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 2wan_1_A DATA FIRST_RESID 112 DATA SEQUENCE PSVSNAYLDD EKTVLAKLSM PMTLADAASG FTVIDKTTGE KIPVTSAVSA DATA SEQUENCE NPVTAVLVGD LQQALGAANN WSPDDDHTLL KKINPNLYQL SGTLPAGTYQ DATA SEQUENCE YKIALDHSWN TSYPGNNVSL TVPEGGEKVT FTYIPSTNQV FDSVNHPNQA DATA SEQUENCE FPTSSAGVQT NLVQLTLASA PDVTHNLDVA ADGYKAHNIL PRNVLNLPRY DATA SEQUENCE DYSGNDLGNV YSKDATSFRV WAPTASNVQL LLYNSEKGSI TKQLEMQKSD DATA SEQUENCE NGTWKLQVSG NLENWYYLYQ VTVNGTTQTA VDPYARAISV NATRGMIVDL DATA SEQUENCE KATDPAGWQG DHEQTPANPV DEVIYEAHVR DFSIDANSGM KNKGKYLAFT DATA SEQUENCE EHGTKGPDHV KTGIDSLKEL GITTVQLQPV EEFNSIDETQ PDTYNWGYDP DATA SEQUENCE RNYNVPEGAY ATTPEGTARI TELKQLIQSL HQQRIGVNMD VVYNHTFDVM DATA SEQUENCE VSDFDKIVPQ YYYRTDSNGN YTNGSGXGNE FATEHPMAQK FVLDSVNYWV DATA SEQUENCE NEYHVDGFRF DLMALLGKDT MAKISNELHA INPGIVLYGE PWTGGTSGLS DATA SEQUENCE SDQLVTKGQQ KGLGIGVFND NIRNGLDGNV FDKTAQGFAT GDPNQVDVIK DATA SEQUENCE NGVIGSIQDF TSAPSETINY VTSHDNMTLW DKILASNPSD TEADRIKMDE DATA SEQUENCE LAHAVVFTSQ GVPFMQGGEE MLRTKGGNDN SYNAGDSVNQ FDWSRKAQFK DATA SEQUENCE DVFDYFSSMI HLRNQHPAFR MTTADQIKQN LTFLESPTNT VAFELKNYAN DATA SEQUENCE HDTWKNIIVM YNPNKTSQTL NLPSGDWTIV GLGDQIGEKS LGHVMGNVQV DATA SEQUENCE PAISTLILKQ 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 112 P HA 0.000 nan 4.420 nan 0.000 0.216 112 P C 0.000 177.345 177.300 0.074 0.000 1.155 112 P CA 0.000 63.082 63.100 -0.030 0.000 0.800 112 P CB 0.000 31.585 31.700 -0.191 0.000 0.726 113 S N -0.380 115.453 115.700 0.221 0.000 2.588 113 S HA 0.676 5.149 4.470 0.004 0.000 0.275 113 S C -0.616 174.131 174.600 0.244 0.000 1.130 113 S CA -0.894 57.452 58.200 0.243 0.000 0.855 113 S CB 1.648 64.932 63.200 0.140 0.000 1.116 113 S HN 0.162 nan 8.310 nan 0.000 0.472 114 V N 3.467 123.469 119.914 0.147 0.000 2.421 114 V HA 0.197 4.319 4.120 0.004 0.000 0.271 114 V C 1.584 177.644 176.094 -0.057 0.000 1.031 114 V CA 0.569 62.873 62.300 0.006 0.000 1.032 114 V CB 0.194 32.044 31.823 0.046 0.000 1.009 114 V HN 1.113 nan 8.190 nan 0.000 0.477 115 S N 3.403 119.010 115.700 -0.155 0.000 2.501 115 S HA 0.123 4.595 4.470 0.004 0.000 0.220 115 S C 0.568 174.814 174.600 -0.591 0.000 0.997 115 S CA 0.138 58.203 58.200 -0.224 0.000 0.919 115 S CB -0.063 63.074 63.200 -0.104 0.000 0.778 115 S HN 0.748 nan 8.310 nan 0.000 0.523 116 N N -0.638 117.656 118.700 -0.677 0.000 2.636 116 N HA 0.596 5.339 4.740 0.004 0.000 0.261 116 N C -2.086 173.099 175.510 -0.542 0.000 1.195 116 N CA 0.084 52.661 53.050 -0.789 0.000 0.902 116 N CB 1.726 39.887 38.487 -0.544 0.000 1.627 116 N HN 0.327 nan 8.380 nan 0.000 0.491 117 A N 1.560 124.104 122.820 -0.459 0.000 2.488 117 A HA 0.636 4.959 4.320 0.004 0.000 0.295 117 A C -2.125 175.331 177.584 -0.214 0.000 1.045 117 A CA -0.355 51.532 52.037 -0.250 0.000 0.703 117 A CB 0.723 19.692 19.000 -0.052 0.000 1.271 117 A HN 0.497 nan 8.150 nan 0.000 0.400 118 Y N 0.856 121.149 120.300 -0.013 0.000 2.409 118 Y HA 0.570 5.122 4.550 0.003 0.000 0.343 118 Y C -0.223 175.672 175.900 -0.009 0.000 0.973 118 Y CA -1.305 56.792 58.100 -0.004 0.000 1.064 118 Y CB 2.113 40.569 38.460 -0.006 0.000 1.207 118 Y HN 0.601 nan 8.280 nan 0.000 0.452 119 L N 4.032 125.360 121.223 0.175 0.000 2.282 119 L HA 0.363 4.706 4.340 0.004 0.000 0.287 119 L C 0.263 177.165 176.870 0.053 0.000 1.075 119 L CA 0.466 55.353 54.840 0.078 0.000 0.839 119 L CB -0.011 42.070 42.059 0.037 0.000 1.219 119 L HN 0.594 nan 8.230 nan 0.000 0.434 120 D N 2.059 122.491 120.400 0.053 0.000 2.379 120 D HA 0.147 4.790 4.640 0.004 0.000 0.208 120 D C -0.102 176.216 176.300 0.030 0.000 1.065 120 D CA 0.386 54.407 54.000 0.034 0.000 0.848 120 D CB 0.572 41.397 40.800 0.042 0.000 0.949 120 D HN 0.537 nan 8.370 nan 0.000 0.509 121 D N -1.005 119.413 120.400 0.030 0.000 2.643 121 D HA -0.001 4.641 4.640 0.004 0.000 0.283 121 D C 0.778 177.102 176.300 0.040 0.000 1.242 121 D CA -0.299 53.722 54.000 0.036 0.000 0.863 121 D CB 1.229 42.044 40.800 0.026 0.000 1.382 121 D HN -0.104 nan 8.370 nan 0.000 0.444 122 E N 0.230 120.460 120.200 0.049 0.000 2.130 122 E HA -0.175 4.177 4.350 0.004 0.000 0.196 122 E C 0.405 177.023 176.600 0.030 0.000 0.998 122 E CA 1.420 57.851 56.400 0.051 0.000 0.806 122 E CB 0.064 29.790 29.700 0.044 0.000 0.738 122 E HN 0.156 nan 8.360 nan 0.000 0.459 123 K N 0.316 120.727 120.400 0.019 0.000 2.792 123 K HA 0.239 4.561 4.320 0.004 0.000 0.207 123 K C -1.078 175.523 176.600 0.002 0.000 1.103 123 K CA -0.132 56.161 56.287 0.010 0.000 1.048 123 K CB 1.648 34.151 32.500 0.006 0.000 0.777 123 K HN -0.060 nan 8.250 nan 0.000 0.468 124 T N 0.777 115.334 114.554 0.005 0.000 2.879 124 T HA 0.350 4.702 4.350 0.004 0.000 0.290 124 T C -0.683 174.017 174.700 0.001 0.000 0.993 124 T CA -0.549 61.548 62.100 -0.005 0.000 0.975 124 T CB 2.222 71.089 68.868 -0.001 0.000 0.981 124 T HN -0.205 nan 8.240 nan 0.000 0.439 125 V N 4.004 123.905 119.914 -0.022 0.000 2.495 125 V HA 0.543 4.665 4.120 0.004 0.000 0.298 125 V C -0.552 175.516 176.094 -0.044 0.000 1.031 125 V CA -0.909 61.381 62.300 -0.017 0.000 0.871 125 V CB 1.787 33.591 31.823 -0.031 0.000 0.988 125 V HN 0.735 nan 8.190 nan 0.000 0.432 126 L N 5.150 126.373 121.223 0.001 0.000 2.276 126 L HA 0.855 5.197 4.340 0.004 0.000 0.286 126 L C 0.124 176.957 176.870 -0.061 0.000 1.024 126 L CA 0.099 54.930 54.840 -0.015 0.000 0.826 126 L CB 0.858 42.956 42.059 0.064 0.000 1.211 126 L HN 0.758 nan 8.230 nan 0.000 0.422 127 A N 4.594 127.344 122.820 -0.117 0.000 2.343 127 A HA 0.718 5.041 4.320 0.004 0.000 0.316 127 A C -0.912 176.597 177.584 -0.126 0.000 1.104 127 A CA -0.777 51.180 52.037 -0.134 0.000 0.768 127 A CB 1.131 20.060 19.000 -0.119 0.000 1.213 127 A HN 0.589 nan 8.150 nan 0.000 0.456 128 K N 2.204 122.513 120.400 -0.152 0.000 2.185 128 K HA 0.689 5.011 4.320 0.004 0.000 0.269 128 K C -1.237 175.287 176.600 -0.127 0.000 0.987 128 K CA -0.177 56.033 56.287 -0.128 0.000 0.865 128 K CB 0.586 33.002 32.500 -0.139 0.000 1.090 128 K HN 0.605 nan 8.250 nan 0.000 0.450 129 L N 3.089 124.249 121.223 -0.105 0.000 2.331 129 L HA 0.379 4.721 4.340 0.004 0.000 0.275 129 L C 1.146 178.024 176.870 0.013 0.000 1.022 129 L CA -0.710 54.060 54.840 -0.116 0.000 0.812 129 L CB 1.942 43.828 42.059 -0.288 0.000 1.257 129 L HN 0.874 nan 8.230 nan 0.000 0.435 130 S N 1.354 117.116 115.700 0.104 0.000 2.507 130 S HA 0.053 4.525 4.470 0.004 0.000 0.235 130 S C 0.400 175.075 174.600 0.125 0.000 0.988 130 S CA 0.247 58.511 58.200 0.106 0.000 0.944 130 S CB -0.320 62.947 63.200 0.112 0.000 0.762 130 S HN 0.662 nan 8.310 nan 0.000 0.526 131 M N -1.727 117.997 119.600 0.207 0.000 2.520 131 M HA 0.673 5.156 4.480 0.004 0.000 0.280 131 M C -3.521 172.901 176.300 0.204 0.000 1.232 131 M CA -2.221 53.179 55.300 0.166 0.000 0.892 131 M CB 1.308 33.982 32.600 0.123 0.000 1.728 131 M HN -0.328 nan 8.290 nan 0.000 0.475 132 P HA 0.411 nan 4.420 nan 0.000 0.274 132 P C -1.196 176.203 177.300 0.165 0.000 1.237 132 P CA -0.439 62.732 63.100 0.118 0.000 0.793 132 P CB 0.570 32.316 31.700 0.077 0.000 0.977 133 M N -1.701 117.986 119.600 0.145 0.000 2.619 133 M HA 0.609 5.092 4.480 0.004 0.000 0.297 133 M C -1.144 175.218 176.300 0.103 0.000 1.229 133 M CA -0.541 54.850 55.300 0.153 0.000 0.860 133 M CB 1.904 34.630 32.600 0.210 0.000 1.741 133 M HN -0.064 nan 8.290 nan 0.000 0.462 134 T N 3.066 117.671 114.554 0.086 0.000 2.744 134 T HA 0.535 4.887 4.350 0.004 0.000 0.291 134 T C 0.032 174.778 174.700 0.076 0.000 0.957 134 T CA -0.614 61.527 62.100 0.067 0.000 1.002 134 T CB 0.431 69.328 68.868 0.048 0.000 0.919 134 T HN 0.497 nan 8.240 nan 0.000 0.468 135 L N 2.620 123.890 121.223 0.078 0.000 2.439 135 L HA 0.553 4.896 4.340 0.004 0.000 0.269 135 L C 0.887 177.799 176.870 0.069 0.000 1.179 135 L CA -0.495 54.400 54.840 0.091 0.000 0.828 135 L CB 0.307 42.417 42.059 0.085 0.000 1.106 135 L HN 0.721 nan 8.230 nan 0.000 0.467 136 A N 2.162 125.027 122.820 0.075 0.000 2.889 136 A HA 0.498 4.820 4.320 0.004 0.000 0.235 136 A C -0.730 176.888 177.584 0.055 0.000 1.307 136 A CA -0.662 51.409 52.037 0.056 0.000 0.917 136 A CB 0.318 19.348 19.000 0.051 0.000 1.546 136 A HN 0.681 nan 8.150 nan 0.000 0.472 137 D N -0.617 119.810 120.400 0.045 0.000 2.368 137 D HA 0.450 5.092 4.640 0.004 0.000 0.240 137 D C 1.175 177.504 176.300 0.050 0.000 1.169 137 D CA 1.287 55.311 54.000 0.040 0.000 0.906 137 D CB 0.583 41.402 40.800 0.030 0.000 1.187 137 D HN 1.032 nan 8.370 nan 0.000 0.435 138 A N 1.509 124.353 122.820 0.041 0.000 5.213 138 A HA -0.323 4.000 4.320 0.004 0.000 0.347 138 A C 1.935 179.556 177.584 0.063 0.000 1.682 138 A CA 2.689 54.751 52.037 0.042 0.000 0.701 138 A CB -1.880 17.142 19.000 0.037 0.000 1.474 138 A HN 0.977 nan 8.150 nan 0.000 0.405 139 A N -1.357 121.511 122.820 0.079 0.000 2.067 139 A HA 0.344 4.667 4.320 0.004 0.000 0.219 139 A C 1.907 179.625 177.584 0.223 0.000 1.158 139 A CA 2.054 54.167 52.037 0.128 0.000 0.661 139 A CB -0.771 18.298 19.000 0.115 0.000 0.801 139 A HN 2.696 nan 8.150 nan 0.000 0.452 140 S N -2.513 113.285 115.700 0.164 0.000 3.614 140 S HA -0.085 4.387 4.470 0.004 0.000 0.360 140 S C 1.337 176.016 174.600 0.131 0.000 1.023 140 S CA 1.443 59.748 58.200 0.175 0.000 1.114 140 S CB -1.821 61.520 63.200 0.234 0.000 0.907 140 S HN 2.571 nan 8.310 nan 0.000 0.470 141 G N -1.054 107.788 108.800 0.069 0.000 2.179 141 G HA2 -0.298 3.665 3.960 0.004 0.000 0.260 141 G HA3 -0.298 3.665 3.960 0.004 0.000 0.260 141 G C 0.003 174.842 174.900 -0.102 0.000 0.977 141 G CA 0.262 45.340 45.100 -0.037 0.000 0.641 141 G HN 0.811 nan 8.290 nan 0.000 0.533 142 F N 1.995 121.959 119.950 0.024 0.000 2.396 142 F HA 0.581 5.109 4.527 0.003 0.000 0.343 142 F C 1.150 176.961 175.800 0.019 0.000 1.104 142 F CA 0.637 58.647 58.000 0.016 0.000 1.161 142 F CB 1.669 40.668 39.000 -0.001 0.000 1.146 142 F HN 0.194 nan 8.300 nan 0.000 0.522 143 T N 0.124 114.798 114.554 0.200 0.000 2.893 143 T HA 0.812 5.164 4.350 0.004 0.000 0.291 143 T C -1.110 173.666 174.700 0.127 0.000 1.028 143 T CA -0.879 61.299 62.100 0.129 0.000 0.995 143 T CB 1.643 70.556 68.868 0.075 0.000 1.051 143 T HN 0.301 nan 8.240 nan 0.000 0.470 144 V N 2.991 122.960 119.914 0.092 0.000 2.638 144 V HA 0.633 4.756 4.120 0.004 0.000 0.306 144 V C -0.654 175.475 176.094 0.059 0.000 1.052 144 V CA -0.891 61.455 62.300 0.076 0.000 0.885 144 V CB 1.698 33.559 31.823 0.064 0.000 0.999 144 V HN 1.017 nan 8.190 nan 0.000 0.424 145 I N 2.882 123.485 120.570 0.055 0.000 2.545 145 I HA 0.498 4.671 4.170 0.004 0.000 0.292 145 I C -0.957 175.190 176.117 0.049 0.000 1.040 145 I CA -0.499 60.829 61.300 0.046 0.000 1.068 145 I CB 2.110 40.132 38.000 0.038 0.000 1.251 145 I HN 0.660 nan 8.210 nan 0.000 0.424 146 D N 7.297 127.730 120.400 0.055 0.000 2.374 146 D HA 0.111 4.754 4.640 0.004 0.000 0.240 146 D C 0.652 176.972 176.300 0.033 0.000 1.229 146 D CA 0.118 54.159 54.000 0.069 0.000 0.895 146 D CB 0.958 41.827 40.800 0.115 0.000 1.046 146 D HN 0.469 nan 8.370 nan 0.000 0.498 147 K N 1.713 122.123 120.400 0.018 0.000 2.362 147 K HA -0.053 4.269 4.320 0.004 0.000 0.200 147 K C 1.444 178.018 176.600 -0.043 0.000 1.046 147 K CA 0.731 57.013 56.287 -0.007 0.000 0.952 147 K CB 0.291 32.788 32.500 -0.006 0.000 0.753 147 K HN 0.406 nan 8.250 nan 0.000 0.466 148 T N 0.402 114.904 114.554 -0.086 0.000 2.770 148 T HA -0.101 4.251 4.350 0.004 0.000 0.263 148 T C 2.027 176.630 174.700 -0.160 0.000 1.039 148 T CA 1.900 63.883 62.100 -0.195 0.000 1.142 148 T CB -0.115 68.455 68.868 -0.496 0.000 0.868 148 T HN 0.436 nan 8.240 nan 0.000 0.435 149 T N -1.860 112.631 114.554 -0.105 0.000 3.040 149 T HA 0.455 4.808 4.350 0.004 0.000 0.250 149 T C 1.838 176.532 174.700 -0.010 0.000 1.058 149 T CA 0.787 62.861 62.100 -0.043 0.000 0.988 149 T CB 0.203 69.081 68.868 0.016 0.000 0.993 149 T HN 0.503 nan 8.240 nan 0.000 0.519 150 G N 1.549 110.345 108.800 -0.007 0.000 2.205 150 G HA2 -0.298 3.664 3.960 0.004 0.000 0.261 150 G HA3 -0.298 3.664 3.960 0.004 0.000 0.261 150 G C -0.108 174.802 174.900 0.017 0.000 0.980 150 G CA 0.302 45.404 45.100 0.004 0.000 0.632 150 G HN 0.857 nan 8.290 nan 0.000 0.533 151 E N 1.216 121.432 120.200 0.027 0.000 2.366 151 E HA 0.327 4.680 4.350 0.004 0.000 0.266 151 E C 0.316 176.938 176.600 0.037 0.000 1.015 151 E CA -0.192 56.229 56.400 0.034 0.000 0.906 151 E CB 0.234 29.961 29.700 0.046 0.000 0.979 151 E HN 0.373 nan 8.360 nan 0.000 0.443 152 K N 4.484 124.903 120.400 0.032 0.000 2.249 152 K HA 0.324 4.646 4.320 0.004 0.000 0.280 152 K C -0.297 176.325 176.600 0.036 0.000 1.033 152 K CA -0.251 56.057 56.287 0.034 0.000 0.946 152 K CB 0.943 33.461 32.500 0.030 0.000 1.005 152 K HN 0.481 nan 8.250 nan 0.000 0.469 153 I N 5.097 125.691 120.570 0.040 0.000 2.355 153 I HA 0.237 4.409 4.170 0.004 0.000 0.288 153 I C -2.253 173.887 176.117 0.038 0.000 0.999 153 I CA -2.632 58.690 61.300 0.036 0.000 1.163 153 I CB 1.637 39.659 38.000 0.037 0.000 1.316 153 I HN 0.285 nan 8.210 nan 0.000 0.454 154 P HA 0.078 nan 4.420 nan 0.000 0.271 154 P C -0.491 176.831 177.300 0.036 0.000 1.220 154 P CA -0.200 62.922 63.100 0.037 0.000 0.768 154 P CB 0.638 32.355 31.700 0.029 0.000 0.848 155 V N 3.620 123.563 119.914 0.049 0.000 2.427 155 V HA 0.062 4.184 4.120 0.004 0.000 0.268 155 V C 1.651 177.766 176.094 0.035 0.000 1.046 155 V CA 0.558 62.883 62.300 0.043 0.000 0.970 155 V CB 0.344 32.214 31.823 0.077 0.000 1.001 155 V HN 0.735 nan 8.190 nan 0.000 0.476 156 T N 0.253 114.817 114.554 0.017 0.000 3.057 156 T HA 0.164 4.516 4.350 0.004 0.000 0.254 156 T C 0.654 175.360 174.700 0.010 0.000 1.094 156 T CA 0.482 62.590 62.100 0.014 0.000 1.088 156 T CB 0.339 69.211 68.868 0.008 0.000 0.934 156 T HN 0.615 nan 8.240 nan 0.000 0.497 157 S N -0.313 115.386 115.700 -0.001 0.000 2.542 157 S HA 0.647 5.120 4.470 0.004 0.000 0.276 157 S C -2.022 172.553 174.600 -0.042 0.000 1.148 157 S CA -0.343 57.851 58.200 -0.010 0.000 0.886 157 S CB 1.283 64.474 63.200 -0.015 0.000 1.109 157 S HN 0.841 nan 8.310 nan 0.000 0.458 158 A N 3.062 125.861 122.820 -0.035 0.000 2.411 158 A HA 0.735 5.058 4.320 0.004 0.000 0.285 158 A C -0.402 177.152 177.584 -0.049 0.000 1.129 158 A CA -0.354 51.628 52.037 -0.092 0.000 0.736 158 A CB 0.736 19.699 19.000 -0.063 0.000 1.186 158 A HN 1.762 nan 8.150 nan 0.000 0.445 159 V N 0.235 120.108 119.914 -0.069 0.000 3.046 159 V HA 0.880 5.003 4.120 0.004 0.000 0.316 159 V C 0.303 176.376 176.094 -0.035 0.000 1.104 159 V CA -0.596 61.686 62.300 -0.029 0.000 1.006 159 V CB 1.589 33.404 31.823 -0.014 0.000 1.058 159 V HN 0.968 nan 8.190 nan 0.000 0.440 160 S N 1.116 116.814 115.700 -0.003 0.000 2.549 160 S HA 0.573 5.046 4.470 0.004 0.000 0.279 160 S C 1.093 175.695 174.600 0.002 0.000 1.321 160 S CA 0.114 58.314 58.200 -0.000 0.000 1.054 160 S CB 1.041 64.252 63.200 0.019 0.000 0.899 160 S HN 1.630 nan 8.310 nan 0.000 0.497 161 A N 4.707 127.522 122.820 -0.008 0.000 2.195 161 A HA 0.220 4.543 4.320 0.004 0.000 0.210 161 A C 0.659 178.252 177.584 0.014 0.000 1.165 161 A CA -0.172 51.865 52.037 -0.000 0.000 0.806 161 A CB -0.288 18.704 19.000 -0.013 0.000 0.847 161 A HN 0.784 nan 8.150 nan 0.000 0.482 162 N N 2.470 121.179 118.700 0.014 0.000 2.412 162 N HA 0.197 4.939 4.740 0.004 0.000 0.258 162 N C -2.485 173.038 175.510 0.022 0.000 1.236 162 N CA -0.632 52.426 53.050 0.014 0.000 0.882 162 N CB 0.188 38.681 38.487 0.011 0.000 1.066 162 N HN 0.316 nan 8.380 nan 0.000 0.465 163 P HA 0.092 nan 4.420 nan 0.000 0.274 163 P C -0.486 176.793 177.300 -0.034 0.000 1.231 163 P CA -0.432 62.677 63.100 0.015 0.000 0.790 163 P CB 0.823 32.524 31.700 0.002 0.000 0.951 164 V N -0.175 119.689 119.914 -0.084 0.000 2.444 164 V HA 0.517 4.639 4.120 0.004 0.000 0.294 164 V C -0.651 175.280 176.094 -0.273 0.000 1.022 164 V CA -0.228 61.932 62.300 -0.232 0.000 0.850 164 V CB 1.610 33.194 31.823 -0.399 0.000 0.992 164 V HN 0.492 nan 8.190 nan 0.000 0.426 165 T N 6.461 120.867 114.554 -0.247 0.000 2.853 165 T HA 0.757 5.109 4.350 0.004 0.000 0.317 165 T C 0.025 174.543 174.700 -0.303 0.000 1.059 165 T CA 0.253 62.191 62.100 -0.270 0.000 0.954 165 T CB 0.851 69.501 68.868 -0.365 0.000 0.994 165 T HN 1.353 nan 8.240 nan 0.000 0.479 166 A N 3.543 126.194 122.820 -0.281 0.000 2.310 166 A HA 0.726 5.048 4.320 0.004 0.000 0.304 166 A C -0.450 177.018 177.584 -0.194 0.000 1.231 166 A CA -0.614 51.231 52.037 -0.319 0.000 0.799 166 A CB 0.843 19.584 19.000 -0.432 0.000 1.162 166 A HN 0.622 nan 8.150 nan 0.000 0.486 167 V N 3.509 123.306 119.914 -0.195 0.000 2.417 167 V HA 0.312 4.435 4.120 0.004 0.000 0.291 167 V C -0.141 175.861 176.094 -0.152 0.000 1.024 167 V CA -0.629 61.587 62.300 -0.139 0.000 0.861 167 V CB 1.508 33.263 31.823 -0.114 0.000 0.985 167 V HN 0.853 nan 8.190 nan 0.000 0.436 168 L N 7.886 129.015 121.223 -0.155 0.000 2.433 168 L HA 0.446 4.788 4.340 0.004 0.000 0.275 168 L C -0.078 176.670 176.870 -0.203 0.000 1.128 168 L CA 0.613 55.326 54.840 -0.212 0.000 0.875 168 L CB 0.756 42.569 42.059 -0.412 0.000 1.171 168 L HN 0.594 nan 8.230 nan 0.000 0.463 169 V N 3.240 123.078 119.914 -0.127 0.000 2.769 169 V HA 1.128 5.251 4.120 0.004 0.000 0.312 169 V C 0.163 176.115 176.094 -0.237 0.000 1.061 169 V CA 0.226 62.456 62.300 -0.116 0.000 0.931 169 V CB 0.952 32.784 31.823 0.014 0.000 1.010 169 V HN 1.130 nan 8.190 nan 0.000 0.433 170 G N 3.184 111.615 108.800 -0.615 0.000 2.350 170 G HA2 0.244 4.207 3.960 0.004 0.000 0.276 170 G HA3 0.244 4.207 3.960 0.004 0.000 0.276 170 G C -0.630 173.494 174.900 -1.293 0.000 1.313 170 G CA 0.138 44.382 45.100 -1.426 0.000 0.903 170 G HN 1.145 nan 8.290 nan 0.000 0.490 171 D N -0.125 119.770 120.400 -0.842 0.000 2.328 171 D HA 0.138 4.780 4.640 0.004 0.000 0.226 171 D C 1.868 178.173 176.300 0.008 0.000 1.066 171 D CA 0.648 54.498 54.000 -0.250 0.000 0.861 171 D CB -0.043 40.824 40.800 0.112 0.000 0.912 171 D HN 0.481 nan 8.370 nan 0.000 0.521 172 L N -3.032 118.138 121.223 -0.088 0.000 2.640 172 L HA 0.360 4.702 4.340 0.004 0.000 0.230 172 L C 1.846 178.600 176.870 -0.194 0.000 1.123 172 L CA 0.050 54.817 54.840 -0.122 0.000 0.900 172 L CB -0.927 40.909 42.059 -0.372 0.000 1.146 172 L HN -0.158 nan 8.230 nan 0.000 0.484 173 Q N 0.222 119.904 119.800 -0.198 0.000 2.083 173 Q HA -0.137 4.205 4.340 0.004 0.000 0.198 173 Q C 2.048 177.965 176.000 -0.138 0.000 0.969 173 Q CA 1.660 57.352 55.803 -0.184 0.000 0.838 173 Q CB -0.011 28.620 28.738 -0.179 0.000 0.900 173 Q HN 0.691 nan 8.270 nan 0.000 0.436 174 Q N -0.181 119.562 119.800 -0.093 0.000 2.046 174 Q HA -0.113 4.230 4.340 0.004 0.000 0.200 174 Q C 1.998 177.957 176.000 -0.068 0.000 0.975 174 Q CA 1.225 56.983 55.803 -0.076 0.000 0.836 174 Q CB -0.157 28.565 28.738 -0.027 0.000 0.896 174 Q HN 0.331 nan 8.270 nan 0.000 0.428 175 A N 0.474 123.273 122.820 -0.035 0.000 2.178 175 A HA -0.099 4.223 4.320 0.004 0.000 0.218 175 A C 1.611 179.160 177.584 -0.060 0.000 1.157 175 A CA 0.950 52.975 52.037 -0.021 0.000 0.689 175 A CB -0.238 18.778 19.000 0.026 0.000 0.787 175 A HN 0.291 nan 8.150 nan 0.000 0.465 176 L N -1.831 119.335 121.223 -0.096 0.000 2.818 176 L HA 0.324 4.666 4.340 0.004 0.000 0.243 176 L C 1.455 178.278 176.870 -0.078 0.000 1.185 176 L CA 0.453 55.247 54.840 -0.076 0.000 0.988 176 L CB 0.251 42.246 42.059 -0.107 0.000 1.292 176 L HN 0.516 nan 8.230 nan 0.000 0.519 177 G N -0.048 108.653 108.800 -0.164 0.000 2.194 177 G HA2 -0.245 3.717 3.960 0.004 0.000 0.236 177 G HA3 -0.245 3.717 3.960 0.004 0.000 0.236 177 G C 0.447 174.910 174.900 -0.728 0.000 0.987 177 G CA -0.071 44.819 45.100 -0.350 0.000 0.635 177 G HN 0.450 nan 8.290 nan 0.000 0.520 178 A N 0.366 122.897 122.820 -0.482 0.000 2.386 178 A HA 0.832 5.154 4.320 0.004 0.000 0.248 178 A C 1.784 179.238 177.584 -0.217 0.000 1.082 178 A CA 0.935 52.755 52.037 -0.362 0.000 0.789 178 A CB 0.507 19.407 19.000 -0.168 0.000 1.025 178 A HN 1.734 nan 8.150 nan 0.000 0.490 179 A N 2.136 124.870 122.820 -0.144 0.000 1.877 179 A HA -0.033 4.289 4.320 0.004 0.000 0.216 179 A C 0.924 178.485 177.584 -0.039 0.000 1.186 179 A CA 1.437 53.430 52.037 -0.073 0.000 0.620 179 A CB -0.360 18.618 19.000 -0.037 0.000 0.822 179 A HN 0.813 nan 8.150 nan 0.000 0.443 180 N N -0.851 117.835 118.700 -0.023 0.000 2.262 180 N HA 0.271 5.014 4.740 0.004 0.000 0.295 180 N C -1.438 174.086 175.510 0.023 0.000 1.161 180 N CA -0.519 52.542 53.050 0.019 0.000 0.767 180 N CB 1.057 39.575 38.487 0.051 0.000 1.499 180 N HN 0.401 nan 8.380 nan 0.000 0.476 181 N N -0.423 118.314 118.700 0.061 0.000 2.424 181 N HA 0.118 4.860 4.740 0.004 0.000 0.257 181 N C -0.463 175.169 175.510 0.204 0.000 1.250 181 N CA -0.220 52.846 53.050 0.028 0.000 0.946 181 N CB 0.556 39.070 38.487 0.045 0.000 1.175 181 N HN 0.499 nan 8.380 nan 0.000 0.477 182 W N -0.018 121.375 121.300 0.155 0.000 6.486 182 W HA -0.216 4.447 4.660 0.004 0.000 0.411 182 W C -0.201 176.521 176.519 0.338 0.000 1.595 182 W CA -0.000 57.531 57.345 0.311 0.000 1.075 182 W CB -1.697 27.919 29.460 0.260 0.000 2.798 182 W HN 0.155 nan 8.180 nan 0.000 1.534 183 S N 0.245 116.093 115.700 0.248 0.000 2.718 183 S HA 0.462 4.935 4.470 0.004 0.000 0.294 183 S C -0.801 173.734 174.600 -0.108 0.000 1.157 183 S CA -1.338 56.918 58.200 0.094 0.000 1.121 183 S CB 1.143 64.378 63.200 0.058 0.000 1.015 183 S HN -0.091 nan 8.310 nan 0.000 0.479 184 P HA -0.003 nan 4.420 nan 0.000 0.226 184 P C 0.557 177.760 177.300 -0.161 0.000 1.153 184 P CA 0.777 63.614 63.100 -0.437 0.000 0.777 184 P CB 0.003 31.201 31.700 -0.838 0.000 0.794 185 D N -2.193 118.112 120.400 -0.158 0.000 2.340 185 D HA -0.011 4.632 4.640 0.004 0.000 0.217 185 D C -0.049 176.088 176.300 -0.272 0.000 1.081 185 D CA -0.012 53.827 54.000 -0.270 0.000 0.842 185 D CB -0.718 39.893 40.800 -0.315 0.000 0.934 185 D HN -0.005 nan 8.370 nan 0.000 0.511 186 D N 1.241 121.571 120.400 -0.116 0.000 2.393 186 D HA 0.053 4.695 4.640 0.004 0.000 0.232 186 D C 0.012 176.311 176.300 -0.002 0.000 1.192 186 D CA -0.275 53.692 54.000 -0.056 0.000 0.882 186 D CB 0.925 41.709 40.800 -0.026 0.000 1.038 186 D HN -0.149 nan 8.370 nan 0.000 0.499 187 D N 1.741 122.146 120.400 0.008 0.000 2.352 187 D HA -0.103 4.540 4.640 0.004 0.000 0.232 187 D C 1.556 177.869 176.300 0.021 0.000 1.055 187 D CA 0.223 54.249 54.000 0.043 0.000 0.891 187 D CB 0.107 40.941 40.800 0.058 0.000 0.897 187 D HN 0.579 nan 8.370 nan 0.000 0.529 188 H N 0.369 119.418 119.070 -0.035 0.000 2.387 188 H HA -0.079 4.479 4.556 0.004 0.000 0.299 188 H C 1.054 176.353 175.328 -0.049 0.000 1.099 188 H CA 1.648 57.673 56.048 -0.038 0.000 1.315 188 H CB 0.482 30.217 29.762 -0.045 0.000 1.380 188 H HN 0.175 nan 8.280 nan 0.000 0.513 189 T N -0.841 113.752 114.554 0.065 0.000 3.269 189 T HA 0.219 4.571 4.350 0.004 0.000 0.269 189 T C 0.270 174.947 174.700 -0.038 0.000 0.993 189 T CA -0.483 61.605 62.100 -0.020 0.000 0.909 189 T CB -0.587 68.220 68.868 -0.101 0.000 1.115 189 T HN -0.023 nan 8.240 nan 0.000 0.543 190 L N 2.175 123.392 121.223 -0.009 0.000 2.410 190 L HA 0.441 4.783 4.340 0.004 0.000 0.273 190 L C -0.352 176.531 176.870 0.021 0.000 1.152 190 L CA -0.535 54.304 54.840 -0.001 0.000 0.855 190 L CB 0.034 42.105 42.059 0.020 0.000 1.129 190 L HN 0.200 nan 8.230 nan 0.000 0.463 191 L N 5.409 126.660 121.223 0.046 0.000 2.426 191 L HA 0.264 4.606 4.340 0.004 0.000 0.271 191 L C 0.319 177.313 176.870 0.206 0.000 1.169 191 L CA 0.502 55.416 54.840 0.125 0.000 0.836 191 L CB 0.389 42.555 42.059 0.178 0.000 1.112 191 L HN 0.583 nan 8.230 nan 0.000 0.465 192 K N 2.036 122.517 120.400 0.135 0.000 2.130 192 K HA 0.294 4.617 4.320 0.004 0.000 0.268 192 K C -0.336 176.191 176.600 -0.122 0.000 0.983 192 K CA -0.774 55.546 56.287 0.055 0.000 0.893 192 K CB 1.000 33.501 32.500 0.001 0.000 1.066 192 K HN 0.328 nan 8.250 nan 0.000 0.450 193 K N 4.081 124.291 120.400 -0.316 0.000 2.402 193 K HA 0.019 4.341 4.320 0.004 0.000 0.285 193 K C 0.407 176.753 176.600 -0.423 0.000 1.054 193 K CA -0.086 55.724 56.287 -0.794 0.000 1.001 193 K CB 0.343 32.520 32.500 -0.539 0.000 0.946 193 K HN 0.474 nan 8.250 nan 0.000 0.473 194 I N 2.460 122.783 120.570 -0.413 0.000 2.512 194 I HA -0.048 4.124 4.170 0.004 0.000 0.247 194 I C 0.733 176.738 176.117 -0.186 0.000 1.094 194 I CA 0.715 61.883 61.300 -0.219 0.000 1.427 194 I CB -1.390 36.515 38.000 -0.158 0.000 1.149 194 I HN 0.714 nan 8.210 nan 0.000 0.438 195 N N -0.093 118.482 118.700 -0.207 0.000 2.831 195 N HA 0.343 5.085 4.740 0.004 0.000 0.276 195 N C -2.609 172.808 175.510 -0.154 0.000 1.416 195 N CA -1.488 51.478 53.050 -0.141 0.000 0.799 195 N CB 0.611 39.055 38.487 -0.071 0.000 1.554 195 N HN -0.335 nan 8.380 nan 0.000 0.541 196 P HA -0.031 nan 4.420 nan 0.000 0.223 196 P C -0.157 177.199 177.300 0.092 0.000 1.144 196 P CA 1.361 64.470 63.100 0.015 0.000 0.783 196 P CB 0.078 31.789 31.700 0.017 0.000 0.771 197 N N -1.240 117.485 118.700 0.042 0.000 2.351 197 N HA 0.190 4.932 4.740 0.004 0.000 0.254 197 N C -1.094 174.440 175.510 0.040 0.000 1.241 197 N CA -0.217 52.869 53.050 0.059 0.000 0.883 197 N CB 0.013 38.515 38.487 0.024 0.000 1.202 197 N HN -0.112 nan 8.380 nan 0.000 0.512 198 L N 0.951 122.183 121.223 0.015 0.000 2.596 198 L HA 0.454 4.797 4.340 0.004 0.000 0.265 198 L C -2.099 174.697 176.870 -0.123 0.000 0.962 198 L CA -0.598 54.215 54.840 -0.046 0.000 0.891 198 L CB 0.710 42.706 42.059 -0.104 0.000 1.248 198 L HN -0.011 nan 8.230 nan 0.000 0.410 199 Y N 3.529 123.803 120.300 -0.043 0.000 2.364 199 Y HA 0.727 5.279 4.550 0.004 0.000 0.340 199 Y C -0.026 175.877 175.900 0.005 0.000 0.975 199 Y CA -0.364 57.748 58.100 0.020 0.000 1.089 199 Y CB 2.054 40.589 38.460 0.126 0.000 1.192 199 Y HN 0.513 nan 8.280 nan 0.000 0.454 200 Q N 2.887 122.739 119.800 0.087 0.000 2.421 200 Q HA 0.665 5.007 4.340 0.004 0.000 0.280 200 Q C -1.950 174.099 176.000 0.081 0.000 1.085 200 Q CA -1.331 54.507 55.803 0.057 0.000 0.807 200 Q CB 3.625 32.343 28.738 -0.035 0.000 1.405 200 Q HN 0.580 nan 8.270 nan 0.000 0.419 201 L N 0.278 121.570 121.223 0.115 0.000 2.436 201 L HA 0.573 4.915 4.340 0.004 0.000 0.268 201 L C -1.459 175.507 176.870 0.161 0.000 0.974 201 L CA 0.017 54.923 54.840 0.111 0.000 0.826 201 L CB 2.505 44.615 42.059 0.084 0.000 1.291 201 L HN 0.587 nan 8.230 nan 0.000 0.406 202 S N 2.103 117.862 115.700 0.099 0.000 2.578 202 S HA 1.004 5.476 4.470 0.004 0.000 0.301 202 S C -0.306 174.346 174.600 0.086 0.000 1.091 202 S CA -0.212 58.040 58.200 0.087 0.000 1.032 202 S CB 1.768 64.988 63.200 0.034 0.000 1.064 202 S HN 1.031 nan 8.310 nan 0.000 0.508 203 G N 0.490 109.343 108.800 0.088 0.000 2.632 203 G HA2 0.515 4.477 3.960 0.004 0.000 0.292 203 G HA3 0.515 4.477 3.960 0.004 0.000 0.292 203 G C -1.459 173.465 174.900 0.040 0.000 1.465 203 G CA -0.638 44.498 45.100 0.060 0.000 0.824 203 G HN 0.547 nan 8.290 nan 0.000 0.509 204 T N 1.267 115.833 114.554 0.020 0.000 2.767 204 T HA 0.561 4.913 4.350 0.004 0.000 0.288 204 T C -0.518 174.181 174.700 -0.002 0.000 0.963 204 T CA -0.311 61.795 62.100 0.010 0.000 1.019 204 T CB 1.297 70.173 68.868 0.013 0.000 0.923 204 T HN 0.233 nan 8.240 nan 0.000 0.468 205 L N 5.485 126.702 121.223 -0.010 0.000 2.329 205 L HA 0.542 4.885 4.340 0.004 0.000 0.279 205 L C -2.237 174.669 176.870 0.061 0.000 1.014 205 L CA -2.719 52.102 54.840 -0.031 0.000 0.814 205 L CB 1.276 43.236 42.059 -0.164 0.000 1.257 205 L HN 0.377 nan 8.230 nan 0.000 0.424 206 P HA 0.206 nan 4.420 nan 0.000 0.272 206 P C -0.818 176.614 177.300 0.221 0.000 1.230 206 P CA -0.468 62.721 63.100 0.147 0.000 0.788 206 P CB 0.470 32.255 31.700 0.142 0.000 0.949 207 A N 1.379 124.286 122.820 0.144 0.000 2.555 207 A HA 0.458 4.780 4.320 0.004 0.000 0.233 207 A C 0.849 178.498 177.584 0.109 0.000 1.060 207 A CA 1.326 53.440 52.037 0.128 0.000 0.759 207 A CB -1.231 17.811 19.000 0.070 0.000 0.995 207 A HN 0.825 nan 8.150 nan 0.000 0.506 208 G N -0.186 108.657 108.800 0.071 0.000 2.369 208 G HA2 0.510 4.473 3.960 0.004 0.000 0.295 208 G HA3 0.510 4.473 3.960 0.004 0.000 0.295 208 G C -0.428 174.362 174.900 -0.184 0.000 1.298 208 G CA -0.058 44.972 45.100 -0.117 0.000 0.940 208 G HN 1.932 nan 8.290 nan 0.000 0.536 209 T N -1.502 112.868 114.554 -0.305 0.000 2.795 209 T HA 0.774 5.126 4.350 0.004 0.000 0.282 209 T C -0.742 173.744 174.700 -0.356 0.000 0.980 209 T CA -0.392 61.604 62.100 -0.172 0.000 1.012 209 T CB 1.508 70.340 68.868 -0.059 0.000 0.936 209 T HN 0.691 nan 8.240 nan 0.000 0.457 210 Y N 0.140 120.510 120.300 0.117 0.000 2.634 210 Y HA 0.599 5.152 4.550 0.004 0.000 0.340 210 Y C 0.280 176.279 175.900 0.166 0.000 1.058 210 Y CA -1.237 56.940 58.100 0.128 0.000 1.081 210 Y CB 2.328 40.868 38.460 0.134 0.000 1.295 210 Y HN 0.602 nan 8.280 nan 0.000 0.487 211 Q N 1.113 121.111 119.800 0.331 0.000 2.372 211 Q HA 0.495 4.837 4.340 0.004 0.000 0.273 211 Q C -1.866 174.238 176.000 0.173 0.000 1.078 211 Q CA -1.077 54.886 55.803 0.266 0.000 0.806 211 Q CB 3.319 32.259 28.738 0.337 0.000 1.332 211 Q HN 0.679 nan 8.270 nan 0.000 0.435 212 Y N -0.987 119.352 120.300 0.065 0.000 2.625 212 Y HA 0.728 5.280 4.550 0.004 0.000 0.338 212 Y C -1.541 174.418 175.900 0.098 0.000 1.123 212 Y CA -1.001 57.076 58.100 -0.039 0.000 1.046 212 Y CB 1.613 40.014 38.460 -0.098 0.000 1.299 212 Y HN 0.399 nan 8.280 nan 0.000 0.464 213 K N 1.328 121.854 120.400 0.211 0.000 2.430 213 K HA 0.594 4.917 4.320 0.004 0.000 0.268 213 K C -1.806 174.939 176.600 0.242 0.000 1.043 213 K CA -1.130 55.278 56.287 0.201 0.000 0.899 213 K CB 2.477 35.135 32.500 0.264 0.000 1.472 213 K HN 0.545 nan 8.250 nan 0.000 0.451 214 I N 1.704 122.370 120.570 0.159 0.000 2.382 214 I HA 0.336 4.509 4.170 0.004 0.000 0.286 214 I C -0.335 175.732 176.117 -0.083 0.000 1.002 214 I CA -0.528 60.778 61.300 0.010 0.000 1.135 214 I CB 0.996 38.968 38.000 -0.046 0.000 1.288 214 I HN 0.647 nan 8.210 nan 0.000 0.448 215 A N 7.831 130.548 122.820 -0.173 0.000 2.305 215 A HA 0.792 5.115 4.320 0.004 0.000 0.322 215 A C -0.424 176.988 177.584 -0.288 0.000 1.187 215 A CA -0.540 51.340 52.037 -0.262 0.000 0.825 215 A CB 0.988 19.688 19.000 -0.501 0.000 1.164 215 A HN 0.694 nan 8.150 nan 0.000 0.498 216 L N 1.439 122.504 121.223 -0.263 0.000 2.334 216 L HA 0.361 4.704 4.340 0.004 0.000 0.275 216 L C -0.193 176.540 176.870 -0.228 0.000 1.036 216 L CA -0.590 54.103 54.840 -0.245 0.000 0.807 216 L CB 1.013 42.969 42.059 -0.170 0.000 1.231 216 L HN 0.832 nan 8.230 nan 0.000 0.438 217 D N 1.170 121.408 120.400 -0.269 0.000 2.837 217 D HA -0.245 4.397 4.640 0.004 0.000 0.230 217 D C 0.390 176.569 176.300 -0.201 0.000 1.152 217 D CA 1.295 55.136 54.000 -0.265 0.000 0.736 217 D CB -1.380 39.332 40.800 -0.148 0.000 1.084 217 D HN 0.940 nan 8.370 nan 0.000 0.429 218 H N -2.627 116.340 119.070 -0.171 0.000 2.958 218 H HA -0.217 4.341 4.556 0.004 0.000 0.274 218 H C 0.573 175.769 175.328 -0.220 0.000 1.184 218 H CA 0.960 56.896 56.048 -0.187 0.000 1.143 218 H CB -1.319 28.370 29.762 -0.122 0.000 1.297 218 H HN 0.527 nan 8.280 nan 0.000 0.356 219 S N -1.952 113.652 115.700 -0.160 0.000 2.720 219 S HA 0.401 4.873 4.470 0.004 0.000 0.287 219 S C -0.002 174.425 174.600 -0.288 0.000 1.168 219 S CA -0.925 57.160 58.200 -0.192 0.000 0.832 219 S CB 0.961 64.134 63.200 -0.046 0.000 1.166 219 S HN 0.313 nan 8.310 nan 0.000 0.493 220 W N 0.829 122.122 121.300 -0.013 0.000 3.316 220 W HA 0.369 5.031 4.660 0.004 0.000 0.327 220 W C 2.023 178.507 176.519 -0.058 0.000 1.232 220 W CA -0.510 56.817 57.345 -0.030 0.000 1.805 220 W CB 0.016 29.466 29.460 -0.016 0.000 1.090 220 W HN 0.687 nan 8.180 nan 0.000 0.654 221 N N 0.373 119.139 118.700 0.109 0.000 2.061 221 N HA -0.096 4.646 4.740 0.004 0.000 0.193 221 N C 0.046 175.552 175.510 -0.006 0.000 1.030 221 N CA 1.288 54.364 53.050 0.044 0.000 0.856 221 N CB -0.015 38.478 38.487 0.010 0.000 1.023 221 N HN -0.112 nan 8.380 nan 0.000 0.424 222 T N 0.301 114.817 114.554 -0.062 0.000 2.890 222 T HA 0.395 4.748 4.350 0.004 0.000 0.295 222 T C -0.771 173.762 174.700 -0.279 0.000 0.993 222 T CA -0.780 61.203 62.100 -0.195 0.000 0.979 222 T CB 1.754 70.514 68.868 -0.180 0.000 0.967 222 T HN 0.186 nan 8.240 nan 0.000 0.441 223 S N 2.499 117.991 115.700 -0.348 0.000 2.569 223 S HA 0.860 5.333 4.470 0.004 0.000 0.280 223 S C -1.701 172.602 174.600 -0.495 0.000 1.111 223 S CA -0.869 57.156 58.200 -0.291 0.000 0.887 223 S CB 1.410 64.674 63.200 0.108 0.000 1.095 223 S HN 0.502 nan 8.310 nan 0.000 0.476 224 Y N 0.662 120.997 120.300 0.058 0.000 2.536 224 Y HA 0.666 5.218 4.550 0.004 0.000 0.347 224 Y C -2.280 173.658 175.900 0.064 0.000 1.000 224 Y CA -2.113 56.028 58.100 0.068 0.000 1.051 224 Y CB 1.630 40.155 38.460 0.108 0.000 1.259 224 Y HN 0.492 nan 8.280 nan 0.000 0.468 225 P HA 0.097 nan 4.420 nan 0.000 0.337 225 P C 0.837 178.234 177.300 0.162 0.000 1.340 225 P CA 0.340 63.572 63.100 0.220 0.000 0.764 225 P CB 0.517 32.273 31.700 0.094 0.000 1.718 226 G N -0.972 107.901 108.800 0.121 0.000 2.422 226 G HA2 -0.117 3.846 3.960 0.004 0.000 0.218 226 G HA3 -0.117 3.846 3.960 0.004 0.000 0.218 226 G C 0.725 175.652 174.900 0.044 0.000 1.146 226 G CA 0.733 45.880 45.100 0.077 0.000 0.769 226 G HN 0.450 nan 8.290 nan 0.000 0.547 227 N N -0.456 118.267 118.700 0.039 0.000 2.469 227 N HA 0.196 4.938 4.740 0.004 0.000 0.286 227 N C -1.009 174.516 175.510 0.024 0.000 1.275 227 N CA -0.672 52.392 53.050 0.023 0.000 0.790 227 N CB 0.748 39.245 38.487 0.017 0.000 1.446 227 N HN 0.155 nan 8.380 nan 0.000 0.501 228 N N -0.576 118.146 118.700 0.036 0.000 2.454 228 N HA 0.104 4.847 4.740 0.004 0.000 0.254 228 N C -0.561 174.933 175.510 -0.026 0.000 1.228 228 N CA -0.060 53.024 53.050 0.057 0.000 0.900 228 N CB 0.791 39.370 38.487 0.153 0.000 1.089 228 N HN 0.147 nan 8.380 nan 0.000 0.449 229 V N 1.794 121.600 119.914 -0.180 0.000 2.407 229 V HA 0.175 4.297 4.120 0.004 0.000 0.278 229 V C 0.112 176.159 176.094 -0.079 0.000 1.037 229 V CA -0.618 61.535 62.300 -0.245 0.000 0.900 229 V CB 1.421 32.854 31.823 -0.650 0.000 0.983 229 V HN 0.636 nan 8.190 nan 0.000 0.459 230 S N 5.231 120.961 115.700 0.050 0.000 2.523 230 S HA 0.621 5.094 4.470 0.004 0.000 0.275 230 S C -0.465 174.264 174.600 0.216 0.000 1.281 230 S CA -0.287 57.995 58.200 0.138 0.000 1.050 230 S CB 0.900 64.162 63.200 0.103 0.000 0.937 230 S HN 0.567 nan 8.310 nan 0.000 0.492 231 L N 4.005 125.405 121.223 0.296 0.000 2.441 231 L HA 0.507 4.850 4.340 0.004 0.000 0.270 231 L C -0.296 176.757 176.870 0.305 0.000 0.973 231 L CA -0.168 54.873 54.840 0.334 0.000 0.842 231 L CB 1.692 44.036 42.059 0.475 0.000 1.239 231 L HN 0.690 nan 8.230 nan 0.000 0.406 232 T N 2.021 116.699 114.554 0.207 0.000 2.767 232 T HA 0.683 5.036 4.350 0.004 0.000 0.284 232 T C -0.297 174.507 174.700 0.172 0.000 0.973 232 T CA -0.690 61.512 62.100 0.171 0.000 0.996 232 T CB 1.274 70.200 68.868 0.097 0.000 0.927 232 T HN 0.325 nan 8.240 nan 0.000 0.456 233 V N 6.939 126.984 119.914 0.219 0.000 2.370 233 V HA 0.394 4.517 4.120 0.004 0.000 0.279 233 V C -1.656 174.509 176.094 0.118 0.000 1.029 233 V CA -1.860 60.548 62.300 0.181 0.000 0.870 233 V CB 0.938 32.924 31.823 0.271 0.000 0.984 233 V HN 0.831 nan 8.190 nan 0.000 0.451 234 P HA 0.082 nan 4.420 nan 0.000 0.274 234 P C -0.152 177.178 177.300 0.050 0.000 1.260 234 P CA -0.421 62.711 63.100 0.054 0.000 0.793 234 P CB 0.645 32.368 31.700 0.039 0.000 1.048 235 E N -0.280 119.942 120.200 0.037 0.000 2.708 235 E HA 0.130 4.482 4.350 0.004 0.000 0.260 235 E C 1.321 177.941 176.600 0.033 0.000 0.937 235 E CA 1.968 58.387 56.400 0.032 0.000 0.953 235 E CB -0.983 28.731 29.700 0.023 0.000 0.915 235 E HN 0.764 nan 8.360 nan 0.000 0.487 236 G N 2.346 111.167 108.800 0.034 0.000 2.217 236 G HA2 -0.142 3.820 3.960 0.004 0.000 0.246 236 G HA3 -0.142 3.820 3.960 0.004 0.000 0.246 236 G C 0.756 175.678 174.900 0.037 0.000 0.990 236 G CA 0.155 45.274 45.100 0.031 0.000 0.627 236 G HN 1.699 nan 8.290 nan 0.000 0.522 237 G N -1.154 107.675 108.800 0.049 0.000 2.756 237 G HA2 0.392 4.354 3.960 0.004 0.000 0.678 237 G HA3 0.392 4.354 3.960 0.004 0.000 0.678 237 G C -0.677 174.246 174.900 0.039 0.000 1.349 237 G CA 0.706 45.840 45.100 0.056 0.000 0.847 237 G HN 1.573 nan 8.290 nan 0.000 0.548 238 E N -0.789 119.431 120.200 0.032 0.000 2.363 238 E HA 0.426 4.778 4.350 0.004 0.000 0.281 238 E C -0.521 176.077 176.600 -0.003 0.000 0.953 238 E CA -0.881 55.526 56.400 0.012 0.000 0.778 238 E CB 1.333 31.038 29.700 0.009 0.000 1.220 238 E HN 0.629 nan 8.360 nan 0.000 0.431 239 K N 2.944 123.337 120.400 -0.010 0.000 2.339 239 K HA 0.308 4.630 4.320 0.004 0.000 0.286 239 K C -1.089 175.478 176.600 -0.056 0.000 1.050 239 K CA -0.238 56.038 56.287 -0.019 0.000 0.956 239 K CB 0.733 33.227 32.500 -0.010 0.000 0.990 239 K HN 0.228 nan 8.250 nan 0.000 0.475 240 V N 3.410 123.271 119.914 -0.089 0.000 2.555 240 V HA 0.262 4.385 4.120 0.004 0.000 0.302 240 V C -0.262 175.661 176.094 -0.286 0.000 1.038 240 V CA -0.886 61.265 62.300 -0.249 0.000 0.887 240 V CB 1.984 33.553 31.823 -0.423 0.000 0.991 240 V HN 0.793 nan 8.190 nan 0.000 0.434 241 T N 4.990 119.356 114.554 -0.313 0.000 2.795 241 T HA 0.658 5.010 4.350 0.004 0.000 0.282 241 T C -0.698 173.774 174.700 -0.379 0.000 0.980 241 T CA 0.021 62.002 62.100 -0.199 0.000 1.012 241 T CB 0.421 69.261 68.868 -0.046 0.000 0.936 241 T HN 0.314 nan 8.240 nan 0.000 0.457 242 F N 1.607 121.537 119.950 -0.033 0.000 2.443 242 F HA 0.542 5.071 4.527 0.004 0.000 0.335 242 F C 0.921 176.736 175.800 0.025 0.000 1.104 242 F CA -0.758 57.222 58.000 -0.032 0.000 1.013 242 F CB 1.861 40.765 39.000 -0.159 0.000 1.136 242 F HN 0.351 nan 8.300 nan 0.000 0.470 243 T N 2.413 117.121 114.554 0.257 0.000 2.861 243 T HA 0.342 4.695 4.350 0.004 0.000 0.287 243 T C -1.929 172.935 174.700 0.273 0.000 1.003 243 T CA -0.645 61.535 62.100 0.134 0.000 0.977 243 T CB 1.206 69.991 68.868 -0.138 0.000 0.996 243 T HN 0.419 nan 8.240 nan 0.000 0.448 244 Y N 3.970 124.322 120.300 0.086 0.000 2.361 244 Y HA 0.613 5.165 4.550 0.004 0.000 0.337 244 Y C -1.408 174.540 175.900 0.080 0.000 0.965 244 Y CA -1.688 56.461 58.100 0.081 0.000 1.091 244 Y CB 0.859 39.359 38.460 0.068 0.000 1.182 244 Y HN 0.451 nan 8.280 nan 0.000 0.450 245 I N 9.533 129.775 120.570 -0.548 0.000 2.330 245 I HA 0.268 4.440 4.170 0.004 0.000 0.286 245 I C -2.062 173.582 176.117 -0.789 0.000 1.025 245 I CA -2.521 58.511 61.300 -0.446 0.000 1.197 245 I CB 1.283 39.222 38.000 -0.101 0.000 1.358 245 I HN 0.537 nan 8.210 nan 0.000 0.467 246 P HA -0.153 nan 4.420 nan 0.000 0.215 246 P C 1.775 178.929 177.300 -0.243 0.000 1.153 246 P CA 1.467 64.311 63.100 -0.428 0.000 0.853 246 P CB 0.270 31.896 31.700 -0.124 0.000 0.788 247 S N -1.219 114.386 115.700 -0.158 0.000 2.383 247 S HA -0.160 4.312 4.470 0.004 0.000 0.229 247 S C 1.776 176.312 174.600 -0.107 0.000 1.030 247 S CA 2.114 60.261 58.200 -0.089 0.000 1.002 247 S CB -1.920 61.255 63.200 -0.042 0.000 0.829 247 S HN 0.325 nan 8.310 nan 0.000 0.467 248 T N -2.489 111.970 114.554 -0.159 0.000 3.003 248 T HA 0.338 4.690 4.350 0.004 0.000 0.261 248 T C 0.372 174.918 174.700 -0.256 0.000 1.003 248 T CA 0.146 62.158 62.100 -0.148 0.000 0.917 248 T CB -0.754 68.065 68.868 -0.082 0.000 1.084 248 T HN 0.493 nan 8.240 nan 0.000 0.522 249 N N 1.034 119.494 118.700 -0.400 0.000 2.753 249 N HA -0.179 4.564 4.740 0.004 0.000 0.251 249 N C -0.359 174.923 175.510 -0.380 0.000 1.097 249 N CA 0.452 53.163 53.050 -0.566 0.000 0.786 249 N CB -1.279 36.570 38.487 -1.064 0.000 1.137 249 N HN 0.627 nan 8.380 nan 0.000 0.566 250 Q N 0.413 120.023 119.800 -0.316 0.000 2.352 250 Q HA 0.439 4.781 4.340 0.004 0.000 0.260 250 Q C -0.425 175.400 176.000 -0.292 0.000 0.976 250 Q CA 0.106 55.715 55.803 -0.324 0.000 0.881 250 Q CB 1.403 29.957 28.738 -0.307 0.000 1.235 250 Q HN 0.043 nan 8.270 nan 0.000 0.419 251 V N 3.942 123.614 119.914 -0.403 0.000 2.531 251 V HA 0.502 4.625 4.120 0.004 0.000 0.301 251 V C -1.027 174.867 176.094 -0.334 0.000 1.034 251 V CA -0.574 61.659 62.300 -0.113 0.000 0.865 251 V CB 0.842 32.762 31.823 0.162 0.000 0.995 251 V HN 0.555 nan 8.190 nan 0.000 0.424 252 F N 2.308 122.443 119.950 0.308 0.000 2.603 252 F HA 0.715 5.244 4.527 0.004 0.000 0.317 252 F C -0.079 175.928 175.800 0.343 0.000 1.066 252 F CA -0.987 57.210 58.000 0.327 0.000 0.941 252 F CB 2.056 41.248 39.000 0.319 0.000 1.291 252 F HN 0.675 nan 8.300 nan 0.000 0.472 253 D N -2.088 118.625 120.400 0.521 0.000 2.547 253 D HA 0.390 5.032 4.640 0.004 0.000 0.231 253 D C 0.073 176.449 176.300 0.127 0.000 1.099 253 D CA -0.721 53.350 54.000 0.120 0.000 0.901 253 D CB 1.670 42.407 40.800 -0.104 0.000 1.478 253 D HN 0.367 nan 8.370 nan 0.000 0.471 254 S N -0.048 115.613 115.700 -0.065 0.000 2.561 254 S HA -0.045 4.428 4.470 0.004 0.000 0.225 254 S C 1.409 176.001 174.600 -0.014 0.000 0.977 254 S CA 0.309 58.506 58.200 -0.005 0.000 0.926 254 S CB -0.336 62.834 63.200 -0.050 0.000 0.769 254 S HN 0.379 nan 8.310 nan 0.000 0.533 255 V N 2.512 122.406 119.914 -0.033 0.000 2.374 255 V HA -0.008 4.114 4.120 0.004 0.000 0.241 255 V C 2.326 178.419 176.094 -0.002 0.000 1.034 255 V CA 1.317 63.610 62.300 -0.011 0.000 1.037 255 V CB -0.724 31.098 31.823 -0.002 0.000 0.682 255 V HN 0.470 nan 8.190 nan 0.000 0.463 256 N N -0.238 118.474 118.700 0.020 0.000 2.331 256 N HA -0.064 4.678 4.740 0.004 0.000 0.180 256 N C 0.248 175.538 175.510 -0.366 0.000 1.019 256 N CA 0.934 53.918 53.050 -0.109 0.000 0.881 256 N CB -0.061 38.416 38.487 -0.017 0.000 0.972 256 N HN 0.615 nan 8.380 nan 0.000 0.435 257 H N -1.155 117.986 119.070 0.118 0.000 2.607 257 H HA 0.240 4.798 4.556 0.004 0.000 0.248 257 H C -1.787 173.541 175.328 -0.000 0.000 1.355 257 H CA -1.228 54.866 56.048 0.076 0.000 1.524 257 H CB 1.748 31.604 29.762 0.157 0.000 1.563 257 H HN -0.008 nan 8.280 nan 0.000 0.509 258 P HA -0.176 nan 4.420 nan 0.000 0.211 258 P C 0.599 177.874 177.300 -0.042 0.000 1.179 258 P CA 1.160 64.258 63.100 -0.002 0.000 0.910 258 P CB 0.416 32.106 31.700 -0.016 0.000 0.785 259 N N -0.170 118.481 118.700 -0.081 0.000 2.660 259 N HA 0.045 4.787 4.740 0.004 0.000 0.316 259 N C -0.305 175.046 175.510 -0.265 0.000 1.774 259 N CA -0.092 52.866 53.050 -0.154 0.000 0.946 259 N CB -0.025 38.397 38.487 -0.110 0.000 1.322 259 N HN 0.053 nan 8.380 nan 0.000 0.492 260 Q N 0.792 120.363 119.800 -0.381 0.000 2.364 260 Q HA 0.193 4.535 4.340 0.004 0.000 0.267 260 Q C -0.474 174.935 176.000 -0.986 0.000 0.999 260 Q CA 0.040 55.471 55.803 -0.621 0.000 0.886 260 Q CB 1.116 29.386 28.738 -0.780 0.000 1.243 260 Q HN 0.416 nan 8.270 nan 0.000 0.415 261 A N 3.773 126.155 122.820 -0.730 0.000 2.363 261 A HA 0.509 4.831 4.320 0.004 0.000 0.270 261 A C -1.016 176.187 177.584 -0.635 0.000 1.121 261 A CA -0.225 51.455 52.037 -0.594 0.000 0.800 261 A CB 0.105 18.932 19.000 -0.287 0.000 1.052 261 A HN 0.510 nan 8.150 nan 0.000 0.493 262 F N 2.909 122.777 119.950 -0.136 0.000 2.482 262 F HA 0.503 5.032 4.527 0.004 0.000 0.331 262 F C -1.642 174.123 175.800 -0.057 0.000 1.115 262 F CA -2.579 55.361 58.000 -0.101 0.000 0.955 262 F CB 1.231 40.183 39.000 -0.079 0.000 1.136 262 F HN 0.430 nan 8.300 nan 0.000 0.452 263 P HA 0.248 nan 4.420 nan 0.000 0.274 263 P C -0.056 177.281 177.300 0.061 0.000 1.231 263 P CA -0.375 62.771 63.100 0.077 0.000 0.790 263 P CB 1.011 32.749 31.700 0.064 0.000 0.951 264 T N -3.068 111.508 114.554 0.035 0.000 3.331 264 T HA 0.340 4.693 4.350 0.004 0.000 0.282 264 T C 0.203 174.912 174.700 0.015 0.000 1.010 264 T CA -0.507 61.605 62.100 0.021 0.000 0.928 264 T CB -0.495 68.382 68.868 0.015 0.000 1.154 264 T HN 0.428 nan 8.240 nan 0.000 0.516 265 S N -0.446 115.266 115.700 0.019 0.000 2.548 265 S HA 0.567 5.039 4.470 0.004 0.000 0.286 265 S C 0.455 175.067 174.600 0.019 0.000 1.098 265 S CA -0.587 57.624 58.200 0.018 0.000 0.930 265 S CB 1.959 65.171 63.200 0.020 0.000 1.070 265 S HN 0.136 nan 8.310 nan 0.000 0.480 266 S N 2.193 117.905 115.700 0.020 0.000 2.605 266 S HA 0.347 4.819 4.470 0.004 0.000 0.217 266 S C 0.719 175.334 174.600 0.025 0.000 0.958 266 S CA 0.059 58.272 58.200 0.021 0.000 0.919 266 S CB -0.283 62.930 63.200 0.021 0.000 0.780 266 S HN 0.942 nan 8.310 nan 0.000 0.507 267 A N 0.845 123.682 122.820 0.027 0.000 2.567 267 A HA 0.442 4.764 4.320 0.004 0.000 0.240 267 A C 1.544 179.141 177.584 0.022 0.000 1.053 267 A CA 0.794 52.849 52.037 0.030 0.000 0.755 267 A CB -0.598 18.419 19.000 0.028 0.000 0.978 267 A HN 0.841 nan 8.150 nan 0.000 0.507 268 G N 1.143 109.958 108.800 0.024 0.000 2.345 268 G HA2 -0.194 3.769 3.960 0.004 0.000 0.218 268 G HA3 -0.194 3.769 3.960 0.004 0.000 0.218 268 G C 0.373 175.281 174.900 0.014 0.000 1.058 268 G CA -0.071 45.038 45.100 0.015 0.000 0.632 268 G HN 1.577 nan 8.290 nan 0.000 0.508 269 V N 2.701 122.624 119.914 0.015 0.000 2.617 269 V HA 0.287 4.410 4.120 0.004 0.000 0.304 269 V C 0.725 176.838 176.094 0.031 0.000 1.040 269 V CA 0.817 63.127 62.300 0.016 0.000 1.149 269 V CB 1.102 32.936 31.823 0.018 0.000 0.914 269 V HN 0.544 nan 8.190 nan 0.000 0.487 270 Q N 2.758 122.576 119.800 0.031 0.000 2.256 270 Q HA 0.678 5.020 4.340 0.004 0.000 0.257 270 Q C -0.157 175.869 176.000 0.042 0.000 0.936 270 Q CA -0.271 55.557 55.803 0.042 0.000 0.903 270 Q CB 2.040 30.802 28.738 0.040 0.000 1.263 270 Q HN 0.827 nan 8.270 nan 0.000 0.440 271 T N 0.636 115.219 114.554 0.049 0.000 2.886 271 T HA 0.231 4.584 4.350 0.004 0.000 0.330 271 T C -1.052 173.673 174.700 0.040 0.000 1.488 271 T CA -0.670 61.453 62.100 0.039 0.000 1.054 271 T CB 0.767 69.652 68.868 0.028 0.000 1.348 271 T HN 0.779 nan 8.240 nan 0.000 0.489 272 N N 2.868 121.582 118.700 0.024 0.000 2.204 272 N HA 0.292 5.035 4.740 0.004 0.000 0.219 272 N C -0.575 174.923 175.510 -0.019 0.000 1.151 272 N CA -0.245 52.811 53.050 0.011 0.000 0.867 272 N CB 0.394 38.894 38.487 0.022 0.000 1.043 272 N HN 0.348 nan 8.380 nan 0.000 0.516 273 L N 0.598 121.810 121.223 -0.018 0.000 2.491 273 L HA 0.533 4.876 4.340 0.004 0.000 0.267 273 L C -1.646 175.193 176.870 -0.051 0.000 0.971 273 L CA -0.713 54.105 54.840 -0.038 0.000 0.857 273 L CB 1.956 44.001 42.059 -0.024 0.000 1.226 273 L HN -0.127 nan 8.230 nan 0.000 0.408 274 V N 3.983 123.837 119.914 -0.099 0.000 2.555 274 V HA 0.516 4.638 4.120 0.004 0.000 0.302 274 V C -0.310 175.673 176.094 -0.184 0.000 1.038 274 V CA -0.615 61.587 62.300 -0.163 0.000 0.887 274 V CB 1.778 33.412 31.823 -0.315 0.000 0.991 274 V HN 0.761 nan 8.190 nan 0.000 0.434 275 Q N 3.942 123.651 119.800 -0.150 0.000 2.340 275 Q HA 0.605 4.947 4.340 0.004 0.000 0.259 275 Q C -1.589 174.310 176.000 -0.169 0.000 0.964 275 Q CA -0.491 55.237 55.803 -0.126 0.000 0.900 275 Q CB 1.184 29.884 28.738 -0.064 0.000 1.228 275 Q HN 0.711 nan 8.270 nan 0.000 0.449 276 L N 3.168 124.278 121.223 -0.188 0.000 2.309 276 L HA 0.499 4.841 4.340 0.004 0.000 0.282 276 L C -0.138 176.674 176.870 -0.096 0.000 1.036 276 L CA -0.689 54.037 54.840 -0.190 0.000 0.806 276 L CB 1.933 43.836 42.059 -0.260 0.000 1.220 276 L HN 0.568 nan 8.230 nan 0.000 0.429 277 T N 4.043 118.556 114.554 -0.069 0.000 2.795 277 T HA 0.587 4.939 4.350 0.004 0.000 0.282 277 T C -0.057 174.630 174.700 -0.021 0.000 0.980 277 T CA -0.444 61.635 62.100 -0.035 0.000 1.012 277 T CB 1.102 69.954 68.868 -0.025 0.000 0.936 277 T HN 0.274 nan 8.240 nan 0.000 0.457 278 L N 1.774 122.991 121.223 -0.010 0.000 2.334 278 L HA 0.570 4.913 4.340 0.004 0.000 0.272 278 L C 1.560 178.434 176.870 0.006 0.000 1.020 278 L CA -1.076 53.765 54.840 0.002 0.000 0.812 278 L CB 1.129 43.193 42.059 0.008 0.000 1.264 278 L HN 0.761 nan 8.230 nan 0.000 0.439 279 A N 1.286 124.113 122.820 0.011 0.000 1.968 279 A HA -0.005 4.318 4.320 0.004 0.000 0.217 279 A C 0.958 178.547 177.584 0.009 0.000 1.169 279 A CA 1.318 53.361 52.037 0.010 0.000 0.638 279 A CB -0.198 18.811 19.000 0.014 0.000 0.812 279 A HN 0.748 nan 8.150 nan 0.000 0.446 280 S N -2.439 113.268 115.700 0.012 0.000 2.595 280 S HA 0.720 5.192 4.470 0.004 0.000 0.281 280 S C -0.431 174.176 174.600 0.012 0.000 1.117 280 S CA -0.242 57.964 58.200 0.010 0.000 0.873 280 S CB 1.616 64.823 63.200 0.012 0.000 1.108 280 S HN 1.105 nan 8.310 nan 0.000 0.477 281 A N 2.385 125.210 122.820 0.009 0.000 2.347 281 A HA 0.651 4.973 4.320 0.004 0.000 0.287 281 A C -2.325 175.264 177.584 0.009 0.000 1.199 281 A CA -1.185 50.860 52.037 0.013 0.000 0.851 281 A CB -1.045 17.964 19.000 0.015 0.000 1.118 281 A HN 0.664 nan 8.150 nan 0.000 0.525 282 P HA 0.132 nan 4.420 nan 0.000 0.272 282 P C -0.526 176.751 177.300 -0.037 0.000 1.230 282 P CA -0.400 62.700 63.100 0.000 0.000 0.788 282 P CB 0.522 32.232 31.700 0.017 0.000 0.949 283 D N 0.893 121.223 120.400 -0.116 0.000 2.339 283 D HA -0.001 4.642 4.640 0.004 0.000 0.256 283 D C 1.181 177.375 176.300 -0.176 0.000 1.214 283 D CA -0.218 53.631 54.000 -0.251 0.000 0.877 283 D CB 0.913 41.275 40.800 -0.730 0.000 1.111 283 D HN 0.114 nan 8.370 nan 0.000 0.478 284 V N 2.137 121.982 119.914 -0.116 0.000 3.078 284 V HA -0.125 3.997 4.120 0.004 0.000 0.265 284 V C 1.740 177.775 176.094 -0.098 0.000 1.122 284 V CA 1.855 64.078 62.300 -0.129 0.000 1.141 284 V CB -1.333 30.327 31.823 -0.272 0.000 0.735 284 V HN 0.667 nan 8.190 nan 0.000 0.498 285 T N -3.282 111.231 114.554 -0.068 0.000 3.081 285 T HA 0.137 4.489 4.350 0.004 0.000 0.250 285 T C 0.717 175.540 174.700 0.206 0.000 1.100 285 T CA 0.034 62.162 62.100 0.047 0.000 1.038 285 T CB -0.425 68.498 68.868 0.092 0.000 0.962 285 T HN 0.587 nan 8.240 nan 0.000 0.516 286 H N 1.788 120.858 119.070 -0.000 0.000 2.499 286 H HA 0.552 5.109 4.556 0.001 0.000 0.352 286 H C -0.054 175.275 175.328 0.001 0.000 1.237 286 H CA -1.506 54.545 56.048 0.006 0.000 1.343 286 H CB 0.467 30.235 29.762 0.010 0.000 1.578 286 H HN 0.110 nan 8.280 nan 0.000 0.577 287 N N 1.520 120.280 118.700 0.100 0.000 2.439 287 N HA 0.123 4.866 4.740 0.004 0.000 0.243 287 N C -1.336 174.206 175.510 0.054 0.000 1.088 287 N CA -0.134 52.943 53.050 0.046 0.000 0.940 287 N CB -0.467 38.022 38.487 0.002 0.000 1.180 287 N HN 0.350 nan 8.380 nan 0.000 0.505 288 L N 1.832 123.090 121.223 0.058 0.000 2.317 288 L HA 0.545 4.887 4.340 0.004 0.000 0.281 288 L C -0.241 176.657 176.870 0.046 0.000 1.024 288 L CA -0.917 53.958 54.840 0.058 0.000 0.810 288 L CB 1.545 43.642 42.059 0.062 0.000 1.240 288 L HN 0.276 nan 8.230 nan 0.000 0.427 289 D N 1.073 121.502 120.400 0.048 0.000 2.671 289 D HA 0.624 5.266 4.640 0.004 0.000 0.232 289 D C -1.327 175.016 176.300 0.072 0.000 1.114 289 D CA -0.180 53.851 54.000 0.051 0.000 0.858 289 D CB 3.155 43.975 40.800 0.034 0.000 1.544 289 D HN 0.152 nan 8.370 nan 0.000 0.471 290 V N 0.712 120.683 119.914 0.095 0.000 2.735 290 V HA 0.941 5.063 4.120 0.004 0.000 0.310 290 V C -1.308 174.868 176.094 0.138 0.000 1.061 290 V CA -0.291 62.083 62.300 0.123 0.000 0.913 290 V CB 1.475 33.374 31.823 0.126 0.000 1.005 290 V HN 0.732 nan 8.190 nan 0.000 0.428 291 A N 4.528 127.436 122.820 0.147 0.000 2.594 291 A HA 1.068 5.391 4.320 0.004 0.000 0.291 291 A C -0.761 176.835 177.584 0.020 0.000 1.105 291 A CA -0.164 51.931 52.037 0.098 0.000 0.694 291 A CB 1.930 20.969 19.000 0.065 0.000 1.291 291 A HN 2.140 nan 8.150 nan 0.000 0.410 292 A N 0.069 122.820 122.820 -0.114 0.000 2.515 292 A HA 0.697 5.020 4.320 0.004 0.000 0.296 292 A C -1.331 176.204 177.584 -0.083 0.000 1.094 292 A CA -0.653 51.169 52.037 -0.358 0.000 0.718 292 A CB 0.832 19.192 19.000 -1.067 0.000 1.307 292 A HN 0.718 nan 8.150 nan 0.000 0.408 293 D N 0.815 121.152 120.400 -0.105 0.000 2.472 293 D HA 0.364 5.007 4.640 0.004 0.000 0.248 293 D C 1.354 177.625 176.300 -0.049 0.000 1.174 293 D CA 2.334 56.304 54.000 -0.051 0.000 0.883 293 D CB 0.661 41.427 40.800 -0.056 0.000 1.149 293 D HN 1.394 nan 8.370 nan 0.000 0.488 294 G N 2.378 111.123 108.800 -0.091 0.000 2.176 294 G HA2 -0.291 3.671 3.960 0.004 0.000 0.253 294 G HA3 -0.291 3.671 3.960 0.004 0.000 0.253 294 G C -0.108 174.589 174.900 -0.339 0.000 0.979 294 G CA -0.036 44.934 45.100 -0.217 0.000 0.641 294 G HN 0.503 nan 8.290 nan 0.000 0.530 295 Y N 0.560 120.815 120.300 -0.074 0.000 2.341 295 Y HA 0.545 5.097 4.550 0.004 0.000 0.338 295 Y C 0.664 176.548 175.900 -0.026 0.000 0.965 295 Y CA -0.865 57.204 58.100 -0.051 0.000 1.108 295 Y CB 1.420 39.837 38.460 -0.072 0.000 1.180 295 Y HN 0.121 nan 8.280 nan 0.000 0.458 296 K N 2.598 123.083 120.400 0.141 0.000 2.489 296 K HA 0.377 4.699 4.320 0.004 0.000 0.278 296 K C 0.074 176.751 176.600 0.127 0.000 1.000 296 K CA -0.144 56.204 56.287 0.102 0.000 1.012 296 K CB 0.406 32.956 32.500 0.084 0.000 0.903 296 K HN 0.836 nan 8.250 nan 0.000 0.485 297 A N 3.788 126.665 122.820 0.095 0.000 2.406 297 A HA 0.123 4.445 4.320 0.004 0.000 0.243 297 A C -0.492 177.171 177.584 0.132 0.000 1.082 297 A CA -0.028 52.070 52.037 0.101 0.000 0.786 297 A CB 0.295 19.332 19.000 0.062 0.000 1.029 297 A HN 0.902 nan 8.150 nan 0.000 0.495 298 H N 0.474 119.561 119.070 0.029 0.000 2.930 298 H HA 0.273 4.832 4.556 0.004 0.000 0.371 298 H C -0.594 174.738 175.328 0.007 0.000 1.169 298 H CA -0.672 55.382 56.048 0.010 0.000 1.157 298 H CB 1.362 31.119 29.762 -0.008 0.000 1.789 298 H HN 0.885 nan 8.280 nan 0.000 0.547 299 N N 2.321 120.889 118.700 -0.220 0.000 2.395 299 N HA 0.049 4.791 4.740 0.004 0.000 0.246 299 N C -0.501 175.095 175.510 0.144 0.000 1.246 299 N CA 0.170 53.194 53.050 -0.043 0.000 0.879 299 N CB 0.367 38.777 38.487 -0.128 0.000 1.098 299 N HN 0.396 nan 8.380 nan 0.000 0.444 300 I N 3.211 123.837 120.570 0.093 0.000 2.307 300 I HA 0.206 4.379 4.170 0.004 0.000 0.289 300 I C -0.452 175.723 176.117 0.097 0.000 1.021 300 I CA -0.905 60.452 61.300 0.095 0.000 1.224 300 I CB 0.938 38.981 38.000 0.072 0.000 1.376 300 I HN 0.422 nan 8.210 nan 0.000 0.470 301 L N 9.965 131.274 121.223 0.143 0.000 2.276 301 L HA 0.528 4.870 4.340 0.004 0.000 0.286 301 L C -2.363 174.613 176.870 0.177 0.000 1.061 301 L CA -1.605 53.336 54.840 0.168 0.000 0.807 301 L CB 0.729 42.934 42.059 0.245 0.000 1.177 301 L HN 0.272 nan 8.230 nan 0.000 0.429 302 P HA 0.161 nan 4.420 nan 0.000 0.267 302 P C -0.778 176.503 177.300 -0.031 0.000 1.209 302 P CA 0.152 63.234 63.100 -0.031 0.000 0.763 302 P CB 0.942 32.545 31.700 -0.161 0.000 0.816 303 R N 3.358 123.830 120.500 -0.047 0.000 2.420 303 R HA 0.205 4.547 4.340 0.004 0.000 0.126 303 R C 1.057 177.338 176.300 -0.030 0.000 1.871 303 R CA -0.192 55.859 56.100 -0.081 0.000 1.558 303 R CB -0.213 29.842 30.300 -0.409 0.000 1.338 303 R HN 0.154 nan 8.270 nan 0.000 0.471 304 N N 1.362 120.042 118.700 -0.032 0.000 2.515 304 N HA -0.084 4.658 4.740 0.004 0.000 0.185 304 N C 1.456 176.978 175.510 0.020 0.000 1.109 304 N CA 0.503 53.566 53.050 0.020 0.000 0.903 304 N CB 0.095 38.611 38.487 0.048 0.000 0.969 304 N HN 0.138 nan 8.380 nan 0.000 0.450 305 V N 1.066 120.973 119.914 -0.013 0.000 2.469 305 V HA -0.147 3.976 4.120 0.004 0.000 0.251 305 V C 1.751 177.846 176.094 0.002 0.000 1.064 305 V CA 1.304 63.608 62.300 0.007 0.000 1.066 305 V CB -0.238 31.571 31.823 -0.023 0.000 0.667 305 V HN 0.253 nan 8.190 nan 0.000 0.461 306 L N 0.431 121.541 121.223 -0.189 0.000 2.465 306 L HA -0.039 4.303 4.340 0.004 0.000 0.224 306 L C 2.095 178.997 176.870 0.053 0.000 1.145 306 L CA 0.717 55.377 54.840 -0.301 0.000 0.834 306 L CB -0.787 40.756 42.059 -0.859 0.000 0.944 306 L HN 0.368 nan 8.230 nan 0.000 0.451 307 N N 0.427 119.193 118.700 0.109 0.000 2.381 307 N HA -0.028 4.714 4.740 0.004 0.000 0.182 307 N C 0.728 176.326 175.510 0.148 0.000 1.025 307 N CA 0.638 53.777 53.050 0.148 0.000 0.888 307 N CB -0.255 38.304 38.487 0.119 0.000 0.965 307 N HN 0.277 nan 8.380 nan 0.000 0.438 308 L N 1.406 122.746 121.223 0.196 0.000 2.483 308 L HA 0.037 4.379 4.340 0.004 0.000 0.276 308 L C -0.965 175.947 176.870 0.069 0.000 1.213 308 L CA -1.213 53.702 54.840 0.125 0.000 0.843 308 L CB 0.251 42.382 42.059 0.120 0.000 1.107 308 L HN -0.098 nan 8.230 nan 0.000 0.487 309 P HA -0.209 nan 4.420 nan 0.000 0.217 309 P C 1.217 178.474 177.300 -0.073 0.000 1.148 309 P CA 1.327 64.413 63.100 -0.024 0.000 0.834 309 P CB -0.012 31.666 31.700 -0.036 0.000 0.783 310 R N -1.521 118.857 120.500 -0.205 0.000 2.193 310 R HA -0.119 4.223 4.340 0.004 0.000 0.229 310 R C 0.843 176.918 176.300 -0.375 0.000 1.110 310 R CA 1.468 57.352 56.100 -0.360 0.000 0.988 310 R CB -1.151 28.812 30.300 -0.561 0.000 0.871 310 R HN 0.223 nan 8.270 nan 0.000 0.458 311 Y N 0.441 120.804 120.300 0.104 0.000 2.607 311 Y HA 0.296 4.847 4.550 0.003 0.000 0.266 311 Y C -0.179 175.905 175.900 0.307 0.000 1.178 311 Y CA -1.231 57.009 58.100 0.234 0.000 1.226 311 Y CB 0.260 38.844 38.460 0.206 0.000 1.144 311 Y HN 0.027 nan 8.280 nan 0.000 0.528 312 D N 0.516 121.045 120.400 0.214 0.000 2.412 312 D HA 0.032 4.675 4.640 0.004 0.000 0.224 312 D C -1.340 175.012 176.300 0.087 0.000 1.093 312 D CA -0.497 53.550 54.000 0.078 0.000 0.850 312 D CB 0.340 41.151 40.800 0.017 0.000 1.046 312 D HN 0.171 nan 8.370 nan 0.000 0.507 313 Y N 2.551 122.801 120.300 -0.082 0.000 2.341 313 Y HA 0.225 4.778 4.550 0.004 0.000 0.340 313 Y C 1.041 176.902 175.900 -0.065 0.000 0.997 313 Y CA -0.390 57.688 58.100 -0.037 0.000 1.149 313 Y CB 1.250 39.724 38.460 0.025 0.000 1.171 313 Y HN 0.270 nan 8.280 nan 0.000 0.494 314 S N 2.546 117.879 115.700 -0.611 0.000 2.539 314 S HA 0.325 4.797 4.470 0.004 0.000 0.221 314 S C 0.855 175.124 174.600 -0.551 0.000 0.987 314 S CA -0.043 57.895 58.200 -0.437 0.000 0.929 314 S CB -0.231 62.820 63.200 -0.249 0.000 0.832 314 S HN 0.837 nan 8.310 nan 0.000 0.492 315 G N 2.450 110.566 108.800 -1.141 0.000 2.636 315 G HA2 0.281 4.244 3.960 0.004 0.000 0.246 315 G HA3 0.281 4.244 3.960 0.004 0.000 0.246 315 G C 0.442 175.243 174.900 -0.166 0.000 1.216 315 G CA -0.333 44.416 45.100 -0.585 0.000 0.854 315 G HN 0.509 nan 8.290 nan 0.000 0.572 316 N N -0.734 117.946 118.700 -0.033 0.000 2.251 316 N HA 0.017 4.760 4.740 0.004 0.000 0.217 316 N C 0.350 175.889 175.510 0.049 0.000 1.124 316 N CA 0.283 53.346 53.050 0.021 0.000 0.843 316 N CB 0.738 39.236 38.487 0.018 0.000 1.024 316 N HN 0.494 nan 8.380 nan 0.000 0.501 317 D N -0.101 120.352 120.400 0.088 0.000 2.462 317 D HA 0.069 4.712 4.640 0.004 0.000 0.221 317 D C 0.066 176.366 176.300 -0.001 0.000 1.173 317 D CA -0.460 53.575 54.000 0.057 0.000 0.831 317 D CB -0.218 40.630 40.800 0.081 0.000 1.001 317 D HN 0.156 nan 8.370 nan 0.000 0.499 318 L N 0.824 121.977 121.223 -0.117 0.000 2.490 318 L HA 0.382 4.724 4.340 0.004 0.000 0.274 318 L C 1.512 178.163 176.870 -0.365 0.000 1.201 318 L CA 1.200 55.818 54.840 -0.371 0.000 0.869 318 L CB 0.312 41.874 42.059 -0.828 0.000 1.123 318 L HN 0.421 nan 8.230 nan 0.000 0.484 319 G N 2.961 111.753 108.800 -0.013 0.000 2.418 319 G HA2 -0.197 3.765 3.960 0.004 0.000 0.206 319 G HA3 -0.197 3.765 3.960 0.004 0.000 0.206 319 G C -0.977 174.039 174.900 0.192 0.000 1.202 319 G CA -0.163 45.091 45.100 0.258 0.000 1.061 319 G HN 0.882 nan 8.290 nan 0.000 0.563 320 N N -0.504 118.245 118.700 0.082 0.000 2.361 320 N HA 0.557 5.300 4.740 0.004 0.000 0.302 320 N C -1.081 174.320 175.510 -0.181 0.000 1.074 320 N CA -0.515 52.379 53.050 -0.261 0.000 0.850 320 N CB 2.707 40.880 38.487 -0.524 0.000 1.228 320 N HN 0.731 nan 8.380 nan 0.000 0.491 321 V N 2.455 122.217 119.914 -0.253 0.000 2.349 321 V HA 0.179 4.302 4.120 0.004 0.000 0.284 321 V C -1.026 174.982 176.094 -0.143 0.000 1.014 321 V CA -0.829 61.396 62.300 -0.126 0.000 0.826 321 V CB 0.208 31.976 31.823 -0.092 0.000 1.009 321 V HN 0.704 nan 8.190 nan 0.000 0.431 322 Y N 5.075 125.271 120.300 -0.172 0.000 2.304 322 Y HA 0.644 5.196 4.550 0.004 0.000 0.328 322 Y C 0.546 176.385 175.900 -0.101 0.000 1.123 322 Y CA 0.091 58.098 58.100 -0.156 0.000 1.218 322 Y CB 1.384 39.773 38.460 -0.120 0.000 1.207 322 Y HN 0.719 nan 8.280 nan 0.000 0.495 323 S N 4.400 119.463 115.700 -1.062 0.000 2.627 323 S HA 0.365 4.837 4.470 0.004 0.000 0.283 323 S C 0.374 174.284 174.600 -1.151 0.000 1.127 323 S CA -1.008 56.618 58.200 -0.956 0.000 0.863 323 S CB 1.996 64.950 63.200 -0.410 0.000 1.121 323 S HN 0.815 nan 8.310 nan 0.000 0.479 324 K N 0.030 120.072 120.400 -0.596 0.000 2.103 324 K HA -0.132 4.191 4.320 0.004 0.000 0.207 324 K C 0.633 177.105 176.600 -0.213 0.000 1.048 324 K CA 2.001 58.119 56.287 -0.281 0.000 0.930 324 K CB -0.243 32.201 32.500 -0.094 0.000 0.716 324 K HN 0.610 nan 8.250 nan 0.000 0.444 325 D N -0.856 119.417 120.400 -0.212 0.000 2.249 325 D HA 0.069 4.712 4.640 0.004 0.000 0.205 325 D C -0.064 176.148 176.300 -0.147 0.000 0.962 325 D CA 0.604 54.519 54.000 -0.141 0.000 0.860 325 D CB 0.690 41.425 40.800 -0.109 0.000 0.955 325 D HN 0.234 nan 8.370 nan 0.000 0.505 326 A N -0.777 121.918 122.820 -0.209 0.000 2.599 326 A HA 0.548 4.871 4.320 0.004 0.000 0.294 326 A C -1.044 176.402 177.584 -0.228 0.000 1.055 326 A CA -0.617 51.318 52.037 -0.170 0.000 0.683 326 A CB 1.296 20.226 19.000 -0.117 0.000 1.278 326 A HN -0.109 nan 8.150 nan 0.000 0.412 327 T N 1.717 116.167 114.554 -0.172 0.000 2.824 327 T HA 0.660 5.012 4.350 0.004 0.000 0.282 327 T C -0.170 174.353 174.700 -0.294 0.000 0.993 327 T CA -0.225 61.709 62.100 -0.277 0.000 0.967 327 T CB 1.414 70.097 68.868 -0.308 0.000 0.960 327 T HN 0.635 nan 8.240 nan 0.000 0.441 328 S N 2.208 117.693 115.700 -0.358 0.000 2.509 328 S HA 0.755 5.227 4.470 0.004 0.000 0.297 328 S C -1.021 173.345 174.600 -0.391 0.000 1.118 328 S CA -0.639 57.440 58.200 -0.202 0.000 1.074 328 S CB 0.448 63.596 63.200 -0.086 0.000 1.038 328 S HN 0.494 nan 8.310 nan 0.000 0.498 329 F N 1.512 121.481 119.950 0.031 0.000 2.532 329 F HA 0.675 5.205 4.527 0.004 0.000 0.321 329 F C 0.369 176.236 175.800 0.113 0.000 1.089 329 F CA -0.828 57.236 58.000 0.107 0.000 0.926 329 F CB 1.605 40.712 39.000 0.178 0.000 1.168 329 F HN 0.331 nan 8.300 nan 0.000 0.459 330 R N 1.787 122.462 120.500 0.293 0.000 2.535 330 R HA 0.769 5.111 4.340 0.004 0.000 0.274 330 R C -2.409 173.949 176.300 0.096 0.000 1.090 330 R CA -0.645 55.530 56.100 0.126 0.000 0.930 330 R CB 2.441 32.749 30.300 0.013 0.000 1.223 330 R HN 0.640 nan 8.270 nan 0.000 0.441 331 V N 4.711 124.626 119.914 0.003 0.000 2.841 331 V HA 0.527 4.649 4.120 0.004 0.000 0.310 331 V C -1.648 174.538 176.094 0.155 0.000 1.090 331 V CA -0.761 61.543 62.300 0.005 0.000 0.930 331 V CB 1.891 33.437 31.823 -0.462 0.000 1.014 331 V HN 0.855 nan 8.190 nan 0.000 0.425 332 W N 6.728 128.082 121.300 0.090 0.000 2.342 332 W HA 0.709 5.372 4.660 0.005 0.000 0.310 332 W C 0.034 176.647 176.519 0.156 0.000 1.128 332 W CA -0.154 57.267 57.345 0.126 0.000 1.322 332 W CB 1.138 30.712 29.460 0.190 0.000 1.251 332 W HN 0.789 nan 8.180 nan 0.000 0.439 333 A N 9.226 131.907 122.820 -0.232 0.000 3.300 333 A HA 0.299 4.621 4.320 0.004 0.000 0.300 333 A C -1.873 175.528 177.584 -0.305 0.000 1.099 333 A CA -0.797 51.069 52.037 -0.285 0.000 0.846 333 A CB 0.537 19.439 19.000 -0.163 0.000 1.255 333 A HN 0.467 nan 8.150 nan 0.000 0.519 334 P HA -0.094 nan 4.420 nan 0.000 0.226 334 P C 1.138 178.245 177.300 -0.322 0.000 1.153 334 P CA 1.772 64.565 63.100 -0.512 0.000 0.777 334 P CB 0.027 31.238 31.700 -0.815 0.000 0.794 335 T N -4.367 110.001 114.554 -0.310 0.000 3.069 335 T HA 0.456 4.808 4.350 0.004 0.000 0.252 335 T C 0.946 175.612 174.700 -0.058 0.000 1.053 335 T CA -0.234 61.757 62.100 -0.182 0.000 0.964 335 T CB -0.350 68.398 68.868 -0.201 0.000 1.005 335 T HN 0.038 nan 8.240 nan 0.000 0.532 336 A N 1.833 124.636 122.820 -0.028 0.000 2.462 336 A HA 0.551 4.874 4.320 0.004 0.000 0.243 336 A C 1.616 179.276 177.584 0.127 0.000 1.076 336 A CA 0.046 52.069 52.037 -0.022 0.000 0.773 336 A CB 0.384 19.256 19.000 -0.213 0.000 1.010 336 A HN 0.532 nan 8.150 nan 0.000 0.493 337 S N 1.229 116.972 115.700 0.071 0.000 2.458 337 S HA 0.080 4.552 4.470 0.004 0.000 0.223 337 S C 0.538 175.243 174.600 0.174 0.000 1.019 337 S CA 0.647 58.941 58.200 0.156 0.000 0.937 337 S CB -0.176 63.080 63.200 0.092 0.000 0.788 337 S HN 0.779 nan 8.310 nan 0.000 0.511 338 N N -0.374 118.253 118.700 -0.121 0.000 2.367 338 N HA 0.515 5.258 4.740 0.004 0.000 0.278 338 N C -2.178 172.827 175.510 -0.842 0.000 1.117 338 N CA -0.471 52.351 53.050 -0.381 0.000 0.867 338 N CB 2.333 40.745 38.487 -0.124 0.000 1.649 338 N HN 0.007 nan 8.380 nan 0.000 0.479 339 V N 2.604 121.727 119.914 -1.319 0.000 2.577 339 V HA 0.511 4.633 4.120 0.004 0.000 0.303 339 V C -0.541 175.342 176.094 -0.352 0.000 1.042 339 V CA -0.697 61.083 62.300 -0.867 0.000 0.872 339 V CB 1.661 32.770 31.823 -1.190 0.000 0.998 339 V HN 0.579 nan 8.190 nan 0.000 0.423 340 Q N 2.766 122.474 119.800 -0.152 0.000 2.345 340 Q HA 0.638 4.980 4.340 0.004 0.000 0.268 340 Q C -1.220 174.817 176.000 0.062 0.000 1.054 340 Q CA -1.056 54.731 55.803 -0.027 0.000 0.835 340 Q CB 3.167 31.891 28.738 -0.024 0.000 1.339 340 Q HN 0.600 nan 8.270 nan 0.000 0.447 341 L N 2.643 123.895 121.223 0.048 0.000 2.276 341 L HA 0.368 4.710 4.340 0.004 0.000 0.286 341 L C -1.453 175.397 176.870 -0.034 0.000 1.061 341 L CA 0.016 54.870 54.840 0.023 0.000 0.807 341 L CB 0.541 42.506 42.059 -0.156 0.000 1.177 341 L HN 0.474 nan 8.230 nan 0.000 0.429 342 L N 6.834 128.057 121.223 -0.001 0.000 2.280 342 L HA 0.464 4.807 4.340 0.004 0.000 0.287 342 L C -0.672 176.157 176.870 -0.067 0.000 1.023 342 L CA -0.453 54.339 54.840 -0.081 0.000 0.819 342 L CB 1.182 43.229 42.059 -0.019 0.000 1.212 342 L HN 0.536 nan 8.230 nan 0.000 0.420 343 L N 3.974 125.103 121.223 -0.157 0.000 2.317 343 L HA 0.513 4.855 4.340 0.004 0.000 0.281 343 L C -1.150 175.710 176.870 -0.017 0.000 1.024 343 L CA -0.578 54.321 54.840 0.098 0.000 0.810 343 L CB 1.514 43.671 42.059 0.164 0.000 1.240 343 L HN 0.424 nan 8.230 nan 0.000 0.427 344 Y N 1.206 121.728 120.300 0.370 0.000 2.361 344 Y HA 0.193 4.746 4.550 0.004 0.000 0.337 344 Y C 0.605 176.466 175.900 -0.064 0.000 0.965 344 Y CA -1.106 57.092 58.100 0.163 0.000 1.091 344 Y CB 1.262 39.791 38.460 0.116 0.000 1.182 344 Y HN 0.594 nan 8.280 nan 0.000 0.450 345 N N 0.302 118.784 118.700 -0.364 0.000 2.362 345 N HA 0.044 4.786 4.740 0.004 0.000 0.204 345 N C -0.547 174.733 175.510 -0.384 0.000 1.166 345 N CA 0.138 52.602 53.050 -0.978 0.000 0.831 345 N CB 0.272 38.050 38.487 -1.182 0.000 1.008 345 N HN 0.467 nan 8.380 nan 0.000 0.472 346 S N -2.325 113.321 115.700 -0.090 0.000 2.596 346 S HA 0.304 4.777 4.470 0.004 0.000 0.270 346 S C 0.315 174.795 174.600 -0.200 0.000 1.155 346 S CA -0.843 57.316 58.200 -0.068 0.000 0.827 346 S CB 1.690 64.835 63.200 -0.093 0.000 1.130 346 S HN 0.031 nan 8.310 nan 0.000 0.467 347 E N 0.562 120.511 120.200 -0.419 0.000 2.152 347 E HA 0.040 4.392 4.350 0.004 0.000 0.192 347 E C 1.190 177.456 176.600 -0.556 0.000 0.983 347 E CA 0.951 56.816 56.400 -0.891 0.000 0.818 347 E CB 0.031 29.329 29.700 -0.670 0.000 0.758 347 E HN 0.649 nan 8.360 nan 0.000 0.467 348 K N -1.008 119.201 120.400 -0.318 0.000 2.450 348 K HA 0.186 4.508 4.320 0.004 0.000 0.206 348 K C 0.510 177.025 176.600 -0.141 0.000 1.148 348 K CA 0.115 56.262 56.287 -0.232 0.000 1.014 348 K CB 1.439 33.835 32.500 -0.172 0.000 0.966 348 K HN 0.020 nan 8.250 nan 0.000 0.566 349 G N 1.209 109.954 108.800 -0.091 0.000 2.616 349 G HA2 0.124 4.087 3.960 0.004 0.000 0.268 349 G HA3 0.124 4.087 3.960 0.004 0.000 0.268 349 G C 0.051 175.004 174.900 0.089 0.000 1.213 349 G CA -0.433 44.660 45.100 -0.011 0.000 0.926 349 G HN 0.184 nan 8.290 nan 0.000 0.523 350 S N -0.858 114.899 115.700 0.094 0.000 2.589 350 S HA 0.259 4.732 4.470 0.004 0.000 0.265 350 S C 0.537 175.245 174.600 0.181 0.000 1.342 350 S CA -0.653 57.635 58.200 0.146 0.000 1.005 350 S CB 0.493 63.733 63.200 0.067 0.000 0.909 350 S HN 0.454 nan 8.310 nan 0.000 0.555 351 I N 2.027 122.646 120.570 0.081 0.000 2.906 351 I HA -0.083 4.089 4.170 0.004 0.000 0.301 351 I C 1.446 177.477 176.117 -0.144 0.000 1.221 351 I CA 0.252 61.380 61.300 -0.287 0.000 1.435 351 I CB -0.009 37.830 38.000 -0.268 0.000 1.345 351 I HN 0.799 nan 8.210 nan 0.000 0.558 352 T N 4.720 119.180 114.554 -0.156 0.000 2.901 352 T HA 0.020 4.372 4.350 0.004 0.000 0.252 352 T C 0.626 175.342 174.700 0.026 0.000 1.035 352 T CA 0.696 62.801 62.100 0.009 0.000 1.142 352 T CB 0.112 69.058 68.868 0.129 0.000 0.869 352 T HN 0.498 nan 8.240 nan 0.000 0.442 353 K N 1.278 121.672 120.400 -0.010 0.000 2.535 353 K HA 0.366 4.688 4.320 0.004 0.000 0.251 353 K C -1.792 174.762 176.600 -0.076 0.000 0.942 353 K CA -0.529 55.750 56.287 -0.014 0.000 0.798 353 K CB 2.099 34.617 32.500 0.031 0.000 1.267 353 K HN 0.028 nan 8.250 nan 0.000 0.434 354 Q N 5.219 124.983 119.800 -0.061 0.000 2.333 354 Q HA 0.483 4.825 4.340 0.004 0.000 0.265 354 Q C -1.625 174.354 176.000 -0.036 0.000 0.989 354 Q CA -0.691 55.076 55.803 -0.061 0.000 0.842 354 Q CB 1.090 29.797 28.738 -0.051 0.000 1.262 354 Q HN 0.540 nan 8.270 nan 0.000 0.451 355 L N 2.756 123.957 121.223 -0.037 0.000 2.386 355 L HA 0.462 4.804 4.340 0.004 0.000 0.271 355 L C -0.295 176.579 176.870 0.007 0.000 0.993 355 L CA -1.073 53.756 54.840 -0.018 0.000 0.819 355 L CB 2.080 44.118 42.059 -0.035 0.000 1.294 355 L HN 0.569 nan 8.230 nan 0.000 0.414 356 E N 3.199 123.417 120.200 0.031 0.000 2.376 356 E HA 0.245 4.598 4.350 0.004 0.000 0.266 356 E C -0.453 176.213 176.600 0.110 0.000 1.009 356 E CA 0.157 56.598 56.400 0.070 0.000 0.902 356 E CB 1.154 30.904 29.700 0.083 0.000 0.972 356 E HN 0.446 nan 8.360 nan 0.000 0.439 357 M N 1.926 121.631 119.600 0.174 0.000 2.267 357 M HA 0.173 4.655 4.480 0.004 0.000 0.303 357 M C 0.275 176.803 176.300 0.381 0.000 1.164 357 M CA -0.242 55.216 55.300 0.263 0.000 1.060 357 M CB 0.695 33.469 32.600 0.290 0.000 1.455 357 M HN 0.166 nan 8.290 nan 0.000 0.483 358 Q N 0.844 120.790 119.800 0.243 0.000 2.322 358 Q HA 0.355 4.697 4.340 0.004 0.000 0.265 358 Q C -1.154 174.701 176.000 -0.242 0.000 0.985 358 Q CA -0.714 55.106 55.803 0.029 0.000 0.849 358 Q CB 1.863 30.597 28.738 -0.006 0.000 1.274 358 Q HN 0.395 nan 8.270 nan 0.000 0.449 359 K N 1.515 121.493 120.400 -0.703 0.000 2.491 359 K HA 0.077 4.400 4.320 0.004 0.000 0.279 359 K C -0.158 176.156 176.600 -0.477 0.000 1.026 359 K CA 0.460 56.142 56.287 -1.008 0.000 1.070 359 K CB 0.555 32.504 32.500 -0.918 0.000 0.887 359 K HN 0.489 nan 8.250 nan 0.000 0.481 360 S N 1.806 117.263 115.700 -0.405 0.000 3.081 360 S HA 0.210 4.682 4.470 0.004 0.000 0.316 360 S C -1.316 173.198 174.600 -0.144 0.000 1.089 360 S CA -0.875 57.201 58.200 -0.206 0.000 0.897 360 S CB 0.680 63.794 63.200 -0.143 0.000 1.358 360 S HN 0.532 nan 8.310 nan 0.000 0.678 361 D N 2.180 122.550 120.400 -0.050 0.000 2.493 361 D HA 0.181 4.823 4.640 0.004 0.000 0.240 361 D C -0.081 176.286 176.300 0.112 0.000 1.142 361 D CA 1.083 55.119 54.000 0.060 0.000 0.872 361 D CB -0.548 40.384 40.800 0.221 0.000 1.173 361 D HN 0.617 nan 8.370 nan 0.000 0.467 362 N N 1.314 120.087 118.700 0.122 0.000 2.740 362 N HA -0.204 4.539 4.740 0.004 0.000 0.248 362 N C 0.880 176.604 175.510 0.357 0.000 1.062 362 N CA 0.435 53.622 53.050 0.227 0.000 0.704 362 N CB -1.031 37.643 38.487 0.311 0.000 0.968 362 N HN 0.769 nan 8.380 nan 0.000 0.547 363 G N -1.857 107.043 108.800 0.167 0.000 2.179 363 G HA2 -0.351 3.611 3.960 0.004 0.000 0.260 363 G HA3 -0.351 3.611 3.960 0.004 0.000 0.260 363 G C 0.305 175.204 174.900 -0.002 0.000 0.977 363 G CA 0.684 45.815 45.100 0.051 0.000 0.641 363 G HN 1.049 nan 8.290 nan 0.000 0.533 364 T N -2.278 112.300 114.554 0.040 0.000 2.899 364 T HA 0.595 4.947 4.350 0.004 0.000 0.284 364 T C -0.220 174.432 174.700 -0.080 0.000 1.004 364 T CA -0.381 61.728 62.100 0.015 0.000 1.043 364 T CB 1.644 70.367 68.868 -0.243 0.000 1.013 364 T HN 0.438 nan 8.240 nan 0.000 0.518 365 W N 1.352 122.579 121.300 -0.123 0.000 2.736 365 W HA 0.622 5.284 4.660 0.003 0.000 0.335 365 W C -0.037 176.434 176.519 -0.080 0.000 1.059 365 W CA -0.835 56.451 57.345 -0.098 0.000 1.226 365 W CB 1.792 31.186 29.460 -0.110 0.000 1.416 365 W HN 1.009 nan 8.180 nan 0.000 0.505 366 K N 1.428 121.921 120.400 0.155 0.000 2.482 366 K HA 0.947 5.270 4.320 0.004 0.000 0.257 366 K C -2.065 174.630 176.600 0.159 0.000 0.969 366 K CA -1.136 55.228 56.287 0.127 0.000 0.842 366 K CB 2.584 35.113 32.500 0.049 0.000 1.359 366 K HN 0.426 nan 8.250 nan 0.000 0.441 367 L N 0.832 122.173 121.223 0.195 0.000 2.611 367 L HA 0.262 4.604 4.340 0.004 0.000 0.260 367 L C -1.771 175.233 176.870 0.224 0.000 0.924 367 L CA -0.114 54.835 54.840 0.181 0.000 0.901 367 L CB 2.458 44.612 42.059 0.158 0.000 1.369 367 L HN 0.910 nan 8.230 nan 0.000 0.415 368 Q N 3.178 123.058 119.800 0.132 0.000 2.290 368 Q HA 0.739 5.082 4.340 0.004 0.000 0.259 368 Q C -1.745 174.311 176.000 0.093 0.000 0.941 368 Q CA -0.680 55.184 55.803 0.102 0.000 0.912 368 Q CB 1.691 30.450 28.738 0.035 0.000 1.244 368 Q HN 0.592 nan 8.270 nan 0.000 0.441 369 V N 3.399 123.380 119.914 0.113 0.000 2.378 369 V HA 0.288 4.411 4.120 0.004 0.000 0.288 369 V C -0.202 175.881 176.094 -0.018 0.000 1.016 369 V CA -0.719 61.614 62.300 0.054 0.000 0.840 369 V CB 1.528 33.410 31.823 0.098 0.000 0.994 369 V HN 0.816 nan 8.190 nan 0.000 0.431 370 S N 3.334 119.008 115.700 -0.042 0.000 2.572 370 S HA 0.679 5.151 4.470 0.004 0.000 0.279 370 S C 0.614 175.159 174.600 -0.092 0.000 1.341 370 S CA 0.678 58.841 58.200 -0.062 0.000 1.043 370 S CB 1.000 64.172 63.200 -0.046 0.000 0.887 370 S HN 1.622 nan 8.310 nan 0.000 0.516 371 G N 2.383 111.127 108.800 -0.094 0.000 2.479 371 G HA2 -0.121 3.842 3.960 0.004 0.000 0.686 371 G HA3 -0.121 3.842 3.960 0.004 0.000 0.686 371 G C -1.019 173.816 174.900 -0.108 0.000 1.295 371 G CA -0.956 44.084 45.100 -0.100 0.000 0.922 371 G HN 0.644 nan 8.290 nan 0.000 0.582 372 N N 0.333 118.995 118.700 -0.063 0.000 2.462 372 N HA 0.426 5.169 4.740 0.004 0.000 0.242 372 N C 1.052 176.563 175.510 0.003 0.000 1.010 372 N CA -0.573 52.495 53.050 0.031 0.000 0.939 372 N CB 0.577 39.123 38.487 0.097 0.000 1.127 372 N HN 0.489 nan 8.380 nan 0.000 0.509 373 L N 1.716 122.955 121.223 0.026 0.000 2.685 373 L HA 0.243 4.585 4.340 0.004 0.000 0.233 373 L C 0.880 177.844 176.870 0.156 0.000 1.173 373 L CA -0.153 54.574 54.840 -0.190 0.000 0.961 373 L CB -0.233 41.695 42.059 -0.219 0.000 1.217 373 L HN 0.504 nan 8.230 nan 0.000 0.478 374 E N 1.564 121.874 120.200 0.184 0.000 2.465 374 E HA -0.123 4.229 4.350 0.004 0.000 0.260 374 E C 0.223 176.889 176.600 0.111 0.000 0.980 374 E CA 0.157 56.511 56.400 -0.076 0.000 0.927 374 E CB 0.294 29.898 29.700 -0.160 0.000 0.934 374 E HN 0.274 nan 8.360 nan 0.000 0.459 375 N N 2.099 120.774 118.700 -0.041 0.000 2.878 375 N HA -0.203 4.539 4.740 0.004 0.000 0.247 375 N C -1.292 174.134 175.510 -0.139 0.000 1.021 375 N CA 1.066 54.050 53.050 -0.109 0.000 0.873 375 N CB -1.559 36.892 38.487 -0.061 0.000 1.128 375 N HN 0.436 nan 8.380 nan 0.000 0.571 376 W N 0.595 121.787 121.300 -0.180 0.000 2.215 376 W HA 0.482 5.144 4.660 0.004 0.000 0.342 376 W C 0.806 177.218 176.519 -0.180 0.000 1.237 376 W CA 0.152 57.464 57.345 -0.056 0.000 1.283 376 W CB 0.234 29.741 29.460 0.078 0.000 1.131 376 W HN -0.052 nan 8.180 nan 0.000 0.606 377 Y N 1.198 121.746 120.300 0.413 0.000 2.487 377 Y HA 0.481 5.033 4.550 0.004 0.000 0.337 377 Y C -0.195 176.050 175.900 0.574 0.000 1.076 377 Y CA -1.098 57.222 58.100 0.366 0.000 1.115 377 Y CB 1.367 39.902 38.460 0.125 0.000 1.235 377 Y HN 0.323 nan 8.280 nan 0.000 0.468 378 Y N -0.667 119.858 120.300 0.376 0.000 2.638 378 Y HA 0.854 5.406 4.550 0.004 0.000 0.335 378 Y C -2.392 173.584 175.900 0.126 0.000 1.155 378 Y CA -2.081 56.189 58.100 0.285 0.000 1.046 378 Y CB 1.055 39.578 38.460 0.105 0.000 1.303 378 Y HN 0.521 nan 8.280 nan 0.000 0.460 379 L N 1.902 123.179 121.223 0.090 0.000 2.415 379 L HA 0.511 4.854 4.340 0.004 0.000 0.256 379 L C -1.538 175.274 176.870 -0.097 0.000 1.010 379 L CA -1.167 53.601 54.840 -0.121 0.000 0.826 379 L CB 2.477 44.583 42.059 0.078 0.000 1.405 379 L HN 0.659 nan 8.230 nan 0.000 0.410 380 Y N 0.817 121.166 120.300 0.082 0.000 2.323 380 Y HA 0.377 4.929 4.550 0.005 0.000 0.331 380 Y C 0.111 176.022 175.900 0.018 0.000 1.092 380 Y CA -0.533 57.604 58.100 0.060 0.000 1.150 380 Y CB 1.192 39.694 38.460 0.069 0.000 1.200 380 Y HN 0.404 nan 8.280 nan 0.000 0.472 381 Q N 2.814 122.704 119.800 0.150 0.000 2.372 381 Q HA 0.616 4.959 4.340 0.004 0.000 0.259 381 Q C -1.856 174.122 176.000 -0.035 0.000 0.993 381 Q CA -0.556 55.278 55.803 0.051 0.000 0.854 381 Q CB 0.927 29.683 28.738 0.029 0.000 1.231 381 Q HN 0.602 nan 8.270 nan 0.000 0.462 382 V N 3.694 123.584 119.914 -0.040 0.000 2.409 382 V HA 0.369 4.491 4.120 0.004 0.000 0.291 382 V C -0.273 175.763 176.094 -0.096 0.000 1.020 382 V CA -0.646 61.580 62.300 -0.123 0.000 0.848 382 V CB 1.864 33.638 31.823 -0.082 0.000 0.990 382 V HN 0.769 nan 8.190 nan 0.000 0.430 383 T N 5.105 119.574 114.554 -0.141 0.000 2.743 383 T HA 0.697 5.049 4.350 0.004 0.000 0.292 383 T C 0.026 174.683 174.700 -0.071 0.000 0.972 383 T CA -0.161 61.889 62.100 -0.083 0.000 0.967 383 T CB 1.212 70.036 68.868 -0.073 0.000 0.926 383 T HN 0.443 nan 8.240 nan 0.000 0.459 384 V N 2.022 121.915 119.914 -0.034 0.000 3.870 384 V HA 0.408 4.530 4.120 0.004 0.000 0.310 384 V C 0.884 176.980 176.094 0.002 0.000 1.501 384 V CA -1.215 61.075 62.300 -0.018 0.000 0.934 384 V CB 0.488 32.299 31.823 -0.020 0.000 1.140 384 V HN 0.657 nan 8.190 nan 0.000 0.476 385 N N 1.274 119.981 118.700 0.012 0.000 2.693 385 N HA -0.141 4.601 4.740 0.004 0.000 0.269 385 N C 0.905 176.425 175.510 0.016 0.000 1.023 385 N CA 2.096 55.160 53.050 0.022 0.000 0.882 385 N CB -0.871 37.642 38.487 0.043 0.000 0.981 385 N HN 1.369 nan 8.380 nan 0.000 0.603 386 G N -2.164 106.641 108.800 0.008 0.000 4.165 386 G HA2 -0.321 3.642 3.960 0.004 0.000 0.211 386 G HA3 -0.321 3.642 3.960 0.004 0.000 0.211 386 G C 0.311 175.213 174.900 0.003 0.000 1.469 386 G CA 0.663 45.764 45.100 0.002 0.000 0.964 386 G HN 1.017 nan 8.290 nan 0.000 0.613 387 T N -0.733 113.826 114.554 0.008 0.000 2.897 387 T HA 0.644 4.996 4.350 0.004 0.000 0.278 387 T C -0.072 174.631 174.700 0.005 0.000 0.981 387 T CA 0.648 62.753 62.100 0.008 0.000 0.973 387 T CB 1.952 70.829 68.868 0.016 0.000 1.092 387 T HN 0.640 nan 8.240 nan 0.000 0.543 388 T N 2.078 116.634 114.554 0.004 0.000 2.771 388 T HA 0.525 4.877 4.350 0.004 0.000 0.281 388 T C -0.454 174.255 174.700 0.014 0.000 0.982 388 T CA -0.614 61.486 62.100 -0.000 0.000 0.978 388 T CB 1.138 70.002 68.868 -0.007 0.000 0.930 388 T HN 0.641 nan 8.240 nan 0.000 0.447 389 Q N 0.922 120.734 119.800 0.020 0.000 2.544 389 Q HA 0.647 4.989 4.340 0.004 0.000 0.291 389 Q C -0.534 175.493 176.000 0.045 0.000 1.068 389 Q CA -1.199 54.626 55.803 0.036 0.000 0.785 389 Q CB 2.104 30.871 28.738 0.049 0.000 1.481 389 Q HN 0.735 nan 8.270 nan 0.000 0.430 390 T N -2.086 112.500 114.554 0.053 0.000 2.925 390 T HA 0.880 5.232 4.350 0.004 0.000 0.285 390 T C -0.643 174.098 174.700 0.068 0.000 1.021 390 T CA -0.729 61.410 62.100 0.066 0.000 1.042 390 T CB 1.650 70.557 68.868 0.064 0.000 1.037 390 T HN 0.667 nan 8.240 nan 0.000 0.481 391 A N 1.718 124.588 122.820 0.083 0.000 2.515 391 A HA 0.683 5.005 4.320 0.004 0.000 0.298 391 A C -0.498 177.095 177.584 0.014 0.000 1.059 391 A CA -0.891 51.192 52.037 0.076 0.000 0.698 391 A CB 1.601 20.686 19.000 0.142 0.000 1.289 391 A HN 0.866 nan 8.150 nan 0.000 0.404 392 V N 2.201 122.091 119.914 -0.040 0.000 2.614 392 V HA 0.099 4.221 4.120 0.004 0.000 0.291 392 V C 0.522 176.595 176.094 -0.036 0.000 1.049 392 V CA -0.248 61.971 62.300 -0.135 0.000 1.038 392 V CB 1.079 32.825 31.823 -0.129 0.000 0.980 392 V HN 0.908 nan 8.190 nan 0.000 0.481 393 D N 6.540 126.872 120.400 -0.114 0.000 2.520 393 D HA 0.020 4.662 4.640 0.004 0.000 0.243 393 D C -1.482 174.974 176.300 0.261 0.000 1.160 393 D CA -1.273 52.865 54.000 0.230 0.000 0.877 393 D CB 1.610 42.563 40.800 0.254 0.000 1.150 393 D HN 0.277 nan 8.370 nan 0.000 0.494 394 P HA -0.123 nan 4.420 nan 0.000 0.221 394 P C 0.374 177.934 177.300 0.434 0.000 1.145 394 P CA 1.033 64.312 63.100 0.298 0.000 0.795 394 P CB 0.022 31.910 31.700 0.313 0.000 0.775 395 Y N -1.180 119.358 120.300 0.397 0.000 2.461 395 Y HA 0.362 4.915 4.550 0.004 0.000 0.277 395 Y C 1.308 177.290 175.900 0.136 0.000 1.182 395 Y CA -0.681 57.579 58.100 0.267 0.000 1.276 395 Y CB -0.798 37.818 38.460 0.260 0.000 1.087 395 Y HN -0.170 nan 8.280 nan 0.000 0.519 396 A N 0.594 123.571 122.820 0.262 0.000 2.531 396 A HA 0.133 4.456 4.320 0.004 0.000 0.236 396 A C 1.132 178.754 177.584 0.064 0.000 1.062 396 A CA -0.183 51.957 52.037 0.172 0.000 0.760 396 A CB 0.474 19.522 19.000 0.080 0.000 0.995 396 A HN 0.305 nan 8.150 nan 0.000 0.501 397 R N 0.600 121.122 120.500 0.038 0.000 2.308 397 R HA 0.422 4.764 4.340 0.004 0.000 0.202 397 R C 0.318 176.649 176.300 0.051 0.000 0.898 397 R CA 0.986 57.084 56.100 -0.004 0.000 1.046 397 R CB -0.665 29.624 30.300 -0.019 0.000 1.026 397 R HN 0.883 nan 8.270 nan 0.000 0.512 398 A N 0.842 123.692 122.820 0.050 0.000 2.609 398 A HA 0.770 5.092 4.320 0.004 0.000 0.291 398 A C -0.995 176.617 177.584 0.046 0.000 1.096 398 A CA -0.815 51.246 52.037 0.040 0.000 0.684 398 A CB 1.385 20.392 19.000 0.012 0.000 1.282 398 A HN 0.150 nan 8.150 nan 0.000 0.412 399 I N -1.774 118.829 120.570 0.055 0.000 3.095 399 I HA 0.742 4.914 4.170 0.004 0.000 0.310 399 I C 0.133 176.355 176.117 0.174 0.000 1.196 399 I CA -0.754 60.591 61.300 0.076 0.000 0.985 399 I CB 2.046 40.042 38.000 -0.007 0.000 1.250 399 I HN 0.737 nan 8.210 nan 0.000 0.446 400 S N 1.723 117.529 115.700 0.176 0.000 2.596 400 S HA 0.395 4.867 4.470 0.004 0.000 0.260 400 S C 0.246 174.810 174.600 -0.060 0.000 1.336 400 S CA -0.757 57.452 58.200 0.015 0.000 0.993 400 S CB 1.110 64.140 63.200 -0.284 0.000 0.923 400 S HN 0.530 nan 8.310 nan 0.000 0.567 401 V N 2.888 122.742 119.914 -0.100 0.000 2.644 401 V HA 0.022 4.145 4.120 0.004 0.000 0.305 401 V C 1.018 177.031 176.094 -0.135 0.000 1.053 401 V CA 1.020 63.255 62.300 -0.109 0.000 1.186 401 V CB -1.257 30.501 31.823 -0.109 0.000 0.895 401 V HN 1.085 nan 8.190 nan 0.000 0.490 402 N N 2.343 120.956 118.700 -0.145 0.000 2.828 402 N HA -0.255 4.487 4.740 0.004 0.000 0.248 402 N C 0.633 176.041 175.510 -0.170 0.000 1.044 402 N CA 0.527 53.478 53.050 -0.166 0.000 0.851 402 N CB -0.749 37.648 38.487 -0.150 0.000 1.136 402 N HN 1.503 nan 8.380 nan 0.000 0.572 403 A N -1.436 121.294 122.820 -0.150 0.000 2.791 403 A HA -0.276 4.046 4.320 0.004 0.000 0.292 403 A C 1.650 179.145 177.584 -0.148 0.000 1.487 403 A CA 1.952 53.905 52.037 -0.141 0.000 0.760 403 A CB -2.463 16.441 19.000 -0.160 0.000 1.031 403 A HN 0.899 nan 8.150 nan 0.000 0.503 404 T N -2.942 111.515 114.554 -0.162 0.000 2.915 404 T HA 0.194 4.546 4.350 0.004 0.000 0.269 404 T C 0.811 175.392 174.700 -0.198 0.000 1.071 404 T CA 1.426 63.419 62.100 -0.178 0.000 1.132 404 T CB -0.040 68.701 68.868 -0.212 0.000 0.878 404 T HN 0.877 nan 8.240 nan 0.000 0.479 405 R N -0.509 119.883 120.500 -0.181 0.000 2.707 405 R HA 0.604 4.946 4.340 0.004 0.000 0.272 405 R C -0.189 176.069 176.300 -0.070 0.000 1.011 405 R CA -0.838 55.166 56.100 -0.160 0.000 0.893 405 R CB 1.598 31.786 30.300 -0.187 0.000 1.233 405 R HN 0.220 nan 8.270 nan 0.000 0.464 406 G N 0.907 109.593 108.800 -0.190 0.000 2.507 406 G HA2 0.468 4.430 3.960 0.004 0.000 0.271 406 G HA3 0.468 4.430 3.960 0.004 0.000 0.271 406 G C -0.663 174.302 174.900 0.108 0.000 1.189 406 G CA -0.435 44.557 45.100 -0.180 0.000 0.859 406 G HN 0.436 nan 8.290 nan 0.000 0.542 407 M N 1.341 121.020 119.600 0.132 0.000 2.326 407 M HA 0.502 4.984 4.480 0.004 0.000 0.306 407 M C -1.170 175.178 176.300 0.081 0.000 1.054 407 M CA -0.777 54.512 55.300 -0.018 0.000 0.922 407 M CB 1.683 34.160 32.600 -0.205 0.000 1.632 407 M HN 0.334 nan 8.290 nan 0.000 0.436 408 I N 5.691 126.302 120.570 0.069 0.000 2.371 408 I HA 0.394 4.566 4.170 0.004 0.000 0.290 408 I C -0.334 175.693 176.117 -0.151 0.000 1.028 408 I CA -0.398 60.910 61.300 0.014 0.000 1.345 408 I CB 0.983 39.008 38.000 0.042 0.000 1.407 408 I HN 0.500 nan 8.210 nan 0.000 0.501 409 V N 1.764 121.556 119.914 -0.204 0.000 3.078 409 V HA 0.538 4.661 4.120 0.004 0.000 0.311 409 V C -0.841 175.004 176.094 -0.415 0.000 1.138 409 V CA -0.908 61.211 62.300 -0.301 0.000 1.007 409 V CB 2.066 33.790 31.823 -0.166 0.000 1.045 409 V HN 0.604 nan 8.190 nan 0.000 0.432 410 D N 2.019 122.136 120.400 -0.470 0.000 2.393 410 D HA 0.337 4.979 4.640 0.004 0.000 0.232 410 D C 1.014 177.241 176.300 -0.122 0.000 1.192 410 D CA 0.020 53.851 54.000 -0.281 0.000 0.882 410 D CB 0.947 41.619 40.800 -0.214 0.000 1.038 410 D HN 0.637 nan 8.370 nan 0.000 0.499 411 L N 3.223 124.409 121.223 -0.062 0.000 2.083 411 L HA -0.185 4.157 4.340 0.004 0.000 0.209 411 L C 2.271 179.084 176.870 -0.095 0.000 1.083 411 L CA 0.913 55.705 54.840 -0.079 0.000 0.752 411 L CB -0.299 41.738 42.059 -0.036 0.000 0.899 411 L HN 0.300 nan 8.230 nan 0.000 0.433 412 K N 1.021 121.401 120.400 -0.033 0.000 2.063 412 K HA -0.171 4.151 4.320 0.004 0.000 0.208 412 K C 1.956 178.523 176.600 -0.056 0.000 1.048 412 K CA 1.800 58.074 56.287 -0.022 0.000 0.928 412 K CB -0.444 32.072 32.500 0.028 0.000 0.713 412 K HN 0.223 nan 8.250 nan 0.000 0.442 413 A N -0.147 122.639 122.820 -0.056 0.000 2.067 413 A HA -0.109 4.214 4.320 0.004 0.000 0.219 413 A C 2.048 179.569 177.584 -0.106 0.000 1.158 413 A CA 2.011 54.010 52.037 -0.064 0.000 0.661 413 A CB -1.119 17.848 19.000 -0.055 0.000 0.801 413 A HN 0.632 nan 8.150 nan 0.000 0.452 414 T N -2.441 112.020 114.554 -0.154 0.000 3.085 414 T HA 0.016 4.368 4.350 0.004 0.000 0.263 414 T C 0.082 174.593 174.700 -0.315 0.000 1.127 414 T CA 0.279 62.253 62.100 -0.211 0.000 1.103 414 T CB -0.411 68.318 68.868 -0.233 0.000 0.921 414 T HN 0.248 nan 8.240 nan 0.000 0.510 415 D N 4.364 124.565 120.400 -0.332 0.000 2.425 415 D HA 0.248 4.890 4.640 0.004 0.000 0.247 415 D C -1.941 174.180 176.300 -0.299 0.000 1.147 415 D CA -1.485 52.216 54.000 -0.497 0.000 0.879 415 D CB 1.029 41.651 40.800 -0.297 0.000 1.179 415 D HN 0.317 nan 8.370 nan 0.000 0.456 416 P HA 0.170 nan 4.420 nan 0.000 0.274 416 P C -0.811 176.504 177.300 0.026 0.000 1.246 416 P CA -0.598 62.432 63.100 -0.116 0.000 0.795 416 P CB 0.597 32.238 31.700 -0.099 0.000 1.006 417 A N 0.510 123.356 122.820 0.044 0.000 2.540 417 A HA 0.401 4.723 4.320 0.004 0.000 0.239 417 A C 1.472 179.133 177.584 0.129 0.000 1.061 417 A CA 0.822 52.906 52.037 0.078 0.000 0.758 417 A CB -1.519 17.514 19.000 0.054 0.000 0.991 417 A HN 0.923 nan 8.150 nan 0.000 0.502 418 G N 0.455 109.339 108.800 0.140 0.000 2.199 418 G HA2 -0.302 3.660 3.960 0.004 0.000 0.254 418 G HA3 -0.302 3.660 3.960 0.004 0.000 0.254 418 G C 1.054 176.084 174.900 0.216 0.000 0.982 418 G CA 0.711 45.900 45.100 0.149 0.000 0.632 418 G HN 1.117 nan 8.290 nan 0.000 0.529 419 W N 0.895 122.215 121.300 0.033 0.000 2.342 419 W HA -0.137 4.526 4.660 0.004 0.000 0.297 419 W C 1.991 178.568 176.519 0.098 0.000 1.213 419 W CA 1.750 59.122 57.345 0.046 0.000 1.251 419 W CB 0.030 29.483 29.460 -0.013 0.000 1.136 419 W HN 0.361 nan 8.180 nan 0.000 0.526 420 Q N -0.453 119.435 119.800 0.147 0.000 2.364 420 Q HA -0.072 4.270 4.340 0.004 0.000 0.209 420 Q C 2.144 178.132 176.000 -0.021 0.000 0.977 420 Q CA 1.501 57.322 55.803 0.030 0.000 0.885 420 Q CB -0.932 27.845 28.738 0.064 0.000 0.941 420 Q HN 0.413 nan 8.270 nan 0.000 0.464 421 G N 0.240 109.042 108.800 0.005 0.000 3.042 421 G HA2 -0.058 3.904 3.960 0.004 0.000 0.212 421 G HA3 -0.058 3.904 3.960 0.004 0.000 0.212 421 G C -0.098 174.794 174.900 -0.014 0.000 1.166 421 G CA -0.280 44.818 45.100 -0.004 0.000 0.767 421 G HN 0.229 nan 8.290 nan 0.000 0.546 422 D N 0.314 120.673 120.400 -0.069 0.000 2.425 422 D HA 0.051 4.694 4.640 0.004 0.000 0.247 422 D C -0.146 176.120 176.300 -0.058 0.000 1.147 422 D CA -0.025 53.940 54.000 -0.059 0.000 0.879 422 D CB 0.160 40.814 40.800 -0.244 0.000 1.179 422 D HN 0.237 nan 8.370 nan 0.000 0.456 423 H N 3.575 122.562 119.070 -0.137 0.000 2.505 423 H HA 0.147 4.705 4.556 0.004 0.000 0.338 423 H C -0.123 174.957 175.328 -0.413 0.000 1.057 423 H CA -1.012 54.904 56.048 -0.221 0.000 1.202 423 H CB 1.156 30.828 29.762 -0.149 0.000 1.466 423 H HN 0.581 nan 8.280 nan 0.000 0.499 424 E N 4.368 124.042 120.200 -0.876 0.000 2.437 424 E HA -0.071 4.281 4.350 0.004 0.000 0.263 424 E C -0.707 175.416 176.600 -0.795 0.000 1.030 424 E CA -0.171 55.730 56.400 -0.832 0.000 0.934 424 E CB 0.814 30.201 29.700 -0.521 0.000 0.943 424 E HN 0.547 nan 8.360 nan 0.000 0.444 425 Q N 1.884 121.345 119.800 -0.566 0.000 2.721 425 Q HA 0.220 4.563 4.340 0.004 0.000 0.257 425 Q C -0.835 175.082 176.000 -0.138 0.000 1.070 425 Q CA -0.278 55.359 55.803 -0.276 0.000 0.910 425 Q CB 1.003 29.657 28.738 -0.140 0.000 1.163 425 Q HN 0.628 nan 8.270 nan 0.000 0.501 426 T N -0.876 113.596 114.554 -0.138 0.000 2.864 426 T HA 0.589 4.941 4.350 0.004 0.000 0.299 426 T C -2.036 172.642 174.700 -0.038 0.000 1.011 426 T CA -1.478 60.585 62.100 -0.061 0.000 0.975 426 T CB 1.958 70.791 68.868 -0.059 0.000 0.962 426 T HN 0.101 nan 8.240 nan 0.000 0.448 427 P HA 0.424 nan 4.420 nan 0.000 0.279 427 P C 1.081 178.380 177.300 -0.001 0.000 1.282 427 P CA -0.644 62.453 63.100 -0.004 0.000 0.788 427 P CB 0.611 32.313 31.700 0.004 0.000 1.139 428 A N -0.032 122.786 122.820 -0.004 0.000 1.972 428 A HA -0.093 4.229 4.320 0.004 0.000 0.219 428 A C 1.161 178.737 177.584 -0.014 0.000 1.169 428 A CA 1.318 53.349 52.037 -0.010 0.000 0.635 428 A CB -0.628 18.365 19.000 -0.012 0.000 0.810 428 A HN 0.725 nan 8.150 nan 0.000 0.446 429 N N -2.552 116.145 118.700 -0.005 0.000 2.331 429 N HA 0.261 5.003 4.740 0.004 0.000 0.280 429 N C -2.838 172.680 175.510 0.013 0.000 1.155 429 N CA -1.399 51.649 53.050 -0.004 0.000 0.822 429 N CB 1.748 40.229 38.487 -0.010 0.000 1.619 429 N HN -0.286 nan 8.380 nan 0.000 0.476 430 P HA -0.111 nan 4.420 nan 0.000 0.219 430 P C 1.432 178.741 177.300 0.015 0.000 1.146 430 P CA 1.084 64.202 63.100 0.030 0.000 0.808 430 P CB 0.177 31.900 31.700 0.038 0.000 0.779 431 V N -3.409 116.514 119.914 0.016 0.000 3.186 431 V HA -0.124 3.998 4.120 0.004 0.000 0.270 431 V C 1.145 177.263 176.094 0.040 0.000 1.149 431 V CA 1.805 64.122 62.300 0.028 0.000 1.160 431 V CB -1.288 30.554 31.823 0.032 0.000 0.758 431 V HN 0.017 nan 8.190 nan 0.000 0.516 432 D N 0.355 120.773 120.400 0.029 0.000 2.340 432 D HA 0.124 4.766 4.640 0.004 0.000 0.220 432 D C 0.708 177.023 176.300 0.025 0.000 1.039 432 D CA 0.339 54.355 54.000 0.027 0.000 0.866 432 D CB 0.248 41.057 40.800 0.016 0.000 0.913 432 D HN 0.686 nan 8.370 nan 0.000 0.523 433 E N 0.368 120.586 120.200 0.030 0.000 2.242 433 E HA 0.386 4.738 4.350 0.004 0.000 0.275 433 E C -0.557 176.074 176.600 0.052 0.000 1.002 433 E CA -0.557 55.864 56.400 0.035 0.000 0.841 433 E CB 2.766 32.488 29.700 0.037 0.000 1.109 433 E HN -0.225 nan 8.360 nan 0.000 0.394 434 V N 4.547 124.494 119.914 0.055 0.000 2.349 434 V HA 0.310 4.432 4.120 0.004 0.000 0.284 434 V C -0.123 176.043 176.094 0.118 0.000 1.014 434 V CA -0.520 61.838 62.300 0.097 0.000 0.826 434 V CB 0.659 32.506 31.823 0.040 0.000 1.009 434 V HN 0.552 nan 8.190 nan 0.000 0.431 435 I N 4.839 125.495 120.570 0.142 0.000 2.365 435 I HA 0.371 4.543 4.170 0.004 0.000 0.291 435 I C -0.823 175.325 176.117 0.051 0.000 1.004 435 I CA -0.549 60.828 61.300 0.129 0.000 1.311 435 I CB 1.090 39.202 38.000 0.187 0.000 1.401 435 I HN 0.607 nan 8.210 nan 0.000 0.491 436 Y N 6.336 126.602 120.300 -0.056 0.000 2.376 436 Y HA 0.285 4.837 4.550 0.004 0.000 0.326 436 Y C 0.018 175.891 175.900 -0.045 0.000 0.970 436 Y CA -0.691 57.370 58.100 -0.065 0.000 1.248 436 Y CB 1.007 39.502 38.460 0.058 0.000 1.117 436 Y HN 0.546 nan 8.280 nan 0.000 0.476 437 E N 4.605 124.616 120.200 -0.316 0.000 2.290 437 E HA 0.605 4.957 4.350 0.004 0.000 0.277 437 E C -1.289 175.298 176.600 -0.022 0.000 1.035 437 E CA -0.243 56.113 56.400 -0.074 0.000 0.873 437 E CB 0.571 30.299 29.700 0.046 0.000 1.029 437 E HN 0.739 nan 8.360 nan 0.000 0.419 438 A N 4.951 127.826 122.820 0.092 0.000 2.488 438 A HA 0.265 4.587 4.320 0.004 0.000 0.298 438 A C -1.508 176.138 177.584 0.103 0.000 1.044 438 A CA -0.728 51.399 52.037 0.150 0.000 0.693 438 A CB 1.295 20.403 19.000 0.179 0.000 1.272 438 A HN 0.795 nan 8.150 nan 0.000 0.402 439 H N 2.513 121.609 119.070 0.044 0.000 2.527 439 H HA 0.321 4.879 4.556 0.004 0.000 0.321 439 H C 0.853 176.146 175.328 -0.058 0.000 1.087 439 H CA 0.170 56.206 56.048 -0.019 0.000 1.337 439 H CB 1.721 31.546 29.762 0.105 0.000 1.440 439 H HN 0.325 nan 8.280 nan 0.000 0.490 440 V N 5.780 125.413 119.914 -0.468 0.000 2.332 440 V HA -0.262 3.860 4.120 0.004 0.000 0.248 440 V C 2.765 178.787 176.094 -0.120 0.000 1.055 440 V CA 2.324 64.412 62.300 -0.353 0.000 1.038 440 V CB -0.539 30.736 31.823 -0.912 0.000 0.651 440 V HN 0.709 nan 8.190 nan 0.000 0.450 441 R N 0.025 120.499 120.500 -0.043 0.000 2.062 441 R HA -0.151 4.191 4.340 0.004 0.000 0.229 441 R C 2.098 178.597 176.300 0.332 0.000 1.128 441 R CA 1.870 58.125 56.100 0.259 0.000 0.960 441 R CB -0.349 30.226 30.300 0.457 0.000 0.855 441 R HN 0.485 nan 8.270 nan 0.000 0.432 442 D N 0.234 120.898 120.400 0.440 0.000 2.158 442 D HA -0.211 4.431 4.640 0.004 0.000 0.197 442 D C 1.540 177.900 176.300 0.100 0.000 0.995 442 D CA 1.046 55.227 54.000 0.302 0.000 0.846 442 D CB -0.386 40.631 40.800 0.361 0.000 0.941 442 D HN 0.187 nan 8.370 nan 0.000 0.456 443 F N 1.209 121.004 119.950 -0.258 0.000 2.154 443 F HA -0.219 4.310 4.527 0.004 0.000 0.301 443 F C 2.048 177.834 175.800 -0.022 0.000 1.087 443 F CA 1.840 59.511 58.000 -0.548 0.000 1.274 443 F CB 0.072 38.847 39.000 -0.376 0.000 1.009 443 F HN 0.031 nan 8.300 nan 0.000 0.485 444 S N -2.208 113.530 115.700 0.063 0.000 2.817 444 S HA 0.124 4.597 4.470 0.004 0.000 0.262 444 S C 1.358 176.013 174.600 0.092 0.000 1.051 444 S CA 0.048 58.261 58.200 0.021 0.000 1.185 444 S CB -0.750 62.435 63.200 -0.025 0.000 1.152 444 S HN 0.180 nan 8.310 nan 0.000 0.653 445 I N 3.158 123.815 120.570 0.144 0.000 2.493 445 I HA 0.066 4.238 4.170 0.004 0.000 0.254 445 I C 0.541 176.730 176.117 0.120 0.000 1.160 445 I CA 0.621 62.002 61.300 0.135 0.000 1.445 445 I CB -0.340 37.762 38.000 0.170 0.000 1.086 445 I HN 0.283 nan 8.210 nan 0.000 0.433 446 D N 0.293 120.787 120.400 0.156 0.000 2.455 446 D HA 0.022 4.664 4.640 0.004 0.000 0.241 446 D C 1.341 177.700 176.300 0.099 0.000 1.138 446 D CA 0.752 54.837 54.000 0.142 0.000 0.877 446 D CB 1.511 42.435 40.800 0.207 0.000 1.187 446 D HN 0.309 nan 8.370 nan 0.000 0.451 447 A N 4.331 127.191 122.820 0.068 0.000 2.084 447 A HA -0.266 4.056 4.320 0.004 0.000 0.221 447 A C 1.476 179.076 177.584 0.028 0.000 1.161 447 A CA 1.730 53.790 52.037 0.038 0.000 0.653 447 A CB -0.479 18.539 19.000 0.031 0.000 0.802 447 A HN 0.730 nan 8.150 nan 0.000 0.457 448 N N -0.230 118.505 118.700 0.059 0.000 2.322 448 N HA -0.037 4.705 4.740 0.004 0.000 0.194 448 N C 1.064 176.577 175.510 0.005 0.000 1.126 448 N CA 1.158 54.236 53.050 0.047 0.000 0.845 448 N CB -0.640 37.896 38.487 0.081 0.000 0.976 448 N HN 0.391 nan 8.380 nan 0.000 0.475 449 S N -1.122 114.557 115.700 -0.035 0.000 2.489 449 S HA 0.169 4.642 4.470 0.004 0.000 0.228 449 S C 1.730 176.025 174.600 -0.508 0.000 0.995 449 S CA 0.542 58.544 58.200 -0.329 0.000 0.934 449 S CB -0.870 62.225 63.200 -0.174 0.000 0.771 449 S HN 0.574 nan 8.310 nan 0.000 0.522 450 G N 0.773 109.406 108.800 -0.279 0.000 2.184 450 G HA2 -0.293 3.669 3.960 0.004 0.000 0.264 450 G HA3 -0.293 3.669 3.960 0.004 0.000 0.264 450 G C 0.019 174.781 174.900 -0.231 0.000 0.975 450 G CA 0.678 45.625 45.100 -0.255 0.000 0.642 450 G HN 0.559 nan 8.290 nan 0.000 0.536 451 M N -0.151 119.305 119.600 -0.241 0.000 2.264 451 M HA 0.443 4.926 4.480 0.004 0.000 0.352 451 M C 1.440 177.686 176.300 -0.090 0.000 1.173 451 M CA -0.433 54.764 55.300 -0.173 0.000 1.075 451 M CB 1.415 33.892 32.600 -0.206 0.000 1.621 451 M HN 0.061 nan 8.290 nan 0.000 0.457 452 K N 1.005 121.373 120.400 -0.053 0.000 2.076 452 K HA 0.038 4.361 4.320 0.004 0.000 0.204 452 K C 0.226 176.826 176.600 0.001 0.000 1.051 452 K CA 0.837 57.111 56.287 -0.021 0.000 0.949 452 K CB 0.133 32.627 32.500 -0.010 0.000 0.726 452 K HN 0.594 nan 8.250 nan 0.000 0.443 453 N N 2.830 121.539 118.700 0.014 0.000 3.245 453 N HA 0.023 4.765 4.740 0.004 0.000 0.296 453 N C -0.964 174.576 175.510 0.049 0.000 1.254 453 N CA 0.282 53.357 53.050 0.042 0.000 1.190 453 N CB 0.369 38.897 38.487 0.067 0.000 1.460 453 N HN 0.126 nan 8.380 nan 0.000 0.538 454 K N -0.168 120.256 120.400 0.039 0.000 2.416 454 K HA 0.088 4.411 4.320 0.004 0.000 0.283 454 K C 1.080 177.729 176.600 0.081 0.000 1.037 454 K CA 0.194 56.511 56.287 0.051 0.000 0.995 454 K CB 0.540 33.066 32.500 0.044 0.000 0.938 454 K HN 0.510 nan 8.250 nan 0.000 0.475 455 G N 2.381 111.243 108.800 0.104 0.000 2.143 455 G HA2 -0.225 3.737 3.960 0.004 0.000 0.249 455 G HA3 -0.225 3.737 3.960 0.004 0.000 0.249 455 G C -0.203 174.752 174.900 0.091 0.000 0.981 455 G CA 0.078 45.255 45.100 0.128 0.000 0.665 455 G HN 0.451 nan 8.290 nan 0.000 0.528 456 K N -1.120 119.329 120.400 0.081 0.000 2.340 456 K HA 0.567 4.890 4.320 0.004 0.000 0.244 456 K C 0.902 177.566 176.600 0.107 0.000 0.973 456 K CA -1.089 55.219 56.287 0.035 0.000 0.828 456 K CB 0.867 33.410 32.500 0.071 0.000 1.226 456 K HN -0.044 nan 8.250 nan 0.000 0.437 457 Y N 0.667 121.061 120.300 0.157 0.000 2.139 457 Y HA -0.209 4.344 4.550 0.004 0.000 0.282 457 Y C 2.073 178.093 175.900 0.200 0.000 1.179 457 Y CA 1.372 59.543 58.100 0.119 0.000 1.161 457 Y CB -0.723 37.765 38.460 0.047 0.000 0.970 457 Y HN 0.382 nan 8.280 nan 0.000 0.511 458 L N -0.798 120.609 121.223 0.307 0.000 2.362 458 L HA -0.176 4.166 4.340 0.004 0.000 0.219 458 L C 2.561 179.553 176.870 0.203 0.000 1.134 458 L CA 0.700 55.672 54.840 0.221 0.000 0.807 458 L CB -0.813 41.336 42.059 0.149 0.000 0.927 458 L HN 0.259 nan 8.230 nan 0.000 0.447 459 A N 0.141 123.091 122.820 0.217 0.000 1.978 459 A HA -0.219 4.103 4.320 0.004 0.000 0.220 459 A C 1.834 179.487 177.584 0.116 0.000 1.170 459 A CA 1.485 53.599 52.037 0.128 0.000 0.636 459 A CB -0.727 18.333 19.000 0.101 0.000 0.810 459 A HN 0.365 nan 8.150 nan 0.000 0.448 460 F N 0.495 120.516 119.950 0.118 0.000 2.771 460 F HA -0.033 4.496 4.527 0.004 0.000 0.299 460 F C 2.438 178.241 175.800 0.006 0.000 1.177 460 F CA 1.445 59.488 58.000 0.071 0.000 1.450 460 F CB -0.216 38.780 39.000 -0.006 0.000 1.114 460 F HN 0.361 nan 8.300 nan 0.000 0.587 461 T N -3.720 110.933 114.554 0.164 0.000 3.069 461 T HA 0.123 4.475 4.350 0.004 0.000 0.252 461 T C 0.473 175.187 174.700 0.023 0.000 1.053 461 T CA -0.172 61.987 62.100 0.098 0.000 0.964 461 T CB -0.320 68.626 68.868 0.130 0.000 1.005 461 T HN 0.139 nan 8.240 nan 0.000 0.532 462 E N 2.227 122.406 120.200 -0.036 0.000 2.152 462 E HA 0.200 4.552 4.350 0.004 0.000 0.285 462 E C -0.360 176.145 176.600 -0.158 0.000 1.043 462 E CA -0.477 55.895 56.400 -0.046 0.000 0.839 462 E CB 0.523 30.193 29.700 -0.050 0.000 1.069 462 E HN 0.542 nan 8.360 nan 0.000 0.399 463 H N 1.010 120.076 119.070 -0.007 0.000 2.482 463 H HA 0.204 4.762 4.556 0.004 0.000 0.344 463 H C 1.214 176.514 175.328 -0.048 0.000 1.151 463 H CA 0.365 56.402 56.048 -0.019 0.000 1.300 463 H CB 1.727 31.490 29.762 0.002 0.000 1.494 463 H HN 0.903 nan 8.280 nan 0.000 0.542 464 G N 2.007 110.837 108.800 0.049 0.000 2.143 464 G HA2 -0.303 3.659 3.960 0.004 0.000 0.248 464 G HA3 -0.303 3.659 3.960 0.004 0.000 0.248 464 G C 0.467 175.306 174.900 -0.102 0.000 0.991 464 G CA 0.516 45.605 45.100 -0.019 0.000 0.689 464 G HN 0.859 nan 8.290 nan 0.000 0.522 465 T N -1.310 113.150 114.554 -0.157 0.000 2.907 465 T HA 0.663 5.016 4.350 0.004 0.000 0.298 465 T C -0.117 174.400 174.700 -0.304 0.000 1.017 465 T CA -0.268 61.694 62.100 -0.230 0.000 1.118 465 T CB 2.331 71.025 68.868 -0.290 0.000 0.948 465 T HN 0.226 nan 8.240 nan 0.000 0.531 466 K N 1.644 121.863 120.400 -0.300 0.000 2.426 466 K HA 0.682 5.005 4.320 0.004 0.000 0.251 466 K C 0.275 176.705 176.600 -0.283 0.000 0.941 466 K CA -0.738 55.352 56.287 -0.328 0.000 0.808 466 K CB 2.526 34.818 32.500 -0.346 0.000 1.265 466 K HN 0.888 nan 8.250 nan 0.000 0.432 467 G N 1.050 109.700 108.800 -0.250 0.000 3.107 467 G HA2 0.554 4.517 3.960 0.004 0.000 0.232 467 G HA3 0.554 4.517 3.960 0.004 0.000 0.232 467 G C -2.699 172.161 174.900 -0.067 0.000 1.339 467 G CA -1.520 43.487 45.100 -0.156 0.000 1.033 467 G HN 0.204 nan 8.290 nan 0.000 0.567 468 P HA 0.157 nan 4.420 nan 0.000 0.264 468 P C -0.282 177.015 177.300 -0.005 0.000 1.183 468 P CA 0.778 63.876 63.100 -0.004 0.000 0.763 468 P CB 0.569 32.273 31.700 0.007 0.000 0.807 469 D N 1.857 122.263 120.400 0.010 0.000 3.041 469 D HA -0.265 4.378 4.640 0.004 0.000 0.220 469 D C 0.207 176.555 176.300 0.080 0.000 1.157 469 D CA 1.313 55.326 54.000 0.021 0.000 0.876 469 D CB -2.139 38.654 40.800 -0.011 0.000 1.107 469 D HN 0.718 nan 8.370 nan 0.000 0.422 470 H N -3.423 115.613 119.070 -0.057 0.000 3.080 470 H HA -0.218 4.341 4.556 0.004 0.000 0.254 470 H C 0.105 175.386 175.328 -0.079 0.000 1.179 470 H CA 1.084 57.093 56.048 -0.064 0.000 1.144 470 H CB -1.632 28.100 29.762 -0.050 0.000 1.261 470 H HN 0.360 nan 8.280 nan 0.000 0.333 471 V N -0.910 118.943 119.914 -0.101 0.000 2.872 471 V HA 0.158 4.281 4.120 0.004 0.000 0.307 471 V C 0.987 176.933 176.094 -0.246 0.000 1.072 471 V CA -0.244 61.961 62.300 -0.159 0.000 1.148 471 V CB 0.967 32.713 31.823 -0.128 0.000 0.954 471 V HN 0.324 nan 8.190 nan 0.000 0.490 472 K N 3.238 123.492 120.400 -0.243 0.000 2.350 472 K HA 0.420 4.742 4.320 0.004 0.000 0.279 472 K C 0.536 176.953 176.600 -0.304 0.000 1.027 472 K CA 0.304 56.438 56.287 -0.254 0.000 0.969 472 K CB 0.815 33.220 32.500 -0.159 0.000 0.954 472 K HN 1.083 nan 8.250 nan 0.000 0.474 473 T N -1.235 113.025 114.554 -0.491 0.000 2.883 473 T HA 0.724 5.076 4.350 0.004 0.000 0.284 473 T C 0.687 174.936 174.700 -0.751 0.000 1.041 473 T CA -0.231 61.264 62.100 -1.008 0.000 1.007 473 T CB 1.651 69.599 68.868 -1.532 0.000 1.220 473 T HN 0.785 nan 8.240 nan 0.000 0.552 474 G N 0.863 109.062 108.800 -1.000 0.000 2.552 474 G HA2 -0.265 3.697 3.960 0.004 0.000 0.265 474 G HA3 -0.265 3.697 3.960 0.004 0.000 0.265 474 G C 0.919 175.845 174.900 0.043 0.000 1.234 474 G CA 0.504 45.343 45.100 -0.435 0.000 0.944 474 G HN 1.772 nan 8.290 nan 0.000 0.568 475 I N -1.996 118.584 120.570 0.016 0.000 2.361 475 I HA -0.017 4.156 4.170 0.004 0.000 0.251 475 I C 1.866 177.994 176.117 0.019 0.000 1.133 475 I CA 2.468 63.789 61.300 0.035 0.000 1.413 475 I CB -0.489 37.476 38.000 -0.059 0.000 1.073 475 I HN 0.301 nan 8.210 nan 0.000 0.424 476 D N 1.083 121.459 120.400 -0.040 0.000 2.178 476 D HA -0.159 4.483 4.640 0.004 0.000 0.201 476 D C 2.380 178.713 176.300 0.054 0.000 0.980 476 D CA 1.545 55.547 54.000 0.002 0.000 0.842 476 D CB -0.049 40.725 40.800 -0.043 0.000 0.948 476 D HN 0.406 nan 8.370 nan 0.000 0.472 477 S N -0.459 115.280 115.700 0.063 0.000 2.368 477 S HA -0.038 4.434 4.470 0.004 0.000 0.224 477 S C 2.046 176.824 174.600 0.295 0.000 1.029 477 S CA 0.497 58.827 58.200 0.217 0.000 0.988 477 S CB -0.204 63.196 63.200 0.334 0.000 0.838 477 S HN 0.173 nan 8.310 nan 0.000 0.462 478 L N 0.994 122.339 121.223 0.203 0.000 2.042 478 L HA -0.112 4.230 4.340 0.004 0.000 0.210 478 L C 2.851 179.758 176.870 0.061 0.000 1.076 478 L CA 1.166 56.041 54.840 0.058 0.000 0.749 478 L CB -0.579 41.489 42.059 0.015 0.000 0.893 478 L HN 0.208 nan 8.230 nan 0.000 0.432 479 K N 0.424 120.882 120.400 0.096 0.000 2.009 479 K HA -0.255 4.068 4.320 0.004 0.000 0.210 479 K C 1.983 178.676 176.600 0.154 0.000 1.049 479 K CA 1.732 58.081 56.287 0.103 0.000 0.929 479 K CB -0.332 32.232 32.500 0.106 0.000 0.714 479 K HN 0.360 nan 8.250 nan 0.000 0.440 480 E N 0.535 120.858 120.200 0.206 0.000 2.085 480 E HA -0.197 4.155 4.350 0.004 0.000 0.194 480 E C 1.992 178.804 176.600 0.353 0.000 0.994 480 E CA 0.933 57.504 56.400 0.285 0.000 0.801 480 E CB -0.074 29.828 29.700 0.336 0.000 0.743 480 E HN 0.076 nan 8.360 nan 0.000 0.453 481 L N -0.493 120.884 121.223 0.256 0.000 2.141 481 L HA 0.078 4.421 4.340 0.004 0.000 0.209 481 L C 1.629 178.472 176.870 -0.046 0.000 1.094 481 L CA 2.081 56.919 54.840 -0.003 0.000 0.763 481 L CB -0.067 41.912 42.059 -0.134 0.000 0.908 481 L HN 0.381 nan 8.230 nan 0.000 0.437 482 G N -0.931 107.814 108.800 -0.091 0.000 2.176 482 G HA2 -0.269 3.694 3.960 0.004 0.000 0.232 482 G HA3 -0.269 3.694 3.960 0.004 0.000 0.232 482 G C 0.417 175.146 174.900 -0.286 0.000 0.986 482 G CA 0.171 45.023 45.100 -0.414 0.000 0.643 482 G HN 0.632 nan 8.290 nan 0.000 0.522 483 I N -0.079 120.385 120.570 -0.177 0.000 2.892 483 I HA 0.580 4.752 4.170 0.004 0.000 0.287 483 I C 1.501 177.580 176.117 -0.063 0.000 1.205 483 I CA 0.868 62.108 61.300 -0.100 0.000 1.409 483 I CB 0.671 38.643 38.000 -0.046 0.000 1.367 483 I HN 0.297 nan 8.210 nan 0.000 0.597 484 T N -0.035 114.508 114.554 -0.019 0.000 3.037 484 T HA 0.264 4.616 4.350 0.004 0.000 0.252 484 T C 0.604 175.326 174.700 0.036 0.000 1.073 484 T CA 0.493 62.593 62.100 -0.000 0.000 1.091 484 T CB -0.346 68.522 68.868 0.001 0.000 0.935 484 T HN 0.773 nan 8.240 nan 0.000 0.488 485 T N 1.509 116.099 114.554 0.060 0.000 3.172 485 T HA 0.537 4.889 4.350 0.004 0.000 0.320 485 T C -1.131 173.639 174.700 0.117 0.000 1.085 485 T CA -0.645 61.505 62.100 0.084 0.000 1.052 485 T CB 2.237 71.161 68.868 0.093 0.000 1.107 485 T HN 0.028 nan 8.240 nan 0.000 0.458 486 V N 3.471 123.443 119.914 0.098 0.000 2.407 486 V HA 0.392 4.515 4.120 0.004 0.000 0.278 486 V C 0.325 176.469 176.094 0.084 0.000 1.037 486 V CA -0.545 61.830 62.300 0.124 0.000 0.900 486 V CB 1.444 33.308 31.823 0.068 0.000 0.983 486 V HN 0.856 nan 8.190 nan 0.000 0.459 487 Q N 5.172 125.053 119.800 0.134 0.000 2.360 487 Q HA 0.472 4.814 4.340 0.004 0.000 0.254 487 Q C -1.164 174.864 176.000 0.047 0.000 0.975 487 Q CA -0.540 55.339 55.803 0.127 0.000 0.912 487 Q CB 0.956 29.879 28.738 0.308 0.000 1.212 487 Q HN 0.695 nan 8.270 nan 0.000 0.452 488 L N 3.968 125.153 121.223 -0.063 0.000 2.331 488 L HA 0.235 4.578 4.340 0.004 0.000 0.278 488 L C 0.626 177.416 176.870 -0.133 0.000 1.106 488 L CA -0.412 54.345 54.840 -0.137 0.000 0.824 488 L CB 1.062 42.979 42.059 -0.236 0.000 1.142 488 L HN 0.620 nan 8.230 nan 0.000 0.443 489 Q N 3.487 123.197 119.800 -0.151 0.000 2.524 489 Q HA 0.093 4.436 4.340 0.004 0.000 0.246 489 Q C -2.113 173.720 176.000 -0.278 0.000 1.063 489 Q CA -1.637 54.032 55.803 -0.224 0.000 0.945 489 Q CB 0.016 28.625 28.738 -0.214 0.000 1.292 489 Q HN 0.340 nan 8.270 nan 0.000 0.518 490 P HA -0.128 nan 4.420 nan 0.000 0.258 490 P C 0.077 177.359 177.300 -0.030 0.000 1.172 490 P CA 0.594 63.525 63.100 -0.282 0.000 0.762 490 P CB 0.246 31.664 31.700 -0.469 0.000 0.764 491 V N 0.783 120.652 119.914 -0.075 0.000 3.528 491 V HA 0.236 4.358 4.120 0.004 0.000 0.294 491 V C 0.435 176.494 176.094 -0.058 0.000 1.404 491 V CA 0.233 62.571 62.300 0.063 0.000 1.065 491 V CB -0.635 31.227 31.823 0.065 0.000 0.904 491 V HN 0.274 nan 8.190 nan 0.000 0.435 492 E N 2.086 122.185 120.200 -0.170 0.000 2.316 492 E HA 0.231 4.584 4.350 0.004 0.000 0.275 492 E C -0.077 176.498 176.600 -0.042 0.000 1.029 492 E CA -0.267 56.072 56.400 -0.102 0.000 0.871 492 E CB 1.007 30.610 29.700 -0.162 0.000 1.022 492 E HN 0.507 nan 8.360 nan 0.000 0.418 493 E N 3.179 123.328 120.200 -0.085 0.000 2.966 493 E HA -0.109 4.244 4.350 0.004 0.000 0.254 493 E C -1.216 175.240 176.600 -0.241 0.000 0.923 493 E CA 0.531 56.777 56.400 -0.256 0.000 0.960 493 E CB -0.004 29.580 29.700 -0.193 0.000 0.901 493 E HN 0.295 nan 8.360 nan 0.000 0.525 494 F N 2.385 122.192 119.950 -0.238 0.000 2.618 494 F HA 0.509 5.039 4.527 0.004 0.000 0.332 494 F C 0.823 176.468 175.800 -0.259 0.000 1.061 494 F CA -1.391 56.464 58.000 -0.242 0.000 0.974 494 F CB 0.862 39.749 39.000 -0.188 0.000 1.310 494 F HN 0.323 nan 8.300 nan 0.000 0.491 495 N N -0.259 118.430 118.700 -0.019 0.000 2.415 495 N HA -0.084 4.658 4.740 0.004 0.000 0.176 495 N C 1.472 176.955 175.510 -0.047 0.000 1.042 495 N CA 1.099 54.011 53.050 -0.230 0.000 0.902 495 N CB 0.062 38.208 38.487 -0.569 0.000 0.986 495 N HN 0.673 nan 8.380 nan 0.000 0.447 496 S N -0.633 115.171 115.700 0.173 0.000 2.481 496 S HA 0.089 4.561 4.470 0.004 0.000 0.231 496 S C 0.675 175.343 174.600 0.113 0.000 0.996 496 S CA 0.227 58.522 58.200 0.158 0.000 0.942 496 S CB -0.181 63.136 63.200 0.195 0.000 0.768 496 S HN 0.205 nan 8.310 nan 0.000 0.520 497 I N 2.662 123.280 120.570 0.079 0.000 2.339 497 I HA 0.273 4.446 4.170 0.004 0.000 0.290 497 I C -0.573 175.476 176.117 -0.113 0.000 0.994 497 I CA -0.769 60.519 61.300 -0.019 0.000 1.191 497 I CB 1.318 39.283 38.000 -0.058 0.000 1.343 497 I HN 0.001 nan 8.210 nan 0.000 0.458 498 D N 6.232 126.583 120.400 -0.081 0.000 2.358 498 D HA 0.007 4.650 4.640 0.004 0.000 0.258 498 D C 0.929 177.161 176.300 -0.115 0.000 1.223 498 D CA 0.289 54.230 54.000 -0.098 0.000 0.886 498 D CB 0.973 41.735 40.800 -0.063 0.000 1.120 498 D HN 0.511 nan 8.370 nan 0.000 0.482 499 E N 1.412 121.525 120.200 -0.145 0.000 2.401 499 E HA -0.130 4.223 4.350 0.004 0.000 0.199 499 E C 1.496 178.034 176.600 -0.102 0.000 1.023 499 E CA 1.032 57.344 56.400 -0.146 0.000 0.859 499 E CB 0.129 29.732 29.700 -0.162 0.000 0.780 499 E HN 0.644 nan 8.360 nan 0.000 0.523 500 T N -1.741 112.762 114.554 -0.085 0.000 3.088 500 T HA -0.003 4.349 4.350 0.004 0.000 0.259 500 T C 1.031 175.702 174.700 -0.049 0.000 1.122 500 T CA 0.215 62.277 62.100 -0.064 0.000 1.095 500 T CB 0.326 69.158 68.868 -0.060 0.000 0.930 500 T HN -0.139 nan 8.240 nan 0.000 0.508 501 Q N 1.431 121.201 119.800 -0.050 0.000 2.943 501 Q HA 0.276 4.618 4.340 0.004 0.000 0.327 501 Q C -2.312 173.669 176.000 -0.031 0.000 0.937 501 Q CA -1.780 54.004 55.803 -0.030 0.000 0.914 501 Q CB 1.714 30.439 28.738 -0.021 0.000 1.339 501 Q HN 0.380 nan 8.270 nan 0.000 0.417 502 P HA 0.012 nan 4.420 nan 0.000 0.245 502 P C -0.033 177.266 177.300 -0.002 0.000 1.212 502 P CA 0.510 63.579 63.100 -0.053 0.000 0.774 502 P CB 0.582 32.243 31.700 -0.066 0.000 0.999 503 D N -0.182 120.235 120.400 0.028 0.000 2.363 503 D HA 0.022 4.664 4.640 0.004 0.000 0.214 503 D C 0.849 177.208 176.300 0.098 0.000 1.093 503 D CA 0.423 54.467 54.000 0.074 0.000 0.837 503 D CB 0.173 41.013 40.800 0.067 0.000 0.948 503 D HN 0.263 nan 8.370 nan 0.000 0.507 504 T N -1.413 113.186 114.554 0.074 0.000 2.860 504 T HA 0.117 4.470 4.350 0.004 0.000 0.299 504 T C -0.151 174.639 174.700 0.151 0.000 1.045 504 T CA -0.490 61.669 62.100 0.099 0.000 1.071 504 T CB 1.253 70.159 68.868 0.063 0.000 0.985 504 T HN -0.017 nan 8.240 nan 0.000 0.537 505 Y N 2.042 122.377 120.300 0.059 0.000 2.331 505 Y HA 0.533 5.085 4.550 0.004 0.000 0.338 505 Y C -0.046 175.898 175.900 0.072 0.000 0.992 505 Y CA -0.816 57.331 58.100 0.078 0.000 1.121 505 Y CB 0.993 39.453 38.460 -0.000 0.000 1.184 505 Y HN 0.860 nan 8.280 nan 0.000 0.469 506 N N 4.290 122.730 118.700 -0.432 0.000 2.405 506 N HA 0.045 4.787 4.740 0.004 0.000 0.274 506 N C -0.128 175.272 175.510 -0.184 0.000 1.170 506 N CA -0.446 52.475 53.050 -0.216 0.000 0.848 506 N CB 0.894 39.374 38.487 -0.011 0.000 1.629 506 N HN 0.748 nan 8.380 nan 0.000 0.481 507 W N 1.931 123.165 121.300 -0.111 0.000 2.363 507 W HA 0.091 4.753 4.660 0.004 0.000 0.296 507 W C 1.501 177.651 176.519 -0.615 0.000 1.212 507 W CA 1.900 59.196 57.345 -0.082 0.000 1.260 507 W CB -0.687 28.899 29.460 0.210 0.000 1.131 507 W HN 0.888 nan 8.180 nan 0.000 0.530 508 G N -1.851 106.496 108.800 -0.756 0.000 2.131 508 G HA2 -0.303 3.659 3.960 0.004 0.000 0.201 508 G HA3 -0.303 3.659 3.960 0.004 0.000 0.201 508 G C 0.027 174.376 174.900 -0.919 0.000 1.000 508 G CA -0.101 43.944 45.100 -1.759 0.000 0.680 508 G HN 0.286 nan 8.290 nan 0.000 0.514 509 Y N 1.561 121.761 120.300 -0.166 0.000 2.496 509 Y HA 0.265 4.817 4.550 0.004 0.000 0.313 509 Y C 1.087 177.034 175.900 0.079 0.000 1.184 509 Y CA 0.095 58.206 58.100 0.018 0.000 1.275 509 Y CB 0.419 38.988 38.460 0.181 0.000 1.103 509 Y HN 0.423 nan 8.280 nan 0.000 0.513 510 D N -0.439 120.008 120.400 0.079 0.000 2.634 510 D HA 0.160 4.802 4.640 0.004 0.000 0.318 510 D C -3.171 173.198 176.300 0.115 0.000 1.226 510 D CA -2.088 52.020 54.000 0.180 0.000 0.899 510 D CB 0.700 41.653 40.800 0.255 0.000 1.025 510 D HN 0.064 nan 8.370 nan 0.000 0.501 511 P HA 0.096 nan 4.420 nan 0.000 0.269 511 P C 0.329 177.503 177.300 -0.210 0.000 1.209 511 P CA -0.183 62.776 63.100 -0.234 0.000 0.776 511 P CB 2.150 33.508 31.700 -0.570 0.000 0.876 512 R N 2.197 122.509 120.500 -0.314 0.000 2.437 512 R HA 0.166 4.508 4.340 0.004 0.000 0.184 512 R C -0.045 176.072 176.300 -0.305 0.000 0.850 512 R CA 0.102 56.048 56.100 -0.256 0.000 1.073 512 R CB 0.528 30.570 30.300 -0.429 0.000 1.336 512 R HN 0.439 nan 8.270 nan 0.000 0.640 513 N N 1.138 119.670 118.700 -0.280 0.000 2.696 513 N HA 0.105 4.848 4.740 0.004 0.000 0.246 513 N C -0.733 174.775 175.510 -0.004 0.000 1.057 513 N CA -0.185 52.795 53.050 -0.116 0.000 0.867 513 N CB 1.251 39.693 38.487 -0.075 0.000 1.141 513 N HN 0.161 nan 8.380 nan 0.000 0.517 514 Y N 0.974 121.381 120.300 0.180 0.000 2.403 514 Y HA -0.020 4.532 4.550 0.004 0.000 0.291 514 Y C 1.400 177.570 175.900 0.450 0.000 1.143 514 Y CA 0.923 59.183 58.100 0.266 0.000 1.257 514 Y CB 0.127 38.847 38.460 0.434 0.000 0.984 514 Y HN 0.368 nan 8.280 nan 0.000 0.550 515 N N -0.282 118.701 118.700 0.471 0.000 2.273 515 N HA 0.161 4.903 4.740 0.004 0.000 0.231 515 N C -0.949 174.708 175.510 0.246 0.000 1.134 515 N CA 0.268 53.535 53.050 0.362 0.000 0.856 515 N CB 1.236 39.703 38.487 -0.033 0.000 1.068 515 N HN -0.056 nan 8.380 nan 0.000 0.510 516 V N 1.819 121.937 119.914 0.341 0.000 2.588 516 V HA 0.409 4.532 4.120 0.004 0.000 0.304 516 V C -2.382 173.886 176.094 0.290 0.000 1.042 516 V CA -1.990 60.440 62.300 0.218 0.000 0.877 516 V CB 2.627 34.504 31.823 0.090 0.000 0.996 516 V HN -0.124 nan 8.190 nan 0.000 0.425 517 P HA 0.156 nan 4.420 nan 0.000 0.271 517 P C -0.445 176.914 177.300 0.097 0.000 1.216 517 P CA -0.227 63.002 63.100 0.216 0.000 0.776 517 P CB 0.505 32.288 31.700 0.139 0.000 0.881 518 E N 1.954 122.181 120.200 0.045 0.000 2.558 518 E HA 0.036 4.389 4.350 0.004 0.000 0.255 518 E C 1.492 177.960 176.600 -0.220 0.000 0.968 518 E CA 0.765 57.004 56.400 -0.268 0.000 0.939 518 E CB -0.256 29.126 29.700 -0.531 0.000 0.921 518 E HN 0.556 nan 8.360 nan 0.000 0.477 519 G N 3.884 112.498 108.800 -0.310 0.000 2.421 519 G HA2 -0.186 3.776 3.960 0.004 0.000 0.217 519 G HA3 -0.186 3.776 3.960 0.004 0.000 0.217 519 G C 1.327 176.066 174.900 -0.268 0.000 1.143 519 G CA 0.562 45.540 45.100 -0.203 0.000 0.784 519 G HN 0.672 nan 8.290 nan 0.000 0.541 520 A N 0.181 122.713 122.820 -0.481 0.000 2.024 520 A HA 0.020 4.342 4.320 0.004 0.000 0.220 520 A C 1.946 179.334 177.584 -0.326 0.000 1.164 520 A CA 1.170 52.948 52.037 -0.432 0.000 0.643 520 A CB -0.467 18.206 19.000 -0.544 0.000 0.806 520 A HN 0.418 nan 8.150 nan 0.000 0.451 521 Y N -0.715 119.379 120.300 -0.343 0.000 2.466 521 Y HA 0.530 5.083 4.550 0.004 0.000 0.272 521 Y C 1.335 176.906 175.900 -0.548 0.000 1.169 521 Y CA -0.704 57.029 58.100 -0.612 0.000 1.285 521 Y CB -0.964 36.762 38.460 -1.223 0.000 1.078 521 Y HN 0.295 nan 8.280 nan 0.000 0.523 522 A N 0.129 122.900 122.820 -0.081 0.000 2.279 522 A HA 0.397 4.719 4.320 0.004 0.000 0.303 522 A C 1.539 179.152 177.584 0.047 0.000 1.108 522 A CA 0.192 52.291 52.037 0.104 0.000 0.830 522 A CB 0.259 19.349 19.000 0.150 0.000 1.106 522 A HN 0.361 nan 8.150 nan 0.000 0.493 523 T N -1.929 112.667 114.554 0.070 0.000 2.962 523 T HA 0.092 4.444 4.350 0.004 0.000 0.270 523 T C 0.696 175.409 174.700 0.022 0.000 1.088 523 T CA 1.598 63.724 62.100 0.044 0.000 1.127 523 T CB -0.296 68.601 68.868 0.048 0.000 0.883 523 T HN 0.991 nan 8.240 nan 0.000 0.493 524 T N 1.206 115.773 114.554 0.021 0.000 2.932 524 T HA 0.480 4.832 4.350 0.004 0.000 0.318 524 T C -2.618 172.081 174.700 -0.003 0.000 1.265 524 T CA -1.521 60.581 62.100 0.003 0.000 1.036 524 T CB 2.268 71.139 68.868 0.005 0.000 1.209 524 T HN -0.181 nan 8.240 nan 0.000 0.484 525 P HA 0.177 nan 4.420 nan 0.000 0.245 525 P C -0.048 177.244 177.300 -0.014 0.000 1.206 525 P CA 0.079 63.158 63.100 -0.036 0.000 0.781 525 P CB 0.312 31.969 31.700 -0.071 0.000 0.994 526 E N 1.047 121.245 120.200 -0.003 0.000 2.344 526 E HA 0.288 4.640 4.350 0.004 0.000 0.270 526 E C 1.425 178.043 176.600 0.030 0.000 1.021 526 E CA 0.595 57.005 56.400 0.017 0.000 0.887 526 E CB 0.204 29.912 29.700 0.012 0.000 0.997 526 E HN 0.189 nan 8.360 nan 0.000 0.429 527 G N 3.400 112.234 108.800 0.057 0.000 2.574 527 G HA2 -0.382 3.580 3.960 0.004 0.000 0.286 527 G HA3 -0.382 3.580 3.960 0.004 0.000 0.286 527 G C 0.772 175.678 174.900 0.009 0.000 1.212 527 G CA 0.733 45.853 45.100 0.033 0.000 0.979 527 G HN 0.642 nan 8.290 nan 0.000 0.557 528 T N -1.776 112.770 114.554 -0.014 0.000 3.105 528 T HA 0.621 4.974 4.350 0.004 0.000 0.253 528 T C 2.251 176.939 174.700 -0.020 0.000 1.047 528 T CA 1.233 63.317 62.100 -0.026 0.000 0.944 528 T CB 0.436 69.267 68.868 -0.062 0.000 1.016 528 T HN 1.822 nan 8.240 nan 0.000 0.544 529 A N 3.430 126.250 122.820 -0.001 0.000 1.940 529 A HA -0.174 4.148 4.320 0.004 0.000 0.219 529 A C 2.533 180.142 177.584 0.042 0.000 1.176 529 A CA 1.689 53.734 52.037 0.013 0.000 0.631 529 A CB -0.692 18.324 19.000 0.027 0.000 0.814 529 A HN 0.761 nan 8.150 nan 0.000 0.446 530 R N -0.199 120.342 120.500 0.068 0.000 2.120 530 R HA -0.048 4.295 4.340 0.004 0.000 0.234 530 R C 1.791 178.128 176.300 0.062 0.000 1.123 530 R CA 1.757 57.935 56.100 0.131 0.000 0.975 530 R CB -0.708 29.673 30.300 0.136 0.000 0.866 530 R HN 0.505 nan 8.270 nan 0.000 0.446 531 I N 1.360 121.950 120.570 0.033 0.000 2.193 531 I HA -0.174 3.999 4.170 0.004 0.000 0.240 531 I C 2.015 178.063 176.117 -0.114 0.000 1.084 531 I CA 1.596 62.911 61.300 0.024 0.000 1.365 531 I CB -0.578 37.396 38.000 -0.043 0.000 1.064 531 I HN 0.193 nan 8.210 nan 0.000 0.410 532 T N 0.381 114.846 114.554 -0.149 0.000 2.720 532 T HA -0.191 4.162 4.350 0.004 0.000 0.268 532 T C 1.738 176.342 174.700 -0.160 0.000 1.037 532 T CA 1.493 63.468 62.100 -0.208 0.000 1.144 532 T CB -0.288 68.494 68.868 -0.144 0.000 0.864 532 T HN 0.394 nan 8.240 nan 0.000 0.444 533 E N 0.373 120.533 120.200 -0.065 0.000 2.107 533 E HA -0.032 4.320 4.350 0.004 0.000 0.191 533 E C 2.086 178.619 176.600 -0.112 0.000 0.982 533 E CA 0.527 56.927 56.400 0.000 0.000 0.809 533 E CB -0.173 29.626 29.700 0.165 0.000 0.756 533 E HN 0.210 nan 8.360 nan 0.000 0.459 534 L N 1.663 122.683 121.223 -0.338 0.000 2.093 534 L HA -0.130 4.212 4.340 0.004 0.000 0.208 534 L C 1.744 178.487 176.870 -0.212 0.000 1.085 534 L CA 1.792 56.303 54.840 -0.548 0.000 0.755 534 L CB -0.132 41.493 42.059 -0.723 0.000 0.904 534 L HN -0.121 nan 8.230 nan 0.000 0.435 535 K N -0.816 119.469 120.400 -0.191 0.000 2.103 535 K HA -0.207 4.115 4.320 0.004 0.000 0.207 535 K C 2.086 178.595 176.600 -0.151 0.000 1.048 535 K CA 1.851 57.937 56.287 -0.335 0.000 0.930 535 K CB -0.197 31.699 32.500 -1.007 0.000 0.716 535 K HN 0.513 nan 8.250 nan 0.000 0.444 536 Q N 0.773 120.500 119.800 -0.121 0.000 2.119 536 Q HA -0.122 4.220 4.340 0.004 0.000 0.201 536 Q C 2.236 178.262 176.000 0.043 0.000 0.972 536 Q CA 1.001 56.806 55.803 0.003 0.000 0.847 536 Q CB -0.137 28.610 28.738 0.015 0.000 0.903 536 Q HN 0.333 nan 8.270 nan 0.000 0.433 537 L N 0.580 121.800 121.223 -0.004 0.000 1.989 537 L HA -0.238 4.104 4.340 0.004 0.000 0.211 537 L C 2.122 178.948 176.870 -0.073 0.000 1.071 537 L CA 1.450 56.275 54.840 -0.025 0.000 0.749 537 L CB -0.171 41.797 42.059 -0.152 0.000 0.890 537 L HN 0.215 nan 8.230 nan 0.000 0.431 538 I N -0.384 120.125 120.570 -0.102 0.000 2.179 538 I HA -0.342 3.830 4.170 0.004 0.000 0.242 538 I C 2.689 178.676 176.117 -0.216 0.000 1.088 538 I CA 1.669 62.849 61.300 -0.200 0.000 1.357 538 I CB -0.429 37.520 38.000 -0.085 0.000 1.051 538 I HN 0.478 nan 8.210 nan 0.000 0.409 539 Q N 0.603 120.460 119.800 0.096 0.000 2.096 539 Q HA -0.227 4.116 4.340 0.004 0.000 0.204 539 Q C 2.314 178.403 176.000 0.148 0.000 0.982 539 Q CA 2.282 58.205 55.803 0.200 0.000 0.850 539 Q CB 0.025 28.973 28.738 0.350 0.000 0.901 539 Q HN 0.409 nan 8.270 nan 0.000 0.422 540 S N 0.430 116.205 115.700 0.124 0.000 2.368 540 S HA -0.087 4.386 4.470 0.004 0.000 0.224 540 S C 1.876 176.560 174.600 0.140 0.000 1.029 540 S CA 0.998 59.290 58.200 0.154 0.000 0.988 540 S CB -0.192 63.097 63.200 0.147 0.000 0.838 540 S HN 0.353 nan 8.310 nan 0.000 0.462 541 L N 0.558 121.829 121.223 0.080 0.000 2.046 541 L HA -0.136 4.206 4.340 0.004 0.000 0.208 541 L C 2.474 179.444 176.870 0.165 0.000 1.077 541 L CA 1.203 56.097 54.840 0.089 0.000 0.747 541 L CB -0.694 41.378 42.059 0.022 0.000 0.896 541 L HN 0.328 nan 8.230 nan 0.000 0.432 542 H N -0.034 119.083 119.070 0.078 0.000 2.387 542 H HA -0.191 4.367 4.556 0.004 0.000 0.299 542 H C 2.284 177.661 175.328 0.081 0.000 1.099 542 H CA 1.239 57.324 56.048 0.062 0.000 1.315 542 H CB -0.307 29.483 29.762 0.047 0.000 1.380 542 H HN 0.404 nan 8.280 nan 0.000 0.513 543 Q N -0.006 119.932 119.800 0.230 0.000 2.291 543 Q HA -0.119 4.223 4.340 0.004 0.000 0.206 543 Q C 1.065 177.156 176.000 0.151 0.000 0.976 543 Q CA 0.903 56.809 55.803 0.171 0.000 0.875 543 Q CB 0.248 29.088 28.738 0.171 0.000 0.927 543 Q HN 0.371 nan 8.270 nan 0.000 0.450 544 Q N -0.180 119.715 119.800 0.160 0.000 2.222 544 Q HA 0.151 4.493 4.340 0.004 0.000 0.206 544 Q C -0.444 175.620 176.000 0.106 0.000 0.877 544 Q CA 0.024 55.908 55.803 0.134 0.000 0.958 544 Q CB 0.519 29.341 28.738 0.140 0.000 1.075 544 Q HN 0.267 nan 8.270 nan 0.000 0.483 545 R N 0.091 120.657 120.500 0.110 0.000 3.525 545 R HA -0.170 4.172 4.340 0.004 0.000 0.276 545 R C -0.552 175.794 176.300 0.077 0.000 1.116 545 R CA 0.437 56.586 56.100 0.082 0.000 0.745 545 R CB -2.241 28.094 30.300 0.058 0.000 1.185 545 R HN 0.227 nan 8.270 nan 0.000 0.454 546 I N -0.054 120.585 120.570 0.115 0.000 2.406 546 I HA 0.379 4.551 4.170 0.004 0.000 0.290 546 I C 1.266 177.483 176.117 0.166 0.000 0.999 546 I CA -0.556 60.806 61.300 0.103 0.000 1.124 546 I CB 1.869 39.918 38.000 0.081 0.000 1.289 546 I HN 0.172 nan 8.210 nan 0.000 0.441 547 G N 4.871 113.747 108.800 0.126 0.000 2.528 547 G HA2 0.565 4.527 3.960 0.004 0.000 0.289 547 G HA3 0.565 4.527 3.960 0.004 0.000 0.289 547 G C -0.824 174.129 174.900 0.089 0.000 1.192 547 G CA -0.310 44.883 45.100 0.154 0.000 0.921 547 G HN 0.350 nan 8.290 nan 0.000 0.512 548 V N 1.630 121.582 119.914 0.063 0.000 2.443 548 V HA 0.314 4.436 4.120 0.004 0.000 0.293 548 V C -0.972 175.066 176.094 -0.095 0.000 1.021 548 V CA -1.147 61.126 62.300 -0.046 0.000 0.848 548 V CB 1.536 33.284 31.823 -0.124 0.000 0.998 548 V HN 0.631 nan 8.190 nan 0.000 0.424 549 N N 4.699 123.349 118.700 -0.083 0.000 2.408 549 N HA 0.583 5.326 4.740 0.004 0.000 0.280 549 N C -0.576 174.813 175.510 -0.202 0.000 1.002 549 N CA -0.357 52.602 53.050 -0.152 0.000 0.907 549 N CB 1.883 40.395 38.487 0.042 0.000 1.161 549 N HN 0.598 nan 8.380 nan 0.000 0.488 550 M N 0.803 120.195 119.600 -0.348 0.000 2.144 550 M HA 0.115 4.598 4.480 0.004 0.000 0.356 550 M C 0.047 176.232 176.300 -0.191 0.000 1.217 550 M CA -0.606 54.533 55.300 -0.268 0.000 1.087 550 M CB 0.716 33.125 32.600 -0.318 0.000 1.609 550 M HN 0.297 nan 8.290 nan 0.000 0.467 551 D N 3.842 124.148 120.400 -0.157 0.000 2.401 551 D HA 0.254 4.896 4.640 0.004 0.000 0.254 551 D C -1.088 175.098 176.300 -0.190 0.000 1.192 551 D CA 0.045 53.973 54.000 -0.121 0.000 0.885 551 D CB 0.635 41.401 40.800 -0.055 0.000 1.147 551 D HN 0.381 nan 8.370 nan 0.000 0.478 552 V N 1.428 121.216 119.914 -0.210 0.000 2.823 552 V HA 0.590 4.713 4.120 0.004 0.000 0.312 552 V C -0.038 175.943 176.094 -0.189 0.000 1.072 552 V CA -0.914 61.202 62.300 -0.306 0.000 0.937 552 V CB 2.044 33.626 31.823 -0.402 0.000 1.013 552 V HN 0.193 nan 8.190 nan 0.000 0.430 553 V N 4.030 123.790 119.914 -0.256 0.000 2.592 553 V HA 0.265 4.387 4.120 0.004 0.000 0.278 553 V C 0.223 176.293 176.094 -0.040 0.000 1.087 553 V CA -0.094 62.181 62.300 -0.042 0.000 1.282 553 V CB -0.735 31.094 31.823 0.011 0.000 1.543 553 V HN 0.959 nan 8.190 nan 0.000 0.606 554 Y N 1.510 121.873 120.300 0.106 0.000 2.571 554 Y HA -0.111 4.441 4.550 0.004 0.000 0.294 554 Y C 2.264 178.117 175.900 -0.079 0.000 1.141 554 Y CA 1.201 59.208 58.100 -0.156 0.000 1.308 554 Y CB -0.604 37.698 38.460 -0.264 0.000 1.002 554 Y HN 0.732 nan 8.280 nan 0.000 0.551 555 N N 0.104 118.944 118.700 0.232 0.000 2.457 555 N HA -0.056 4.686 4.740 0.004 0.000 0.180 555 N C 0.043 175.823 175.510 0.450 0.000 1.050 555 N CA 0.948 54.186 53.050 0.314 0.000 0.906 555 N CB -0.265 38.399 38.487 0.295 0.000 0.968 555 N HN 0.525 nan 8.380 nan 0.000 0.445 556 H N -4.173 115.099 119.070 0.337 0.000 3.003 556 H HA 0.516 5.075 4.556 0.004 0.000 0.327 556 H C -1.181 174.413 175.328 0.444 0.000 1.353 556 H CA -0.809 55.478 56.048 0.398 0.000 1.142 556 H CB 0.699 30.628 29.762 0.278 0.000 1.864 556 H HN 0.061 nan 8.280 nan 0.000 0.529 557 T N -0.589 114.243 114.554 0.464 0.000 2.949 557 T HA 0.256 4.608 4.350 0.004 0.000 0.287 557 T C 0.996 175.847 174.700 0.252 0.000 1.034 557 T CA -0.351 61.947 62.100 0.329 0.000 1.018 557 T CB 0.751 69.903 68.868 0.475 0.000 1.135 557 T HN 0.718 nan 8.240 nan 0.000 0.532 558 F N -0.180 119.834 119.950 0.107 0.000 2.154 558 F HA 0.165 4.694 4.527 0.004 0.000 0.301 558 F C 0.378 176.239 175.800 0.103 0.000 1.087 558 F CA 1.025 59.091 58.000 0.110 0.000 1.274 558 F CB -0.420 38.608 39.000 0.046 0.000 1.009 558 F HN 0.581 nan 8.300 nan 0.000 0.485 559 D N -1.108 118.672 120.400 -1.033 0.000 2.713 559 D HA 0.428 5.071 4.640 0.004 0.000 0.306 559 D C -1.197 174.677 176.300 -0.710 0.000 1.299 559 D CA 0.007 53.540 54.000 -0.779 0.000 0.823 559 D CB 2.041 42.365 40.800 -0.794 0.000 1.353 559 D HN 0.074 nan 8.370 nan 0.000 0.447 560 V N -1.402 118.138 119.914 -0.624 0.000 3.204 560 V HA 0.678 4.800 4.120 0.004 0.000 0.316 560 V C 1.597 177.479 176.094 -0.353 0.000 1.160 560 V CA -0.354 61.549 62.300 -0.663 0.000 1.044 560 V CB 1.401 32.459 31.823 -1.276 0.000 1.136 560 V HN 0.916 nan 8.190 nan 0.000 0.455 561 M N -1.040 118.464 119.600 -0.159 0.000 2.801 561 M HA -0.241 4.241 4.480 0.004 0.000 0.146 561 M C 1.114 177.434 176.300 0.034 0.000 0.699 561 M CA 2.333 57.637 55.300 0.007 0.000 0.556 561 M CB -1.707 30.895 32.600 0.003 0.000 2.050 561 M HN 1.135 nan 8.290 nan 0.000 0.258 562 V N -1.184 118.721 119.914 -0.015 0.000 3.649 562 V HA 0.234 4.356 4.120 0.004 0.000 0.275 562 V C 1.045 177.211 176.094 0.119 0.000 1.281 562 V CA 0.531 62.866 62.300 0.058 0.000 1.143 562 V CB -0.279 31.595 31.823 0.084 0.000 0.892 562 V HN 0.540 nan 8.190 nan 0.000 0.441 563 S N 0.391 116.124 115.700 0.055 0.000 2.580 563 S HA 0.164 4.636 4.470 0.004 0.000 0.274 563 S C 0.704 175.397 174.600 0.155 0.000 1.329 563 S CA 0.026 58.311 58.200 0.140 0.000 1.036 563 S CB 1.026 64.303 63.200 0.128 0.000 0.919 563 S HN 0.421 nan 8.310 nan 0.000 0.515 564 D N 1.270 121.712 120.400 0.070 0.000 2.158 564 D HA -0.113 4.530 4.640 0.004 0.000 0.197 564 D C 1.481 177.850 176.300 0.115 0.000 0.995 564 D CA 1.305 55.324 54.000 0.031 0.000 0.846 564 D CB -0.345 40.409 40.800 -0.077 0.000 0.941 564 D HN 0.595 nan 8.370 nan 0.000 0.456 565 F N 1.632 121.636 119.950 0.090 0.000 2.065 565 F HA -0.164 4.365 4.527 0.004 0.000 0.298 565 F C 2.290 178.279 175.800 0.314 0.000 1.112 565 F CA 0.949 58.971 58.000 0.036 0.000 1.212 565 F CB -0.806 38.137 39.000 -0.095 0.000 0.975 565 F HN -0.093 nan 8.300 nan 0.000 0.476 566 D N -0.293 120.437 120.400 0.550 0.000 2.224 566 D HA -0.076 4.566 4.640 0.004 0.000 0.205 566 D C 2.038 178.515 176.300 0.294 0.000 0.965 566 D CA 0.778 55.048 54.000 0.450 0.000 0.852 566 D CB -0.174 40.850 40.800 0.374 0.000 0.947 566 D HN 0.271 nan 8.370 nan 0.000 0.494 567 K N -0.245 120.299 120.400 0.240 0.000 2.366 567 K HA 0.086 4.408 4.320 0.004 0.000 0.198 567 K C 1.786 178.481 176.600 0.158 0.000 1.044 567 K CA 0.437 56.825 56.287 0.168 0.000 0.973 567 K CB 0.591 33.171 32.500 0.132 0.000 0.767 567 K HN 0.203 nan 8.250 nan 0.000 0.475 568 I N -0.218 120.484 120.570 0.220 0.000 2.729 568 I HA -0.046 4.126 4.170 0.004 0.000 0.256 568 I C 0.264 176.475 176.117 0.157 0.000 1.115 568 I CA 0.439 61.852 61.300 0.188 0.000 1.446 568 I CB 0.847 39.008 38.000 0.268 0.000 1.176 568 I HN -0.247 nan 8.210 nan 0.000 0.446 569 V N 2.407 122.488 119.914 0.279 0.000 2.380 569 V HA 0.300 4.422 4.120 0.004 0.000 0.268 569 V C -2.576 173.669 176.094 0.252 0.000 1.008 569 V CA -1.514 60.882 62.300 0.161 0.000 0.823 569 V CB 0.504 32.383 31.823 0.095 0.000 1.053 569 V HN -0.014 nan 8.190 nan 0.000 0.446 570 P HA 0.018 nan 4.420 nan 0.000 0.258 570 P C 0.778 178.241 177.300 0.272 0.000 1.172 570 P CA 1.009 64.249 63.100 0.234 0.000 0.762 570 P CB 0.238 32.029 31.700 0.152 0.000 0.764 571 Q N 0.459 120.493 119.800 0.391 0.000 2.223 571 Q HA -0.346 3.996 4.340 0.004 0.000 0.150 571 Q C 1.069 177.290 176.000 0.367 0.000 0.715 571 Q CA 1.566 57.612 55.803 0.405 0.000 1.376 571 Q CB -2.096 26.743 28.738 0.169 0.000 1.373 571 Q HN 0.552 nan 8.270 nan 0.000 0.940 572 Y N -0.034 120.344 120.300 0.131 0.000 2.333 572 Y HA -0.176 4.377 4.550 0.005 0.000 0.290 572 Y C 1.578 177.410 175.900 -0.113 0.000 1.144 572 Y CA 1.947 60.027 58.100 -0.034 0.000 1.228 572 Y CB -0.093 38.252 38.460 -0.191 0.000 0.985 572 Y HN 0.263 nan 8.280 nan 0.000 0.542 573 Y N -1.555 118.630 120.300 -0.191 0.000 2.578 573 Y HA -0.010 4.543 4.550 0.004 0.000 0.297 573 Y C -0.345 174.893 175.900 -1.102 0.000 1.176 573 Y CA 0.239 57.814 58.100 -0.874 0.000 1.315 573 Y CB -0.310 37.403 38.460 -1.245 0.000 1.031 573 Y HN -0.029 nan 8.280 nan 0.000 0.524 574 Y N -0.788 119.448 120.300 -0.107 0.000 2.562 574 Y HA 0.517 5.069 4.550 0.004 0.000 0.343 574 Y C 0.115 175.959 175.900 -0.092 0.000 1.025 574 Y CA -2.087 56.015 58.100 0.003 0.000 1.082 574 Y CB 1.020 39.676 38.460 0.326 0.000 1.264 574 Y HN -0.324 nan 8.280 nan 0.000 0.478 575 R N 0.966 121.539 120.500 0.122 0.000 2.308 575 R HA 0.483 4.825 4.340 0.004 0.000 0.305 575 R C -0.532 175.799 176.300 0.052 0.000 1.053 575 R CA -0.349 55.745 56.100 -0.011 0.000 0.957 575 R CB 0.727 31.013 30.300 -0.024 0.000 1.022 575 R HN 0.792 nan 8.270 nan 0.000 0.461 576 T N -1.411 113.119 114.554 -0.040 0.000 2.916 576 T HA 0.343 4.696 4.350 0.004 0.000 0.292 576 T C -0.410 174.297 174.700 0.012 0.000 1.055 576 T CA -1.194 60.889 62.100 -0.029 0.000 1.009 576 T CB 1.841 70.668 68.868 -0.069 0.000 1.118 576 T HN 0.548 nan 8.240 nan 0.000 0.497 577 D N 0.386 120.819 120.400 0.054 0.000 2.511 577 D HA 0.387 5.030 4.640 0.004 0.000 0.276 577 D C 1.015 177.390 176.300 0.125 0.000 1.220 577 D CA -0.888 53.150 54.000 0.064 0.000 1.077 577 D CB 0.031 40.856 40.800 0.042 0.000 1.126 577 D HN 0.358 nan 8.370 nan 0.000 0.583 578 S N -1.081 114.668 115.700 0.083 0.000 2.522 578 S HA -0.041 4.432 4.470 0.004 0.000 0.227 578 S C 1.121 175.727 174.600 0.009 0.000 0.986 578 S CA 0.040 58.290 58.200 0.083 0.000 0.929 578 S CB -0.436 62.790 63.200 0.043 0.000 0.769 578 S HN 0.382 nan 8.310 nan 0.000 0.529 579 N N 1.023 119.720 118.700 -0.005 0.000 2.463 579 N HA 0.075 4.818 4.740 0.004 0.000 0.181 579 N C 1.294 176.742 175.510 -0.105 0.000 1.078 579 N CA 0.822 53.837 53.050 -0.058 0.000 0.902 579 N CB 0.087 38.556 38.487 -0.030 0.000 0.970 579 N HN 0.496 nan 8.380 nan 0.000 0.451 580 G N 0.578 109.351 108.800 -0.045 0.000 2.132 580 G HA2 -0.254 3.708 3.960 0.004 0.000 0.234 580 G HA3 -0.254 3.708 3.960 0.004 0.000 0.234 580 G C -0.326 174.549 174.900 -0.040 0.000 0.989 580 G CA -0.283 44.785 45.100 -0.053 0.000 0.676 580 G HN 0.395 nan 8.290 nan 0.000 0.522 581 N N -0.644 118.044 118.700 -0.020 0.000 2.487 581 N HA 0.568 5.311 4.740 0.004 0.000 0.292 581 N C -0.239 175.255 175.510 -0.026 0.000 1.108 581 N CA -0.691 52.348 53.050 -0.018 0.000 0.956 581 N CB 0.646 39.154 38.487 0.036 0.000 1.176 581 N HN 0.211 nan 8.380 nan 0.000 0.484 582 Y N 0.703 121.032 120.300 0.048 0.000 2.544 582 Y HA 0.023 4.575 4.550 0.004 0.000 0.330 582 Y C 1.386 177.306 175.900 0.034 0.000 1.136 582 Y CA -0.394 57.728 58.100 0.037 0.000 1.417 582 Y CB 0.137 38.589 38.460 -0.015 0.000 1.229 582 Y HN 0.422 nan 8.280 nan 0.000 0.532 583 T N -0.930 113.733 114.554 0.182 0.000 2.868 583 T HA 0.111 4.463 4.350 0.004 0.000 0.292 583 T C 0.325 175.097 174.700 0.120 0.000 1.028 583 T CA -0.919 61.252 62.100 0.118 0.000 1.059 583 T CB 0.867 69.782 68.868 0.079 0.000 0.991 583 T HN 0.584 nan 8.240 nan 0.000 0.531 584 N N 0.096 118.844 118.700 0.080 0.000 2.635 584 N HA 0.289 5.031 4.740 0.004 0.000 0.307 584 N C 1.646 177.186 175.510 0.050 0.000 1.433 584 N CA -0.040 53.045 53.050 0.058 0.000 0.973 584 N CB -0.422 38.086 38.487 0.036 0.000 1.304 584 N HN 0.840 nan 8.380 nan 0.000 0.507 585 G N -0.584 108.260 108.800 0.073 0.000 2.450 585 G HA2 -0.280 3.682 3.960 0.004 0.000 0.220 585 G HA3 -0.280 3.682 3.960 0.004 0.000 0.220 585 G C 1.414 176.355 174.900 0.068 0.000 1.130 585 G CA 1.270 46.414 45.100 0.074 0.000 0.760 585 G HN 0.504 nan 8.290 nan 0.000 0.557 586 S N -0.409 115.321 115.700 0.049 0.000 2.501 586 S HA 0.421 4.893 4.470 0.004 0.000 0.220 586 S C 1.362 175.917 174.600 -0.075 0.000 0.997 586 S CA 0.873 59.064 58.200 -0.014 0.000 0.919 586 S CB -0.154 62.967 63.200 -0.131 0.000 0.778 586 S HN 1.683 nan 8.310 nan 0.000 0.523 590 N N 0.319 119.020 118.700 0.001 0.000 2.927 590 N HA 0.455 5.198 4.740 0.004 0.000 0.248 590 N C -1.704 173.952 175.510 0.244 0.000 1.443 590 N CA -0.621 52.481 53.050 0.088 0.000 0.870 590 N CB 1.757 40.190 38.487 -0.090 0.000 1.444 590 N HN 0.336 nan 8.380 nan 0.000 0.519 591 E N -0.023 120.388 120.200 0.352 0.000 2.331 591 E HA 0.371 4.724 4.350 0.004 0.000 0.275 591 E C -1.679 175.170 176.600 0.414 0.000 0.895 591 E CA -0.863 55.760 56.400 0.372 0.000 0.753 591 E CB 1.915 31.752 29.700 0.229 0.000 1.216 591 E HN 0.403 nan 8.360 nan 0.000 0.434 592 F N 2.126 122.204 119.950 0.213 0.000 2.456 592 F HA 0.393 4.923 4.527 0.004 0.000 0.358 592 F C 0.235 176.005 175.800 -0.051 0.000 1.095 592 F CA -0.220 57.803 58.000 0.039 0.000 1.216 592 F CB 0.991 40.026 39.000 0.059 0.000 1.125 592 F HN 0.696 nan 8.300 nan 0.000 0.549 593 A N 4.522 127.005 122.820 -0.563 0.000 3.004 593 A HA 0.193 4.516 4.320 0.004 0.000 0.286 593 A C 1.194 178.496 177.584 -0.471 0.000 1.632 593 A CA 0.173 51.889 52.037 -0.534 0.000 1.339 593 A CB -1.079 17.430 19.000 -0.818 0.000 1.136 593 A HN 0.932 nan 8.150 nan 0.000 0.577 594 T N -0.805 113.658 114.554 -0.153 0.000 3.051 594 T HA -0.149 4.204 4.350 0.004 0.000 0.269 594 T C 1.293 175.930 174.700 -0.104 0.000 1.127 594 T CA 1.176 63.253 62.100 -0.037 0.000 1.107 594 T CB -0.153 68.746 68.868 0.052 0.000 0.898 594 T HN 0.723 nan 8.240 nan 0.000 0.517 595 E N 0.964 121.053 120.200 -0.186 0.000 2.478 595 E HA -0.132 4.220 4.350 0.004 0.000 0.198 595 E C -0.234 176.316 176.600 -0.083 0.000 1.046 595 E CA 0.458 56.771 56.400 -0.145 0.000 0.870 595 E CB -0.482 29.119 29.700 -0.165 0.000 0.818 595 E HN 0.536 nan 8.360 nan 0.000 0.527 596 H N 1.651 120.574 119.070 -0.245 0.000 2.652 596 H HA 0.234 4.793 4.556 0.005 0.000 0.298 596 H C -1.622 173.616 175.328 -0.151 0.000 1.076 596 H CA -2.859 53.026 56.048 -0.272 0.000 1.360 596 H CB 1.412 30.726 29.762 -0.746 0.000 1.421 596 H HN -0.072 nan 8.280 nan 0.000 0.464 597 P HA -0.212 nan 4.420 nan 0.000 0.216 597 P C 1.608 178.867 177.300 -0.069 0.000 1.157 597 P CA 1.408 64.501 63.100 -0.012 0.000 0.880 597 P CB 0.336 32.029 31.700 -0.011 0.000 0.791 598 M N -1.870 117.624 119.600 -0.177 0.000 2.319 598 M HA 0.017 4.500 4.480 0.004 0.000 0.265 598 M C 2.015 178.301 176.300 -0.023 0.000 1.068 598 M CA 1.252 56.359 55.300 -0.321 0.000 1.118 598 M CB -1.683 30.221 32.600 -1.159 0.000 1.395 598 M HN -0.108 nan 8.290 nan 0.000 0.435 599 A N -0.282 122.509 122.820 -0.050 0.000 1.872 599 A HA -0.189 4.133 4.320 0.004 0.000 0.214 599 A C 2.142 179.917 177.584 0.318 0.000 1.187 599 A CA 1.537 53.614 52.037 0.067 0.000 0.614 599 A CB -0.723 17.975 19.000 -0.504 0.000 0.826 599 A HN 0.549 nan 8.150 nan 0.000 0.442 600 Q N -0.086 119.791 119.800 0.128 0.000 2.061 600 Q HA -0.262 4.081 4.340 0.004 0.000 0.204 600 Q C 2.158 178.209 176.000 0.085 0.000 0.984 600 Q CA 2.162 58.025 55.803 0.100 0.000 0.846 600 Q CB -0.190 28.556 28.738 0.013 0.000 0.902 600 Q HN 0.684 nan 8.270 nan 0.000 0.421 601 K N -0.371 120.081 120.400 0.087 0.000 2.103 601 K HA -0.204 4.118 4.320 0.004 0.000 0.207 601 K C 1.912 178.612 176.600 0.167 0.000 1.048 601 K CA 1.408 57.749 56.287 0.091 0.000 0.930 601 K CB -0.373 32.169 32.500 0.069 0.000 0.716 601 K HN 0.249 nan 8.250 nan 0.000 0.444 602 F N 1.116 121.165 119.950 0.166 0.000 2.126 602 F HA -0.226 4.303 4.527 0.004 0.000 0.299 602 F C 1.735 177.482 175.800 -0.089 0.000 1.096 602 F CA 1.456 59.543 58.000 0.146 0.000 1.255 602 F CB -0.268 38.902 39.000 0.284 0.000 0.997 602 F HN -0.183 nan 8.300 nan 0.000 0.479 603 V N 0.762 120.601 119.914 -0.126 0.000 2.307 603 V HA -0.296 3.826 4.120 0.004 0.000 0.245 603 V C 2.474 178.263 176.094 -0.508 0.000 1.045 603 V CA 2.002 63.962 62.300 -0.568 0.000 1.024 603 V CB -0.784 30.745 31.823 -0.489 0.000 0.651 603 V HN 0.377 nan 8.190 nan 0.000 0.449 604 L N -0.122 120.946 121.223 -0.258 0.000 2.012 604 L HA -0.213 4.130 4.340 0.004 0.000 0.210 604 L C 2.409 179.202 176.870 -0.128 0.000 1.073 604 L CA 1.717 56.452 54.840 -0.176 0.000 0.748 604 L CB -0.808 41.199 42.059 -0.088 0.000 0.891 604 L HN 0.325 nan 8.230 nan 0.000 0.431 605 D N -0.854 119.489 120.400 -0.096 0.000 2.117 605 D HA -0.186 4.457 4.640 0.004 0.000 0.197 605 D C 2.377 178.642 176.300 -0.058 0.000 0.987 605 D CA 1.509 55.506 54.000 -0.004 0.000 0.829 605 D CB -0.113 40.786 40.800 0.165 0.000 0.961 605 D HN 0.143 nan 8.370 nan 0.000 0.460 606 S N 0.015 115.541 115.700 -0.289 0.000 2.356 606 S HA -0.139 4.334 4.470 0.004 0.000 0.223 606 S C 2.222 176.928 174.600 0.177 0.000 1.032 606 S CA 1.707 59.830 58.200 -0.129 0.000 1.005 606 S CB -0.271 62.736 63.200 -0.321 0.000 0.867 606 S HN 0.188 nan 8.310 nan 0.000 0.449 607 V N 0.784 120.652 119.914 -0.076 0.000 2.427 607 V HA -0.072 4.050 4.120 0.004 0.000 0.248 607 V C 2.114 178.337 176.094 0.215 0.000 1.051 607 V CA 1.963 64.224 62.300 -0.066 0.000 1.048 607 V CB -1.171 30.367 31.823 -0.476 0.000 0.666 607 V HN 0.428 nan 8.190 nan 0.000 0.456 608 N N -0.099 118.685 118.700 0.140 0.000 2.120 608 N HA -0.205 4.538 4.740 0.004 0.000 0.188 608 N C 1.859 177.512 175.510 0.238 0.000 1.024 608 N CA 2.175 55.331 53.050 0.177 0.000 0.852 608 N CB -0.367 38.191 38.487 0.119 0.000 1.003 608 N HN 0.743 nan 8.380 nan 0.000 0.424 609 Y N 0.269 120.642 120.300 0.122 0.000 2.145 609 Y HA -0.192 4.361 4.550 0.004 0.000 0.286 609 Y C 1.937 177.912 175.900 0.125 0.000 1.145 609 Y CA 1.543 59.683 58.100 0.066 0.000 1.148 609 Y CB -0.766 37.665 38.460 -0.049 0.000 0.981 609 Y HN 0.040 nan 8.280 nan 0.000 0.507 610 W N -0.469 120.929 121.300 0.163 0.000 2.358 610 W HA -0.182 4.480 4.660 0.004 0.000 0.303 610 W C 2.509 179.145 176.519 0.197 0.000 1.208 610 W CA 1.973 59.414 57.345 0.160 0.000 1.274 610 W CB -0.733 28.924 29.460 0.329 0.000 1.138 610 W HN -0.130 nan 8.180 nan 0.000 0.515 611 V N 0.747 120.932 119.914 0.451 0.000 2.307 611 V HA -0.312 3.811 4.120 0.004 0.000 0.245 611 V C 2.061 178.294 176.094 0.231 0.000 1.045 611 V CA 2.025 64.505 62.300 0.301 0.000 1.024 611 V CB -0.852 31.131 31.823 0.267 0.000 0.651 611 V HN 0.193 nan 8.190 nan 0.000 0.449 612 N N -0.048 118.750 118.700 0.162 0.000 2.106 612 N HA -0.158 4.584 4.740 0.004 0.000 0.188 612 N C 1.952 177.548 175.510 0.142 0.000 1.029 612 N CA 1.548 54.677 53.050 0.131 0.000 0.848 612 N CB -0.177 38.372 38.487 0.103 0.000 1.007 612 N HN 0.542 nan 8.380 nan 0.000 0.423 613 E N -0.265 119.885 120.200 -0.083 0.000 2.122 613 E HA 0.005 4.357 4.350 0.004 0.000 0.190 613 E C 0.874 177.320 176.600 -0.257 0.000 0.977 613 E CA 1.024 57.256 56.400 -0.280 0.000 0.820 613 E CB -0.074 29.119 29.700 -0.844 0.000 0.770 613 E HN 0.428 nan 8.360 nan 0.000 0.462 614 Y N -1.090 119.187 120.300 -0.039 0.000 2.444 614 Y HA 0.277 4.829 4.550 0.004 0.000 0.249 614 Y C -0.075 175.988 175.900 0.272 0.000 1.134 614 Y CA 0.559 58.719 58.100 0.100 0.000 1.261 614 Y CB 0.198 38.730 38.460 0.121 0.000 1.143 614 Y HN 0.148 nan 8.280 nan 0.000 0.523 615 H N -1.767 117.478 119.070 0.292 0.000 2.862 615 H HA -0.136 4.423 4.556 0.004 0.000 0.290 615 H C -0.161 175.282 175.328 0.191 0.000 1.211 615 H CA -0.207 55.938 56.048 0.162 0.000 1.140 615 H CB -1.912 27.861 29.762 0.018 0.000 1.341 615 H HN -0.027 nan 8.280 nan 0.000 0.392 616 V N 1.398 121.464 119.914 0.255 0.000 2.740 616 V HA -0.084 4.038 4.120 0.004 0.000 0.303 616 V C 1.433 177.504 176.094 -0.040 0.000 1.054 616 V CA 0.952 63.280 62.300 0.047 0.000 1.106 616 V CB 1.140 32.914 31.823 -0.081 0.000 0.957 616 V HN 0.425 nan 8.190 nan 0.000 0.486 617 D N 2.229 122.576 120.400 -0.088 0.000 2.369 617 D HA 0.319 4.961 4.640 0.004 0.000 0.211 617 D C 0.618 176.838 176.300 -0.135 0.000 1.077 617 D CA 0.941 54.900 54.000 -0.067 0.000 0.842 617 D CB 1.349 42.154 40.800 0.008 0.000 0.947 617 D HN 0.766 nan 8.370 nan 0.000 0.509 618 G N 0.113 108.695 108.800 -0.364 0.000 2.322 618 G HA2 0.406 4.368 3.960 0.004 0.000 0.295 618 G HA3 0.406 4.368 3.960 0.004 0.000 0.295 618 G C -2.053 172.378 174.900 -0.782 0.000 1.369 618 G CA -0.911 43.976 45.100 -0.354 0.000 0.821 618 G HN -0.023 nan 8.290 nan 0.000 0.536 619 F N -0.059 119.745 119.950 -0.243 0.000 2.591 619 F HA 0.687 5.217 4.527 0.004 0.000 0.309 619 F C 0.169 175.429 175.800 -0.900 0.000 1.098 619 F CA -0.906 56.745 58.000 -0.582 0.000 0.937 619 F CB 2.567 41.026 39.000 -0.902 0.000 1.250 619 F HN 0.405 nan 8.300 nan 0.000 0.447 620 R N 3.314 123.421 120.500 -0.655 0.000 2.246 620 R HA 0.398 4.740 4.340 0.004 0.000 0.332 620 R C -1.830 174.237 176.300 -0.389 0.000 0.974 620 R CA -0.401 55.302 56.100 -0.661 0.000 0.837 620 R CB 0.225 30.399 30.300 -0.210 0.000 1.145 620 R HN 0.562 nan 8.270 nan 0.000 0.467 621 F N 3.177 123.062 119.950 -0.109 0.000 2.404 621 F HA 0.115 4.644 4.527 0.004 0.000 0.359 621 F C 0.877 176.682 175.800 0.008 0.000 1.134 621 F CA -0.446 57.545 58.000 -0.015 0.000 1.160 621 F CB 0.578 39.563 39.000 -0.025 0.000 1.186 621 F HN 0.497 nan 8.300 nan 0.000 0.526 622 D N 3.852 124.354 120.400 0.171 0.000 2.525 622 D HA 0.018 4.660 4.640 0.004 0.000 0.235 622 D C 0.585 176.955 176.300 0.116 0.000 1.137 622 D CA 0.293 54.375 54.000 0.137 0.000 0.868 622 D CB 0.532 41.459 40.800 0.212 0.000 1.180 622 D HN 0.588 nan 8.370 nan 0.000 0.465 623 L N 3.260 124.486 121.223 0.005 0.000 3.954 623 L HA -0.289 4.053 4.340 0.004 0.000 0.462 623 L C 1.578 178.451 176.870 0.006 0.000 1.195 623 L CA 0.001 54.826 54.840 -0.024 0.000 0.739 623 L CB -1.187 40.924 42.059 0.087 0.000 1.599 623 L HN 0.759 nan 8.230 nan 0.000 0.838 624 M N 0.094 119.679 119.600 -0.026 0.000 2.195 624 M HA -0.250 4.233 4.480 0.004 0.000 0.260 624 M C 2.301 178.573 176.300 -0.047 0.000 1.066 624 M CA 2.268 57.565 55.300 -0.006 0.000 1.089 624 M CB 0.078 32.676 32.600 -0.003 0.000 1.377 624 M HN 0.632 nan 8.290 nan 0.000 0.411 625 A N 0.774 123.557 122.820 -0.062 0.000 1.927 625 A HA -0.218 4.104 4.320 0.004 0.000 0.220 625 A C 1.956 179.540 177.584 -0.001 0.000 1.185 625 A CA 1.877 53.897 52.037 -0.029 0.000 0.639 625 A CB -1.169 17.828 19.000 -0.005 0.000 0.820 625 A HN 0.634 nan 8.150 nan 0.000 0.451 626 L N -0.751 120.488 121.223 0.027 0.000 2.265 626 L HA -0.159 4.183 4.340 0.004 0.000 0.215 626 L C 2.269 179.165 176.870 0.043 0.000 1.117 626 L CA 0.716 55.589 54.840 0.054 0.000 0.782 626 L CB -0.497 41.624 42.059 0.104 0.000 0.914 626 L HN 0.396 nan 8.230 nan 0.000 0.441 627 L N -0.412 120.819 121.223 0.014 0.000 2.291 627 L HA 0.119 4.461 4.340 0.004 0.000 0.214 627 L C 1.074 177.915 176.870 -0.048 0.000 1.120 627 L CA 0.427 55.258 54.840 -0.015 0.000 0.799 627 L CB -0.818 41.185 42.059 -0.094 0.000 0.925 627 L HN 0.410 nan 8.230 nan 0.000 0.446 628 G N 0.171 108.941 108.800 -0.051 0.000 2.721 628 G HA2 -0.219 3.743 3.960 0.004 0.000 0.686 628 G HA3 -0.219 3.743 3.960 0.004 0.000 0.686 628 G C 0.113 174.973 174.900 -0.068 0.000 1.236 628 G CA -0.191 44.879 45.100 -0.050 0.000 0.786 628 G HN 0.101 nan 8.290 nan 0.000 0.616 629 K N 0.200 120.570 120.400 -0.050 0.000 2.032 629 K HA -0.107 4.216 4.320 0.004 0.000 0.209 629 K C 2.016 178.583 176.600 -0.054 0.000 1.048 629 K CA 1.982 58.241 56.287 -0.047 0.000 0.927 629 K CB -0.134 32.350 32.500 -0.027 0.000 0.712 629 K HN 0.547 nan 8.250 nan 0.000 0.441 630 D N -0.038 120.333 120.400 -0.048 0.000 2.123 630 D HA -0.123 4.520 4.640 0.004 0.000 0.196 630 D C 1.893 178.155 176.300 -0.063 0.000 0.992 630 D CA 1.356 55.329 54.000 -0.046 0.000 0.833 630 D CB -0.447 40.330 40.800 -0.038 0.000 0.954 630 D HN 0.151 nan 8.370 nan 0.000 0.455 631 T N 0.829 115.335 114.554 -0.079 0.000 2.708 631 T HA -0.111 4.241 4.350 0.004 0.000 0.266 631 T C 1.883 176.488 174.700 -0.159 0.000 1.037 631 T CA 0.922 62.957 62.100 -0.108 0.000 1.146 631 T CB -0.045 68.760 68.868 -0.106 0.000 0.865 631 T HN 0.055 nan 8.240 nan 0.000 0.435 632 M N 1.175 120.668 119.600 -0.177 0.000 2.175 632 M HA 0.111 4.593 4.480 0.004 0.000 0.264 632 M C 2.767 178.984 176.300 -0.138 0.000 1.063 632 M CA 1.012 56.177 55.300 -0.226 0.000 1.119 632 M CB -1.603 30.868 32.600 -0.214 0.000 1.377 632 M HN 0.301 nan 8.290 nan 0.000 0.415 633 A N 0.386 123.156 122.820 -0.084 0.000 1.902 633 A HA -0.191 4.131 4.320 0.004 0.000 0.217 633 A C 2.328 179.886 177.584 -0.043 0.000 1.181 633 A CA 1.736 53.748 52.037 -0.042 0.000 0.623 633 A CB -0.515 18.469 19.000 -0.027 0.000 0.818 633 A HN 0.485 nan 8.150 nan 0.000 0.443 634 K N -0.585 119.776 120.400 -0.065 0.000 2.057 634 K HA 0.019 4.342 4.320 0.004 0.000 0.206 634 K C 1.830 178.385 176.600 -0.075 0.000 1.050 634 K CA 1.290 57.541 56.287 -0.059 0.000 0.935 634 K CB -0.332 32.131 32.500 -0.062 0.000 0.715 634 K HN 0.516 nan 8.250 nan 0.000 0.439 635 I N 0.674 121.171 120.570 -0.122 0.000 2.127 635 I HA -0.344 3.829 4.170 0.004 0.000 0.241 635 I C 2.672 178.725 176.117 -0.107 0.000 1.075 635 I CA 1.210 62.428 61.300 -0.137 0.000 1.334 635 I CB -0.374 37.481 38.000 -0.242 0.000 1.040 635 I HN 0.175 nan 8.210 nan 0.000 0.405 636 S N 1.000 116.640 115.700 -0.101 0.000 2.359 636 S HA -0.211 4.262 4.470 0.004 0.000 0.224 636 S C 1.886 176.457 174.600 -0.049 0.000 1.035 636 S CA 1.971 60.108 58.200 -0.106 0.000 1.018 636 S CB -0.328 62.902 63.200 0.050 0.000 0.876 636 S HN 0.395 nan 8.310 nan 0.000 0.448 637 N N 1.373 120.087 118.700 0.024 0.000 2.120 637 N HA -0.065 4.677 4.740 0.004 0.000 0.188 637 N C 1.786 177.316 175.510 0.033 0.000 1.024 637 N CA 1.460 54.544 53.050 0.057 0.000 0.852 637 N CB -0.551 37.956 38.487 0.033 0.000 1.003 637 N HN 0.625 nan 8.380 nan 0.000 0.424 638 E N 0.468 120.664 120.200 -0.005 0.000 2.047 638 E HA -0.064 4.288 4.350 0.004 0.000 0.191 638 E C 2.047 178.651 176.600 0.007 0.000 0.987 638 E CA 0.655 57.056 56.400 0.001 0.000 0.799 638 E CB -0.123 29.570 29.700 -0.012 0.000 0.752 638 E HN 0.300 nan 8.360 nan 0.000 0.449 639 L N 0.504 121.706 121.223 -0.035 0.000 2.093 639 L HA -0.146 4.197 4.340 0.004 0.000 0.208 639 L C 2.403 179.260 176.870 -0.021 0.000 1.085 639 L CA 0.805 55.628 54.840 -0.029 0.000 0.755 639 L CB -0.489 41.552 42.059 -0.031 0.000 0.904 639 L HN 0.204 nan 8.230 nan 0.000 0.435 640 H N -0.139 118.968 119.070 0.061 0.000 2.495 640 H HA 0.043 4.601 4.556 0.004 0.000 0.287 640 H C 2.247 177.592 175.328 0.029 0.000 1.033 640 H CA 1.006 57.081 56.048 0.044 0.000 1.307 640 H CB -0.004 29.781 29.762 0.038 0.000 1.401 640 H HN 0.310 nan 8.280 nan 0.000 0.555 641 A N 0.755 123.651 122.820 0.126 0.000 1.969 641 A HA -0.078 4.245 4.320 0.004 0.000 0.218 641 A C 2.554 180.172 177.584 0.057 0.000 1.169 641 A CA 0.901 52.983 52.037 0.074 0.000 0.635 641 A CB -0.546 18.483 19.000 0.050 0.000 0.810 641 A HN 0.272 nan 8.150 nan 0.000 0.445 642 I N -1.033 119.572 120.570 0.058 0.000 2.233 642 I HA -0.072 4.100 4.170 0.004 0.000 0.243 642 I C 0.623 176.764 176.117 0.040 0.000 1.093 642 I CA 0.942 62.268 61.300 0.043 0.000 1.380 642 I CB 0.031 38.060 38.000 0.048 0.000 1.067 642 I HN 0.368 nan 8.210 nan 0.000 0.413 643 N N -0.074 118.667 118.700 0.068 0.000 2.572 643 N HA 0.154 4.896 4.740 0.004 0.000 0.287 643 N C -2.340 173.256 175.510 0.144 0.000 1.136 643 N CA -1.723 51.366 53.050 0.064 0.000 0.900 643 N CB 1.599 40.101 38.487 0.024 0.000 1.484 643 N HN -0.238 nan 8.380 nan 0.000 0.526 644 P HA 0.051 nan 4.420 nan 0.000 0.228 644 P C 1.023 178.373 177.300 0.083 0.000 1.151 644 P CA 0.697 63.855 63.100 0.096 0.000 0.770 644 P CB 0.152 31.846 31.700 -0.008 0.000 0.786 645 G N -0.307 108.544 108.800 0.085 0.000 2.813 645 G HA2 0.034 3.996 3.960 0.004 0.000 0.209 645 G HA3 0.034 3.996 3.960 0.004 0.000 0.209 645 G C 0.714 175.689 174.900 0.125 0.000 1.150 645 G CA -0.260 44.879 45.100 0.066 0.000 0.785 645 G HN 0.230 nan 8.290 nan 0.000 0.535 646 I N 1.506 122.196 120.570 0.200 0.000 2.683 646 I HA 0.020 4.192 4.170 0.004 0.000 0.286 646 I C -0.088 176.186 176.117 0.262 0.000 1.175 646 I CA 0.069 61.469 61.300 0.167 0.000 1.429 646 I CB 1.277 39.339 38.000 0.104 0.000 1.371 646 I HN -0.237 nan 8.210 nan 0.000 0.569 647 V N 8.108 128.138 119.914 0.193 0.000 2.398 647 V HA 0.453 4.575 4.120 0.004 0.000 0.286 647 V C -0.039 176.234 176.094 0.300 0.000 1.026 647 V CA -0.536 61.922 62.300 0.262 0.000 0.868 647 V CB 1.452 33.417 31.823 0.236 0.000 0.982 647 V HN 0.435 nan 8.190 nan 0.000 0.443 648 L N 6.819 128.256 121.223 0.357 0.000 2.410 648 L HA 0.772 5.114 4.340 0.004 0.000 0.270 648 L C -0.916 176.174 176.870 0.368 0.000 0.983 648 L CA -0.600 54.437 54.840 0.328 0.000 0.822 648 L CB 1.794 44.047 42.059 0.323 0.000 1.285 648 L HN 0.808 nan 8.230 nan 0.000 0.409 649 Y N 0.842 121.280 120.300 0.230 0.000 2.750 649 Y HA 0.945 5.498 4.550 0.004 0.000 0.335 649 Y C -0.322 175.659 175.900 0.135 0.000 1.252 649 Y CA -0.946 57.195 58.100 0.069 0.000 1.064 649 Y CB 1.498 39.866 38.460 -0.152 0.000 1.321 649 Y HN 0.662 nan 8.280 nan 0.000 0.451 650 G N -0.158 108.717 108.800 0.123 0.000 2.430 650 G HA2 0.419 4.382 3.960 0.004 0.000 0.300 650 G HA3 0.419 4.382 3.960 0.004 0.000 0.300 650 G C -2.118 172.840 174.900 0.096 0.000 1.330 650 G CA -1.225 43.970 45.100 0.158 0.000 0.813 650 G HN 0.695 nan 8.290 nan 0.000 0.487 651 E N 1.551 121.697 120.200 -0.090 0.000 2.223 651 E HA 0.259 4.611 4.350 0.004 0.000 0.282 651 E C -1.886 174.261 176.600 -0.755 0.000 1.046 651 E CA -1.511 54.450 56.400 -0.733 0.000 0.857 651 E CB 1.870 30.887 29.700 -1.137 0.000 1.055 651 E HN 0.197 nan 8.360 nan 0.000 0.409 652 P HA 0.050 nan 4.420 nan 0.000 0.220 652 P C -1.491 175.788 177.300 -0.036 0.000 1.793 652 P CA -0.068 62.879 63.100 -0.255 0.000 0.917 652 P CB -0.593 31.038 31.700 -0.115 0.000 1.755 653 W N -0.946 120.369 121.300 0.025 0.000 2.988 653 W HA 0.623 5.285 4.660 0.004 0.000 0.355 653 W C -0.722 175.808 176.519 0.019 0.000 1.233 653 W CA -0.860 56.491 57.345 0.009 0.000 1.176 653 W CB -0.096 29.361 29.460 -0.004 0.000 1.477 653 W HN -0.131 nan 8.180 nan 0.000 0.582 654 T N -2.503 112.245 114.554 0.324 0.000 2.919 654 T HA 0.647 4.999 4.350 0.004 0.000 0.282 654 T C 0.463 175.297 174.700 0.224 0.000 1.020 654 T CA -0.145 62.078 62.100 0.205 0.000 0.994 654 T CB 1.474 70.417 68.868 0.124 0.000 1.180 654 T HN 1.244 nan 8.240 nan 0.000 0.566 655 G N -1.611 107.269 108.800 0.134 0.000 3.159 655 G HA2 0.604 4.566 3.960 0.004 0.000 0.232 655 G HA3 0.604 4.566 3.960 0.004 0.000 0.232 655 G C 0.491 175.415 174.900 0.040 0.000 1.116 655 G CA 0.005 45.155 45.100 0.083 0.000 0.767 655 G HN 1.273 nan 8.290 nan 0.000 0.547 656 G N -1.054 107.774 108.800 0.047 0.000 2.340 656 G HA2 0.383 4.345 3.960 0.004 0.000 0.299 656 G HA3 0.383 4.345 3.960 0.004 0.000 0.299 656 G C -1.087 173.836 174.900 0.037 0.000 1.291 656 G CA -0.536 44.582 45.100 0.030 0.000 0.841 656 G HN 0.068 nan 8.290 nan 0.000 0.500 657 T N 1.149 115.721 114.554 0.030 0.000 2.817 657 T HA 0.452 4.804 4.350 0.004 0.000 0.295 657 T C 0.649 175.372 174.700 0.038 0.000 0.958 657 T CA 0.730 62.848 62.100 0.030 0.000 1.157 657 T CB 0.924 69.806 68.868 0.023 0.000 0.898 657 T HN 0.767 nan 8.240 nan 0.000 0.536 658 S N 2.148 117.872 115.700 0.039 0.000 2.578 658 S HA 0.511 4.984 4.470 0.004 0.000 0.283 658 S C 1.652 176.270 174.600 0.029 0.000 1.195 658 S CA -0.500 57.725 58.200 0.042 0.000 1.050 658 S CB 1.038 64.264 63.200 0.044 0.000 1.012 658 S HN 0.815 nan 8.310 nan 0.000 0.511 659 G N 2.810 111.625 108.800 0.026 0.000 2.471 659 G HA2 0.016 3.978 3.960 0.004 0.000 0.219 659 G HA3 0.016 3.978 3.960 0.004 0.000 0.219 659 G C 0.428 175.321 174.900 -0.012 0.000 1.125 659 G CA 0.182 45.286 45.100 0.006 0.000 0.775 659 G HN 0.579 nan 8.290 nan 0.000 0.548 660 L N 2.482 123.699 121.223 -0.010 0.000 2.416 660 L HA 0.381 4.724 4.340 0.004 0.000 0.272 660 L C 0.979 177.844 176.870 -0.008 0.000 1.161 660 L CA -0.679 54.148 54.840 -0.020 0.000 0.845 660 L CB 0.983 43.032 42.059 -0.016 0.000 1.119 660 L HN 0.141 nan 8.230 nan 0.000 0.464 661 S N 2.081 117.773 115.700 -0.013 0.000 2.560 661 S HA 0.040 4.512 4.470 0.004 0.000 0.284 661 S C 1.364 175.964 174.600 0.001 0.000 1.327 661 S CA 0.003 58.200 58.200 -0.004 0.000 1.055 661 S CB 0.597 63.793 63.200 -0.006 0.000 0.868 661 S HN 0.871 nan 8.310 nan 0.000 0.506 662 S N 1.009 116.713 115.700 0.007 0.000 2.440 662 S HA -0.217 4.256 4.470 0.004 0.000 0.238 662 S C 1.430 176.035 174.600 0.008 0.000 1.010 662 S CA 1.191 59.397 58.200 0.011 0.000 0.972 662 S CB -0.786 62.423 63.200 0.014 0.000 0.774 662 S HN 0.927 nan 8.310 nan 0.000 0.501 663 D N -0.178 120.224 120.400 0.004 0.000 2.312 663 D HA -0.122 4.520 4.640 0.004 0.000 0.211 663 D C 1.646 177.945 176.300 -0.002 0.000 0.964 663 D CA 0.682 54.683 54.000 0.002 0.000 0.877 663 D CB -0.232 40.569 40.800 0.001 0.000 0.924 663 D HN 0.396 nan 8.370 nan 0.000 0.515 664 Q N -0.033 119.763 119.800 -0.006 0.000 2.378 664 Q HA 0.248 4.590 4.340 0.004 0.000 0.216 664 Q C 0.783 176.776 176.000 -0.012 0.000 0.892 664 Q CA -0.160 55.635 55.803 -0.013 0.000 0.931 664 Q CB 0.938 29.664 28.738 -0.021 0.000 1.086 664 Q HN 0.382 nan 8.270 nan 0.000 0.528 665 L N 1.606 122.827 121.223 -0.003 0.000 2.499 665 L HA 0.027 4.369 4.340 0.004 0.000 0.273 665 L C 0.271 177.140 176.870 -0.003 0.000 1.195 665 L CA -0.232 54.609 54.840 0.001 0.000 0.882 665 L CB 0.599 42.667 42.059 0.016 0.000 1.133 665 L HN -0.192 nan 8.230 nan 0.000 0.483 666 V N 2.579 122.485 119.914 -0.014 0.000 2.071 666 V HA 0.055 4.178 4.120 0.004 0.000 0.254 666 V C 0.830 176.914 176.094 -0.017 0.000 1.456 666 V CA -0.433 61.855 62.300 -0.020 0.000 1.383 666 V CB -0.620 31.177 31.823 -0.043 0.000 1.433 666 V HN 0.903 nan 8.190 nan 0.000 0.499 667 T N 0.513 115.068 114.554 0.002 0.000 2.824 667 T HA 0.401 4.753 4.350 0.004 0.000 0.277 667 T C 0.138 174.829 174.700 -0.015 0.000 0.975 667 T CA -0.944 61.161 62.100 0.008 0.000 0.966 667 T CB 0.905 69.789 68.868 0.027 0.000 1.054 667 T HN 0.450 nan 8.240 nan 0.000 0.533 668 K N 0.699 121.059 120.400 -0.067 0.000 2.484 668 K HA 0.346 4.669 4.320 0.004 0.000 0.280 668 K C 1.341 177.953 176.600 0.020 0.000 1.013 668 K CA 0.848 57.041 56.287 -0.158 0.000 1.029 668 K CB 0.120 32.288 32.500 -0.554 0.000 0.902 668 K HN 1.007 nan 8.250 nan 0.000 0.481 669 G N 2.043 110.939 108.800 0.160 0.000 2.313 669 G HA2 -0.262 3.700 3.960 0.004 0.000 0.215 669 G HA3 -0.262 3.700 3.960 0.004 0.000 0.215 669 G C 0.840 175.802 174.900 0.104 0.000 1.023 669 G CA -0.359 44.845 45.100 0.173 0.000 0.626 669 G HN 0.585 nan 8.290 nan 0.000 0.503 670 Q N 0.421 120.261 119.800 0.068 0.000 2.435 670 Q HA -0.037 4.306 4.340 0.004 0.000 0.207 670 Q C 2.462 178.486 176.000 0.040 0.000 0.956 670 Q CA 1.477 57.304 55.803 0.041 0.000 0.917 670 Q CB -0.012 28.738 28.738 0.020 0.000 0.997 670 Q HN 0.870 nan 8.270 nan 0.000 0.497 671 Q N 1.088 120.925 119.800 0.061 0.000 2.451 671 Q HA 0.005 4.347 4.340 0.004 0.000 0.206 671 Q C -0.097 175.940 176.000 0.061 0.000 0.947 671 Q CA 0.293 56.131 55.803 0.058 0.000 0.937 671 Q CB -0.162 28.624 28.738 0.080 0.000 1.025 671 Q HN 0.091 nan 8.270 nan 0.000 0.511 672 K N 1.078 121.518 120.400 0.066 0.000 2.473 672 K HA 0.103 4.426 4.320 0.004 0.000 0.277 672 K C 0.729 177.349 176.600 0.034 0.000 1.052 672 K CA 0.922 57.240 56.287 0.051 0.000 1.114 672 K CB -0.202 32.327 32.500 0.048 0.000 0.869 672 K HN 0.493 nan 8.250 nan 0.000 0.481 673 G N 2.582 111.399 108.800 0.029 0.000 2.189 673 G HA2 -0.284 3.678 3.960 0.004 0.000 0.267 673 G HA3 -0.284 3.678 3.960 0.004 0.000 0.267 673 G C 0.615 175.531 174.900 0.027 0.000 0.975 673 G CA 0.242 45.354 45.100 0.021 0.000 0.644 673 G HN 0.594 nan 8.290 nan 0.000 0.537 674 L N 0.071 121.316 121.223 0.038 0.000 2.509 674 L HA 0.368 4.711 4.340 0.004 0.000 0.222 674 L C 2.161 179.081 176.870 0.083 0.000 1.123 674 L CA 0.802 55.670 54.840 0.045 0.000 0.856 674 L CB -0.194 41.883 42.059 0.029 0.000 0.985 674 L HN 1.040 nan 8.230 nan 0.000 0.456 675 G N 1.858 110.710 108.800 0.088 0.000 2.149 675 G HA2 -0.258 3.705 3.960 0.004 0.000 0.235 675 G HA3 -0.258 3.705 3.960 0.004 0.000 0.235 675 G C 0.070 175.101 174.900 0.218 0.000 1.018 675 G CA 0.462 45.647 45.100 0.142 0.000 0.728 675 G HN 0.465 nan 8.290 nan 0.000 0.508 676 I N -2.908 117.749 120.570 0.144 0.000 2.969 676 I HA 0.938 5.111 4.170 0.004 0.000 0.307 676 I C 0.284 176.479 176.117 0.129 0.000 1.149 676 I CA -0.976 60.416 61.300 0.153 0.000 1.008 676 I CB 2.175 40.233 38.000 0.098 0.000 1.232 676 I HN 0.281 nan 8.210 nan 0.000 0.435 677 G N 2.389 111.283 108.800 0.156 0.000 2.511 677 G HA2 0.692 4.654 3.960 0.004 0.000 0.318 677 G HA3 0.692 4.654 3.960 0.004 0.000 0.318 677 G C -0.876 174.067 174.900 0.071 0.000 1.210 677 G CA -0.742 44.421 45.100 0.104 0.000 0.969 677 G HN 1.024 nan 8.290 nan 0.000 0.484 678 V N -1.821 118.119 119.914 0.043 0.000 2.735 678 V HA 0.698 4.820 4.120 0.004 0.000 0.310 678 V C -0.600 175.456 176.094 -0.063 0.000 1.061 678 V CA -1.441 60.850 62.300 -0.016 0.000 0.913 678 V CB 1.365 33.193 31.823 0.008 0.000 1.005 678 V HN 0.501 nan 8.190 nan 0.000 0.428 679 F N 3.028 122.916 119.950 -0.104 0.000 2.608 679 F HA 0.241 4.770 4.527 0.004 0.000 0.380 679 F C 1.187 177.090 175.800 0.172 0.000 1.083 679 F CA 0.562 58.494 58.000 -0.113 0.000 1.266 679 F CB 0.280 39.061 39.000 -0.365 0.000 1.076 679 F HN 0.736 nan 8.300 nan 0.000 0.574 680 N N 3.843 122.869 118.700 0.544 0.000 2.767 680 N HA 0.008 4.751 4.740 0.004 0.000 0.238 680 N C 0.619 176.406 175.510 0.460 0.000 1.083 680 N CA -0.405 52.929 53.050 0.473 0.000 0.964 680 N CB 0.029 38.811 38.487 0.492 0.000 1.252 680 N HN 0.518 nan 8.380 nan 0.000 0.512 681 D N 1.892 122.535 120.400 0.406 0.000 2.310 681 D HA -0.115 4.527 4.640 0.004 0.000 0.212 681 D C 0.629 176.962 176.300 0.056 0.000 0.965 681 D CA 0.605 54.724 54.000 0.199 0.000 0.879 681 D CB 0.156 41.022 40.800 0.109 0.000 0.921 681 D HN 0.241 nan 8.370 nan 0.000 0.510 682 N N 0.963 119.722 118.700 0.099 0.000 2.080 682 N HA -0.072 4.670 4.740 0.004 0.000 0.189 682 N C 1.997 177.536 175.510 0.048 0.000 1.036 682 N CA 0.491 53.589 53.050 0.080 0.000 0.846 682 N CB -0.310 38.271 38.487 0.156 0.000 1.015 682 N HN 0.291 nan 8.380 nan 0.000 0.423 683 I N 0.973 121.589 120.570 0.078 0.000 2.315 683 I HA -0.203 3.970 4.170 0.004 0.000 0.248 683 I C 2.581 178.649 176.117 -0.081 0.000 1.117 683 I CA 0.806 62.111 61.300 0.007 0.000 1.404 683 I CB 0.048 38.072 38.000 0.039 0.000 1.071 683 I HN 0.100 nan 8.210 nan 0.000 0.419 684 R N 0.845 121.254 120.500 -0.151 0.000 2.080 684 R HA -0.221 4.121 4.340 0.004 0.000 0.236 684 R C 1.987 178.174 176.300 -0.189 0.000 1.137 684 R CA 2.095 58.010 56.100 -0.308 0.000 0.943 684 R CB -0.314 29.636 30.300 -0.582 0.000 0.846 684 R HN 0.419 nan 8.270 nan 0.000 0.431 685 N N -0.199 118.425 118.700 -0.128 0.000 2.166 685 N HA -0.103 4.639 4.740 0.004 0.000 0.186 685 N C 1.689 177.166 175.510 -0.055 0.000 1.019 685 N CA 1.423 54.422 53.050 -0.085 0.000 0.856 685 N CB -0.592 37.858 38.487 -0.062 0.000 0.993 685 N HN 0.421 nan 8.380 nan 0.000 0.426 686 G N 0.935 109.707 108.800 -0.046 0.000 2.432 686 G HA2 -0.144 3.818 3.960 0.004 0.000 0.219 686 G HA3 -0.144 3.818 3.960 0.004 0.000 0.219 686 G C 1.695 176.597 174.900 0.004 0.000 1.135 686 G CA 0.318 45.403 45.100 -0.025 0.000 0.767 686 G HN 0.228 nan 8.290 nan 0.000 0.550 687 L N 0.598 121.800 121.223 -0.035 0.000 2.095 687 L HA 0.088 4.431 4.340 0.004 0.000 0.204 687 L C 1.879 178.740 176.870 -0.015 0.000 1.080 687 L CA 1.522 56.355 54.840 -0.012 0.000 0.759 687 L CB 0.001 42.002 42.059 -0.096 0.000 0.914 687 L HN 0.379 nan 8.230 nan 0.000 0.439 688 D N -1.875 118.492 120.400 -0.056 0.000 2.556 688 D HA 0.258 4.901 4.640 0.004 0.000 0.237 688 D C 0.511 176.776 176.300 -0.059 0.000 1.296 688 D CA 0.405 54.368 54.000 -0.060 0.000 0.807 688 D CB 0.566 41.318 40.800 -0.080 0.000 1.084 688 D HN 0.159 nan 8.370 nan 0.000 0.510 689 G N 0.608 109.379 108.800 -0.048 0.000 2.629 689 G HA2 -0.155 3.808 3.960 0.004 0.000 0.686 689 G HA3 -0.155 3.808 3.960 0.004 0.000 0.686 689 G C -0.752 174.118 174.900 -0.049 0.000 1.232 689 G CA -0.651 44.423 45.100 -0.042 0.000 0.803 689 G HN 0.428 nan 8.290 nan 0.000 0.638 690 N N -0.865 117.817 118.700 -0.029 0.000 2.412 690 N HA 0.214 4.956 4.740 0.004 0.000 0.254 690 N C 1.596 177.090 175.510 -0.026 0.000 1.232 690 N CA 0.718 53.757 53.050 -0.018 0.000 0.880 690 N CB 1.447 39.952 38.487 0.029 0.000 1.076 690 N HN 1.188 nan 8.380 nan 0.000 0.458 691 V N 4.831 124.722 119.914 -0.039 0.000 2.594 691 V HA -0.167 3.955 4.120 0.004 0.000 0.253 691 V C 1.480 177.569 176.094 -0.008 0.000 1.069 691 V CA 1.766 64.035 62.300 -0.051 0.000 1.082 691 V CB -1.034 30.732 31.823 -0.095 0.000 0.680 691 V HN 0.801 nan 8.190 nan 0.000 0.469 692 F N 1.028 120.924 119.950 -0.089 0.000 2.293 692 F HA 0.037 4.567 4.527 0.004 0.000 0.300 692 F C 1.049 176.815 175.800 -0.057 0.000 1.086 692 F CA 1.327 59.284 58.000 -0.072 0.000 1.375 692 F CB 0.093 39.051 39.000 -0.070 0.000 1.045 692 F HN 0.285 nan 8.300 nan 0.000 0.516 693 D N 0.940 121.139 120.400 -0.336 0.000 2.427 693 D HA 0.136 4.778 4.640 0.004 0.000 0.226 693 D C 0.669 176.823 176.300 -0.244 0.000 1.076 693 D CA -0.206 53.549 54.000 -0.408 0.000 0.849 693 D CB 1.143 41.822 40.800 -0.200 0.000 1.052 693 D HN 0.143 nan 8.370 nan 0.000 0.515 694 K N 0.985 121.231 120.400 -0.256 0.000 2.152 694 K HA -0.115 4.207 4.320 0.004 0.000 0.206 694 K C 1.538 178.056 176.600 -0.138 0.000 1.048 694 K CA 1.602 57.788 56.287 -0.168 0.000 0.933 694 K CB 0.116 32.524 32.500 -0.154 0.000 0.721 694 K HN 0.506 nan 8.250 nan 0.000 0.447 695 T N -2.002 112.468 114.554 -0.141 0.000 3.107 695 T HA 0.282 4.635 4.350 0.004 0.000 0.249 695 T C 0.587 175.231 174.700 -0.093 0.000 1.096 695 T CA -0.232 61.802 62.100 -0.110 0.000 1.012 695 T CB 0.173 68.980 68.868 -0.101 0.000 0.977 695 T HN 0.083 nan 8.240 nan 0.000 0.527 696 A N 1.505 124.269 122.820 -0.093 0.000 2.511 696 A HA 0.411 4.733 4.320 0.004 0.000 0.242 696 A C 0.286 177.832 177.584 -0.063 0.000 1.069 696 A CA -0.287 51.710 52.037 -0.067 0.000 0.763 696 A CB 0.108 19.075 19.000 -0.056 0.000 1.001 696 A HN 0.635 nan 8.150 nan 0.000 0.498 697 Q N 0.195 119.965 119.800 -0.050 0.000 2.204 697 Q HA 0.630 4.972 4.340 0.004 0.000 0.254 697 Q C 0.505 176.487 176.000 -0.030 0.000 0.981 697 Q CA -0.085 55.689 55.803 -0.048 0.000 0.897 697 Q CB 1.932 30.640 28.738 -0.051 0.000 1.273 697 Q HN 0.912 nan 8.270 nan 0.000 0.464 698 G N -0.649 108.137 108.800 -0.023 0.000 3.135 698 G HA2 0.218 4.180 3.960 0.004 0.000 0.278 698 G HA3 0.218 4.180 3.960 0.004 0.000 0.278 698 G C -0.523 174.408 174.900 0.050 0.000 1.302 698 G CA -0.586 44.525 45.100 0.018 0.000 0.880 698 G HN 0.627 nan 8.290 nan 0.000 0.574 699 F N 1.284 121.201 119.950 -0.054 0.000 2.091 699 F HA -0.098 4.431 4.527 0.004 0.000 0.299 699 F C 2.640 178.413 175.800 -0.045 0.000 1.103 699 F CA 2.653 60.627 58.000 -0.043 0.000 1.228 699 F CB -0.108 38.862 39.000 -0.049 0.000 0.984 699 F HN 0.330 nan 8.300 nan 0.000 0.477 700 A N -1.216 121.572 122.820 -0.052 0.000 2.119 700 A HA -0.043 4.279 4.320 0.004 0.000 0.217 700 A C 1.760 179.253 177.584 -0.152 0.000 1.153 700 A CA 1.721 53.669 52.037 -0.147 0.000 0.692 700 A CB -1.095 17.875 19.000 -0.051 0.000 0.799 700 A HN 0.494 nan 8.150 nan 0.000 0.458 701 T N -6.357 108.125 114.554 -0.119 0.000 3.170 701 T HA 0.496 4.848 4.350 0.004 0.000 0.288 701 T C 0.973 175.616 174.700 -0.094 0.000 0.992 701 T CA 0.924 62.966 62.100 -0.097 0.000 0.909 701 T CB 0.574 69.395 68.868 -0.078 0.000 1.133 701 T HN 1.421 nan 8.240 nan 0.000 0.530 702 G N 1.090 109.824 108.800 -0.110 0.000 2.367 702 G HA2 -0.140 3.822 3.960 0.004 0.000 0.181 702 G HA3 -0.140 3.822 3.960 0.004 0.000 0.181 702 G C -0.332 174.531 174.900 -0.062 0.000 1.000 702 G CA -0.181 44.865 45.100 -0.090 0.000 0.693 702 G HN 0.601 nan 8.290 nan 0.000 0.480 703 D N 1.943 122.318 120.400 -0.041 0.000 2.390 703 D HA 0.301 4.943 4.640 0.004 0.000 0.249 703 D C -1.149 175.160 176.300 0.015 0.000 1.144 703 D CA -0.665 53.330 54.000 -0.008 0.000 0.880 703 D CB 1.873 42.679 40.800 0.009 0.000 1.182 703 D HN 0.203 nan 8.370 nan 0.000 0.451 704 P HA 0.121 nan 4.420 nan 0.000 0.261 704 P C -0.026 177.312 177.300 0.063 0.000 1.268 704 P CA -0.010 63.112 63.100 0.037 0.000 0.833 704 P CB 0.499 32.208 31.700 0.015 0.000 1.231 705 N N 0.208 118.944 118.700 0.059 0.000 2.273 705 N HA 0.072 4.815 4.740 0.004 0.000 0.231 705 N C 0.856 176.396 175.510 0.050 0.000 1.134 705 N CA 0.126 53.203 53.050 0.045 0.000 0.856 705 N CB 0.493 38.994 38.487 0.024 0.000 1.068 705 N HN 0.142 nan 8.380 nan 0.000 0.510 706 Q N -0.167 119.691 119.800 0.097 0.000 2.247 706 Q HA 0.222 4.564 4.340 0.004 0.000 0.211 706 Q C 1.805 177.792 176.000 -0.023 0.000 0.861 706 Q CA -0.067 55.774 55.803 0.062 0.000 0.949 706 Q CB 0.420 29.230 28.738 0.120 0.000 1.115 706 Q HN 0.068 nan 8.270 nan 0.000 0.507 707 V N 1.576 121.495 119.914 0.009 0.000 2.287 707 V HA -0.272 3.851 4.120 0.004 0.000 0.248 707 V C 1.630 177.620 176.094 -0.173 0.000 1.053 707 V CA 2.249 64.495 62.300 -0.091 0.000 1.027 707 V CB -0.264 31.560 31.823 0.001 0.000 0.646 707 V HN 0.273 nan 8.190 nan 0.000 0.447 708 D N -0.263 120.064 120.400 -0.123 0.000 2.144 708 D HA -0.119 4.523 4.640 0.004 0.000 0.199 708 D C 2.179 178.402 176.300 -0.129 0.000 0.984 708 D CA 1.179 55.094 54.000 -0.141 0.000 0.834 708 D CB -0.313 40.432 40.800 -0.091 0.000 0.955 708 D HN 0.323 nan 8.370 nan 0.000 0.465 709 V N 1.591 121.446 119.914 -0.099 0.000 2.295 709 V HA -0.221 3.901 4.120 0.004 0.000 0.246 709 V C 2.431 178.455 176.094 -0.116 0.000 1.049 709 V CA 1.019 63.273 62.300 -0.076 0.000 1.024 709 V CB -0.217 31.575 31.823 -0.050 0.000 0.648 709 V HN 0.174 nan 8.190 nan 0.000 0.447 710 I N -0.075 120.368 120.570 -0.211 0.000 2.252 710 I HA -0.198 3.974 4.170 0.004 0.000 0.245 710 I C 2.392 178.418 176.117 -0.151 0.000 1.102 710 I CA 1.593 62.730 61.300 -0.273 0.000 1.385 710 I CB -1.251 36.358 38.000 -0.650 0.000 1.064 710 I HN 0.363 nan 8.210 nan 0.000 0.414 711 K N 0.606 120.884 120.400 -0.204 0.000 2.063 711 K HA -0.174 4.148 4.320 0.004 0.000 0.208 711 K C 1.897 178.478 176.600 -0.032 0.000 1.048 711 K CA 1.295 57.447 56.287 -0.225 0.000 0.928 711 K CB -0.175 31.913 32.500 -0.686 0.000 0.713 711 K HN 0.345 nan 8.250 nan 0.000 0.442 712 N N 0.249 118.906 118.700 -0.070 0.000 2.166 712 N HA -0.110 4.632 4.740 0.004 0.000 0.186 712 N C 1.917 177.416 175.510 -0.018 0.000 1.019 712 N CA 1.354 54.388 53.050 -0.027 0.000 0.856 712 N CB -0.158 38.313 38.487 -0.025 0.000 0.993 712 N HN 0.319 nan 8.380 nan 0.000 0.426 713 G N 0.754 109.546 108.800 -0.014 0.000 2.403 713 G HA2 -0.129 3.833 3.960 0.004 0.000 0.216 713 G HA3 -0.129 3.833 3.960 0.004 0.000 0.216 713 G C 1.748 176.647 174.900 -0.001 0.000 1.154 713 G CA 0.310 45.408 45.100 -0.003 0.000 0.784 713 G HN 0.138 nan 8.290 nan 0.000 0.538 714 V N 2.170 122.094 119.914 0.017 0.000 2.392 714 V HA -0.168 3.954 4.120 0.004 0.000 0.249 714 V C 2.471 178.496 176.094 -0.115 0.000 1.059 714 V CA 1.777 64.055 62.300 -0.038 0.000 1.051 714 V CB -0.403 31.388 31.823 -0.053 0.000 0.658 714 V HN 0.650 nan 8.190 nan 0.000 0.455 715 I N -1.232 119.311 120.570 -0.046 0.000 3.752 715 I HA 0.448 4.620 4.170 0.004 0.000 0.313 715 I C 1.245 177.316 176.117 -0.077 0.000 1.304 715 I CA 0.609 61.862 61.300 -0.078 0.000 1.171 715 I CB -0.823 37.168 38.000 -0.014 0.000 1.038 715 I HN 0.290 nan 8.210 nan 0.000 0.427 716 G N 1.255 110.013 108.800 -0.071 0.000 2.198 716 G HA2 -0.333 3.630 3.960 0.004 0.000 0.260 716 G HA3 -0.333 3.630 3.960 0.004 0.000 0.260 716 G C 0.576 175.372 174.900 -0.173 0.000 1.025 716 G CA 0.267 45.315 45.100 -0.086 0.000 0.769 716 G HN 0.614 nan 8.290 nan 0.000 0.507 717 S N -2.241 113.339 115.700 -0.200 0.000 3.382 717 S HA -0.347 4.126 4.470 0.004 0.000 0.293 717 S C 1.759 176.144 174.600 -0.358 0.000 1.262 717 S CA 1.679 59.654 58.200 -0.375 0.000 0.969 717 S CB -1.918 60.789 63.200 -0.820 0.000 1.136 717 S HN 1.903 nan 8.310 nan 0.000 0.635 718 I N -1.489 118.961 120.570 -0.201 0.000 2.916 718 I HA -0.046 4.126 4.170 0.004 0.000 0.267 718 I C 1.475 177.536 176.117 -0.094 0.000 1.263 718 I CA 1.268 62.484 61.300 -0.140 0.000 1.471 718 I CB -0.293 37.654 38.000 -0.088 0.000 1.089 718 I HN 0.316 nan 8.210 nan 0.000 0.468 719 Q N 0.278 120.029 119.800 -0.083 0.000 2.194 719 Q HA 0.058 4.401 4.340 0.004 0.000 0.214 719 Q C 0.583 176.568 176.000 -0.026 0.000 0.838 719 Q CA -0.028 55.752 55.803 -0.038 0.000 0.972 719 Q CB 0.513 29.241 28.738 -0.016 0.000 1.131 719 Q HN 0.518 nan 8.270 nan 0.000 0.498 720 D N -0.186 120.176 120.400 -0.064 0.000 3.234 720 D HA 0.009 4.651 4.640 0.004 0.000 0.281 720 D C 0.584 176.961 176.300 0.127 0.000 1.405 720 D CA 0.561 54.580 54.000 0.032 0.000 1.115 720 D CB 0.417 41.241 40.800 0.041 0.000 1.198 720 D HN 0.188 nan 8.370 nan 0.000 0.388 721 F N -0.531 119.435 119.950 0.027 0.000 3.031 721 F HA 0.394 4.924 4.527 0.004 0.000 0.365 721 F C -0.264 175.551 175.800 0.026 0.000 1.128 721 F CA -0.322 57.695 58.000 0.030 0.000 1.068 721 F CB -0.387 38.638 39.000 0.042 0.000 1.280 721 F HN -0.100 nan 8.300 nan 0.000 0.529 722 T N -2.184 112.182 114.554 -0.312 0.000 2.940 722 T HA 0.521 4.873 4.350 0.004 0.000 0.288 722 T C 0.513 175.162 174.700 -0.085 0.000 1.033 722 T CA -0.196 61.802 62.100 -0.171 0.000 1.033 722 T CB 1.951 70.654 68.868 -0.275 0.000 1.079 722 T HN 0.035 nan 8.240 nan 0.000 0.496 723 S N 0.463 116.142 115.700 -0.035 0.000 2.503 723 S HA 0.572 5.044 4.470 0.004 0.000 0.215 723 S C 0.616 175.195 174.600 -0.035 0.000 1.003 723 S CA 0.040 58.224 58.200 -0.026 0.000 0.910 723 S CB 0.016 63.214 63.200 -0.004 0.000 0.790 723 S HN 1.145 nan 8.310 nan 0.000 0.514 724 A N 1.370 124.165 122.820 -0.042 0.000 2.574 724 A HA 0.638 4.961 4.320 0.004 0.000 0.297 724 A C -2.513 175.041 177.584 -0.050 0.000 1.062 724 A CA -1.287 50.727 52.037 -0.039 0.000 0.686 724 A CB 0.834 19.821 19.000 -0.023 0.000 1.285 724 A HN -0.043 nan 8.150 nan 0.000 0.403 725 P HA -0.126 nan 4.420 nan 0.000 0.223 725 P C 1.344 178.629 177.300 -0.025 0.000 1.151 725 P CA 1.864 64.936 63.100 -0.047 0.000 0.787 725 P CB -0.010 31.671 31.700 -0.031 0.000 0.788 726 S N 0.061 115.753 115.700 -0.013 0.000 2.465 726 S HA -0.144 4.329 4.470 0.004 0.000 0.241 726 S C 1.634 176.241 174.600 0.012 0.000 1.000 726 S CA 0.917 59.117 58.200 0.000 0.000 0.964 726 S CB -1.081 62.123 63.200 0.007 0.000 0.763 726 S HN 0.295 nan 8.310 nan 0.000 0.512 727 E N 0.753 120.961 120.200 0.013 0.000 2.478 727 E HA 0.078 4.431 4.350 0.004 0.000 0.194 727 E C 0.338 176.994 176.600 0.093 0.000 1.045 727 E CA 0.331 56.763 56.400 0.053 0.000 0.868 727 E CB 0.261 29.996 29.700 0.059 0.000 0.885 727 E HN 0.421 nan 8.360 nan 0.000 0.505 728 T N 1.018 115.598 114.554 0.044 0.000 2.779 728 T HA 0.321 4.673 4.350 0.004 0.000 0.280 728 T C -0.627 174.085 174.700 0.021 0.000 0.987 728 T CA -0.822 61.343 62.100 0.109 0.000 0.966 728 T CB 0.495 69.401 68.868 0.062 0.000 0.933 728 T HN -0.094 nan 8.240 nan 0.000 0.442 729 I N 5.679 126.224 120.570 -0.043 0.000 2.291 729 I HA 0.324 4.496 4.170 0.004 0.000 0.290 729 I C 0.306 176.482 176.117 0.097 0.000 1.050 729 I CA -0.842 60.351 61.300 -0.177 0.000 1.245 729 I CB 0.095 37.654 38.000 -0.734 0.000 1.405 729 I HN 0.563 nan 8.210 nan 0.000 0.478 730 N N 7.628 126.433 118.700 0.175 0.000 2.488 730 N HA 0.452 5.194 4.740 0.004 0.000 0.274 730 N C -0.587 175.175 175.510 0.420 0.000 1.111 730 N CA -0.032 53.181 53.050 0.272 0.000 0.974 730 N CB 1.554 40.134 38.487 0.154 0.000 1.089 730 N HN 0.543 nan 8.380 nan 0.000 0.465 731 Y N -2.195 118.193 120.300 0.147 0.000 2.713 731 Y HA 0.451 5.003 4.550 0.004 0.000 0.335 731 Y C -0.507 175.435 175.900 0.069 0.000 1.222 731 Y CA -1.105 57.107 58.100 0.186 0.000 1.061 731 Y CB 0.194 38.883 38.460 0.382 0.000 1.314 731 Y HN 0.076 nan 8.280 nan 0.000 0.453 732 V N 0.495 120.329 119.914 -0.134 0.000 3.371 732 V HA 0.330 4.452 4.120 0.004 0.000 0.246 732 V C 0.088 176.070 176.094 -0.186 0.000 1.303 732 V CA 1.608 63.723 62.300 -0.309 0.000 1.156 732 V CB 0.535 32.159 31.823 -0.332 0.000 0.929 732 V HN 1.255 nan 8.190 nan 0.000 0.459 733 T N -1.127 113.498 114.554 0.119 0.000 2.841 733 T HA 0.772 5.124 4.350 0.004 0.000 0.296 733 T C -0.414 174.583 174.700 0.496 0.000 1.166 733 T CA 0.158 62.394 62.100 0.227 0.000 1.007 733 T CB 2.037 71.010 68.868 0.175 0.000 1.253 733 T HN 0.712 nan 8.240 nan 0.000 0.511 734 S N -0.674 115.222 115.700 0.327 0.000 2.752 734 S HA 0.383 4.855 4.470 0.004 0.000 0.284 734 S C 0.848 175.497 174.600 0.081 0.000 1.189 734 S CA -0.120 58.250 58.200 0.284 0.000 0.835 734 S CB 0.360 63.589 63.200 0.048 0.000 1.192 734 S HN 1.279 nan 8.310 nan 0.000 0.506 735 H N -0.199 118.888 119.070 0.029 0.000 2.456 735 H HA 0.205 4.763 4.556 0.004 0.000 0.296 735 H C 0.039 175.311 175.328 -0.095 0.000 1.079 735 H CA 1.300 57.272 56.048 -0.126 0.000 1.322 735 H CB -0.453 29.014 29.762 -0.491 0.000 1.388 735 H HN 0.480 nan 8.280 nan 0.000 0.538 736 D N 1.383 121.411 120.400 -0.621 0.000 2.339 736 D HA 0.048 4.690 4.640 0.004 0.000 0.245 736 D C 0.390 176.708 176.300 0.030 0.000 1.115 736 D CA 0.048 53.934 54.000 -0.189 0.000 0.917 736 D CB 0.645 41.270 40.800 -0.291 0.000 1.192 736 D HN 0.401 nan 8.370 nan 0.000 0.428 737 N N -0.417 118.357 118.700 0.123 0.000 1.387 737 N HA -0.251 4.492 4.740 0.004 0.000 0.119 737 N C -0.173 175.397 175.510 0.101 0.000 0.852 737 N CA 0.534 53.634 53.050 0.082 0.000 0.874 737 N CB -0.693 37.804 38.487 0.017 0.000 0.970 737 N HN 0.456 nan 8.380 nan 0.000 0.642 738 M N 1.250 120.885 119.600 0.058 0.000 2.409 738 M HA 0.230 4.713 4.480 0.004 0.000 0.329 738 M C 0.820 177.166 176.300 0.076 0.000 1.180 738 M CA -0.518 54.818 55.300 0.060 0.000 1.053 738 M CB 1.529 34.139 32.600 0.017 0.000 1.586 738 M HN 0.688 nan 8.290 nan 0.000 0.461 739 T N -0.533 114.074 114.554 0.090 0.000 2.856 739 T HA 0.094 4.447 4.350 0.004 0.000 0.306 739 T C 0.837 175.603 174.700 0.109 0.000 1.062 739 T CA -0.695 61.468 62.100 0.106 0.000 1.083 739 T CB 0.722 69.651 68.868 0.101 0.000 0.984 739 T HN 0.597 nan 8.240 nan 0.000 0.542 740 L N 1.360 122.675 121.223 0.154 0.000 2.083 740 L HA 0.085 4.428 4.340 0.004 0.000 0.209 740 L C 2.188 179.158 176.870 0.166 0.000 1.083 740 L CA 1.448 56.381 54.840 0.155 0.000 0.752 740 L CB -1.129 41.078 42.059 0.247 0.000 0.899 740 L HN 0.864 nan 8.230 nan 0.000 0.433 741 W N 0.240 121.527 121.300 -0.022 0.000 2.355 741 W HA -0.253 4.409 4.660 0.004 0.000 0.309 741 W C 1.866 178.353 176.519 -0.054 0.000 1.206 741 W CA 1.555 58.859 57.345 -0.068 0.000 1.284 741 W CB 0.037 29.420 29.460 -0.129 0.000 1.145 741 W HN 0.251 nan 8.180 nan 0.000 0.502 742 D N 0.325 120.727 120.400 0.004 0.000 2.117 742 D HA -0.189 4.453 4.640 0.004 0.000 0.198 742 D C 1.871 178.095 176.300 -0.127 0.000 0.982 742 D CA 1.704 55.650 54.000 -0.090 0.000 0.828 742 D CB -0.454 40.345 40.800 -0.001 0.000 0.967 742 D HN 0.040 nan 8.370 nan 0.000 0.464 743 K N 1.079 121.434 120.400 -0.075 0.000 2.057 743 K HA -0.058 4.264 4.320 0.004 0.000 0.207 743 K C 1.922 178.443 176.600 -0.132 0.000 1.049 743 K CA 1.045 57.281 56.287 -0.084 0.000 0.931 743 K CB -0.553 31.918 32.500 -0.047 0.000 0.714 743 K HN 0.150 nan 8.250 nan 0.000 0.440 744 I N 0.334 120.804 120.570 -0.167 0.000 2.439 744 I HA -0.200 3.973 4.170 0.004 0.000 0.251 744 I C 2.112 178.052 176.117 -0.294 0.000 1.139 744 I CA 0.712 61.885 61.300 -0.212 0.000 1.438 744 I CB -0.158 37.719 38.000 -0.205 0.000 1.085 744 I HN 0.122 nan 8.210 nan 0.000 0.427 745 L N 0.585 121.570 121.223 -0.397 0.000 2.079 745 L HA -0.232 4.111 4.340 0.004 0.000 0.210 745 L C 2.789 179.529 176.870 -0.217 0.000 1.081 745 L CA 1.468 56.094 54.840 -0.357 0.000 0.752 745 L CB -0.515 41.310 42.059 -0.390 0.000 0.896 745 L HN 0.257 nan 8.230 nan 0.000 0.433 746 A N -0.596 122.117 122.820 -0.179 0.000 1.897 746 A HA -0.173 4.149 4.320 0.004 0.000 0.215 746 A C 2.444 179.954 177.584 -0.124 0.000 1.181 746 A CA 1.801 53.757 52.037 -0.134 0.000 0.620 746 A CB -0.506 18.424 19.000 -0.117 0.000 0.821 746 A HN 0.507 nan 8.150 nan 0.000 0.443 747 S N -1.045 114.579 115.700 -0.127 0.000 2.478 747 S HA 0.070 4.543 4.470 0.004 0.000 0.222 747 S C 0.404 174.940 174.600 -0.105 0.000 1.008 747 S CA 0.619 58.754 58.200 -0.108 0.000 0.928 747 S CB -0.236 62.904 63.200 -0.100 0.000 0.781 747 S HN 0.472 nan 8.310 nan 0.000 0.518 748 N N 1.791 120.415 118.700 -0.127 0.000 2.642 748 N HA 0.326 5.069 4.740 0.004 0.000 0.308 748 N C -2.354 173.078 175.510 -0.130 0.000 1.914 748 N CA -1.353 51.625 53.050 -0.119 0.000 0.893 748 N CB 1.482 39.895 38.487 -0.124 0.000 1.322 748 N HN 0.246 nan 8.380 nan 0.000 0.490 749 P HA -0.070 nan 4.420 nan 0.000 0.220 749 P C 0.579 177.826 177.300 -0.088 0.000 1.148 749 P CA 1.156 64.189 63.100 -0.112 0.000 0.803 749 P CB 0.407 32.052 31.700 -0.092 0.000 0.782 750 S N -0.920 114.737 115.700 -0.073 0.000 2.558 750 S HA 0.031 4.504 4.470 0.004 0.000 0.217 750 S C 0.771 175.341 174.600 -0.050 0.000 0.975 750 S CA 0.140 58.308 58.200 -0.054 0.000 0.912 750 S CB -0.392 62.781 63.200 -0.045 0.000 0.776 750 S HN 0.223 nan 8.310 nan 0.000 0.526 751 D N 2.848 123.210 120.400 -0.064 0.000 2.313 751 D HA 0.191 4.834 4.640 0.004 0.000 0.247 751 D C 0.606 176.882 176.300 -0.041 0.000 1.094 751 D CA 0.192 54.161 54.000 -0.052 0.000 0.925 751 D CB 1.205 41.967 40.800 -0.064 0.000 1.188 751 D HN 0.256 nan 8.370 nan 0.000 0.430 752 T N -1.649 112.898 114.554 -0.012 0.000 2.802 752 T HA 0.012 4.364 4.350 0.004 0.000 0.305 752 T C 1.184 175.910 174.700 0.044 0.000 1.053 752 T CA -0.386 61.724 62.100 0.017 0.000 1.058 752 T CB 1.256 70.142 68.868 0.030 0.000 0.988 752 T HN 0.409 nan 8.240 nan 0.000 0.539 753 E N 0.696 120.955 120.200 0.098 0.000 2.110 753 E HA -0.105 4.247 4.350 0.004 0.000 0.193 753 E C 2.382 179.118 176.600 0.226 0.000 0.988 753 E CA 1.040 57.567 56.400 0.211 0.000 0.804 753 E CB -0.546 29.322 29.700 0.280 0.000 0.745 753 E HN 0.819 nan 8.360 nan 0.000 0.458 754 A N 1.195 124.102 122.820 0.145 0.000 1.902 754 A HA -0.224 4.098 4.320 0.004 0.000 0.217 754 A C 1.796 179.434 177.584 0.091 0.000 1.181 754 A CA 1.939 54.044 52.037 0.115 0.000 0.623 754 A CB -0.471 18.576 19.000 0.078 0.000 0.818 754 A HN 0.232 nan 8.150 nan 0.000 0.443 755 D N -0.738 119.701 120.400 0.065 0.000 2.149 755 D HA -0.069 4.573 4.640 0.004 0.000 0.201 755 D C 2.213 178.540 176.300 0.045 0.000 0.972 755 D CA 0.891 54.912 54.000 0.035 0.000 0.835 755 D CB -0.316 40.488 40.800 0.006 0.000 0.966 755 D HN 0.428 nan 8.370 nan 0.000 0.476 756 R N 0.183 120.721 120.500 0.063 0.000 2.096 756 R HA -0.012 4.330 4.340 0.004 0.000 0.235 756 R C 2.470 178.933 176.300 0.271 0.000 1.127 756 R CA 0.578 56.712 56.100 0.057 0.000 0.968 756 R CB -0.206 29.996 30.300 -0.163 0.000 0.861 756 R HN 0.241 nan 8.270 nan 0.000 0.440 757 I N 1.095 121.868 120.570 0.340 0.000 2.179 757 I HA -0.313 3.860 4.170 0.004 0.000 0.242 757 I C 2.121 178.296 176.117 0.096 0.000 1.088 757 I CA 1.517 62.949 61.300 0.221 0.000 1.357 757 I CB -0.202 37.849 38.000 0.084 0.000 1.051 757 I HN 0.136 nan 8.210 nan 0.000 0.409 758 K N 0.346 120.774 120.400 0.046 0.000 2.063 758 K HA -0.172 4.150 4.320 0.004 0.000 0.208 758 K C 2.141 178.737 176.600 -0.007 0.000 1.048 758 K CA 1.512 57.786 56.287 -0.022 0.000 0.928 758 K CB -0.189 32.300 32.500 -0.019 0.000 0.713 758 K HN 0.290 nan 8.250 nan 0.000 0.442 759 M N 0.858 120.471 119.600 0.022 0.000 2.117 759 M HA -0.187 4.295 4.480 0.004 0.000 0.262 759 M C 2.081 178.412 176.300 0.052 0.000 1.065 759 M CA 1.374 56.678 55.300 0.007 0.000 1.114 759 M CB -0.327 32.265 32.600 -0.014 0.000 1.361 759 M HN 0.160 nan 8.290 nan 0.000 0.408 760 D N 0.679 121.162 120.400 0.137 0.000 2.084 760 D HA -0.176 4.466 4.640 0.004 0.000 0.194 760 D C 1.689 178.152 176.300 0.272 0.000 0.990 760 D CA 1.527 55.677 54.000 0.250 0.000 0.826 760 D CB -0.032 40.981 40.800 0.355 0.000 0.971 760 D HN 0.418 nan 8.370 nan 0.000 0.453 761 E N -0.194 120.099 120.200 0.154 0.000 2.085 761 E HA -0.191 4.161 4.350 0.004 0.000 0.194 761 E C 2.153 178.780 176.600 0.046 0.000 0.994 761 E CA 0.551 56.972 56.400 0.035 0.000 0.801 761 E CB -0.132 29.381 29.700 -0.313 0.000 0.743 761 E HN 0.187 nan 8.360 nan 0.000 0.453 762 L N 0.991 122.228 121.223 0.023 0.000 2.046 762 L HA -0.145 4.197 4.340 0.004 0.000 0.208 762 L C 2.193 179.046 176.870 -0.029 0.000 1.077 762 L CA 2.071 56.932 54.840 0.034 0.000 0.747 762 L CB -0.717 41.346 42.059 0.008 0.000 0.896 762 L HN 0.048 nan 8.230 nan 0.000 0.432 763 A N -1.310 121.478 122.820 -0.053 0.000 1.883 763 A HA -0.255 4.067 4.320 0.004 0.000 0.217 763 A C 2.234 179.638 177.584 -0.300 0.000 1.186 763 A CA 1.871 53.812 52.037 -0.160 0.000 0.624 763 A CB -1.025 17.869 19.000 -0.177 0.000 0.822 763 A HN 0.700 nan 8.150 nan 0.000 0.444 764 H N -0.714 118.208 119.070 -0.247 0.000 2.423 764 H HA 0.019 4.577 4.556 0.004 0.000 0.297 764 H C 2.538 177.531 175.328 -0.557 0.000 1.075 764 H CA 1.181 56.896 56.048 -0.556 0.000 1.342 764 H CB -0.266 29.047 29.762 -0.749 0.000 1.395 764 H HN 0.557 nan 8.280 nan 0.000 0.530 765 A N 0.915 123.692 122.820 -0.072 0.000 1.902 765 A HA -0.121 4.201 4.320 0.004 0.000 0.217 765 A C 2.795 180.410 177.584 0.051 0.000 1.181 765 A CA 1.472 53.578 52.037 0.115 0.000 0.623 765 A CB -0.836 18.324 19.000 0.265 0.000 0.818 765 A HN 0.188 nan 8.150 nan 0.000 0.443 766 V N -0.333 119.469 119.914 -0.185 0.000 2.287 766 V HA -0.257 3.865 4.120 0.004 0.000 0.248 766 V C 2.570 178.605 176.094 -0.099 0.000 1.053 766 V CA 2.060 64.172 62.300 -0.314 0.000 1.027 766 V CB -0.957 30.555 31.823 -0.519 0.000 0.646 766 V HN 0.375 nan 8.190 nan 0.000 0.447 767 V N -0.550 119.235 119.914 -0.215 0.000 2.287 767 V HA -0.255 3.867 4.120 0.004 0.000 0.248 767 V C 2.198 178.268 176.094 -0.040 0.000 1.053 767 V CA 2.176 64.365 62.300 -0.185 0.000 1.027 767 V CB -0.785 30.829 31.823 -0.348 0.000 0.646 767 V HN 0.475 nan 8.190 nan 0.000 0.447 768 F N 0.887 120.859 119.950 0.038 0.000 2.558 768 F HA -0.017 4.512 4.527 0.004 0.000 0.298 768 F C 2.302 178.069 175.800 -0.055 0.000 1.119 768 F CA 1.294 59.288 58.000 -0.012 0.000 1.451 768 F CB -1.192 37.766 39.000 -0.071 0.000 1.091 768 F HN 0.352 nan 8.300 nan 0.000 0.563 769 T N -4.835 109.849 114.554 0.216 0.000 3.044 769 T HA 0.220 4.572 4.350 0.004 0.000 0.260 769 T C 0.717 175.701 174.700 0.474 0.000 1.019 769 T CA -0.104 62.145 62.100 0.248 0.000 0.921 769 T CB -0.203 68.892 68.868 0.379 0.000 1.053 769 T HN -0.092 nan 8.240 nan 0.000 0.533 770 S N 2.590 118.473 115.700 0.305 0.000 2.586 770 S HA 0.354 4.826 4.470 0.004 0.000 0.274 770 S C 0.207 174.901 174.600 0.158 0.000 1.281 770 S CA -0.786 57.530 58.200 0.193 0.000 1.035 770 S CB 0.788 64.057 63.200 0.114 0.000 0.962 770 S HN 0.356 nan 8.310 nan 0.000 0.512 771 Q N 1.153 120.996 119.800 0.073 0.000 2.395 771 Q HA 0.468 4.810 4.340 0.004 0.000 0.271 771 Q C 0.812 176.838 176.000 0.042 0.000 1.026 771 Q CA 0.543 56.379 55.803 0.055 0.000 0.900 771 Q CB 0.391 29.122 28.738 -0.013 0.000 1.266 771 Q HN 1.035 nan 8.270 nan 0.000 0.430 772 G N -0.221 108.605 108.800 0.044 0.000 2.318 772 G HA2 -0.110 3.852 3.960 0.004 0.000 0.367 772 G HA3 -0.110 3.852 3.960 0.004 0.000 0.367 772 G C -1.381 173.547 174.900 0.048 0.000 1.260 772 G CA -0.618 44.500 45.100 0.031 0.000 1.055 772 G HN 0.437 nan 8.290 nan 0.000 0.484 773 V N 2.955 122.886 119.914 0.030 0.000 2.311 773 V HA 0.524 4.646 4.120 0.004 0.000 0.275 773 V C -1.777 174.362 176.094 0.076 0.000 1.022 773 V CA -1.056 61.255 62.300 0.019 0.000 0.830 773 V CB 1.389 33.163 31.823 -0.082 0.000 1.012 773 V HN 0.646 nan 8.190 nan 0.000 0.452 774 P HA 0.322 nan 4.420 nan 0.000 0.280 774 P C -1.033 176.449 177.300 0.303 0.000 1.244 774 P CA -0.158 63.084 63.100 0.237 0.000 0.784 774 P CB 1.097 32.996 31.700 0.332 0.000 0.913 775 F N 4.752 124.810 119.950 0.179 0.000 2.565 775 F HA 0.651 5.181 4.527 0.004 0.000 0.313 775 F C -0.879 175.099 175.800 0.296 0.000 1.091 775 F CA -1.187 56.941 58.000 0.214 0.000 0.915 775 F CB 1.954 41.059 39.000 0.175 0.000 1.208 775 F HN 0.275 nan 8.300 nan 0.000 0.453 776 M N 4.290 123.720 119.600 -0.282 0.000 2.501 776 M HA 0.444 4.926 4.480 0.004 0.000 0.293 776 M C -1.567 174.473 176.300 -0.434 0.000 1.192 776 M CA -0.929 54.342 55.300 -0.049 0.000 0.886 776 M CB 2.160 34.938 32.600 0.297 0.000 1.710 776 M HN 0.736 nan 8.290 nan 0.000 0.457 777 Q N 1.687 121.451 119.800 -0.059 0.000 2.286 777 Q HA 0.367 4.709 4.340 0.004 0.000 0.267 777 Q C 0.204 176.044 176.000 -0.266 0.000 1.028 777 Q CA 0.068 55.821 55.803 -0.083 0.000 0.901 777 Q CB 0.976 29.785 28.738 0.118 0.000 1.183 777 Q HN 0.992 nan 8.270 nan 0.000 0.392 778 G N 2.218 110.717 108.800 -0.501 0.000 2.265 778 G HA2 0.304 4.266 3.960 0.004 0.000 0.240 778 G HA3 0.304 4.266 3.960 0.004 0.000 0.240 778 G C 0.867 175.485 174.900 -0.470 0.000 1.270 778 G CA 0.240 44.812 45.100 -0.879 0.000 0.901 778 G HN 1.113 nan 8.290 nan 0.000 0.507 779 G N 1.731 110.227 108.800 -0.507 0.000 2.213 779 G HA2 -0.247 3.716 3.960 0.004 0.000 0.226 779 G HA3 -0.247 3.716 3.960 0.004 0.000 0.226 779 G C 1.018 175.645 174.900 -0.455 0.000 0.992 779 G CA 0.624 45.284 45.100 -0.734 0.000 0.632 779 G HN 0.595 nan 8.290 nan 0.000 0.511 780 E N 1.053 121.062 120.200 -0.319 0.000 2.204 780 E HA -0.108 4.244 4.350 0.004 0.000 0.195 780 E C 2.359 178.547 176.600 -0.687 0.000 0.990 780 E CA 1.345 57.568 56.400 -0.295 0.000 0.821 780 E CB -0.180 29.483 29.700 -0.060 0.000 0.750 780 E HN 0.862 nan 8.360 nan 0.000 0.477 781 E N 0.892 120.568 120.200 -0.873 0.000 2.409 781 E HA -0.174 4.179 4.350 0.004 0.000 0.198 781 E C 1.574 177.816 176.600 -0.596 0.000 1.024 781 E CA 0.687 56.288 56.400 -1.332 0.000 0.861 781 E CB -0.359 28.857 29.700 -0.807 0.000 0.788 781 E HN 0.412 nan 8.360 nan 0.000 0.521 782 M N -0.768 118.591 119.600 -0.402 0.000 2.596 782 M HA 0.358 4.840 4.480 0.004 0.000 0.364 782 M C -0.110 175.972 176.300 -0.362 0.000 1.158 782 M CA -0.437 54.719 55.300 -0.239 0.000 0.940 782 M CB 0.347 32.862 32.600 -0.142 0.000 1.388 782 M HN -0.120 nan 8.290 nan 0.000 0.522 783 L N 1.044 121.953 121.223 -0.525 0.000 3.660 783 L HA -0.226 4.117 4.340 0.004 0.000 0.440 783 L C 0.392 177.025 176.870 -0.394 0.000 1.262 783 L CA 0.418 54.871 54.840 -0.645 0.000 0.837 783 L CB -1.807 39.325 42.059 -1.546 0.000 1.689 783 L HN 0.728 nan 8.230 nan 0.000 0.890 784 R N 0.643 120.969 120.500 -0.289 0.000 2.583 784 R HA 0.203 4.546 4.340 0.004 0.000 0.274 784 R C 0.287 176.554 176.300 -0.054 0.000 0.998 784 R CA 1.126 57.096 56.100 -0.218 0.000 1.081 784 R CB 0.747 30.850 30.300 -0.328 0.000 0.940 784 R HN 0.190 nan 8.270 nan 0.000 0.413 785 T N 2.682 117.233 114.554 -0.005 0.000 2.861 785 T HA 0.313 4.666 4.350 0.004 0.000 0.287 785 T C -0.105 174.623 174.700 0.046 0.000 1.003 785 T CA -0.841 61.309 62.100 0.083 0.000 0.977 785 T CB 1.238 70.204 68.868 0.163 0.000 0.996 785 T HN 0.729 nan 8.240 nan 0.000 0.448 786 K N 2.415 122.848 120.400 0.054 0.000 2.440 786 K HA 0.320 4.642 4.320 0.004 0.000 0.206 786 K C 1.223 177.836 176.600 0.021 0.000 1.025 786 K CA 0.135 56.444 56.287 0.036 0.000 1.135 786 K CB 0.471 33.006 32.500 0.059 0.000 0.856 786 K HN 0.948 nan 8.250 nan 0.000 0.502 787 G N 1.138 109.957 108.800 0.030 0.000 2.225 787 G HA2 -0.302 3.660 3.960 0.004 0.000 0.267 787 G HA3 -0.302 3.660 3.960 0.004 0.000 0.267 787 G C 0.741 175.643 174.900 0.002 0.000 1.024 787 G CA 0.473 45.583 45.100 0.017 0.000 0.784 787 G HN 0.549 nan 8.290 nan 0.000 0.507 788 G N -1.280 107.523 108.800 0.005 0.000 2.175 788 G HA2 -0.306 3.657 3.960 0.004 0.000 0.244 788 G HA3 -0.306 3.657 3.960 0.004 0.000 0.244 788 G C 0.317 175.217 174.900 -0.001 0.000 0.982 788 G CA 0.719 45.813 45.100 -0.010 0.000 0.641 788 G HN 1.339 nan 8.290 nan 0.000 0.527 789 N N 1.353 120.059 118.700 0.010 0.000 2.412 789 N HA 0.205 4.948 4.740 0.004 0.000 0.258 789 N C 0.752 176.294 175.510 0.052 0.000 1.236 789 N CA 1.048 54.108 53.050 0.017 0.000 0.882 789 N CB 0.763 39.253 38.487 0.005 0.000 1.066 789 N HN 0.458 nan 8.380 nan 0.000 0.465 790 D N 1.088 121.520 120.400 0.054 0.000 2.440 790 D HA 0.076 4.718 4.640 0.004 0.000 0.216 790 D C -0.378 176.007 176.300 0.141 0.000 1.150 790 D CA -0.156 53.892 54.000 0.080 0.000 0.832 790 D CB -0.165 40.656 40.800 0.035 0.000 0.992 790 D HN 0.398 nan 8.370 nan 0.000 0.502 791 N N 0.105 118.900 118.700 0.158 0.000 3.029 791 N HA -0.002 4.740 4.740 0.004 0.000 0.198 791 N C -0.656 174.888 175.510 0.058 0.000 1.444 791 N CA 0.075 53.257 53.050 0.219 0.000 0.784 791 N CB 0.406 39.008 38.487 0.192 0.000 1.539 791 N HN -0.035 nan 8.380 nan 0.000 0.582 792 S N 0.342 116.058 115.700 0.027 0.000 2.685 792 S HA 0.008 4.481 4.470 0.004 0.000 0.240 792 S C 1.612 175.770 174.600 -0.736 0.000 0.967 792 S CA -0.375 57.709 58.200 -0.194 0.000 1.009 792 S CB -0.952 62.296 63.200 0.079 0.000 0.776 792 S HN 0.539 nan 8.310 nan 0.000 0.467 793 Y N 2.446 121.911 120.300 -1.393 0.000 2.241 793 Y HA -0.112 4.440 4.550 0.004 0.000 0.286 793 Y C 1.294 176.824 175.900 -0.618 0.000 1.166 793 Y CA 1.545 58.566 58.100 -1.799 0.000 1.203 793 Y CB -0.787 37.053 38.460 -1.033 0.000 0.977 793 Y HN 0.529 nan 8.280 nan 0.000 0.529 794 N N -0.030 118.058 118.700 -1.021 0.000 2.299 794 N HA 0.299 5.041 4.740 0.004 0.000 0.246 794 N C 0.674 175.982 175.510 -0.336 0.000 1.254 794 N CA 0.267 53.044 53.050 -0.455 0.000 0.879 794 N CB -0.129 38.028 38.487 -0.550 0.000 1.214 794 N HN 0.399 nan 8.380 nan 0.000 0.510 795 A N 0.076 122.632 122.820 -0.440 0.000 2.167 795 A HA 0.557 4.880 4.320 0.004 0.000 0.214 795 A C 1.285 178.635 177.584 -0.390 0.000 1.151 795 A CA 0.635 52.446 52.037 -0.376 0.000 0.735 795 A CB -0.785 18.022 19.000 -0.321 0.000 0.802 795 A HN 0.808 nan 8.150 nan 0.000 0.467 796 G N -0.781 107.629 108.800 -0.649 0.000 2.698 796 G HA2 -0.173 3.789 3.960 0.004 0.000 0.225 796 G HA3 -0.173 3.789 3.960 0.004 0.000 0.225 796 G C -0.052 174.492 174.900 -0.594 0.000 1.345 796 G CA 0.056 44.835 45.100 -0.536 0.000 0.871 796 G HN 0.124 nan 8.290 nan 0.000 0.540 797 D N -0.214 120.038 120.400 -0.247 0.000 2.162 797 D HA 0.022 4.664 4.640 0.004 0.000 0.203 797 D C 2.701 178.953 176.300 -0.079 0.000 0.967 797 D CA 1.476 55.408 54.000 -0.114 0.000 0.840 797 D CB -0.248 40.567 40.800 0.026 0.000 0.972 797 D HN 0.297 nan 8.370 nan 0.000 0.482 798 S N 0.282 115.938 115.700 -0.073 0.000 2.399 798 S HA -0.082 4.390 4.470 0.004 0.000 0.231 798 S C 2.245 176.811 174.600 -0.056 0.000 1.022 798 S CA 0.430 58.603 58.200 -0.045 0.000 0.983 798 S CB 0.053 63.231 63.200 -0.036 0.000 0.803 798 S HN 0.088 nan 8.310 nan 0.000 0.480 799 V N 2.268 122.118 119.914 -0.107 0.000 2.331 799 V HA -0.022 4.100 4.120 0.004 0.000 0.242 799 V C 1.884 177.938 176.094 -0.065 0.000 1.034 799 V CA 1.283 63.527 62.300 -0.094 0.000 1.027 799 V CB -0.408 31.331 31.823 -0.139 0.000 0.667 799 V HN 0.445 nan 8.190 nan 0.000 0.457 800 N N 0.138 118.761 118.700 -0.128 0.000 2.392 800 N HA 0.019 4.761 4.740 0.004 0.000 0.177 800 N C 1.015 176.591 175.510 0.110 0.000 1.066 800 N CA -0.005 53.035 53.050 -0.017 0.000 0.895 800 N CB 0.106 38.509 38.487 -0.139 0.000 0.988 800 N HN 0.716 nan 8.380 nan 0.000 0.457 801 Q N 0.267 120.116 119.800 0.083 0.000 2.454 801 Q HA 0.031 4.374 4.340 0.004 0.000 0.247 801 Q C -0.759 175.385 176.000 0.240 0.000 1.028 801 Q CA -0.005 55.911 55.803 0.189 0.000 0.910 801 Q CB 0.291 29.109 28.738 0.134 0.000 1.276 801 Q HN -0.100 nan 8.270 nan 0.000 0.489 802 F N 2.113 122.013 119.950 -0.083 0.000 2.487 802 F HA 0.052 4.581 4.527 0.004 0.000 0.364 802 F C 0.318 175.900 175.800 -0.363 0.000 1.126 802 F CA -0.493 57.282 58.000 -0.374 0.000 1.135 802 F CB 0.094 38.685 39.000 -0.681 0.000 1.127 802 F HN 0.578 nan 8.300 nan 0.000 0.559 803 D N 3.595 123.891 120.400 -0.174 0.000 2.411 803 D HA 0.022 4.664 4.640 0.004 0.000 0.225 803 D C 0.453 176.684 176.300 -0.115 0.000 1.156 803 D CA -0.369 53.594 54.000 -0.062 0.000 0.874 803 D CB 0.204 40.983 40.800 -0.034 0.000 1.034 803 D HN 0.443 nan 8.370 nan 0.000 0.502 804 W N 2.175 123.472 121.300 -0.005 0.000 2.699 804 W HA -0.078 4.584 4.660 0.004 0.000 0.249 804 W C 2.558 179.040 176.519 -0.063 0.000 1.280 804 W CA 0.640 57.961 57.345 -0.040 0.000 1.345 804 W CB -0.245 29.175 29.460 -0.067 0.000 1.128 804 W HN 0.499 nan 8.180 nan 0.000 0.642 805 S N 0.658 116.429 115.700 0.118 0.000 2.419 805 S HA -0.203 4.269 4.470 0.004 0.000 0.235 805 S C 1.731 176.318 174.600 -0.022 0.000 1.019 805 S CA 1.011 59.230 58.200 0.032 0.000 0.982 805 S CB -0.364 62.843 63.200 0.011 0.000 0.789 805 S HN 0.380 nan 8.310 nan 0.000 0.490 806 R N 1.074 121.562 120.500 -0.020 0.000 2.189 806 R HA 0.110 4.453 4.340 0.004 0.000 0.218 806 R C 2.455 178.766 176.300 0.017 0.000 1.074 806 R CA 1.158 57.260 56.100 0.003 0.000 0.991 806 R CB -0.235 30.078 30.300 0.021 0.000 0.883 806 R HN 0.552 nan 8.270 nan 0.000 0.457 807 K N 0.976 121.367 120.400 -0.015 0.000 2.097 807 K HA -0.079 4.243 4.320 0.004 0.000 0.205 807 K C 1.986 178.549 176.600 -0.061 0.000 1.050 807 K CA 1.260 57.533 56.287 -0.023 0.000 0.938 807 K CB -0.016 32.465 32.500 -0.031 0.000 0.718 807 K HN 0.123 nan 8.250 nan 0.000 0.442 808 A N 1.087 123.869 122.820 -0.064 0.000 1.898 808 A HA -0.220 4.103 4.320 0.004 0.000 0.216 808 A C 2.096 179.588 177.584 -0.153 0.000 1.181 808 A CA 1.612 53.596 52.037 -0.088 0.000 0.620 808 A CB -0.628 18.332 19.000 -0.066 0.000 0.819 808 A HN 0.556 nan 8.150 nan 0.000 0.442 809 Q N -1.806 117.844 119.800 -0.251 0.000 2.119 809 Q HA -0.098 4.245 4.340 0.004 0.000 0.201 809 Q C -0.085 175.479 176.000 -0.726 0.000 0.972 809 Q CA 1.285 56.760 55.803 -0.547 0.000 0.847 809 Q CB -0.029 28.244 28.738 -0.774 0.000 0.903 809 Q HN 0.589 nan 8.270 nan 0.000 0.433 810 F N -0.033 119.858 119.950 -0.097 0.000 2.928 810 F HA 0.302 4.832 4.527 0.004 0.000 0.337 810 F C 0.885 176.672 175.800 -0.022 0.000 1.259 810 F CA -0.500 57.440 58.000 -0.100 0.000 1.267 810 F CB 0.600 39.475 39.000 -0.208 0.000 0.986 810 F HN -0.070 nan 8.300 nan 0.000 0.507 811 K N 0.828 121.278 120.400 0.083 0.000 2.152 811 K HA -0.159 4.164 4.320 0.004 0.000 0.206 811 K C 1.473 178.193 176.600 0.201 0.000 1.048 811 K CA 1.732 58.085 56.287 0.110 0.000 0.933 811 K CB -0.114 32.401 32.500 0.026 0.000 0.721 811 K HN 0.109 nan 8.250 nan 0.000 0.447 812 D N -0.478 120.024 120.400 0.171 0.000 2.144 812 D HA -0.126 4.516 4.640 0.004 0.000 0.199 812 D C 1.840 178.295 176.300 0.259 0.000 0.984 812 D CA 1.190 55.309 54.000 0.197 0.000 0.834 812 D CB -0.128 40.764 40.800 0.153 0.000 0.955 812 D HN 0.031 nan 8.370 nan 0.000 0.465 813 V N 0.863 120.919 119.914 0.236 0.000 2.295 813 V HA -0.230 3.892 4.120 0.004 0.000 0.246 813 V C 2.183 178.446 176.094 0.282 0.000 1.049 813 V CA 1.278 63.718 62.300 0.234 0.000 1.024 813 V CB -0.634 31.218 31.823 0.048 0.000 0.648 813 V HN 0.085 nan 8.190 nan 0.000 0.447 814 F N 1.695 121.679 119.950 0.057 0.000 2.091 814 F HA -0.240 4.289 4.527 0.004 0.000 0.299 814 F C 2.190 178.094 175.800 0.173 0.000 1.103 814 F CA 2.209 60.233 58.000 0.040 0.000 1.228 814 F CB -0.383 38.631 39.000 0.023 0.000 0.984 814 F HN 0.219 nan 8.300 nan 0.000 0.477 815 D N -1.046 119.612 120.400 0.429 0.000 2.144 815 D HA -0.231 4.412 4.640 0.004 0.000 0.199 815 D C 1.987 178.430 176.300 0.238 0.000 0.984 815 D CA 1.457 55.642 54.000 0.309 0.000 0.834 815 D CB -0.772 40.189 40.800 0.269 0.000 0.955 815 D HN 0.442 nan 8.370 nan 0.000 0.465 816 Y N 0.321 120.742 120.300 0.201 0.000 2.114 816 Y HA -0.244 4.309 4.550 0.004 0.000 0.284 816 Y C 2.081 178.099 175.900 0.196 0.000 1.143 816 Y CA 1.434 59.650 58.100 0.193 0.000 1.135 816 Y CB -0.421 38.172 38.460 0.221 0.000 0.980 816 Y HN -0.180 nan 8.280 nan 0.000 0.499 817 F N -0.426 119.620 119.950 0.160 0.000 2.091 817 F HA -0.280 4.249 4.527 0.004 0.000 0.299 817 F C 3.042 178.714 175.800 -0.214 0.000 1.103 817 F CA 1.946 59.955 58.000 0.014 0.000 1.228 817 F CB -1.371 37.600 39.000 -0.048 0.000 0.984 817 F HN 0.108 nan 8.300 nan 0.000 0.477 818 S N -0.850 114.835 115.700 -0.026 0.000 2.370 818 S HA -0.187 4.285 4.470 0.004 0.000 0.226 818 S C 2.344 176.995 174.600 0.084 0.000 1.033 818 S CA 1.791 59.984 58.200 -0.013 0.000 1.011 818 S CB -0.504 62.690 63.200 -0.010 0.000 0.852 818 S HN 0.324 nan 8.310 nan 0.000 0.457 819 S N 1.176 116.861 115.700 -0.025 0.000 2.368 819 S HA 0.014 4.487 4.470 0.004 0.000 0.224 819 S C 1.973 176.500 174.600 -0.121 0.000 1.029 819 S CA 1.212 59.373 58.200 -0.065 0.000 0.988 819 S CB -0.301 62.834 63.200 -0.108 0.000 0.838 819 S HN 0.440 nan 8.310 nan 0.000 0.462 820 M N 0.841 120.290 119.600 -0.252 0.000 2.117 820 M HA 0.009 4.492 4.480 0.004 0.000 0.262 820 M C 2.054 178.143 176.300 -0.350 0.000 1.065 820 M CA 1.370 56.501 55.300 -0.283 0.000 1.114 820 M CB -1.123 31.337 32.600 -0.234 0.000 1.361 820 M HN 0.304 nan 8.290 nan 0.000 0.408 821 I N -1.051 119.229 120.570 -0.485 0.000 2.202 821 I HA -0.334 3.838 4.170 0.004 0.000 0.242 821 I C 2.478 178.411 176.117 -0.308 0.000 1.091 821 I CA 1.105 62.079 61.300 -0.544 0.000 1.368 821 I CB -0.597 37.047 38.000 -0.595 0.000 1.058 821 I HN 0.342 nan 8.210 nan 0.000 0.410 822 H N 0.009 118.965 119.070 -0.191 0.000 2.387 822 H HA -0.171 4.387 4.556 0.004 0.000 0.299 822 H C 2.209 177.496 175.328 -0.069 0.000 1.090 822 H CA 1.563 57.548 56.048 -0.105 0.000 1.332 822 H CB -0.092 29.630 29.762 -0.067 0.000 1.386 822 H HN 0.234 nan 8.280 nan 0.000 0.516 823 L N 1.239 122.492 121.223 0.049 0.000 1.989 823 L HA -0.177 4.166 4.340 0.004 0.000 0.211 823 L C 2.756 179.675 176.870 0.082 0.000 1.071 823 L CA 1.576 56.470 54.840 0.091 0.000 0.749 823 L CB -0.464 41.620 42.059 0.041 0.000 0.890 823 L HN 0.020 nan 8.230 nan 0.000 0.431 824 R N -0.636 119.800 120.500 -0.108 0.000 2.091 824 R HA -0.202 4.140 4.340 0.004 0.000 0.238 824 R C 2.018 178.342 176.300 0.041 0.000 1.136 824 R CA 1.842 57.899 56.100 -0.071 0.000 0.959 824 R CB -0.313 29.895 30.300 -0.154 0.000 0.856 824 R HN 0.491 nan 8.270 nan 0.000 0.437 825 N N 0.379 119.053 118.700 -0.044 0.000 2.223 825 N HA -0.151 4.592 4.740 0.004 0.000 0.185 825 N C 1.521 176.998 175.510 -0.055 0.000 1.016 825 N CA 1.037 54.054 53.050 -0.055 0.000 0.863 825 N CB -0.123 38.294 38.487 -0.117 0.000 0.983 825 N HN 0.306 nan 8.380 nan 0.000 0.429 826 Q N -0.187 119.566 119.800 -0.078 0.000 2.398 826 Q HA 0.049 4.391 4.340 0.004 0.000 0.204 826 Q C -0.181 175.499 176.000 -0.533 0.000 0.932 826 Q CA 0.657 56.295 55.803 -0.276 0.000 0.916 826 Q CB 0.282 28.832 28.738 -0.314 0.000 1.024 826 Q HN 0.505 nan 8.270 nan 0.000 0.504 827 H N 0.620 119.696 119.070 0.011 0.000 2.866 827 H HA 0.173 4.731 4.556 0.004 0.000 0.287 827 H C -1.725 173.686 175.328 0.138 0.000 1.106 827 H CA -1.752 54.319 56.048 0.038 0.000 1.396 827 H CB 1.649 31.472 29.762 0.101 0.000 1.469 827 H HN -0.037 nan 8.280 nan 0.000 0.500 828 P HA -0.067 nan 4.420 nan 0.000 0.234 828 P C 1.349 178.702 177.300 0.089 0.000 1.167 828 P CA 0.523 63.682 63.100 0.099 0.000 0.763 828 P CB 0.247 31.976 31.700 0.050 0.000 0.835 829 A N -0.232 122.616 122.820 0.047 0.000 1.978 829 A HA -0.160 4.162 4.320 0.004 0.000 0.220 829 A C 1.719 179.249 177.584 -0.089 0.000 1.170 829 A CA 1.199 53.198 52.037 -0.064 0.000 0.636 829 A CB -1.732 17.166 19.000 -0.169 0.000 0.810 829 A HN 0.099 nan 8.150 nan 0.000 0.448 830 F N -0.644 119.386 119.950 0.134 0.000 2.699 830 F HA 0.075 4.605 4.527 0.004 0.000 0.298 830 F C 1.625 177.477 175.800 0.087 0.000 1.154 830 F CA 0.815 58.895 58.000 0.133 0.000 1.457 830 F CB 0.058 39.153 39.000 0.159 0.000 1.106 830 F HN 0.088 nan 8.300 nan 0.000 0.585 831 R N -0.475 120.144 120.500 0.199 0.000 2.734 831 R HA 0.268 4.611 4.340 0.004 0.000 0.395 831 R C -0.210 176.124 176.300 0.057 0.000 1.096 831 R CA -0.240 55.934 56.100 0.125 0.000 1.071 831 R CB 0.266 30.636 30.300 0.117 0.000 1.348 831 R HN 0.152 nan 8.270 nan 0.000 0.600 832 M N 0.579 120.202 119.600 0.038 0.000 2.252 832 M HA -0.031 4.452 4.480 0.004 0.000 0.329 832 M C 1.479 177.775 176.300 -0.007 0.000 1.101 832 M CA 1.005 56.305 55.300 -0.000 0.000 1.117 832 M CB 0.736 33.328 32.600 -0.014 0.000 1.563 832 M HN 0.198 nan 8.290 nan 0.000 0.445 833 T N -3.300 111.241 114.554 -0.023 0.000 3.001 833 T HA 0.129 4.481 4.350 0.004 0.000 0.251 833 T C 0.541 175.224 174.700 -0.029 0.000 1.040 833 T CA 0.272 62.357 62.100 -0.024 0.000 0.985 833 T CB -0.098 68.751 68.868 -0.031 0.000 1.011 833 T HN 0.804 nan 8.240 nan 0.000 0.509 834 T N -1.915 112.620 114.554 -0.032 0.000 2.916 834 T HA 0.797 5.149 4.350 0.004 0.000 0.292 834 T C 1.412 176.093 174.700 -0.033 0.000 1.055 834 T CA -0.286 61.796 62.100 -0.031 0.000 1.009 834 T CB 1.689 70.539 68.868 -0.030 0.000 1.118 834 T HN 0.035 nan 8.240 nan 0.000 0.497 835 A N 1.339 124.139 122.820 -0.033 0.000 1.908 835 A HA -0.062 4.260 4.320 0.004 0.000 0.218 835 A C 1.884 179.450 177.584 -0.029 0.000 1.181 835 A CA 1.908 53.924 52.037 -0.035 0.000 0.627 835 A CB -1.088 17.892 19.000 -0.034 0.000 0.818 835 A HN 0.903 nan 8.150 nan 0.000 0.445 836 D N -0.465 119.921 120.400 -0.023 0.000 2.123 836 D HA -0.168 4.475 4.640 0.004 0.000 0.196 836 D C 2.135 178.422 176.300 -0.020 0.000 0.992 836 D CA 1.453 55.442 54.000 -0.019 0.000 0.833 836 D CB -0.480 40.312 40.800 -0.015 0.000 0.954 836 D HN 0.617 nan 8.370 nan 0.000 0.455 837 Q N -0.056 119.730 119.800 -0.024 0.000 2.061 837 Q HA -0.123 4.219 4.340 0.004 0.000 0.204 837 Q C 2.485 178.467 176.000 -0.030 0.000 0.984 837 Q CA 0.889 56.677 55.803 -0.025 0.000 0.846 837 Q CB -0.092 28.628 28.738 -0.031 0.000 0.902 837 Q HN 0.364 nan 8.270 nan 0.000 0.421 838 I N 0.540 121.087 120.570 -0.038 0.000 2.226 838 I HA -0.290 3.882 4.170 0.004 0.000 0.245 838 I C 2.191 178.276 176.117 -0.054 0.000 1.100 838 I CA 1.205 62.472 61.300 -0.055 0.000 1.374 838 I CB -0.222 37.739 38.000 -0.063 0.000 1.057 838 I HN 0.113 nan 8.210 nan 0.000 0.413 839 K N 0.275 120.654 120.400 -0.036 0.000 2.147 839 K HA -0.241 4.081 4.320 0.004 0.000 0.205 839 K C 2.161 178.749 176.600 -0.020 0.000 1.049 839 K CA 1.244 57.516 56.287 -0.024 0.000 0.936 839 K CB -0.178 32.315 32.500 -0.013 0.000 0.722 839 K HN 0.405 nan 8.250 nan 0.000 0.446 840 Q N 0.573 120.362 119.800 -0.018 0.000 2.123 840 Q HA -0.109 4.234 4.340 0.004 0.000 0.199 840 Q C 1.073 177.064 176.000 -0.014 0.000 0.966 840 Q CA 1.246 57.043 55.803 -0.010 0.000 0.845 840 Q CB 0.270 29.006 28.738 -0.004 0.000 0.907 840 Q HN 0.250 nan 8.270 nan 0.000 0.439 841 N N -0.363 118.321 118.700 -0.026 0.000 2.273 841 N HA 0.142 4.884 4.740 0.004 0.000 0.192 841 N C -0.349 175.134 175.510 -0.046 0.000 1.132 841 N CA 0.054 53.088 53.050 -0.026 0.000 0.887 841 N CB 0.946 39.422 38.487 -0.019 0.000 1.048 841 N HN 0.176 nan 8.380 nan 0.000 0.490 842 L N 1.778 122.953 121.223 -0.080 0.000 2.296 842 L HA 0.447 4.790 4.340 0.004 0.000 0.286 842 L C -0.731 176.035 176.870 -0.174 0.000 1.023 842 L CA -0.304 54.451 54.840 -0.143 0.000 0.812 842 L CB 1.150 43.067 42.059 -0.235 0.000 1.223 842 L HN 0.023 nan 8.230 nan 0.000 0.421 843 T N 0.476 114.931 114.554 -0.165 0.000 2.886 843 T HA 0.508 4.860 4.350 0.004 0.000 0.292 843 T C -0.497 174.102 174.700 -0.168 0.000 1.012 843 T CA -0.566 61.457 62.100 -0.127 0.000 0.982 843 T CB 1.022 69.879 68.868 -0.018 0.000 1.018 843 T HN 0.222 nan 8.240 nan 0.000 0.451 844 F N 1.838 121.829 119.950 0.068 0.000 2.443 844 F HA 0.494 5.023 4.527 0.004 0.000 0.353 844 F C 0.491 176.318 175.800 0.046 0.000 1.101 844 F CA -0.996 57.054 58.000 0.085 0.000 1.226 844 F CB 0.648 39.682 39.000 0.057 0.000 1.140 844 F HN 0.365 nan 8.300 nan 0.000 0.557 845 L N 1.999 123.349 121.223 0.211 0.000 2.322 845 L HA 0.365 4.707 4.340 0.004 0.000 0.279 845 L C -0.026 176.897 176.870 0.088 0.000 1.036 845 L CA -1.169 53.725 54.840 0.089 0.000 0.807 845 L CB 1.433 43.489 42.059 -0.006 0.000 1.226 845 L HN 0.492 nan 8.230 nan 0.000 0.433 846 E N 2.218 122.449 120.200 0.051 0.000 2.480 846 E HA 0.167 4.519 4.350 0.004 0.000 0.258 846 E C -0.642 175.971 176.600 0.021 0.000 0.984 846 E CA 0.119 56.541 56.400 0.036 0.000 0.930 846 E CB 0.606 30.319 29.700 0.022 0.000 0.936 846 E HN 0.595 nan 8.360 nan 0.000 0.466 847 S N 3.034 118.751 115.700 0.029 0.000 2.638 847 S HA 0.736 5.208 4.470 0.004 0.000 0.274 847 S C -2.660 171.956 174.600 0.027 0.000 1.157 847 S CA -1.549 56.664 58.200 0.022 0.000 0.826 847 S CB 1.138 64.359 63.200 0.035 0.000 1.139 847 S HN 0.338 nan 8.310 nan 0.000 0.474 848 P HA 0.257 nan 4.420 nan 0.000 0.271 848 P C -0.394 176.929 177.300 0.038 0.000 1.233 848 P CA -0.138 62.977 63.100 0.024 0.000 0.789 848 P CB -0.101 31.609 31.700 0.017 0.000 0.951 849 T N 2.183 116.756 114.554 0.030 0.000 2.891 849 T HA -0.059 4.293 4.350 0.004 0.000 0.296 849 T C 0.822 175.554 174.700 0.054 0.000 1.025 849 T CA 0.827 62.949 62.100 0.037 0.000 1.149 849 T CB -0.806 68.076 68.868 0.023 0.000 1.007 849 T HN 0.659 nan 8.240 nan 0.000 0.528 850 N N 0.897 119.648 118.700 0.084 0.000 2.754 850 N HA -0.177 4.565 4.740 0.004 0.000 0.248 850 N C -0.243 175.377 175.510 0.183 0.000 1.093 850 N CA 1.334 54.463 53.050 0.131 0.000 0.699 850 N CB -1.168 37.356 38.487 0.060 0.000 1.016 850 N HN 0.972 nan 8.380 nan 0.000 0.552 851 T N -4.022 110.657 114.554 0.208 0.000 2.896 851 T HA 0.751 5.104 4.350 0.004 0.000 0.297 851 T C -0.476 174.394 174.700 0.283 0.000 1.108 851 T CA -0.708 61.553 62.100 0.269 0.000 1.004 851 T CB 2.345 71.300 68.868 0.144 0.000 1.159 851 T HN -0.025 nan 8.240 nan 0.000 0.499 852 V N 1.107 121.236 119.914 0.358 0.000 2.483 852 V HA 0.827 4.949 4.120 0.004 0.000 0.297 852 V C -0.167 176.047 176.094 0.200 0.000 1.027 852 V CA -0.704 61.770 62.300 0.290 0.000 0.855 852 V CB 1.183 33.217 31.823 0.351 0.000 0.995 852 V HN 1.394 nan 8.190 nan 0.000 0.424 853 A N 5.545 128.494 122.820 0.215 0.000 2.393 853 A HA 1.023 5.345 4.320 0.004 0.000 0.306 853 A C -1.074 176.633 177.584 0.205 0.000 1.050 853 A CA -0.472 51.592 52.037 0.044 0.000 0.724 853 A CB 1.402 20.380 19.000 -0.036 0.000 1.248 853 A HN 1.108 nan 8.150 nan 0.000 0.424 854 F N -0.345 119.554 119.950 -0.085 0.000 2.643 854 F HA 0.856 5.385 4.527 0.004 0.000 0.314 854 F C -0.641 175.045 175.800 -0.191 0.000 1.096 854 F CA -0.829 57.053 58.000 -0.196 0.000 0.953 854 F CB 1.538 40.265 39.000 -0.455 0.000 1.345 854 F HN 0.583 nan 8.300 nan 0.000 0.468 855 E N 1.924 122.131 120.200 0.012 0.000 2.234 855 E HA 0.549 4.901 4.350 0.004 0.000 0.266 855 E C -1.926 174.698 176.600 0.039 0.000 0.877 855 E CA -0.862 55.521 56.400 -0.029 0.000 0.758 855 E CB 1.964 31.648 29.700 -0.028 0.000 1.170 855 E HN 0.827 nan 8.360 nan 0.000 0.415 856 L N 4.662 125.898 121.223 0.022 0.000 2.262 856 L HA 0.461 4.803 4.340 0.004 0.000 0.288 856 L C -0.102 176.757 176.870 -0.019 0.000 1.035 856 L CA -0.537 54.298 54.840 -0.009 0.000 0.820 856 L CB 0.928 42.941 42.059 -0.076 0.000 1.204 856 L HN 0.364 nan 8.230 nan 0.000 0.424 857 K N 2.546 122.933 120.400 -0.022 0.000 2.211 857 K HA 0.480 4.802 4.320 0.004 0.000 0.237 857 K C 0.002 176.571 176.600 -0.051 0.000 1.002 857 K CA -0.921 55.343 56.287 -0.038 0.000 0.885 857 K CB 0.954 33.441 32.500 -0.021 0.000 1.136 857 K HN 0.468 nan 8.250 nan 0.000 0.448 858 N N 0.816 119.447 118.700 -0.115 0.000 2.815 858 N HA -0.182 4.560 4.740 0.004 0.000 0.249 858 N C -1.216 174.328 175.510 0.055 0.000 1.114 858 N CA 0.654 53.670 53.050 -0.056 0.000 0.717 858 N CB -1.756 36.748 38.487 0.029 0.000 1.074 858 N HN 0.760 nan 8.380 nan 0.000 0.555 859 Y N -2.596 117.740 120.300 0.061 0.000 3.037 859 Y HA -0.259 4.293 4.550 0.004 0.000 0.204 859 Y C 1.166 177.116 175.900 0.083 0.000 1.275 859 Y CA 0.423 58.573 58.100 0.083 0.000 1.066 859 Y CB -2.110 36.397 38.460 0.079 0.000 1.305 859 Y HN 0.439 nan 8.280 nan 0.000 0.499 860 A N 1.230 124.128 122.820 0.130 0.000 2.566 860 A HA 0.264 4.586 4.320 0.004 0.000 0.245 860 A C 1.228 178.863 177.584 0.085 0.000 1.056 860 A CA 0.618 52.702 52.037 0.078 0.000 0.757 860 A CB -0.125 18.882 19.000 0.011 0.000 0.979 860 A HN 0.894 nan 8.150 nan 0.000 0.508 861 N N 1.090 119.819 118.700 0.047 0.000 2.721 861 N HA -0.226 4.516 4.740 0.004 0.000 0.249 861 N C -0.040 175.499 175.510 0.049 0.000 1.072 861 N CA 1.624 54.655 53.050 -0.031 0.000 0.710 861 N CB -1.593 36.880 38.487 -0.024 0.000 0.993 861 N HN 0.939 nan 8.380 nan 0.000 0.547 862 H N -2.110 116.993 119.070 0.055 0.000 2.903 862 H HA -0.177 4.382 4.556 0.004 0.000 0.285 862 H C -0.036 175.320 175.328 0.047 0.000 1.231 862 H CA 1.028 57.099 56.048 0.038 0.000 1.135 862 H CB -1.815 27.949 29.762 0.003 0.000 1.328 862 H HN 0.556 nan 8.280 nan 0.000 0.388 863 D N 0.300 120.827 120.400 0.213 0.000 2.382 863 D HA 0.071 4.714 4.640 0.004 0.000 0.240 863 D C 1.407 177.844 176.300 0.229 0.000 1.146 863 D CA 0.983 55.092 54.000 0.183 0.000 0.897 863 D CB 0.915 41.839 40.800 0.207 0.000 1.197 863 D HN 0.473 nan 8.370 nan 0.000 0.432 864 T N -0.540 114.095 114.554 0.136 0.000 3.113 864 T HA 0.014 4.366 4.350 0.004 0.000 0.256 864 T C 0.476 175.453 174.700 0.460 0.000 1.131 864 T CA -0.211 61.996 62.100 0.177 0.000 1.074 864 T CB 0.076 68.959 68.868 0.024 0.000 0.944 864 T HN 0.253 nan 8.240 nan 0.000 0.516 865 W N 2.566 124.050 121.300 0.307 0.000 2.391 865 W HA 0.564 5.227 4.660 0.004 0.000 0.311 865 W C 1.173 177.711 176.519 0.033 0.000 1.087 865 W CA -2.648 54.797 57.345 0.168 0.000 1.209 865 W CB 1.651 31.142 29.460 0.051 0.000 1.273 865 W HN 0.087 nan 8.180 nan 0.000 0.482 866 K N 2.146 122.537 120.400 -0.015 0.000 1.985 866 K HA -0.137 4.185 4.320 0.004 0.000 0.210 866 K C 0.101 176.482 176.600 -0.364 0.000 1.047 866 K CA 1.420 57.248 56.287 -0.765 0.000 0.932 866 K CB 0.087 32.128 32.500 -0.765 0.000 0.716 866 K HN 0.255 nan 8.250 nan 0.000 0.439 867 N N 0.284 118.871 118.700 -0.189 0.000 2.296 867 N HA 0.321 5.063 4.740 0.004 0.000 0.294 867 N C -1.226 174.338 175.510 0.091 0.000 1.033 867 N CA -0.432 52.597 53.050 -0.035 0.000 0.839 867 N CB 1.948 40.440 38.487 0.007 0.000 1.395 867 N HN 0.076 nan 8.380 nan 0.000 0.479 868 I N 2.263 122.888 120.570 0.091 0.000 2.465 868 I HA 0.475 4.648 4.170 0.004 0.000 0.291 868 I C -0.214 175.888 176.117 -0.025 0.000 1.014 868 I CA -0.654 60.684 61.300 0.065 0.000 1.093 868 I CB 1.866 39.853 38.000 -0.021 0.000 1.267 868 I HN 0.245 nan 8.210 nan 0.000 0.431 869 I N 6.288 126.799 120.570 -0.097 0.000 2.404 869 I HA 0.464 4.636 4.170 0.004 0.000 0.293 869 I C -0.655 175.232 176.117 -0.383 0.000 0.992 869 I CA -0.825 60.279 61.300 -0.327 0.000 1.149 869 I CB 2.115 39.807 38.000 -0.513 0.000 1.315 869 I HN 0.197 nan 8.210 nan 0.000 0.446 870 V N 7.029 126.526 119.914 -0.695 0.000 2.604 870 V HA 0.518 4.641 4.120 0.004 0.000 0.305 870 V C -0.387 175.249 176.094 -0.764 0.000 1.043 870 V CA -0.604 61.263 62.300 -0.721 0.000 0.888 870 V CB 1.971 33.208 31.823 -0.976 0.000 0.995 870 V HN 0.711 nan 8.190 nan 0.000 0.429 871 M N 4.960 124.275 119.600 -0.475 0.000 2.267 871 M HA 0.599 5.081 4.480 0.004 0.000 0.289 871 M C -2.128 174.071 176.300 -0.169 0.000 1.043 871 M CA -0.507 54.592 55.300 -0.335 0.000 0.928 871 M CB 1.900 34.395 32.600 -0.175 0.000 1.613 871 M HN 0.614 nan 8.290 nan 0.000 0.450 872 Y N 2.908 123.311 120.300 0.172 0.000 2.341 872 Y HA 0.409 4.961 4.550 0.004 0.000 0.340 872 Y C 0.005 176.013 175.900 0.180 0.000 0.997 872 Y CA -0.904 57.338 58.100 0.237 0.000 1.149 872 Y CB 0.522 39.259 38.460 0.462 0.000 1.171 872 Y HN 0.610 nan 8.280 nan 0.000 0.494 873 N N 5.603 124.430 118.700 0.213 0.000 2.706 873 N HA 0.312 5.054 4.740 0.004 0.000 0.240 873 N C -2.392 173.095 175.510 -0.038 0.000 1.039 873 N CA -2.540 50.553 53.050 0.072 0.000 0.888 873 N CB 1.428 39.942 38.487 0.045 0.000 1.128 873 N HN 0.195 nan 8.380 nan 0.000 0.512 874 P HA 0.019 nan 4.420 nan 0.000 0.241 874 P C -0.511 176.677 177.300 -0.187 0.000 1.191 874 P CA 0.268 63.185 63.100 -0.304 0.000 0.771 874 P CB 0.268 31.546 31.700 -0.703 0.000 0.929 875 N N 0.930 119.556 118.700 -0.123 0.000 2.467 875 N HA 0.061 4.803 4.740 0.004 0.000 0.262 875 N C 0.951 176.429 175.510 -0.054 0.000 1.234 875 N CA -0.040 52.962 53.050 -0.080 0.000 0.952 875 N CB 1.041 39.498 38.487 -0.050 0.000 1.158 875 N HN 0.032 nan 8.380 nan 0.000 0.463 876 K N -0.259 120.115 120.400 -0.044 0.000 2.487 876 K HA 0.004 4.326 4.320 0.004 0.000 0.192 876 K C 0.417 177.005 176.600 -0.019 0.000 1.027 876 K CA 0.457 56.725 56.287 -0.031 0.000 1.054 876 K CB 0.122 32.604 32.500 -0.030 0.000 0.824 876 K HN 0.652 nan 8.250 nan 0.000 0.510 877 T N -2.069 112.475 114.554 -0.017 0.000 2.924 877 T HA 0.305 4.657 4.350 0.004 0.000 0.291 877 T C 0.151 174.846 174.700 -0.007 0.000 1.045 877 T CA -1.059 61.035 62.100 -0.010 0.000 1.015 877 T CB 1.789 70.652 68.868 -0.008 0.000 1.103 877 T HN 0.037 nan 8.240 nan 0.000 0.496 878 S N 1.826 117.525 115.700 -0.003 0.000 2.573 878 S HA 0.379 4.852 4.470 0.004 0.000 0.277 878 S C -0.476 174.123 174.600 -0.002 0.000 1.346 878 S CA -0.634 57.566 58.200 -0.001 0.000 1.034 878 S CB 0.119 63.320 63.200 0.001 0.000 0.879 878 S HN 0.792 nan 8.310 nan 0.000 0.528 879 Q N 0.798 120.597 119.800 -0.002 0.000 2.421 879 Q HA 0.511 4.853 4.340 0.004 0.000 0.280 879 Q C -0.650 175.344 176.000 -0.011 0.000 1.085 879 Q CA -0.645 55.156 55.803 -0.003 0.000 0.807 879 Q CB 2.178 30.918 28.738 0.003 0.000 1.405 879 Q HN 0.969 nan 8.270 nan 0.000 0.419 880 T N -1.338 113.207 114.554 -0.014 0.000 2.895 880 T HA 0.731 5.083 4.350 0.004 0.000 0.283 880 T C -0.549 174.129 174.700 -0.037 0.000 1.014 880 T CA -0.795 61.290 62.100 -0.026 0.000 1.037 880 T CB 1.162 70.018 68.868 -0.021 0.000 1.006 880 T HN 0.359 nan 8.240 nan 0.000 0.468 881 L N 2.478 123.664 121.223 -0.062 0.000 2.356 881 L HA 0.541 4.883 4.340 0.004 0.000 0.277 881 L C -0.850 175.960 176.870 -0.101 0.000 0.996 881 L CA -0.660 54.129 54.840 -0.086 0.000 0.822 881 L CB 1.685 43.666 42.059 -0.129 0.000 1.256 881 L HN 0.664 nan 8.230 nan 0.000 0.413 882 N N 5.294 123.944 118.700 -0.083 0.000 2.497 882 N HA 0.366 5.108 4.740 0.004 0.000 0.271 882 N C -0.880 174.552 175.510 -0.129 0.000 1.142 882 N CA 0.003 53.005 53.050 -0.079 0.000 0.965 882 N CB 1.185 39.646 38.487 -0.044 0.000 1.077 882 N HN 0.561 nan 8.380 nan 0.000 0.462 883 L N 3.088 124.227 121.223 -0.139 0.000 2.334 883 L HA 0.503 4.845 4.340 0.004 0.000 0.275 883 L C -1.788 175.050 176.870 -0.054 0.000 1.036 883 L CA -1.813 52.885 54.840 -0.238 0.000 0.807 883 L CB 1.006 42.836 42.059 -0.382 0.000 1.231 883 L HN 0.263 nan 8.230 nan 0.000 0.438 884 P HA 0.058 nan 4.420 nan 0.000 0.271 884 P C -0.572 176.928 177.300 0.334 0.000 1.244 884 P CA -0.528 62.683 63.100 0.184 0.000 0.793 884 P CB 0.337 32.199 31.700 0.270 0.000 0.984 885 S N -0.481 115.345 115.700 0.210 0.000 2.569 885 S HA 0.425 4.897 4.470 0.004 0.000 0.274 885 S C 0.638 175.319 174.600 0.134 0.000 1.353 885 S CA 0.275 58.565 58.200 0.150 0.000 1.023 885 S CB -0.672 62.569 63.200 0.068 0.000 0.876 885 S HN 1.059 nan 8.310 nan 0.000 0.540 886 G N 0.815 109.647 108.800 0.053 0.000 2.655 886 G HA2 -0.018 3.945 3.960 0.004 0.000 0.680 886 G HA3 -0.018 3.945 3.960 0.004 0.000 0.680 886 G C -1.035 173.802 174.900 -0.106 0.000 1.302 886 G CA -0.275 44.774 45.100 -0.086 0.000 0.872 886 G HN 1.110 nan 8.290 nan 0.000 0.540 887 D N -0.504 119.779 120.400 -0.194 0.000 2.312 887 D HA 0.545 5.187 4.640 0.004 0.000 0.252 887 D C -0.325 175.782 176.300 -0.321 0.000 1.150 887 D CA 0.068 54.001 54.000 -0.111 0.000 0.870 887 D CB 0.339 41.112 40.800 -0.046 0.000 1.153 887 D HN 0.490 nan 8.370 nan 0.000 0.457 888 W N 2.345 123.634 121.300 -0.019 0.000 2.529 888 W HA 0.361 5.024 4.660 0.004 0.000 0.321 888 W C -0.147 176.263 176.519 -0.183 0.000 1.047 888 W CA -0.808 56.475 57.345 -0.103 0.000 1.216 888 W CB 1.882 31.276 29.460 -0.111 0.000 1.357 888 W HN 0.134 nan 8.180 nan 0.000 0.489 889 T N 4.767 119.251 114.554 -0.117 0.000 2.744 889 T HA 0.418 4.770 4.350 0.004 0.000 0.291 889 T C 0.046 174.602 174.700 -0.241 0.000 0.957 889 T CA -0.505 61.351 62.100 -0.406 0.000 1.002 889 T CB 0.267 68.839 68.868 -0.493 0.000 0.919 889 T HN 0.107 nan 8.240 nan 0.000 0.468 890 I N 3.993 124.437 120.570 -0.210 0.000 2.452 890 I HA 0.100 4.272 4.170 0.004 0.000 0.287 890 I C 1.357 177.400 176.117 -0.122 0.000 1.079 890 I CA -0.089 61.138 61.300 -0.122 0.000 1.387 890 I CB 0.928 38.885 38.000 -0.071 0.000 1.404 890 I HN 0.526 nan 8.210 nan 0.000 0.522 891 V N 2.363 122.220 119.914 -0.095 0.000 3.612 891 V HA 0.495 4.617 4.120 0.004 0.000 0.268 891 V C 0.665 176.780 176.094 0.035 0.000 1.365 891 V CA 0.191 62.473 62.300 -0.031 0.000 1.044 891 V CB 0.397 32.196 31.823 -0.040 0.000 0.820 891 V HN 0.722 nan 8.190 nan 0.000 0.444 892 G N 1.201 110.016 108.800 0.025 0.000 2.737 892 G HA2 0.666 4.628 3.960 0.004 0.000 0.290 892 G HA3 0.666 4.628 3.960 0.004 0.000 0.290 892 G C -1.932 172.999 174.900 0.052 0.000 1.482 892 G CA -0.461 44.670 45.100 0.052 0.000 1.017 892 G HN 0.333 nan 8.290 nan 0.000 0.529 893 L N 3.027 124.296 121.223 0.076 0.000 2.562 893 L HA 0.714 5.057 4.340 0.004 0.000 0.266 893 L C 0.811 177.745 176.870 0.106 0.000 0.949 893 L CA 1.167 56.050 54.840 0.071 0.000 0.879 893 L CB 1.399 43.483 42.059 0.041 0.000 1.278 893 L HN 1.569 nan 8.230 nan 0.000 0.404 894 G N 4.272 113.140 108.800 0.114 0.000 2.622 894 G HA2 -0.408 3.554 3.960 0.004 0.000 0.307 894 G HA3 -0.408 3.554 3.960 0.004 0.000 0.307 894 G C 0.370 175.389 174.900 0.198 0.000 1.226 894 G CA 0.809 45.981 45.100 0.119 0.000 0.997 894 G HN 1.145 nan 8.290 nan 0.000 0.551 895 D N 1.348 121.854 120.400 0.175 0.000 2.336 895 D HA 0.136 4.778 4.640 0.004 0.000 0.229 895 D C 0.986 177.471 176.300 0.309 0.000 1.061 895 D CA 0.805 54.961 54.000 0.259 0.000 0.875 895 D CB -0.054 40.842 40.800 0.159 0.000 0.904 895 D HN 0.679 nan 8.370 nan 0.000 0.525 896 Q N 0.391 120.320 119.800 0.214 0.000 2.348 896 Q HA 0.461 4.803 4.340 0.004 0.000 0.265 896 Q C -0.652 175.406 176.000 0.097 0.000 0.998 896 Q CA -0.592 55.296 55.803 0.141 0.000 0.831 896 Q CB 2.266 31.064 28.738 0.100 0.000 1.251 896 Q HN 0.141 nan 8.270 nan 0.000 0.456 897 I N 1.489 122.078 120.570 0.032 0.000 2.498 897 I HA 0.788 4.960 4.170 0.004 0.000 0.290 897 I C 0.351 176.478 176.117 0.018 0.000 1.032 897 I CA -0.365 60.924 61.300 -0.018 0.000 1.073 897 I CB 1.483 39.365 38.000 -0.197 0.000 1.251 897 I HN 0.807 nan 8.210 nan 0.000 0.426 898 G N 5.142 113.989 108.800 0.078 0.000 2.428 898 G HA2 0.265 4.228 3.960 0.004 0.000 0.305 898 G HA3 0.265 4.228 3.960 0.004 0.000 0.305 898 G C -0.277 174.760 174.900 0.228 0.000 1.260 898 G CA -0.228 44.941 45.100 0.115 0.000 0.853 898 G HN 0.387 nan 8.290 nan 0.000 0.480 899 E N -0.021 120.321 120.200 0.237 0.000 2.472 899 E HA 0.113 4.466 4.350 0.004 0.000 0.196 899 E C 0.400 177.194 176.600 0.323 0.000 1.033 899 E CA 0.497 57.126 56.400 0.382 0.000 0.886 899 E CB 0.516 30.387 29.700 0.284 0.000 0.944 899 E HN 0.346 nan 8.360 nan 0.000 0.492 900 K N 0.870 121.380 120.400 0.183 0.000 2.098 900 K HA 0.264 4.587 4.320 0.004 0.000 0.258 900 K C 0.117 176.752 176.600 0.059 0.000 0.973 900 K CA -0.398 55.961 56.287 0.120 0.000 0.898 900 K CB 1.649 34.204 32.500 0.091 0.000 1.057 900 K HN -0.193 nan 8.250 nan 0.000 0.447 901 S N 1.885 117.601 115.700 0.027 0.000 2.525 901 S HA 0.062 4.534 4.470 0.004 0.000 0.285 901 S C 0.665 175.257 174.600 -0.013 0.000 1.283 901 S CA -0.397 57.776 58.200 -0.044 0.000 1.072 901 S CB 0.019 63.205 63.200 -0.023 0.000 0.867 901 S HN 0.521 nan 8.310 nan 0.000 0.492 902 L N 4.850 126.049 121.223 -0.041 0.000 2.667 902 L HA 0.433 4.775 4.340 0.004 0.000 0.232 902 L C 1.058 177.925 176.870 -0.005 0.000 1.138 902 L CA 0.050 54.887 54.840 -0.005 0.000 0.921 902 L CB -0.486 41.574 42.059 0.002 0.000 1.180 902 L HN 0.911 nan 8.230 nan 0.000 0.487 903 G N -0.778 108.003 108.800 -0.032 0.000 2.317 903 G HA2 0.020 3.983 3.960 0.004 0.000 0.445 903 G HA3 0.020 3.983 3.960 0.004 0.000 0.445 903 G C -1.390 173.457 174.900 -0.088 0.000 1.486 903 G CA -0.898 44.215 45.100 0.021 0.000 0.991 903 G HN 0.050 nan 8.290 nan 0.000 0.660 904 H N -0.806 118.272 119.070 0.013 0.000 2.492 904 H HA 0.738 5.297 4.556 0.004 0.000 0.345 904 H C 0.041 175.391 175.328 0.037 0.000 1.136 904 H CA -0.096 55.965 56.048 0.021 0.000 1.202 904 H CB 2.277 32.042 29.762 0.004 0.000 1.524 904 H HN 1.028 nan 8.280 nan 0.000 0.506 905 V N 0.242 120.253 119.914 0.162 0.000 3.114 905 V HA 0.636 4.758 4.120 0.004 0.000 0.308 905 V C -0.624 175.578 176.094 0.180 0.000 1.168 905 V CA -1.034 61.344 62.300 0.130 0.000 1.015 905 V CB 2.583 34.450 31.823 0.072 0.000 1.050 905 V HN 0.658 nan 8.190 nan 0.000 0.433 906 M N 1.688 121.370 119.600 0.137 0.000 2.572 906 M HA 0.779 5.261 4.480 0.004 0.000 0.299 906 M C 1.009 177.367 176.300 0.097 0.000 1.205 906 M CA 0.165 55.562 55.300 0.162 0.000 0.876 906 M CB 2.134 34.804 32.600 0.116 0.000 1.728 906 M HN 1.441 nan 8.290 nan 0.000 0.458 907 G N 2.061 110.919 108.800 0.097 0.000 3.329 907 G HA2 -0.296 3.666 3.960 0.004 0.000 0.220 907 G HA3 -0.296 3.666 3.960 0.004 0.000 0.220 907 G C -0.137 174.758 174.900 -0.009 0.000 1.358 907 G CA 0.681 45.806 45.100 0.041 0.000 0.856 907 G HN 0.733 nan 8.290 nan 0.000 0.551 908 N N -1.671 117.018 118.700 -0.018 0.000 2.484 908 N HA 0.629 5.372 4.740 0.004 0.000 0.269 908 N C -1.579 173.902 175.510 -0.048 0.000 1.237 908 N CA 0.251 53.275 53.050 -0.044 0.000 0.838 908 N CB 2.587 41.060 38.487 -0.024 0.000 1.593 908 N HN 0.915 nan 8.380 nan 0.000 0.485 909 V N 1.415 121.287 119.914 -0.070 0.000 3.012 909 V HA 0.480 4.603 4.120 0.004 0.000 0.307 909 V C -1.406 174.657 176.094 -0.051 0.000 1.166 909 V CA -0.520 61.743 62.300 -0.061 0.000 0.974 909 V CB 2.035 33.802 31.823 -0.094 0.000 1.040 909 V HN 0.775 nan 8.190 nan 0.000 0.428 910 Q N 3.257 123.038 119.800 -0.031 0.000 2.257 910 Q HA 0.672 5.014 4.340 0.004 0.000 0.255 910 Q C -1.550 174.438 176.000 -0.019 0.000 0.920 910 Q CA -0.512 55.279 55.803 -0.021 0.000 0.927 910 Q CB 1.880 30.613 28.738 -0.009 0.000 1.229 910 Q HN 0.673 nan 8.270 nan 0.000 0.433 911 V N 7.041 126.946 119.914 -0.015 0.000 2.347 911 V HA 0.352 4.474 4.120 0.004 0.000 0.280 911 V C -2.164 173.935 176.094 0.009 0.000 1.021 911 V CA -1.923 60.374 62.300 -0.004 0.000 0.847 911 V CB 1.079 32.898 31.823 -0.006 0.000 0.990 911 V HN 0.829 nan 8.190 nan 0.000 0.444 912 P HA 0.112 nan 4.420 nan 0.000 0.269 912 P C -0.036 177.274 177.300 0.016 0.000 1.217 912 P CA 0.030 63.141 63.100 0.019 0.000 0.783 912 P CB 0.475 32.192 31.700 0.028 0.000 0.898 913 A N 3.087 125.911 122.820 0.008 0.000 2.561 913 A HA 0.094 4.417 4.320 0.004 0.000 0.234 913 A C 0.721 178.304 177.584 -0.002 0.000 1.055 913 A CA -0.043 51.993 52.037 -0.002 0.000 0.756 913 A CB -1.185 17.812 19.000 -0.005 0.000 0.986 913 A HN 0.688 nan 8.150 nan 0.000 0.505 914 I N 0.581 121.141 120.570 -0.017 0.000 6.373 914 I HA -0.295 3.877 4.170 0.004 0.000 0.126 914 I C 0.555 176.674 176.117 0.004 0.000 1.554 914 I CA 0.870 62.154 61.300 -0.025 0.000 2.468 914 I CB -2.331 35.648 38.000 -0.034 0.000 2.951 914 I HN 0.891 nan 8.210 nan 0.000 0.282 915 S N 0.927 116.651 115.700 0.041 0.000 2.656 915 S HA 0.764 5.236 4.470 0.004 0.000 0.273 915 S C -0.512 174.183 174.600 0.157 0.000 1.168 915 S CA -0.709 57.544 58.200 0.088 0.000 0.817 915 S CB 2.740 65.987 63.200 0.078 0.000 1.146 915 S HN 0.141 nan 8.310 nan 0.000 0.475 916 T N 1.771 116.452 114.554 0.213 0.000 2.792 916 T HA 0.606 4.958 4.350 0.004 0.000 0.280 916 T C -0.928 173.855 174.700 0.138 0.000 0.990 916 T CA -0.399 61.843 62.100 0.238 0.000 0.960 916 T CB 1.044 70.126 68.868 0.356 0.000 0.939 916 T HN 0.681 nan 8.240 nan 0.000 0.439 917 L N 4.906 126.157 121.223 0.048 0.000 2.307 917 L HA 0.710 5.053 4.340 0.004 0.000 0.282 917 L C -1.222 175.618 176.870 -0.051 0.000 1.051 917 L CA -0.316 54.518 54.840 -0.010 0.000 0.804 917 L CB 0.462 42.484 42.059 -0.061 0.000 1.197 917 L HN 0.617 nan 8.230 nan 0.000 0.431 918 I N 6.113 126.667 120.570 -0.027 0.000 2.466 918 I HA 0.429 4.602 4.170 0.004 0.000 0.289 918 I C -0.918 175.161 176.117 -0.063 0.000 1.026 918 I CA -0.503 60.779 61.300 -0.030 0.000 1.078 918 I CB 1.730 39.773 38.000 0.072 0.000 1.249 918 I HN 0.512 nan 8.210 nan 0.000 0.429 919 L N 5.799 126.964 121.223 -0.097 0.000 2.333 919 L HA 0.686 5.028 4.340 0.004 0.000 0.263 919 L C -0.830 176.022 176.870 -0.031 0.000 1.014 919 L CA -0.878 53.921 54.840 -0.068 0.000 0.820 919 L CB 2.223 44.240 42.059 -0.069 0.000 1.352 919 L HN 0.554 nan 8.230 nan 0.000 0.421 920 K N 0.385 120.728 120.400 -0.094 0.000 2.509 920 K HA 0.732 5.054 4.320 0.004 0.000 0.266 920 K C -1.284 175.126 176.600 -0.317 0.000 0.987 920 K CA -0.806 55.330 56.287 -0.253 0.000 0.868 920 K CB 2.237 34.117 32.500 -1.034 0.000 1.421 920 K HN 0.538 nan 8.250 nan 0.000 0.444 921 Q N 0.000 119.512 119.800 -0.479 0.000 2.315 921 Q HA 0.000 4.342 4.340 0.004 0.000 0.214 921 Q CA 0.000 55.418 55.803 -0.642 0.000 1.022 921 Q CB 0.000 28.008 28.738 -1.217 0.000 1.108 921 Q HN 0.000 nan 8.270 nan 0.000 0.481