 4.613 4.740 0.000 0.000 0.186 499 N C 1.019 176.553 175.510 0.039 0.000 1.019 499 N CA 1.866 54.931 53.050 0.024 0.000 0.856 499 N CB -0.106 38.390 38.487 0.014 0.000 0.993 499 N HN 0.625 nan 8.380 nan 0.000 0.426 500 Q N -0.418 119.402 119.800 0.035 0.000 2.526 500 Q HA 0.347 4.687 4.340 0.000 0.000 0.353 500 Q C 0.600 176.627 176.000 0.046 0.000 0.977 500 Q CA -0.208 55.625 55.803 0.049 0.000 1.027 500 Q CB 0.610 29.370 28.738 0.037 0.000 1.272 500 Q HN 0.381 nan 8.270 nan 0.000 0.420 501 A N 0.630 123.474 122.820 0.041 0.000 2.067 501 A HA -0.020 4.300 4.320 0.000 0.000 0.219 501 A C 1.146 178.749 177.584 0.033 0.000 1.158 501 A CA 0.734 52.790 52.037 0.031 0.000 0.661 501 A CB 0.046 19.061 19.000 0.025 0.000 0.801 501 A HN 0.320 nan 8.150 nan 0.000 0.452 502 V N -0.586 119.354 119.914 0.042 0.000 2.495 502 V HA 0.702 4.822 4.120 0.000 0.000 0.298 502 V C -1.153 174.977 176.094 0.060 0.000 1.031 502 V CA -0.752 61.573 62.300 0.042 0.000 0.871 502 V CB 0.962 32.806 31.823 0.035 0.000 0.988 502 V HN 0.572 nan 8.190 nan 0.000 0.432 503 N N 1.701 120.434 118.700 0.054 0.000 2.308 503 N HA 0.432 5.172 4.740 0.000 0.000 0.283 503 N C 0.430 175.973 175.510 0.055 0.000 1.105 503 N CA -0.184 52.905 53.050 0.066 0.000 0.840 503 N CB 2.030 40.553 38.487 0.060 0.000 1.633 503 N HN 0.610 nan 8.380 nan 0.000 0.476 504 S N 1.923 117.660 115.700 0.061 0.000 2.428 504 S HA -0.031 4.439 4.470 0.000 0.000 0.230 504 S C 0.910 175.535 174.600 0.041 0.000 1.014 504 S CA 0.291 58.519 58.200 0.047 0.000 0.957 504 S CB -0.760 62.469 63.200 0.049 0.000 0.784 504 S HN 0.665 nan 8.310 nan 0.000 0.499 505 L N -0.381 120.868 121.223 0.043 0.000 3.843 505 L HA -0.291 4.049 4.340 0.000 0.000 0.411 505 L C 1.756 178.645 176.870 0.031 0.000 1.205 505 L CA 0.113 54.975 54.840 0.038 0.000 0.945 505 L CB -2.442 39.643 42.059 0.044 0.000 1.929 505 L HN 0.479 nan 8.230 nan 0.000 0.934 506 A N -0.037 122.801 122.820 0.031 0.000 1.902 506 A HA -0.170 4.150 4.320 0.000 0.000 0.217 506 A C 1.924 179.518 177.584 0.017 0.000 1.181 506 A CA 2.009 54.060 52.037 0.024 0.000 0.623 506 A CB -0.161 18.855 19.000 0.026 0.000 0.818 506 A HN 0.433 nan 8.150 nan 0.000 0.443 507 L N -0.081 121.151 121.223 0.016 0.000 2.056 507 L HA -0.065 4.275 4.340 0.000 0.000 0.207 507 L C 2.229 179.102 176.870 0.004 0.000 1.078 507 L CA 1.586 56.430 54.840 0.007 0.000 0.749 507 L CB -0.440 41.622 42.059 0.005 0.000 0.901 507 L HN 0.441 nan 8.230 nan 0.000 0.433 508 I N -1.437 119.137 120.570 0.007 0.000 2.163 508 I HA -0.330 3.840 4.170 0.000 0.000 0.243 508 I C 2.675 178.794 176.117 0.005 0.000 1.085 508 I CA 1.561 62.864 61.300 0.004 0.000 1.347 508 I CB -0.588 37.417 38.000 0.008 0.000 1.044 508 I HN 0.297 nan 8.210 nan 0.000 0.408 509 S N 0.413 116.119 115.700 0.010 0.000 2.359 509 S HA -0.218 4.252 4.470 0.000 0.000 0.224 509 S C 2.240 176.842 174.600 0.004 0.000 1.035 509 S CA 1.547 59.752 58.200 0.009 0.000 1.018 509 S CB -0.302 62.906 63.200 0.013 0.000 0.876 509 S HN 0.486 nan 8.310 nan 0.000 0.448 510 A N 1.429 124.251 122.820 0.003 0.000 1.940 510 A HA -0.117 4.203 4.320 0.000 0.000 0.219 510 A C 2.213 179.795 177.584 -0.002 0.000 1.176 510 A CA 1.557 53.593 52.037 -0.001 0.000 0.631 510 A CB -0.590 18.408 19.000 -0.002 0.000 0.814 510 A HN 0.607 nan 8.150 nan 0.000 0.446 511 R N -1.119 119.379 120.500 -0.003 0.000 2.081 511 R HA -0.065 4.275 4.340 0.000 0.000 0.235 511 R C 2.346 178.647 176.300 0.001 0.000 1.131 511 R CA 1.211 57.308 56.100 -0.004 0.000 0.960 511 R CB -0.213 30.082 30.300 -0.008 0.000 0.856 511 R HN 0.326 nan 8.270 nan 0.000 0.436 512 R N -0.156 120.346 120.500 0.002 0.000 2.092 512 R HA -0.016 4.324 4.340 0.000 0.000 0.231 512 R C 2.131 178.437 176.300 0.009 0.000 1.119 512 R CA 1.408 57.512 56.100 0.006 0.000 0.970 512 R CB -0.917 29.383 30.300 0.000 0.000 0.864 512 R HN 0.229 nan 8.270 nan 0.000 0.440 513 T N 0.783 115.341 114.554 0.005 0.000 2.821 513 T HA -0.086 4.264 4.350 0.000 0.000 0.267 513 T C 1.751 176.456 174.700 0.009 0.000 1.046 513 T CA 1.818 63.921 62.100 0.006 0.000 1.139 513 T CB -0.239 68.629 68.868 -0.000 0.000 0.871 513 T HN 0.291 nan 8.240 nan 0.000 0.454 514 T N 1.645 116.203 114.554 0.007 0.000 2.720 514 T HA -0.137 4.213 4.350 0.000 0.000 0.268 514 T C 1.908 176.618 174.700 0.017 0.000 1.037 514 T CA 1.490 63.595 62.100 0.009 0.000 1.144 514 T CB -0.232 68.638 68.868 0.002 0.000 0.864 514 T HN 0.556 nan 8.240 nan 0.000 0.444 515 E N 0.636 120.847 120.200 0.018 0.000 2.072 515 E HA -0.113 4.237 4.350 0.000 0.000 0.191 515 E C 2.370 178.989 176.600 0.033 0.000 0.985 515 E CA 1.147 57.562 56.400 0.026 0.000 0.801 515 E CB -0.080 29.636 29.700 0.027 0.000 0.750 515 E HN 0.314 nan 8.360 nan 0.000 0.452 516 S N 0.908 116.627 115.700 0.032 0.000 2.370 516 S HA -0.154 4.316 4.470 0.000 0.000 0.226 516 S C 1.663 176.285 174.600 0.037 0.000 1.033 516 S CA 1.121 59.344 58.200 0.037 0.000 1.011 516 S CB -0.380 62.839 63.200 0.033 0.000 0.852 516 S HN 0.336 nan 8.310 nan 0.000 0.457 517 N N 1.353 120.072 118.700 0.032 0.000 2.149 517 N HA -0.124 4.616 4.740 0.000 0.000 0.188 517 N C 1.443 176.979 175.510 0.044 0.000 1.019 517 N CA 1.237 54.307 53.050 0.034 0.000 0.857 517 N CB -0.581 37.922 38.487 0.026 0.000 0.997 517 N HN 0.391 nan 8.380 nan 0.000 0.426 518 D N 0.228 120.658 120.400 0.050 0.000 2.097 518 D HA -0.052 4.588 4.640 0.000 0.000 0.197 518 D C 1.915 178.259 176.300 0.074 0.000 0.984 518 D CA 0.578 54.632 54.000 0.090 0.000 0.826 518 D CB 0.016 40.868 40.800 0.086 0.000 0.973 518 D HN -0.053 nan 8.370 nan 0.000 0.460 519 V N 0.617 120.542 119.914 0.017 0.000 2.358 519 V HA -0.170 3.950 4.120 0.000 0.000 0.246 519 V C 2.498 178.559 176.094 -0.055 0.000 1.047 519 V CA 1.243 63.512 62.300 -0.052 0.000 1.035 519 V CB -0.503 31.326 31.823 0.011 0.000 0.658 519 V HN 0.251 nan 8.190 nan 0.000 0.452 520 L N 0.154 121.392 121.223 0.024 0.000 2.141 520 L HA -0.087 4.253 4.340 0.000 0.000 0.209 520 L C 2.456 179.361 176.870 0.057 0.000 1.094 520 L CA 1.887 56.761 54.840 0.057 0.000 0.763 520 L CB -0.628 41.475 42.059 0.073 0.000 0.908 520 L HN 0.268 nan 8.230 nan 0.000 0.437 521 S N -0.467 115.273 115.700 0.066 0.000 2.382 521 S HA -0.135 4.335 4.470 0.000 0.000 0.228 521 S C 1.916 176.611 174.600 0.158 0.000 1.027 521 S CA 1.523 59.792 58.200 0.115 0.000 0.991 521 S CB -0.414 62.852 63.200 0.109 0.000 0.823 521 S HN 0.455 nan 8.310 nan 0.000 0.469 522 L N 0.613 121.838 121.223 0.003 0.000 2.017 522 L HA -0.117 4.223 4.340 0.000 0.000 0.208 522 L C 2.412 179.145 176.870 -0.228 0.000 1.073 522 L CA 0.874 55.522 54.840 -0.321 0.000 0.745 522 L CB -0.512 40.959 42.059 -0.981 0.000 0.894 522 L HN 0.287 nan 8.230 nan 0.000 0.432 523 L N -0.252 120.894 121.223 -0.128 0.000 2.056 523 L HA -0.167 4.173 4.340 0.000 0.000 0.207 523 L C 2.244 179.256 176.870 0.237 0.000 1.078 523 L CA 1.713 56.682 54.840 0.216 0.000 0.749 523 L CB -0.377 41.837 42.059 0.258 0.000 0.901 523 L HN 0.107 nan 8.230 nan 0.000 0.433 524 L N -0.858 120.474 121.223 0.182 0.000 2.156 524 L HA -0.070 4.270 4.340 0.000 0.000 0.208 524 L C 2.646 179.629 176.870 0.188 0.000 1.095 524 L CA 0.847 55.803 54.840 0.194 0.000 0.770 524 L CB -1.022 41.120 42.059 0.138 0.000 0.914 524 L HN 0.344 nan 8.230 nan 0.000 0.439 525 A N 0.089 123.016 122.820 0.179 0.000 1.908 525 A HA -0.200 4.120 4.320 0.000 0.000 0.218 525 A C 2.389 180.107 177.584 0.224 0.000 1.181 525 A CA 2.404 54.557 52.037 0.194 0.000 0.627 525 A CB -0.850 18.277 19.000 0.211 0.000 0.818 525 A HN 0.353 nan 8.150 nan 0.000 0.445 526 T N -1.646 113.046 114.554 0.231 0.000 2.737 526 T HA -0.145 4.205 4.350 0.000 0.000 0.265 526 T C 1.823 176.708 174.700 0.308 0.000 1.038 526 T CA 1.543 63.795 62.100 0.254 0.000 1.144 526 T CB -0.464 68.578 68.868 0.290 0.000 0.866 526 T HN 0.762 nan 8.240 nan 0.000 0.434 527 H N 0.038 119.210 119.070 0.170 0.000 2.319 527 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 527 H C 2.312 177.709 175.328 0.115 0.000 1.092 527 H CA 1.044 57.167 56.048 0.125 0.000 1.302 527 H CB -0.110 29.717 29.762 0.109 0.000 1.373 527 H HN 0.115 nan 8.280 nan 0.000 0.497 528 L N 0.432 121.777 121.223 0.203 0.000 2.017 528 L HA -0.210 4.130 4.340 0.000 0.000 0.208 528 L C 2.223 179.169 176.870 0.128 0.000 1.073 528 L CA 1.811 56.712 54.840 0.101 0.000 0.745 528 L CB -1.238 40.883 42.059 0.104 0.000 0.894 528 L HN 0.366 nan 8.230 nan 0.000 0.432 529 Y N -0.516 119.835 120.300 0.085 0.000 2.081 529 Y HA -0.352 4.198 4.550 -0.000 0.000 0.280 529 Y C 2.678 178.612 175.900 0.056 0.000 1.163 529 Y CA 2.309 60.451 58.100 0.070 0.000 1.135 529 Y CB -0.776 37.733 38.460 0.081 0.000 0.970 529 Y HN 0.299 nan 8.280 nan 0.000 0.498 530 C N -1.226 118.189 119.300 0.192 0.000 2.429 530 C HA -0.141 4.319 4.460 0.000 0.000 0.277 530 C C 2.894 177.881 174.990 -0.006 0.000 1.262 530 C CA 1.122 60.181 59.018 0.069 0.000 1.733 530 C CB -1.245 26.572 27.740 0.128 0.000 2.010 530 C HN 0.578 nan 8.230 nan 0.000 0.483 531 V N 0.652 120.603 119.914 0.062 0.000 2.626 531 V HA -0.106 4.014 4.120 0.000 0.000 0.252 531 V C 2.090 178.163 176.094 -0.035 0.000 1.067 531 V CA 1.698 64.011 62.300 0.022 0.000 1.081 531 V CB -0.322 31.520 31.823 0.030 0.000 0.686 531 V HN 0.583 nan 8.190 nan 0.000 0.468 532 L N -0.483 120.710 121.223 -0.049 0.000 2.056 532 L HA -0.165 4.175 4.340 0.000 0.000 0.207 532 L C 2.570 179.412 176.870 -0.046 0.000 1.078 532 L CA 1.849 56.671 54.840 -0.029 0.000 0.749 532 L CB -0.639 41.347 42.059 -0.123 0.000 0.901 532 L HN 0.369 nan 8.230 nan 0.000 0.433 533 Q N 0.493 120.211 119.800 -0.137 0.000 2.050 533 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 533 Q C 2.226 178.179 176.000 -0.079 0.000 0.980 533 Q CA 2.136 57.889 55.803 -0.084 0.000 0.840 533 Q CB -0.237 28.448 28.738 -0.088 0.000 0.898 533 Q HN 0.426 nan 8.270 nan 0.000 0.424 534 A N 0.236 122.996 122.820 -0.100 0.000 1.908 534 A HA -0.178 4.142 4.320 0.000 0.000 0.218 534 A C 2.152 179.608 177.584 -0.214 0.000 1.181 534 A CA 1.625 53.580 52.037 -0.137 0.000 0.627 534 A CB -0.831 18.092 19.000 -0.127 0.000 0.818 534 A HN 0.507 nan 8.150 nan 0.000 0.445 535 I N -0.136 120.309 120.570 -0.209 0.000 2.163 535 I HA -0.259 3.911 4.170 0.000 0.000 0.243 535 I C 1.897 177.920 176.117 -0.156 0.000 1.085 535 I CA 1.593 62.708 61.300 -0.308 0.000 1.347 535 I CB -0.412 37.502 38.000 -0.143 0.000 1.044 535 I HN 0.281 nan 8.210 nan 0.000 0.408 536 D N 0.650 121.024 120.400 -0.044 0.000 2.144 536 D HA -0.125 4.515 4.640 0.000 0.000 0.199 536 D C 2.341 178.450 176.300 -0.318 0.000 0.984 536 D CA 1.226 55.161 54.000 -0.108 0.000 0.834 536 D CB -0.175 40.579 40.800 -0.077 0.000 0.955 536 D HN 0.317 nan 8.370 nan 0.000 0.465 537 L N 0.197 121.263 121.223 -0.262 0.000 2.141 537 L HA -0.111 4.229 4.340 0.000 0.000 0.209 537 L C 2.504 179.243 176.870 -0.218 0.000 1.094 537 L CA 0.660 55.353 54.840 -0.246 0.000 0.763 537 L CB -0.164 41.801 42.059 -0.157 0.000 0.908 537 L HN -0.075 nan 8.230 nan 0.000 0.437 538 R N 0.602 120.947 120.500 -0.259 0.000 2.090 538 R HA -0.044 4.296 4.340 0.000 0.000 0.228 538 R C 2.229 178.328 176.300 -0.334 0.000 1.110 538 R CA 1.387 57.284 56.100 -0.337 0.000 0.973 538 R CB -0.451 29.520 30.300 -0.549 0.000 0.869 538 R HN 0.274 nan 8.270 nan 0.000 0.440 539 A N 0.536 123.283 122.820 -0.121 0.000 1.902 539 A HA -0.115 4.205 4.320 0.000 0.000 0.217 539 A C 2.222 179.836 177.584 0.050 0.000 1.181 539 A CA 1.625 53.691 52.037 0.048 0.000 0.623 539 A CB -0.615 18.524 19.000 0.232 0.000 0.818 539 A HN 0.357 nan 8.150 nan 0.000 0.443 540 I N -0.484 120.040 120.570 -0.077 0.000 2.208 540 I HA -0.285 3.885 4.170 0.000 0.000 0.245 540 I C 2.590 178.761 176.117 0.091 0.000 1.097 540 I CA 1.854 63.125 61.300 -0.047 0.000 1.363 540 I CB -0.301 37.561 38.000 -0.230 0.000 1.051 540 I HN 0.578 nan 8.210 nan 0.000 0.413 541 E N 1.000 121.237 120.200 0.062 0.000 2.077 541 E HA -0.242 4.108 4.350 0.000 0.000 0.193 541 E C 2.247 179.083 176.600 0.394 0.000 0.989 541 E CA 1.514 58.029 56.400 0.191 0.000 0.800 541 E CB -0.053 29.727 29.700 0.132 0.000 0.746 541 E HN 0.307 nan 8.360 nan 0.000 0.452 542 F N 1.751 121.720 119.950 0.032 0.000 2.134 542 F HA -0.123 4.404 4.527 -0.000 0.000 0.299 542 F C 2.471 178.318 175.800 0.078 0.000 1.097 542 F CA 1.025 58.996 58.000 -0.049 0.000 1.264 542 F CB -0.703 38.024 39.000 -0.456 0.000 1.001 542 F HN 0.074 nan 8.300 nan 0.000 0.479 543 E N -0.451 119.954 120.200 0.342 0.000 2.077 543 E HA -0.233 4.117 4.350 0.000 0.000 0.193 543 E C 2.243 178.980 176.600 0.229 0.000 0.989 543 E CA 0.982 57.544 56.400 0.271 0.000 0.800 543 E CB -1.005 28.840 29.700 0.242 0.000 0.746 543 E HN 0.408 nan 8.360 nan 0.000 0.452 544 F N 2.294 122.324 119.950 0.133 0.000 2.069 544 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 544 F C 2.142 178.035 175.800 0.156 0.000 1.113 544 F CA 1.685 59.753 58.000 0.114 0.000 1.214 544 F CB 0.007 39.063 39.000 0.093 0.000 0.978 544 F HN -0.129 nan 8.300 nan 0.000 0.474 545 K N 0.245 120.813 120.400 0.279 0.000 2.103 545 K HA -0.208 4.112 4.320 0.000 0.000 0.207 545 K C 2.062 178.673 176.600 0.019 0.000 1.048 545 K CA 1.769 58.152 56.287 0.159 0.000 0.930 545 K CB -0.237 32.374 32.500 0.185 0.000 0.716 545 K HN 0.272 nan 8.250 nan 0.000 0.444 546 K N 0.898 121.316 120.400 0.030 0.000 2.063 546 K HA -0.205 4.115 4.320 0.000 0.000 0.208 546 K C 2.174 178.756 176.600 -0.030 0.000 1.048 546 K CA 1.647 57.938 56.287 0.007 0.000 0.928 546 K CB 0.022 32.553 32.500 0.052 0.000 0.713 546 K HN 0.210 nan 8.250 nan 0.000 0.442 547 Q N -1.235 118.528 119.800 -0.062 0.000 2.302 547 Q HA -0.020 4.320 4.340 0.000 0.000 0.202 547 Q C 1.635 177.565 176.000 -0.115 0.000 0.936 547 Q CA 0.523 56.276 55.803 -0.084 0.000 0.886 547 Q CB 0.127 28.818 28.738 -0.078 0.000 0.986 547 Q HN 0.193 nan 8.270 nan 0.000 0.487 548 F N 0.680 120.362 119.950 -0.446 0.000 2.416 548 F HA 0.126 4.653 4.527 0.000 0.000 0.296 548 F C 1.935 177.622 175.800 -0.188 0.000 1.099 548 F CA 0.988 58.711 58.000 -0.462 0.000 1.427 548 F CB -0.457 38.020 39.000 -0.872 0.000 1.079 548 F HN 0.004 nan 8.300 nan 0.000 0.536 549 G N 1.161 109.873 108.800 -0.146 0.000 2.491 549 G HA2 -0.247 3.713 3.960 0.000 0.000 0.218 549 G HA3 -0.247 3.713 3.960 0.000 0.000 0.218 549 G C -0.567 174.228 174.900 -0.175 0.000 1.180 549 G CA 0.956 45.971 45.100 -0.142 0.000 0.774 549 G HN 0.262 nan 8.290 nan 0.000 0.562 550 P HA -0.010 nan 4.420 nan 0.000 0.218 550 P C 2.063 179.266 177.300 -0.161 0.000 1.148 550 P CA 1.776 64.806 63.100 -0.117 0.000 0.822 550 P CB -0.124 31.528 31.700 -0.080 0.000 0.784 551 A N -0.770 121.896 122.820 -0.256 0.000 1.930 551 A HA -0.145 4.175 4.320 0.000 0.000 0.217 551 A C 2.183 179.553 177.584 -0.356 0.000 1.175 551 A CA 1.191 53.057 52.037 -0.284 0.000 0.627 551 A CB -1.509 17.325 19.000 -0.277 0.000 0.815 551 A HN 0.106 nan 8.150 nan 0.000 0.443 552 I N -0.356 119.901 120.570 -0.522 0.000 2.163 552 I HA -0.235 3.935 4.170 0.000 0.000 0.243 552 I C 2.345 178.436 176.117 -0.043 0.000 1.085 552 I CA 1.300 62.426 61.300 -0.289 0.000 1.347 552 I CB -0.317 37.539 38.000 -0.238 0.000 1.044 552 I HN 0.159 nan 8.210 nan 0.000 0.408 553 V N -0.238 119.639 119.914 -0.061 0.000 2.343 553 V HA -0.300 3.820 4.120 0.000 0.000 0.247 553 V C 2.574 178.672 176.094 0.006 0.000 1.051 553 V CA 2.186 64.484 62.300 -0.004 0.000 1.036 553 V CB -0.649 31.161 31.823 -0.022 0.000 0.654 553 V HN 0.465 nan 8.190 nan 0.000 0.451 554 S N -0.500 115.183 115.700 -0.028 0.000 2.368 554 S HA -0.138 4.332 4.470 0.000 0.000 0.225 554 S C 1.956 176.570 174.600 0.023 0.000 1.030 554 S CA 1.562 59.753 58.200 -0.015 0.000 0.999 554 S CB -0.276 62.900 63.200 -0.040 0.000 0.844 554 S HN 0.495 nan 8.310 nan 0.000 0.459 555 L N 0.680 121.928 121.223 0.043 0.000 2.093 555 L HA -0.042 4.298 4.340 0.000 0.000 0.208 555 L C 2.372 179.390 176.870 0.247 0.000 1.085 555 L CA 1.146 56.078 54.840 0.153 0.000 0.755 555 L CB -0.537 41.541 42.059 0.031 0.000 0.904 555 L HN 0.389 nan 8.230 nan 0.000 0.435 556 I N -0.053 120.643 120.570 0.211 0.000 2.163 556 I HA -0.333 3.837 4.170 0.000 0.000 0.243 556 I C 2.152 178.280 176.117 0.018 0.000 1.085 556 I CA 1.339 62.672 61.300 0.056 0.000 1.347 556 I CB -0.320 37.766 38.000 0.143 0.000 1.044 556 I HN 0.274 nan 8.210 nan 0.000 0.408 557 D N 0.212 120.638 120.400 0.043 0.000 2.097 557 D HA -0.247 4.393 4.640 0.000 0.000 0.195 557 D C 2.034 178.334 176.300 -0.000 0.000 0.989 557 D CA 1.193 55.209 54.000 0.027 0.000 0.827 557 D CB -0.331 40.478 40.800 0.014 0.000 0.966 557 D HN 0.403 nan 8.370 nan 0.000 0.456 558 Q N -0.360 119.432 119.800 -0.013 0.000 2.061 558 Q HA -0.185 4.155 4.340 0.000 0.000 0.204 558 Q C 1.917 177.813 176.000 -0.174 0.000 0.984 558 Q CA 1.375 57.124 55.803 -0.090 0.000 0.846 558 Q CB 0.078 28.754 28.738 -0.104 0.000 0.902 558 Q HN 0.493 nan 8.270 nan 0.000 0.421 559 H N -2.011 116.941 119.070 -0.196 0.000 2.465 559 H HA -0.006 4.550 4.556 -0.000 0.000 0.289 559 H C 0.845 176.056 175.328 -0.194 0.000 1.022 559 H CA 0.858 56.724 56.048 -0.304 0.000 1.340 559 H CB 0.491 29.903 29.762 -0.584 0.000 1.437 559 H HN 0.303 nan 8.280 nan 0.000 0.539 560 F N -0.666 119.319 119.950 0.058 0.000 2.706 560 F HA 0.290 4.817 4.527 0.000 0.000 0.313 560 F C 2.266 178.048 175.800 -0.029 0.000 1.096 560 F CA -0.094 57.887 58.000 -0.032 0.000 1.219 560 F CB -0.403 38.513 39.000 -0.141 0.000 1.051 560 F HN 0.027 nan 8.300 nan 0.000 0.568 561 G N 0.243 109.116 108.800 0.122 0.000 2.459 561 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 561 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 561 G C 1.875 176.807 174.900 0.053 0.000 1.183 561 G CA 1.434 46.574 45.100 0.067 0.000 0.776 561 G HN 0.312 nan 8.290 nan 0.000 0.552 562 S N 0.980 116.709 115.700 0.049 0.000 2.359 562 S HA 0.146 4.616 4.470 0.000 0.000 0.224 562 S C 1.869 176.492 174.600 0.038 0.000 1.035 562 S CA 0.693 58.914 58.200 0.035 0.000 1.018 562 S CB -0.401 62.818 63.200 0.031 0.000 0.876 562 S HN 0.750 nan 8.310 nan 0.000 0.448 566 G N 1.417 110.215 108.800 -0.003 0.000 2.176 566 G HA2 -0.076 3.884 3.960 0.000 0.000 0.253 566 G HA3 -0.076 3.884 3.960 0.000 0.000 0.253 566 G C 0.240 175.135 174.900 -0.008 0.000 0.979 566 G CA 0.642 45.739 45.100 -0.005 0.000 0.641 566 G HN 2.137 nan 8.290 nan 0.000 0.530 567 S N -0.343 115.352 115.700 -0.010 0.000 2.704 567 S HA 0.630 5.100 4.470 0.000 0.000 0.305 567 S C 0.823 175.415 174.600 -0.013 0.000 1.107 567 S CA 0.187 58.379 58.200 -0.014 0.000 0.993 567 S CB 1.665 64.853 63.200 -0.021 0.000 1.110 567 S HN 0.776 nan 8.310 nan 0.000 0.534 568 N N 0.850 119.540 118.700 -0.016 0.000 2.276 568 N HA 0.100 4.840 4.740 0.000 0.000 0.212 568 N C 0.724 176.223 175.510 -0.019 0.000 1.127 568 N CA -0.114 52.927 53.050 -0.015 0.000 0.834 568 N CB -0.504 37.974 38.487 -0.014 0.000 1.014 568 N HN 0.669 nan 8.380 nan 0.000 0.491 569 L N -0.385 120.823 121.223 -0.024 0.000 2.418 569 L HA 0.153 4.493 4.340 0.000 0.000 0.218 569 L C 2.690 179.542 176.870 -0.030 0.000 1.125 569 L CA 0.189 55.008 54.840 -0.035 0.000 0.835 569 L CB -0.191 41.836 42.059 -0.053 0.000 0.953 569 L HN 0.166 nan 8.230 nan 0.000 0.454 570 R N 0.610 121.100 120.500 -0.017 0.000 2.073 570 R HA -0.183 4.157 4.340 0.000 0.000 0.234 570 R C 1.779 178.077 176.300 -0.004 0.000 1.134 570 R CA 1.929 58.026 56.100 -0.005 0.000 0.952 570 R CB -0.052 30.250 30.300 0.005 0.000 0.850 570 R HN 0.250 nan 8.270 nan 0.000 0.433 571 D N 0.190 120.586 120.400 -0.007 0.000 2.117 571 D HA -0.193 4.447 4.640 0.000 0.000 0.197 571 D C 1.689 177.983 176.300 -0.008 0.000 0.987 571 D CA 1.213 55.210 54.000 -0.006 0.000 0.829 571 D CB -0.203 40.592 40.800 -0.008 0.000 0.961 571 D HN 0.423 nan 8.370 nan 0.000 0.460 572 E N -0.004 120.187 120.200 -0.015 0.000 2.077 572 E HA -0.178 4.172 4.350 0.000 0.000 0.193 572 E C 2.153 178.741 176.600 -0.021 0.000 0.989 572 E CA 0.474 56.862 56.400 -0.019 0.000 0.800 572 E CB -0.066 29.618 29.700 -0.026 0.000 0.746 572 E HN 0.072 nan 8.360 nan 0.000 0.452 573 L N 0.505 121.711 121.223 -0.027 0.000 2.017 573 L HA -0.169 4.171 4.340 0.000 0.000 0.208 573 L C 2.325 179.200 176.870 0.008 0.000 1.073 573 L CA 1.392 56.213 54.840 -0.031 0.000 0.745 573 L CB -0.548 41.477 42.059 -0.057 0.000 0.894 573 L HN 0.022 nan 8.230 nan 0.000 0.432 574 V N -0.058 119.868 119.914 0.020 0.000 2.295 574 V HA -0.325 3.795 4.120 0.000 0.000 0.246 574 V C 2.584 178.695 176.094 0.028 0.000 1.049 574 V CA 2.081 64.404 62.300 0.039 0.000 1.024 574 V CB -0.742 31.097 31.823 0.026 0.000 0.648 574 V HN 0.647 nan 8.190 nan 0.000 0.447 575 E N 0.363 120.569 120.200 0.009 0.000 2.038 575 E HA -0.273 4.077 4.350 0.000 0.000 0.195 575 E C 2.257 178.856 176.600 -0.002 0.000 1.000 575 E CA 1.642 58.043 56.400 0.002 0.000 0.803 575 E CB -0.085 29.611 29.700 -0.007 0.000 0.750 575 E HN 0.579 nan 8.360 nan 0.000 0.448 576 K N 0.066 120.463 120.400 -0.006 0.000 2.155 576 K HA -0.051 4.269 4.320 0.000 0.000 0.203 576 K C 2.222 178.815 176.600 -0.011 0.000 1.052 576 K CA 0.952 57.228 56.287 -0.018 0.000 0.948 576 K CB 0.106 32.592 32.500 -0.024 0.000 0.728 576 K HN 0.057 nan 8.250 nan 0.000 0.448 577 V N 2.502 122.435 119.914 0.032 0.000 2.295 577 V HA -0.282 3.838 4.120 0.000 0.000 0.246 577 V C 1.867 177.993 176.094 0.054 0.000 1.049 577 V CA 1.756 64.110 62.300 0.090 0.000 1.024 577 V CB -0.551 31.402 31.823 0.216 0.000 0.648 577 V HN 0.338 nan 8.190 nan 0.000 0.447 578 N N 0.358 119.090 118.700 0.052 0.000 2.061 578 N HA -0.189 4.551 4.740 0.000 0.000 0.193 578 N C 1.827 177.334 175.510 -0.005 0.000 1.030 578 N CA 1.570 54.643 53.050 0.039 0.000 0.856 578 N CB -0.338 38.169 38.487 0.034 0.000 1.023 578 N HN 0.528 nan 8.380 nan 0.000 0.424 579 K N 0.034 120.417 120.400 -0.029 0.000 2.057 579 K HA -0.032 4.288 4.320 0.000 0.000 0.207 579 K C 2.061 178.588 176.600 -0.122 0.000 1.049 579 K CA 1.380 57.631 56.287 -0.060 0.000 0.931 579 K CB -0.266 32.200 32.500 -0.058 0.000 0.714 579 K HN 0.172 nan 8.250 nan 0.000 0.440 580 T N 2.179 116.634 114.554 -0.166 0.000 2.684 580 T HA -0.128 4.222 4.350 0.000 0.000 0.267 580 T C 1.919 176.435 174.700 -0.307 0.000 1.036 580 T CA 1.163 63.065 62.100 -0.329 0.000 1.148 580 T CB -0.261 68.389 68.868 -0.363 0.000 0.863 580 T HN 0.097 nan 8.240 nan 0.000 0.436 581 L N 0.774 121.886 121.223 -0.185 0.000 1.989 581 L HA -0.154 4.186 4.340 0.000 0.000 0.211 581 L C 3.091 179.888 176.870 -0.121 0.000 1.071 581 L CA 1.468 56.210 54.840 -0.162 0.000 0.749 581 L CB -0.779 41.236 42.059 -0.073 0.000 0.890 581 L HN 0.250 nan 8.230 nan 0.000 0.431 582 A N 1.088 123.870 122.820 -0.063 0.000 1.883 582 A HA -0.267 4.053 4.320 0.000 0.000 0.217 582 A C 2.316 179.853 177.584 -0.078 0.000 1.186 582 A CA 2.320 54.333 52.037 -0.040 0.000 0.624 582 A CB -0.551 18.442 19.000 -0.011 0.000 0.822 582 A HN 0.576 nan 8.150 nan 0.000 0.444 583 K N -1.157 119.177 120.400 -0.109 0.000 2.097 583 K HA -0.128 4.192 4.320 0.000 0.000 0.205 583 K C 2.062 178.600 176.600 -0.105 0.000 1.050 583 K CA 1.492 57.718 56.287 -0.101 0.000 0.938 583 K CB -0.191 32.240 32.500 -0.116 0.000 0.718 583 K HN 0.222 nan 8.250 nan 0.000 0.442 584 R N 1.478 121.890 120.500 -0.147 0.000 2.090 584 R HA 0.122 4.462 4.340 0.000 0.000 0.228 584 R C 2.051 178.244 176.300 -0.178 0.000 1.110 584 R CA 1.123 57.162 56.100 -0.101 0.000 0.973 584 R CB -0.631 29.641 30.300 -0.048 0.000 0.869 584 R HN 0.330 nan 8.270 nan 0.000 0.440 585 L N 0.389 121.480 121.223 -0.220 0.000 2.201 585 L HA -0.046 4.294 4.340 0.000 0.000 0.212 585 L C 2.274 179.016 176.870 -0.214 0.000 1.105 585 L CA 1.493 56.156 54.840 -0.295 0.000 0.775 585 L CB -0.383 41.492 42.059 -0.308 0.000 0.913 585 L HN 0.345 nan 8.230 nan 0.000 0.440 586 E N 0.308 120.426 120.200 -0.137 0.000 2.204 586 E HA -0.239 4.111 4.350 0.000 0.000 0.195 586 E C 1.797 178.339 176.600 -0.096 0.000 0.990 586 E CA 1.045 57.389 56.400 -0.095 0.000 0.821 586 E CB 0.181 29.846 29.700 -0.058 0.000 0.750 586 E HN 0.567 nan 8.360 nan 0.000 0.477 587 Q N -0.793 118.937 119.800 -0.115 0.000 2.282 587 Q HA 0.056 4.396 4.340 0.000 0.000 0.206 587 Q C 0.725 176.637 176.000 -0.147 0.000 0.878 587 Q CA 0.937 56.683 55.803 -0.096 0.000 0.944 587 Q CB 1.018 29.715 28.738 -0.068 0.000 1.100 587 Q HN 0.207 nan 8.270 nan 0.000 0.509 588 T N -2.061 112.333 114.554 -0.266 0.000 3.266 588 T HA 0.066 4.416 4.350 0.000 0.000 0.278 588 T C 0.796 175.356 174.700 -0.233 0.000 1.010 588 T CA -0.404 61.414 62.100 -0.470 0.000 0.909 588 T CB -0.140 68.159 68.868 -0.949 0.000 1.122 588 T HN 0.154 nan 8.240 nan 0.000 0.536 589 N N 1.701 120.332 118.700 -0.115 0.000 2.550 589 N HA -0.079 4.661 4.740 0.000 0.000 0.186 589 N C 1.369 176.892 175.510 0.021 0.000 1.110 589 N CA 0.877 53.888 53.050 -0.065 0.000 0.912 589 N CB -0.415 38.032 38.487 -0.066 0.000 0.968 589 N HN 0.605 nan 8.380 nan 0.000 0.448 590 S N -1.871 113.895 115.700 0.109 0.000 2.540 590 S HA 0.157 4.627 4.470 0.000 0.000 0.218 590 S C 0.279 174.994 174.600 0.192 0.000 0.977 590 S CA -0.842 57.439 58.200 0.136 0.000 0.918 590 S CB -0.535 62.735 63.200 0.116 0.000 0.806 590 S HN 0.242 nan 8.310 nan 0.000 0.496 591 Y N 2.312 122.584 120.300 -0.046 0.000 2.301 591 Y HA 0.326 4.876 4.550 -0.000 0.000 0.328 591 Y C 0.568 176.448 175.900 -0.032 0.000 1.242 591 Y CA -1.084 56.993 58.100 -0.039 0.000 1.323 591 Y CB 0.438 38.856 38.460 -0.070 0.000 1.266 591 Y HN 0.131 nan 8.280 nan 0.000 0.527 592 D N 1.403 121.872 120.400 0.116 0.000 2.357 592 D HA -0.032 4.609 4.640 0.000 0.000 0.242 592 D C 0.889 177.261 176.300 0.121 0.000 1.153 592 D CA -0.166 53.889 54.000 0.091 0.000 0.918 592 D CB 0.948 41.787 40.800 0.065 0.000 1.181 592 D HN 0.427 nan 8.370 nan 0.000 0.435 593 L N 2.391 123.685 121.223 0.117 0.000 1.989 593 L HA -0.203 4.137 4.340 0.000 0.000 0.211 593 L C 1.956 178.978 176.870 0.254 0.000 1.071 593 L CA 1.691 56.632 54.840 0.169 0.000 0.749 593 L CB -0.369 41.794 42.059 0.172 0.000 0.890 593 L HN 0.342 nan 8.230 nan 0.000 0.431 594 V N 0.904 120.955 119.914 0.228 0.000 2.237 594 V HA -0.157 3.963 4.120 0.000 0.000 0.245 594 V C -0.245 176.060 176.094 0.351 0.000 1.046 594 V CA 2.264 64.737 62.300 0.288 0.000 1.007 594 V CB -2.049 29.907 31.823 0.222 0.000 0.638 594 V HN 0.416 nan 8.190 nan 0.000 0.445 595 P HA -0.176 nan 4.420 nan 0.000 0.220 595 P C 1.611 179.097 177.300 0.311 0.000 1.148 595 P CA 1.379 64.647 63.100 0.280 0.000 0.803 595 P CB -0.110 31.699 31.700 0.181 0.000 0.782 596 R N -0.577 120.056 120.500 0.221 0.000 2.096 596 R HA -0.162 4.178 4.340 0.000 0.000 0.240 596 R C 2.223 178.386 176.300 -0.229 0.000 1.139 596 R CA 2.023 58.078 56.100 -0.075 0.000 0.952 596 R CB -0.762 29.371 30.300 -0.279 0.000 0.854 596 R HN 0.184 nan 8.270 nan 0.000 0.436 597 W N -0.538 120.796 121.300 0.056 0.000 2.418 597 W HA -0.090 4.570 4.660 0.000 0.000 0.292 597 W C 2.444 179.001 176.519 0.063 0.000 1.213 597 W CA 0.652 58.017 57.345 0.033 0.000 1.283 597 W CB -0.191 29.253 29.460 -0.026 0.000 1.119 597 W HN 0.253 nan 8.180 nan 0.000 0.542 598 H N -0.529 118.737 119.070 0.327 0.000 2.389 598 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 598 H C 1.869 177.323 175.328 0.210 0.000 1.081 598 H CA 1.895 58.095 56.048 0.253 0.000 1.345 598 H CB -0.694 29.175 29.762 0.179 0.000 1.393 598 H HN 0.259 nan 8.280 nan 0.000 0.520 599 D N 0.917 121.464 120.400 0.246 0.000 2.097 599 D HA -0.119 4.521 4.640 0.000 0.000 0.195 599 D C 2.208 178.567 176.300 0.098 0.000 0.989 599 D CA 1.158 55.242 54.000 0.141 0.000 0.827 599 D CB 0.154 40.995 40.800 0.067 0.000 0.966 599 D HN 0.283 nan 8.370 nan 0.000 0.456 600 A N 0.093 122.912 122.820 -0.001 0.000 1.877 600 A HA -0.145 4.175 4.320 0.000 0.000 0.216 600 A C 2.124 179.684 177.584 -0.041 0.000 1.186 600 A CA 1.157 53.135 52.037 -0.098 0.000 0.620 600 A CB -1.164 17.637 19.000 -0.331 0.000 0.822 600 A HN 0.298 nan 8.150 nan 0.000 0.443 601 F N -0.157 119.899 119.950 0.177 0.000 2.407 601 F HA -0.024 4.503 4.527 0.000 0.000 0.299 601 F C 2.805 178.734 175.800 0.215 0.000 1.097 601 F CA 1.051 59.139 58.000 0.147 0.000 1.422 601 F CB -0.261 38.714 39.000 -0.043 0.000 1.067 601 F HN 0.249 nan 8.300 nan 0.000 0.539 602 S N -0.218 115.689 115.700 0.345 0.000 2.368 602 S HA -0.227 4.243 4.470 0.000 0.000 0.225 602 S C 2.176 176.964 174.600 0.312 0.000 1.030 602 S CA 1.184 59.559 58.200 0.291 0.000 0.999 602 S CB -0.592 62.734 63.200 0.210 0.000 0.844 602 S HN 0.450 nan 8.310 nan 0.000 0.459 603 F N 1.509 121.526 119.950 0.112 0.000 2.134 603 F HA -0.059 4.467 4.527 -0.000 0.000 0.299 603 F C 2.450 178.319 175.800 0.115 0.000 1.097 603 F CA 0.767 58.812 58.000 0.074 0.000 1.264 603 F CB -0.297 38.707 39.000 0.007 0.000 1.001 603 F HN 0.352 nan 8.300 nan 0.000 0.479 604 A N 0.070 123.098 122.820 0.348 0.000 2.015 604 A HA -0.096 4.224 4.320 0.000 0.000 0.219 604 A C 2.211 180.064 177.584 0.447 0.000 1.163 604 A CA 1.317 53.547 52.037 0.321 0.000 0.646 604 A CB -1.127 18.077 19.000 0.340 0.000 0.806 604 A HN 0.445 nan 8.150 nan 0.000 0.448 605 A N -0.318 122.816 122.820 0.524 0.000 1.972 605 A HA 0.104 4.424 4.320 0.000 0.000 0.219 605 A C 2.342 180.076 177.584 0.249 0.000 1.169 605 A CA 1.837 54.145 52.037 0.450 0.000 0.635 605 A CB -1.244 18.015 19.000 0.432 0.000 0.810 605 A HN 0.684 nan 8.150 nan 0.000 0.446 606 G N -1.045 107.909 108.800 0.256 0.000 2.418 606 G HA2 -0.156 3.804 3.960 0.000 0.000 0.217 606 G HA3 -0.156 3.804 3.960 0.000 0.000 0.217 606 G C 1.562 176.544 174.900 0.136 0.000 1.158 606 G CA 1.606 46.821 45.100 0.193 0.000 0.771 606 G HN 0.425 nan 8.290 nan 0.000 0.545 607 T N 0.955 115.596 114.554 0.144 0.000 2.720 607 T HA -0.125 4.225 4.350 0.000 0.000 0.268 607 T C 2.556 177.251 174.700 -0.009 0.000 1.037 607 T CA 1.276 63.411 62.100 0.058 0.000 1.144 607 T CB -0.279 68.613 68.868 0.041 0.000 0.864 607 T HN 0.070 nan 8.240 nan 0.000 0.444 608 V N 1.223 121.118 119.914 -0.032 0.000 2.332 608 V HA -0.155 3.965 4.120 0.000 0.000 0.248 608 V C 2.660 178.647 176.094 -0.178 0.000 1.055 608 V CA 1.280 63.457 62.300 -0.204 0.000 1.038 608 V CB -0.769 30.840 31.823 -0.357 0.000 0.651 608 V HN 0.317 nan 8.190 nan 0.000 0.450 609 V N -0.062 119.809 119.914 -0.073 0.000 2.332 609 V HA -0.310 3.810 4.120 0.000 0.000 0.248 609 V C 2.427 178.488 176.094 -0.055 0.000 1.055 609 V CA 2.469 64.737 62.300 -0.054 0.000 1.038 609 V CB -0.488 31.338 31.823 0.005 0.000 0.651 609 V HN 0.697 nan 8.190 nan 0.000 0.450 610 E N -0.047 120.132 120.200 -0.035 0.000 2.016 610 E HA -0.159 4.191 4.350 0.000 0.000 0.190 610 E C 2.211 178.778 176.600 -0.056 0.000 0.985 610 E CA 1.571 57.953 56.400 -0.031 0.000 0.802 610 E CB -0.010 29.685 29.700 -0.008 0.000 0.762 610 E HN 0.371 nan 8.360 nan 0.000 0.448 611 V N 1.458 121.327 119.914 -0.075 0.000 2.407 611 V HA -0.203 3.917 4.120 0.000 0.000 0.248 611 V C 2.054 178.080 176.094 -0.113 0.000 1.055 611 V CA 1.288 63.536 62.300 -0.086 0.000 1.049 611 V CB -0.289 31.477 31.823 -0.094 0.000 0.662 611 V HN 0.355 nan 8.190 nan 0.000 0.455 612 L N 0.846 121.970 121.223 -0.164 0.000 2.791 612 L HA 0.129 4.469 4.340 0.000 0.000 0.239 612 L C 2.217 179.005 176.870 -0.137 0.000 1.203 612 L CA 0.466 55.193 54.840 -0.187 0.000 1.002 612 L CB -0.256 41.604 42.059 -0.331 0.000 1.295 612 L HN 0.451 nan 8.230 nan 0.000 0.504 613 S N -0.661 114.982 115.700 -0.095 0.000 2.419 613 S HA -0.192 4.278 4.470 0.000 0.000 0.235 613 S C 1.962 176.531 174.600 -0.053 0.000 1.019 613 S CA 1.442 59.603 58.200 -0.064 0.000 0.982 613 S CB -0.283 62.891 63.200 -0.044 0.000 0.789 613 S HN 0.576 nan 8.310 nan 0.000 0.490 614 S N 1.010 116.677 115.700 -0.055 0.000 2.575 614 S HA 0.143 4.614 4.470 0.000 0.000 0.215 614 S C 0.887 175.461 174.600 -0.043 0.000 0.966 614 S CA 0.101 58.276 58.200 -0.041 0.000 0.911 614 S CB -0.738 62.441 63.200 -0.036 0.000 0.780 614 S HN 0.778 nan 8.310 nan 0.000 0.514 615 T N -0.082 114.436 114.554 -0.060 0.000 2.862 615 T HA 0.469 4.819 4.350 0.000 0.000 0.276 615 T C 0.973 175.650 174.700 -0.039 0.000 0.974 615 T CA -0.038 62.029 62.100 -0.055 0.000 0.966 615 T CB 1.268 70.085 68.868 -0.084 0.000 1.072 615 T HN 0.259 nan 8.240 nan 0.000 0.538 616 S N -0.326 115.360 115.700 -0.023 0.000 2.605 616 S HA 0.241 4.711 4.470 0.000 0.000 0.217 616 S C 0.606 175.208 174.600 0.003 0.000 0.958 616 S CA -0.665 57.531 58.200 -0.007 0.000 0.919 616 S CB -0.855 62.347 63.200 0.003 0.000 0.780 616 S HN 0.597 nan 8.310 nan 0.000 0.507 617 L N 3.365 124.583 121.223 -0.008 0.000 2.485 617 L HA 0.199 4.539 4.340 0.000 0.000 0.275 617 L C 0.984 177.871 176.870 0.029 0.000 1.207 617 L CA -0.344 54.507 54.840 0.019 0.000 0.855 617 L CB 0.492 42.536 42.059 -0.025 0.000 1.114 617 L HN 0.397 nan 8.230 nan 0.000 0.485 618 S N 2.599 118.336 115.700 0.062 0.000 2.632 618 S HA 0.320 4.790 4.470 0.000 0.000 0.267 618 S C 1.061 175.708 174.600 0.079 0.000 1.276 618 S CA -0.898 57.339 58.200 0.062 0.000 0.998 618 S CB 1.053 64.295 63.200 0.069 0.000 0.953 618 S HN 0.561 nan 8.310 nan 0.000 0.547 619 L N 0.824 122.090 121.223 0.071 0.000 2.141 619 L HA -0.059 4.281 4.340 0.000 0.000 0.209 619 L C 2.980 179.921 176.870 0.119 0.000 1.094 619 L CA 1.344 56.238 54.840 0.089 0.000 0.763 619 L CB -1.108 40.995 42.059 0.072 0.000 0.908 619 L HN 0.944 nan 8.230 nan 0.000 0.437 620 A N 0.359 123.244 122.820 0.108 0.000 1.908 620 A HA -0.192 4.128 4.320 0.000 0.000 0.218 620 A C 2.567 180.248 177.584 0.162 0.000 1.181 620 A CA 1.795 53.904 52.037 0.119 0.000 0.627 620 A CB -0.601 18.456 19.000 0.095 0.000 0.818 620 A HN 0.400 nan 8.150 nan 0.000 0.445 621 A N -0.630 122.299 122.820 0.181 0.000 1.902 621 A HA 0.009 4.329 4.320 0.000 0.000 0.217 621 A C 2.225 180.030 177.584 0.368 0.000 1.181 621 A CA 1.834 54.026 52.037 0.258 0.000 0.623 621 A CB -0.871 18.279 19.000 0.249 0.000 0.818 621 A HN 0.412 nan 8.150 nan 0.000 0.443 622 V N 0.633 120.753 119.914 0.343 0.000 2.379 622 V HA -0.210 3.910 4.120 0.000 0.000 0.245 622 V C 2.392 178.745 176.094 0.432 0.000 1.044 622 V CA 2.158 64.726 62.300 0.447 0.000 1.036 622 V CB -1.098 30.873 31.823 0.246 0.000 0.664 622 V HN 0.697 nan 8.190 nan 0.000 0.453 623 N N 0.746 119.616 118.700 0.283 0.000 2.166 623 N HA -0.140 4.600 4.740 0.000 0.000 0.186 623 N C 1.727 177.348 175.510 0.185 0.000 1.019 623 N CA 1.623 54.810 53.050 0.229 0.000 0.856 623 N CB -0.286 38.301 38.487 0.166 0.000 0.993 623 N HN 0.423 nan 8.380 nan 0.000 0.426 624 A N -0.685 122.246 122.820 0.185 0.000 1.898 624 A HA -0.119 4.201 4.320 0.000 0.000 0.216 624 A C 2.118 179.693 177.584 -0.015 0.000 1.181 624 A CA 1.389 53.507 52.037 0.134 0.000 0.620 624 A CB -1.372 17.751 19.000 0.205 0.000 0.819 624 A HN 0.671 nan 8.150 nan 0.000 0.442 625 W N 1.233 122.338 121.300 -0.325 0.000 2.355 625 W HA -0.195 4.465 4.660 0.000 0.000 0.309 625 W C 2.134 178.405 176.519 -0.413 0.000 1.206 625 W CA 2.228 59.089 57.345 -0.807 0.000 1.284 625 W CB -0.004 29.042 29.460 -0.690 0.000 1.145 625 W HN 0.222 nan 8.180 nan 0.000 0.502 626 K N 0.516 120.839 120.400 -0.128 0.000 2.032 626 K HA -0.188 4.132 4.320 0.000 0.000 0.209 626 K C 1.728 178.116 176.600 -0.353 0.000 1.048 626 K CA 2.196 58.311 56.287 -0.287 0.000 0.927 626 K CB -0.880 31.734 32.500 0.190 0.000 0.712 626 K HN 0.242 nan 8.250 nan 0.000 0.441 627 V N 1.462 121.290 119.914 -0.144 0.000 2.307 627 V HA -0.212 3.908 4.120 0.000 0.000 0.245 627 V C 2.652 178.618 176.094 -0.214 0.000 1.045 627 V CA 1.925 64.196 62.300 -0.048 0.000 1.024 627 V CB -0.819 31.047 31.823 0.071 0.000 0.651 627 V HN 0.475 nan 8.190 nan 0.000 0.449 628 A N -0.116 122.530 122.820 -0.291 0.000 1.902 628 A HA -0.094 4.226 4.320 0.000 0.000 0.217 628 A C 2.395 179.699 177.584 -0.466 0.000 1.181 628 A CA 2.071 53.941 52.037 -0.278 0.000 0.623 628 A CB -0.715 18.183 19.000 -0.171 0.000 0.818 628 A HN 0.560 nan 8.150 nan 0.000 0.443 629 A N -0.148 122.154 122.820 -0.863 0.000 1.873 629 A HA 0.215 4.535 4.320 0.000 0.000 0.215 629 A C 2.520 179.503 177.584 -1.002 0.000 1.186 629 A CA 1.948 53.276 52.037 -1.183 0.000 0.616 629 A CB -1.060 16.593 19.000 -2.246 0.000 0.823 629 A HN 1.033 nan 8.150 nan 0.000 0.442 630 A N -0.025 122.271 122.820 -0.873 0.000 1.883 630 A HA -0.222 4.098 4.320 0.000 0.000 0.217 630 A C 1.912 179.272 177.584 -0.374 0.000 1.186 630 A CA 1.814 53.592 52.037 -0.432 0.000 0.624 630 A CB -0.641 17.961 19.000 -0.662 0.000 0.822 630 A HN 0.638 nan 8.150 nan 0.000 0.444 631 E N -0.591 119.421 120.200 -0.314 0.000 2.085 631 E HA -0.167 4.183 4.350 0.000 0.000 0.194 631 E C 2.313 178.800 176.600 -0.189 0.000 0.994 631 E CA 1.278 57.576 56.400 -0.169 0.000 0.801 631 E CB -0.192 29.455 29.700 -0.088 0.000 0.743 631 E HN 0.632 nan 8.360 nan 0.000 0.453 632 S N 0.393 115.962 115.700 -0.219 0.000 2.356 632 S HA -0.167 4.303 4.470 0.000 0.000 0.223 632 S C 2.115 176.571 174.600 -0.241 0.000 1.032 632 S CA 1.216 59.331 58.200 -0.142 0.000 1.005 632 S CB -0.148 63.014 63.200 -0.063 0.000 0.867 632 S HN 0.322 nan 8.310 nan 0.000 0.449 633 A N 1.248 123.754 122.820 -0.523 0.000 1.902 633 A HA 0.043 4.363 4.320 0.000 0.000 0.217 633 A C 2.145 179.187 177.584 -0.903 0.000 1.181 633 A CA 1.462 52.771 52.037 -1.213 0.000 0.623 633 A CB -0.777 16.869 19.000 -2.256 0.000 0.818 633 A HN 0.627 nan 8.150 nan 0.000 0.443 634 I N 0.684 120.877 120.570 -0.627 0.000 2.142 634 I HA -0.290 3.880 4.170 0.000 0.000 0.240 634 I C 2.977 179.020 176.117 -0.125 0.000 1.078 634 I CA 1.769 62.915 61.300 -0.256 0.000 1.343 634 I CB -0.333 37.626 38.000 -0.068 0.000 1.046 634 I HN 0.506 nan 8.210 nan 0.000 0.405 635 S N 1.114 116.751 115.700 -0.105 0.000 2.368 635 S HA -0.216 4.254 4.470 0.000 0.000 0.225 635 S C 1.988 176.579 174.600 -0.015 0.000 1.030 635 S CA 1.147 59.326 58.200 -0.035 0.000 0.999 635 S CB -0.919 62.264 63.200 -0.029 0.000 0.844 635 S HN 0.361 nan 8.310 nan 0.000 0.459 636 L N 2.315 123.510 121.223 -0.046 0.000 2.046 636 L HA -0.019 4.321 4.340 0.000 0.000 0.208 636 L C 2.427 179.381 176.870 0.139 0.000 1.077 636 L CA 2.181 57.036 54.840 0.025 0.000 0.747 636 L CB -1.535 40.494 42.059 -0.050 0.000 0.896 636 L HN 0.321 nan 8.230 nan 0.000 0.432 637 T N -0.326 114.301 114.554 0.121 0.000 2.720 637 T HA -0.192 4.158 4.350 0.000 0.000 0.268 637 T C 1.986 176.741 174.700 0.091 0.000 1.037 637 T CA 1.739 63.895 62.100 0.092 0.000 1.144 637 T CB -0.208 68.630 68.868 -0.050 0.000 0.864 637 T HN 0.373 nan 8.240 nan 0.000 0.444 638 R N 0.723 121.267 120.500 0.074 0.000 2.081 638 R HA -0.103 4.237 4.340 0.000 0.000 0.235 638 R C 2.696 179.068 176.300 0.120 0.000 1.131 638 R CA 1.446 57.604 56.100 0.097 0.000 0.960 638 R CB -0.280 30.076 30.300 0.093 0.000 0.856 638 R HN 0.490 nan 8.270 nan 0.000 0.436 639 Q N 0.702 120.566 119.800 0.107 0.000 2.050 639 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 639 Q C 2.026 178.107 176.000 0.135 0.000 0.980 639 Q CA 1.547 57.416 55.803 0.110 0.000 0.840 639 Q CB 0.130 28.917 28.738 0.082 0.000 0.898 639 Q HN 0.164 nan 8.270 nan 0.000 0.424 640 V N 1.012 121.016 119.914 0.151 0.000 2.407 640 V HA -0.267 3.853 4.120 0.000 0.000 0.248 640 V C 2.366 178.563 176.094 0.172 0.000 1.055 640 V CA 2.081 64.481 62.300 0.167 0.000 1.049 640 V CB -0.562 31.391 31.823 0.217 0.000 0.662 640 V HN 0.353 nan 8.190 nan 0.000 0.455 641 R N -0.327 120.278 120.500 0.175 0.000 2.070 641 R HA -0.146 4.194 4.340 0.000 0.000 0.233 641 R C 2.407 178.940 176.300 0.387 0.000 1.137 641 R CA 1.473 57.723 56.100 0.250 0.000 0.945 641 R CB -0.361 30.077 30.300 0.229 0.000 0.845 641 R HN 0.445 nan 8.270 nan 0.000 0.430 642 E N 0.130 120.509 120.200 0.299 0.000 2.085 642 E HA -0.148 4.202 4.350 0.000 0.000 0.194 642 E C 2.049 178.792 176.600 0.238 0.000 0.994 642 E CA 1.563 58.137 56.400 0.290 0.000 0.801 642 E CB -0.316 29.505 29.700 0.201 0.000 0.743 642 E HN 0.314 nan 8.360 nan 0.000 0.453 643 T N 1.123 115.788 114.554 0.185 0.000 2.720 643 T HA -0.168 4.182 4.350 0.000 0.000 0.268 643 T C 1.607 176.377 174.700 0.116 0.000 1.037 643 T CA 1.330 63.510 62.100 0.133 0.000 1.144 643 T CB -0.452 68.487 68.868 0.119 0.000 0.864 643 T HN 0.197 nan 8.240 nan 0.000 0.444 644 F N 0.113 120.043 119.950 -0.034 0.000 2.102 644 F HA -0.070 4.457 4.527 0.000 0.000 0.298 644 F C 1.732 177.404 175.800 -0.214 0.000 1.105 644 F CA 1.174 59.055 58.000 -0.199 0.000 1.239 644 F CB -0.407 38.351 39.000 -0.403 0.000 0.991 644 F HN 0.208 nan 8.300 nan 0.000 0.474 645 W N -0.174 121.174 121.300 0.080 0.000 2.678 645 W HA 0.018 4.678 4.660 -0.000 0.000 0.256 645 W C 2.472 178.950 176.519 -0.068 0.000 1.280 645 W CA 0.800 58.129 57.345 -0.028 0.000 1.345 645 W CB -0.357 29.178 29.460 0.126 0.000 1.118 645 W HN -0.129 nan 8.180 nan 0.000 0.629 646 S N -0.388 115.398 115.700 0.143 0.000 2.496 646 S HA 0.241 4.711 4.470 0.000 0.000 0.224 646 S C 0.973 175.580 174.600 0.013 0.000 0.996 646 S CA 0.286 58.539 58.200 0.090 0.000 0.927 646 S CB -0.270 62.984 63.200 0.092 0.000 0.774 646 S HN 0.090 nan 8.310 nan 0.000 0.524 647 A N 1.176 123.959 122.820 -0.062 0.000 2.269 647 A HA 0.830 5.150 4.320 0.000 0.000 0.319 647 A C 0.240 177.747 177.584 -0.128 0.000 1.110 647 A CA -0.521 51.464 52.037 -0.086 0.000 0.847 647 A CB 0.391 19.329 19.000 -0.102 0.000 1.161 647 A HN 0.379 nan 8.150 nan 0.000 0.497 648 A N 0.262 123.031 122.820 -0.086 0.000 2.366 648 A HA 0.456 4.776 4.320 0.000 0.000 0.249 648 A C 1.443 178.958 177.584 -0.115 0.000 1.084 648 A CA 0.315 52.305 52.037 -0.079 0.000 0.794 648 A CB -0.150 18.827 19.000 -0.038 0.000 1.034 648 A HN 1.772 nan 8.150 nan 0.000 0.491 649 S N 0.098 115.740 115.700 -0.097 0.000 2.447 649 S HA -0.154 4.316 4.470 0.000 0.000 0.233 649 S C 1.456 176.071 174.600 0.026 0.000 1.006 649 S CA 1.543 59.705 58.200 -0.063 0.000 0.957 649 S CB -1.041 62.134 63.200 -0.043 0.000 0.773 649 S HN 1.098 nan 8.310 nan 0.000 0.507 650 T N -0.981 113.579 114.554 0.010 0.000 3.051 650 T HA 0.114 4.464 4.350 0.000 0.000 0.269 650 T C 1.298 176.004 174.700 0.010 0.000 1.127 650 T CA 0.951 63.068 62.100 0.029 0.000 1.107 650 T CB -0.379 68.498 68.868 0.015 0.000 0.898 650 T HN 0.343 nan 8.240 nan 0.000 0.517 651 S N 1.181 116.871 115.700 -0.017 0.000 2.601 651 S HA 0.372 4.843 4.470 0.000 0.000 0.244 651 S C 0.553 175.133 174.600 -0.034 0.000 1.001 651 S CA -0.545 57.637 58.200 -0.029 0.000 0.984 651 S CB 0.179 63.357 63.200 -0.038 0.000 0.842 651 S HN 0.583 nan 8.310 nan 0.000 0.474 652 S N 3.513 119.208 115.700 -0.008 0.000 2.552 652 S HA 0.108 4.578 4.470 0.000 0.000 0.289 652 S C -1.149 173.478 174.600 0.045 0.000 1.304 652 S CA -1.038 57.185 58.200 0.037 0.000 1.063 652 S CB 0.719 64.027 63.200 0.180 0.000 0.848 652 S HN 0.181 nan 8.310 nan 0.000 0.499 653 P HA -0.001 nan 4.420 nan 0.000 0.223 653 P C 1.222 178.559 177.300 0.061 0.000 1.151 653 P CA 1.093 64.242 63.100 0.082 0.000 0.787 653 P CB -0.221 31.599 31.700 0.199 0.000 0.788 654 A N 0.783 123.669 122.820 0.110 0.000 1.997 654 A HA -0.179 4.141 4.320 0.000 0.000 0.221 654 A C 2.268 179.766 177.584 -0.145 0.000 1.172 654 A CA 1.487 53.557 52.037 0.056 0.000 0.645 654 A CB -1.676 17.241 19.000 -0.138 0.000 0.813 654 A HN 0.198 nan 8.150 nan 0.000 0.454 655 L N -0.347 120.747 121.223 -0.214 0.000 2.362 655 L HA -0.096 4.244 4.340 0.000 0.000 0.219 655 L C 2.332 179.053 176.870 -0.248 0.000 1.134 655 L CA 0.999 55.711 54.840 -0.214 0.000 0.807 655 L CB -0.289 41.688 42.059 -0.138 0.000 0.927 655 L HN 0.282 nan 8.230 nan 0.000 0.447 656 S N -1.278 114.185 115.700 -0.395 0.000 2.489 656 S HA -0.042 4.428 4.470 0.000 0.000 0.228 656 S C 1.135 175.264 174.600 -0.786 0.000 0.995 656 S CA 0.808 58.621 58.200 -0.644 0.000 0.934 656 S CB -0.021 62.618 63.200 -0.935 0.000 0.771 656 S HN 0.444 nan 8.310 nan 0.000 0.522 657 Y N -0.158 119.958 120.300 -0.306 0.000 2.441 657 Y HA 0.445 4.995 4.550 0.000 0.000 0.266 657 Y C 0.507 176.164 175.900 -0.405 0.000 1.093 657 Y CA -0.899 56.872 58.100 -0.548 0.000 1.246 657 Y CB -0.092 37.584 38.460 -1.307 0.000 1.262 657 Y HN 0.017 nan 8.280 nan 0.000 0.518 658 L N 1.539 122.739 121.223 -0.038 0.000 2.456 658 L HA 0.083 4.423 4.340 0.000 0.000 0.272 658 L C 1.034 177.948 176.870 0.074 0.000 1.189 658 L CA -0.218 54.713 54.840 0.151 0.000 0.846 658 L CB 0.590 42.692 42.059 0.071 0.000 1.111 658 L HN 0.194 nan 8.230 nan 0.000 0.475 659 S N 4.452 120.225 115.700 0.121 0.000 2.559 659 S HA 0.077 4.547 4.470 0.000 0.000 0.282 659 S C -1.427 173.199 174.600 0.044 0.000 1.336 659 S CA -0.887 57.363 58.200 0.083 0.000 1.037 659 S CB 0.739 63.998 63.200 0.098 0.000 0.853 659 S HN 0.503 nan 8.310 nan 0.000 0.523 660 P HA -0.043 nan 4.420 nan 0.000 0.221 660 P C 1.154 178.467 177.300 0.022 0.000 1.150 660 P CA 1.090 64.198 63.100 0.014 0.000 0.800 660 P CB 0.031 31.733 31.700 0.004 0.000 0.787 661 R N -0.157 120.358 120.500 0.024 0.000 2.073 661 R HA -0.030 4.310 4.340 0.000 0.000 0.229 661 R C 2.439 178.759 176.300 0.033 0.000 1.120 661 R CA 2.062 58.173 56.100 0.020 0.000 0.967 661 R CB -1.237 29.067 30.300 0.007 0.000 0.862 661 R HN 0.305 nan 8.270 nan 0.000 0.436 662 T N -1.362 113.220 114.554 0.046 0.000 2.995 662 T HA -0.073 4.277 4.350 0.000 0.000 0.269 662 T C 1.783 176.545 174.700 0.103 0.000 1.091 662 T CA 0.572 62.711 62.100 0.065 0.000 1.128 662 T CB -0.035 68.874 68.868 0.069 0.000 0.891 662 T HN 0.195 nan 8.240 nan 0.000 0.492 663 Q N 0.534 120.383 119.800 0.082 0.000 2.197 663 Q HA -0.034 4.306 4.340 0.000 0.000 0.207 663 Q C 2.204 178.296 176.000 0.155 0.000 0.984 663 Q CA 1.422 57.282 55.803 0.096 0.000 0.869 663 Q CB -0.553 28.206 28.738 0.036 0.000 0.906 663 Q HN 0.624 nan 8.270 nan 0.000 0.426 664 I N 0.001 120.636 120.570 0.108 0.000 2.179 664 I HA -0.282 3.888 4.170 0.000 0.000 0.242 664 I C 2.174 178.381 176.117 0.149 0.000 1.088 664 I CA 0.726 62.088 61.300 0.103 0.000 1.357 664 I CB -0.196 37.831 38.000 0.046 0.000 1.051 664 I HN 0.229 nan 8.210 nan 0.000 0.409 665 L N -0.093 121.215 121.223 0.142 0.000 2.109 665 L HA -0.217 4.123 4.340 0.000 0.000 0.207 665 L C 2.403 179.413 176.870 0.233 0.000 1.086 665 L CA 1.700 56.645 54.840 0.175 0.000 0.760 665 L CB -0.965 41.160 42.059 0.110 0.000 0.910 665 L HN 0.232 nan 8.230 nan 0.000 0.437 666 Y N 0.143 120.500 120.300 0.094 0.000 2.128 666 Y HA -0.285 4.265 4.550 -0.000 0.000 0.284 666 Y C 2.389 178.338 175.900 0.082 0.000 1.154 666 Y CA 2.242 60.388 58.100 0.077 0.000 1.149 666 Y CB -0.360 38.141 38.460 0.067 0.000 0.976 666 Y HN 0.225 nan 8.280 nan 0.000 0.505 667 A N -0.189 122.813 122.820 0.302 0.000 1.930 667 A HA -0.200 4.120 4.320 0.000 0.000 0.217 667 A C 2.130 179.786 177.584 0.120 0.000 1.175 667 A CA 1.446 53.596 52.037 0.188 0.000 0.627 667 A CB -1.497 17.621 19.000 0.196 0.000 0.815 667 A HN 0.670 nan 8.150 nan 0.000 0.443 668 F N 0.873 120.837 119.950 0.023 0.000 2.095 668 F HA -0.176 4.351 4.527 0.000 0.000 0.298 668 F C 2.174 177.964 175.800 -0.018 0.000 1.104 668 F CA 2.135 60.139 58.000 0.006 0.000 1.232 668 F CB -0.391 38.617 39.000 0.013 0.000 0.987 668 F HN 0.035 nan 8.300 nan 0.000 0.475 669 V N 0.957 120.785 119.914 -0.144 0.000 2.323 669 V HA -0.182 3.938 4.120 0.000 0.000 0.244 669 V C 2.618 178.563 176.094 -0.247 0.000 1.041 669 V CA 1.803 63.945 62.300 -0.263 0.000 1.025 669 V CB -0.644 31.111 31.823 -0.113 0.000 0.656 669 V HN 0.220 nan 8.190 nan 0.000 0.451 670 R N -0.008 120.332 120.500 -0.267 0.000 2.092 670 R HA -0.075 4.265 4.340 0.000 0.000 0.231 670 R C 2.160 178.373 176.300 -0.145 0.000 1.119 670 R CA 1.178 57.127 56.100 -0.252 0.000 0.970 670 R CB -0.256 29.794 30.300 -0.416 0.000 0.864 670 R HN 0.546 nan 8.270 nan 0.000 0.440 671 E N 0.326 120.457 120.200 -0.114 0.000 2.083 671 E HA -0.001 4.349 4.350 0.000 0.000 0.193 671 E C 1.964 178.506 176.600 -0.096 0.000 0.950 671 E CA 0.554 56.915 56.400 -0.066 0.000 0.849 671 E CB -0.238 29.458 29.700 -0.008 0.000 0.827 671 E HN 0.319 nan 8.360 nan 0.000 0.465 672 E N 0.918 121.034 120.200 -0.140 0.000 2.072 672 E HA -0.041 4.309 4.350 0.000 0.000 0.191 672 E C 2.150 178.603 176.600 -0.246 0.000 0.985 672 E CA 0.684 56.983 56.400 -0.169 0.000 0.801 672 E CB 0.017 29.628 29.700 -0.147 0.000 0.750 672 E HN 0.118 nan 8.360 nan 0.000 0.452 673 L N -0.613 120.382 121.223 -0.380 0.000 2.418 673 L HA 0.120 4.460 4.340 0.000 0.000 0.218 673 L C 1.466 178.252 176.870 -0.141 0.000 1.125 673 L CA 0.463 55.135 54.840 -0.279 0.000 0.835 673 L CB -0.194 41.658 42.059 -0.344 0.000 0.953 673 L HN 0.300 nan 8.230 nan 0.000 0.454 674 G N 0.792 109.517 108.800 -0.125 0.000 2.160 674 G HA2 -0.252 3.708 3.960 0.000 0.000 0.251 674 G HA3 -0.252 3.708 3.960 0.000 0.000 0.251 674 G C 0.169 175.049 174.900 -0.033 0.000 1.008 674 G CA 0.127 45.188 45.100 -0.064 0.000 0.724 674 G HN 0.147 nan 8.290 nan 0.000 0.514 675 V N 1.873 121.759 119.914 -0.046 0.000 2.368 675 V HA 0.403 4.523 4.120 0.000 0.000 0.266 675 V C 0.445 176.531 176.094 -0.013 0.000 1.045 675 V CA -0.433 61.876 62.300 0.015 0.000 0.899 675 V CB 1.194 33.048 31.823 0.052 0.000 1.006 675 V HN 0.250 nan 8.190 nan 0.000 0.470 676 K N 3.082 123.509 120.400 0.045 0.000 2.139 676 K HA 0.738 5.058 4.320 0.000 0.000 0.243 676 K C 0.302 176.967 176.600 0.109 0.000 0.983 676 K CA -0.551 55.769 56.287 0.055 0.000 0.890 676 K CB 1.686 34.250 32.500 0.106 0.000 1.090 676 K HN 0.633 nan 8.250 nan 0.000 0.445 677 A N 1.324 124.239 122.820 0.158 0.000 2.507 677 A HA 0.054 4.374 4.320 0.000 0.000 0.235 677 A C 0.154 178.019 177.584 0.468 0.000 1.070 677 A CA 0.271 52.478 52.037 0.283 0.000 0.768 677 A CB 0.069 19.261 19.000 0.320 0.000 1.011 677 A HN 0.612 nan 8.150 nan 0.000 0.502 678 R N 0.967 121.689 120.500 0.371 0.000 2.343 678 R HA 0.364 4.704 4.340 0.000 0.000 0.320 678 R C 0.860 177.146 176.300 -0.024 0.000 0.956 678 R CA -0.573 55.583 56.100 0.094 0.000 0.836 678 R CB 0.843 31.031 30.300 -0.188 0.000 1.151 678 R HN 0.919 nan 8.270 nan 0.000 0.450 679 R N 2.272 122.564 120.500 -0.347 0.000 2.100 679 R HA 0.141 4.481 4.340 0.000 0.000 0.220 679 R C -0.212 175.874 176.300 -0.358 0.000 1.091 679 R CA 1.101 56.796 56.100 -0.675 0.000 0.986 679 R CB 0.385 29.876 30.300 -1.348 0.000 0.888 679 R HN 0.843 nan 8.270 nan 0.000 0.444 680 G N 0.436 109.088 108.800 -0.247 0.000 3.088 680 G HA2 -0.093 3.867 3.960 0.000 0.000 0.620 680 G HA3 -0.093 3.867 3.960 0.000 0.000 0.620 680 G C -0.890 173.968 174.900 -0.070 0.000 1.375 680 G CA -0.420 44.591 45.100 -0.147 0.000 1.016 680 G HN 0.102 nan 8.290 nan 0.000 0.590 681 D N 0.712 121.069 120.400 -0.072 0.000 2.123 681 D HA -0.117 4.523 4.640 0.000 0.000 0.196 681 D C 2.694 178.969 176.300 -0.040 0.000 0.992 681 D CA 1.719 55.690 54.000 -0.049 0.000 0.833 681 D CB 0.154 40.929 40.800 -0.041 0.000 0.954 681 D HN 0.354 nan 8.370 nan 0.000 0.455 682 V N 0.487 120.378 119.914 -0.039 0.000 2.323 682 V HA -0.188 3.932 4.120 0.000 0.000 0.244 682 V C 2.106 178.184 176.094 -0.027 0.000 1.041 682 V CA 1.158 63.434 62.300 -0.039 0.000 1.025 682 V CB -0.586 31.208 31.823 -0.048 0.000 0.656 682 V HN 0.099 nan 8.190 nan 0.000 0.451 683 F N 0.626 120.505 119.950 -0.119 0.000 2.091 683 F HA -0.217 4.310 4.527 0.000 0.000 0.299 683 F C 1.990 177.719 175.800 -0.120 0.000 1.103 683 F CA 1.829 59.759 58.000 -0.118 0.000 1.228 683 F CB -0.188 38.723 39.000 -0.149 0.000 0.984 683 F HN 0.032 nan 8.300 nan 0.000 0.477 684 L N -0.070 121.135 121.223 -0.030 0.000 2.376 684 L HA 0.090 4.430 4.340 0.000 0.000 0.219 684 L C 1.774 178.553 176.870 -0.152 0.000 1.133 684 L CA 0.731 55.506 54.840 -0.108 0.000 0.816 684 L CB -1.173 40.867 42.059 -0.033 0.000 0.933 684 L HN 0.462 nan 8.230 nan 0.000 0.449 685 G N 1.553 110.272 108.800 -0.135 0.000 2.198 685 G HA2 -0.306 3.654 3.960 0.000 0.000 0.260 685 G HA3 -0.306 3.654 3.960 0.000 0.000 0.260 685 G C 0.098 174.955 174.900 -0.072 0.000 1.025 685 G CA 0.821 45.857 45.100 -0.107 0.000 0.769 685 G HN 0.563 nan 8.290 nan 0.000 0.507 686 K N -1.527 118.838 120.400 -0.058 0.000 2.568 686 K HA 0.581 4.901 4.320 0.000 0.000 0.273 686 K C -0.649 175.932 176.600 -0.033 0.000 0.951 686 K CA -1.060 55.203 56.287 -0.041 0.000 0.854 686 K CB 1.131 33.608 32.500 -0.038 0.000 1.424 686 K HN 0.041 nan 8.250 nan 0.000 0.427 687 Q N 2.159 121.945 119.800 -0.024 0.000 2.490 687 Q HA 0.127 4.467 4.340 0.000 0.000 0.226 687 Q C -0.786 175.207 176.000 -0.012 0.000 1.132 687 Q CA -0.266 55.527 55.803 -0.016 0.000 0.928 687 Q CB 0.977 29.708 28.738 -0.011 0.000 1.299 687 Q HN 0.429 nan 8.270 nan 0.000 0.528 688 E N 0.874 121.066 120.200 -0.013 0.000 2.392 688 E HA 0.106 4.456 4.350 0.000 0.000 0.256 688 E C -0.081 176.522 176.600 0.006 0.000 1.145 688 E CA -0.471 55.927 56.400 -0.004 0.000 0.929 688 E CB 1.004 30.701 29.700 -0.006 0.000 0.998 688 E HN 0.226 nan 8.360 nan 0.000 0.442 689 V N 2.386 122.308 119.914 0.013 0.000 2.726 689 V HA -0.122 3.998 4.120 0.000 0.000 0.304 689 V C 0.906 177.015 176.094 0.025 0.000 1.115 689 V CA 0.737 63.049 62.300 0.019 0.000 1.264 689 V CB -0.160 31.679 31.823 0.025 0.000 0.867 689 V HN 0.815 nan 8.190 nan 0.000 0.498 690 T N 3.113 117.677 114.554 0.017 0.000 2.856 690 T HA 0.291 4.641 4.350 0.000 0.000 0.306 690 T C 1.263 175.969 174.700 0.011 0.000 1.062 690 T CA -0.360 61.748 62.100 0.014 0.000 1.083 690 T CB 0.538 69.407 68.868 0.002 0.000 0.984 690 T HN 0.367 nan 8.240 nan 0.000 0.542 691 I N 1.680 122.251 120.570 0.003 0.000 2.151 691 I HA -0.121 4.049 4.170 0.000 0.000 0.243 691 I C 2.846 178.857 176.117 -0.177 0.000 1.080 691 I CA 1.891 63.142 61.300 -0.082 0.000 1.339 691 I CB -0.970 36.996 38.000 -0.057 0.000 1.039 691 I HN 0.959 nan 8.210 nan 0.000 0.409 692 G N -0.277 108.463 108.800 -0.100 0.000 2.418 692 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 692 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 692 G C 1.751 176.618 174.900 -0.054 0.000 1.158 692 G CA 0.977 46.026 45.100 -0.084 0.000 0.771 692 G HN 0.370 nan 8.290 nan 0.000 0.545 693 S N 0.972 116.657 115.700 -0.025 0.000 2.383 693 S HA -0.142 4.328 4.470 0.000 0.000 0.229 693 S C 2.319 176.930 174.600 0.018 0.000 1.030 693 S CA 1.227 59.428 58.200 0.002 0.000 1.002 693 S CB -0.242 62.966 63.200 0.013 0.000 0.829 693 S HN 0.417 nan 8.310 nan 0.000 0.467 694 N N 1.066 119.776 118.700 0.017 0.000 2.135 694 N HA -0.000 4.740 4.740 0.000 0.000 0.186 694 N C 1.825 177.376 175.510 0.069 0.000 1.027 694 N CA 0.905 54.000 53.050 0.074 0.000 0.849 694 N CB -0.697 37.898 38.487 0.180 0.000 1.002 694 N HN 0.191 nan 8.380 nan 0.000 0.425 695 V N 1.571 121.452 119.914 -0.055 0.000 2.380 695 V HA -0.211 3.909 4.120 0.000 0.000 0.251 695 V C 2.234 178.370 176.094 0.071 0.000 1.063 695 V CA 1.556 63.849 62.300 -0.011 0.000 1.055 695 V CB -0.693 31.054 31.823 -0.127 0.000 0.657 695 V HN 0.269 nan 8.190 nan 0.000 0.455 696 S N -0.617 115.110 115.700 0.045 0.000 2.383 696 S HA -0.212 4.258 4.470 0.000 0.000 0.229 696 S C 2.203 176.899 174.600 0.159 0.000 1.030 696 S CA 1.593 59.853 58.200 0.101 0.000 1.002 696 S CB -0.266 62.965 63.200 0.052 0.000 0.829 696 S HN 0.612 nan 8.310 nan 0.000 0.467 697 K N 1.172 121.633 120.400 0.102 0.000 2.057 697 K HA 0.093 4.413 4.320 0.000 0.000 0.207 697 K C 1.979 178.630 176.600 0.085 0.000 1.049 697 K CA 1.003 57.336 56.287 0.077 0.000 0.931 697 K CB -0.826 31.697 32.500 0.039 0.000 0.714 697 K HN 0.536 nan 8.250 nan 0.000 0.440 698 I N -0.546 120.093 120.570 0.114 0.000 2.202 698 I HA -0.227 3.943 4.170 0.000 0.000 0.242 698 I C 2.424 178.640 176.117 0.164 0.000 1.091 698 I CA 1.819 63.199 61.300 0.132 0.000 1.368 698 I CB -0.476 37.622 38.000 0.163 0.000 1.058 698 I HN 0.227 nan 8.210 nan 0.000 0.410 699 Y N 2.143 122.472 120.300 0.049 0.000 2.114 699 Y HA -0.312 4.238 4.550 -0.000 0.000 0.282 699 Y C 2.406 178.328 175.900 0.036 0.000 1.165 699 Y CA 1.898 60.016 58.100 0.030 0.000 1.148 699 Y CB -0.365 38.095 38.460 0.001 0.000 0.972 699 Y HN 0.183 nan 8.280 nan 0.000 0.504 700 E N 0.021 120.234 120.200 0.021 0.000 2.118 700 E HA -0.219 4.131 4.350 0.000 0.000 0.195 700 E C 2.358 178.917 176.600 -0.067 0.000 0.992 700 E CA 1.033 57.382 56.400 -0.085 0.000 0.804 700 E CB -0.366 29.360 29.700 0.043 0.000 0.741 700 E HN 0.607 nan 8.360 nan 0.000 0.458 701 A N 0.871 123.704 122.820 0.022 0.000 1.972 701 A HA -0.151 4.169 4.320 0.000 0.000 0.219 701 A C 2.106 179.734 177.584 0.072 0.000 1.169 701 A CA 0.964 53.063 52.037 0.104 0.000 0.635 701 A CB -0.438 18.697 19.000 0.226 0.000 0.810 701 A HN 0.136 nan 8.150 nan 0.000 0.446 702 I N -0.732 119.842 120.570 0.005 0.000 2.193 702 I HA -0.186 3.984 4.170 0.000 0.000 0.240 702 I C 2.289 178.350 176.117 -0.094 0.000 1.084 702 I CA 1.057 62.340 61.300 -0.028 0.000 1.365 702 I CB -0.239 37.744 38.000 -0.028 0.000 1.064 702 I HN 0.127 nan 8.210 nan 0.000 0.410 703 K N 0.911 121.170 120.400 -0.235 0.000 2.097 703 K HA -0.122 4.198 4.320 0.000 0.000 0.206 703 K C 2.212 178.747 176.600 -0.107 0.000 1.049 703 K CA 1.837 57.985 56.287 -0.233 0.000 0.933 703 K CB -0.548 31.695 32.500 -0.429 0.000 0.717 703 K HN 0.427 nan 8.250 nan 0.000 0.442 704 S N -0.693 114.961 115.700 -0.076 0.000 2.522 704 S HA 0.041 4.511 4.470 0.000 0.000 0.227 704 S C 1.517 176.122 174.600 0.009 0.000 0.986 704 S CA 0.930 59.116 58.200 -0.024 0.000 0.929 704 S CB -0.047 63.151 63.200 -0.004 0.000 0.769 704 S HN 0.428 nan 8.310 nan 0.000 0.529 705 G N 1.784 110.595 108.800 0.017 0.000 2.179 705 G HA2 -0.355 3.605 3.960 0.000 0.000 0.260 705 G HA3 -0.355 3.605 3.960 0.000 0.000 0.260 705 G C 0.834 175.748 174.900 0.024 0.000 0.977 705 G CA 0.430 45.554 45.100 0.041 0.000 0.641 705 G HN 0.558 nan 8.290 nan 0.000 0.533 706 R N 0.192 120.719 120.500 0.046 0.000 2.127 706 R HA 0.109 4.449 4.340 0.000 0.000 0.238 706 R C 2.463 178.733 176.300 -0.050 0.000 1.134 706 R CA 1.646 57.787 56.100 0.067 0.000 0.975 706 R CB -0.276 30.134 30.300 0.182 0.000 0.865 706 R HN 0.592 nan 8.270 nan 0.000 0.447 707 I N 1.253 121.786 120.570 -0.062 0.000 2.830 707 I HA -0.220 3.950 4.170 0.000 0.000 0.263 707 I C 0.846 176.812 176.117 -0.251 0.000 1.230 707 I CA 0.778 61.906 61.300 -0.287 0.000 1.480 707 I CB -0.083 37.878 38.000 -0.066 0.000 1.095 707 I HN 0.249 nan 8.210 nan 0.000 0.455 708 N N 1.453 120.072 118.700 -0.135 0.000 2.084 708 N HA -0.186 4.554 4.740 0.000 0.000 0.190 708 N C 1.467 176.901 175.510 -0.126 0.000 1.030 708 N CA 1.326 54.312 53.050 -0.106 0.000 0.849 708 N CB -0.674 37.780 38.487 -0.055 0.000 1.012 708 N HN 0.344 nan 8.380 nan 0.000 0.423 709 N N 0.420 119.042 118.700 -0.129 0.000 2.381 709 N HA -0.049 4.692 4.740 0.000 0.000 0.182 709 N C 1.711 177.128 175.510 -0.155 0.000 1.025 709 N CA 0.298 53.278 53.050 -0.116 0.000 0.888 709 N CB -0.198 38.238 38.487 -0.085 0.000 0.965 709 N HN 0.075 nan 8.380 nan 0.000 0.438 710 V N 1.264 121.024 119.914 -0.258 0.000 2.307 710 V HA -0.153 3.967 4.120 0.000 0.000 0.245 710 V C 2.360 178.348 176.094 -0.176 0.000 1.045 710 V CA 1.134 63.262 62.300 -0.286 0.000 1.024 710 V CB -0.577 30.887 31.823 -0.598 0.000 0.651 710 V HN 0.212 nan 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