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_B DATA FIRST_RESID 26 DATA SEQUENCE ASTNLAVAGX XXXTTQVTQV DIVEKXLAAP TDSTLELDGY SLNLGDVVSA DATA SEQUENCE ARKGRPVRVK DSDEIRSKID KSVEFLRSQL SXSXXXXXXX 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 EEEVKXXXDE 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 A 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 0.000 177.615 177.584 0.051 0.000 1.274 26 A CA 0.000 52.093 52.037 0.094 0.000 0.836 26 A CB 0.000 19.076 19.000 0.127 0.000 0.831 27 S N 0.894 116.621 115.700 0.044 0.000 2.531 27 S HA 0.408 4.878 4.470 0.000 0.000 0.279 27 S C 1.492 176.107 174.600 0.025 0.000 1.305 27 S CA 0.606 58.824 58.200 0.030 0.000 1.058 27 S CB 0.331 63.549 63.200 0.029 0.000 0.899 27 S HN 1.658 nan 8.310 nan 0.000 0.493 28 T N 1.675 116.238 114.554 0.016 0.000 3.107 28 T HA 0.108 4.458 4.350 0.000 0.000 0.249 28 T C 0.624 175.329 174.700 0.007 0.000 1.096 28 T CA -0.286 61.821 62.100 0.011 0.000 1.012 28 T CB -0.382 68.490 68.868 0.006 0.000 0.977 28 T HN 0.519 nan 8.240 nan 0.000 0.527 29 N N 1.770 120.474 118.700 0.007 0.000 2.452 29 N HA 0.121 4.861 4.740 0.000 0.000 0.266 29 N C 0.977 176.487 175.510 -0.000 0.000 1.175 29 N CA -0.372 52.678 53.050 0.000 0.000 0.945 29 N CB 0.363 38.850 38.487 -0.000 0.000 1.063 29 N HN 0.270 nan 8.380 nan 0.000 0.472 30 L N 2.783 124.001 121.223 -0.008 0.000 2.201 30 L HA -0.130 4.210 4.340 0.000 0.000 0.212 30 L C 2.025 178.874 176.870 -0.035 0.000 1.105 30 L CA 1.047 55.879 54.840 -0.013 0.000 0.775 30 L CB -0.447 41.603 42.059 -0.016 0.000 0.913 30 L HN 0.640 nan 8.230 nan 0.000 0.440 31 A N -0.530 122.263 122.820 -0.046 0.000 2.019 31 A HA -0.107 4.214 4.320 0.000 0.000 0.219 31 A C 2.249 179.794 177.584 -0.065 0.000 1.164 31 A CA 1.396 53.385 52.037 -0.081 0.000 0.644 31 A CB -0.370 18.590 19.000 -0.067 0.000 0.805 31 A HN 0.242 nan 8.150 nan 0.000 0.449 32 V N -1.069 118.842 119.914 -0.006 0.000 2.500 32 V HA -0.009 4.111 4.120 0.000 0.000 0.243 32 V C 2.799 178.962 176.094 0.115 0.000 1.039 32 V CA 1.494 63.826 62.300 0.053 0.000 1.053 32 V CB -0.613 31.238 31.823 0.046 0.000 0.695 32 V HN 0.532 nan 8.190 nan 0.000 0.463 33 A N -0.618 122.245 122.820 0.072 0.000 2.169 33 A HA 0.449 4.769 4.320 0.000 0.000 0.212 33 A C 1.483 179.140 177.584 0.122 0.000 1.153 33 A CA 1.047 53.134 52.037 0.084 0.000 0.756 33 A CB -0.735 18.288 19.000 0.039 0.000 0.813 33 A HN 1.049 nan 8.150 nan 0.000 0.471 40 T N 1.211 115.772 114.554 0.011 0.000 3.118 40 T HA 0.047 4.397 4.350 0.000 0.000 0.260 40 T C 1.384 176.083 174.700 -0.001 0.000 1.139 40 T CA 0.797 62.901 62.100 0.007 0.000 1.085 40 T CB 0.001 68.873 68.868 0.007 0.000 0.934 40 T HN 0.417 nan 8.240 nan 0.000 0.518 41 Q N 0.642 120.440 119.800 -0.002 0.000 2.403 41 Q HA 0.405 4.745 4.340 0.000 0.000 0.203 41 Q C -0.220 175.770 176.000 -0.016 0.000 0.932 41 Q CA -0.104 55.694 55.803 -0.008 0.000 0.945 41 Q CB 0.024 28.759 28.738 -0.005 0.000 1.045 41 Q HN 0.484 nan 8.270 nan 0.000 0.511 42 V N -0.382 119.521 119.914 -0.019 0.000 3.048 42 V HA 0.696 4.816 4.120 0.000 0.000 0.303 42 V C -1.108 174.960 176.094 -0.043 0.000 1.214 42 V CA -0.001 62.277 62.300 -0.037 0.000 0.984 42 V CB 2.292 34.090 31.823 -0.042 0.000 1.054 42 V HN 0.335 nan 8.190 nan 0.000 0.430 43 T N 1.370 115.885 114.554 -0.066 0.000 2.907 43 T HA 0.394 4.744 4.350 0.000 0.000 0.290 43 T C 0.557 175.187 174.700 -0.117 0.000 1.066 43 T CA 0.101 62.161 62.100 -0.068 0.000 1.012 43 T CB 1.899 70.733 68.868 -0.057 0.000 1.184 43 T HN 0.736 nan 8.240 nan 0.000 0.522 44 Q N 0.063 119.797 119.800 -0.110 0.000 2.084 44 Q HA -0.078 4.262 4.340 0.000 0.000 0.202 44 Q C 1.963 177.841 176.000 -0.203 0.000 0.978 44 Q CA 1.690 57.387 55.803 -0.177 0.000 0.844 44 Q CB -0.403 28.286 28.738 -0.082 0.000 0.898 44 Q HN 0.644 nan 8.270 nan 0.000 0.426 45 V N 1.716 121.552 119.914 -0.130 0.000 2.332 45 V HA -0.285 3.835 4.120 0.000 0.000 0.248 45 V C 1.768 177.784 176.094 -0.131 0.000 1.055 45 V CA 2.121 64.350 62.300 -0.119 0.000 1.038 45 V CB -0.664 31.110 31.823 -0.081 0.000 0.651 45 V HN 0.439 nan 8.190 nan 0.000 0.450 46 D N 0.066 120.392 120.400 -0.122 0.000 2.116 46 D HA -0.167 4.473 4.640 0.000 0.000 0.193 46 D C 2.062 178.268 176.300 -0.157 0.000 0.998 46 D CA 1.527 55.458 54.000 -0.115 0.000 0.836 46 D CB -0.255 40.486 40.800 -0.098 0.000 0.951 46 D HN 0.414 nan 8.370 nan 0.000 0.449 47 I N 0.397 120.820 120.570 -0.245 0.000 2.179 47 I HA -0.233 3.937 4.170 0.000 0.000 0.242 47 I C 2.461 178.395 176.117 -0.305 0.000 1.088 47 I CA 0.633 61.712 61.300 -0.369 0.000 1.357 47 I CB -0.150 37.456 38.000 -0.658 0.000 1.051 47 I HN -0.105 nan 8.210 nan 0.000 0.409 48 V N 0.696 120.429 119.914 -0.302 0.000 2.343 48 V HA -0.308 3.812 4.120 0.000 0.000 0.247 48 V C 2.487 178.511 176.094 -0.118 0.000 1.051 48 V CA 2.173 64.348 62.300 -0.209 0.000 1.036 48 V CB -0.655 31.049 31.823 -0.199 0.000 0.654 48 V HN 0.502 nan 8.190 nan 0.000 0.451 49 E N 0.106 120.242 120.200 -0.107 0.000 2.085 49 E HA -0.183 4.167 4.350 0.000 0.000 0.194 49 E C 1.107 177.680 176.600 -0.046 0.000 0.994 49 E CA 0.841 57.200 56.400 -0.068 0.000 0.801 49 E CB 0.158 29.819 29.700 -0.065 0.000 0.743 49 E HN 0.393 nan 8.360 nan 0.000 0.453 53 A N 0.975 123.805 122.820 0.017 0.000 2.208 53 A HA 0.530 4.850 4.320 0.000 0.000 0.209 53 A C 1.249 178.844 177.584 0.018 0.000 1.161 53 A CA 0.698 52.741 52.037 0.011 0.000 0.782 53 A CB -0.274 18.728 19.000 0.003 0.000 0.816 53 A HN 0.284 nan 8.150 nan 0.000 0.477 54 A N 1.540 124.377 122.820 0.028 0.000 2.548 54 A HA 0.439 4.759 4.320 0.000 0.000 0.247 54 A C -2.084 175.511 177.584 0.018 0.000 1.067 54 A CA -0.778 51.275 52.037 0.026 0.000 0.757 54 A CB -0.547 18.473 19.000 0.034 0.000 0.996 54 A HN 0.288 nan 8.150 nan 0.000 0.504 55 P HA 0.072 nan 4.420 nan 0.000 0.266 55 P C 0.963 178.267 177.300 0.007 0.000 1.193 55 P CA 0.618 63.723 63.100 0.009 0.000 0.770 55 P CB 0.542 32.246 31.700 0.007 0.000 0.836 56 T N -3.310 111.247 114.554 0.006 0.000 2.985 56 T HA 0.031 4.381 4.350 0.000 0.000 0.254 56 T C 0.819 175.520 174.700 0.001 0.000 1.021 56 T CA 0.150 62.252 62.100 0.003 0.000 0.957 56 T CB -0.164 68.707 68.868 0.004 0.000 1.047 56 T HN 0.359 nan 8.240 nan 0.000 0.511 57 D N 2.310 122.712 120.400 0.003 0.000 2.431 57 D HA 0.069 4.709 4.640 0.000 0.000 0.235 57 D C 1.196 177.496 176.300 0.001 0.000 0.980 57 D CA 0.357 54.358 54.000 0.003 0.000 0.912 57 D CB -0.635 40.168 40.800 0.005 0.000 1.056 57 D HN 0.511 nan 8.370 nan 0.000 0.494 58 S N 0.098 115.799 115.700 0.002 0.000 2.617 58 S HA 0.375 4.845 4.470 0.000 0.000 0.269 58 S C 0.275 174.875 174.600 -0.000 0.000 1.292 58 S CA -0.636 57.565 58.200 0.002 0.000 1.010 58 S CB 0.949 64.151 63.200 0.003 0.000 0.944 58 S HN 0.079 nan 8.310 nan 0.000 0.536 59 T N 2.687 117.241 114.554 -0.001 0.000 2.901 59 T HA 0.231 4.581 4.350 0.000 0.000 0.301 59 T C -0.080 174.620 174.700 -0.001 0.000 1.012 59 T CA -0.344 61.754 62.100 -0.004 0.000 1.135 59 T CB 0.192 69.058 68.868 -0.004 0.000 0.936 59 T HN 0.564 nan 8.240 nan 0.000 0.539 60 L N 4.323 125.544 121.223 -0.003 0.000 2.325 60 L HA 0.268 4.608 4.340 0.000 0.000 0.284 60 L C 0.200 177.070 176.870 0.001 0.000 1.089 60 L CA 0.184 55.024 54.840 0.000 0.000 0.836 60 L CB -0.118 41.940 42.059 -0.002 0.000 1.184 60 L HN 0.564 nan 8.230 nan 0.000 0.444 61 E N 6.062 126.265 120.200 0.005 0.000 2.130 61 E HA 0.271 4.621 4.350 0.000 0.000 0.284 61 E C -0.971 175.636 176.600 0.011 0.000 1.018 61 E CA -0.387 56.017 56.400 0.007 0.000 0.817 61 E CB 0.996 30.701 29.700 0.009 0.000 1.078 61 E HN 0.594 nan 8.360 nan 0.000 0.396 62 L N 3.817 125.045 121.223 0.008 0.000 2.265 62 L HA 0.180 4.520 4.340 0.000 0.000 0.288 62 L C 0.508 177.390 176.870 0.019 0.000 1.058 62 L CA -0.181 54.664 54.840 0.009 0.000 0.809 62 L CB 0.559 42.616 42.059 -0.003 0.000 1.179 62 L HN 0.593 nan 8.230 nan 0.000 0.429 63 D N 0.240 120.664 120.400 0.040 0.000 2.503 63 D HA 0.181 4.821 4.640 0.000 0.000 0.218 63 D C 1.115 177.495 176.300 0.134 0.000 1.183 63 D CA 0.348 54.394 54.000 0.076 0.000 0.827 63 D CB 0.980 41.831 40.800 0.086 0.000 1.034 63 D HN 0.645 nan 8.370 nan 0.000 0.510 64 G N -0.316 108.503 108.800 0.033 0.000 2.217 64 G HA2 -0.374 3.586 3.960 0.000 0.000 0.246 64 G HA3 -0.374 3.586 3.960 0.000 0.000 0.246 64 G C 0.516 175.188 174.900 -0.380 0.000 0.990 64 G CA 0.582 45.600 45.100 -0.137 0.000 0.627 64 G HN 0.412 nan 8.290 nan 0.000 0.522 65 Y N -0.658 119.633 120.300 -0.014 0.000 2.524 65 Y HA 0.310 4.860 4.550 0.000 0.000 0.276 65 Y C 2.485 178.383 175.900 -0.004 0.000 1.155 65 Y CA 0.807 58.903 58.100 -0.007 0.000 1.165 65 Y CB 0.256 38.712 38.460 -0.006 0.000 1.306 65 Y HN 0.214 nan 8.280 nan 0.000 0.522 66 S N 0.523 116.306 115.700 0.138 0.000 2.501 66 S HA 0.050 4.520 4.470 0.000 0.000 0.220 66 S C 0.451 175.078 174.600 0.046 0.000 0.997 66 S CA -0.094 58.155 58.200 0.082 0.000 0.919 66 S CB -0.136 63.103 63.200 0.065 0.000 0.778 66 S HN 0.149 nan 8.310 nan 0.000 0.523 67 L N 4.202 125.441 121.223 0.027 0.000 2.499 67 L HA 0.200 4.540 4.340 0.000 0.000 0.273 67 L C -0.076 176.800 176.870 0.009 0.000 1.195 67 L CA 0.033 54.879 54.840 0.009 0.000 0.882 67 L CB -0.039 42.014 42.059 -0.010 0.000 1.133 67 L HN 0.265 nan 8.230 nan 0.000 0.483 68 N N 3.447 122.156 118.700 0.015 0.000 2.653 68 N HA 0.385 5.125 4.740 0.000 0.000 0.294 68 N C 0.394 175.913 175.510 0.014 0.000 1.305 68 N CA -0.835 52.228 53.050 0.022 0.000 0.827 68 N CB 0.451 38.969 38.487 0.052 0.000 1.415 68 N HN 0.485 nan 8.380 nan 0.000 0.546 69 L N -0.894 120.338 121.223 0.014 0.000 2.156 69 L HA 0.110 4.450 4.340 0.000 0.000 0.208 69 L C 2.271 179.174 176.870 0.055 0.000 1.095 69 L CA 1.412 56.249 54.840 -0.005 0.000 0.770 69 L CB -0.884 41.109 42.059 -0.110 0.000 0.914 69 L HN 0.866 nan 8.230 nan 0.000 0.439 70 G N -0.012 108.850 108.800 0.103 0.000 2.442 70 G HA2 -0.258 3.702 3.960 0.000 0.000 0.219 70 G HA3 -0.258 3.702 3.960 0.000 0.000 0.219 70 G C 1.154 176.081 174.900 0.044 0.000 1.141 70 G CA 0.811 45.971 45.100 0.101 0.000 0.763 70 G HN 0.286 nan 8.290 nan 0.000 0.554 71 D N 0.245 120.663 120.400 0.030 0.000 2.117 71 D HA -0.095 4.545 4.640 0.000 0.000 0.197 71 D C 2.795 179.092 176.300 -0.005 0.000 0.987 71 D CA 0.821 54.828 54.000 0.011 0.000 0.829 71 D CB -0.448 40.358 40.800 0.010 0.000 0.961 71 D HN 0.196 nan 8.370 nan 0.000 0.460 72 V N 0.883 120.791 119.914 -0.011 0.000 2.287 72 V HA -0.221 3.899 4.120 0.000 0.000 0.248 72 V C 2.707 178.774 176.094 -0.046 0.000 1.053 72 V CA 1.130 63.414 62.300 -0.027 0.000 1.027 72 V CB -0.494 31.310 31.823 -0.031 0.000 0.646 72 V HN 0.053 nan 8.190 nan 0.000 0.447 73 V N 1.017 120.894 119.914 -0.061 0.000 2.343 73 V HA -0.242 3.878 4.120 0.000 0.000 0.247 73 V C 2.723 178.761 176.094 -0.094 0.000 1.051 73 V CA 2.246 64.468 62.300 -0.129 0.000 1.036 73 V CB -0.897 30.775 31.823 -0.250 0.000 0.654 73 V HN 0.785 nan 8.190 nan 0.000 0.451 74 S N 1.237 116.907 115.700 -0.049 0.000 2.370 74 S HA -0.189 4.281 4.470 0.000 0.000 0.226 74 S C 2.076 176.658 174.600 -0.030 0.000 1.033 74 S CA 1.485 59.666 58.200 -0.031 0.000 1.011 74 S CB -0.576 62.619 63.200 -0.009 0.000 0.852 74 S HN 0.585 nan 8.310 nan 0.000 0.457 75 A N 1.948 124.751 122.820 -0.028 0.000 1.897 75 A HA 0.464 4.784 4.320 0.000 0.000 0.215 75 A C 2.525 180.091 177.584 -0.029 0.000 1.181 75 A CA 1.468 53.491 52.037 -0.024 0.000 0.620 75 A CB -1.380 17.609 19.000 -0.019 0.000 0.821 75 A HN 0.824 nan 8.150 nan 0.000 0.443 76 A N -0.417 122.378 122.820 -0.041 0.000 1.873 76 A HA -0.083 4.237 4.320 0.000 0.000 0.215 76 A C 2.286 179.840 177.584 -0.050 0.000 1.186 76 A CA 1.494 53.504 52.037 -0.046 0.000 0.616 76 A CB -0.306 18.659 19.000 -0.059 0.000 0.823 76 A HN 0.484 nan 8.150 nan 0.000 0.442 77 R N -1.442 119.020 120.500 -0.062 0.000 2.225 77 R HA 0.121 4.461 4.340 0.000 0.000 0.194 77 R C 0.598 176.875 176.300 -0.038 0.000 0.957 77 R CA 0.450 56.515 56.100 -0.059 0.000 1.042 77 R CB 0.214 30.461 30.300 -0.088 0.000 1.004 77 R HN 0.203 nan 8.270 nan 0.000 0.509 78 K N -0.180 120.200 120.400 -0.033 0.000 2.414 78 K HA 0.205 4.525 4.320 0.000 0.000 0.204 78 K C 0.613 177.207 176.600 -0.011 0.000 1.026 78 K CA 0.413 56.689 56.287 -0.018 0.000 1.108 78 K CB 1.361 33.852 32.500 -0.014 0.000 0.855 78 K HN 0.297 nan 8.250 nan 0.000 0.517 79 G N 2.673 111.465 108.800 -0.013 0.000 2.203 79 G HA2 -0.356 3.604 3.960 0.000 0.000 0.263 79 G HA3 -0.356 3.604 3.960 0.000 0.000 0.263 79 G C 0.136 175.028 174.900 -0.013 0.000 1.012 79 G CA 0.522 45.616 45.100 -0.011 0.000 0.749 79 G HN 0.403 nan 8.290 nan 0.000 0.512 80 R N 0.659 121.151 120.500 -0.014 0.000 2.522 80 R HA 0.344 4.684 4.340 0.000 0.000 0.284 80 R C -1.938 174.351 176.300 -0.018 0.000 1.032 80 R CA -1.077 55.015 56.100 -0.013 0.000 1.049 80 R CB 0.389 30.683 30.300 -0.011 0.000 0.956 80 R HN 0.108 nan 8.270 nan 0.000 0.422 81 P HA 0.023 nan 4.420 nan 0.000 0.269 81 P C -1.212 176.075 177.300 -0.021 0.000 1.209 81 P CA -0.177 62.905 63.100 -0.029 0.000 0.776 81 P CB 0.868 32.551 31.700 -0.029 0.000 0.876 82 V N 4.081 123.981 119.914 -0.023 0.000 2.709 82 V HA 0.558 4.678 4.120 0.000 0.000 0.308 82 V C 0.045 176.131 176.094 -0.012 0.000 1.062 82 V CA -0.536 61.756 62.300 -0.014 0.000 0.901 82 V CB 2.039 33.855 31.823 -0.011 0.000 1.003 82 V HN 0.510 nan 8.190 nan 0.000 0.425 83 R N 1.954 122.450 120.500 -0.007 0.000 2.707 83 R HA 0.647 4.987 4.340 0.000 0.000 0.272 83 R C -1.402 174.898 176.300 -0.000 0.000 1.011 83 R CA -0.898 55.200 56.100 -0.003 0.000 0.893 83 R CB 2.491 32.790 30.300 -0.001 0.000 1.233 83 R HN 0.480 nan 8.270 nan 0.000 0.464 84 V N 2.607 122.521 119.914 0.001 0.000 2.599 84 V HA -0.027 4.093 4.120 0.000 0.000 0.300 84 V C 0.671 176.769 176.094 0.006 0.000 1.034 84 V CA 0.100 62.401 62.300 0.002 0.000 1.115 84 V CB 0.489 32.312 31.823 0.001 0.000 0.934 84 V HN 0.616 nan 8.190 nan 0.000 0.485 85 K N 3.434 123.840 120.400 0.009 0.000 2.530 85 K HA -0.088 4.232 4.320 0.000 0.000 0.280 85 K C 0.236 176.842 176.600 0.009 0.000 1.004 85 K CA -0.043 56.250 56.287 0.010 0.000 1.071 85 K CB 0.188 32.697 32.500 0.015 0.000 0.876 85 K HN 0.747 nan 8.250 nan 0.000 0.487 86 D N 3.025 123.430 120.400 0.008 0.000 2.498 86 D HA 0.041 4.681 4.640 0.000 0.000 0.229 86 D C -1.287 175.017 176.300 0.007 0.000 1.188 86 D CA 0.251 54.256 54.000 0.008 0.000 1.028 86 D CB -0.078 40.727 40.800 0.008 0.000 1.087 86 D HN 0.434 nan 8.370 nan 0.000 0.510 87 S N 2.530 118.234 115.700 0.006 0.000 2.572 87 S HA 0.245 4.715 4.470 0.000 0.000 0.274 87 S C 0.459 175.062 174.600 0.004 0.000 1.150 87 S CA -0.779 57.424 58.200 0.004 0.000 0.944 87 S CB 1.515 64.717 63.200 0.004 0.000 1.071 87 S HN 0.039 nan 8.310 nan 0.000 0.479 88 D N 2.816 123.218 120.400 0.003 0.000 2.144 88 D HA -0.049 4.591 4.640 0.000 0.000 0.199 88 D C 1.632 177.933 176.300 0.002 0.000 0.984 88 D CA 1.319 55.321 54.000 0.003 0.000 0.834 88 D CB 0.116 40.918 40.800 0.003 0.000 0.955 88 D HN 0.785 nan 8.370 nan 0.000 0.465 89 E N 0.146 120.346 120.200 -0.001 0.000 2.051 89 E HA -0.142 4.208 4.350 0.000 0.000 0.192 89 E C 2.185 178.784 176.600 -0.002 0.000 0.991 89 E CA 0.553 56.950 56.400 -0.004 0.000 0.799 89 E CB 0.057 29.750 29.700 -0.012 0.000 0.748 89 E HN 0.249 nan 8.360 nan 0.000 0.449 90 I N 0.945 121.516 120.570 0.002 0.000 2.142 90 I HA -0.250 3.920 4.170 0.000 0.000 0.240 90 I C 2.454 178.573 176.117 0.003 0.000 1.078 90 I CA 1.350 62.654 61.300 0.006 0.000 1.343 90 I CB -1.016 36.991 38.000 0.012 0.000 1.046 90 I HN 0.102 nan 8.210 nan 0.000 0.405 91 R N 0.410 120.913 120.500 0.005 0.000 2.096 91 R HA -0.197 4.143 4.340 0.000 0.000 0.240 91 R C 2.568 178.872 176.300 0.007 0.000 1.139 91 R CA 1.975 58.078 56.100 0.006 0.000 0.952 91 R CB -0.468 29.836 30.300 0.007 0.000 0.854 91 R HN 0.306 nan 8.270 nan 0.000 0.436 92 S N 0.543 116.247 115.700 0.007 0.000 2.382 92 S HA -0.165 4.305 4.470 0.000 0.000 0.228 92 S C 1.909 176.514 174.600 0.009 0.000 1.027 92 S CA 1.307 59.513 58.200 0.009 0.000 0.991 92 S CB -0.029 63.176 63.200 0.008 0.000 0.823 92 S HN 0.241 nan 8.310 nan 0.000 0.469 93 K N 0.335 120.737 120.400 0.002 0.000 2.026 93 K HA -0.063 4.258 4.320 0.000 0.000 0.208 93 K C 2.054 178.651 176.600 -0.004 0.000 1.048 93 K CA 1.697 57.981 56.287 -0.004 0.000 0.929 93 K CB -0.335 32.157 32.500 -0.013 0.000 0.713 93 K HN 0.459 nan 8.250 nan 0.000 0.439 94 I N 1.537 122.104 120.570 -0.005 0.000 2.142 94 I HA -0.311 3.859 4.170 0.000 0.000 0.240 94 I C 1.804 177.931 176.117 0.016 0.000 1.078 94 I CA 1.495 62.795 61.300 -0.001 0.000 1.343 94 I CB -0.333 37.665 38.000 -0.003 0.000 1.046 94 I HN 0.184 nan 8.210 nan 0.000 0.405 95 D N 0.943 121.354 120.400 0.018 0.000 2.144 95 D HA -0.170 4.470 4.640 0.000 0.000 0.199 95 D C 2.136 178.462 176.300 0.042 0.000 0.984 95 D CA 1.227 55.243 54.000 0.027 0.000 0.834 95 D CB -0.262 40.551 40.800 0.022 0.000 0.955 95 D HN 0.294 nan 8.370 nan 0.000 0.465 96 K N 0.468 120.894 120.400 0.043 0.000 2.211 96 K HA -0.062 4.258 4.320 0.000 0.000 0.203 96 K C 2.217 178.879 176.600 0.102 0.000 1.050 96 K CA 1.121 57.447 56.287 0.065 0.000 0.945 96 K CB 0.043 32.571 32.500 0.046 0.000 0.732 96 K HN 0.148 nan 8.250 nan 0.000 0.451 97 S N 0.245 115.995 115.700 0.083 0.000 2.387 97 S HA -0.077 4.393 4.470 0.000 0.000 0.226 97 S C 2.110 176.805 174.600 0.158 0.000 1.026 97 S CA 0.806 59.078 58.200 0.121 0.000 0.972 97 S CB -0.473 62.773 63.200 0.076 0.000 0.814 97 S HN -0.011 nan 8.310 nan 0.000 0.477 98 V N 2.434 122.407 119.914 0.098 0.000 2.295 98 V HA -0.138 3.982 4.120 0.000 0.000 0.246 98 V C 2.933 179.074 176.094 0.078 0.000 1.049 98 V CA 2.266 64.612 62.300 0.077 0.000 1.024 98 V CB -0.970 30.881 31.823 0.046 0.000 0.648 98 V HN 0.544 nan 8.190 nan 0.000 0.447 99 E N 0.337 120.588 120.200 0.086 0.000 2.110 99 E HA -0.242 4.108 4.350 0.000 0.000 0.193 99 E C 1.900 178.550 176.600 0.083 0.000 0.988 99 E CA 1.525 57.967 56.400 0.069 0.000 0.804 99 E CB -0.519 29.223 29.700 0.070 0.000 0.745 99 E HN 0.515 nan 8.360 nan 0.000 0.458 100 F N 0.359 120.318 119.950 0.014 0.000 2.069 100 F HA -0.176 4.351 4.527 0.000 0.000 0.298 100 F C 1.955 177.763 175.800 0.013 0.000 1.113 100 F CA 1.570 59.579 58.000 0.015 0.000 1.214 100 F CB -0.704 38.309 39.000 0.021 0.000 0.978 100 F HN 0.212 nan 8.300 nan 0.000 0.474 101 L N 1.039 122.241 121.223 -0.035 0.000 2.017 101 L HA -0.173 4.167 4.340 0.000 0.000 0.208 101 L C 2.710 179.479 176.870 -0.168 0.000 1.073 101 L CA 2.025 56.782 54.840 -0.139 0.000 0.745 101 L CB -1.046 41.038 42.059 0.041 0.000 0.894 101 L HN 0.237 nan 8.230 nan 0.000 0.432 102 R N -0.810 119.638 120.500 -0.086 0.000 2.080 102 R HA -0.195 4.145 4.340 0.000 0.000 0.236 102 R C 2.480 178.716 176.300 -0.106 0.000 1.137 102 R CA 2.046 58.104 56.100 -0.070 0.000 0.943 102 R CB -0.439 29.843 30.300 -0.030 0.000 0.846 102 R HN 0.626 nan 8.270 nan 0.000 0.431 103 S N 0.122 115.745 115.700 -0.128 0.000 2.368 103 S HA -0.158 4.312 4.470 0.000 0.000 0.225 103 S C 1.980 176.464 174.600 -0.192 0.000 1.030 103 S CA 0.839 58.962 58.200 -0.128 0.000 0.999 103 S CB -0.262 62.882 63.200 -0.093 0.000 0.844 103 S HN 0.370 nan 8.310 nan 0.000 0.459 104 Q N 0.866 120.453 119.800 -0.355 0.000 2.096 104 Q HA -0.019 4.322 4.340 0.000 0.000 0.204 104 Q C 2.263 178.145 176.000 -0.197 0.000 0.982 104 Q CA 1.451 57.040 55.803 -0.357 0.000 0.850 104 Q CB -0.677 27.696 28.738 -0.608 0.000 0.901 104 Q HN 0.650 nan 8.270 nan 0.000 0.422 105 L N 0.972 122.096 121.223 -0.165 0.000 2.056 105 L HA -0.103 4.237 4.340 0.000 0.000 0.207 105 L C 1.453 178.280 176.870 -0.071 0.000 1.078 105 L CA 0.758 55.541 54.840 -0.096 0.000 0.749 105 L CB -0.195 41.820 42.059 -0.073 0.000 0.901 105 L HN 0.159 nan 8.230 nan 0.000 0.433 125 E N 1.803 122.000 120.200 -0.006 0.000 2.038 125 E HA -0.120 4.230 4.350 0.000 0.000 0.195 125 E C 1.402 177.999 176.600 -0.005 0.000 1.000 125 E CA 1.844 58.240 56.400 -0.006 0.000 0.803 125 E CB -0.123 29.573 29.700 -0.007 0.000 0.750 125 E HN 0.547 nan 8.360 nan 0.000 0.448 126 D N 0.570 120.968 120.400 -0.004 0.000 2.117 126 D HA -0.124 4.516 4.640 0.000 0.000 0.198 126 D C 1.944 178.244 176.300 -0.000 0.000 0.982 126 D CA 1.242 55.241 54.000 -0.003 0.000 0.828 126 D CB -0.326 40.472 40.800 -0.003 0.000 0.967 126 D HN 0.172 nan 8.370 nan 0.000 0.464 127 A N 0.959 123.779 122.820 -0.001 0.000 1.908 127 A HA -0.165 4.155 4.320 0.000 0.000 0.218 127 A C 2.382 179.968 177.584 0.003 0.000 1.181 127 A CA 0.975 53.013 52.037 0.002 0.000 0.627 127 A CB -0.760 18.241 19.000 0.001 0.000 0.818 127 A HN 0.186 nan 8.150 nan 0.000 0.445 128 I N -0.446 120.125 120.570 0.000 0.000 2.179 128 I HA -0.221 3.949 4.170 0.000 0.000 0.242 128 I C 2.686 178.804 176.117 0.001 0.000 1.088 128 I CA 1.450 62.749 61.300 -0.000 0.000 1.357 128 I CB -0.244 37.754 38.000 -0.004 0.000 1.051 128 I HN 0.230 nan 8.210 nan 0.000 0.409 129 S N 0.709 116.409 115.700 0.001 0.000 2.383 129 S HA -0.183 4.287 4.470 0.000 0.000 0.229 129 S C 1.893 176.499 174.600 0.010 0.000 1.030 129 S CA 1.250 59.451 58.200 0.003 0.000 1.002 129 S CB -0.388 62.812 63.200 -0.000 0.000 0.829 129 S HN 0.306 nan 8.310 nan 0.000 0.467 130 L N 2.022 123.251 121.223 0.011 0.000 2.046 130 L HA -0.098 4.242 4.340 0.000 0.000 0.208 130 L C 2.169 179.054 176.870 0.026 0.000 1.077 130 L CA 1.744 56.594 54.840 0.017 0.000 0.747 130 L CB -0.773 41.295 42.059 0.015 0.000 0.896 130 L HN 0.144 nan 8.230 nan 0.000 0.432 131 Q N 0.079 119.891 119.800 0.019 0.000 2.124 131 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 131 Q C 2.226 178.241 176.000 0.024 0.000 0.977 131 Q CA 1.611 57.426 55.803 0.020 0.000 0.850 131 Q CB -0.445 28.299 28.738 0.011 0.000 0.901 131 Q HN 0.562 nan 8.270 nan 0.000 0.429 132 K N 0.653 121.067 120.400 0.023 0.000 2.057 132 K HA -0.044 4.276 4.320 0.000 0.000 0.207 132 K C 2.092 178.721 176.600 0.048 0.000 1.049 132 K CA 1.173 57.478 56.287 0.030 0.000 0.931 132 K CB -0.170 32.339 32.500 0.014 0.000 0.714 132 K HN 0.174 nan 8.250 nan 0.000 0.440 133 A N 1.335 124.186 122.820 0.052 0.000 1.930 133 A HA -0.111 4.209 4.320 0.000 0.000 0.217 133 A C 2.085 179.772 177.584 0.171 0.000 1.175 133 A CA 1.125 53.213 52.037 0.085 0.000 0.627 133 A CB -0.549 18.483 19.000 0.053 0.000 0.815 133 A HN 0.144 nan 8.150 nan 0.000 0.443 134 L N -0.666 120.636 121.223 0.132 0.000 2.017 134 L HA -0.189 4.151 4.340 0.000 0.000 0.208 134 L C 2.572 179.425 176.870 -0.029 0.000 1.073 134 L CA 1.187 56.122 54.840 0.158 0.000 0.745 134 L CB -0.562 41.543 42.059 0.078 0.000 0.894 134 L HN 0.377 nan 8.230 nan 0.000 0.432 135 L N -0.546 120.654 121.223 -0.038 0.000 2.056 135 L HA -0.196 4.144 4.340 0.000 0.000 0.207 135 L C 2.608 179.396 176.870 -0.138 0.000 1.078 135 L CA 1.162 55.929 54.840 -0.121 0.000 0.749 135 L CB -0.590 41.437 42.059 -0.054 0.000 0.901 135 L HN 0.374 nan 8.230 nan 0.000 0.433 136 E N 0.444 120.638 120.200 -0.009 0.000 2.048 136 E HA -0.325 4.025 4.350 0.000 0.000 0.202 136 E C 2.142 178.740 176.600 -0.004 0.000 1.021 136 E CA 2.105 58.521 56.400 0.027 0.000 0.825 136 E CB -0.223 29.528 29.700 0.084 0.000 0.756 136 E HN 0.669 nan 8.360 nan 0.000 0.454 137 H N -0.933 118.121 119.070 -0.027 0.000 2.495 137 H HA 0.012 4.568 4.556 0.000 0.000 0.287 137 H C 1.519 176.829 175.328 -0.030 0.000 1.033 137 H CA 0.919 56.954 56.048 -0.022 0.000 1.307 137 H CB 0.070 29.823 29.762 -0.015 0.000 1.401 137 H HN 0.223 nan 8.280 nan 0.000 0.555 138 Q N 0.898 120.378 119.800 -0.532 0.000 2.424 138 Q HA 0.183 4.524 4.340 0.000 0.000 0.204 138 Q C 1.063 176.925 176.000 -0.230 0.000 0.933 138 Q CA 0.067 55.635 55.803 -0.391 0.000 0.929 138 Q CB 0.515 28.984 28.738 -0.449 0.000 1.037 138 Q HN 0.495 nan 8.270 nan 0.000 0.511 139 L N 1.621 122.661 121.223 -0.305 0.000 2.480 139 L HA 0.113 4.453 4.340 0.000 0.000 0.243 139 L C 0.654 177.481 176.870 -0.072 0.000 1.315 139 L CA -0.371 54.203 54.840 -0.444 0.000 1.231 139 L CB -0.276 41.413 42.059 -0.617 0.000 1.444 139 L HN 0.168 nan 8.230 nan 0.000 0.409 140 C N -2.972 116.379 119.300 0.085 0.000 3.240 140 C HA 0.551 5.012 4.460 0.000 0.000 0.271 140 C C 1.054 176.113 174.990 0.115 0.000 1.534 140 C CA -0.600 58.471 59.018 0.088 0.000 1.796 140 C CB -0.910 26.861 27.740 0.052 0.000 2.892 140 C HN 0.510 nan 8.230 nan 0.000 0.566 141 G N 0.711 109.623 108.800 0.187 0.000 2.511 141 G HA2 0.590 4.550 3.960 0.000 0.000 0.316 141 G HA3 0.590 4.550 3.960 0.000 0.000 0.316 141 G C -0.930 173.985 174.900 0.025 0.000 1.210 141 G CA -0.300 44.836 45.100 0.060 0.000 0.969 141 G HN 0.273 nan 8.290 nan 0.000 0.492 142 V N 0.612 120.510 119.914 -0.027 0.000 2.427 142 V HA 0.573 4.693 4.120 0.000 0.000 0.286 142 V C 0.065 176.123 176.094 -0.061 0.000 1.034 142 V CA -0.250 62.034 62.300 -0.026 0.000 0.893 142 V CB 0.874 32.686 31.823 -0.018 0.000 0.982 142 V HN 0.497 nan 8.190 nan 0.000 0.452 143 L N 5.120 126.318 121.223 -0.042 0.000 2.415 143 L HA 0.593 4.933 4.340 0.000 0.000 0.256 143 L C -2.393 174.467 176.870 -0.017 0.000 1.010 143 L CA -1.882 52.928 54.840 -0.049 0.000 0.826 143 L CB 2.773 44.794 42.059 -0.063 0.000 1.405 143 L HN 0.447 nan 8.230 nan 0.000 0.410 144 P HA 0.067 nan 4.420 nan 0.000 0.268 144 P C 0.365 177.670 177.300 0.009 0.000 1.204 144 P CA -0.188 62.937 63.100 0.041 0.000 0.768 144 P CB 0.851 32.651 31.700 0.167 0.000 0.842 145 S N 0.509 116.215 115.700 0.010 0.000 2.436 145 S HA 0.057 4.527 4.470 0.000 0.000 0.228 145 S C 0.830 175.394 174.600 -0.059 0.000 1.014 145 S CA 0.582 58.775 58.200 -0.011 0.000 0.950 145 S CB -0.143 63.064 63.200 0.012 0.000 0.784 145 S HN 0.596 nan 8.310 nan 0.000 0.504 146 S N -1.434 114.226 115.700 -0.068 0.000 2.565 146 S HA 0.593 5.063 4.470 0.000 0.000 0.269 146 S C -0.552 173.946 174.600 -0.171 0.000 1.153 146 S CA -0.718 57.405 58.200 -0.128 0.000 0.835 146 S CB 0.199 63.393 63.200 -0.011 0.000 1.122 146 S HN 0.055 nan 8.310 nan 0.000 0.462 147 F N 1.635 121.466 119.950 -0.198 0.000 2.502 147 F HA 0.081 4.608 4.527 0.000 0.000 0.298 147 F C 1.807 177.532 175.800 -0.125 0.000 1.111 147 F CA 0.678 58.421 58.000 -0.429 0.000 1.445 147 F CB -0.204 38.529 39.000 -0.445 0.000 1.081 147 F HN 0.559 nan 8.300 nan 0.000 0.558 148 D N -0.599 119.883 120.400 0.138 0.000 2.265 148 D HA -0.141 4.499 4.640 0.000 0.000 0.208 148 D C 2.286 178.687 176.300 0.168 0.000 0.977 148 D CA 1.522 55.598 54.000 0.128 0.000 0.871 148 D CB -0.367 40.484 40.800 0.086 0.000 0.925 148 D HN 0.302 nan 8.370 nan 0.000 0.485 149 S N -0.782 115.060 115.700 0.237 0.000 2.528 149 S HA 0.019 4.489 4.470 0.000 0.000 0.219 149 S C 0.639 175.430 174.600 0.319 0.000 0.985 149 S CA -0.408 57.932 58.200 0.234 0.000 0.914 149 S CB -0.213 63.100 63.200 0.188 0.000 0.776 149 S HN -0.100 nan 8.310 nan 0.000 0.526 150 F N 3.049 123.058 119.950 0.099 0.000 2.459 150 F HA 0.586 5.113 4.527 0.000 0.000 0.346 150 F C 1.270 177.112 175.800 0.070 0.000 1.128 150 F CA -0.820 57.241 58.000 0.102 0.000 1.268 150 F CB 0.474 39.578 39.000 0.175 0.000 1.161 150 F HN -0.010 nan 8.300 nan 0.000 0.583 151 R N 1.365 121.987 120.500 0.203 0.000 2.855 151 R HA 0.413 4.753 4.340 0.000 0.000 0.266 151 R C -1.503 174.853 176.300 0.093 0.000 1.034 151 R CA -1.464 54.705 56.100 0.115 0.000 0.944 151 R CB 1.588 31.926 30.300 0.062 0.000 1.219 151 R HN 0.526 nan 8.270 nan 0.000 0.474 152 L N 1.348 122.611 121.223 0.067 0.000 2.584 152 L HA 0.192 4.532 4.340 0.000 0.000 0.272 152 L C 1.101 177.993 176.870 0.036 0.000 1.195 152 L CA 1.950 56.822 54.840 0.053 0.000 0.920 152 L CB 0.036 42.118 42.059 0.038 0.000 1.173 152 L HN 0.958 nan 8.230 nan 0.000 0.489 153 G N 3.245 112.068 108.800 0.037 0.000 2.155 153 G HA2 -0.234 3.726 3.960 0.000 0.000 0.257 153 G HA3 -0.234 3.726 3.960 0.000 0.000 0.257 153 G C 0.380 175.276 174.900 -0.008 0.000 0.983 153 G CA 0.495 45.606 45.100 0.019 0.000 0.676 153 G HN 0.708 nan 8.290 nan 0.000 0.528 154 R N -1.816 118.670 120.500 -0.024 0.000 2.817 154 R HA 0.730 5.070 4.340 0.000 0.000 0.268 154 R C 0.835 176.991 176.300 -0.240 0.000 1.027 154 R CA 0.041 56.084 56.100 -0.095 0.000 0.928 154 R CB 1.191 31.450 30.300 -0.069 0.000 1.228 154 R HN 1.152 nan 8.270 nan 0.000 0.469 155 G N -0.303 108.260 108.800 -0.396 0.000 2.624 155 G HA2 -0.165 3.795 3.960 0.000 0.000 0.190 155 G HA3 -0.165 3.795 3.960 0.000 0.000 0.190 155 G C 0.207 174.574 174.900 -0.889 0.000 1.008 155 G CA -0.330 44.243 45.100 -0.878 0.000 0.731 155 G HN 0.356 nan 8.290 nan 0.000 0.478 156 L N 1.149 122.058 121.223 -0.523 0.000 2.872 156 L HA 0.350 4.690 4.340 0.000 0.000 0.245 156 L C 1.806 178.577 176.870 -0.166 0.000 1.211 156 L CA -0.056 54.618 54.840 -0.278 0.000 1.013 156 L CB 0.577 42.559 42.059 -0.129 0.000 1.326 156 L HN 0.120 nan 8.230 nan 0.000 0.525 157 E N 0.189 120.288 120.200 -0.168 0.000 2.209 157 E HA -0.163 4.187 4.350 0.000 0.000 0.196 157 E C 1.189 177.734 176.600 -0.092 0.000 0.993 157 E CA 0.903 57.238 56.400 -0.109 0.000 0.819 157 E CB -0.020 29.622 29.700 -0.096 0.000 0.745 157 E HN 0.301 nan 8.360 nan 0.000 0.477 158 N N 0.240 118.879 118.700 -0.100 0.000 2.314 158 N HA 0.023 4.764 4.740 0.000 0.000 0.200 158 N C -0.621 174.830 175.510 -0.098 0.000 1.135 158 N CA 0.202 53.200 53.050 -0.087 0.000 0.835 158 N CB 0.398 38.838 38.487 -0.078 0.000 0.989 158 N HN 0.097 nan 8.380 nan 0.000 0.478 159 S N -0.841 114.800 115.700 -0.097 0.000 2.568 159 S HA 0.529 4.999 4.470 0.000 0.000 0.302 159 S C -0.067 174.479 174.600 -0.089 0.000 1.082 159 S CA -0.876 57.262 58.200 -0.103 0.000 1.009 159 S CB 1.791 64.941 63.200 -0.083 0.000 1.069 159 S HN 0.030 nan 8.310 nan 0.000 0.500 160 L N 2.085 123.251 121.223 -0.094 0.000 2.456 160 L HA 0.334 4.674 4.340 0.000 0.000 0.272 160 L C -2.078 174.751 176.870 -0.068 0.000 1.189 160 L CA -1.849 52.946 54.840 -0.074 0.000 0.846 160 L CB 0.149 42.166 42.059 -0.070 0.000 1.111 160 L HN 0.516 nan 8.230 nan 0.000 0.475 161 P HA -0.021 nan 4.420 nan 0.000 0.265 161 P C 0.755 178.011 177.300 -0.073 0.000 1.187 161 P CA 0.003 63.064 63.100 -0.065 0.000 0.766 161 P CB 0.532 32.201 31.700 -0.053 0.000 0.820 162 L N 2.249 123.411 121.223 -0.101 0.000 2.042 162 L HA -0.233 4.107 4.340 0.000 0.000 0.210 162 L C 2.326 179.152 176.870 -0.073 0.000 1.076 162 L CA 1.820 56.590 54.840 -0.116 0.000 0.749 162 L CB -0.879 41.054 42.059 -0.210 0.000 0.893 162 L HN 0.534 nan 8.230 nan 0.000 0.432 163 E N -0.069 120.091 120.200 -0.067 0.000 2.153 163 E HA -0.174 4.176 4.350 0.000 0.000 0.194 163 E C 2.107 178.680 176.600 -0.046 0.000 0.988 163 E CA 1.427 57.794 56.400 -0.055 0.000 0.811 163 E CB -0.454 29.211 29.700 -0.058 0.000 0.746 163 E HN 0.279 nan 8.360 nan 0.000 0.466 164 V N 1.467 121.354 119.914 -0.044 0.000 2.358 164 V HA -0.221 3.899 4.120 0.000 0.000 0.246 164 V C 2.486 178.565 176.094 -0.026 0.000 1.047 164 V CA 1.442 63.720 62.300 -0.036 0.000 1.035 164 V CB -0.110 31.691 31.823 -0.036 0.000 0.658 164 V HN 0.216 nan 8.190 nan 0.000 0.452 165 V N -0.060 119.840 119.914 -0.024 0.000 2.332 165 V HA -0.286 3.834 4.120 0.000 0.000 0.248 165 V C 2.567 178.665 176.094 0.006 0.000 1.055 165 V CA 2.133 64.430 62.300 -0.005 0.000 1.038 165 V CB -0.840 30.985 31.823 0.002 0.000 0.651 165 V HN 0.465 nan 8.190 nan 0.000 0.450 166 R N 0.164 120.662 120.500 -0.003 0.000 2.073 166 R HA -0.110 4.230 4.340 0.000 0.000 0.234 166 R C 2.520 178.816 176.300 -0.006 0.000 1.134 166 R CA 1.531 57.633 56.100 0.003 0.000 0.952 166 R CB -0.902 29.393 30.300 -0.010 0.000 0.850 166 R HN 0.597 nan 8.270 nan 0.000 0.433 167 G N 1.005 109.794 108.800 -0.019 0.000 2.422 167 G HA2 -0.149 3.811 3.960 0.000 0.000 0.218 167 G HA3 -0.149 3.811 3.960 0.000 0.000 0.218 167 G C 0.681 175.571 174.900 -0.017 0.000 1.146 167 G CA 0.739 45.825 45.100 -0.024 0.000 0.769 167 G HN 0.450 nan 8.290 nan 0.000 0.547 171 I N 1.776 122.334 120.570 -0.020 0.000 2.226 171 I HA -0.121 4.049 4.170 0.000 0.000 0.245 171 I C 2.687 178.789 176.117 -0.025 0.000 1.100 171 I CA 1.284 62.569 61.300 -0.025 0.000 1.374 171 I CB -0.181 37.804 38.000 -0.025 0.000 1.057 171 I HN 0.076 nan 8.210 nan 0.000 0.413 172 R N 1.367 121.856 120.500 -0.018 0.000 2.083 172 R HA -0.134 4.206 4.340 0.000 0.000 0.237 172 R C 2.035 178.321 176.300 -0.023 0.000 1.137 172 R CA 1.858 57.948 56.100 -0.017 0.000 0.951 172 R CB -1.180 29.111 30.300 -0.014 0.000 0.851 172 R HN 0.182 nan 8.270 nan 0.000 0.434 173 V N 1.325 121.224 119.914 -0.024 0.000 2.261 173 V HA -0.253 3.867 4.120 0.000 0.000 0.246 173 V C 2.184 178.259 176.094 -0.032 0.000 1.047 173 V CA 2.244 64.528 62.300 -0.026 0.000 1.015 173 V CB -0.877 30.933 31.823 -0.021 0.000 0.642 173 V HN 0.472 nan 8.190 nan 0.000 0.446 174 N N 0.822 119.501 118.700 -0.035 0.000 2.104 174 N HA -0.201 4.539 4.740 0.000 0.000 0.190 174 N C 1.942 177.409 175.510 -0.072 0.000 1.024 174 N CA 1.919 54.940 53.050 -0.048 0.000 0.853 174 N CB -0.268 38.190 38.487 -0.048 0.000 1.008 174 N HN 0.576 nan 8.380 nan 0.000 0.424 175 S N -0.581 115.081 115.700 -0.062 0.000 2.447 175 S HA -0.041 4.429 4.470 0.000 0.000 0.233 175 S C 1.769 176.335 174.600 -0.056 0.000 1.006 175 S CA 0.665 58.826 58.200 -0.066 0.000 0.957 175 S CB -0.410 62.768 63.200 -0.037 0.000 0.773 175 S HN 0.368 nan 8.310 nan 0.000 0.507 176 L N 1.777 122.972 121.223 -0.046 0.000 2.529 176 L HA 0.111 4.452 4.340 0.000 0.000 0.223 176 L C 2.656 179.491 176.870 -0.058 0.000 1.113 176 L CA 0.973 55.790 54.840 -0.040 0.000 0.861 176 L CB -0.627 41.419 42.059 -0.022 0.000 1.012 176 L HN 0.521 nan 8.230 nan 0.000 0.461 177 T N -3.397 111.118 114.554 -0.064 0.000 3.085 177 T HA -0.077 4.273 4.350 0.000 0.000 0.263 177 T C 1.785 176.435 174.700 -0.084 0.000 1.127 177 T CA 0.365 62.432 62.100 -0.054 0.000 1.103 177 T CB -0.161 68.691 68.868 -0.028 0.000 0.921 177 T HN 0.256 nan 8.240 nan 0.000 0.510 178 R N 0.755 121.155 120.500 -0.166 0.000 2.276 178 R HA 0.287 4.627 4.340 0.000 0.000 0.203 178 R C 1.882 177.881 176.300 -0.501 0.000 1.017 178 R CA 0.516 56.435 56.100 -0.302 0.000 1.010 178 R CB -0.263 29.796 30.300 -0.403 0.000 0.900 178 R HN 0.564 nan 8.270 nan 0.000 0.469 179 G N 0.340 108.953 108.800 -0.312 0.000 2.132 179 G HA2 -0.296 3.664 3.960 0.000 0.000 0.234 179 G HA3 -0.296 3.664 3.960 0.000 0.000 0.234 179 G C 0.163 174.981 174.900 -0.137 0.000 0.989 179 G CA 0.372 45.350 45.100 -0.203 0.000 0.676 179 G HN 0.593 nan 8.290 nan 0.000 0.522 180 H N -0.691 118.384 119.070 0.007 0.000 2.652 180 H HA 0.373 4.929 4.556 0.000 0.000 0.274 180 H C 2.058 177.395 175.328 0.015 0.000 1.021 180 H CA 0.651 56.701 56.048 0.002 0.000 1.187 180 H CB 0.810 30.566 29.762 -0.010 0.000 1.505 180 H HN 0.370 nan 8.280 nan 0.000 0.530 181 S N -0.077 115.688 115.700 0.107 0.000 2.554 181 S HA 0.316 4.786 4.470 0.000 0.000 0.227 181 S C 1.272 175.911 174.600 0.066 0.000 1.050 181 S CA 0.301 58.549 58.200 0.080 0.000 0.927 181 S CB 1.124 64.356 63.200 0.054 0.000 0.859 181 S HN 0.479 nan 8.310 nan 0.000 0.494 182 A N 1.149 124.007 122.820 0.064 0.000 2.869 182 A HA -0.124 4.196 4.320 0.000 0.000 0.280 182 A C 0.124 177.733 177.584 0.042 0.000 1.458 182 A CA 0.394 52.471 52.037 0.066 0.000 0.776 182 A CB -2.294 16.762 19.000 0.094 0.000 1.028 182 A HN 0.358 nan 8.150 nan 0.000 0.547 183 V N 0.980 120.911 119.914 0.027 0.000 2.427 183 V HA 0.401 4.521 4.120 0.000 0.000 0.286 183 V C 1.132 177.232 176.094 0.009 0.000 1.034 183 V CA -0.637 61.672 62.300 0.014 0.000 0.893 183 V CB 1.485 33.312 31.823 0.005 0.000 0.982 183 V HN 0.618 nan 8.190 nan 0.000 0.452 184 R N 2.318 122.823 120.500 0.007 0.000 2.694 184 R HA 0.116 4.456 4.340 0.000 0.000 0.268 184 R C 1.142 177.442 176.300 0.000 0.000 1.061 184 R CA -0.554 55.550 56.100 0.006 0.000 1.133 184 R CB 0.281 30.585 30.300 0.006 0.000 1.020 184 R HN 0.611 nan 8.270 nan 0.000 0.475 185 L N 3.598 124.823 121.223 0.003 0.000 2.079 185 L HA -0.173 4.167 4.340 0.000 0.000 0.210 185 L C 2.031 178.901 176.870 -0.000 0.000 1.081 185 L CA 1.582 56.423 54.840 0.001 0.000 0.752 185 L CB -0.427 41.635 42.059 0.005 0.000 0.896 185 L HN 0.608 nan 8.230 nan 0.000 0.433 186 V N -1.283 118.632 119.914 0.002 0.000 2.469 186 V HA -0.254 3.866 4.120 0.000 0.000 0.251 186 V C 2.389 178.477 176.094 -0.010 0.000 1.064 186 V CA 1.928 64.230 62.300 0.002 0.000 1.066 186 V CB -0.085 31.742 31.823 0.007 0.000 0.667 186 V HN 0.348 nan 8.190 nan 0.000 0.461 187 V N 0.025 119.928 119.914 -0.018 0.000 2.358 187 V HA -0.222 3.898 4.120 0.000 0.000 0.246 187 V C 2.349 178.414 176.094 -0.048 0.000 1.047 187 V CA 2.243 64.521 62.300 -0.037 0.000 1.035 187 V CB -0.512 31.293 31.823 -0.032 0.000 0.658 187 V HN 0.505 nan 8.190 nan 0.000 0.452 188 L N -0.337 120.867 121.223 -0.031 0.000 2.056 188 L HA -0.172 4.168 4.340 0.000 0.000 0.207 188 L C 2.527 179.381 176.870 -0.026 0.000 1.078 188 L CA 1.659 56.480 54.840 -0.031 0.000 0.749 188 L CB -0.790 41.258 42.059 -0.020 0.000 0.901 188 L HN 0.381 nan 8.230 nan 0.000 0.433 189 E N 0.489 120.682 120.200 -0.012 0.000 2.204 189 E HA -0.203 4.147 4.350 0.000 0.000 0.195 189 E C 2.302 178.905 176.600 0.006 0.000 0.990 189 E CA 1.044 57.447 56.400 0.005 0.000 0.821 189 E CB -0.131 29.581 29.700 0.018 0.000 0.750 189 E HN 0.505 nan 8.360 nan 0.000 0.477 190 A N 1.081 123.881 122.820 -0.034 0.000 1.902 190 A HA -0.157 4.163 4.320 0.000 0.000 0.217 190 A C 2.158 179.639 177.584 -0.172 0.000 1.181 190 A CA 1.014 52.999 52.037 -0.086 0.000 0.623 190 A CB -0.515 18.393 19.000 -0.154 0.000 0.818 190 A HN 0.127 nan 8.150 nan 0.000 0.443 191 L N -0.198 120.930 121.223 -0.159 0.000 2.027 191 L HA -0.155 4.185 4.340 0.000 0.000 0.206 191 L C 3.040 179.914 176.870 0.007 0.000 1.074 191 L CA 1.850 56.614 54.840 -0.126 0.000 0.745 191 L CB -0.958 41.046 42.059 -0.092 0.000 0.898 191 L HN 0.638 nan 8.230 nan 0.000 0.433 192 T N -3.523 111.037 114.554 0.011 0.000 2.867 192 T HA -0.111 4.239 4.350 0.000 0.000 0.268 192 T C 1.730 176.465 174.700 0.058 0.000 1.057 192 T CA 1.155 63.272 62.100 0.027 0.000 1.136 192 T CB -0.358 68.515 68.868 0.008 0.000 0.874 192 T HN 0.197 nan 8.240 nan 0.000 0.466 193 N N 0.800 119.568 118.700 0.114 0.000 2.188 193 N HA 0.039 4.779 4.740 0.000 0.000 0.184 193 N C 1.426 177.130 175.510 0.324 0.000 1.018 193 N CA 0.803 53.983 53.050 0.216 0.000 0.858 193 N CB -0.587 38.077 38.487 0.294 0.000 0.989 193 N HN 0.324 nan 8.380 nan 0.000 0.426 194 F N 1.563 121.532 119.950 0.032 0.000 2.095 194 F HA -0.055 4.472 4.527 0.000 0.000 0.298 194 F C 2.290 178.069 175.800 -0.036 0.000 1.104 194 F CA 0.556 58.553 58.000 -0.004 0.000 1.232 194 F CB -0.984 38.018 39.000 0.003 0.000 0.987 194 F HN -0.028 nan 8.300 nan 0.000 0.475 195 L N -0.275 121.044 121.223 0.160 0.000 2.012 195 L HA -0.282 4.058 4.340 0.000 0.000 0.210 195 L C 2.108 178.960 176.870 -0.030 0.000 1.073 195 L CA 1.506 56.375 54.840 0.048 0.000 0.748 195 L CB -0.694 41.381 42.059 0.028 0.000 0.891 195 L HN 0.118 nan 8.230 nan 0.000 0.431 196 N N -1.576 117.074 118.700 -0.084 0.000 2.409 196 N HA -0.103 4.637 4.740 0.000 0.000 0.179 196 N C 1.425 176.731 175.510 -0.341 0.000 1.032 196 N CA 0.871 53.798 53.050 -0.206 0.000 0.898 196 N CB -0.135 38.202 38.487 -0.250 0.000 0.971 196 N HN 0.414 nan 8.380 nan 0.000 0.441 197 H N -0.594 118.388 119.070 -0.146 0.000 2.549 197 H HA 0.245 4.801 4.556 0.000 0.000 0.279 197 H C 0.803 175.877 175.328 -0.424 0.000 1.018 197 H CA 0.382 56.213 56.048 -0.362 0.000 1.175 197 H CB 0.291 29.642 29.762 -0.684 0.000 1.485 197 H HN 0.165 nan 8.280 nan 0.000 0.543 198 G N 1.875 110.589 108.800 -0.144 0.000 2.273 198 G HA2 -0.276 3.684 3.960 0.000 0.000 0.280 198 G HA3 -0.276 3.684 3.960 0.000 0.000 0.280 198 G C 0.086 174.908 174.900 -0.129 0.000 1.047 198 G CA 0.095 45.142 45.100 -0.088 0.000 0.869 198 G HN 0.370 nan 8.290 nan 0.000 0.502 199 I N 1.228 121.655 120.570 -0.240 0.000 2.304 199 I HA 0.373 4.543 4.170 0.000 0.000 0.291 199 I C 0.147 176.178 176.117 -0.143 0.000 1.018 199 I CA -0.243 60.850 61.300 -0.345 0.000 1.260 199 I CB 1.540 39.011 38.000 -0.881 0.000 1.390 199 I HN 0.039 nan 8.210 nan 0.000 0.475 200 T N 7.050 121.603 114.554 -0.002 0.000 2.864 200 T HA 0.334 4.684 4.350 0.000 0.000 0.299 200 T C -2.509 172.251 174.700 0.100 0.000 1.011 200 T CA -1.486 60.658 62.100 0.075 0.000 0.975 200 T CB 1.534 70.424 68.868 0.037 0.000 0.962 200 T HN 0.199 nan 8.240 nan 0.000 0.448 201 P HA 0.110 nan 4.420 nan 0.000 0.265 201 P C -0.338 177.013 177.300 0.084 0.000 1.187 201 P CA -0.420 62.770 63.100 0.151 0.000 0.766 201 P CB 0.386 32.203 31.700 0.194 0.000 0.820 202 I N 3.947 124.560 120.570 0.072 0.000 2.337 202 I HA 0.157 4.327 4.170 0.000 0.000 0.291 202 I C 0.120 176.199 176.117 -0.063 0.000 1.046 202 I CA -0.073 61.234 61.300 0.013 0.000 1.324 202 I CB 0.298 38.309 38.000 0.018 0.000 1.409 202 I HN 0.039 nan 8.210 nan 0.000 0.494 203 V N 8.951 128.776 119.914 -0.148 0.000 2.656 203 V HA 0.392 4.512 4.120 0.000 0.000 0.307 203 V C -2.300 173.576 176.094 -0.363 0.000 1.051 203 V CA -1.973 60.126 62.300 -0.335 0.000 0.893 203 V CB 2.260 33.988 31.823 -0.157 0.000 0.999 203 V HN 0.536 nan 8.190 nan 0.000 0.426 204 P HA 0.063 nan 4.420 nan 0.000 0.267 204 P C 0.555 177.736 177.300 -0.198 0.000 1.200 204 P CA -0.097 62.806 63.100 -0.327 0.000 0.772 204 P CB 0.698 32.189 31.700 -0.349 0.000 0.855 205 L N 3.170 124.313 121.223 -0.132 0.000 2.056 205 L HA -0.011 4.329 4.340 0.000 0.000 0.207 205 L C 0.810 177.638 176.870 -0.070 0.000 1.078 205 L CA 1.820 56.606 54.840 -0.089 0.000 0.749 205 L CB -0.307 41.709 42.059 -0.072 0.000 0.901 205 L HN 0.291 nan 8.230 nan 0.000 0.433 206 R N -2.176 118.283 120.500 -0.068 0.000 2.832 206 R HA 0.590 4.930 4.340 0.000 0.000 0.271 206 R C 0.330 176.610 176.300 -0.034 0.000 0.996 206 R CA -0.032 56.043 56.100 -0.042 0.000 0.977 206 R CB 1.326 31.606 30.300 -0.033 0.000 1.168 206 R HN 0.134 nan 8.270 nan 0.000 0.482 207 G N 0.119 108.911 108.800 -0.013 0.000 2.551 207 G HA2 -0.211 3.749 3.960 0.000 0.000 0.186 207 G HA3 -0.211 3.749 3.960 0.000 0.000 0.186 207 G C 0.069 174.976 174.900 0.012 0.000 1.002 207 G CA -0.087 45.015 45.100 0.003 0.000 0.723 207 G HN 0.584 nan 8.290 nan 0.000 0.481 208 T N 1.012 115.570 114.554 0.007 0.000 2.909 208 T HA 0.587 4.937 4.350 0.000 0.000 0.286 208 T C 1.668 176.379 174.700 0.017 0.000 1.002 208 T CA -0.068 62.040 62.100 0.014 0.000 1.074 208 T CB 0.756 69.631 68.868 0.013 0.000 0.984 208 T HN 0.807 nan 8.240 nan 0.000 0.495 209 I N 0.905 121.489 120.570 0.024 0.000 3.928 209 I HA 0.338 4.508 4.170 0.000 0.000 0.335 209 I C 0.550 176.691 176.117 0.040 0.000 1.325 209 I CA -0.555 60.764 61.300 0.031 0.000 1.107 209 I CB -0.125 37.896 38.000 0.035 0.000 1.014 209 I HN 0.587 nan 8.210 nan 0.000 0.400 210 S N 1.259 116.982 115.700 0.039 0.000 3.614 210 S HA -0.147 4.323 4.470 0.000 0.000 0.360 210 S C 0.417 175.070 174.600 0.088 0.000 1.023 210 S CA 0.721 58.953 58.200 0.053 0.000 1.114 210 S CB -1.729 61.496 63.200 0.042 0.000 0.907 210 S HN 0.939 nan 8.310 nan 0.000 0.470 211 A N 1.101 123.980 122.820 0.099 0.000 3.884 211 A HA 0.938 5.258 4.320 0.000 0.000 0.170 211 A C 1.567 179.206 177.584 0.093 0.000 0.825 211 A CA 0.448 52.602 52.037 0.196 0.000 0.978 211 A CB -0.970 18.137 19.000 0.178 0.000 1.566 211 A HN 1.467 nan 8.150 nan 0.000 0.770 212 S N -1.026 114.549 115.700 -0.209 0.000 2.693 212 S HA 0.246 4.716 4.470 0.000 0.000 0.315 212 S C 2.167 176.636 174.600 -0.218 0.000 0.860 212 S CA 1.981 59.684 58.200 -0.827 0.000 1.061 212 S CB -1.688 61.075 63.200 -0.728 0.000 0.705 212 S HN 2.661 nan 8.310 nan 0.000 0.477 213 G N 0.145 108.991 108.800 0.076 0.000 2.525 213 G HA2 -0.189 3.771 3.960 0.000 0.000 0.248 213 G HA3 -0.189 3.771 3.960 0.000 0.000 0.248 213 G C -0.443 174.482 174.900 0.042 0.000 1.238 213 G CA 0.012 45.182 45.100 0.116 0.000 0.926 213 G HN 0.471 nan 8.290 nan 0.000 0.574 214 D N 1.745 122.169 120.400 0.039 0.000 2.934 214 D HA 0.304 4.944 4.640 0.000 0.000 0.237 214 D C 2.085 178.392 176.300 0.011 0.000 1.158 214 D CA -0.000 54.014 54.000 0.023 0.000 0.971 214 D CB -0.046 40.768 40.800 0.023 0.000 1.123 214 D HN 0.397 nan 8.370 nan 0.000 0.467 215 L N -0.118 121.101 121.223 -0.007 0.000 1.989 215 L HA -0.218 4.122 4.340 0.000 0.000 0.211 215 L C 2.508 179.367 176.870 -0.017 0.000 1.071 215 L CA 1.094 55.915 54.840 -0.031 0.000 0.749 215 L CB -0.481 41.546 42.059 -0.054 0.000 0.890 215 L HN 0.154 nan 8.230 nan 0.000 0.431 216 S N -0.146 115.560 115.700 0.009 0.000 2.348 216 S HA -0.069 4.401 4.470 0.000 0.000 0.221 216 S C -0.327 174.379 174.600 0.177 0.000 1.033 216 S CA 1.647 59.887 58.200 0.068 0.000 1.010 216 S CB -1.023 62.229 63.200 0.087 0.000 0.891 216 S HN 0.199 nan 8.310 nan 0.000 0.442 217 P HA -0.058 nan 4.420 nan 0.000 0.217 217 P C 1.545 178.917 177.300 0.120 0.000 1.150 217 P CA 1.026 64.192 63.100 0.109 0.000 0.832 217 P CB -0.255 31.457 31.700 0.020 0.000 0.787 218 L N -0.520 120.741 121.223 0.062 0.000 2.131 218 L HA -0.115 4.225 4.340 0.000 0.000 0.210 218 L C 2.608 179.491 176.870 0.022 0.000 1.092 218 L CA 1.317 56.178 54.840 0.035 0.000 0.759 218 L CB -0.964 41.102 42.059 0.011 0.000 0.903 218 L HN -0.012 nan 8.230 nan 0.000 0.435 219 S N -1.147 114.555 115.700 0.004 0.000 2.382 219 S HA -0.180 4.290 4.470 0.000 0.000 0.228 219 S C 1.838 176.367 174.600 -0.118 0.000 1.027 219 S CA 1.158 59.306 58.200 -0.087 0.000 0.991 219 S CB -0.325 62.767 63.200 -0.181 0.000 0.823 219 S HN 0.360 nan 8.310 nan 0.000 0.469 220 Y N 1.389 121.652 120.300 -0.060 0.000 2.224 220 Y HA -0.051 4.499 4.550 0.000 0.000 0.289 220 Y C 2.115 178.007 175.900 -0.013 0.000 1.146 220 Y CA 0.905 58.977 58.100 -0.046 0.000 1.182 220 Y CB -0.393 38.044 38.460 -0.037 0.000 0.983 220 Y HN 0.199 nan 8.280 nan 0.000 0.524 221 I N -0.605 120.041 120.570 0.126 0.000 2.226 221 I HA -0.338 3.832 4.170 0.000 0.000 0.245 221 I C 2.576 178.693 176.117 -0.000 0.000 1.100 221 I CA 1.192 62.533 61.300 0.069 0.000 1.374 221 I CB -0.560 37.465 38.000 0.042 0.000 1.057 221 I HN 0.196 nan 8.210 nan 0.000 0.413 222 A N 0.648 123.455 122.820 -0.023 0.000 1.902 222 A HA -0.152 4.168 4.320 0.000 0.000 0.217 222 A C 2.535 180.099 177.584 -0.032 0.000 1.181 222 A CA 1.780 53.789 52.037 -0.047 0.000 0.623 222 A CB -0.840 18.132 19.000 -0.046 0.000 0.818 222 A HN 0.429 nan 8.150 nan 0.000 0.443 223 A N -0.136 122.664 122.820 -0.035 0.000 1.933 223 A HA 0.151 4.471 4.320 0.000 0.000 0.218 223 A C 2.483 180.117 177.584 0.083 0.000 1.175 223 A CA 2.096 54.134 52.037 0.001 0.000 0.628 223 A CB -0.950 17.960 19.000 -0.150 0.000 0.814 223 A HN 1.002 nan 8.150 nan 0.000 0.444 224 A N 0.847 123.727 122.820 0.099 0.000 1.858 224 A HA -0.099 4.221 4.320 0.000 0.000 0.216 224 A C 2.137 179.829 177.584 0.179 0.000 1.190 224 A CA 1.593 53.758 52.037 0.213 0.000 0.617 224 A CB -0.884 18.313 19.000 0.329 0.000 0.827 224 A HN 1.004 nan 8.150 nan 0.000 0.443 225 I N -1.292 119.220 120.570 -0.098 0.000 2.567 225 I HA -0.129 4.041 4.170 0.000 0.000 0.257 225 I C 1.929 178.011 176.117 -0.057 0.000 1.184 225 I CA 1.870 62.996 61.300 -0.290 0.000 1.451 225 I CB -0.355 37.340 38.000 -0.508 0.000 1.089 225 I HN 0.305 nan 8.210 nan 0.000 0.441 226 S N 0.561 116.261 115.700 0.000 0.000 2.575 226 S HA 0.365 4.835 4.470 0.000 0.000 0.215 226 S C 1.599 176.241 174.600 0.070 0.000 0.966 226 S CA 0.146 58.363 58.200 0.027 0.000 0.911 226 S CB -0.136 63.074 63.200 0.018 0.000 0.780 226 S HN 0.867 nan 8.310 nan 0.000 0.514 227 G N 1.950 110.822 108.800 0.120 0.000 2.198 227 G HA2 -0.289 3.671 3.960 0.000 0.000 0.257 227 G HA3 -0.289 3.671 3.960 0.000 0.000 0.257 227 G C -0.041 174.936 174.900 0.128 0.000 1.042 227 G CA 0.193 45.374 45.100 0.134 0.000 0.791 227 G HN 0.794 nan 8.290 nan 0.000 0.502 228 H N 0.863 119.963 119.070 0.050 0.000 3.115 228 H HA 0.057 4.613 4.556 0.000 0.000 0.324 228 H C -0.800 174.563 175.328 0.058 0.000 1.007 228 H CA 0.017 56.085 56.048 0.032 0.000 1.385 228 H CB 1.029 30.798 29.762 0.010 0.000 1.351 228 H HN 0.134 nan 8.280 nan 0.000 0.592 229 P HA -0.094 nan 4.420 nan 0.000 0.223 229 P C 0.587 178.009 177.300 0.204 0.000 1.144 229 P CA 1.311 64.427 63.100 0.028 0.000 0.783 229 P CB 0.322 31.952 31.700 -0.116 0.000 0.771 230 D N -1.550 119.158 120.400 0.513 0.000 2.462 230 D HA 0.057 4.697 4.640 0.000 0.000 0.221 230 D C -0.225 176.269 176.300 0.324 0.000 1.173 230 D CA -0.094 54.167 54.000 0.436 0.000 0.831 230 D CB -0.148 40.841 40.800 0.315 0.000 1.001 230 D HN -0.128 nan 8.370 nan 0.000 0.499 231 S N 0.439 116.338 115.700 0.331 0.000 2.513 231 S HA 0.367 4.837 4.470 0.000 0.000 0.276 231 S C -0.235 174.471 174.600 0.176 0.000 1.254 231 S CA -0.589 57.730 58.200 0.198 0.000 1.053 231 S CB 0.422 63.730 63.200 0.182 0.000 0.958 231 S HN -0.032 nan 8.310 nan 0.000 0.491 232 K N 3.271 123.715 120.400 0.073 0.000 2.203 232 K HA 0.650 4.970 4.320 0.000 0.000 0.251 232 K C -0.420 176.204 176.600 0.039 0.000 0.944 232 K CA -0.839 55.423 56.287 -0.042 0.000 0.829 232 K CB 1.600 34.010 32.500 -0.150 0.000 1.125 232 K HN 0.584 nan 8.250 nan 0.000 0.430 233 V N -1.903 118.024 119.914 0.022 0.000 3.078 233 V HA 0.440 4.560 4.120 0.000 0.000 0.311 233 V C -0.666 175.468 176.094 0.068 0.000 1.138 233 V CA -0.935 61.396 62.300 0.052 0.000 1.007 233 V CB 2.138 33.961 31.823 -0.001 0.000 1.045 233 V HN 0.895 nan 8.190 nan 0.000 0.432 234 H N 2.805 121.870 119.070 -0.007 0.000 2.467 234 H HA 0.822 5.378 4.556 0.000 0.000 0.326 234 H C -0.991 174.330 175.328 -0.011 0.000 1.094 234 H CA 0.187 56.245 56.048 0.016 0.000 1.253 234 H CB 1.834 31.617 29.762 0.034 0.000 1.439 234 H HN 1.055 nan 8.280 nan 0.000 0.479 235 V N 2.435 122.166 119.914 -0.305 0.000 3.114 235 V HA 0.492 4.612 4.120 0.000 0.000 0.308 235 V C -1.013 174.944 176.094 -0.229 0.000 1.168 235 V CA -0.968 61.245 62.300 -0.146 0.000 1.015 235 V CB 1.622 33.452 31.823 0.012 0.000 1.050 235 V HN 0.435 nan 8.190 nan 0.000 0.433 236 V N 3.916 123.820 119.914 -0.016 0.000 2.383 236 V HA 0.533 4.653 4.120 0.000 0.000 0.275 236 V C -0.179 176.014 176.094 0.165 0.000 1.036 236 V CA -0.059 62.265 62.300 0.040 0.000 0.889 236 V CB 0.642 32.508 31.823 0.072 0.000 0.985 236 V HN 1.134 nan 8.190 nan 0.000 0.459 237 H N 4.285 123.360 119.070 0.008 0.000 2.856 237 H HA 0.291 4.847 4.556 0.000 0.000 0.355 237 H C -0.042 175.277 175.328 -0.015 0.000 1.079 237 H CA -0.413 55.642 56.048 0.011 0.000 1.240 237 H CB 1.584 31.343 29.762 -0.006 0.000 1.701 237 H HN 0.851 nan 8.280 nan 0.000 0.527 238 E N 2.938 122.839 120.200 -0.500 0.000 2.297 238 E HA -0.245 4.105 4.350 0.000 0.000 0.228 238 E C 0.805 177.314 176.600 -0.152 0.000 1.213 238 E CA 0.811 56.996 56.400 -0.359 0.000 0.712 238 E CB -1.361 28.080 29.700 -0.432 0.000 1.202 238 E HN 1.107 nan 8.360 nan 0.000 0.376 239 G N -0.110 108.636 108.800 -0.090 0.000 2.162 239 G HA2 -0.364 3.596 3.960 0.000 0.000 0.260 239 G HA3 -0.364 3.596 3.960 0.000 0.000 0.260 239 G C 0.100 174.985 174.900 -0.024 0.000 0.976 239 G CA 0.953 46.028 45.100 -0.042 0.000 0.655 239 G HN 0.285 nan 8.290 nan 0.000 0.533 240 K N 0.342 120.726 120.400 -0.025 0.000 2.371 240 K HA 0.447 4.767 4.320 0.000 0.000 0.251 240 K C -0.246 176.340 176.600 -0.023 0.000 0.934 240 K CA -0.793 55.481 56.287 -0.021 0.000 0.798 240 K CB 1.921 34.400 32.500 -0.035 0.000 1.204 240 K HN 0.270 nan 8.250 nan 0.000 0.427 241 E N 2.621 122.805 120.200 -0.027 0.000 2.376 241 E HA 0.060 4.410 4.350 0.000 0.000 0.266 241 E C -0.732 175.794 176.600 -0.123 0.000 1.009 241 E CA 0.403 56.743 56.400 -0.101 0.000 0.902 241 E CB 0.735 30.459 29.700 0.040 0.000 0.972 241 E HN 0.201 nan 8.360 nan 0.000 0.439 242 K N 2.609 122.890 120.400 -0.198 0.000 2.426 242 K HA 0.518 4.838 4.320 0.000 0.000 0.251 242 K C -0.701 175.860 176.600 -0.065 0.000 0.941 242 K CA -0.754 55.476 56.287 -0.095 0.000 0.808 242 K CB 1.898 34.372 32.500 -0.044 0.000 1.265 242 K HN 0.355 nan 8.250 nan 0.000 0.432 243 I N 3.797 124.436 120.570 0.115 0.000 2.355 243 I HA 0.352 4.522 4.170 0.000 0.000 0.288 243 I C -0.695 175.444 176.117 0.037 0.000 0.999 243 I CA -0.613 60.755 61.300 0.114 0.000 1.163 243 I CB 0.807 38.915 38.000 0.180 0.000 1.316 243 I HN 0.276 nan 8.210 nan 0.000 0.454 244 L N 5.347 126.548 121.223 -0.037 0.000 2.309 244 L HA 0.520 4.860 4.340 0.000 0.000 0.261 244 L C -0.798 176.002 176.870 -0.116 0.000 1.021 244 L CA -1.111 53.696 54.840 -0.055 0.000 0.823 244 L CB 1.531 43.589 42.059 -0.002 0.000 1.366 244 L HN 0.299 nan 8.230 nan 0.000 0.423 245 Y N 0.261 120.583 120.300 0.038 0.000 2.578 245 Y HA -0.015 4.535 4.550 0.000 0.000 0.339 245 Y C 1.327 177.260 175.900 0.054 0.000 1.231 245 Y CA 0.841 58.971 58.100 0.050 0.000 1.461 245 Y CB 0.777 39.264 38.460 0.045 0.000 1.323 245 Y HN 0.717 nan 8.280 nan 0.000 0.590 246 A N 3.728 126.694 122.820 0.244 0.000 1.892 246 A HA -0.234 4.086 4.320 0.000 0.000 0.218 246 A C 2.255 179.945 177.584 0.176 0.000 1.188 246 A CA 1.927 54.082 52.037 0.197 0.000 0.631 246 A CB -0.452 18.700 19.000 0.253 0.000 0.822 246 A HN 0.923 nan 8.150 nan 0.000 0.447 247 R N -0.459 120.147 120.500 0.177 0.000 2.096 247 R HA -0.138 4.202 4.340 0.000 0.000 0.235 247 R C 2.140 178.494 176.300 0.091 0.000 1.127 247 R CA 1.566 57.738 56.100 0.121 0.000 0.968 247 R CB -0.335 30.015 30.300 0.083 0.000 0.861 247 R HN 0.717 nan 8.270 nan 0.000 0.440 248 E N 0.770 121.032 120.200 0.103 0.000 2.051 248 E HA -0.111 4.239 4.350 0.000 0.000 0.192 248 E C 0.943 177.557 176.600 0.022 0.000 0.991 248 E CA 0.880 57.313 56.400 0.056 0.000 0.799 248 E CB -0.105 29.645 29.700 0.083 0.000 0.748 248 E HN 0.308 nan 8.360 nan 0.000 0.449 252 L N -0.653 120.479 121.223 -0.151 0.000 2.081 252 L HA -0.119 4.221 4.340 0.000 0.000 0.212 252 L C 1.716 178.230 176.870 -0.593 0.000 1.080 252 L CA 1.666 56.263 54.840 -0.404 0.000 0.754 252 L CB -0.384 41.313 42.059 -0.602 0.000 0.893 252 L HN 0.500 nan 8.230 nan 0.000 0.433 253 F N -1.238 118.618 119.950 -0.157 0.000 2.641 253 F HA 0.171 4.698 4.527 0.000 0.000 0.302 253 F C 1.040 176.720 175.800 -0.200 0.000 1.098 253 F CA -0.428 57.416 58.000 -0.259 0.000 1.318 253 F CB -0.425 38.292 39.000 -0.470 0.000 1.035 253 F HN 0.034 nan 8.300 nan 0.000 0.551 254 N N 1.650 120.338 118.700 -0.020 0.000 2.716 254 N HA -0.228 4.513 4.740 0.000 0.000 0.250 254 N C -0.783 174.755 175.510 0.047 0.000 1.033 254 N CA 0.402 53.457 53.050 0.008 0.000 0.727 254 N CB -1.145 37.342 38.487 0.001 0.000 0.950 254 N HN 0.299 nan 8.380 nan 0.000 0.541 255 L N 0.027 121.296 121.223 0.077 0.000 2.334 255 L HA 0.359 4.699 4.340 0.000 0.000 0.277 255 L C 0.877 177.812 176.870 0.108 0.000 1.075 255 L CA -0.616 54.294 54.840 0.116 0.000 0.804 255 L CB 1.366 43.534 42.059 0.182 0.000 1.174 255 L HN 0.233 nan 8.230 nan 0.000 0.438 256 E N 3.822 124.079 120.200 0.095 0.000 2.174 256 E HA 0.341 4.691 4.350 0.000 0.000 0.282 256 E C -2.297 174.350 176.600 0.078 0.000 0.992 256 E CA -1.820 54.624 56.400 0.074 0.000 0.803 256 E CB 1.203 30.934 29.700 0.052 0.000 1.090 256 E HN 0.299 nan 8.360 nan 0.000 0.396 257 P HA -0.050 nan 4.420 nan 0.000 0.265 257 P C -0.833 176.485 177.300 0.030 0.000 1.193 257 P CA -0.223 62.914 63.100 0.062 0.000 0.765 257 P CB 0.477 32.212 31.700 0.059 0.000 0.823 258 V N 1.309 121.228 119.914 0.009 0.000 2.785 258 V HA 0.418 4.538 4.120 0.000 0.000 0.300 258 V C -0.109 175.985 176.094 -0.000 0.000 1.062 258 V CA -0.613 61.686 62.300 -0.003 0.000 1.029 258 V CB 1.509 33.317 31.823 -0.024 0.000 1.024 258 V HN 0.196 nan 8.190 nan 0.000 0.477 259 V N 5.265 125.179 119.914 -0.001 0.000 2.347 259 V HA 0.376 4.496 4.120 0.000 0.000 0.280 259 V C 0.188 176.280 176.094 -0.003 0.000 1.021 259 V CA -0.501 61.799 62.300 -0.001 0.000 0.847 259 V CB 1.160 32.982 31.823 -0.001 0.000 0.990 259 V HN 0.785 nan 8.190 nan 0.000 0.444 260 L N 4.807 126.028 121.223 -0.003 0.000 2.367 260 L HA 0.514 4.854 4.340 0.000 0.000 0.275 260 L C 1.088 177.958 176.870 0.000 0.000 1.129 260 L CA 0.326 55.164 54.840 -0.003 0.000 0.839 260 L CB 0.558 42.615 42.059 -0.003 0.000 1.133 260 L HN 0.773 nan 8.230 nan 0.000 0.453 261 G N 3.174 111.975 108.800 0.002 0.000 2.795 261 G HA2 0.541 4.501 3.960 0.000 0.000 0.267 261 G HA3 0.541 4.501 3.960 0.000 0.000 0.267 261 G C -2.726 172.179 174.900 0.007 0.000 1.362 261 G CA -1.380 43.723 45.100 0.004 0.000 1.048 261 G HN 0.352 nan 8.290 nan 0.000 0.547 262 P HA 0.110 nan 4.420 nan 0.000 0.262 262 P C 0.155 177.467 177.300 0.020 0.000 1.182 262 P CA 0.489 63.596 63.100 0.012 0.000 0.761 262 P CB 1.036 32.740 31.700 0.007 0.000 0.795 263 K N 2.680 123.095 120.400 0.025 0.000 3.584 263 K HA -0.273 4.047 4.320 0.000 0.000 0.300 263 K C 0.884 177.499 176.600 0.026 0.000 1.285 263 K CA 2.192 58.498 56.287 0.032 0.000 1.008 263 K CB -2.169 30.357 32.500 0.043 0.000 1.271 263 K HN 0.549 nan 8.250 nan 0.000 0.447 264 E N -0.889 119.321 120.200 0.017 0.000 2.208 264 E HA -0.014 4.336 4.350 0.000 0.000 0.193 264 E C 1.950 178.552 176.600 0.004 0.000 0.988 264 E CA 0.805 57.211 56.400 0.010 0.000 0.828 264 E CB -0.200 29.502 29.700 0.003 0.000 0.763 264 E HN 0.569 nan 8.360 nan 0.000 0.478 265 G N 1.879 110.683 108.800 0.006 0.000 2.480 265 G HA2 -0.257 3.703 3.960 0.000 0.000 0.216 265 G HA3 -0.257 3.703 3.960 0.000 0.000 0.216 265 G C 1.590 176.491 174.900 0.001 0.000 1.200 265 G CA 0.538 45.639 45.100 0.001 0.000 0.782 265 G HN 0.089 nan 8.290 nan 0.000 0.554 266 L N 0.852 122.083 121.223 0.013 0.000 2.093 266 L HA 0.025 4.365 4.340 0.000 0.000 0.208 266 L C 3.187 180.069 176.870 0.019 0.000 1.085 266 L CA 0.840 55.689 54.840 0.014 0.000 0.755 266 L CB -0.694 41.382 42.059 0.028 0.000 0.904 266 L HN 0.351 nan 8.230 nan 0.000 0.435 267 G N 0.083 108.897 108.800 0.023 0.000 2.442 267 G HA2 -0.210 3.750 3.960 0.000 0.000 0.219 267 G HA3 -0.210 3.750 3.960 0.000 0.000 0.219 267 G C 1.618 176.526 174.900 0.014 0.000 1.141 267 G CA 0.622 45.737 45.100 0.025 0.000 0.763 267 G HN 0.252 nan 8.290 nan 0.000 0.554 268 L N 0.182 121.405 121.223 0.001 0.000 2.202 268 L HA 0.083 4.423 4.340 0.000 0.000 0.205 268 L C 2.870 179.735 176.870 -0.008 0.000 1.083 268 L CA 0.649 55.483 54.840 -0.009 0.000 0.790 268 L CB 0.036 42.081 42.059 -0.022 0.000 0.942 268 L HN 0.241 nan 8.230 nan 0.000 0.452 269 V N -3.922 115.984 119.914 -0.013 0.000 2.992 269 V HA 0.171 4.291 4.120 0.000 0.000 0.250 269 V C 0.698 176.780 176.094 -0.020 0.000 1.090 269 V CA 0.160 62.446 62.300 -0.023 0.000 1.101 269 V CB -0.418 31.376 31.823 -0.048 0.000 0.743 269 V HN 0.247 nan 8.190 nan 0.000 0.468 270 N N 1.812 120.506 118.700 -0.010 0.000 2.458 270 N HA 0.643 5.383 4.740 0.000 0.000 0.270 270 N C 0.192 175.744 175.510 0.071 0.000 1.102 270 N CA 1.317 54.366 53.050 -0.001 0.000 0.967 270 N CB 1.111 39.608 38.487 0.017 0.000 1.078 270 N HN 0.842 nan 8.380 nan 0.000 0.471 271 G N -0.309 108.559 108.800 0.113 0.000 2.369 271 G HA2 0.037 3.997 3.960 0.000 0.000 0.295 271 G HA3 0.037 3.997 3.960 0.000 0.000 0.295 271 G C -0.143 174.811 174.900 0.091 0.000 1.298 271 G CA -0.067 45.104 45.100 0.119 0.000 0.940 271 G HN 0.483 nan 8.290 nan 0.000 0.536 272 T N -2.637 111.955 114.554 0.063 0.000 3.132 272 T HA 0.584 4.934 4.350 0.000 0.000 0.274 272 T C 1.998 176.710 174.700 0.020 0.000 1.011 272 T CA 1.258 63.385 62.100 0.045 0.000 0.899 272 T CB 0.762 69.652 68.868 0.036 0.000 1.089 272 T HN 1.823 nan 8.240 nan 0.000 0.543 273 A N 1.280 124.109 122.820 0.015 0.000 1.972 273 A HA 0.103 4.423 4.320 0.000 0.000 0.219 273 A C 2.279 179.862 177.584 -0.001 0.000 1.169 273 A CA 1.565 53.604 52.037 0.002 0.000 0.635 273 A CB -0.840 18.160 19.000 -0.000 0.000 0.810 273 A HN 0.446 nan 8.150 nan 0.000 0.446 274 V N -0.658 119.258 119.914 0.004 0.000 2.346 274 V HA -0.163 3.957 4.120 0.000 0.000 0.244 274 V C 2.729 178.820 176.094 -0.005 0.000 1.037 274 V CA 2.060 64.359 62.300 -0.001 0.000 1.029 274 V CB -0.895 30.929 31.823 0.002 0.000 0.663 274 V HN 0.532 nan 8.190 nan 0.000 0.454 275 S N 0.678 116.378 115.700 0.001 0.000 2.359 275 S HA -0.262 4.208 4.470 0.000 0.000 0.223 275 S C 2.245 176.840 174.600 -0.007 0.000 1.039 275 S CA 1.777 59.977 58.200 -0.000 0.000 1.042 275 S CB -0.639 62.566 63.200 0.009 0.000 0.915 275 S HN 0.653 nan 8.310 nan 0.000 0.439 276 A N 0.971 123.786 122.820 -0.009 0.000 1.902 276 A HA -0.012 4.308 4.320 0.000 0.000 0.217 276 A C 1.625 179.194 177.584 -0.025 0.000 1.181 276 A CA 1.332 53.358 52.037 -0.019 0.000 0.623 276 A CB -0.833 18.155 19.000 -0.020 0.000 0.818 276 A HN 0.460 nan 8.150 nan 0.000 0.443 280 T N 1.435 115.971 114.554 -0.030 0.000 2.746 280 T HA -0.073 4.277 4.350 0.000 0.000 0.267 280 T C 1.859 176.560 174.700 0.001 0.000 1.039 280 T CA 1.790 63.872 62.100 -0.029 0.000 1.142 280 T CB -0.427 68.416 68.868 -0.042 0.000 0.866 280 T HN 0.342 nan 8.240 nan 0.000 0.444 281 L N 0.741 121.953 121.223 -0.019 0.000 2.046 281 L HA -0.094 4.246 4.340 0.000 0.000 0.208 281 L C 3.020 179.911 176.870 0.035 0.000 1.077 281 L CA 1.296 56.123 54.840 -0.023 0.000 0.747 281 L CB -0.645 41.384 42.059 -0.050 0.000 0.896 281 L HN 0.234 nan 8.230 nan 0.000 0.432 282 A N -0.260 122.568 122.820 0.013 0.000 1.930 282 A HA -0.188 4.132 4.320 0.000 0.000 0.217 282 A C 2.196 179.782 177.584 0.004 0.000 1.175 282 A CA 1.481 53.526 52.037 0.012 0.000 0.627 282 A CB -0.591 18.406 19.000 -0.005 0.000 0.815 282 A HN 0.312 nan 8.150 nan 0.000 0.443 283 L N -0.611 120.603 121.223 -0.014 0.000 2.056 283 L HA -0.159 4.181 4.340 0.000 0.000 0.207 283 L C 2.406 179.237 176.870 -0.064 0.000 1.078 283 L CA 2.579 57.361 54.840 -0.097 0.000 0.749 283 L CB -0.845 41.156 42.059 -0.096 0.000 0.901 283 L HN 0.652 nan 8.230 nan 0.000 0.433 284 H N -0.348 118.731 119.070 0.015 0.000 2.321 284 H HA -0.207 4.349 4.556 0.000 0.000 0.295 284 H C 1.516 176.893 175.328 0.081 0.000 1.102 284 H CA 2.323 58.445 56.048 0.124 0.000 1.266 284 H CB -0.037 29.775 29.762 0.083 0.000 1.363 284 H HN 0.401 nan 8.280 nan 0.000 0.492 285 D N 0.389 120.913 120.400 0.208 0.000 2.149 285 D HA -0.030 4.610 4.640 0.000 0.000 0.201 285 D C 2.331 178.643 176.300 0.021 0.000 0.972 285 D CA 1.195 55.266 54.000 0.118 0.000 0.835 285 D CB -0.509 40.362 40.800 0.118 0.000 0.966 285 D HN 0.502 nan 8.370 nan 0.000 0.476 286 A N 1.191 124.002 122.820 -0.015 0.000 1.933 286 A HA -0.144 4.176 4.320 0.000 0.000 0.218 286 A C 1.241 178.811 177.584 -0.024 0.000 1.175 286 A CA 0.989 53.000 52.037 -0.043 0.000 0.628 286 A CB -0.596 18.347 19.000 -0.095 0.000 0.814 286 A HN 0.231 nan 8.150 nan 0.000 0.444 290 S N 0.713 116.443 115.700 0.051 0.000 2.368 290 S HA -0.052 4.418 4.470 0.000 0.000 0.225 290 S C 1.836 176.462 174.600 0.042 0.000 1.030 290 S CA 1.448 59.684 58.200 0.061 0.000 0.999 290 S CB -0.065 63.182 63.200 0.077 0.000 0.844 290 S HN 0.322 nan 8.310 nan 0.000 0.459 291 L N 0.732 121.968 121.223 0.023 0.000 2.093 291 L HA -0.038 4.302 4.340 0.000 0.000 0.208 291 L C 2.502 179.367 176.870 -0.009 0.000 1.085 291 L CA 0.865 55.702 54.840 -0.005 0.000 0.755 291 L CB -0.554 41.488 42.059 -0.029 0.000 0.904 291 L HN 0.363 nan 8.230 nan 0.000 0.435 292 L N -0.633 120.589 121.223 -0.002 0.000 2.083 292 L HA -0.186 4.154 4.340 0.000 0.000 0.209 292 L C 2.702 179.573 176.870 0.002 0.000 1.083 292 L CA 1.819 56.657 54.840 -0.004 0.000 0.752 292 L CB -0.575 41.489 42.059 0.009 0.000 0.899 292 L HN 0.140 nan 8.230 nan 0.000 0.433 293 S N -1.152 114.568 115.700 0.033 0.000 2.370 293 S HA -0.254 4.216 4.470 0.000 0.000 0.226 293 S C 1.957 176.578 174.600 0.036 0.000 1.033 293 S CA 1.682 59.919 58.200 0.061 0.000 1.011 293 S CB -0.194 63.068 63.200 0.103 0.000 0.852 293 S HN 0.697 nan 8.310 nan 0.000 0.457 294 Q N 0.212 120.022 119.800 0.016 0.000 2.079 294 Q HA -0.027 4.313 4.340 0.000 0.000 0.200 294 Q C 2.533 178.500 176.000 -0.055 0.000 0.974 294 Q CA 1.680 57.473 55.803 -0.016 0.000 0.840 294 Q CB -0.252 28.471 28.738 -0.025 0.000 0.898 294 Q HN 0.516 nan 8.270 nan 0.000 0.430 295 S N 1.093 116.763 115.700 -0.050 0.000 2.370 295 S HA -0.120 4.351 4.470 0.000 0.000 0.226 295 S C 1.949 176.503 174.600 -0.076 0.000 1.033 295 S CA 0.979 59.144 58.200 -0.058 0.000 1.011 295 S CB -0.224 62.950 63.200 -0.043 0.000 0.852 295 S HN 0.267 nan 8.310 nan 0.000 0.457 296 L N 0.981 122.140 121.223 -0.106 0.000 2.093 296 L HA -0.110 4.230 4.340 0.000 0.000 0.208 296 L C 2.662 179.456 176.870 -0.126 0.000 1.085 296 L CA 1.077 55.783 54.840 -0.224 0.000 0.755 296 L CB -1.088 40.724 42.059 -0.411 0.000 0.904 296 L HN 0.310 nan 8.230 nan 0.000 0.435 297 T N 0.146 114.681 114.554 -0.031 0.000 2.652 297 T HA -0.135 4.215 4.350 0.000 0.000 0.267 297 T C 1.176 175.863 174.700 -0.021 0.000 1.039 297 T CA 1.002 63.117 62.100 0.025 0.000 1.153 297 T CB -0.278 68.611 68.868 0.035 0.000 0.863 297 T HN 0.434 nan 8.240 nan 0.000 0.428 301 V N 2.384 122.322 119.914 0.041 0.000 2.332 301 V HA -0.184 3.936 4.120 0.000 0.000 0.248 301 V C 2.428 178.528 176.094 0.010 0.000 1.055 301 V CA 2.292 64.630 62.300 0.064 0.000 1.038 301 V CB -0.532 31.372 31.823 0.135 0.000 0.651 301 V HN 0.535 nan 8.190 nan 0.000 0.450 302 E N 0.344 120.538 120.200 -0.009 0.000 2.051 302 E HA -0.056 4.294 4.350 0.000 0.000 0.192 302 E C 1.422 177.841 176.600 -0.302 0.000 0.991 302 E CA 0.934 57.310 56.400 -0.040 0.000 0.799 302 E CB -0.234 29.487 29.700 0.034 0.000 0.748 302 E HN 0.646 nan 8.360 nan 0.000 0.449 306 G N -0.821 107.939 108.800 -0.066 0.000 2.510 306 G HA2 0.527 4.487 3.960 0.000 0.000 0.280 306 G HA3 0.527 4.487 3.960 0.000 0.000 0.280 306 G C -0.726 174.082 174.900 -0.153 0.000 1.386 306 G CA -0.493 44.542 45.100 -0.108 0.000 1.047 306 G HN 0.552 nan 8.290 nan 0.000 0.527 307 H N -0.681 118.435 119.070 0.078 0.000 2.594 307 H HA 0.454 5.010 4.556 0.000 0.000 0.304 307 H C 1.135 176.544 175.328 0.136 0.000 1.068 307 H CA 0.185 56.276 56.048 0.072 0.000 1.308 307 H CB 1.822 31.613 29.762 0.049 0.000 1.409 307 H HN 0.488 nan 8.280 nan 0.000 0.460 308 A N 3.269 126.218 122.820 0.214 0.000 2.119 308 A HA -0.057 4.263 4.320 0.000 0.000 0.217 308 A C 2.514 180.320 177.584 0.369 0.000 1.153 308 A CA 1.180 53.416 52.037 0.332 0.000 0.692 308 A CB -0.709 18.367 19.000 0.127 0.000 0.799 308 A HN 0.874 nan 8.150 nan 0.000 0.458 309 G N -0.368 108.595 108.800 0.272 0.000 2.462 309 G HA2 -0.180 3.780 3.960 0.000 0.000 0.220 309 G HA3 -0.180 3.780 3.960 0.000 0.000 0.220 309 G C 1.634 176.560 174.900 0.044 0.000 1.121 309 G CA 1.185 46.411 45.100 0.209 0.000 0.758 309 G HN 0.484 nan 8.290 nan 0.000 0.559 310 S N 0.350 115.949 115.700 -0.169 0.000 2.440 310 S HA -0.064 4.407 4.470 0.000 0.000 0.238 310 S C 1.287 175.598 174.600 -0.482 0.000 1.010 310 S CA 0.871 58.775 58.200 -0.493 0.000 0.972 310 S CB -0.276 62.398 63.200 -0.876 0.000 0.774 310 S HN 0.439 nan 8.310 nan 0.000 0.501 311 F N -0.147 119.959 119.950 0.260 0.000 2.639 311 F HA 0.298 4.825 4.527 0.000 0.000 0.302 311 F C 0.981 176.937 175.800 0.260 0.000 1.097 311 F CA -0.843 57.294 58.000 0.228 0.000 1.294 311 F CB -0.296 38.761 39.000 0.096 0.000 1.027 311 F HN 0.182 nan 8.300 nan 0.000 0.550 312 H N 3.730 122.953 119.070 0.254 0.000 2.928 312 H HA 0.026 4.582 4.556 0.000 0.000 0.338 312 H C -1.631 173.845 175.328 0.247 0.000 1.047 312 H CA -1.074 55.084 56.048 0.184 0.000 1.435 312 H CB 1.495 31.266 29.762 0.015 0.000 1.428 312 H HN -0.062 nan 8.280 nan 0.000 0.590 313 P HA -0.191 nan 4.420 nan 0.000 0.218 313 P C 1.461 178.922 177.300 0.269 0.000 1.146 313 P CA 0.984 64.181 63.100 0.161 0.000 0.813 313 P CB -0.212 31.502 31.700 0.023 0.000 0.778 314 F N 0.235 120.395 119.950 0.350 0.000 2.202 314 F HA -0.130 4.397 4.527 0.000 0.000 0.301 314 F C 1.817 177.613 175.800 -0.006 0.000 1.082 314 F CA 1.364 59.451 58.000 0.145 0.000 1.313 314 F CB -0.719 38.314 39.000 0.054 0.000 1.024 314 F HN -0.226 nan 8.300 nan 0.000 0.495 315 L N -1.001 120.193 121.223 -0.048 0.000 2.552 315 L HA -0.069 4.271 4.340 0.000 0.000 0.227 315 L C 1.611 178.004 176.870 -0.795 0.000 1.146 315 L CA 0.313 54.896 54.840 -0.428 0.000 0.858 315 L CB -0.429 41.366 42.059 -0.439 0.000 0.969 315 L HN 0.284 nan 8.230 nan 0.000 0.451 316 H N -1.968 117.072 119.070 -0.049 0.000 2.286 316 H HA 0.091 4.647 4.556 0.000 0.000 0.163 316 H C 1.195 176.488 175.328 -0.058 0.000 1.015 316 H CA 0.236 56.268 56.048 -0.027 0.000 1.107 316 H CB -0.250 29.533 29.762 0.035 0.000 1.050 316 H HN 0.044 nan 8.280 nan 0.000 0.360 317 D N 1.380 121.845 120.400 0.108 0.000 2.133 317 D HA -0.122 4.518 4.640 0.000 0.000 0.195 317 D C 2.126 178.398 176.300 -0.046 0.000 0.997 317 D CA 1.359 55.379 54.000 0.033 0.000 0.840 317 D CB -0.027 40.803 40.800 0.050 0.000 0.947 317 D HN 0.057 nan 8.370 nan 0.000 0.452 318 V N 0.122 119.961 119.914 -0.124 0.000 2.374 318 V HA -0.110 4.010 4.120 0.000 0.000 0.241 318 V C 2.490 178.409 176.094 -0.292 0.000 1.034 318 V CA 1.949 64.124 62.300 -0.208 0.000 1.037 318 V CB -0.587 31.049 31.823 -0.312 0.000 0.682 318 V HN 0.384 nan 8.190 nan 0.000 0.463 319 T N -1.845 112.462 114.554 -0.412 0.000 3.044 319 T HA 0.051 4.401 4.350 0.000 0.000 0.255 319 T C 1.200 175.765 174.700 -0.226 0.000 1.073 319 T CA 0.346 62.218 62.100 -0.380 0.000 1.125 319 T CB 0.121 68.683 68.868 -0.510 0.000 0.908 319 T HN 0.331 nan 8.240 nan 0.000 0.480 320 R N 1.903 122.296 120.500 -0.178 0.000 2.818 320 R HA 0.272 4.612 4.340 0.000 0.000 0.258 320 R C -2.951 173.288 176.300 -0.100 0.000 1.797 320 R CA -1.367 54.657 56.100 -0.126 0.000 1.532 320 R CB 1.308 31.576 30.300 -0.054 0.000 1.413 320 R HN 0.082 nan 8.270 nan 0.000 0.622 321 P HA 0.077 nan 4.420 nan 0.000 0.220 321 P C -0.800 176.438 177.300 -0.103 0.000 1.778 321 P CA -0.199 62.844 63.100 -0.094 0.000 0.912 321 P CB -0.172 31.474 31.700 -0.090 0.000 1.861 322 H N 1.503 120.581 119.070 0.015 0.000 2.899 322 H HA 0.071 4.627 4.556 0.000 0.000 0.303 322 H C -1.353 173.987 175.328 0.020 0.000 1.042 322 H CA -1.202 54.855 56.048 0.014 0.000 1.479 322 H CB 0.485 30.258 29.762 0.017 0.000 1.493 322 H HN 0.122 nan 8.280 nan 0.000 0.534 323 P HA -0.173 nan 4.420 nan 0.000 0.216 323 P C 1.539 178.879 177.300 0.067 0.000 1.153 323 P CA 2.096 65.240 63.100 0.073 0.000 0.858 323 P CB 0.208 31.940 31.700 0.054 0.000 0.789 324 T N -4.104 110.494 114.554 0.073 0.000 3.043 324 T HA -0.069 4.281 4.350 0.000 0.000 0.263 324 T C 1.921 176.650 174.700 0.047 0.000 1.094 324 T CA 0.498 62.624 62.100 0.044 0.000 1.127 324 T CB -0.665 68.220 68.868 0.029 0.000 0.905 324 T HN 0.143 nan 8.240 nan 0.000 0.490 325 Q N 0.813 120.664 119.800 0.087 0.000 2.046 325 Q HA -0.019 4.321 4.340 0.000 0.000 0.200 325 Q C 2.246 178.270 176.000 0.039 0.000 0.975 325 Q CA 1.326 57.186 55.803 0.095 0.000 0.836 325 Q CB -0.363 28.494 28.738 0.198 0.000 0.896 325 Q HN 0.611 nan 8.270 nan 0.000 0.428 326 I N 0.913 121.527 120.570 0.073 0.000 2.151 326 I HA -0.329 3.841 4.170 0.000 0.000 0.243 326 I C 2.540 178.653 176.117 -0.006 0.000 1.080 326 I CA 1.754 63.080 61.300 0.043 0.000 1.339 326 I CB -0.450 37.584 38.000 0.058 0.000 1.039 326 I HN 0.431 nan 8.210 nan 0.000 0.409 327 E N 0.961 121.163 120.200 0.004 0.000 2.038 327 E HA -0.213 4.137 4.350 0.000 0.000 0.195 327 E C 2.291 178.876 176.600 -0.025 0.000 1.000 327 E CA 1.944 58.339 56.400 -0.009 0.000 0.803 327 E CB 0.064 29.763 29.700 -0.003 0.000 0.750 327 E HN 0.277 nan 8.360 nan 0.000 0.448 328 V N 1.322 121.224 119.914 -0.021 0.000 2.307 328 V HA -0.244 3.877 4.120 0.000 0.000 0.245 328 V C 2.536 178.600 176.094 -0.050 0.000 1.045 328 V CA 1.782 64.070 62.300 -0.020 0.000 1.024 328 V CB -0.858 30.977 31.823 0.019 0.000 0.651 328 V HN 0.482 nan 8.190 nan 0.000 0.449 329 A N 0.607 123.363 122.820 -0.106 0.000 1.908 329 A HA -0.139 4.181 4.320 0.000 0.000 0.218 329 A C 2.412 179.971 177.584 -0.041 0.000 1.181 329 A CA 2.097 54.062 52.037 -0.120 0.000 0.627 329 A CB -1.244 17.366 19.000 -0.649 0.000 0.818 329 A HN 0.540 nan 8.150 nan 0.000 0.445 330 G N -0.184 108.586 108.800 -0.049 0.000 2.418 330 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 330 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 330 G C 1.422 176.298 174.900 -0.041 0.000 1.158 330 G CA 1.040 46.126 45.100 -0.024 0.000 0.771 330 G HN 0.529 nan 8.290 nan 0.000 0.545 331 N N 0.794 119.459 118.700 -0.058 0.000 2.084 331 N HA -0.058 4.682 4.740 0.000 0.000 0.190 331 N C 2.233 177.675 175.510 -0.113 0.000 1.030 331 N CA 0.949 53.957 53.050 -0.070 0.000 0.849 331 N CB -0.304 38.144 38.487 -0.064 0.000 1.012 331 N HN 0.362 nan 8.380 nan 0.000 0.423 332 I N 0.698 121.154 120.570 -0.190 0.000 2.315 332 I HA -0.173 3.997 4.170 0.000 0.000 0.248 332 I C 2.582 178.515 176.117 -0.307 0.000 1.117 332 I CA 0.622 61.699 61.300 -0.371 0.000 1.404 332 I CB -0.176 37.359 38.000 -0.775 0.000 1.071 332 I HN 0.085 nan 8.210 nan 0.000 0.419 333 R N 1.680 122.091 120.500 -0.149 0.000 2.096 333 R HA -0.274 4.066 4.340 0.000 0.000 0.240 333 R C 2.315 178.623 176.300 0.013 0.000 1.139 333 R CA 2.146 58.255 56.100 0.016 0.000 0.952 333 R CB -0.174 30.177 30.300 0.086 0.000 0.854 333 R HN 0.176 nan 8.270 nan 0.000 0.436 334 K N 0.423 120.814 120.400 -0.016 0.000 2.032 334 K HA -0.135 4.185 4.320 0.000 0.000 0.209 334 K C 2.061 178.658 176.600 -0.005 0.000 1.048 334 K CA 1.693 57.975 56.287 -0.008 0.000 0.927 334 K CB -0.197 32.290 32.500 -0.021 0.000 0.712 334 K HN 0.229 nan 8.250 nan 0.000 0.441 335 L N 0.595 121.798 121.223 -0.033 0.000 2.083 335 L HA -0.151 4.189 4.340 0.000 0.000 0.209 335 L C 2.195 179.074 176.870 0.015 0.000 1.083 335 L CA 0.956 55.782 54.840 -0.023 0.000 0.752 335 L CB -0.300 41.724 42.059 -0.059 0.000 0.899 335 L HN 0.241 nan 8.230 nan 0.000 0.433 336 L N -0.972 120.267 121.223 0.026 0.000 2.492 336 L HA 0.008 4.348 4.340 0.000 0.000 0.223 336 L C 0.872 177.884 176.870 0.237 0.000 1.132 336 L CA -0.036 54.874 54.840 0.116 0.000 0.850 336 L CB -0.241 41.881 42.059 0.105 0.000 0.966 336 L HN 0.190 nan 8.230 nan 0.000 0.454 337 E N 0.804 121.098 120.200 0.156 0.000 2.465 337 E HA 0.050 4.400 4.350 0.000 0.000 0.260 337 E C 1.083 177.727 176.600 0.073 0.000 0.980 337 E CA 0.813 57.278 56.400 0.108 0.000 0.927 337 E CB 0.520 30.245 29.700 0.043 0.000 0.934 337 E HN 0.352 nan 8.360 nan 0.000 0.459 338 G N 3.014 111.812 108.800 -0.004 0.000 2.199 338 G HA2 -0.323 3.637 3.960 0.000 0.000 0.254 338 G HA3 -0.323 3.637 3.960 0.000 0.000 0.254 338 G C 0.515 175.471 174.900 0.093 0.000 0.982 338 G CA 0.425 45.525 45.100 0.001 0.000 0.632 338 G HN 0.555 nan 8.290 nan 0.000 0.529 339 S N -0.072 115.768 115.700 0.232 0.000 2.549 339 S HA 0.417 4.887 4.470 0.000 0.000 0.286 339 S C 1.488 176.273 174.600 0.308 0.000 1.314 339 S CA 0.393 58.754 58.200 0.269 0.000 1.062 339 S CB 0.452 63.828 63.200 0.294 0.000 0.865 339 S HN 0.450 nan 8.310 nan 0.000 0.498 340 R N 2.936 123.538 120.500 0.169 0.000 2.393 340 R HA 0.182 4.522 4.340 0.000 0.000 0.244 340 R C 0.359 176.779 176.300 0.200 0.000 0.920 340 R CA 0.164 56.370 56.100 0.177 0.000 1.076 340 R CB 0.138 30.545 30.300 0.178 0.000 1.119 340 R HN 0.573 nan 8.270 nan 0.000 0.524 341 F N 0.905 121.004 119.950 0.249 0.000 2.315 341 F HA 0.278 4.805 4.527 0.000 0.000 0.284 341 F C 1.476 177.329 175.800 0.088 0.000 1.049 341 F CA -0.311 57.792 58.000 0.172 0.000 1.323 341 F CB -0.487 38.524 39.000 0.019 0.000 1.113 341 F HN -0.126 nan 8.300 nan 0.000 0.544 342 A N 0.918 123.877 122.820 0.231 0.000 2.462 342 A HA 0.431 4.751 4.320 0.000 0.000 0.243 342 A C -0.239 177.258 177.584 -0.145 0.000 1.076 342 A CA -0.312 51.729 52.037 0.006 0.000 0.773 342 A CB -0.013 18.953 19.000 -0.058 0.000 1.010 342 A HN -0.012 nan 8.150 nan 0.000 0.493 343 V N 4.557 124.377 119.914 -0.157 0.000 2.461 343 V HA 0.186 4.306 4.120 0.000 0.000 0.275 343 V C 0.198 176.199 176.094 -0.155 0.000 1.047 343 V CA -0.265 61.966 62.300 -0.114 0.000 0.955 343 V CB 0.465 32.225 31.823 -0.104 0.000 0.988 343 V HN 0.852 nan 8.190 nan 0.000 0.471 344 H N 3.490 122.647 119.070 0.145 0.000 2.473 344 H HA 0.198 4.754 4.556 0.000 0.000 0.327 344 H C 0.834 176.274 175.328 0.185 0.000 1.105 344 H CA -0.170 55.984 56.048 0.178 0.000 1.280 344 H CB 1.565 31.410 29.762 0.138 0.000 1.450 344 H HN 0.862 nan 8.280 nan 0.000 0.492 345 H N 3.115 122.341 119.070 0.260 0.000 2.352 345 H HA -0.155 4.401 4.556 0.000 0.000 0.299 345 H C 1.839 177.255 175.328 0.147 0.000 1.097 345 H CA 2.294 58.451 56.048 0.180 0.000 1.311 345 H CB 0.450 30.323 29.762 0.184 0.000 1.377 345 H HN 0.724 nan 8.280 nan 0.000 0.504 346 E N 0.655 120.935 120.200 0.132 0.000 2.338 346 E HA -0.177 4.173 4.350 0.000 0.000 0.197 346 E C 1.455 178.050 176.600 -0.009 0.000 1.007 346 E CA 1.404 57.821 56.400 0.029 0.000 0.849 346 E CB -0.107 29.669 29.700 0.127 0.000 0.774 346 E HN 0.764 nan 8.360 nan 0.000 0.506 347 E N 0.972 121.200 120.200 0.047 0.000 2.102 347 E HA -0.033 4.317 4.350 0.000 0.000 0.190 347 E C 1.986 178.583 176.600 -0.006 0.000 0.971 347 E CA 0.553 56.974 56.400 0.034 0.000 0.821 347 E CB 0.060 29.814 29.700 0.090 0.000 0.777 347 E HN 0.344 nan 8.360 nan 0.000 0.460 348 E N 0.822 121.017 120.200 -0.010 0.000 2.118 348 E HA -0.179 4.171 4.350 0.000 0.000 0.195 348 E C 2.319 178.864 176.600 -0.092 0.000 0.992 348 E CA 1.605 57.990 56.400 -0.025 0.000 0.804 348 E CB -0.189 29.519 29.700 0.014 0.000 0.741 348 E HN 0.234 nan 8.360 nan 0.000 0.458 349 V N -0.194 119.595 119.914 -0.208 0.000 2.867 349 V HA -0.160 3.960 4.120 0.000 0.000 0.260 349 V C 0.790 176.823 176.094 -0.103 0.000 1.099 349 V CA 1.120 63.298 62.300 -0.204 0.000 1.122 349 V CB -0.642 30.997 31.823 -0.307 0.000 0.708 349 V HN 0.032 nan 8.190 nan 0.000 0.490 355 E N 0.114 120.319 120.200 0.008 0.000 2.639 355 E HA 0.370 4.720 4.350 0.000 0.000 0.225 355 E C 0.954 177.558 176.600 0.007 0.000 0.921 355 E CA -0.037 56.369 56.400 0.010 0.000 1.184 355 E CB 1.315 31.021 29.700 0.011 0.000 1.160 355 E HN 0.250 nan 8.360 nan 0.000 0.547 356 G N 2.675 111.478 108.800 0.004 0.000 2.256 356 G HA2 -0.282 3.678 3.960 0.000 0.000 0.272 356 G HA3 -0.282 3.678 3.960 0.000 0.000 0.272 356 G C 0.114 175.016 174.900 0.002 0.000 1.076 356 G CA -0.038 45.063 45.100 0.002 0.000 0.882 356 G HN 0.241 nan 8.290 nan 0.000 0.497 357 I N 0.016 120.589 120.570 0.005 0.000 2.587 357 I HA 0.137 4.307 4.170 0.000 0.000 0.284 357 I C 1.089 177.212 176.117 0.010 0.000 1.134 357 I CA -0.276 61.028 61.300 0.007 0.000 1.410 357 I CB 0.914 38.919 38.000 0.008 0.000 1.392 357 I HN 0.215 nan 8.210 nan 0.000 0.545 358 L N 8.379 129.609 121.223 0.011 0.000 2.312 358 L HA 0.219 4.559 4.340 0.000 0.000 0.287 358 L C 1.139 178.033 176.870 0.040 0.000 1.091 358 L CA 0.189 55.040 54.840 0.018 0.000 0.846 358 L CB -0.164 41.900 42.059 0.008 0.000 1.219 358 L HN 0.554 nan 8.230 nan 0.000 0.439 359 R N 1.947 122.475 120.500 0.046 0.000 2.237 359 R HA 0.162 4.502 4.340 0.000 0.000 0.195 359 R C 0.300 176.671 176.300 0.117 0.000 0.956 359 R CA 0.096 56.245 56.100 0.080 0.000 1.029 359 R CB 0.230 30.558 30.300 0.047 0.000 0.972 359 R HN 0.622 nan 8.270 nan 0.000 0.493 360 Q N 0.806 120.638 119.800 0.053 0.000 2.221 360 Q HA 0.103 4.443 4.340 0.000 0.000 0.242 360 Q C -0.854 175.212 176.000 0.111 0.000 0.940 360 Q CA -0.678 55.134 55.803 0.015 0.000 0.896 360 Q CB 1.227 29.957 28.738 -0.014 0.000 1.226 360 Q HN -0.025 nan 8.270 nan 0.000 0.463 361 D N 1.141 121.630 120.400 0.148 0.000 2.362 361 D HA 0.118 4.758 4.640 0.000 0.000 0.242 361 D C 0.042 176.411 176.300 0.115 0.000 1.132 361 D CA 0.205 54.295 54.000 0.151 0.000 0.907 361 D CB 0.749 41.657 40.800 0.181 0.000 1.195 361 D HN 0.264 nan 8.370 nan 0.000 0.429 362 R N 0.645 121.198 120.500 0.089 0.000 2.574 362 R HA 0.129 4.470 4.340 0.000 0.000 0.266 362 R C 0.995 177.414 176.300 0.198 0.000 1.157 362 R CA -0.565 55.587 56.100 0.087 0.000 1.187 362 R CB 0.173 30.462 30.300 -0.018 0.000 1.179 362 R HN 0.434 nan 8.270 nan 0.000 0.600 363 Y N 0.366 120.638 120.300 -0.047 0.000 2.293 363 Y HA -0.029 4.521 4.550 0.000 0.000 0.291 363 Y C -0.805 175.046 175.900 -0.081 0.000 1.137 363 Y CA 0.374 58.440 58.100 -0.056 0.000 1.202 363 Y CB -1.625 36.792 38.460 -0.071 0.000 0.990 363 Y HN 0.498 nan 8.280 nan 0.000 0.537 364 P HA -0.169 nan 4.420 nan 0.000 0.217 364 P C 1.585 178.911 177.300 0.043 0.000 1.148 364 P CA 1.640 64.717 63.100 -0.039 0.000 0.828 364 P CB -0.004 31.648 31.700 -0.080 0.000 0.783 365 L N -1.844 119.435 121.223 0.093 0.000 2.189 365 L HA 0.120 4.460 4.340 0.000 0.000 0.199 365 L C 2.668 179.629 176.870 0.151 0.000 1.074 365 L CA 0.647 55.589 54.840 0.169 0.000 0.783 365 L CB -0.463 41.696 42.059 0.166 0.000 0.955 365 L HN -0.225 nan 8.230 nan 0.000 0.460 366 R N 0.330 120.874 120.500 0.073 0.000 2.148 366 R HA -0.111 4.229 4.340 0.000 0.000 0.223 366 R C 1.667 177.934 176.300 -0.054 0.000 1.088 366 R CA 1.673 57.750 56.100 -0.038 0.000 0.985 366 R CB 0.028 30.322 30.300 -0.010 0.000 0.880 366 R HN 0.397 nan 8.270 nan 0.000 0.451 367 T N -2.251 112.301 114.554 -0.002 0.000 3.134 367 T HA 0.101 4.451 4.350 0.000 0.000 0.260 367 T C 1.433 176.225 174.700 0.155 0.000 1.027 367 T CA 0.186 62.295 62.100 0.014 0.000 0.913 367 T CB 0.463 69.277 68.868 -0.091 0.000 1.046 367 T HN 0.240 nan 8.240 nan 0.000 0.553 368 S N 2.521 118.337 115.700 0.193 0.000 2.370 368 S HA -0.026 4.444 4.470 0.000 0.000 0.226 368 S C -0.656 174.117 174.600 0.288 0.000 1.033 368 S CA 0.913 59.272 58.200 0.266 0.000 1.011 368 S CB -1.774 61.597 63.200 0.285 0.000 0.852 368 S HN 0.436 nan 8.310 nan 0.000 0.457 369 P HA -0.004 nan 4.420 nan 0.000 0.217 369 P C 1.363 178.770 177.300 0.178 0.000 1.150 369 P CA 1.205 64.414 63.100 0.181 0.000 0.832 369 P CB -0.167 31.571 31.700 0.064 0.000 0.787 370 Q N -2.003 117.923 119.800 0.210 0.000 2.224 370 Q HA -0.117 4.223 4.340 0.000 0.000 0.203 370 Q C 1.947 178.051 176.000 0.173 0.000 0.970 370 Q CA 1.167 57.068 55.803 0.164 0.000 0.865 370 Q CB -0.751 28.070 28.738 0.138 0.000 0.922 370 Q HN 0.418 nan 8.270 nan 0.000 0.445 371 W N -0.110 121.213 121.300 0.038 0.000 2.481 371 W HA 0.026 4.686 4.660 0.000 0.000 0.293 371 W C 1.105 177.644 176.519 0.033 0.000 1.201 371 W CA 0.830 58.197 57.345 0.036 0.000 1.328 371 W CB 0.113 29.611 29.460 0.062 0.000 1.112 371 W HN 0.154 nan 8.180 nan 0.000 0.546 372 L N 0.182 121.554 121.223 0.247 0.000 2.209 372 L HA 0.039 4.379 4.340 0.000 0.000 0.207 372 L C 2.749 179.638 176.870 0.032 0.000 1.094 372 L CA 1.003 55.923 54.840 0.133 0.000 0.790 372 L CB -1.321 40.841 42.059 0.172 0.000 0.932 372 L HN -0.039 nan 8.230 nan 0.000 0.447 373 G N 1.258 110.076 108.800 0.030 0.000 2.491 373 G HA2 -0.223 3.738 3.960 0.000 0.000 0.218 373 G HA3 -0.223 3.738 3.960 0.000 0.000 0.218 373 G C -0.743 174.125 174.900 -0.054 0.000 1.180 373 G CA 0.823 45.922 45.100 -0.001 0.000 0.774 373 G HN 0.302 nan 8.290 nan 0.000 0.562 374 P HA -0.062 nan 4.420 nan 0.000 0.215 374 P C 2.126 179.359 177.300 -0.112 0.000 1.153 374 P CA 1.271 64.281 63.100 -0.150 0.000 0.853 374 P CB -0.229 31.340 31.700 -0.218 0.000 0.788 375 L N -3.537 117.618 121.223 -0.113 0.000 2.217 375 L HA -0.020 4.320 4.340 0.000 0.000 0.211 375 L C 2.014 178.872 176.870 -0.020 0.000 1.107 375 L CA 1.537 56.330 54.840 -0.077 0.000 0.783 375 L CB -1.805 40.204 42.059 -0.083 0.000 0.919 375 L HN -0.225 nan 8.230 nan 0.000 0.442 376 V N -0.324 119.589 119.914 -0.001 0.000 2.427 376 V HA -0.237 3.884 4.120 0.000 0.000 0.248 376 V C 2.885 179.005 176.094 0.043 0.000 1.051 376 V CA 1.861 64.182 62.300 0.035 0.000 1.048 376 V CB -0.551 31.294 31.823 0.036 0.000 0.666 376 V HN 0.687 nan 8.190 nan 0.000 0.456 377 S N -0.310 115.401 115.700 0.019 0.000 2.383 377 S HA -0.238 4.232 4.470 0.000 0.000 0.229 377 S C 1.751 176.386 174.600 0.058 0.000 1.030 377 S CA 1.825 60.046 58.200 0.035 0.000 1.002 377 S CB -0.409 62.797 63.200 0.009 0.000 0.829 377 S HN 0.642 nan 8.310 nan 0.000 0.467 378 D N 1.127 121.538 120.400 0.017 0.000 2.117 378 D HA -0.026 4.614 4.640 0.000 0.000 0.197 378 D C 1.924 178.272 176.300 0.080 0.000 0.987 378 D CA 0.863 54.873 54.000 0.017 0.000 0.829 378 D CB -0.369 40.408 40.800 -0.038 0.000 0.961 378 D HN 0.390 nan 8.370 nan 0.000 0.460 379 L N 0.343 121.609 121.223 0.073 0.000 2.093 379 L HA -0.089 4.251 4.340 0.000 0.000 0.208 379 L C 2.457 179.462 176.870 0.226 0.000 1.085 379 L CA 0.612 55.508 54.840 0.093 0.000 0.755 379 L CB -0.249 41.853 42.059 0.072 0.000 0.904 379 L HN 0.018 nan 8.230 nan 0.000 0.435 380 I N -1.132 119.563 120.570 0.209 0.000 2.286 380 I HA -0.322 3.848 4.170 0.000 0.000 0.248 380 I C 2.694 178.928 176.117 0.194 0.000 1.115 380 I CA 1.105 62.518 61.300 0.189 0.000 1.392 380 I CB -0.589 37.468 38.000 0.096 0.000 1.065 380 I HN 0.372 nan 8.210 nan 0.000 0.418 381 H N 1.642 120.761 119.070 0.082 0.000 2.321 381 H HA -0.163 4.393 4.556 0.000 0.000 0.300 381 H C 2.238 177.609 175.328 0.071 0.000 1.087 381 H CA 1.944 58.029 56.048 0.062 0.000 1.319 381 H CB 0.163 29.943 29.762 0.031 0.000 1.379 381 H HN 0.319 nan 8.280 nan 0.000 0.501 382 A N 0.127 123.090 122.820 0.239 0.000 1.940 382 A HA -0.253 4.067 4.320 0.000 0.000 0.219 382 A C 2.259 179.894 177.584 0.085 0.000 1.176 382 A CA 1.971 54.092 52.037 0.140 0.000 0.631 382 A CB -1.114 17.940 19.000 0.090 0.000 0.814 382 A HN 0.668 nan 8.150 nan 0.000 0.446 383 H N -0.442 118.672 119.070 0.073 0.000 2.353 383 H HA 0.011 4.567 4.556 0.000 0.000 0.300 383 H C 2.287 177.625 175.328 0.018 0.000 1.090 383 H CA 1.914 58.017 56.048 0.092 0.000 1.327 383 H CB -0.125 29.739 29.762 0.170 0.000 1.383 383 H HN 0.447 nan 8.280 nan 0.000 0.508 384 A N -0.255 122.628 122.820 0.106 0.000 1.902 384 A HA -0.138 4.182 4.320 0.000 0.000 0.217 384 A C 2.618 180.159 177.584 -0.073 0.000 1.181 384 A CA 1.690 53.725 52.037 -0.004 0.000 0.623 384 A CB -0.862 18.085 19.000 -0.088 0.000 0.818 384 A HN 0.313 nan 8.150 nan 0.000 0.443 385 V N 0.090 119.935 119.914 -0.114 0.000 2.261 385 V HA -0.247 3.873 4.120 0.000 0.000 0.246 385 V C 2.534 178.589 176.094 -0.065 0.000 1.047 385 V CA 1.966 64.211 62.300 -0.092 0.000 1.015 385 V CB -0.766 31.020 31.823 -0.061 0.000 0.642 385 V HN 0.567 nan 8.190 nan 0.000 0.446 386 L N -0.384 120.796 121.223 -0.072 0.000 2.201 386 L HA -0.138 4.202 4.340 0.000 0.000 0.212 386 L C 2.593 179.402 176.870 -0.101 0.000 1.105 386 L CA 1.534 56.322 54.840 -0.086 0.000 0.775 386 L CB -0.861 41.133 42.059 -0.108 0.000 0.913 386 L HN 0.394 nan 8.230 nan 0.000 0.440 387 T N 0.264 114.750 114.554 -0.113 0.000 2.708 387 T HA -0.158 4.192 4.350 0.000 0.000 0.266 387 T C 1.922 176.593 174.700 -0.049 0.000 1.037 387 T CA 1.312 63.365 62.100 -0.079 0.000 1.146 387 T CB -0.123 68.727 68.868 -0.029 0.000 0.865 387 T HN 0.199 nan 8.240 nan 0.000 0.435 388 I N 0.637 121.180 120.570 -0.044 0.000 2.226 388 I HA -0.148 4.022 4.170 0.000 0.000 0.245 388 I C 2.732 178.818 176.117 -0.051 0.000 1.100 388 I CA 1.272 62.547 61.300 -0.041 0.000 1.374 388 I CB -0.263 37.714 38.000 -0.039 0.000 1.057 388 I HN 0.213 nan 8.210 nan 0.000 0.413 389 E N 1.296 121.465 120.200 -0.052 0.000 2.047 389 E HA -0.179 4.171 4.350 0.000 0.000 0.191 389 E C 2.081 178.651 176.600 -0.050 0.000 0.987 389 E CA 1.772 58.144 56.400 -0.047 0.000 0.799 389 E CB -0.128 29.549 29.700 -0.040 0.000 0.752 389 E HN 0.407 nan 8.360 nan 0.000 0.449 390 A N -0.622 122.167 122.820 -0.053 0.000 1.970 390 A HA 0.155 4.475 4.320 0.000 0.000 0.216 390 A C 2.237 179.789 177.584 -0.054 0.000 1.170 390 A CA 1.339 53.346 52.037 -0.050 0.000 0.645 390 A CB -0.481 18.487 19.000 -0.054 0.000 0.816 390 A HN 0.375 nan 8.150 nan 0.000 0.447 391 G N -1.815 106.951 108.800 -0.058 0.000 2.784 391 G HA2 0.260 4.220 3.960 0.000 0.000 0.208 391 G HA3 0.260 4.220 3.960 0.000 0.000 0.208 391 G C 0.943 175.784 174.900 -0.098 0.000 1.120 391 G CA 0.379 45.444 45.100 -0.058 0.000 0.774 391 G HN 0.510 nan 8.290 nan 0.000 0.528 392 Q N 0.147 119.878 119.800 -0.115 0.000 2.063 392 Q HA 0.316 4.656 4.340 0.000 0.000 0.245 392 Q C -0.807 175.088 176.000 -0.175 0.000 0.828 392 Q CA -0.115 55.578 55.803 -0.183 0.000 1.089 392 Q CB 1.631 30.325 28.738 -0.073 0.000 1.232 392 Q HN 0.188 nan 8.270 nan 0.000 0.445 393 S N 0.254 115.872 115.700 -0.136 0.000 2.536 393 S HA 0.527 4.997 4.470 0.000 0.000 0.287 393 S C -0.431 174.130 174.600 -0.065 0.000 1.101 393 S CA -0.600 57.547 58.200 -0.089 0.000 0.950 393 S CB 2.058 65.220 63.200 -0.062 0.000 1.056 393 S HN -0.011 nan 8.310 nan 0.000 0.481 394 T N 2.101 116.645 114.554 -0.017 0.000 2.749 394 T HA 0.422 4.772 4.350 0.000 0.000 0.287 394 T C 1.046 175.753 174.700 0.012 0.000 0.970 394 T CA -0.523 61.596 62.100 0.033 0.000 0.980 394 T CB 0.862 69.826 68.868 0.159 0.000 0.924 394 T HN 0.765 nan 8.240 nan 0.000 0.456 395 T N -1.352 113.218 114.554 0.028 0.000 3.040 395 T HA 0.136 4.486 4.350 0.000 0.000 0.266 395 T C 0.547 175.317 174.700 0.118 0.000 1.005 395 T CA -0.595 61.532 62.100 0.045 0.000 0.906 395 T CB 0.081 68.974 68.868 0.041 0.000 1.082 395 T HN 0.648 nan 8.240 nan 0.000 0.531 396 D N 1.673 122.138 120.400 0.108 0.000 2.425 396 D HA 0.383 5.024 4.640 0.000 0.000 0.274 396 D C -0.228 176.185 176.300 0.187 0.000 1.242 396 D CA -0.447 53.641 54.000 0.147 0.000 1.060 396 D CB 0.568 41.421 40.800 0.089 0.000 1.112 396 D HN 0.291 nan 8.370 nan 0.000 0.561 397 N N -1.842 116.964 118.700 0.177 0.000 3.171 397 N HA 0.279 5.019 4.740 0.000 0.000 0.239 397 N C -2.981 172.596 175.510 0.113 0.000 1.275 397 N CA -1.101 52.057 53.050 0.179 0.000 0.920 397 N CB 1.819 40.541 38.487 0.392 0.000 1.554 397 N HN 0.077 nan 8.380 nan 0.000 0.504 398 P HA 0.154 nan 4.420 nan 0.000 0.269 398 P C -0.808 176.483 177.300 -0.014 0.000 1.217 398 P CA 0.081 63.141 63.100 -0.066 0.000 0.783 398 P CB 0.606 32.102 31.700 -0.340 0.000 0.898 399 L N 1.396 122.610 121.223 -0.016 0.000 2.334 399 L HA 0.483 4.823 4.340 0.000 0.000 0.276 399 L C 0.199 177.105 176.870 0.061 0.000 1.014 399 L CA -0.994 53.866 54.840 0.033 0.000 0.815 399 L CB 1.266 43.321 42.059 -0.007 0.000 1.268 399 L HN 0.217 nan 8.230 nan 0.000 0.428 400 I N 1.923 122.543 120.570 0.084 0.000 2.362 400 I HA 0.194 4.364 4.170 0.000 0.000 0.289 400 I C -0.293 175.837 176.117 0.022 0.000 0.994 400 I CA -0.081 61.257 61.300 0.064 0.000 1.158 400 I CB 1.472 39.532 38.000 0.099 0.000 1.315 400 I HN 0.404 nan 8.210 nan 0.000 0.451 401 D N 6.269 126.659 120.400 -0.017 0.000 2.467 401 D HA 0.205 4.845 4.640 0.000 0.000 0.220 401 D C 0.734 176.868 176.300 -0.277 0.000 1.103 401 D CA -0.164 53.803 54.000 -0.054 0.000 0.886 401 D CB 1.409 42.258 40.800 0.083 0.000 1.025 401 D HN 0.258 nan 8.370 nan 0.000 0.514 402 V N 3.805 123.533 119.914 -0.310 0.000 2.379 402 V HA -0.142 3.979 4.120 0.000 0.000 0.245 402 V C 2.349 178.242 176.094 -0.335 0.000 1.044 402 V CA 1.466 63.438 62.300 -0.547 0.000 1.036 402 V CB -0.445 31.203 31.823 -0.291 0.000 0.664 402 V HN 0.619 nan 8.190 nan 0.000 0.453 403 E N 0.835 120.941 120.200 -0.157 0.000 2.070 403 E HA -0.254 4.096 4.350 0.000 0.000 0.197 403 E C 1.390 177.947 176.600 -0.070 0.000 1.004 403 E CA 1.668 58.021 56.400 -0.079 0.000 0.805 403 E CB -0.056 29.621 29.700 -0.039 0.000 0.744 403 E HN 0.599 nan 8.360 nan 0.000 0.451 404 N N 0.603 119.256 118.700 -0.078 0.000 2.276 404 N HA 0.029 4.769 4.740 0.000 0.000 0.212 404 N C -0.669 174.808 175.510 -0.055 0.000 1.127 404 N CA 0.146 53.173 53.050 -0.038 0.000 0.834 404 N CB 0.613 39.104 38.487 0.007 0.000 1.014 404 N HN 0.128 nan 8.380 nan 0.000 0.491 405 K N 0.513 120.812 120.400 -0.167 0.000 3.177 405 K HA -0.145 4.175 4.320 0.000 0.000 0.266 405 K C -0.703 175.933 176.600 0.061 0.000 0.937 405 K CA 0.631 56.855 56.287 -0.106 0.000 0.702 405 K CB -1.705 30.922 32.500 0.211 0.000 1.365 405 K HN 0.143 nan 8.250 nan 0.000 0.466 406 T N -0.318 114.179 114.554 -0.094 0.000 2.912 406 T HA 0.333 4.683 4.350 0.000 0.000 0.299 406 T C -0.802 173.824 174.700 -0.123 0.000 1.052 406 T CA -0.741 61.304 62.100 -0.092 0.000 0.996 406 T CB 2.072 70.808 68.868 -0.219 0.000 1.070 406 T HN 0.146 nan 8.240 nan 0.000 0.465 407 S N 1.959 117.586 115.700 -0.123 0.000 2.437 407 S HA 0.479 4.949 4.470 0.000 0.000 0.305 407 S C -1.032 173.384 174.600 -0.306 0.000 1.109 407 S CA -0.700 57.431 58.200 -0.114 0.000 1.099 407 S CB 0.296 63.494 63.200 -0.003 0.000 1.004 407 S HN 0.663 nan 8.310 nan 0.000 0.475 408 H N 3.558 122.524 119.070 -0.174 0.000 2.469 408 H HA 0.332 4.888 4.556 0.000 0.000 0.342 408 H C -0.565 174.593 175.328 -0.283 0.000 1.115 408 H CA -0.580 55.384 56.048 -0.141 0.000 1.204 408 H CB 1.137 30.850 29.762 -0.081 0.000 1.492 408 H HN 0.679 nan 8.280 nan 0.000 0.499 409 H N 1.908 121.061 119.070 0.139 0.000 2.623 409 H HA 0.310 4.866 4.556 0.000 0.000 0.299 409 H C 0.397 175.780 175.328 0.092 0.000 1.052 409 H CA -0.310 55.805 56.048 0.111 0.000 1.231 409 H CB 1.550 31.363 29.762 0.084 0.000 1.389 409 H HN 0.843 nan 8.280 nan 0.000 0.469 410 G N 0.821 109.700 108.800 0.132 0.000 3.247 410 G HA2 0.445 4.405 3.960 0.000 0.000 0.226 410 G HA3 0.445 4.405 3.960 0.000 0.000 0.226 410 G C 0.152 174.994 174.900 -0.096 0.000 1.220 410 G CA -0.331 44.780 45.100 0.018 0.000 0.875 410 G HN 0.524 nan 8.290 nan 0.000 0.606 411 G N -0.460 108.132 108.800 -0.348 0.000 4.658 411 G HA2 0.169 4.129 3.960 0.000 0.000 0.279 411 G HA3 0.169 4.129 3.960 0.000 0.000 0.279 411 G C 0.384 174.714 174.900 -0.949 0.000 0.997 411 G CA -0.102 44.493 45.100 -0.842 0.000 0.765 411 G HN 0.288 nan 8.290 nan 0.000 0.442 412 N N 1.009 119.339 118.700 -0.616 0.000 2.550 412 N HA -0.032 4.708 4.740 0.000 0.000 0.186 412 N C 1.526 176.891 175.510 -0.241 0.000 1.110 412 N CA 0.377 53.225 53.050 -0.337 0.000 0.912 412 N CB -0.206 38.186 38.487 -0.159 0.000 0.968 412 N HN 0.607 nan 8.380 nan 0.000 0.448 413 F N 0.107 120.060 119.950 0.004 0.000 2.780 413 F HA 0.232 4.759 4.527 0.000 0.000 0.299 413 F C 0.894 176.698 175.800 0.007 0.000 1.146 413 F CA -0.656 57.348 58.000 0.006 0.000 1.428 413 F CB -0.816 38.193 39.000 0.014 0.000 1.115 413 F HN -0.215 nan 8.300 nan 0.000 0.583 414 Q N 2.293 122.046 119.800 -0.078 0.000 2.348 414 Q HA 0.459 4.799 4.340 0.000 0.000 0.251 414 Q C 0.373 176.381 176.000 0.015 0.000 1.113 414 Q CA 0.030 55.856 55.803 0.037 0.000 0.902 414 Q CB 0.972 29.667 28.738 -0.071 0.000 1.333 414 Q HN 0.356 nan 8.270 nan 0.000 0.457 415 A N 4.036 126.889 122.820 0.056 0.000 2.543 415 A HA 0.381 4.701 4.320 0.000 0.000 0.258 415 A C 1.404 178.998 177.584 0.017 0.000 1.391 415 A CA 0.527 52.583 52.037 0.031 0.000 1.066 415 A CB -0.615 18.410 19.000 0.041 0.000 0.972 415 A HN 0.869 nan 8.150 nan 0.000 0.560 416 A N 0.035 122.861 122.820 0.009 0.000 1.972 416 A HA 0.139 4.459 4.320 0.000 0.000 0.219 416 A C 2.374 179.962 177.584 0.006 0.000 1.169 416 A CA 1.704 53.745 52.037 0.007 0.000 0.635 416 A CB -0.574 18.427 19.000 0.001 0.000 0.810 416 A HN 1.098 nan 8.150 nan 0.000 0.446 417 A N -0.495 122.325 122.820 0.000 0.000 1.933 417 A HA 0.001 4.321 4.320 0.000 0.000 0.218 417 A C 2.204 179.793 177.584 0.009 0.000 1.175 417 A CA 1.833 53.873 52.037 0.006 0.000 0.628 417 A CB -0.788 18.207 19.000 -0.007 0.000 0.814 417 A HN 0.388 nan 8.150 nan 0.000 0.444 418 V N -0.325 119.591 119.914 0.003 0.000 2.323 418 V HA -0.169 3.951 4.120 0.000 0.000 0.244 418 V C 3.032 179.130 176.094 0.006 0.000 1.041 418 V CA 1.737 64.038 62.300 0.001 0.000 1.025 418 V CB -1.254 30.569 31.823 -0.000 0.000 0.656 418 V HN 0.591 nan 8.190 nan 0.000 0.451 419 A N 0.539 123.365 122.820 0.009 0.000 1.902 419 A HA -0.285 4.035 4.320 0.000 0.000 0.217 419 A C 2.215 179.803 177.584 0.008 0.000 1.181 419 A CA 2.050 54.093 52.037 0.009 0.000 0.623 419 A CB -0.897 18.111 19.000 0.013 0.000 0.818 419 A HN 0.621 nan 8.150 nan 0.000 0.443 420 N N 0.315 119.022 118.700 0.012 0.000 2.061 420 N HA -0.141 4.599 4.740 0.000 0.000 0.193 420 N C 1.199 176.720 175.510 0.018 0.000 1.030 420 N CA 1.984 55.042 53.050 0.014 0.000 0.856 420 N CB -0.530 37.974 38.487 0.028 0.000 1.023 420 N HN 0.591 nan 8.380 nan 0.000 0.424 424 K N 1.162 121.549 120.400 -0.022 0.000 2.057 424 K HA 0.004 4.324 4.320 0.000 0.000 0.207 424 K C 2.016 178.599 176.600 -0.029 0.000 1.049 424 K CA 1.950 58.217 56.287 -0.033 0.000 0.931 424 K CB -0.136 32.341 32.500 -0.038 0.000 0.714 424 K HN 0.001 nan 8.250 nan 0.000 0.440 425 T N 0.724 115.265 114.554 -0.022 0.000 2.821 425 T HA -0.127 4.223 4.350 0.000 0.000 0.267 425 T C 1.823 176.513 174.700 -0.016 0.000 1.046 425 T CA 1.119 63.204 62.100 -0.025 0.000 1.139 425 T CB -0.090 68.758 68.868 -0.034 0.000 0.871 425 T HN 0.231 nan 8.240 nan 0.000 0.454 426 R N 0.184 120.677 120.500 -0.012 0.000 2.115 426 R HA 0.017 4.357 4.340 0.000 0.000 0.230 426 R C 2.276 178.576 176.300 0.000 0.000 1.111 426 R CA 0.775 56.873 56.100 -0.003 0.000 0.976 426 R CB -0.315 29.982 30.300 -0.005 0.000 0.870 426 R HN 0.246 nan 8.270 nan 0.000 0.445 427 L N 0.066 121.282 121.223 -0.011 0.000 2.056 427 L HA 0.075 4.415 4.340 0.000 0.000 0.207 427 L C 2.094 178.956 176.870 -0.013 0.000 1.078 427 L CA 2.216 57.047 54.840 -0.015 0.000 0.749 427 L CB -1.031 41.008 42.059 -0.033 0.000 0.901 427 L HN 0.227 nan 8.230 nan 0.000 0.433 428 G N -0.214 108.572 108.800 -0.023 0.000 2.469 428 G HA2 -0.274 3.686 3.960 0.000 0.000 0.219 428 G HA3 -0.274 3.686 3.960 0.000 0.000 0.219 428 G C 1.621 176.536 174.900 0.025 0.000 1.150 428 G CA 1.246 46.336 45.100 -0.018 0.000 0.763 428 G HN 0.450 nan 8.290 nan 0.000 0.561 429 L N 0.598 121.839 121.223 0.030 0.000 2.083 429 L HA -0.078 4.262 4.340 0.000 0.000 0.209 429 L C 3.388 180.308 176.870 0.084 0.000 1.083 429 L CA 1.062 55.935 54.840 0.054 0.000 0.752 429 L CB -0.379 41.704 42.059 0.040 0.000 0.899 429 L HN 0.312 nan 8.230 nan 0.000 0.433 430 A N -0.890 121.974 122.820 0.074 0.000 1.930 430 A HA -0.175 4.145 4.320 0.000 0.000 0.217 430 A C 2.269 179.948 177.584 0.158 0.000 1.175 430 A CA 1.086 53.182 52.037 0.098 0.000 0.627 430 A CB -0.252 18.791 19.000 0.072 0.000 0.815 430 A HN 0.366 nan 8.150 nan 0.000 0.443 431 Q N -0.113 119.776 119.800 0.149 0.000 2.083 431 Q HA -0.048 4.292 4.340 0.000 0.000 0.198 431 Q C 2.126 178.384 176.000 0.430 0.000 0.969 431 Q CA 1.245 57.206 55.803 0.264 0.000 0.838 431 Q CB -0.505 28.229 28.738 -0.007 0.000 0.900 431 Q HN 0.770 nan 8.270 nan 0.000 0.436 432 I N 0.436 121.165 120.570 0.265 0.000 2.127 432 I HA -0.242 3.928 4.170 0.000 0.000 0.241 432 I C 2.349 178.620 176.117 0.256 0.000 1.075 432 I CA 1.416 62.875 61.300 0.264 0.000 1.334 432 I CB -0.795 37.306 38.000 0.169 0.000 1.040 432 I HN 0.233 nan 8.210 nan 0.000 0.405 433 G N 0.864 109.793 108.800 0.215 0.000 2.446 433 G HA2 -0.351 3.609 3.960 0.000 0.000 0.217 433 G HA3 -0.351 3.609 3.960 0.000 0.000 0.217 433 G C 1.650 176.695 174.900 0.242 0.000 1.168 433 G CA 1.247 46.472 45.100 0.208 0.000 0.771 433 G HN 0.218 nan 8.290 nan 0.000 0.551 434 K N 0.058 120.611 120.400 0.255 0.000 2.063 434 K HA -0.044 4.276 4.320 0.000 0.000 0.208 434 K C 2.315 179.024 176.600 0.182 0.000 1.048 434 K CA 1.090 57.532 56.287 0.259 0.000 0.928 434 K CB -0.674 32.003 32.500 0.295 0.000 0.713 434 K HN 0.255 nan 8.250 nan 0.000 0.442 435 L N 1.143 122.447 121.223 0.136 0.000 1.970 435 L HA -0.184 4.156 4.340 0.000 0.000 0.212 435 L C 1.391 178.282 176.870 0.036 0.000 1.071 435 L CA 2.160 56.965 54.840 -0.059 0.000 0.751 435 L CB -0.906 41.169 42.059 0.027 0.000 0.889 435 L HN 0.331 nan 8.230 nan 0.000 0.432 436 N N -1.570 117.220 118.700 0.151 0.000 2.244 436 N HA -0.205 4.535 4.740 0.000 0.000 0.183 436 N C 1.661 177.186 175.510 0.025 0.000 1.016 436 N CA 1.363 54.518 53.050 0.176 0.000 0.866 436 N CB -0.378 38.318 38.487 0.348 0.000 0.980 436 N HN 0.402 nan 8.380 nan 0.000 0.430 437 F N 1.964 121.904 119.950 -0.016 0.000 2.095 437 F HA -0.215 4.312 4.527 0.000 0.000 0.298 437 F C 2.495 178.230 175.800 -0.109 0.000 1.104 437 F CA 1.770 59.734 58.000 -0.059 0.000 1.232 437 F CB -1.077 37.919 39.000 -0.007 0.000 0.987 437 F HN 0.064 nan 8.300 nan 0.000 0.475 438 T N -1.671 112.708 114.554 -0.291 0.000 2.833 438 T HA -0.214 4.136 4.350 0.000 0.000 0.269 438 T C 1.788 176.281 174.700 -0.345 0.000 1.054 438 T CA 1.558 63.413 62.100 -0.408 0.000 1.135 438 T CB -0.718 68.028 68.868 -0.202 0.000 0.869 438 T HN 0.533 nan 8.240 nan 0.000 0.466 439 Q N 0.383 120.037 119.800 -0.243 0.000 2.050 439 Q HA 0.031 4.371 4.340 0.000 0.000 0.202 439 Q C 2.350 178.171 176.000 -0.298 0.000 0.980 439 Q CA 1.455 57.148 55.803 -0.183 0.000 0.840 439 Q CB -0.377 28.346 28.738 -0.024 0.000 0.898 439 Q HN 0.430 nan 8.270 nan 0.000 0.424 440 L N 0.164 121.079 121.223 -0.513 0.000 2.027 440 L HA -0.140 4.200 4.340 0.000 0.000 0.206 440 L C 2.318 178.970 176.870 -0.362 0.000 1.074 440 L CA 2.108 56.639 54.840 -0.515 0.000 0.745 440 L CB -0.892 40.814 42.059 -0.588 0.000 0.898 440 L HN 0.123 nan 8.230 nan 0.000 0.433 441 T N -1.007 113.244 114.554 -0.504 0.000 2.951 441 T HA -0.112 4.238 4.350 0.000 0.000 0.268 441 T C 1.050 175.577 174.700 -0.288 0.000 1.073 441 T CA 0.527 62.362 62.100 -0.442 0.000 1.134 441 T CB -0.213 68.206 68.868 -0.749 0.000 0.884 441 T HN 0.546 nan 8.240 nan 0.000 0.479 445 N N 1.655 120.309 118.700 -0.078 0.000 2.457 445 N HA 0.411 5.151 4.740 0.000 0.000 0.250 445 N C 0.854 176.334 175.510 -0.049 0.000 0.982 445 N CA 0.657 53.669 53.050 -0.063 0.000 0.941 445 N CB 2.125 40.566 38.487 -0.077 0.000 1.120 445 N HN 0.207 nan 8.380 nan 0.000 0.505 446 A N 3.154 125.954 122.820 -0.033 0.000 1.978 446 A HA 0.049 4.369 4.320 0.000 0.000 0.220 446 A C 1.223 178.789 177.584 -0.030 0.000 1.170 446 A CA 1.338 53.359 52.037 -0.027 0.000 0.636 446 A CB -0.786 18.210 19.000 -0.006 0.000 0.810 446 A HN 0.632 nan 8.150 nan 0.000 0.448 450 R N 0.526 121.000 120.500 -0.044 0.000 3.416 450 R HA -0.105 4.235 4.340 0.000 0.000 0.263 450 R C 0.915 177.189 176.300 -0.043 0.000 1.053 450 R CA 1.060 57.138 56.100 -0.036 0.000 0.705 450 R CB -2.106 28.176 30.300 -0.029 0.000 1.124 450 R HN 0.951 nan 8.270 nan 0.000 0.444 451 G N -0.816 107.951 108.800 -0.055 0.000 2.141 451 G HA2 -0.320 3.640 3.960 0.000 0.000 0.242 451 G HA3 -0.320 3.640 3.960 0.000 0.000 0.242 451 G C 0.258 175.113 174.900 -0.075 0.000 0.982 451 G CA 0.118 45.178 45.100 -0.067 0.000 0.662 451 G HN 0.263 nan 8.290 nan 0.000 0.527 452 L N 1.095 122.273 121.223 -0.075 0.000 2.461 452 L HA 0.320 4.660 4.340 0.000 0.000 0.272 452 L C -1.483 175.347 176.870 -0.066 0.000 1.197 452 L CA -1.755 53.035 54.840 -0.083 0.000 0.836 452 L CB 0.425 42.430 42.059 -0.090 0.000 1.105 452 L HN -0.079 nan 8.230 nan 0.000 0.477 453 P HA -0.015 nan 4.420 nan 0.000 0.266 453 P C -0.700 176.593 177.300 -0.011 0.000 1.195 453 P CA -0.323 62.755 63.100 -0.036 0.000 0.768 453 P CB 0.418 32.102 31.700 -0.026 0.000 0.838 454 S N 1.939 117.643 115.700 0.007 0.000 2.626 454 S HA -0.088 4.382 4.470 0.000 0.000 0.303 454 S C 0.561 175.192 174.600 0.052 0.000 1.256 454 S CA -0.167 58.051 58.200 0.031 0.000 1.069 454 S CB -1.258 61.976 63.200 0.057 0.000 0.807 454 S HN 0.743 nan 8.310 nan 0.000 0.500 455 C N 2.297 121.623 119.300 0.044 0.000 4.326 455 C HA -0.209 4.251 4.460 0.000 0.000 0.284 455 C C 1.183 176.197 174.990 0.040 0.000 1.419 455 C CA 0.372 59.424 59.018 0.057 0.000 1.920 455 C CB -2.909 24.911 27.740 0.134 0.000 1.306 455 C HN 1.104 nan 8.230 nan 0.000 0.786 456 L N -3.244 117.993 121.223 0.024 0.000 3.843 456 L HA -0.290 4.050 4.340 0.000 0.000 0.411 456 L C 0.947 177.930 176.870 0.188 0.000 1.205 456 L CA 0.619 55.485 54.840 0.043 0.000 0.945 456 L CB -2.068 39.969 42.059 -0.037 0.000 1.929 456 L HN 0.865 nan 8.230 nan 0.000 0.934 457 A N -0.172 122.735 122.820 0.145 0.000 2.450 457 A HA 0.618 4.938 4.320 0.000 0.000 0.255 457 A C 1.349 178.977 177.584 0.073 0.000 1.096 457 A CA 0.534 52.650 52.037 0.132 0.000 0.778 457 A CB 1.011 20.045 19.000 0.056 0.000 1.031 457 A HN 0.524 nan 8.150 nan 0.000 0.494 458 A N 1.875 124.730 122.820 0.058 0.000 2.016 458 A HA 0.154 4.474 4.320 0.000 0.000 0.217 458 A C 1.099 178.653 177.584 -0.050 0.000 1.162 458 A CA 0.996 53.066 52.037 0.055 0.000 0.662 458 A CB -0.088 19.022 19.000 0.183 0.000 0.812 458 A HN 0.792 nan 8.150 nan 0.000 0.450 459 E N -0.125 120.010 120.200 -0.110 0.000 2.538 459 E HA 0.251 4.601 4.350 0.000 0.000 0.232 459 E C -1.244 175.326 176.600 -0.050 0.000 0.830 459 E CA -0.924 55.388 56.400 -0.146 0.000 0.916 459 E CB -0.139 29.392 29.700 -0.282 0.000 1.567 459 E HN 0.093 nan 8.360 nan 0.000 0.389 460 D N 2.374 122.770 120.400 -0.006 0.000 2.487 460 D HA 0.018 4.658 4.640 0.000 0.000 0.243 460 D C -1.585 174.706 176.300 -0.015 0.000 1.154 460 D CA -0.987 53.021 54.000 0.013 0.000 0.876 460 D CB 0.492 41.318 40.800 0.042 0.000 1.161 460 D HN 0.018 nan 8.370 nan 0.000 0.478 461 P HA -0.103 nan 4.420 nan 0.000 0.226 461 P C 1.190 178.493 177.300 0.006 0.000 1.153 461 P CA 0.669 63.771 63.100 0.004 0.000 0.777 461 P CB 0.096 31.829 31.700 0.056 0.000 0.794 462 S N -0.660 115.051 115.700 0.019 0.000 2.440 462 S HA -0.093 4.377 4.470 0.000 0.000 0.238 462 S C 1.339 175.935 174.600 -0.007 0.000 1.010 462 S CA 1.046 59.276 58.200 0.050 0.000 0.972 462 S CB -1.093 62.127 63.200 0.033 0.000 0.774 462 S HN 0.166 nan 8.310 nan 0.000 0.501 463 L N 0.716 121.847 121.223 -0.153 0.000 3.366 463 L HA 0.449 4.789 4.340 0.000 0.000 0.304 463 L C 0.025 176.614 176.870 -0.469 0.000 1.292 463 L CA -0.227 54.454 54.840 -0.265 0.000 1.012 463 L CB 1.051 43.047 42.059 -0.104 0.000 1.414 463 L HN 0.245 nan 8.230 nan 0.000 0.603 464 S N -0.573 114.720 115.700 -0.678 0.000 2.689 464 S HA 0.442 4.912 4.470 0.000 0.000 0.274 464 S C -0.972 173.317 174.600 -0.518 0.000 1.176 464 S CA -0.314 57.558 58.200 -0.547 0.000 1.014 464 S CB 0.683 63.758 63.200 -0.210 0.000 1.071 464 S HN 0.216 nan 8.310 nan 0.000 0.478 465 Y N 4.263 124.606 120.300 0.073 0.000 2.720 465 Y HA 0.342 4.892 4.550 0.000 0.000 0.268 465 Y C 1.592 177.570 175.900 0.130 0.000 1.142 465 Y CA -0.546 57.600 58.100 0.076 0.000 1.193 465 Y CB -1.120 37.367 38.460 0.045 0.000 1.176 465 Y HN 0.937 nan 8.280 nan 0.000 0.542 466 H N -0.053 119.069 119.070 0.086 0.000 2.153 466 H HA -0.369 4.187 4.556 0.000 0.000 0.230 466 H C 0.764 176.169 175.328 0.128 0.000 1.121 466 H CA 2.377 58.484 56.048 0.099 0.000 1.439 466 H CB -0.200 29.618 29.762 0.094 0.000 1.749 466 H HN 0.415 nan 8.280 nan 0.000 0.752 467 C N 1.419 120.718 119.300 -0.002 0.000 2.673 467 C HA 0.113 4.573 4.460 0.000 0.000 0.274 467 C C 2.340 177.335 174.990 0.009 0.000 1.276 467 C CA -0.107 58.861 59.018 -0.083 0.000 1.701 467 C CB -0.869 26.760 27.740 -0.185 0.000 1.836 467 C HN 0.542 nan 8.230 nan 0.000 0.596 468 K N 1.765 122.203 120.400 0.063 0.000 2.063 468 K HA -0.124 4.196 4.320 0.000 0.000 0.208 468 K C 2.108 178.718 176.600 0.017 0.000 1.048 468 K CA 1.891 58.204 56.287 0.043 0.000 0.928 468 K CB -0.385 32.156 32.500 0.068 0.000 0.713 468 K HN 0.519 nan 8.250 nan 0.000 0.442 469 G N 1.240 110.057 108.800 0.029 0.000 2.422 469 G HA2 -0.202 3.758 3.960 0.000 0.000 0.218 469 G HA3 -0.202 3.758 3.960 0.000 0.000 0.218 469 G C 1.490 176.373 174.900 -0.028 0.000 1.146 469 G CA 0.587 45.686 45.100 -0.002 0.000 0.769 469 G HN 0.219 nan 8.290 nan 0.000 0.547 470 L N 0.238 121.452 121.223 -0.015 0.000 2.141 470 L HA -0.042 4.298 4.340 0.000 0.000 0.209 470 L C 2.506 179.371 176.870 -0.008 0.000 1.094 470 L CA 1.075 55.906 54.840 -0.015 0.000 0.763 470 L CB -0.327 41.736 42.059 0.007 0.000 0.908 470 L HN 0.142 nan 8.230 nan 0.000 0.437 471 D N 0.734 121.132 120.400 -0.003 0.000 2.104 471 D HA -0.196 4.444 4.640 0.000 0.000 0.194 471 D C 2.143 178.464 176.300 0.034 0.000 0.994 471 D CA 1.472 55.480 54.000 0.014 0.000 0.830 471 D CB 0.015 40.810 40.800 -0.007 0.000 0.959 471 D HN 0.243 nan 8.370 nan 0.000 0.452 472 I N 0.389 120.947 120.570 -0.020 0.000 2.202 472 I HA -0.228 3.942 4.170 0.000 0.000 0.242 472 I C 2.519 178.539 176.117 -0.162 0.000 1.091 472 I CA 1.046 62.311 61.300 -0.060 0.000 1.368 472 I CB -0.325 37.636 38.000 -0.066 0.000 1.058 472 I HN -0.004 nan 8.210 nan 0.000 0.410 473 A N 0.851 123.533 122.820 -0.231 0.000 1.908 473 A HA -0.238 4.082 4.320 0.000 0.000 0.218 473 A C 2.547 179.671 177.584 -0.766 0.000 1.181 473 A CA 2.098 53.807 52.037 -0.546 0.000 0.627 473 A CB -0.948 17.785 19.000 -0.445 0.000 0.818 473 A HN 0.447 nan 8.150 nan 0.000 0.445 474 A N -0.226 122.440 122.820 -0.256 0.000 1.902 474 A HA 0.129 4.449 4.320 0.000 0.000 0.217 474 A C 2.521 180.045 177.584 -0.101 0.000 1.181 474 A CA 2.223 54.275 52.037 0.025 0.000 0.623 474 A CB -1.055 18.119 19.000 0.290 0.000 0.818 474 A HN 1.114 nan 8.150 nan 0.000 0.443 475 A N -0.067 122.666 122.820 -0.146 0.000 1.883 475 A HA 0.111 4.431 4.320 0.000 0.000 0.217 475 A C 2.542 179.898 177.584 -0.380 0.000 1.186 475 A CA 2.324 54.076 52.037 -0.474 0.000 0.624 475 A CB -1.137 17.747 19.000 -0.193 0.000 0.822 475 A HN 1.119 nan 8.150 nan 0.000 0.444 476 A N -1.177 121.449 122.820 -0.325 0.000 1.908 476 A HA -0.093 4.227 4.320 0.000 0.000 0.218 476 A C 2.091 179.597 177.584 -0.130 0.000 1.181 476 A CA 1.745 53.629 52.037 -0.255 0.000 0.627 476 A CB -0.842 17.971 19.000 -0.312 0.000 0.818 476 A HN 0.584 nan 8.150 nan 0.000 0.445 477 Y N 0.674 120.928 120.300 -0.077 0.000 2.200 477 Y HA -0.117 4.433 4.550 0.000 0.000 0.290 477 Y C 2.924 178.786 175.900 -0.063 0.000 1.137 477 Y CA 1.208 59.282 58.100 -0.044 0.000 1.163 477 Y CB -1.562 36.897 38.460 -0.002 0.000 0.988 477 Y HN 0.268 nan 8.280 nan 0.000 0.518 478 T N -0.710 113.842 114.554 -0.004 0.000 2.746 478 T HA -0.164 4.186 4.350 0.000 0.000 0.267 478 T C 2.211 176.863 174.700 -0.081 0.000 1.039 478 T CA 1.673 63.717 62.100 -0.092 0.000 1.142 478 T CB -0.437 68.202 68.868 -0.382 0.000 0.866 478 T HN 0.283 nan 8.240 nan 0.000 0.444 479 S N 0.976 116.602 115.700 -0.124 0.000 2.370 479 S HA -0.149 4.321 4.470 0.000 0.000 0.226 479 S C 2.068 176.671 174.600 0.005 0.000 1.033 479 S CA 1.303 59.462 58.200 -0.068 0.000 1.011 479 S CB -0.310 62.836 63.200 -0.089 0.000 0.852 479 S HN 0.623 nan 8.310 nan 0.000 0.457 480 E N 0.963 121.177 120.200 0.024 0.000 2.077 480 E HA -0.132 4.218 4.350 0.000 0.000 0.193 480 E C 1.950 178.608 176.600 0.096 0.000 0.989 480 E CA 0.868 57.306 56.400 0.063 0.000 0.800 480 E CB -0.190 29.556 29.700 0.077 0.000 0.746 480 E HN 0.423 nan 8.360 nan 0.000 0.452 481 L N 0.065 121.337 121.223 0.082 0.000 2.079 481 L HA -0.148 4.192 4.340 0.000 0.000 0.210 481 L C 2.575 179.490 176.870 0.074 0.000 1.081 481 L CA 1.263 56.150 54.840 0.078 0.000 0.752 481 L CB -0.652 41.455 42.059 0.080 0.000 0.896 481 L HN 0.315 nan 8.230 nan 0.000 0.433 482 G N -1.297 107.546 108.800 0.072 0.000 2.433 482 G HA2 -0.323 3.637 3.960 0.000 0.000 0.216 482 G HA3 -0.323 3.637 3.960 0.000 0.000 0.216 482 G C 1.546 176.496 174.900 0.083 0.000 1.186 482 G CA 0.874 46.015 45.100 0.069 0.000 0.779 482 G HN 0.457 nan 8.290 nan 0.000 0.543 483 H N 0.652 119.728 119.070 0.010 0.000 2.387 483 H HA 0.076 4.632 4.556 0.000 0.000 0.299 483 H C 2.614 177.948 175.328 0.010 0.000 1.090 483 H CA 1.173 57.226 56.048 0.008 0.000 1.332 483 H CB -0.185 29.578 29.762 0.001 0.000 1.386 483 H HN 0.286 nan 8.280 nan 0.000 0.516 484 L N 0.620 121.879 121.223 0.060 0.000 2.079 484 L HA -0.182 4.158 4.340 0.000 0.000 0.210 484 L C 3.010 179.844 176.870 -0.061 0.000 1.081 484 L CA 1.144 55.981 54.840 -0.005 0.000 0.752 484 L CB -0.525 41.568 42.059 0.056 0.000 0.896 484 L HN 0.317 nan 8.230 nan 0.000 0.433 485 A N -0.669 122.133 122.820 -0.031 0.000 2.125 485 A HA -0.102 4.218 4.320 0.000 0.000 0.219 485 A C 0.918 178.478 177.584 -0.040 0.000 1.156 485 A CA 0.541 52.565 52.037 -0.023 0.000 0.671 485 A CB -0.687 18.315 19.000 0.003 0.000 0.794 485 A HN 0.425 nan 8.150 nan 0.000 0.459 486 N N 1.229 119.881 118.700 -0.079 0.000 2.395 486 N HA 0.154 4.894 4.740 0.000 0.000 0.246 486 N C -2.650 172.842 175.510 -0.030 0.000 1.246 486 N CA -0.707 52.307 53.050 -0.061 0.000 0.879 486 N CB 0.071 38.500 38.487 -0.096 0.000 1.098 486 N HN 0.244 nan 8.380 nan 0.000 0.444 487 P HA 0.072 nan 4.420 nan 0.000 0.275 487 P C 0.600 177.954 177.300 0.091 0.000 1.228 487 P CA -0.260 62.853 63.100 0.021 0.000 0.786 487 P CB 0.997 32.698 31.700 0.002 0.000 0.927 488 V N 2.041 122.001 119.914 0.077 0.000 2.878 488 V HA -0.111 4.009 4.120 0.000 0.000 0.250 488 V C 2.425 178.603 176.094 0.140 0.000 1.075 488 V CA 2.331 64.711 62.300 0.133 0.000 1.096 488 V CB -1.405 30.449 31.823 0.053 0.000 0.724 488 V HN 0.687 nan 8.190 nan 0.000 0.467 489 T N -1.712 112.875 114.554 0.055 0.000 3.113 489 T HA -0.123 4.227 4.350 0.000 0.000 0.263 489 T C 1.534 176.215 174.700 -0.031 0.000 1.143 489 T CA 1.311 63.423 62.100 0.019 0.000 1.090 489 T CB -0.598 68.273 68.868 0.005 0.000 0.922 489 T HN 0.588 nan 8.240 nan 0.000 0.521 490 T N -1.203 113.290 114.554 -0.102 0.000 3.129 490 T HA 0.069 4.420 4.350 0.000 0.000 0.251 490 T C 0.897 175.332 174.700 -0.442 0.000 1.117 490 T CA 0.030 61.977 62.100 -0.254 0.000 1.034 490 T CB -0.439 68.235 68.868 -0.322 0.000 0.968 490 T HN 0.524 nan 8.240 nan 0.000 0.526 491 H N 0.626 119.692 119.070 -0.006 0.000 2.486 491 H HA 0.382 4.938 4.556 0.000 0.000 0.284 491 H C 0.066 175.395 175.328 0.002 0.000 1.103 491 H CA -0.466 55.580 56.048 -0.003 0.000 1.089 491 H CB 0.244 30.002 29.762 -0.006 0.000 1.603 491 H HN 0.250 nan 8.280 nan 0.000 0.557 492 V N 2.971 122.911 119.914 0.042 0.000 2.599 492 V HA -0.057 4.063 4.120 0.000 0.000 0.300 492 V C 0.597 176.712 176.094 0.036 0.000 1.034 492 V CA 0.272 62.595 62.300 0.038 0.000 1.115 492 V CB 0.955 32.788 31.823 0.016 0.000 0.934 492 V HN 0.304 nan 8.190 nan 0.000 0.485 493 Q N 6.487 126.311 119.800 0.041 0.000 2.248 493 Q HA 0.389 4.729 4.340 0.000 0.000 0.263 493 Q C -2.266 173.751 176.000 0.029 0.000 1.007 493 Q CA -2.292 53.532 55.803 0.035 0.000 0.877 493 Q CB 1.357 30.117 28.738 0.037 0.000 1.315 493 Q HN 0.463 nan 8.270 nan 0.000 0.454 494 P HA 0.135 nan 4.420 nan 0.000 0.241 494 P C -0.778 176.535 177.300 0.022 0.000 1.760 494 P CA 0.085 63.198 63.100 0.022 0.000 1.081 494 P CB -0.417 31.293 31.700 0.017 0.000 1.975 495 A N 1.787 124.623 122.820 0.026 0.000 2.407 495 A HA 0.278 4.598 4.320 0.000 0.000 0.248 495 A C 0.674 178.271 177.584 0.021 0.000 1.082 495 A CA -0.020 52.032 52.037 0.025 0.000 0.785 495 A CB -0.076 18.941 19.000 0.029 0.000 1.020 495 A HN 0.560 nan 8.150 nan 0.000 0.489 499 N N 0.970 119.681 118.700 0.019 0.000 2.120 499 N HA -0.144 4.596 4.740 0.000 0.000 0.188 499 N C 1.011 176.546 175.510 0.042 0.000 1.024 499 N CA 1.938 55.004 53.050 0.027 0.000 0.852 499 N CB -0.107 38.390 38.487 0.017 0.000 1.003 499 N HN 0.631 nan 8.380 nan 0.000 0.424 500 Q N -0.509 119.314 119.800 0.038 0.000 2.526 500 Q HA 0.356 4.696 4.340 0.000 0.000 0.353 500 Q C 0.516 176.544 176.000 0.047 0.000 0.977 500 Q CA -0.230 55.605 55.803 0.053 0.000 1.027 500 Q CB 0.734 29.498 28.738 0.044 0.000 1.272 500 Q HN 0.376 nan 8.270 nan 0.000 0.420 501 A N 0.626 123.471 122.820 0.041 0.000 2.015 501 A HA -0.017 4.303 4.320 0.000 0.000 0.219 501 A C 1.170 178.773 177.584 0.032 0.000 1.163 501 A CA 0.720 52.776 52.037 0.032 0.000 0.646 501 A CB 0.051 19.067 19.000 0.025 0.000 0.806 501 A HN 0.337 nan 8.150 nan 0.000 0.448 502 V N -0.435 119.503 119.914 0.041 0.000 2.435 502 V HA 0.687 4.807 4.120 0.000 0.000 0.290 502 V C -1.061 175.067 176.094 0.057 0.000 1.030 502 V CA -0.715 61.609 62.300 0.039 0.000 0.881 502 V CB 0.896 32.737 31.823 0.031 0.000 0.983 502 V HN 0.595 nan 8.190 nan 0.000 0.445 503 N N 1.621 120.351 118.700 0.051 0.000 2.308 503 N HA 0.430 5.170 4.740 0.000 0.000 0.283 503 N C 0.448 175.988 175.510 0.050 0.000 1.105 503 N CA -0.196 52.892 53.050 0.063 0.000 0.840 503 N CB 2.011 40.533 38.487 0.059 0.000 1.633 503 N HN 0.614 nan 8.380 nan 0.000 0.476 504 S N 1.910 117.642 115.700 0.055 0.000 2.406 504 S HA -0.051 4.419 4.470 0.000 0.000 0.228 504 S C 0.940 175.561 174.600 0.034 0.000 1.020 504 S CA 0.456 58.680 58.200 0.040 0.000 0.965 504 S CB -0.783 62.441 63.200 0.040 0.000 0.798 504 S HN 0.673 nan 8.310 nan 0.000 0.488 505 L N -0.371 120.874 121.223 0.038 0.000 4.001 505 L HA -0.288 4.052 4.340 0.000 0.000 0.413 505 L C 1.752 178.637 176.870 0.025 0.000 1.185 505 L CA 0.126 54.986 54.840 0.033 0.000 0.963 505 L CB -2.491 39.591 42.059 0.039 0.000 1.976 505 L HN 0.478 nan 8.230 nan 0.000 0.939 506 A N 0.017 122.852 122.820 0.024 0.000 1.902 506 A HA -0.163 4.157 4.320 0.000 0.000 0.217 506 A C 1.940 179.530 177.584 0.010 0.000 1.181 506 A CA 1.992 54.039 52.037 0.016 0.000 0.623 506 A CB -0.163 18.847 19.000 0.017 0.000 0.818 506 A HN 0.430 nan 8.150 nan 0.000 0.443 507 L N -0.008 121.221 121.223 0.010 0.000 2.056 507 L HA -0.085 4.255 4.340 0.000 0.000 0.207 507 L C 2.222 179.092 176.870 -0.001 0.000 1.078 507 L CA 1.642 56.483 54.840 0.002 0.000 0.749 507 L CB -0.428 41.631 42.059 0.000 0.000 0.901 507 L HN 0.448 nan 8.230 nan 0.000 0.433 508 I N -1.497 119.074 120.570 0.003 0.000 2.179 508 I HA -0.310 3.860 4.170 0.000 0.000 0.242 508 I C 2.666 178.783 176.117 0.000 0.000 1.088 508 I CA 1.499 62.799 61.300 0.000 0.000 1.357 508 I CB -0.645 37.358 38.000 0.004 0.000 1.051 508 I HN 0.285 nan 8.210 nan 0.000 0.409 509 S N 0.484 116.187 115.700 0.006 0.000 2.359 509 S HA -0.227 4.243 4.470 0.000 0.000 0.224 509 S C 2.237 176.836 174.600 -0.001 0.000 1.035 509 S CA 1.566 59.768 58.200 0.004 0.000 1.018 509 S CB -0.292 62.912 63.200 0.007 0.000 0.876 509 S HN 0.489 nan 8.310 nan 0.000 0.448 510 A N 1.484 124.303 122.820 -0.002 0.000 1.908 510 A HA -0.125 4.195 4.320 0.000 0.000 0.218 510 A C 2.205 179.786 177.584 -0.006 0.000 1.181 510 A CA 1.600 53.633 52.037 -0.006 0.000 0.627 510 A CB -0.618 18.378 19.000 -0.008 0.000 0.818 510 A HN 0.610 nan 8.150 nan 0.000 0.445 511 R N -1.085 119.411 120.500 -0.007 0.000 2.073 511 R HA -0.090 4.250 4.340 0.000 0.000 0.234 511 R C 2.389 178.687 176.300 -0.002 0.000 1.134 511 R CA 1.380 57.475 56.100 -0.008 0.000 0.952 511 R CB -0.253 30.041 30.300 -0.011 0.000 0.850 511 R HN 0.325 nan 8.270 nan 0.000 0.433 512 R N -0.127 120.372 120.500 -0.002 0.000 2.092 512 R HA -0.022 4.318 4.340 0.000 0.000 0.231 512 R C 2.163 178.467 176.300 0.005 0.000 1.119 512 R CA 1.452 57.554 56.100 0.002 0.000 0.970 512 R CB -0.934 29.363 30.300 -0.004 0.000 0.864 512 R HN 0.252 nan 8.270 nan 0.000 0.440 513 T N 0.696 115.251 114.554 0.001 0.000 2.867 513 T HA -0.079 4.271 4.350 0.000 0.000 0.268 513 T C 1.735 176.439 174.700 0.006 0.000 1.057 513 T CA 1.745 63.846 62.100 0.002 0.000 1.136 513 T CB -0.205 68.660 68.868 -0.005 0.000 0.874 513 T HN 0.286 nan 8.240 nan 0.000 0.466 514 T N 1.581 116.137 114.554 0.004 0.000 2.788 514 T HA -0.104 4.246 4.350 0.000 0.000 0.268 514 T C 1.904 176.612 174.700 0.014 0.000 1.044 514 T CA 1.283 63.386 62.100 0.006 0.000 1.139 514 T CB -0.178 68.690 68.868 -0.001 0.000 0.867 514 T HN 0.541 nan 8.240 nan 0.000 0.454 515 E N 0.622 120.831 120.200 0.015 0.000 2.072 515 E HA -0.096 4.254 4.350 0.000 0.000 0.191 515 E C 2.297 178.914 176.600 0.029 0.000 0.985 515 E CA 0.999 57.413 56.400 0.023 0.000 0.801 515 E CB -0.021 29.693 29.700 0.024 0.000 0.750 515 E HN 0.319 nan 8.360 nan 0.000 0.452 516 S N 0.987 116.703 115.700 0.028 0.000 2.382 516 S HA -0.125 4.345 4.470 0.000 0.000 0.228 516 S C 1.621 176.241 174.600 0.033 0.000 1.027 516 S CA 0.907 59.127 58.200 0.034 0.000 0.991 516 S CB -0.314 62.904 63.200 0.031 0.000 0.823 516 S HN 0.329 nan 8.310 nan 0.000 0.469 517 N N 1.564 120.280 118.700 0.027 0.000 2.104 517 N HA -0.133 4.607 4.740 0.000 0.000 0.190 517 N C 1.466 176.998 175.510 0.036 0.000 1.024 517 N CA 1.324 54.391 53.050 0.028 0.000 0.853 517 N CB -0.601 37.899 38.487 0.021 0.000 1.008 517 N HN 0.376 nan 8.380 nan 0.000 0.424 518 D N 0.406 120.832 120.400 0.044 0.000 2.097 518 D HA -0.059 4.581 4.640 0.000 0.000 0.197 518 D C 1.953 178.295 176.300 0.070 0.000 0.984 518 D CA 0.577 54.627 54.000 0.084 0.000 0.826 518 D CB -0.023 40.827 40.800 0.082 0.000 0.973 518 D HN -0.052 nan 8.370 nan 0.000 0.460 519 V N 0.660 120.581 119.914 0.013 0.000 2.343 519 V HA -0.190 3.930 4.120 0.000 0.000 0.247 519 V C 2.521 178.577 176.094 -0.063 0.000 1.051 519 V CA 1.268 63.531 62.300 -0.060 0.000 1.036 519 V CB -0.540 31.285 31.823 0.003 0.000 0.654 519 V HN 0.253 nan 8.190 nan 0.000 0.451 520 L N 0.242 121.477 121.223 0.019 0.000 2.083 520 L HA -0.105 4.235 4.340 0.000 0.000 0.209 520 L C 2.476 179.378 176.870 0.053 0.000 1.083 520 L CA 1.973 56.845 54.840 0.053 0.000 0.752 520 L CB -0.756 41.345 42.059 0.070 0.000 0.899 520 L HN 0.286 nan 8.230 nan 0.000 0.433 521 S N -0.551 115.185 115.700 0.061 0.000 2.382 521 S HA -0.130 4.340 4.470 0.000 0.000 0.228 521 S C 1.928 176.623 174.600 0.159 0.000 1.027 521 S CA 1.466 59.730 58.200 0.105 0.000 0.991 521 S CB -0.379 62.866 63.200 0.075 0.000 0.823 521 S HN 0.451 nan 8.310 nan 0.000 0.469 522 L N 0.618 121.852 121.223 0.018 0.000 2.017 522 L HA -0.104 4.237 4.340 0.000 0.000 0.208 522 L C 2.401 179.146 176.870 -0.208 0.000 1.073 522 L CA 0.792 55.458 54.840 -0.289 0.000 0.745 522 L CB -0.521 40.936 42.059 -1.002 0.000 0.894 522 L HN 0.284 nan 8.230 nan 0.000 0.432 523 L N -0.142 121.005 121.223 -0.128 0.000 2.017 523 L HA -0.196 4.144 4.340 0.000 0.000 0.208 523 L C 2.266 179.282 176.870 0.242 0.000 1.073 523 L CA 1.801 56.780 54.840 0.230 0.000 0.745 523 L CB -0.455 41.763 42.059 0.265 0.000 0.894 523 L HN 0.108 nan 8.230 nan 0.000 0.432 524 L N -0.873 120.461 121.223 0.185 0.000 2.156 524 L HA -0.094 4.246 4.340 0.000 0.000 0.208 524 L C 2.631 179.614 176.870 0.189 0.000 1.095 524 L CA 0.877 55.835 54.840 0.196 0.000 0.770 524 L CB -0.956 41.185 42.059 0.137 0.000 0.914 524 L HN 0.374 nan 8.230 nan 0.000 0.439 525 A N 0.033 122.962 122.820 0.181 0.000 1.902 525 A HA -0.199 4.121 4.320 0.000 0.000 0.217 525 A C 2.376 180.097 177.584 0.229 0.000 1.181 525 A CA 2.353 54.508 52.037 0.196 0.000 0.623 525 A CB -0.877 18.252 19.000 0.214 0.000 0.818 525 A HN 0.345 nan 8.150 nan 0.000 0.443 526 T N -1.417 113.280 114.554 0.238 0.000 2.652 526 T HA -0.203 4.147 4.350 0.000 0.000 0.267 526 T C 1.831 176.722 174.700 0.320 0.000 1.039 526 T CA 1.698 63.956 62.100 0.264 0.000 1.153 526 T CB -0.514 68.536 68.868 0.302 0.000 0.863 526 T HN 0.765 nan 8.240 nan 0.000 0.428 527 H N 0.008 119.185 119.070 0.178 0.000 2.319 527 H HA -0.081 4.475 4.556 0.000 0.000 0.299 527 H C 2.355 177.757 175.328 0.124 0.000 1.092 527 H CA 1.094 57.222 56.048 0.134 0.000 1.302 527 H CB -0.147 29.686 29.762 0.118 0.000 1.373 527 H HN 0.133 nan 8.280 nan 0.000 0.497 528 L N 0.563 121.898 121.223 0.186 0.000 2.042 528 L HA -0.220 4.120 4.340 0.000 0.000 0.210 528 L C 2.250 179.201 176.870 0.135 0.000 1.076 528 L CA 1.818 56.713 54.840 0.092 0.000 0.749 528 L CB -1.233 40.884 42.059 0.095 0.000 0.893 528 L HN 0.378 nan 8.230 nan 0.000 0.432 529 Y N -0.550 119.806 120.300 0.093 0.000 2.081 529 Y HA -0.362 4.188 4.550 0.000 0.000 0.280 529 Y C 2.646 178.588 175.900 0.069 0.000 1.163 529 Y CA 2.324 60.472 58.100 0.080 0.000 1.135 529 Y CB -0.718 37.797 38.460 0.091 0.000 0.970 529 Y HN 0.314 nan 8.280 nan 0.000 0.498 530 C N -1.384 118.042 119.300 0.210 0.000 2.453 530 C HA -0.132 4.328 4.460 0.000 0.000 0.277 530 C C 2.864 177.856 174.990 0.002 0.000 1.262 530 C CA 0.994 60.060 59.018 0.080 0.000 1.718 530 C CB -1.258 26.561 27.740 0.131 0.000 2.031 530 C HN 0.565 nan 8.230 nan 0.000 0.480 531 V N 0.953 120.912 119.914 0.074 0.000 2.490 531 V HA -0.167 3.953 4.120 0.000 0.000 0.250 531 V C 2.163 178.242 176.094 -0.024 0.000 1.061 531 V CA 1.864 64.181 62.300 0.029 0.000 1.064 531 V CB -0.371 31.474 31.823 0.037 0.000 0.670 531 V HN 0.588 nan 8.190 nan 0.000 0.461 532 L N -0.597 120.607 121.223 -0.032 0.000 2.056 532 L HA -0.179 4.161 4.340 0.000 0.000 0.207 532 L C 2.567 179.420 176.870 -0.028 0.000 1.078 532 L CA 1.871 56.708 54.840 -0.006 0.000 0.749 532 L CB -0.666 41.335 42.059 -0.097 0.000 0.901 532 L HN 0.374 nan 8.230 nan 0.000 0.433 533 Q N 0.522 120.249 119.800 -0.121 0.000 2.061 533 Q HA -0.205 4.135 4.340 0.000 0.000 0.204 533 Q C 2.239 178.197 176.000 -0.069 0.000 0.984 533 Q CA 2.184 57.945 55.803 -0.070 0.000 0.846 533 Q CB -0.234 28.464 28.738 -0.067 0.000 0.902 533 Q HN 0.431 nan 8.270 nan 0.000 0.421 534 A N 0.157 122.921 122.820 -0.094 0.000 1.902 534 A HA -0.167 4.153 4.320 0.000 0.000 0.217 534 A C 2.140 179.593 177.584 -0.219 0.000 1.181 534 A CA 1.546 53.500 52.037 -0.137 0.000 0.623 534 A CB -0.789 18.134 19.000 -0.128 0.000 0.818 534 A HN 0.511 nan 8.150 nan 0.000 0.443 535 I N -0.187 120.261 120.570 -0.203 0.000 2.163 535 I HA -0.260 3.910 4.170 0.000 0.000 0.243 535 I C 1.937 177.951 176.117 -0.172 0.000 1.085 535 I CA 1.610 62.726 61.300 -0.308 0.000 1.347 535 I CB -0.373 37.554 38.000 -0.121 0.000 1.044 535 I HN 0.265 nan 8.210 nan 0.000 0.408 536 D N 0.587 120.963 120.400 -0.040 0.000 2.117 536 D HA -0.124 4.516 4.640 0.000 0.000 0.197 536 D C 2.340 178.456 176.300 -0.305 0.000 0.987 536 D CA 1.225 55.174 54.000 -0.085 0.000 0.829 536 D CB -0.174 40.616 40.800 -0.017 0.000 0.961 536 D HN 0.297 nan 8.370 nan 0.000 0.460 537 L N 0.148 121.213 121.223 -0.264 0.000 2.093 537 L HA -0.116 4.224 4.340 0.000 0.000 0.208 537 L C 2.520 179.246 176.870 -0.240 0.000 1.085 537 L CA 0.661 55.348 54.840 -0.255 0.000 0.755 537 L CB -0.199 41.762 42.059 -0.164 0.000 0.904 537 L HN -0.074 nan 8.230 nan 0.000 0.435 538 R N 0.652 120.974 120.500 -0.296 0.000 2.096 538 R HA -0.116 4.224 4.340 0.000 0.000 0.235 538 R C 2.239 178.309 176.300 -0.385 0.000 1.127 538 R CA 1.586 57.446 56.100 -0.399 0.000 0.968 538 R CB -0.561 29.346 30.300 -0.655 0.000 0.861 538 R HN 0.322 nan 8.270 nan 0.000 0.440 539 A N 0.264 122.981 122.820 -0.172 0.000 1.902 539 A HA -0.104 4.216 4.320 0.000 0.000 0.217 539 A C 2.239 179.848 177.584 0.043 0.000 1.181 539 A CA 1.550 53.599 52.037 0.020 0.000 0.623 539 A CB -0.577 18.570 19.000 0.244 0.000 0.818 539 A HN 0.356 nan 8.150 nan 0.000 0.443 540 I N -0.461 120.059 120.570 -0.083 0.000 2.208 540 I HA -0.300 3.870 4.170 0.000 0.000 0.245 540 I C 2.582 178.752 176.117 0.088 0.000 1.097 540 I CA 1.907 63.178 61.300 -0.048 0.000 1.363 540 I CB -0.310 37.557 38.000 -0.222 0.000 1.051 540 I HN 0.570 nan 8.210 nan 0.000 0.413 541 E N 0.952 121.181 120.200 0.047 0.000 2.058 541 E HA -0.248 4.102 4.350 0.000 0.000 0.194 541 E C 2.255 179.091 176.600 0.393 0.000 0.997 541 E CA 1.579 58.084 56.400 0.174 0.000 0.801 541 E CB -0.058 29.704 29.700 0.103 0.000 0.746 541 E HN 0.308 nan 8.360 nan 0.000 0.450 542 F N 1.687 121.653 119.950 0.027 0.000 2.134 542 F HA -0.123 4.404 4.527 0.000 0.000 0.299 542 F C 2.477 178.331 175.800 0.089 0.000 1.097 542 F CA 1.030 59.003 58.000 -0.045 0.000 1.264 542 F CB -0.745 37.982 39.000 -0.454 0.000 1.001 542 F HN 0.075 nan 8.300 nan 0.000 0.479 543 E N -0.431 119.982 120.200 0.354 0.000 2.077 543 E HA -0.238 4.112 4.350 0.000 0.000 0.193 543 E C 2.242 178.986 176.600 0.240 0.000 0.989 543 E CA 1.002 57.572 56.400 0.283 0.000 0.800 543 E CB -0.998 28.852 29.700 0.249 0.000 0.746 543 E HN 0.405 nan 8.360 nan 0.000 0.452 544 F N 2.226 122.258 119.950 0.136 0.000 2.069 544 F HA -0.200 4.327 4.527 0.000 0.000 0.298 544 F C 2.163 178.059 175.800 0.159 0.000 1.113 544 F CA 1.689 59.758 58.000 0.114 0.000 1.214 544 F CB -0.008 39.047 39.000 0.092 0.000 0.978 544 F HN -0.130 nan 8.300 nan 0.000 0.474 545 K N 0.253 120.815 120.400 0.270 0.000 2.103 545 K HA -0.205 4.115 4.320 0.000 0.000 0.207 545 K C 2.043 178.659 176.600 0.026 0.000 1.048 545 K CA 1.702 58.084 56.287 0.159 0.000 0.930 545 K CB -0.208 32.407 32.500 0.192 0.000 0.716 545 K HN 0.297 nan 8.250 nan 0.000 0.444 546 K N 0.707 121.129 120.400 0.037 0.000 2.063 546 K HA -0.195 4.125 4.320 0.000 0.000 0.208 546 K C 2.196 178.779 176.600 -0.028 0.000 1.048 546 K CA 1.474 57.768 56.287 0.012 0.000 0.928 546 K CB 0.022 32.554 32.500 0.053 0.000 0.713 546 K HN 0.238 nan 8.250 nan 0.000 0.442 547 Q N -1.051 118.711 119.800 -0.063 0.000 2.250 547 Q HA -0.027 4.313 4.340 0.000 0.000 0.200 547 Q C 1.776 177.701 176.000 -0.124 0.000 0.941 547 Q CA 0.574 56.324 55.803 -0.089 0.000 0.872 547 Q CB 0.127 28.811 28.738 -0.090 0.000 0.965 547 Q HN 0.203 nan 8.270 nan 0.000 0.480 548 F N 0.885 120.571 119.950 -0.440 0.000 2.293 548 F HA 0.068 4.595 4.527 0.000 0.000 0.297 548 F C 2.010 177.705 175.800 -0.175 0.000 1.089 548 F CA 1.108 58.841 58.000 -0.446 0.000 1.377 548 F CB -0.538 37.955 39.000 -0.845 0.000 1.051 548 F HN 0.011 nan 8.300 nan 0.000 0.511 549 G N 1.126 109.847 108.800 -0.131 0.000 2.553 549 G HA2 -0.283 3.677 3.960 0.000 0.000 0.218 549 G HA3 -0.283 3.677 3.960 0.000 0.000 0.218 549 G C -0.548 174.251 174.900 -0.168 0.000 1.195 549 G CA 1.126 46.151 45.100 -0.125 0.000 0.779 549 G HN 0.268 nan 8.290 nan 0.000 0.577 550 P HA -0.010 nan 4.420 nan 0.000 0.216 550 P C 2.183 179.385 177.300 -0.164 0.000 1.150 550 P CA 1.885 64.913 63.100 -0.120 0.000 0.837 550 P CB -0.184 31.465 31.700 -0.085 0.000 0.786 551 A N -0.731 121.936 122.820 -0.255 0.000 1.902 551 A HA -0.191 4.129 4.320 0.000 0.000 0.217 551 A C 2.196 179.569 177.584 -0.351 0.000 1.181 551 A CA 1.439 53.298 52.037 -0.298 0.000 0.623 551 A CB -1.616 17.186 19.000 -0.330 0.000 0.818 551 A HN 0.111 nan 8.150 nan 0.000 0.443 552 I N -0.524 119.749 120.570 -0.496 0.000 2.127 552 I HA -0.242 3.928 4.170 0.000 0.000 0.241 552 I C 2.397 178.496 176.117 -0.030 0.000 1.075 552 I CA 1.380 62.530 61.300 -0.250 0.000 1.334 552 I CB -0.388 37.490 38.000 -0.204 0.000 1.040 552 I HN 0.167 nan 8.210 nan 0.000 0.405 553 V N -0.022 119.857 119.914 -0.057 0.000 2.287 553 V HA -0.345 3.775 4.120 0.000 0.000 0.248 553 V C 2.604 178.699 176.094 0.001 0.000 1.053 553 V CA 2.349 64.645 62.300 -0.008 0.000 1.027 553 V CB -0.775 31.032 31.823 -0.027 0.000 0.646 553 V HN 0.510 nan 8.190 nan 0.000 0.447 554 S N -0.583 115.098 115.700 -0.031 0.000 2.368 554 S HA -0.150 4.320 4.470 0.000 0.000 0.225 554 S C 1.953 176.562 174.600 0.016 0.000 1.030 554 S CA 1.710 59.898 58.200 -0.020 0.000 0.999 554 S CB -0.325 62.849 63.200 -0.044 0.000 0.844 554 S HN 0.495 nan 8.310 nan 0.000 0.459 555 L N 0.739 121.987 121.223 0.041 0.000 2.056 555 L HA -0.005 4.335 4.340 0.000 0.000 0.207 555 L C 2.422 179.425 176.870 0.221 0.000 1.078 555 L CA 1.097 56.032 54.840 0.157 0.000 0.749 555 L CB -0.423 41.677 42.059 0.069 0.000 0.901 555 L HN 0.362 nan 8.230 nan 0.000 0.433 556 I N -0.202 120.474 120.570 0.176 0.000 2.208 556 I HA -0.325 3.845 4.170 0.000 0.000 0.245 556 I C 2.072 178.173 176.117 -0.027 0.000 1.097 556 I CA 1.274 62.575 61.300 0.002 0.000 1.363 556 I CB -0.320 37.751 38.000 0.117 0.000 1.051 556 I HN 0.305 nan 8.210 nan 0.000 0.413 557 D N 0.138 120.548 120.400 0.016 0.000 2.097 557 D HA -0.233 4.407 4.640 0.000 0.000 0.197 557 D C 2.039 178.324 176.300 -0.026 0.000 0.984 557 D CA 1.116 55.119 54.000 0.006 0.000 0.826 557 D CB -0.300 40.501 40.800 0.001 0.000 0.973 557 D HN 0.397 nan 8.370 nan 0.000 0.460 558 Q N -0.305 119.471 119.800 -0.041 0.000 2.084 558 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 558 Q C 1.891 177.756 176.000 -0.226 0.000 0.978 558 Q CA 1.297 57.029 55.803 -0.118 0.000 0.844 558 Q CB 0.098 28.763 28.738 -0.122 0.000 0.898 558 Q HN 0.477 nan 8.270 nan 0.000 0.426 559 H N -1.854 117.070 119.070 -0.243 0.000 2.415 559 H HA -0.019 4.537 4.556 0.000 0.000 0.297 559 H C 0.920 176.117 175.328 -0.218 0.000 1.048 559 H CA 1.036 56.862 56.048 -0.371 0.000 1.365 559 H CB 0.429 29.752 29.762 -0.731 0.000 1.421 559 H HN 0.306 nan 8.280 nan 0.000 0.533 560 F N -0.832 119.140 119.950 0.037 0.000 2.728 560 F HA 0.289 4.816 4.527 0.000 0.000 0.314 560 F C 2.321 178.099 175.800 -0.036 0.000 1.094 560 F CA -0.018 57.959 58.000 -0.038 0.000 1.217 560 F CB -0.500 38.419 39.000 -0.135 0.000 1.056 560 F HN 0.035 nan 8.300 nan 0.000 0.577 561 G N 0.702 109.571 108.800 0.115 0.000 2.469 561 G HA2 -0.291 3.669 3.960 0.000 0.000 0.219 561 G HA3 -0.291 3.669 3.960 0.000 0.000 0.219 561 G C 1.795 176.724 174.900 0.048 0.000 1.150 561 G CA 1.550 46.688 45.100 0.063 0.000 0.763 561 G HN 0.418 nan 8.290 nan 0.000 0.561 562 S N 0.994 116.721 115.700 0.045 0.000 2.387 562 S HA 0.378 4.848 4.470 0.000 0.000 0.226 562 S C 1.727 176.347 174.600 0.034 0.000 1.026 562 S CA 0.789 59.007 58.200 0.030 0.000 0.972 562 S CB -0.396 62.817 63.200 0.022 0.000 0.814 562 S HN 0.704 nan 8.310 nan 0.000 0.477 566 G N 2.478 111.276 108.800 -0.003 0.000 2.179 566 G HA2 -0.197 3.763 3.960 0.000 0.000 0.260 566 G HA3 -0.197 3.763 3.960 0.000 0.000 0.260 566 G C 0.339 175.235 174.900 -0.008 0.000 0.977 566 G CA 1.043 46.140 45.100 -0.005 0.000 0.641 566 G HN 1.924 nan 8.290 nan 0.000 0.533 567 S N -1.177 114.518 115.700 -0.009 0.000 2.747 567 S HA 0.686 5.156 4.470 0.000 0.000 0.300 567 S C 0.143 174.735 174.600 -0.013 0.000 1.121 567 S CA -0.013 58.179 58.200 -0.013 0.000 0.995 567 S CB 1.929 65.118 63.200 -0.019 0.000 1.113 567 S HN 0.419 nan 8.310 nan 0.000 0.547 568 N N -0.093 118.598 118.700 -0.015 0.000 2.538 568 N HA 0.354 5.094 4.740 0.000 0.000 0.291 568 N C 0.058 175.556 175.510 -0.019 0.000 1.323 568 N CA -0.215 52.826 53.050 -0.015 0.000 0.934 568 N CB -0.735 37.744 38.487 -0.013 0.000 1.255 568 N HN 0.659 nan 8.380 nan 0.000 0.509 569 L N -1.044 120.165 121.223 -0.023 0.000 2.513 569 L HA 0.285 4.625 4.340 0.000 0.000 0.222 569 L C 2.250 179.103 176.870 -0.028 0.000 1.096 569 L CA 0.008 54.829 54.840 -0.033 0.000 0.857 569 L CB 0.034 42.064 42.059 -0.048 0.000 1.026 569 L HN 0.211 nan 8.230 nan 0.000 0.469 570 R N 0.829 121.319 120.500 -0.015 0.000 2.062 570 R HA -0.163 4.177 4.340 0.000 0.000 0.231 570 R C 1.742 178.040 176.300 -0.004 0.000 1.136 570 R CA 1.884 57.981 56.100 -0.005 0.000 0.948 570 R CB -0.027 30.275 30.300 0.004 0.000 0.845 570 R HN 0.149 nan 8.270 nan 0.000 0.430 571 D N 0.310 120.706 120.400 -0.006 0.000 2.106 571 D HA -0.228 4.412 4.640 0.000 0.000 0.191 571 D C 1.699 177.993 176.300 -0.009 0.000 0.997 571 D CA 1.640 55.636 54.000 -0.006 0.000 0.834 571 D CB -0.192 40.602 40.800 -0.008 0.000 0.956 571 D HN 0.385 nan 8.370 nan 0.000 0.448 572 E N -0.431 119.760 120.200 -0.015 0.000 2.085 572 E HA -0.196 4.154 4.350 0.000 0.000 0.194 572 E C 2.112 178.700 176.600 -0.020 0.000 0.994 572 E CA 0.640 57.029 56.400 -0.019 0.000 0.801 572 E CB -0.134 29.551 29.700 -0.025 0.000 0.743 572 E HN 0.136 nan 8.360 nan 0.000 0.453 573 L N 0.350 121.558 121.223 -0.025 0.000 2.027 573 L HA -0.146 4.194 4.340 0.000 0.000 0.206 573 L C 2.328 179.201 176.870 0.004 0.000 1.074 573 L CA 1.312 56.134 54.840 -0.030 0.000 0.745 573 L CB -0.472 41.556 42.059 -0.051 0.000 0.898 573 L HN 0.026 nan 8.230 nan 0.000 0.433 574 V N -0.009 119.914 119.914 0.016 0.000 2.332 574 V HA -0.320 3.800 4.120 0.000 0.000 0.248 574 V C 2.594 178.703 176.094 0.026 0.000 1.055 574 V CA 2.088 64.409 62.300 0.035 0.000 1.038 574 V CB -0.747 31.091 31.823 0.025 0.000 0.651 574 V HN 0.632 nan 8.190 nan 0.000 0.450 575 E N 0.318 120.523 120.200 0.008 0.000 2.058 575 E HA -0.268 4.082 4.350 0.000 0.000 0.194 575 E C 2.259 178.858 176.600 -0.002 0.000 0.997 575 E CA 1.590 57.990 56.400 0.001 0.000 0.801 575 E CB -0.054 29.642 29.700 -0.006 0.000 0.746 575 E HN 0.579 nan 8.360 nan 0.000 0.450 576 K N -0.021 120.376 120.400 -0.006 0.000 2.167 576 K HA -0.031 4.289 4.320 0.000 0.000 0.203 576 K C 2.187 178.779 176.600 -0.014 0.000 1.052 576 K CA 0.804 57.080 56.287 -0.018 0.000 0.956 576 K CB 0.171 32.657 32.500 -0.023 0.000 0.735 576 K HN 0.037 nan 8.250 nan 0.000 0.451 577 V N 2.402 122.331 119.914 0.026 0.000 2.295 577 V HA -0.260 3.860 4.120 0.000 0.000 0.246 577 V C 1.783 177.906 176.094 0.048 0.000 1.049 577 V CA 1.697 64.045 62.300 0.079 0.000 1.024 577 V CB -0.497 31.446 31.823 0.199 0.000 0.648 577 V HN 0.334 nan 8.190 nan 0.000 0.447 578 N N 0.261 118.989 118.700 0.047 0.000 2.104 578 N HA -0.164 4.576 4.740 0.000 0.000 0.190 578 N C 1.810 177.315 175.510 -0.007 0.000 1.024 578 N CA 1.374 54.445 53.050 0.035 0.000 0.853 578 N CB -0.273 38.234 38.487 0.032 0.000 1.008 578 N HN 0.525 nan 8.380 nan 0.000 0.424 579 K N -0.126 120.255 120.400 -0.031 0.000 2.103 579 K HA 0.029 4.349 4.320 0.000 0.000 0.204 579 K C 1.912 178.440 176.600 -0.121 0.000 1.052 579 K CA 1.084 57.336 56.287 -0.059 0.000 0.945 579 K CB -0.117 32.350 32.500 -0.055 0.000 0.722 579 K HN 0.136 nan 8.250 nan 0.000 0.443 580 T N 2.117 116.573 114.554 -0.163 0.000 2.777 580 T HA -0.066 4.284 4.350 0.000 0.000 0.266 580 T C 1.905 176.415 174.700 -0.317 0.000 1.040 580 T CA 0.957 62.858 62.100 -0.332 0.000 1.141 580 T CB -0.158 68.492 68.868 -0.363 0.000 0.868 580 T HN 0.083 nan 8.240 nan 0.000 0.444 581 L N 0.788 121.895 121.223 -0.193 0.000 2.017 581 L HA -0.114 4.226 4.340 0.000 0.000 0.208 581 L C 3.049 179.847 176.870 -0.119 0.000 1.073 581 L CA 1.322 56.061 54.840 -0.168 0.000 0.745 581 L CB -0.709 41.299 42.059 -0.085 0.000 0.894 581 L HN 0.236 nan 8.230 nan 0.000 0.432 582 A N 0.298 123.078 122.820 -0.068 0.000 1.858 582 A HA -0.281 4.039 4.320 0.000 0.000 0.216 582 A C 2.374 179.909 177.584 -0.080 0.000 1.190 582 A CA 2.202 54.214 52.037 -0.041 0.000 0.617 582 A CB -0.507 18.484 19.000 -0.014 0.000 0.827 582 A HN 0.338 nan 8.150 nan 0.000 0.443 583 K N -0.890 119.445 120.400 -0.107 0.000 2.057 583 K HA -0.195 4.125 4.320 0.000 0.000 0.207 583 K C 2.267 178.804 176.600 -0.106 0.000 1.049 583 K CA 1.670 57.897 56.287 -0.100 0.000 0.931 583 K CB -0.123 32.309 32.500 -0.114 0.000 0.714 583 K HN 0.270 nan 8.250 nan 0.000 0.440 584 R N 0.894 121.304 120.500 -0.150 0.000 2.062 584 R HA 0.024 4.364 4.340 0.000 0.000 0.229 584 R C 2.037 178.231 176.300 -0.178 0.000 1.128 584 R CA 1.454 57.492 56.100 -0.103 0.000 0.960 584 R CB -0.692 29.572 30.300 -0.061 0.000 0.855 584 R HN 0.277 nan 8.270 nan 0.000 0.432 585 L N 0.535 121.623 121.223 -0.225 0.000 2.131 585 L HA -0.118 4.222 4.340 0.000 0.000 0.210 585 L C 2.405 179.143 176.870 -0.221 0.000 1.092 585 L CA 1.779 56.438 54.840 -0.302 0.000 0.759 585 L CB -0.506 41.363 42.059 -0.315 0.000 0.903 585 L HN 0.377 nan 8.230 nan 0.000 0.435 586 E N 0.535 120.650 120.200 -0.142 0.000 2.209 586 E HA -0.279 4.072 4.350 0.000 0.000 0.196 586 E C 1.958 178.496 176.600 -0.104 0.000 0.993 586 E CA 1.398 57.737 56.400 -0.101 0.000 0.819 586 E CB 0.120 29.782 29.700 -0.064 0.000 0.745 586 E HN 0.663 nan 8.360 nan 0.000 0.477 587 Q N -0.659 119.067 119.800 -0.123 0.000 2.247 587 Q HA 0.034 4.374 4.340 0.000 0.000 0.211 587 Q C 0.750 176.657 176.000 -0.154 0.000 0.861 587 Q CA 0.764 56.506 55.803 -0.102 0.000 0.949 587 Q CB 0.524 29.226 28.738 -0.060 0.000 1.115 587 Q HN 0.145 nan 8.270 nan 0.000 0.507 588 T N -1.027 113.356 114.554 -0.285 0.000 3.258 588 T HA 0.117 4.467 4.350 0.000 0.000 0.263 588 T C 0.646 175.191 174.700 -0.259 0.000 0.983 588 T CA -0.261 61.545 62.100 -0.490 0.000 0.907 588 T CB -0.250 68.028 68.868 -0.984 0.000 1.096 588 T HN 0.317 nan 8.240 nan 0.000 0.556 589 N N 0.753 119.373 118.700 -0.133 0.000 2.571 589 N HA -0.012 4.728 4.740 0.000 0.000 0.189 589 N C 0.924 176.436 175.510 0.003 0.000 1.154 589 N CA 0.087 53.086 53.050 -0.084 0.000 0.907 589 N CB -0.283 38.155 38.487 -0.082 0.000 0.977 589 N HN 0.362 nan 8.380 nan 0.000 0.449 590 S N -0.909 114.843 115.700 0.088 0.000 2.540 590 S HA 0.186 4.657 4.470 0.000 0.000 0.218 590 S C -0.068 174.643 174.600 0.186 0.000 0.977 590 S CA -0.600 57.674 58.200 0.124 0.000 0.918 590 S CB -0.074 63.191 63.200 0.109 0.000 0.806 590 S HN 0.323 nan 8.310 nan 0.000 0.496 591 Y N 2.276 122.545 120.300 -0.052 0.000 2.304 591 Y HA 0.201 4.751 4.550 0.000 0.000 0.327 591 Y C 0.609 176.485 175.900 -0.040 0.000 1.209 591 Y CA -1.177 56.896 58.100 -0.046 0.000 1.299 591 Y CB 0.503 38.918 38.460 -0.075 0.000 1.249 591 Y HN 0.048 nan 8.280 nan 0.000 0.519 592 D N 1.509 121.976 120.400 0.111 0.000 2.368 592 D HA -0.050 4.590 4.640 0.000 0.000 0.240 592 D C 0.875 177.242 176.300 0.112 0.000 1.169 592 D CA -0.069 53.982 54.000 0.084 0.000 0.906 592 D CB 0.895 41.730 40.800 0.058 0.000 1.187 592 D HN 0.446 nan 8.370 nan 0.000 0.435 593 L N 2.454 123.743 121.223 0.109 0.000 2.012 593 L HA -0.186 4.154 4.340 0.000 0.000 0.210 593 L C 1.913 178.927 176.870 0.241 0.000 1.073 593 L CA 1.646 56.579 54.840 0.156 0.000 0.748 593 L CB -0.313 41.843 42.059 0.161 0.000 0.891 593 L HN 0.345 nan 8.230 nan 0.000 0.431 594 V N 1.061 121.107 119.914 0.221 0.000 2.237 594 V HA -0.150 3.970 4.120 0.000 0.000 0.245 594 V C -0.242 176.060 176.094 0.345 0.000 1.046 594 V CA 2.265 64.736 62.300 0.286 0.000 1.007 594 V CB -2.052 29.905 31.823 0.224 0.000 0.638 594 V HN 0.427 nan 8.190 nan 0.000 0.445 595 P HA -0.185 nan 4.420 nan 0.000 0.220 595 P C 1.605 179.087 177.300 0.303 0.000 1.148 595 P CA 1.400 64.663 63.100 0.273 0.000 0.803 595 P CB -0.088 31.715 31.700 0.171 0.000 0.782 596 R N -0.528 120.098 120.500 0.210 0.000 2.083 596 R HA -0.154 4.186 4.340 0.000 0.000 0.237 596 R C 2.234 178.397 176.300 -0.229 0.000 1.137 596 R CA 2.007 58.055 56.100 -0.087 0.000 0.951 596 R CB -0.761 29.357 30.300 -0.303 0.000 0.851 596 R HN 0.181 nan 8.270 nan 0.000 0.434 597 W N -0.484 120.844 121.300 0.047 0.000 2.436 597 W HA -0.081 4.579 4.660 0.000 0.000 0.284 597 W C 2.403 178.947 176.519 0.041 0.000 1.225 597 W CA 0.610 57.968 57.345 0.021 0.000 1.271 597 W CB -0.145 29.287 29.460 -0.046 0.000 1.114 597 W HN 0.255 nan 8.180 nan 0.000 0.559 598 H N -0.566 118.699 119.070 0.325 0.000 2.389 598 H HA -0.176 4.380 4.556 0.000 0.000 0.299 598 H C 1.860 177.314 175.328 0.209 0.000 1.081 598 H CA 1.873 58.071 56.048 0.249 0.000 1.345 598 H CB -0.705 29.162 29.762 0.175 0.000 1.393 598 H HN 0.266 nan 8.280 nan 0.000 0.520 599 D N 0.943 121.493 120.400 0.250 0.000 2.097 599 D HA -0.126 4.514 4.640 0.000 0.000 0.195 599 D C 2.219 178.582 176.300 0.104 0.000 0.989 599 D CA 1.192 55.282 54.000 0.149 0.000 0.827 599 D CB 0.166 41.020 40.800 0.090 0.000 0.966 599 D HN 0.282 nan 8.370 nan 0.000 0.456 600 A N 0.113 122.936 122.820 0.004 0.000 1.883 600 A HA -0.154 4.166 4.320 0.000 0.000 0.217 600 A C 2.134 179.685 177.584 -0.055 0.000 1.186 600 A CA 1.197 53.179 52.037 -0.092 0.000 0.624 600 A CB -1.186 17.632 19.000 -0.303 0.000 0.822 600 A HN 0.308 nan 8.150 nan 0.000 0.444 601 F N -0.121 119.930 119.950 0.169 0.000 2.407 601 F HA -0.046 4.481 4.527 0.000 0.000 0.299 601 F C 2.829 178.748 175.800 0.198 0.000 1.097 601 F CA 1.105 59.184 58.000 0.130 0.000 1.422 601 F CB -0.273 38.690 39.000 -0.062 0.000 1.067 601 F HN 0.260 nan 8.300 nan 0.000 0.539 602 S N -0.118 115.780 115.700 0.331 0.000 2.356 602 S HA -0.223 4.247 4.470 0.000 0.000 0.223 602 S C 2.185 176.972 174.600 0.312 0.000 1.032 602 S CA 1.130 59.501 58.200 0.284 0.000 1.005 602 S CB -0.592 62.733 63.200 0.208 0.000 0.867 602 S HN 0.286 nan 8.310 nan 0.000 0.449 603 F N 2.654 122.665 119.950 0.102 0.000 2.095 603 F HA 0.044 4.571 4.527 0.000 0.000 0.298 603 F C 2.545 178.409 175.800 0.107 0.000 1.104 603 F CA 0.847 58.887 58.000 0.067 0.000 1.232 603 F CB -1.408 37.593 39.000 0.003 0.000 0.987 603 F HN 0.289 nan 8.300 nan 0.000 0.475 604 A N -0.019 122.987 122.820 0.310 0.000 1.978 604 A HA -0.062 4.258 4.320 0.000 0.000 0.220 604 A C 2.455 180.304 177.584 0.442 0.000 1.170 604 A CA 1.828 54.048 52.037 0.304 0.000 0.636 604 A CB -1.390 17.813 19.000 0.338 0.000 0.810 604 A HN 0.419 nan 8.150 nan 0.000 0.448 605 A N -0.443 122.684 122.820 0.513 0.000 1.933 605 A HA 0.118 4.438 4.320 0.000 0.000 0.218 605 A C 2.388 180.122 177.584 0.250 0.000 1.175 605 A CA 1.838 54.147 52.037 0.452 0.000 0.628 605 A CB -1.327 17.928 19.000 0.425 0.000 0.814 605 A HN 0.738 nan 8.150 nan 0.000 0.444 606 G N -1.084 107.867 108.800 0.251 0.000 2.442 606 G HA2 -0.172 3.788 3.960 0.000 0.000 0.219 606 G HA3 -0.172 3.788 3.960 0.000 0.000 0.219 606 G C 1.549 176.529 174.900 0.134 0.000 1.141 606 G CA 1.649 46.861 45.100 0.187 0.000 0.763 606 G HN 0.435 nan 8.290 nan 0.000 0.554 607 T N 0.764 115.402 114.554 0.140 0.000 2.777 607 T HA -0.084 4.266 4.350 0.000 0.000 0.266 607 T C 2.585 177.281 174.700 -0.007 0.000 1.040 607 T CA 1.125 63.259 62.100 0.057 0.000 1.141 607 T CB -0.210 68.680 68.868 0.037 0.000 0.868 607 T HN 0.076 nan 8.240 nan 0.000 0.444 608 V N 1.375 121.275 119.914 -0.023 0.000 2.332 608 V HA -0.166 3.954 4.120 0.000 0.000 0.248 608 V C 2.665 178.658 176.094 -0.168 0.000 1.055 608 V CA 1.330 63.516 62.300 -0.190 0.000 1.038 608 V CB -0.841 30.781 31.823 -0.335 0.000 0.651 608 V HN 0.307 nan 8.190 nan 0.000 0.450 609 V N -0.016 119.859 119.914 -0.066 0.000 2.324 609 V HA -0.347 3.773 4.120 0.000 0.000 0.250 609 V C 2.450 178.513 176.094 -0.051 0.000 1.060 609 V CA 2.562 64.833 62.300 -0.049 0.000 1.042 609 V CB -0.548 31.280 31.823 0.008 0.000 0.650 609 V HN 0.708 nan 8.190 nan 0.000 0.450 610 E N -0.126 120.056 120.200 -0.031 0.000 2.015 610 E HA -0.174 4.176 4.350 0.000 0.000 0.191 610 E C 2.191 178.759 176.600 -0.053 0.000 0.991 610 E CA 1.708 58.091 56.400 -0.028 0.000 0.802 610 E CB -0.059 29.637 29.700 -0.007 0.000 0.759 610 E HN 0.368 nan 8.360 nan 0.000 0.447 611 V N 1.226 121.096 119.914 -0.072 0.000 2.427 611 V HA -0.188 3.932 4.120 0.000 0.000 0.248 611 V C 1.995 178.023 176.094 -0.110 0.000 1.051 611 V CA 1.273 63.522 62.300 -0.084 0.000 1.048 611 V CB -0.241 31.528 31.823 -0.090 0.000 0.666 611 V HN 0.358 nan 8.190 nan 0.000 0.456 612 L N 0.635 121.764 121.223 -0.158 0.000 2.791 612 L HA 0.138 4.478 4.340 0.000 0.000 0.239 612 L C 2.154 178.945 176.870 -0.131 0.000 1.203 612 L CA 0.433 55.165 54.840 -0.180 0.000 1.002 612 L CB -0.115 41.752 42.059 -0.320 0.000 1.295 612 L HN 0.436 nan 8.230 nan 0.000 0.504 613 S N -0.941 114.705 115.700 -0.091 0.000 2.442 613 S HA -0.179 4.291 4.470 0.000 0.000 0.236 613 S C 2.053 176.622 174.600 -0.051 0.000 1.007 613 S CA 1.258 59.420 58.200 -0.063 0.000 0.965 613 S CB -0.284 62.891 63.200 -0.041 0.000 0.773 613 S HN 0.570 nan 8.310 nan 0.000 0.504 614 S N 1.394 117.063 115.700 -0.053 0.000 2.522 614 S HA 0.046 4.516 4.470 0.000 0.000 0.227 614 S C 1.036 175.612 174.600 -0.040 0.000 0.986 614 S CA 0.340 58.516 58.200 -0.040 0.000 0.929 614 S CB -1.051 62.128 63.200 -0.035 0.000 0.769 614 S HN 0.798 nan 8.310 nan 0.000 0.529 615 T N -0.050 114.471 114.554 -0.056 0.000 2.824 615 T HA 0.466 4.816 4.350 0.000 0.000 0.277 615 T C 1.000 175.678 174.700 -0.036 0.000 0.975 615 T CA -0.086 61.983 62.100 -0.051 0.000 0.966 615 T CB 1.288 70.108 68.868 -0.079 0.000 1.054 615 T HN 0.266 nan 8.240 nan 0.000 0.533 616 S N -0.227 115.461 115.700 -0.021 0.000 2.605 616 S HA 0.218 4.688 4.470 0.000 0.000 0.217 616 S C 0.653 175.256 174.600 0.005 0.000 0.958 616 S CA -0.623 57.574 58.200 -0.005 0.000 0.919 616 S CB -0.844 62.358 63.200 0.004 0.000 0.780 616 S HN 0.606 nan 8.310 nan 0.000 0.507 617 L N 3.554 124.773 121.223 -0.007 0.000 2.490 617 L HA 0.151 4.491 4.340 0.000 0.000 0.274 617 L C 0.995 177.883 176.870 0.030 0.000 1.201 617 L CA -0.316 54.536 54.840 0.019 0.000 0.869 617 L CB 0.379 42.422 42.059 -0.027 0.000 1.123 617 L HN 0.402 nan 8.230 nan 0.000 0.484 618 S N 3.184 118.922 115.700 0.063 0.000 2.603 618 S HA 0.277 4.747 4.470 0.000 0.000 0.268 618 S C 1.164 175.813 174.600 0.082 0.000 1.317 618 S CA -0.868 57.370 58.200 0.064 0.000 1.012 618 S CB 0.996 64.238 63.200 0.070 0.000 0.926 618 S HN 0.569 nan 8.310 nan 0.000 0.539 619 L N 1.164 122.431 121.223 0.072 0.000 2.083 619 L HA -0.103 4.237 4.340 0.000 0.000 0.209 619 L C 3.027 179.968 176.870 0.119 0.000 1.083 619 L CA 1.534 56.427 54.840 0.089 0.000 0.752 619 L CB -1.196 40.906 42.059 0.073 0.000 0.899 619 L HN 0.945 nan 8.230 nan 0.000 0.433 620 A N 0.230 123.114 122.820 0.108 0.000 1.933 620 A HA -0.169 4.151 4.320 0.000 0.000 0.218 620 A C 2.549 180.231 177.584 0.163 0.000 1.175 620 A CA 1.788 53.896 52.037 0.119 0.000 0.628 620 A CB -0.572 18.485 19.000 0.094 0.000 0.814 620 A HN 0.409 nan 8.150 nan 0.000 0.444 621 A N -0.663 122.268 122.820 0.184 0.000 1.898 621 A HA 0.056 4.376 4.320 0.000 0.000 0.216 621 A C 2.209 180.024 177.584 0.384 0.000 1.181 621 A CA 1.657 53.852 52.037 0.264 0.000 0.620 621 A CB -0.831 18.318 19.000 0.248 0.000 0.819 621 A HN 0.379 nan 8.150 nan 0.000 0.442 622 V N 0.812 120.935 119.914 0.348 0.000 2.358 622 V HA -0.234 3.886 4.120 0.000 0.000 0.246 622 V C 2.413 178.769 176.094 0.437 0.000 1.047 622 V CA 2.255 64.819 62.300 0.439 0.000 1.035 622 V CB -1.077 30.883 31.823 0.229 0.000 0.658 622 V HN 0.712 nan 8.190 nan 0.000 0.452 623 N N 0.569 119.441 118.700 0.286 0.000 2.166 623 N HA -0.120 4.620 4.740 0.000 0.000 0.186 623 N C 1.736 177.360 175.510 0.189 0.000 1.019 623 N CA 1.528 54.717 53.050 0.231 0.000 0.856 623 N CB -0.286 38.300 38.487 0.165 0.000 0.993 623 N HN 0.414 nan 8.380 nan 0.000 0.426 624 A N -0.471 122.465 122.820 0.193 0.000 1.902 624 A HA -0.143 4.177 4.320 0.000 0.000 0.217 624 A C 2.118 179.699 177.584 -0.005 0.000 1.181 624 A CA 1.511 53.632 52.037 0.139 0.000 0.623 624 A CB -1.443 17.684 19.000 0.211 0.000 0.818 624 A HN 0.674 nan 8.150 nan 0.000 0.443 625 W N 1.201 122.331 121.300 -0.284 0.000 2.333 625 W HA -0.220 4.441 4.660 0.000 0.000 0.316 625 W C 2.165 178.460 176.519 -0.374 0.000 1.215 625 W CA 2.375 59.273 57.345 -0.746 0.000 1.278 625 W CB -0.082 29.034 29.460 -0.573 0.000 1.154 625 W HN 0.235 nan 8.180 nan 0.000 0.486 626 K N 0.464 120.758 120.400 -0.176 0.000 2.044 626 K HA -0.209 4.111 4.320 0.000 0.000 0.210 626 K C 1.739 178.119 176.600 -0.366 0.000 1.049 626 K CA 2.352 58.446 56.287 -0.322 0.000 0.927 626 K CB -0.921 31.680 32.500 0.169 0.000 0.713 626 K HN 0.251 nan 8.250 nan 0.000 0.443 627 V N 1.344 121.166 119.914 -0.154 0.000 2.307 627 V HA -0.205 3.915 4.120 0.000 0.000 0.245 627 V C 2.643 178.607 176.094 -0.217 0.000 1.045 627 V CA 1.897 64.162 62.300 -0.058 0.000 1.024 627 V CB -0.815 31.044 31.823 0.060 0.000 0.651 627 V HN 0.479 nan 8.190 nan 0.000 0.449 628 A N -0.056 122.589 122.820 -0.291 0.000 1.933 628 A HA -0.106 4.214 4.320 0.000 0.000 0.218 628 A C 2.397 179.696 177.584 -0.474 0.000 1.175 628 A CA 2.084 53.949 52.037 -0.287 0.000 0.628 628 A CB -0.715 18.168 19.000 -0.194 0.000 0.814 628 A HN 0.562 nan 8.150 nan 0.000 0.444 629 A N -0.168 122.131 122.820 -0.868 0.000 1.898 629 A HA 0.210 4.530 4.320 0.000 0.000 0.216 629 A C 2.512 179.493 177.584 -1.005 0.000 1.181 629 A CA 1.947 53.282 52.037 -1.170 0.000 0.620 629 A CB -1.021 16.655 19.000 -2.207 0.000 0.819 629 A HN 1.024 nan 8.150 nan 0.000 0.442 630 A N -0.061 122.230 122.820 -0.882 0.000 1.883 630 A HA -0.205 4.115 4.320 0.000 0.000 0.217 630 A C 1.912 179.265 177.584 -0.385 0.000 1.186 630 A CA 1.763 53.522 52.037 -0.464 0.000 0.624 630 A CB -0.611 18.013 19.000 -0.628 0.000 0.822 630 A HN 0.632 nan 8.150 nan 0.000 0.444 631 E N -0.591 119.425 120.200 -0.306 0.000 2.085 631 E HA -0.163 4.187 4.350 0.000 0.000 0.194 631 E C 2.304 178.794 176.600 -0.183 0.000 0.994 631 E CA 1.258 57.560 56.400 -0.163 0.000 0.801 631 E CB -0.186 29.464 29.700 -0.082 0.000 0.743 631 E HN 0.615 nan 8.360 nan 0.000 0.453 632 S N 0.312 115.882 115.700 -0.216 0.000 2.356 632 S HA -0.174 4.296 4.470 0.000 0.000 0.223 632 S C 2.103 176.567 174.600 -0.226 0.000 1.032 632 S CA 1.228 59.342 58.200 -0.143 0.000 1.005 632 S CB -0.156 62.997 63.200 -0.078 0.000 0.867 632 S HN 0.331 nan 8.310 nan 0.000 0.449 633 A N 1.165 123.687 122.820 -0.497 0.000 1.933 633 A HA 0.043 4.363 4.320 0.000 0.000 0.218 633 A C 2.126 179.193 177.584 -0.861 0.000 1.175 633 A CA 1.435 52.789 52.037 -1.139 0.000 0.628 633 A CB -0.737 16.938 19.000 -2.207 0.000 0.814 633 A HN 0.631 nan 8.150 nan 0.000 0.444 634 I N -0.163 120.062 120.570 -0.576 0.000 2.179 634 I HA -0.236 3.934 4.170 0.000 0.000 0.242 634 I C 2.713 178.763 176.117 -0.111 0.000 1.088 634 I CA 1.548 62.706 61.300 -0.237 0.000 1.357 634 I CB -0.318 37.646 38.000 -0.060 0.000 1.051 634 I HN 0.237 nan 8.210 nan 0.000 0.409 635 S N 0.847 116.489 115.700 -0.098 0.000 2.356 635 S HA -0.182 4.289 4.470 0.000 0.000 0.223 635 S C 1.918 176.515 174.600 -0.006 0.000 1.032 635 S CA 1.251 59.432 58.200 -0.030 0.000 1.005 635 S CB -0.498 62.686 63.200 -0.027 0.000 0.867 635 S HN 0.298 nan 8.310 nan 0.000 0.449 636 L N 2.009 123.215 121.223 -0.029 0.000 2.046 636 L HA -0.091 4.249 4.340 0.000 0.000 0.208 636 L C 2.241 179.214 176.870 0.170 0.000 1.077 636 L CA 1.883 56.749 54.840 0.044 0.000 0.747 636 L CB -1.510 40.529 42.059 -0.032 0.000 0.896 636 L HN 0.215 nan 8.230 nan 0.000 0.432 637 T N -0.293 114.353 114.554 0.154 0.000 2.684 637 T HA -0.207 4.143 4.350 0.000 0.000 0.267 637 T C 1.992 176.747 174.700 0.091 0.000 1.036 637 T CA 1.759 63.913 62.100 0.091 0.000 1.148 637 T CB -0.215 68.613 68.868 -0.067 0.000 0.863 637 T HN 0.374 nan 8.240 nan 0.000 0.436 638 R N 1.072 121.616 120.500 0.074 0.000 2.096 638 R HA -0.135 4.205 4.340 0.000 0.000 0.235 638 R C 2.848 179.218 176.300 0.118 0.000 1.127 638 R CA 1.592 57.749 56.100 0.094 0.000 0.968 638 R CB -0.321 30.033 30.300 0.090 0.000 0.861 638 R HN 0.684 nan 8.270 nan 0.000 0.440 639 Q N 0.324 120.189 119.800 0.107 0.000 2.123 639 Q HA -0.070 4.270 4.340 0.000 0.000 0.199 639 Q C 1.930 178.010 176.000 0.133 0.000 0.966 639 Q CA 1.479 57.348 55.803 0.110 0.000 0.845 639 Q CB -0.268 28.519 28.738 0.082 0.000 0.907 639 Q HN 0.098 nan 8.270 nan 0.000 0.439 640 V N 1.440 121.444 119.914 0.151 0.000 2.358 640 V HA -0.216 3.904 4.120 0.000 0.000 0.246 640 V C 2.474 178.669 176.094 0.168 0.000 1.047 640 V CA 2.099 64.498 62.300 0.166 0.000 1.035 640 V CB -0.632 31.320 31.823 0.215 0.000 0.658 640 V HN 0.342 nan 8.190 nan 0.000 0.452 641 R N -0.285 120.315 120.500 0.166 0.000 2.073 641 R HA -0.149 4.191 4.340 0.000 0.000 0.234 641 R C 2.411 178.926 176.300 0.359 0.000 1.134 641 R CA 1.427 57.666 56.100 0.232 0.000 0.952 641 R CB -0.310 30.118 30.300 0.214 0.000 0.850 641 R HN 0.430 nan 8.270 nan 0.000 0.433 642 E N -0.003 120.362 120.200 0.274 0.000 2.110 642 E HA -0.125 4.225 4.350 0.000 0.000 0.193 642 E C 2.012 178.750 176.600 0.230 0.000 0.988 642 E CA 1.432 57.995 56.400 0.272 0.000 0.804 642 E CB -0.223 29.593 29.700 0.194 0.000 0.745 642 E HN 0.296 nan 8.360 nan 0.000 0.458 643 T N 1.066 115.730 114.554 0.183 0.000 2.708 643 T HA -0.157 4.193 4.350 0.000 0.000 0.266 643 T C 1.616 176.393 174.700 0.129 0.000 1.037 643 T CA 1.253 63.436 62.100 0.137 0.000 1.146 643 T CB -0.455 68.486 68.868 0.122 0.000 0.865 643 T HN 0.174 nan 8.240 nan 0.000 0.435 644 F N 0.214 120.145 119.950 -0.031 0.000 2.069 644 F HA -0.106 4.421 4.527 0.000 0.000 0.298 644 F C 1.800 177.491 175.800 -0.182 0.000 1.113 644 F CA 1.328 59.217 58.000 -0.185 0.000 1.214 644 F CB -0.424 38.335 39.000 -0.403 0.000 0.978 644 F HN 0.216 nan 8.300 nan 0.000 0.474 645 W N 0.140 121.534 121.300 0.157 0.000 2.584 645 W HA -0.020 4.640 4.660 0.000 0.000 0.264 645 W C 2.692 179.194 176.519 -0.029 0.000 1.264 645 W CA 0.898 58.261 57.345 0.030 0.000 1.306 645 W CB -0.517 29.031 29.460 0.147 0.000 1.110 645 W HN 0.148 nan 8.180 nan 0.000 0.606 646 S N -0.715 115.099 115.700 0.191 0.000 2.558 646 S HA 0.407 4.877 4.470 0.000 0.000 0.217 646 S C 0.762 175.387 174.600 0.042 0.000 0.975 646 S CA 0.066 58.341 58.200 0.124 0.000 0.912 646 S CB -0.255 63.018 63.200 0.121 0.000 0.776 646 S HN -0.003 nan 8.310 nan 0.000 0.526 647 A N 1.149 123.953 122.820 -0.027 0.000 2.311 647 A HA 0.878 5.198 4.320 0.000 0.000 0.334 647 A C 0.372 177.887 177.584 -0.115 0.000 1.139 647 A CA -0.470 51.529 52.037 -0.063 0.000 0.830 647 A CB 0.690 19.644 19.000 -0.077 0.000 1.234 647 A HN 0.724 nan 8.150 nan 0.000 0.483 648 A N 0.467 123.239 122.820 -0.080 0.000 2.448 648 A HA 0.412 4.732 4.320 0.000 0.000 0.239 648 A C 1.549 179.050 177.584 -0.140 0.000 1.080 648 A CA 0.424 52.410 52.037 -0.084 0.000 0.779 648 A CB -0.258 18.716 19.000 -0.044 0.000 1.026 648 A HN 1.920 nan 8.150 nan 0.000 0.499 649 S N 0.237 115.861 115.700 -0.126 0.000 2.442 649 S HA -0.181 4.289 4.470 0.000 0.000 0.236 649 S C 1.475 176.062 174.600 -0.022 0.000 1.007 649 S CA 1.726 59.855 58.200 -0.119 0.000 0.965 649 S CB -1.220 61.929 63.200 -0.084 0.000 0.773 649 S HN 1.158 nan 8.310 nan 0.000 0.504 650 T N -0.801 113.744 114.554 -0.016 0.000 3.051 650 T HA 0.086 4.436 4.350 0.000 0.000 0.269 650 T C 1.416 176.117 174.700 0.002 0.000 1.127 650 T CA 1.099 63.208 62.100 0.014 0.000 1.107 650 T CB -0.460 68.412 68.868 0.006 0.000 0.898 650 T HN 0.382 nan 8.240 nan 0.000 0.517 651 S N 0.989 116.669 115.700 -0.033 0.000 2.568 651 S HA 0.330 4.800 4.470 0.000 0.000 0.232 651 S C 0.722 175.300 174.600 -0.036 0.000 0.975 651 S CA -0.483 57.695 58.200 -0.037 0.000 0.949 651 S CB 0.123 63.294 63.200 -0.049 0.000 0.829 651 S HN 0.591 nan 8.310 nan 0.000 0.479 652 S N 3.614 119.303 115.700 -0.017 0.000 2.552 652 S HA 0.079 4.549 4.470 0.000 0.000 0.289 652 S C -1.171 173.481 174.600 0.087 0.000 1.304 652 S CA -1.067 57.162 58.200 0.049 0.000 1.063 652 S CB 0.712 64.035 63.200 0.204 0.000 0.848 652 S HN 0.168 nan 8.310 nan 0.000 0.499 653 P HA -0.031 nan 4.420 nan 0.000 0.225 653 P C 1.171 178.545 177.300 0.123 0.000 1.148 653 P CA 1.115 64.297 63.100 0.137 0.000 0.779 653 P CB -0.189 31.659 31.700 0.246 0.000 0.780 654 A N 0.653 123.562 122.820 0.149 0.000 1.978 654 A HA -0.158 4.162 4.320 0.000 0.000 0.220 654 A C 2.282 179.791 177.584 -0.125 0.000 1.170 654 A CA 1.303 53.395 52.037 0.092 0.000 0.636 654 A CB -1.619 17.316 19.000 -0.110 0.000 0.810 654 A HN 0.182 nan 8.150 nan 0.000 0.448 655 L N -0.334 120.778 121.223 -0.185 0.000 2.353 655 L HA -0.124 4.217 4.340 0.000 0.000 0.220 655 L C 2.387 179.125 176.870 -0.219 0.000 1.133 655 L CA 1.086 55.813 54.840 -0.189 0.000 0.798 655 L CB -0.340 41.655 42.059 -0.108 0.000 0.922 655 L HN 0.286 nan 8.230 nan 0.000 0.445 656 S N -1.424 114.073 115.700 -0.340 0.000 2.489 656 S HA -0.043 4.427 4.470 0.000 0.000 0.228 656 S C 1.183 175.331 174.600 -0.754 0.000 0.995 656 S CA 0.808 58.646 58.200 -0.604 0.000 0.934 656 S CB -0.003 62.653 63.200 -0.908 0.000 0.771 656 S HN 0.436 nan 8.310 nan 0.000 0.522 657 Y N -0.106 120.016 120.300 -0.296 0.000 2.441 657 Y HA 0.445 4.995 4.550 0.000 0.000 0.266 657 Y C 0.535 176.170 175.900 -0.441 0.000 1.093 657 Y CA -0.863 56.920 58.100 -0.529 0.000 1.246 657 Y CB -0.111 37.612 38.460 -1.228 0.000 1.262 657 Y HN 0.017 nan 8.280 nan 0.000 0.518 658 L N 0.644 121.812 121.223 -0.091 0.000 2.483 658 L HA 0.065 4.405 4.340 0.000 0.000 0.275 658 L C 0.891 177.792 176.870 0.053 0.000 1.220 658 L CA 0.022 54.917 54.840 0.091 0.000 0.833 658 L CB 0.370 42.451 42.059 0.036 0.000 1.102 658 L HN 0.035 nan 8.230 nan 0.000 0.490 659 S N 3.078 118.842 115.700 0.108 0.000 2.558 659 S HA 0.002 4.472 4.470 0.000 0.000 0.287 659 S C -1.234 173.392 174.600 0.042 0.000 1.321 659 S CA -0.889 57.358 58.200 0.078 0.000 1.048 659 S CB 0.677 63.930 63.200 0.089 0.000 0.844 659 S HN 0.514 nan 8.310 nan 0.000 0.512 660 P HA -0.110 nan 4.420 nan 0.000 0.219 660 P C 0.910 178.225 177.300 0.025 0.000 1.146 660 P CA 1.173 64.282 63.100 0.015 0.000 0.808 660 P CB 0.184 31.887 31.700 0.006 0.000 0.779 661 R N -0.335 120.181 120.500 0.027 0.000 2.100 661 R HA -0.002 4.338 4.340 0.000 0.000 0.220 661 R C 2.459 178.780 176.300 0.035 0.000 1.091 661 R CA 1.885 57.998 56.100 0.022 0.000 0.986 661 R CB -0.976 29.330 30.300 0.010 0.000 0.888 661 R HN 0.304 nan 8.270 nan 0.000 0.444 662 T N -1.636 112.947 114.554 0.050 0.000 3.023 662 T HA -0.117 4.233 4.350 0.000 0.000 0.266 662 T C 1.852 176.616 174.700 0.106 0.000 1.093 662 T CA 0.555 62.696 62.100 0.069 0.000 1.129 662 T CB 0.034 68.947 68.868 0.075 0.000 0.899 662 T HN 0.170 nan 8.240 nan 0.000 0.491 663 Q N 0.674 120.525 119.800 0.085 0.000 2.181 663 Q HA -0.070 4.270 4.340 0.000 0.000 0.205 663 Q C 2.130 178.227 176.000 0.162 0.000 0.980 663 Q CA 1.271 57.135 55.803 0.102 0.000 0.862 663 Q CB -0.497 28.263 28.738 0.036 0.000 0.905 663 Q HN 0.669 nan 8.270 nan 0.000 0.429 664 I N 0.217 120.854 120.570 0.112 0.000 2.163 664 I HA -0.306 3.864 4.170 0.000 0.000 0.243 664 I C 2.210 178.419 176.117 0.154 0.000 1.085 664 I CA 0.761 62.125 61.300 0.106 0.000 1.347 664 I CB -0.280 37.747 38.000 0.046 0.000 1.044 664 I HN 0.308 nan 8.210 nan 0.000 0.408 665 L N -0.124 121.187 121.223 0.145 0.000 2.072 665 L HA -0.214 4.126 4.340 0.000 0.000 0.205 665 L C 2.409 179.426 176.870 0.244 0.000 1.079 665 L CA 1.698 56.644 54.840 0.177 0.000 0.752 665 L CB -1.012 41.114 42.059 0.111 0.000 0.906 665 L HN 0.235 nan 8.230 nan 0.000 0.436 666 Y N 0.267 120.629 120.300 0.102 0.000 2.097 666 Y HA -0.313 4.237 4.550 0.000 0.000 0.282 666 Y C 2.417 178.371 175.900 0.091 0.000 1.152 666 Y CA 2.384 60.536 58.100 0.086 0.000 1.136 666 Y CB -0.460 38.045 38.460 0.076 0.000 0.975 666 Y HN 0.228 nan 8.280 nan 0.000 0.498 667 A N -0.089 122.919 122.820 0.314 0.000 1.940 667 A HA -0.235 4.085 4.320 0.000 0.000 0.219 667 A C 2.160 179.819 177.584 0.125 0.000 1.176 667 A CA 1.618 53.772 52.037 0.194 0.000 0.631 667 A CB -1.563 17.559 19.000 0.203 0.000 0.814 667 A HN 0.681 nan 8.150 nan 0.000 0.446 668 F N 0.722 120.688 119.950 0.025 0.000 2.095 668 F HA -0.166 4.362 4.527 0.000 0.000 0.298 668 F C 2.199 177.988 175.800 -0.018 0.000 1.104 668 F CA 2.076 60.080 58.000 0.007 0.000 1.232 668 F CB -0.375 38.634 39.000 0.015 0.000 0.987 668 F HN 0.033 nan 8.300 nan 0.000 0.475 669 V N 0.767 120.612 119.914 -0.114 0.000 2.346 669 V HA -0.167 3.953 4.120 0.000 0.000 0.244 669 V C 2.626 178.574 176.094 -0.244 0.000 1.037 669 V CA 1.711 63.866 62.300 -0.242 0.000 1.029 669 V CB -0.576 31.196 31.823 -0.085 0.000 0.663 669 V HN 0.210 nan 8.190 nan 0.000 0.454 670 R N -0.147 120.194 120.500 -0.265 0.000 2.092 670 R HA -0.062 4.278 4.340 0.000 0.000 0.231 670 R C 2.161 178.367 176.300 -0.158 0.000 1.119 670 R CA 1.135 57.079 56.100 -0.261 0.000 0.970 670 R CB -0.186 29.842 30.300 -0.455 0.000 0.864 670 R HN 0.522 nan 8.270 nan 0.000 0.440 671 E N 0.178 120.301 120.200 -0.128 0.000 2.083 671 E HA 0.007 4.357 4.350 0.000 0.000 0.193 671 E C 1.931 178.467 176.600 -0.106 0.000 0.950 671 E CA 0.545 56.898 56.400 -0.078 0.000 0.849 671 E CB -0.173 29.515 29.700 -0.020 0.000 0.827 671 E HN 0.311 nan 8.360 nan 0.000 0.465 672 E N 0.863 120.972 120.200 -0.152 0.000 2.106 672 E HA -0.029 4.321 4.350 0.000 0.000 0.192 672 E C 2.078 178.519 176.600 -0.265 0.000 0.984 672 E CA 0.630 56.920 56.400 -0.184 0.000 0.806 672 E CB 0.062 29.654 29.700 -0.178 0.000 0.750 672 E HN 0.122 nan 8.360 nan 0.000 0.458 673 L N -0.661 120.325 121.223 -0.395 0.000 2.509 673 L HA 0.140 4.480 4.340 0.000 0.000 0.222 673 L C 1.461 178.241 176.870 -0.151 0.000 1.123 673 L CA 0.446 55.107 54.840 -0.299 0.000 0.856 673 L CB -0.078 41.758 42.059 -0.371 0.000 0.985 673 L HN 0.293 nan 8.230 nan 0.000 0.456 674 G N 0.700 109.422 108.800 -0.130 0.000 2.153 674 G HA2 -0.253 3.707 3.960 0.000 0.000 0.252 674 G HA3 -0.253 3.707 3.960 0.000 0.000 0.252 674 G C 0.198 175.075 174.900 -0.037 0.000 0.994 674 G CA 0.129 45.188 45.100 -0.068 0.000 0.698 674 G HN 0.144 nan 8.290 nan 0.000 0.521 675 V N 1.925 121.809 119.914 -0.050 0.000 2.353 675 V HA 0.414 4.534 4.120 0.000 0.000 0.264 675 V C 0.373 176.457 176.094 -0.016 0.000 1.049 675 V CA -0.523 61.784 62.300 0.011 0.000 0.896 675 V CB 1.223 33.072 31.823 0.043 0.000 1.025 675 V HN 0.218 nan 8.190 nan 0.000 0.475 676 K N 3.129 123.553 120.400 0.040 0.000 2.095 676 K HA 0.716 5.036 4.320 0.000 0.000 0.252 676 K C 0.368 177.028 176.600 0.100 0.000 0.977 676 K CA -0.503 55.813 56.287 0.050 0.000 0.900 676 K CB 1.647 34.207 32.500 0.099 0.000 1.060 676 K HN 0.657 nan 8.250 nan 0.000 0.449 677 A N 1.607 124.512 122.820 0.142 0.000 2.547 677 A HA 0.046 4.366 4.320 0.000 0.000 0.233 677 A C 0.157 178.022 177.584 0.468 0.000 1.067 677 A CA 0.311 52.514 52.037 0.278 0.000 0.763 677 A CB 0.069 19.260 19.000 0.319 0.000 1.007 677 A HN 0.618 nan 8.150 nan 0.000 0.506 678 R N 1.045 121.779 120.500 0.391 0.000 2.393 678 R HA 0.375 4.715 4.340 0.000 0.000 0.315 678 R C 0.778 177.058 176.300 -0.034 0.000 0.952 678 R CA -0.578 55.589 56.100 0.112 0.000 0.842 678 R CB 0.846 31.050 30.300 -0.160 0.000 1.163 678 R HN 0.912 nan 8.270 nan 0.000 0.450 679 R N 2.320 122.584 120.500 -0.392 0.000 2.127 679 R HA 0.148 4.488 4.340 0.000 0.000 0.217 679 R C -0.190 175.875 176.300 -0.393 0.000 1.074 679 R CA 1.099 56.756 56.100 -0.739 0.000 0.991 679 R CB 0.389 29.842 30.300 -1.410 0.000 0.895 679 R HN 0.852 nan 8.270 nan 0.000 0.450 680 G N 0.308 108.951 108.800 -0.261 0.000 2.957 680 G HA2 -0.100 3.860 3.960 0.000 0.000 0.636 680 G HA3 -0.100 3.860 3.960 0.000 0.000 0.636 680 G C -0.875 173.978 174.900 -0.078 0.000 1.401 680 G CA -0.417 44.590 45.100 -0.156 0.000 0.941 680 G HN 0.100 nan 8.290 nan 0.000 0.610 681 D N 0.627 120.983 120.400 -0.074 0.000 2.123 681 D HA -0.111 4.529 4.640 0.000 0.000 0.196 681 D C 2.690 178.964 176.300 -0.043 0.000 0.992 681 D CA 1.703 55.672 54.000 -0.051 0.000 0.833 681 D CB 0.134 40.910 40.800 -0.041 0.000 0.954 681 D HN 0.352 nan 8.370 nan 0.000 0.455 682 V N 0.505 120.394 119.914 -0.043 0.000 2.323 682 V HA -0.184 3.936 4.120 0.000 0.000 0.244 682 V C 2.108 178.178 176.094 -0.039 0.000 1.041 682 V CA 1.100 63.373 62.300 -0.045 0.000 1.025 682 V CB -0.589 31.201 31.823 -0.055 0.000 0.656 682 V HN 0.086 nan 8.190 nan 0.000 0.451 683 F N 0.629 120.506 119.950 -0.123 0.000 2.120 683 F HA -0.215 4.312 4.527 0.000 0.000 0.300 683 F C 1.965 177.692 175.800 -0.122 0.000 1.095 683 F CA 1.811 59.737 58.000 -0.123 0.000 1.249 683 F CB -0.167 38.737 39.000 -0.159 0.000 0.995 683 F HN 0.035 nan 8.300 nan 0.000 0.480 684 L N -0.124 121.081 121.223 -0.031 0.000 2.395 684 L HA 0.118 4.458 4.340 0.000 0.000 0.218 684 L C 1.752 178.539 176.870 -0.137 0.000 1.130 684 L CA 0.641 55.426 54.840 -0.091 0.000 0.826 684 L CB -1.189 40.852 42.059 -0.032 0.000 0.941 684 L HN 0.412 nan 8.230 nan 0.000 0.451 685 G N 1.374 110.097 108.800 -0.129 0.000 2.283 685 G HA2 -0.332 3.628 3.960 0.000 0.000 0.280 685 G HA3 -0.332 3.628 3.960 0.000 0.000 0.280 685 G C 0.143 175.002 174.900 -0.068 0.000 1.029 685 G CA 0.618 45.657 45.100 -0.101 0.000 0.840 685 G HN 0.409 nan 8.290 nan 0.000 0.505 686 K N -0.360 120.007 120.400 -0.056 0.000 2.535 686 K HA 0.337 4.658 4.320 0.000 0.000 0.251 686 K C -0.316 176.265 176.600 -0.032 0.000 0.942 686 K CA -0.673 55.590 56.287 -0.040 0.000 0.798 686 K CB 1.092 33.570 32.500 -0.037 0.000 1.267 686 K HN 0.183 nan 8.250 nan 0.000 0.434 687 Q N 3.253 123.039 119.800 -0.023 0.000 2.472 687 Q HA 0.105 4.446 4.340 0.000 0.000 0.227 687 Q C -0.642 175.352 176.000 -0.011 0.000 1.156 687 Q CA -0.026 55.767 55.803 -0.016 0.000 0.924 687 Q CB 0.914 29.646 28.738 -0.011 0.000 1.354 687 Q HN 0.398 nan 8.270 nan 0.000 0.525 688 E N 0.905 121.098 120.200 -0.012 0.000 2.371 688 E HA 0.128 4.478 4.350 0.000 0.000 0.257 688 E C -0.082 176.522 176.600 0.007 0.000 1.134 688 E CA -0.529 55.869 56.400 -0.003 0.000 0.919 688 E CB 1.064 30.762 29.700 -0.004 0.000 1.025 688 E HN 0.224 nan 8.360 nan 0.000 0.438 689 V N 2.354 122.276 119.914 0.014 0.000 2.726 689 V HA -0.120 4.000 4.120 0.000 0.000 0.304 689 V C 0.869 176.979 176.094 0.025 0.000 1.115 689 V CA 0.732 63.044 62.300 0.020 0.000 1.264 689 V CB -0.087 31.751 31.823 0.025 0.000 0.867 689 V HN 0.815 nan 8.190 nan 0.000 0.498 690 T N 3.057 117.621 114.554 0.018 0.000 2.813 690 T HA 0.335 4.685 4.350 0.000 0.000 0.297 690 T C 1.254 175.961 174.700 0.011 0.000 1.036 690 T CA -0.429 61.679 62.100 0.014 0.000 1.044 690 T CB 0.598 69.467 68.868 0.003 0.000 0.993 690 T HN 0.359 nan 8.240 nan 0.000 0.535 691 I N 1.511 122.082 120.570 0.002 0.000 2.194 691 I HA -0.113 4.057 4.170 0.000 0.000 0.246 691 I C 2.853 178.869 176.117 -0.167 0.000 1.093 691 I CA 1.860 63.110 61.300 -0.083 0.000 1.355 691 I CB -0.959 37.004 38.000 -0.062 0.000 1.046 691 I HN 0.957 nan 8.210 nan 0.000 0.413 692 G N -0.276 108.468 108.800 -0.093 0.000 2.440 692 G HA2 -0.241 3.720 3.960 0.000 0.000 0.218 692 G HA3 -0.241 3.720 3.960 0.000 0.000 0.218 692 G C 1.757 176.628 174.900 -0.049 0.000 1.154 692 G CA 1.003 46.057 45.100 -0.077 0.000 0.767 692 G HN 0.370 nan 8.290 nan 0.000 0.552 693 S N 0.773 116.460 115.700 -0.022 0.000 2.383 693 S HA -0.136 4.334 4.470 0.000 0.000 0.229 693 S C 2.189 176.801 174.600 0.020 0.000 1.030 693 S CA 1.526 59.728 58.200 0.004 0.000 1.002 693 S CB -0.328 62.880 63.200 0.014 0.000 0.829 693 S HN 0.611 nan 8.310 nan 0.000 0.467 694 N N 0.598 119.311 118.700 0.022 0.000 2.135 694 N HA -0.027 4.713 4.740 0.000 0.000 0.186 694 N C 1.645 177.202 175.510 0.079 0.000 1.027 694 N CA 1.051 54.150 53.050 0.081 0.000 0.849 694 N CB -0.237 38.367 38.487 0.196 0.000 1.002 694 N HN 0.089 nan 8.380 nan 0.000 0.425 695 V N 0.854 120.745 119.914 -0.037 0.000 2.332 695 V HA -0.257 3.863 4.120 0.000 0.000 0.248 695 V C 2.108 178.247 176.094 0.076 0.000 1.055 695 V CA 1.646 63.948 62.300 0.004 0.000 1.038 695 V CB -0.692 31.070 31.823 -0.101 0.000 0.651 695 V HN 0.303 nan 8.190 nan 0.000 0.450 696 S N -0.484 115.242 115.700 0.044 0.000 2.374 696 S HA -0.273 4.197 4.470 0.000 0.000 0.227 696 S C 1.970 176.661 174.600 0.152 0.000 1.037 696 S CA 1.746 59.999 58.200 0.090 0.000 1.024 696 S CB -0.332 62.893 63.200 0.043 0.000 0.861 696 S HN 0.622 nan 8.310 nan 0.000 0.456 697 K N 0.610 121.071 120.400 0.101 0.000 2.097 697 K HA 0.004 4.324 4.320 0.000 0.000 0.206 697 K C 1.966 178.618 176.600 0.087 0.000 1.049 697 K CA 1.106 57.440 56.287 0.078 0.000 0.933 697 K CB -0.310 32.214 32.500 0.040 0.000 0.717 697 K HN 0.378 nan 8.250 nan 0.000 0.442 698 I N -0.115 120.527 120.570 0.120 0.000 2.163 698 I HA -0.293 3.877 4.170 0.000 0.000 0.240 698 I C 2.367 178.582 176.117 0.163 0.000 1.081 698 I CA 1.181 62.564 61.300 0.137 0.000 1.353 698 I CB -0.456 37.643 38.000 0.166 0.000 1.054 698 I HN 0.114 nan 8.210 nan 0.000 0.407 699 Y N 2.185 122.516 120.300 0.053 0.000 2.102 699 Y HA -0.337 4.213 4.550 0.000 0.000 0.280 699 Y C 2.438 178.360 175.900 0.038 0.000 1.178 699 Y CA 2.016 60.135 58.100 0.032 0.000 1.146 699 Y CB -0.355 38.106 38.460 0.002 0.000 0.968 699 Y HN 0.190 nan 8.280 nan 0.000 0.504 700 E N -0.131 120.108 120.200 0.065 0.000 2.110 700 E HA -0.187 4.163 4.350 0.000 0.000 0.193 700 E C 2.340 178.913 176.600 -0.045 0.000 0.988 700 E CA 0.888 57.265 56.400 -0.040 0.000 0.804 700 E CB -0.340 29.402 29.700 0.070 0.000 0.745 700 E HN 0.607 nan 8.360 nan 0.000 0.458 701 A N 0.868 123.709 122.820 0.034 0.000 2.015 701 A HA -0.132 4.188 4.320 0.000 0.000 0.219 701 A C 2.082 179.711 177.584 0.076 0.000 1.163 701 A CA 0.858 52.958 52.037 0.106 0.000 0.646 701 A CB -0.404 18.727 19.000 0.218 0.000 0.806 701 A HN 0.125 nan 8.150 nan 0.000 0.448 702 I N -0.688 119.885 120.570 0.006 0.000 2.193 702 I HA -0.183 3.987 4.170 0.000 0.000 0.240 702 I C 2.251 178.308 176.117 -0.100 0.000 1.084 702 I CA 1.051 62.330 61.300 -0.035 0.000 1.365 702 I CB -0.194 37.782 38.000 -0.040 0.000 1.064 702 I HN 0.093 nan 8.210 nan 0.000 0.410 703 K N 0.864 121.120 120.400 -0.240 0.000 2.147 703 K HA -0.106 4.214 4.320 0.000 0.000 0.205 703 K C 2.209 178.746 176.600 -0.104 0.000 1.049 703 K CA 1.781 57.925 56.287 -0.239 0.000 0.936 703 K CB -0.636 31.597 32.500 -0.444 0.000 0.722 703 K HN 0.429 nan 8.250 nan 0.000 0.446 704 S N -0.682 114.976 115.700 -0.070 0.000 2.489 704 S HA 0.042 4.512 4.470 0.000 0.000 0.228 704 S C 1.521 176.130 174.600 0.016 0.000 0.995 704 S CA 0.920 59.110 58.200 -0.017 0.000 0.934 704 S CB -0.117 63.086 63.200 0.006 0.000 0.771 704 S HN 0.413 nan 8.310 nan 0.000 0.522 705 G N 1.790 110.604 108.800 0.023 0.000 2.179 705 G HA2 -0.370 3.590 3.960 0.000 0.000 0.260 705 G HA3 -0.370 3.590 3.960 0.000 0.000 0.260 705 G C 0.815 175.734 174.900 0.032 0.000 0.977 705 G CA 0.483 45.611 45.100 0.046 0.000 0.641 705 G HN 0.567 nan 8.290 nan 0.000 0.533 706 R N 0.079 120.612 120.500 0.056 0.000 2.117 706 R HA 0.045 4.385 4.340 0.000 0.000 0.243 706 R C 2.470 178.757 176.300 -0.021 0.000 1.143 706 R CA 1.810 57.961 56.100 0.086 0.000 0.968 706 R CB -0.282 30.143 30.300 0.207 0.000 0.863 706 R HN 0.603 nan 8.270 nan 0.000 0.444 707 I N 1.118 121.665 120.570 -0.039 0.000 2.830 707 I HA -0.219 3.951 4.170 0.000 0.000 0.263 707 I C 0.877 176.847 176.117 -0.244 0.000 1.230 707 I CA 0.766 61.911 61.300 -0.259 0.000 1.480 707 I CB -0.083 37.887 38.000 -0.050 0.000 1.095 707 I HN 0.259 nan 8.210 nan 0.000 0.455 708 N N 1.457 120.080 118.700 -0.129 0.000 2.084 708 N HA -0.191 4.549 4.740 0.000 0.000 0.190 708 N C 1.455 176.891 175.510 -0.124 0.000 1.030 708 N CA 1.329 54.316 53.050 -0.105 0.000 0.849 708 N CB -0.690 37.764 38.487 -0.054 0.000 1.012 708 N HN 0.355 nan 8.380 nan 0.000 0.423 709 N N 0.476 119.100 118.700 -0.126 0.000 2.381 709 N HA -0.044 4.696 4.740 0.000 0.000 0.182 709 N C 1.723 177.138 175.510 -0.158 0.000 1.025 709 N CA 0.287 53.267 53.050 -0.115 0.000 0.888 709 N CB -0.175 38.263 38.487 -0.082 0.000 0.965 709 N HN 0.075 nan 8.380 nan 0.000 0.438 710 V N 1.393 121.147 119.914 -0.267 0.000 2.307 710 V HA -0.167 3.953 4.120 0.000 0.000 0.245 710 V C 2.376 178.360 176.094 -0.183 0.000 1.045 710 V CA 1.162 63.282 62.300 -0.300 0.000 1.024 710 V CB -0.583 30.870 31.823 -0.616 0.000 0.651 710 V HN 0.212 nan 8.190 nan 0.000 0.449 711 L N -0.745 120.378 121.223 -0.167 0.000 2.042 711 L HA -0.199 4.141 4.340 0.000 0.000 0.210 711 L C 2.479 179.295 176.870 -0.089 0.000 1.076 711 L CA 1.287 56.063 54.840 -0.107 0.000 0.749 711 L CB -0.613 41.388 42.059 -0.096 0.000 0.893 711 L HN 0.329 nan 8.230 nan 0.000 0.432 712 L N 0.020 121.187 121.223 -0.093 0.000 2.027 712 L HA -0.105 4.235 4.340 0.000 0.000 0.206 712 L C 1.703 178.535 176.870 -0.063 0.000 1.074 712 L CA 1.578 56.373 54.840 -0.075 0.000 0.745 712 L CB -0.433 41.583 42.059 -0.072 0.000 0.898 712 L HN 0.073 nan 8.230 nan 0.000 0.433 716 A N 0.000 122.799 122.820 -0.035 0.000 2.254 716 A HA 0.000 4.320 4.320 0.000 0.000 0.244 716 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 716 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 716 A HN 0.000 nan 8.150 nan 0.000 0.486