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 2dq3_1_B DATA FIRST_RESID 2 DATA SEQUENCE IDINLIREKP DYVKERLATR DKELVSLVDK VLELDKRRRE IIKRLEALRS DATA SEQUENCE ERNKLSKEIG KLKREGKDTT EIQNRVKELK EEIDRLEEEL RKVEEELKNT DATA SEQUENCE LLWIPNLPHP SVPVGEDEKD NVEVRRWGEP RKFDFEPKPH WEIGERLGIL DATA SEQUENCE DFKRGAKLSG SRFTVIAGWG ARLERALINF XLDLHTKKGY KEICPPHLVK DATA SEQUENCE PEILIGTGQL PKFEEDLYKC ERDNLYLIPT AEVPLTNLYR EEILKEENLP DATA SEQUENCE IYLTAYTPCY RREAGAYGKD IRGIIRQHQF DKVELVKIVH PDTSYDELEK DATA SEQUENCE LVKDAEEVLQ LLGLPYRVVE LCTGDLGFSA AKTYDIEVWF PSQNKYREIS DATA SEQUENCE SCSNCEDFQA RRXNTRFKDS KTGKNRFVHT LNGSGLAVGR TLAAILENYQ DATA SEQUENCE QEDGSVVVPE VLRDYVGTDV IRPE 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.122 176.117 0.009 0.000 1.063 2 I CA 0.000 61.303 61.300 0.006 0.000 1.566 2 I CB 0.000 38.050 38.000 0.083 0.000 1.214 3 D N 2.854 123.289 120.400 0.059 0.000 2.341 3 D HA 0.176 4.816 4.640 -0.000 0.000 0.245 3 D C 0.895 177.230 176.300 0.059 0.000 1.106 3 D CA -0.413 53.629 54.000 0.071 0.000 0.905 3 D CB 2.667 43.534 40.800 0.111 0.000 1.202 3 D HN 0.744 nan 8.370 nan 0.000 0.426 4 I N 1.129 121.730 120.570 0.051 0.000 2.830 4 I HA -0.229 3.941 4.170 -0.000 0.000 0.263 4 I C 1.349 177.494 176.117 0.047 0.000 1.230 4 I CA 0.381 61.708 61.300 0.044 0.000 1.480 4 I CB -0.077 37.946 38.000 0.037 0.000 1.095 4 I HN 0.291 nan 8.210 nan 0.000 0.455 5 N N 0.960 119.692 118.700 0.053 0.000 2.171 5 N HA -0.163 4.576 4.740 -0.000 0.000 0.184 5 N C 1.916 177.460 175.510 0.058 0.000 1.021 5 N CA 0.915 53.995 53.050 0.050 0.000 0.854 5 N CB -0.380 38.136 38.487 0.049 0.000 0.994 5 N HN 0.308 nan 8.380 nan 0.000 0.426 6 L N 1.913 123.179 121.223 0.071 0.000 2.081 6 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 6 L C 1.969 178.888 176.870 0.080 0.000 1.080 6 L CA 1.307 56.200 54.840 0.088 0.000 0.754 6 L CB -0.700 41.420 42.059 0.102 0.000 0.893 6 L HN 0.067 nan 8.230 nan 0.000 0.433 7 I N 0.384 120.990 120.570 0.061 0.000 2.163 7 I HA -0.258 3.912 4.170 -0.000 0.000 0.240 7 I C 2.672 178.818 176.117 0.047 0.000 1.081 7 I CA 1.368 62.697 61.300 0.049 0.000 1.353 7 I CB -1.126 36.898 38.000 0.039 0.000 1.054 7 I HN 0.418 nan 8.210 nan 0.000 0.407 8 R N 1.103 121.628 120.500 0.042 0.000 2.189 8 R HA -0.048 4.292 4.340 -0.000 0.000 0.218 8 R C 1.536 177.859 176.300 0.038 0.000 1.074 8 R CA 0.905 57.026 56.100 0.036 0.000 0.991 8 R CB -0.431 29.887 30.300 0.030 0.000 0.883 8 R HN 0.421 nan 8.270 nan 0.000 0.457 9 E N 0.647 120.875 120.200 0.046 0.000 2.318 9 E HA -0.001 4.349 4.350 -0.000 0.000 0.193 9 E C 0.199 176.831 176.600 0.053 0.000 0.998 9 E CA 0.570 56.997 56.400 0.045 0.000 0.859 9 E CB 0.381 30.109 29.700 0.046 0.000 0.812 9 E HN 0.014 nan 8.360 nan 0.000 0.492 10 K N -0.348 120.096 120.400 0.073 0.000 3.481 10 K HA 0.089 4.409 4.320 -0.000 0.000 0.166 10 K C -2.276 174.389 176.600 0.108 0.000 1.032 10 K CA -0.747 55.597 56.287 0.094 0.000 0.776 10 K CB 0.816 33.392 32.500 0.128 0.000 0.797 10 K HN -0.143 nan 8.250 nan 0.000 0.516 11 P HA -0.258 nan 4.420 nan 0.000 0.218 11 P C 0.171 177.506 177.300 0.057 0.000 1.146 11 P CA 1.439 64.570 63.100 0.052 0.000 0.820 11 P CB 0.294 32.016 31.700 0.037 0.000 0.778 12 D N -0.062 120.383 120.400 0.075 0.000 2.137 12 D HA -0.257 4.383 4.640 -0.000 0.000 0.193 12 D C 2.222 178.595 176.300 0.122 0.000 0.993 12 D CA 1.130 55.179 54.000 0.081 0.000 0.846 12 D CB -1.489 39.358 40.800 0.079 0.000 0.990 12 D HN 0.255 nan 8.370 nan 0.000 0.448 13 Y N 2.078 122.381 120.300 0.004 0.000 2.062 13 Y HA -0.342 4.208 4.550 -0.000 0.000 0.276 13 Y C 2.670 178.572 175.900 0.004 0.000 1.189 13 Y CA 1.688 59.789 58.100 0.001 0.000 1.130 13 Y CB -0.259 38.202 38.460 0.001 0.000 0.959 13 Y HN -0.203 nan 8.280 nan 0.000 0.499 14 V N 1.146 121.002 119.914 -0.096 0.000 2.250 14 V HA -0.424 3.696 4.120 -0.000 0.000 0.250 14 V C 2.237 178.244 176.094 -0.144 0.000 1.060 14 V CA 2.548 64.725 62.300 -0.204 0.000 1.030 14 V CB -0.730 31.052 31.823 -0.068 0.000 0.643 14 V HN 0.431 nan 8.190 nan 0.000 0.445 15 K N 0.199 120.568 120.400 -0.053 0.000 2.152 15 K HA -0.255 4.065 4.320 -0.000 0.000 0.206 15 K C 2.113 178.693 176.600 -0.033 0.000 1.048 15 K CA 1.864 58.133 56.287 -0.030 0.000 0.933 15 K CB -0.242 32.257 32.500 -0.001 0.000 0.721 15 K HN 0.811 nan 8.250 nan 0.000 0.447 16 E N 0.744 120.929 120.200 -0.025 0.000 2.152 16 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 16 E C 1.961 178.533 176.600 -0.046 0.000 0.983 16 E CA 0.778 57.175 56.400 -0.005 0.000 0.818 16 E CB -0.027 29.708 29.700 0.057 0.000 0.758 16 E HN 0.020 nan 8.360 nan 0.000 0.467 17 R N 0.248 120.663 120.500 -0.141 0.000 2.062 17 R HA 0.059 4.399 4.340 -0.000 0.000 0.229 17 R C 2.145 178.374 176.300 -0.118 0.000 1.128 17 R CA 0.822 56.816 56.100 -0.176 0.000 0.960 17 R CB -0.628 29.442 30.300 -0.383 0.000 0.855 17 R HN 0.288 nan 8.270 nan 0.000 0.432 18 L N 0.648 121.804 121.223 -0.111 0.000 2.191 18 L HA -0.045 4.295 4.340 -0.000 0.000 0.212 18 L C 2.334 179.183 176.870 -0.035 0.000 1.103 18 L CA 1.430 56.231 54.840 -0.065 0.000 0.769 18 L CB -1.399 40.634 42.059 -0.043 0.000 0.908 18 L HN 0.112 nan 8.230 nan 0.000 0.438 19 A N -0.333 122.467 122.820 -0.033 0.000 2.019 19 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 19 A C 2.329 179.906 177.584 -0.011 0.000 1.164 19 A CA 1.920 53.948 52.037 -0.014 0.000 0.644 19 A CB -0.670 18.325 19.000 -0.009 0.000 0.805 19 A HN 0.531 nan 8.150 nan 0.000 0.449 20 T N -3.458 111.084 114.554 -0.020 0.000 3.055 20 T HA 0.005 4.355 4.350 -0.000 0.000 0.265 20 T C 1.895 176.588 174.700 -0.012 0.000 1.111 20 T CA 0.951 63.043 62.100 -0.014 0.000 1.118 20 T CB -0.184 68.673 68.868 -0.018 0.000 0.909 20 T HN 0.423 nan 8.240 nan 0.000 0.501 21 R N 0.538 121.028 120.500 -0.015 0.000 2.105 21 R HA 0.227 4.567 4.340 -0.000 0.000 0.214 21 R C -0.272 176.037 176.300 0.016 0.000 1.091 21 R CA 0.839 56.937 56.100 -0.003 0.000 1.007 21 R CB 0.150 30.443 30.300 -0.012 0.000 0.912 21 R HN 0.418 nan 8.270 nan 0.000 0.450 22 D N -0.526 119.883 120.400 0.015 0.000 2.633 22 D HA 0.005 4.645 4.640 -0.000 0.000 0.198 22 D C -0.308 176.000 176.300 0.014 0.000 1.273 22 D CA -0.202 53.812 54.000 0.022 0.000 0.830 22 D CB 1.067 41.891 40.800 0.041 0.000 1.771 22 D HN -0.063 nan 8.370 nan 0.000 0.547 23 K N 1.787 122.192 120.400 0.010 0.000 2.515 23 K HA 0.019 4.339 4.320 -0.000 0.000 0.196 23 K C 1.043 177.645 176.600 0.004 0.000 1.038 23 K CA 0.967 57.257 56.287 0.005 0.000 0.967 23 K CB 0.272 32.774 32.500 0.004 0.000 0.780 23 K HN 0.114 nan 8.250 nan 0.000 0.483 24 E N 0.580 120.784 120.200 0.007 0.000 2.502 24 E HA 0.122 4.472 4.350 -0.000 0.000 0.194 24 E C 1.133 177.736 176.600 0.005 0.000 1.062 24 E CA 0.271 56.672 56.400 0.002 0.000 0.867 24 E CB -0.036 29.665 29.700 0.003 0.000 0.888 24 E HN 0.415 nan 8.360 nan 0.000 0.510 25 L N -0.681 120.550 121.223 0.014 0.000 2.249 25 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 25 L C 2.257 179.133 176.870 0.010 0.000 1.090 25 L CA 0.659 55.513 54.840 0.023 0.000 0.802 25 L CB -0.474 41.604 42.059 0.032 0.000 0.947 25 L HN 0.161 nan 8.230 nan 0.000 0.453 26 V N -3.147 116.769 119.914 0.002 0.000 2.428 26 V HA -0.348 3.772 4.120 -0.000 0.000 0.255 26 V C 2.552 178.645 176.094 -0.002 0.000 1.080 26 V CA 2.283 64.582 62.300 -0.001 0.000 1.083 26 V CB -1.119 30.703 31.823 -0.002 0.000 0.665 26 V HN 0.462 nan 8.190 nan 0.000 0.461 27 S N -0.087 115.609 115.700 -0.006 0.000 2.382 27 S HA -0.090 4.379 4.470 -0.000 0.000 0.228 27 S C 1.967 176.560 174.600 -0.011 0.000 1.027 27 S CA 1.606 59.798 58.200 -0.013 0.000 0.991 27 S CB -0.463 62.723 63.200 -0.024 0.000 0.823 27 S HN 0.581 nan 8.310 nan 0.000 0.469 28 L N 1.346 122.566 121.223 -0.005 0.000 2.043 28 L HA -0.083 4.256 4.340 -0.000 0.000 0.212 28 L C 2.550 179.428 176.870 0.014 0.000 1.075 28 L CA 1.438 56.281 54.840 0.005 0.000 0.752 28 L CB -1.386 40.695 42.059 0.036 0.000 0.891 28 L HN 0.298 nan 8.230 nan 0.000 0.432 29 V N -0.116 119.806 119.914 0.014 0.000 2.407 29 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 29 V C 2.211 178.311 176.094 0.011 0.000 1.055 29 V CA 1.704 64.013 62.300 0.014 0.000 1.049 29 V CB -0.442 31.386 31.823 0.009 0.000 0.662 29 V HN 0.406 nan 8.190 nan 0.000 0.455 30 D N -0.327 120.076 120.400 0.004 0.000 2.144 30 D HA -0.150 4.489 4.640 -0.000 0.000 0.200 30 D C 2.183 178.483 176.300 -0.000 0.000 0.978 30 D CA 1.111 55.112 54.000 0.002 0.000 0.833 30 D CB -0.153 40.645 40.800 -0.003 0.000 0.961 30 D HN 0.377 nan 8.370 nan 0.000 0.470 31 K N 0.994 121.391 120.400 -0.005 0.000 2.097 31 K HA -0.109 4.210 4.320 -0.000 0.000 0.205 31 K C 2.097 178.698 176.600 0.002 0.000 1.050 31 K CA 0.939 57.221 56.287 -0.008 0.000 0.938 31 K CB 0.135 32.622 32.500 -0.021 0.000 0.718 31 K HN 0.111 nan 8.250 nan 0.000 0.442 32 V N -0.661 119.259 119.914 0.011 0.000 2.548 32 V HA -0.127 3.993 4.120 -0.000 0.000 0.249 32 V C 1.920 178.024 176.094 0.016 0.000 1.055 32 V CA 1.119 63.430 62.300 0.019 0.000 1.065 32 V CB -0.369 31.471 31.823 0.029 0.000 0.681 32 V HN 0.191 nan 8.190 nan 0.000 0.462 33 L N 0.139 121.371 121.223 0.014 0.000 2.044 33 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 33 L C 2.828 179.704 176.870 0.010 0.000 1.075 33 L CA 2.236 57.084 54.840 0.014 0.000 0.747 33 L CB -0.641 41.426 42.059 0.014 0.000 0.903 33 L HN 0.363 nan 8.230 nan 0.000 0.435 34 E N 0.078 120.281 120.200 0.006 0.000 2.204 34 E HA -0.221 4.128 4.350 -0.000 0.000 0.195 34 E C 2.142 178.745 176.600 0.004 0.000 0.990 34 E CA 0.950 57.352 56.400 0.003 0.000 0.821 34 E CB 0.105 29.804 29.700 -0.001 0.000 0.750 34 E HN 0.266 nan 8.360 nan 0.000 0.477 35 L N 0.017 121.243 121.223 0.005 0.000 2.162 35 L HA -0.041 4.298 4.340 -0.000 0.000 0.205 35 L C 1.912 178.788 176.870 0.010 0.000 1.086 35 L CA 1.405 56.249 54.840 0.007 0.000 0.778 35 L CB -0.083 41.980 42.059 0.008 0.000 0.928 35 L HN 0.111 nan 8.230 nan 0.000 0.446 36 D N -0.431 119.976 120.400 0.013 0.000 2.144 36 D HA -0.245 4.394 4.640 -0.000 0.000 0.199 36 D C 2.223 178.531 176.300 0.012 0.000 0.984 36 D CA 1.172 55.181 54.000 0.014 0.000 0.834 36 D CB 0.173 40.984 40.800 0.018 0.000 0.955 36 D HN 0.130 nan 8.370 nan 0.000 0.465 37 K N 0.242 120.648 120.400 0.010 0.000 1.984 37 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 37 K C 2.352 178.956 176.600 0.007 0.000 1.046 37 K CA 0.947 57.239 56.287 0.009 0.000 0.934 37 K CB -0.141 32.364 32.500 0.007 0.000 0.717 37 K HN -0.053 nan 8.250 nan 0.000 0.438 38 R N 0.556 121.059 120.500 0.006 0.000 2.139 38 R HA -0.160 4.180 4.340 -0.000 0.000 0.243 38 R C 2.498 178.801 176.300 0.006 0.000 1.145 38 R CA 1.485 57.587 56.100 0.005 0.000 0.976 38 R CB -0.141 30.161 30.300 0.003 0.000 0.866 38 R HN 0.186 nan 8.270 nan 0.000 0.449 39 R N 0.796 121.301 120.500 0.008 0.000 2.062 39 R HA -0.068 4.272 4.340 -0.000 0.000 0.226 39 R C 1.889 178.194 176.300 0.009 0.000 1.125 39 R CA 1.313 57.418 56.100 0.009 0.000 0.966 39 R CB -0.145 30.161 30.300 0.011 0.000 0.861 39 R HN 0.243 nan 8.270 nan 0.000 0.433 40 R N 0.444 120.950 120.500 0.009 0.000 2.152 40 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 40 R C 2.133 178.437 176.300 0.007 0.000 1.117 40 R CA 1.514 57.619 56.100 0.009 0.000 0.981 40 R CB -0.088 30.218 30.300 0.010 0.000 0.870 40 R HN 0.460 nan 8.270 nan 0.000 0.451 41 E N 0.784 120.988 120.200 0.006 0.000 2.046 41 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 41 E C 2.019 178.622 176.600 0.005 0.000 0.982 41 E CA 0.907 57.310 56.400 0.005 0.000 0.800 41 E CB -0.058 29.645 29.700 0.004 0.000 0.756 41 E HN 0.290 nan 8.360 nan 0.000 0.449 42 I N 1.279 121.852 120.570 0.005 0.000 2.226 42 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 42 I C 2.372 178.492 176.117 0.005 0.000 1.100 42 I CA 1.106 62.409 61.300 0.005 0.000 1.374 42 I CB -0.259 37.745 38.000 0.005 0.000 1.057 42 I HN 0.109 nan 8.210 nan 0.000 0.413 43 I N 0.525 121.099 120.570 0.006 0.000 2.315 43 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 43 I C 2.615 178.735 176.117 0.005 0.000 1.117 43 I CA 1.344 62.648 61.300 0.006 0.000 1.404 43 I CB -0.355 37.650 38.000 0.007 0.000 1.071 43 I HN 0.221 nan 8.210 nan 0.000 0.419 44 K N 1.191 121.594 120.400 0.005 0.000 2.007 44 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 44 K C 2.375 178.978 176.600 0.004 0.000 1.047 44 K CA 1.150 57.440 56.287 0.004 0.000 0.937 44 K CB -0.044 32.459 32.500 0.004 0.000 0.718 44 K HN 0.039 nan 8.250 nan 0.000 0.438 45 R N 0.694 121.196 120.500 0.004 0.000 2.105 45 R HA -0.102 4.238 4.340 -0.000 0.000 0.239 45 R C 2.215 178.517 176.300 0.003 0.000 1.135 45 R CA 1.184 57.286 56.100 0.003 0.000 0.967 45 R CB -0.212 30.090 30.300 0.003 0.000 0.861 45 R HN 0.207 nan 8.270 nan 0.000 0.442 46 L N 0.614 121.839 121.223 0.003 0.000 2.017 46 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 46 L C 2.359 179.231 176.870 0.003 0.000 1.073 46 L CA 1.227 56.069 54.840 0.003 0.000 0.745 46 L CB -0.406 41.656 42.059 0.004 0.000 0.894 46 L HN 0.231 nan 8.230 nan 0.000 0.432 47 E N 0.013 120.215 120.200 0.003 0.000 2.209 47 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 47 E C 2.055 178.657 176.600 0.003 0.000 0.993 47 E CA 1.269 57.670 56.400 0.003 0.000 0.819 47 E CB -0.133 29.569 29.700 0.003 0.000 0.745 47 E HN 0.522 nan 8.360 nan 0.000 0.477 48 A N 0.835 123.656 122.820 0.003 0.000 1.843 48 A HA -0.096 4.224 4.320 -0.000 0.000 0.213 48 A C 2.091 179.677 177.584 0.002 0.000 1.202 48 A CA 0.678 52.717 52.037 0.002 0.000 0.607 48 A CB -0.401 18.601 19.000 0.002 0.000 0.847 48 A HN 0.133 nan 8.150 nan 0.000 0.445 49 L N 0.164 121.388 121.223 0.002 0.000 2.079 49 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 49 L C 2.503 179.374 176.870 0.002 0.000 1.081 49 L CA 1.742 56.583 54.840 0.002 0.000 0.752 49 L CB -1.457 40.603 42.059 0.002 0.000 0.896 49 L HN 0.375 nan 8.230 nan 0.000 0.433 50 R N -1.196 119.305 120.500 0.002 0.000 2.092 50 R HA -0.079 4.261 4.340 -0.000 0.000 0.231 50 R C 2.475 178.776 176.300 0.002 0.000 1.119 50 R CA 1.341 57.443 56.100 0.002 0.000 0.970 50 R CB -0.265 30.037 30.300 0.003 0.000 0.864 50 R HN 0.255 nan 8.270 nan 0.000 0.440 51 S N 0.664 116.365 115.700 0.002 0.000 2.357 51 S HA -0.110 4.360 4.470 -0.000 0.000 0.221 51 S C 1.635 176.236 174.600 0.001 0.000 1.031 51 S CA 1.110 59.311 58.200 0.002 0.000 0.982 51 S CB -0.033 63.167 63.200 0.002 0.000 0.853 51 S HN 0.360 nan 8.310 nan 0.000 0.458 52 E N 1.005 121.206 120.200 0.002 0.000 2.085 52 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 52 E C 2.291 178.891 176.600 0.001 0.000 0.994 52 E CA 0.833 57.233 56.400 0.001 0.000 0.801 52 E CB -0.171 29.530 29.700 0.001 0.000 0.743 52 E HN 0.339 nan 8.360 nan 0.000 0.453 53 R N 1.014 121.515 120.500 0.001 0.000 2.070 53 R HA -0.132 4.208 4.340 -0.000 0.000 0.233 53 R C 1.949 178.250 176.300 0.001 0.000 1.137 53 R CA 1.476 57.576 56.100 0.001 0.000 0.945 53 R CB -0.099 30.201 30.300 0.002 0.000 0.845 53 R HN 0.121 nan 8.270 nan 0.000 0.430 54 N N 1.039 119.739 118.700 0.001 0.000 2.289 54 N HA -0.176 4.564 4.740 -0.000 0.000 0.184 54 N C 1.580 177.091 175.510 0.001 0.000 1.016 54 N CA 0.990 54.041 53.050 0.001 0.000 0.872 54 N CB -0.127 38.360 38.487 0.001 0.000 0.973 54 N HN 0.337 nan 8.380 nan 0.000 0.433 55 K N 1.121 121.522 120.400 0.001 0.000 2.001 55 K HA -0.026 4.294 4.320 -0.000 0.000 0.208 55 K C 2.059 178.659 176.600 0.001 0.000 1.048 55 K CA 0.781 57.069 56.287 0.001 0.000 0.932 55 K CB -0.022 32.479 32.500 0.001 0.000 0.715 55 K HN 0.066 nan 8.250 nan 0.000 0.437 56 L N 0.375 121.598 121.223 0.001 0.000 2.056 56 L HA -0.130 4.209 4.340 -0.000 0.000 0.207 56 L C 2.485 179.355 176.870 0.001 0.000 1.078 56 L CA 1.033 55.873 54.840 0.001 0.000 0.749 56 L CB -0.446 41.613 42.059 0.001 0.000 0.901 56 L HN 0.153 nan 8.230 nan 0.000 0.433 57 S N -0.371 115.329 115.700 0.001 0.000 2.400 57 S HA -0.171 4.299 4.470 -0.000 0.000 0.232 57 S C 2.040 176.640 174.600 0.001 0.000 1.025 57 S CA 1.166 59.367 58.200 0.001 0.000 0.993 57 S CB -0.154 63.047 63.200 0.001 0.000 0.808 57 S HN 0.236 nan 8.310 nan 0.000 0.478 58 K N 1.466 121.867 120.400 0.001 0.000 2.103 58 K HA 0.013 4.333 4.320 -0.000 0.000 0.204 58 K C 2.042 178.643 176.600 0.001 0.000 1.052 58 K CA 1.115 57.402 56.287 0.001 0.000 0.945 58 K CB -0.255 32.245 32.500 0.001 0.000 0.722 58 K HN 0.490 nan 8.250 nan 0.000 0.443 59 E N 0.699 120.899 120.200 0.001 0.000 2.208 59 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 59 E C 1.785 178.385 176.600 0.001 0.000 0.988 59 E CA 0.814 57.215 56.400 0.001 0.000 0.828 59 E CB -0.018 29.683 29.700 0.001 0.000 0.763 59 E HN 0.452 nan 8.360 nan 0.000 0.478 60 I N -3.563 117.007 120.570 0.001 0.000 3.793 60 I HA 0.309 4.479 4.170 -0.000 0.000 0.315 60 I C 1.611 177.728 176.117 0.001 0.000 1.275 60 I CA 0.517 61.817 61.300 0.001 0.000 1.214 60 I CB 0.392 38.392 38.000 0.001 0.000 1.018 60 I HN -0.006 nan 8.210 nan 0.000 0.439 61 G N 1.384 110.185 108.800 0.001 0.000 2.608 61 G HA2 -0.064 3.895 3.960 -0.000 0.000 0.210 61 G HA3 -0.064 3.895 3.960 -0.000 0.000 0.210 61 G C 1.489 176.390 174.900 0.001 0.000 1.139 61 G CA -0.014 45.087 45.100 0.001 0.000 0.812 61 G HN 0.178 nan 8.290 nan 0.000 0.529 62 K N 0.208 120.608 120.400 0.001 0.000 2.400 62 K HA 0.309 4.629 4.320 -0.000 0.000 0.194 62 K C 1.910 178.510 176.600 0.000 0.000 1.033 62 K CA 0.145 56.432 56.287 0.001 0.000 1.021 62 K CB -0.215 32.285 32.500 0.001 0.000 0.808 62 K HN 0.287 nan 8.250 nan 0.000 0.505 63 L N 0.663 121.886 121.223 0.000 0.000 2.567 63 L HA 0.082 4.422 4.340 -0.000 0.000 0.225 63 L C 1.500 178.370 176.870 0.000 0.000 1.119 63 L CA 0.396 55.236 54.840 0.000 0.000 0.871 63 L CB -0.116 41.944 42.059 0.000 0.000 1.036 63 L HN 0.117 nan 8.230 nan 0.000 0.459 64 K N -0.115 120.285 120.400 0.000 0.000 2.442 64 K HA -0.126 4.193 4.320 -0.000 0.000 0.198 64 K C 0.649 177.250 176.600 0.000 0.000 1.042 64 K CA 0.542 56.829 56.287 0.000 0.000 0.958 64 K CB -0.217 32.283 32.500 0.000 0.000 0.766 64 K HN 0.251 nan 8.250 nan 0.000 0.474 65 R N 2.769 123.270 120.500 0.000 0.000 4.164 65 R HA 0.082 4.422 4.340 -0.000 0.000 0.195 65 R C -0.860 175.440 176.300 0.000 0.000 1.712 65 R CA -0.088 56.012 56.100 0.000 0.000 1.457 65 R CB -0.231 30.069 30.300 0.000 0.000 1.387 65 R HN 0.190 nan 8.270 nan 0.000 0.785 66 E N -0.021 120.179 120.200 0.000 0.000 7.199 66 E HA -0.150 4.200 4.350 -0.000 0.000 0.263 66 E C -0.294 176.307 176.600 0.000 0.000 1.009 66 E CA 1.351 57.751 56.400 0.000 0.000 1.473 66 E CB -0.861 28.839 29.700 0.000 0.000 0.927 66 E HN 0.819 nan 8.360 nan 0.000 0.276 67 G N 1.807 110.607 108.800 0.000 0.000 2.384 67 G HA2 0.371 4.331 3.960 -0.000 0.000 0.300 67 G HA3 0.371 4.331 3.960 -0.000 0.000 0.300 67 G C -0.137 174.763 174.900 0.000 0.000 1.582 67 G CA -0.408 44.692 45.100 0.000 0.000 0.875 67 G HN 0.157 nan 8.290 nan 0.000 0.628 68 K N -0.251 120.150 120.400 0.000 0.000 2.402 68 K HA 0.196 4.516 4.320 -0.000 0.000 0.204 68 K C 0.815 177.415 176.600 0.000 0.000 1.056 68 K CA -0.121 56.167 56.287 0.000 0.000 1.069 68 K CB 1.137 33.637 32.500 0.000 0.000 0.888 68 K HN 0.389 nan 8.250 nan 0.000 0.546 69 D N 1.788 122.189 120.400 0.000 0.000 2.311 69 D HA -0.115 4.525 4.640 -0.000 0.000 0.212 69 D C 0.609 176.909 176.300 0.000 0.000 0.972 69 D CA 1.129 55.129 54.000 0.000 0.000 0.887 69 D CB 0.041 40.842 40.800 0.000 0.000 0.915 69 D HN 0.219 nan 8.370 nan 0.000 0.497 70 T N -2.585 111.970 114.554 0.000 0.000 4.456 70 T HA 0.054 4.404 4.350 -0.000 0.000 0.241 70 T C 0.770 175.471 174.700 0.000 0.000 0.793 70 T CA 0.189 62.289 62.100 0.000 0.000 0.924 70 T CB -0.000 68.868 68.868 0.000 0.000 1.362 70 T HN -0.071 nan 8.240 nan 0.000 0.754 71 T N 0.221 114.775 114.554 0.000 0.000 3.636 71 T HA 0.118 4.468 4.350 -0.000 0.000 0.279 71 T C 1.411 176.111 174.700 0.000 0.000 0.977 71 T CA -0.404 61.697 62.100 0.000 0.000 1.139 71 T CB 0.129 68.998 68.868 0.000 0.000 1.147 71 T HN 0.382 nan 8.240 nan 0.000 0.442 72 E N 0.854 121.054 120.200 0.000 0.000 2.418 72 E HA 0.153 4.503 4.350 -0.000 0.000 0.197 72 E C 1.663 178.263 176.600 0.000 0.000 1.026 72 E CA 0.635 57.035 56.400 0.000 0.000 0.862 72 E CB 0.262 29.962 29.700 0.000 0.000 0.799 72 E HN 0.428 nan 8.360 nan 0.000 0.518 73 I N -0.406 120.165 120.570 0.000 0.000 3.445 73 I HA -0.089 4.081 4.170 -0.000 0.000 0.288 73 I C 1.962 178.080 176.117 0.001 0.000 1.198 73 I CA 0.227 61.527 61.300 0.001 0.000 1.417 73 I CB 0.420 38.420 38.000 0.001 0.000 1.205 73 I HN -0.086 nan 8.210 nan 0.000 0.448 74 Q N 0.737 120.538 119.800 0.001 0.000 2.515 74 Q HA -0.091 4.249 4.340 -0.000 0.000 0.212 74 Q C 1.141 177.141 176.000 0.001 0.000 0.970 74 Q CA 0.590 56.393 55.803 0.001 0.000 0.941 74 Q CB 0.094 28.832 28.738 0.001 0.000 0.998 74 Q HN 0.513 nan 8.270 nan 0.000 0.518 75 N N -0.510 118.190 118.700 0.001 0.000 2.510 75 N HA 0.021 4.761 4.740 -0.000 0.000 0.186 75 N C 1.239 176.749 175.510 0.001 0.000 1.051 75 N CA 0.198 53.249 53.050 0.001 0.000 0.877 75 N CB 0.228 38.716 38.487 0.000 0.000 1.183 75 N HN 0.119 nan 8.380 nan 0.000 0.443 76 R N 0.867 121.368 120.500 0.001 0.000 2.189 76 R HA 0.012 4.352 4.340 -0.000 0.000 0.223 76 R C 1.943 178.244 176.300 0.001 0.000 1.092 76 R CA 0.592 56.692 56.100 0.001 0.000 0.989 76 R CB 0.092 30.393 30.300 0.001 0.000 0.876 76 R HN -0.017 nan 8.270 nan 0.000 0.457 77 V N 0.163 120.077 119.914 0.001 0.000 2.500 77 V HA -0.096 4.024 4.120 -0.000 0.000 0.243 77 V C 1.824 177.919 176.094 0.001 0.000 1.039 77 V CA 1.370 63.671 62.300 0.001 0.000 1.053 77 V CB -0.029 31.795 31.823 0.001 0.000 0.695 77 V HN 0.187 nan 8.190 nan 0.000 0.463 78 K N -0.063 120.338 120.400 0.001 0.000 2.097 78 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 78 K C 2.068 178.669 176.600 0.001 0.000 1.050 78 K CA 1.776 58.063 56.287 0.001 0.000 0.938 78 K CB -0.195 32.305 32.500 0.001 0.000 0.718 78 K HN 0.614 nan 8.250 nan 0.000 0.442 79 E N 0.553 120.753 120.200 0.001 0.000 2.150 79 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 79 E C 1.911 178.512 176.600 0.001 0.000 0.985 79 E CA 0.524 56.924 56.400 0.001 0.000 0.814 79 E CB 0.111 29.811 29.700 0.001 0.000 0.752 79 E HN 0.015 nan 8.360 nan 0.000 0.466 80 L N 1.163 122.386 121.223 0.001 0.000 2.095 80 L HA -0.046 4.294 4.340 -0.000 0.000 0.204 80 L C 2.126 178.997 176.870 0.001 0.000 1.080 80 L CA 1.724 56.565 54.840 0.001 0.000 0.759 80 L CB -0.269 41.791 42.059 0.001 0.000 0.914 80 L HN -0.093 nan 8.230 nan 0.000 0.439 81 K N -0.605 119.796 120.400 0.001 0.000 2.211 81 K HA -0.209 4.111 4.320 -0.000 0.000 0.203 81 K C 2.012 178.613 176.600 0.001 0.000 1.050 81 K CA 1.243 57.531 56.287 0.002 0.000 0.945 81 K CB 0.031 32.532 32.500 0.001 0.000 0.732 81 K HN 0.418 nan 8.250 nan 0.000 0.451 82 E N 0.368 120.569 120.200 0.001 0.000 2.204 82 E HA -0.195 4.154 4.350 -0.000 0.000 0.194 82 E C 1.645 178.246 176.600 0.001 0.000 0.989 82 E CA 0.935 57.335 56.400 0.001 0.000 0.824 82 E CB 0.244 29.945 29.700 0.001 0.000 0.756 82 E HN 0.296 nan 8.360 nan 0.000 0.477 83 E N 0.272 120.472 120.200 0.001 0.000 2.307 83 E HA -0.055 4.295 4.350 -0.000 0.000 0.195 83 E C 2.263 178.864 176.600 0.002 0.000 0.975 83 E CA 0.440 56.841 56.400 0.001 0.000 0.878 83 E CB 0.049 29.750 29.700 0.001 0.000 0.845 83 E HN 0.444 nan 8.360 nan 0.000 0.488 84 I N -0.682 119.890 120.570 0.002 0.000 2.286 84 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 84 I C 1.242 177.360 176.117 0.003 0.000 1.115 84 I CA 1.370 62.672 61.300 0.002 0.000 1.392 84 I CB -0.295 37.707 38.000 0.002 0.000 1.065 84 I HN -0.148 nan 8.210 nan 0.000 0.418 85 D N 1.368 121.769 120.400 0.002 0.000 2.097 85 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 85 D C 2.274 178.576 176.300 0.003 0.000 0.984 85 D CA 0.916 54.917 54.000 0.003 0.000 0.826 85 D CB -0.492 40.310 40.800 0.002 0.000 0.973 85 D HN 0.237 nan 8.370 nan 0.000 0.460 86 R N 0.398 120.899 120.500 0.002 0.000 2.119 86 R HA -0.161 4.179 4.340 -0.000 0.000 0.246 86 R C 2.069 178.370 176.300 0.002 0.000 1.146 86 R CA 1.058 57.159 56.100 0.002 0.000 0.962 86 R CB -0.687 29.614 30.300 0.001 0.000 0.863 86 R HN 0.210 nan 8.270 nan 0.000 0.442 87 L N 0.736 121.960 121.223 0.003 0.000 2.131 87 L HA -0.054 4.286 4.340 -0.000 0.000 0.206 87 L C 2.296 179.168 176.870 0.004 0.000 1.087 87 L CA 1.541 56.382 54.840 0.003 0.000 0.767 87 L CB -0.480 41.581 42.059 0.003 0.000 0.917 87 L HN 0.177 nan 8.230 nan 0.000 0.441 88 E N -0.265 119.937 120.200 0.004 0.000 2.110 88 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 88 E C 1.559 178.162 176.600 0.005 0.000 0.988 88 E CA 1.055 57.458 56.400 0.005 0.000 0.804 88 E CB -0.089 29.614 29.700 0.005 0.000 0.745 88 E HN 0.444 nan 8.360 nan 0.000 0.458 89 E N 0.299 120.502 120.200 0.004 0.000 2.512 89 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 89 E C 1.138 177.740 176.600 0.004 0.000 1.083 89 E CA 0.597 57.000 56.400 0.004 0.000 0.873 89 E CB 0.163 29.865 29.700 0.003 0.000 0.897 89 E HN 0.436 nan 8.360 nan 0.000 0.514 90 E N -1.120 119.082 120.200 0.004 0.000 2.536 90 E HA 0.089 4.439 4.350 -0.000 0.000 0.220 90 E C 1.626 178.229 176.600 0.005 0.000 0.876 90 E CA -0.182 56.221 56.400 0.004 0.000 1.190 90 E CB -0.341 29.361 29.700 0.003 0.000 1.191 90 E HN 0.150 nan 8.360 nan 0.000 0.557 91 L N 0.782 122.008 121.223 0.005 0.000 2.109 91 L HA 0.091 4.431 4.340 -0.000 0.000 0.207 91 L C 2.540 179.415 176.870 0.008 0.000 1.086 91 L CA 1.100 55.944 54.840 0.007 0.000 0.760 91 L CB -0.040 42.023 42.059 0.007 0.000 0.910 91 L HN 0.122 nan 8.230 nan 0.000 0.437 92 R N 0.187 120.691 120.500 0.008 0.000 2.080 92 R HA -0.197 4.143 4.340 -0.000 0.000 0.236 92 R C 2.341 178.647 176.300 0.010 0.000 1.137 92 R CA 1.995 58.101 56.100 0.009 0.000 0.943 92 R CB -0.073 30.232 30.300 0.008 0.000 0.846 92 R HN 0.305 nan 8.270 nan 0.000 0.431 93 K N -0.305 120.099 120.400 0.008 0.000 2.103 93 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 93 K C 2.031 178.636 176.600 0.008 0.000 1.048 93 K CA 1.556 57.848 56.287 0.008 0.000 0.930 93 K CB -0.215 32.288 32.500 0.005 0.000 0.716 93 K HN 0.053 nan 8.250 nan 0.000 0.444 94 V N 1.692 121.611 119.914 0.007 0.000 2.295 94 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 94 V C 2.110 178.211 176.094 0.011 0.000 1.049 94 V CA 1.833 64.137 62.300 0.008 0.000 1.024 94 V CB -0.357 31.470 31.823 0.007 0.000 0.648 94 V HN 0.341 nan 8.190 nan 0.000 0.447 95 E N -0.909 119.299 120.200 0.013 0.000 2.208 95 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 95 E C 2.314 178.926 176.600 0.020 0.000 0.988 95 E CA 0.537 56.946 56.400 0.016 0.000 0.828 95 E CB 0.051 29.761 29.700 0.015 0.000 0.763 95 E HN 0.479 nan 8.360 nan 0.000 0.478 96 E N 0.700 120.912 120.200 0.019 0.000 2.015 96 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 96 E C 1.900 178.518 176.600 0.031 0.000 0.991 96 E CA 0.982 57.397 56.400 0.024 0.000 0.802 96 E CB -0.138 29.575 29.700 0.021 0.000 0.759 96 E HN 0.289 nan 8.360 nan 0.000 0.447 97 E N 0.367 120.582 120.200 0.024 0.000 2.171 97 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 97 E C 2.167 178.784 176.600 0.029 0.000 0.997 97 E CA 1.023 57.436 56.400 0.022 0.000 0.810 97 E CB -0.076 29.629 29.700 0.008 0.000 0.738 97 E HN 0.074 nan 8.360 nan 0.000 0.467 98 L N 1.379 122.618 121.223 0.028 0.000 2.095 98 L HA -0.094 4.245 4.340 -0.000 0.000 0.204 98 L C 2.197 179.093 176.870 0.043 0.000 1.080 98 L CA 2.214 57.073 54.840 0.031 0.000 0.759 98 L CB -0.408 41.666 42.059 0.024 0.000 0.914 98 L HN 0.080 nan 8.230 nan 0.000 0.439 99 K N -1.530 118.895 120.400 0.042 0.000 2.228 99 K HA -0.030 4.290 4.320 -0.000 0.000 0.202 99 K C 1.512 178.152 176.600 0.066 0.000 1.051 99 K CA 1.302 57.614 56.287 0.042 0.000 0.960 99 K CB -0.368 32.148 32.500 0.027 0.000 0.743 99 K HN 0.311 nan 8.250 nan 0.000 0.458 100 N N 0.599 119.354 118.700 0.092 0.000 2.333 100 N HA -0.059 4.680 4.740 -0.000 0.000 0.178 100 N C 1.418 177.095 175.510 0.277 0.000 1.018 100 N CA 1.425 54.571 53.050 0.161 0.000 0.882 100 N CB -0.235 38.352 38.487 0.166 0.000 0.984 100 N HN 0.236 nan 8.380 nan 0.000 0.434 101 T N 2.350 117.010 114.554 0.176 0.000 2.684 101 T HA -0.023 4.327 4.350 -0.000 0.000 0.267 101 T C 2.158 176.984 174.700 0.211 0.000 1.036 101 T CA 0.760 62.954 62.100 0.157 0.000 1.148 101 T CB -0.224 68.679 68.868 0.058 0.000 0.863 101 T HN 0.130 nan 8.240 nan 0.000 0.436 102 L N 0.459 121.769 121.223 0.145 0.000 2.083 102 L HA -0.011 4.329 4.340 -0.000 0.000 0.209 102 L C 2.283 179.244 176.870 0.152 0.000 1.083 102 L CA 0.980 55.892 54.840 0.120 0.000 0.752 102 L CB -0.521 41.571 42.059 0.055 0.000 0.899 102 L HN 0.263 nan 8.230 nan 0.000 0.433 103 L N -1.968 119.343 121.223 0.147 0.000 2.549 103 L HA -0.178 4.162 4.340 -0.000 0.000 0.229 103 L C 1.674 178.636 176.870 0.154 0.000 1.158 103 L CA 0.865 55.758 54.840 0.089 0.000 0.842 103 L CB -0.304 41.747 42.059 -0.014 0.000 0.952 103 L HN 0.415 nan 8.230 nan 0.000 0.452 104 W N -0.029 121.358 121.300 0.145 0.000 2.996 104 W HA 0.196 4.855 4.660 -0.000 0.000 0.270 104 W C 1.091 177.840 176.519 0.383 0.000 1.280 104 W CA -0.499 56.951 57.345 0.175 0.000 1.549 104 W CB 0.337 29.825 29.460 0.047 0.000 1.079 104 W HN -0.070 nan 8.180 nan 0.000 0.629 105 I N 0.660 121.533 120.570 0.506 0.000 2.441 105 I HA 0.377 4.546 4.170 -0.000 0.000 0.287 105 I C -2.376 173.868 176.117 0.212 0.000 1.049 105 I CA -2.329 59.179 61.300 0.347 0.000 1.381 105 I CB 0.681 38.798 38.000 0.194 0.000 1.409 105 I HN -0.371 nan 8.210 nan 0.000 0.523 106 P HA 0.136 nan 4.420 nan 0.000 0.274 106 P C -0.621 176.347 177.300 -0.553 0.000 1.246 106 P CA -0.443 62.173 63.100 -0.807 0.000 0.795 106 P CB 0.437 31.858 31.700 -0.465 0.000 1.006 107 N N 0.539 118.553 118.700 -1.145 0.000 2.416 107 N HA 0.031 4.771 4.740 -0.000 0.000 0.246 107 N C -0.539 174.765 175.510 -0.344 0.000 1.260 107 N CA 0.197 52.757 53.050 -0.817 0.000 0.897 107 N CB -0.079 37.738 38.487 -1.116 0.000 1.110 107 N HN 0.273 nan 8.380 nan 0.000 0.439 108 L N 3.709 124.829 121.223 -0.172 0.000 2.360 108 L HA 0.281 4.621 4.340 -0.000 0.000 0.276 108 L C -1.844 174.964 176.870 -0.104 0.000 1.121 108 L CA -1.588 53.163 54.840 -0.148 0.000 0.845 108 L CB 0.859 42.830 42.059 -0.147 0.000 1.143 108 L HN 0.415 nan 8.230 nan 0.000 0.452 109 P HA 0.003 nan 4.420 nan 0.000 0.271 109 P C -0.568 176.759 177.300 0.046 0.000 1.218 109 P CA -0.157 62.926 63.100 -0.028 0.000 0.780 109 P CB 0.337 32.015 31.700 -0.037 0.000 0.901 110 H N 4.544 123.614 119.070 0.001 0.000 2.683 110 H HA 0.082 4.638 4.556 -0.000 0.000 0.339 110 H C -1.575 173.746 175.328 -0.011 0.000 1.081 110 H CA -1.521 54.533 56.048 0.010 0.000 1.432 110 H CB 0.618 30.377 29.762 -0.004 0.000 1.462 110 H HN 0.254 nan 8.280 nan 0.000 0.557 111 P HA -0.282 nan 4.420 nan 0.000 0.216 111 P C 1.782 179.125 177.300 0.071 0.000 1.167 111 P CA 2.585 65.632 63.100 -0.088 0.000 0.914 111 P CB -0.044 31.534 31.700 -0.204 0.000 0.793 112 S N -0.732 115.132 115.700 0.274 0.000 2.422 112 S HA -0.182 4.287 4.470 -0.000 0.000 0.241 112 S C 0.875 175.531 174.600 0.094 0.000 1.076 112 S CA 1.125 59.453 58.200 0.213 0.000 1.066 112 S CB -1.410 61.896 63.200 0.176 0.000 0.890 112 S HN -0.094 nan 8.310 nan 0.000 0.465 113 V N 3.672 123.643 119.914 0.095 0.000 2.599 113 V HA 0.196 4.316 4.120 -0.000 0.000 0.300 113 V C -1.954 174.147 176.094 0.013 0.000 1.034 113 V CA -1.151 61.159 62.300 0.018 0.000 1.115 113 V CB 0.167 31.996 31.823 0.010 0.000 0.934 113 V HN 0.389 nan 8.190 nan 0.000 0.485 114 P HA 0.210 nan 4.420 nan 0.000 0.271 114 P C -0.673 176.628 177.300 0.003 0.000 1.218 114 P CA -0.149 62.954 63.100 0.005 0.000 0.780 114 P CB 0.594 32.296 31.700 0.003 0.000 0.901 115 V N 2.466 122.385 119.914 0.007 0.000 2.539 115 V HA 0.822 4.942 4.120 -0.000 0.000 0.292 115 V C 0.797 176.895 176.094 0.006 0.000 1.045 115 V CA 0.150 62.453 62.300 0.005 0.000 0.945 115 V CB 0.958 32.785 31.823 0.008 0.000 0.993 115 V HN 0.879 nan 8.190 nan 0.000 0.464 116 G N 2.699 111.503 108.800 0.005 0.000 2.519 116 G HA2 0.435 4.395 3.960 -0.000 0.000 0.292 116 G HA3 0.435 4.395 3.960 -0.000 0.000 0.292 116 G C -0.387 174.518 174.900 0.008 0.000 1.507 116 G CA -0.414 44.691 45.100 0.008 0.000 0.806 116 G HN 0.552 nan 8.290 nan 0.000 0.523 117 E N -0.892 119.314 120.200 0.011 0.000 2.340 117 E HA 0.082 4.432 4.350 -0.000 0.000 0.194 117 E C 0.177 176.786 176.600 0.015 0.000 0.996 117 E CA 0.254 56.662 56.400 0.013 0.000 0.869 117 E CB 0.571 30.279 29.700 0.014 0.000 0.835 117 E HN 0.464 nan 8.360 nan 0.000 0.493 118 D N -0.625 119.784 120.400 0.015 0.000 2.566 118 D HA 0.006 4.646 4.640 -0.000 0.000 0.254 118 D C 0.438 176.747 176.300 0.016 0.000 1.090 118 D CA -0.138 53.872 54.000 0.017 0.000 1.034 118 D CB 1.410 42.221 40.800 0.018 0.000 1.434 118 D HN -0.144 nan 8.370 nan 0.000 0.509 119 E N 0.627 120.837 120.200 0.017 0.000 2.338 119 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 119 E C 1.323 177.938 176.600 0.024 0.000 1.007 119 E CA 0.802 57.213 56.400 0.019 0.000 0.849 119 E CB -0.269 29.442 29.700 0.019 0.000 0.774 119 E HN 0.479 nan 8.360 nan 0.000 0.506 120 K N 0.650 121.064 120.400 0.024 0.000 2.459 120 K HA 0.037 4.357 4.320 -0.000 0.000 0.193 120 K C 1.020 177.635 176.600 0.025 0.000 1.030 120 K CA 0.645 56.948 56.287 0.027 0.000 1.026 120 K CB 0.304 32.820 32.500 0.027 0.000 0.809 120 K HN -0.149 nan 8.250 nan 0.000 0.504 121 D N 1.481 121.894 120.400 0.021 0.000 2.559 121 D HA 0.121 4.761 4.640 -0.000 0.000 0.234 121 D C -0.911 175.400 176.300 0.017 0.000 1.226 121 D CA -0.169 53.842 54.000 0.019 0.000 0.830 121 D CB 0.069 40.878 40.800 0.016 0.000 1.028 121 D HN 0.285 nan 8.370 nan 0.000 0.492 122 N N -0.118 118.594 118.700 0.020 0.000 2.473 122 N HA 0.282 5.022 4.740 -0.000 0.000 0.291 122 N C -0.581 174.946 175.510 0.027 0.000 1.083 122 N CA -0.556 52.506 53.050 0.019 0.000 0.951 122 N CB 2.401 40.901 38.487 0.022 0.000 1.164 122 N HN -0.189 nan 8.380 nan 0.000 0.480 123 V N 0.967 120.899 119.914 0.030 0.000 2.459 123 V HA 0.184 4.304 4.120 -0.000 0.000 0.295 123 V C 0.287 176.411 176.094 0.051 0.000 1.029 123 V CA -0.878 61.444 62.300 0.037 0.000 0.874 123 V CB 1.522 33.365 31.823 0.034 0.000 0.985 123 V HN 0.703 nan 8.190 nan 0.000 0.438 124 E N 2.756 122.980 120.200 0.040 0.000 2.415 124 E HA 0.135 4.485 4.350 -0.000 0.000 0.263 124 E C 0.614 177.245 176.600 0.053 0.000 0.995 124 E CA 0.070 56.492 56.400 0.036 0.000 0.915 124 E CB 1.376 31.078 29.700 0.004 0.000 0.951 124 E HN 0.716 nan 8.360 nan 0.000 0.449 125 V N 2.563 122.522 119.914 0.075 0.000 3.605 125 V HA 0.332 4.452 4.120 -0.000 0.000 0.284 125 V C 0.104 176.231 176.094 0.054 0.000 1.386 125 V CA 0.446 62.796 62.300 0.083 0.000 1.053 125 V CB -0.629 31.279 31.823 0.143 0.000 0.857 125 V HN 0.818 nan 8.190 nan 0.000 0.436 126 R N -0.664 119.861 120.500 0.041 0.000 3.288 126 R HA 0.455 4.795 4.340 -0.000 0.000 0.284 126 R C -1.488 174.814 176.300 0.003 0.000 0.967 126 R CA -0.868 55.247 56.100 0.026 0.000 0.836 126 R CB 0.543 30.871 30.300 0.046 0.000 1.344 126 R HN 0.243 nan 8.270 nan 0.000 0.534 127 R N -0.538 119.937 120.500 -0.041 0.000 2.987 127 R HA 0.630 4.970 4.340 -0.000 0.000 0.248 127 R C -1.487 174.706 176.300 -0.177 0.000 1.264 127 R CA -0.819 55.207 56.100 -0.124 0.000 1.026 127 R CB 2.058 32.293 30.300 -0.109 0.000 1.286 127 R HN 0.710 nan 8.270 nan 0.000 0.483 128 W N -0.679 120.298 121.300 -0.537 0.000 3.818 128 W HA 0.398 5.058 4.660 -0.000 0.000 0.283 128 W C -0.850 175.469 176.519 -0.334 0.000 1.265 128 W CA 0.682 57.710 57.345 -0.528 0.000 1.226 128 W CB 1.427 30.320 29.460 -0.946 0.000 1.281 128 W HN 0.892 nan 8.180 nan 0.000 0.539 129 G N 3.123 111.344 108.800 -0.966 0.000 2.801 129 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.686 129 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.686 129 G C -1.080 173.617 174.900 -0.339 0.000 1.507 129 G CA -0.378 44.290 45.100 -0.720 0.000 0.980 129 G HN 0.590 nan 8.290 nan 0.000 0.589 130 E N 1.494 121.494 120.200 -0.333 0.000 2.158 130 E HA 0.543 4.893 4.350 -0.000 0.000 0.271 130 E C -2.145 174.239 176.600 -0.360 0.000 0.911 130 E CA -1.580 54.636 56.400 -0.307 0.000 0.767 130 E CB 1.308 30.839 29.700 -0.281 0.000 1.120 130 E HN 0.439 nan 8.360 nan 0.000 0.405 131 P HA -0.073 nan 4.420 nan 0.000 0.258 131 P C -0.445 176.572 177.300 -0.472 0.000 1.187 131 P CA 0.068 62.675 63.100 -0.822 0.000 0.767 131 P CB 0.301 30.951 31.700 -1.750 0.000 0.770 132 R N 3.087 123.403 120.500 -0.307 0.000 2.566 132 R HA -0.040 4.300 4.340 -0.000 0.000 0.273 132 R C 0.162 176.321 176.300 -0.235 0.000 0.981 132 R CA 0.289 56.205 56.100 -0.306 0.000 1.091 132 R CB 0.324 30.387 30.300 -0.394 0.000 0.924 132 R HN 0.144 nan 8.270 nan 0.000 0.411 133 K N 4.039 124.268 120.400 -0.285 0.000 2.130 133 K HA 0.269 4.589 4.320 -0.000 0.000 0.268 133 K C -1.507 174.922 176.600 -0.285 0.000 0.983 133 K CA -0.358 55.842 56.287 -0.145 0.000 0.893 133 K CB 0.713 33.133 32.500 -0.133 0.000 1.066 133 K HN 0.346 nan 8.250 nan 0.000 0.450 134 F N 1.708 121.521 119.950 -0.229 0.000 2.458 134 F HA 0.247 4.774 4.527 -0.000 0.000 0.330 134 F C 0.849 176.454 175.800 -0.325 0.000 1.082 134 F CA -0.509 57.250 58.000 -0.401 0.000 0.995 134 F CB 1.751 40.407 39.000 -0.574 0.000 1.170 134 F HN 0.630 nan 8.300 nan 0.000 0.478 135 D N 0.769 121.037 120.400 -0.220 0.000 2.348 135 D HA 0.055 4.695 4.640 -0.000 0.000 0.211 135 D C -0.527 175.833 176.300 0.100 0.000 0.998 135 D CA 0.937 54.915 54.000 -0.036 0.000 0.873 135 D CB -0.003 40.825 40.800 0.046 0.000 0.925 135 D HN 0.235 nan 8.370 nan 0.000 0.524 136 F N -1.207 118.838 119.950 0.159 0.000 2.626 136 F HA 0.420 4.947 4.527 -0.000 0.000 0.311 136 F C -0.290 175.550 175.800 0.066 0.000 1.088 136 F CA -1.789 56.269 58.000 0.097 0.000 0.949 136 F CB 0.878 39.928 39.000 0.083 0.000 1.322 136 F HN -0.359 nan 8.300 nan 0.000 0.461 137 E N 4.291 124.651 120.200 0.267 0.000 2.415 137 E HA 0.110 4.460 4.350 -0.000 0.000 0.260 137 E C -2.358 174.304 176.600 0.104 0.000 1.016 137 E CA -1.590 54.861 56.400 0.085 0.000 0.924 137 E CB 0.518 30.250 29.700 0.053 0.000 0.961 137 E HN 0.419 nan 8.360 nan 0.000 0.459 138 P HA 0.102 nan 4.420 nan 0.000 0.275 138 P C -1.101 176.070 177.300 -0.215 0.000 1.227 138 P CA -0.026 62.809 63.100 -0.441 0.000 0.781 138 P CB 0.923 31.869 31.700 -1.257 0.000 0.906 139 K N 3.463 123.782 120.400 -0.134 0.000 2.110 139 K HA 0.416 4.736 4.320 -0.000 0.000 0.263 139 K C -2.014 174.403 176.600 -0.304 0.000 0.975 139 K CA -2.224 53.944 56.287 -0.199 0.000 0.895 139 K CB 0.610 33.019 32.500 -0.152 0.000 1.060 139 K HN 0.407 nan 8.250 nan 0.000 0.448 140 P HA -0.075 nan 4.420 nan 0.000 0.270 140 P C -0.196 176.672 177.300 -0.721 0.000 1.223 140 P CA 0.194 62.768 63.100 -0.876 0.000 0.785 140 P CB 0.445 31.028 31.700 -1.863 0.000 0.923 141 H N 0.609 119.448 119.070 -0.385 0.000 2.421 141 H HA -0.142 4.414 4.556 -0.000 0.000 0.298 141 H C 1.886 177.252 175.328 0.063 0.000 1.087 141 H CA 1.393 57.410 56.048 -0.052 0.000 1.330 141 H CB -1.365 28.502 29.762 0.174 0.000 1.388 141 H HN 0.544 nan 8.280 nan 0.000 0.526 142 W N 1.327 122.483 121.300 -0.240 0.000 2.418 142 W HA 0.065 4.725 4.660 -0.000 0.000 0.292 142 W C 2.028 178.560 176.519 0.022 0.000 1.213 142 W CA 0.656 57.992 57.345 -0.015 0.000 1.283 142 W CB -0.304 28.860 29.460 -0.492 0.000 1.119 142 W HN 0.270 nan 8.180 nan 0.000 0.542 143 E N 1.106 121.043 120.200 -0.438 0.000 2.047 143 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 143 E C 2.052 178.617 176.600 -0.059 0.000 0.987 143 E CA 2.038 58.313 56.400 -0.209 0.000 0.799 143 E CB -0.304 29.150 29.700 -0.410 0.000 0.752 143 E HN 0.415 nan 8.360 nan 0.000 0.449 144 I N 0.363 120.882 120.570 -0.084 0.000 2.252 144 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 144 I C 2.481 178.650 176.117 0.087 0.000 1.102 144 I CA 1.145 62.449 61.300 0.006 0.000 1.385 144 I CB -0.418 37.594 38.000 0.020 0.000 1.064 144 I HN 0.222 nan 8.210 nan 0.000 0.414 145 G N 0.133 109.028 108.800 0.159 0.000 2.402 145 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 145 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 145 G C 1.555 176.579 174.900 0.207 0.000 1.162 145 G CA 0.467 45.691 45.100 0.208 0.000 0.777 145 G HN 0.386 nan 8.290 nan 0.000 0.539 146 E N -0.200 120.157 120.200 0.261 0.000 2.106 146 E HA -0.094 4.255 4.350 -0.000 0.000 0.192 146 E C 2.595 179.281 176.600 0.144 0.000 0.984 146 E CA 0.575 57.116 56.400 0.235 0.000 0.806 146 E CB -0.004 29.861 29.700 0.276 0.000 0.750 146 E HN 0.202 nan 8.360 nan 0.000 0.458 147 R N 1.095 121.662 120.500 0.111 0.000 2.092 147 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 147 R C 1.778 178.122 176.300 0.074 0.000 1.119 147 R CA 1.108 57.251 56.100 0.072 0.000 0.970 147 R CB -0.330 29.994 30.300 0.041 0.000 0.864 147 R HN 0.163 nan 8.270 nan 0.000 0.440 148 L N -0.612 120.665 121.223 0.091 0.000 2.591 148 L HA 0.234 4.574 4.340 -0.000 0.000 0.228 148 L C 0.781 177.719 176.870 0.114 0.000 1.133 148 L CA 0.520 55.419 54.840 0.098 0.000 0.880 148 L CB -0.049 42.072 42.059 0.103 0.000 1.033 148 L HN 0.595 nan 8.230 nan 0.000 0.450 149 G N 1.299 110.164 108.800 0.108 0.000 2.198 149 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 149 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 149 G C 0.748 175.702 174.900 0.090 0.000 1.025 149 G CA 0.726 45.883 45.100 0.095 0.000 0.769 149 G HN 0.601 nan 8.290 nan 0.000 0.507 150 I N -3.258 117.374 120.570 0.102 0.000 4.070 150 I HA 0.507 4.677 4.170 -0.000 0.000 0.328 150 I C 0.569 176.708 176.117 0.037 0.000 1.298 150 I CA -0.037 61.314 61.300 0.086 0.000 1.173 150 I CB 0.246 38.321 38.000 0.125 0.000 1.051 150 I HN 0.060 nan 8.210 nan 0.000 0.409 151 L N 2.733 123.974 121.223 0.030 0.000 2.372 151 L HA 0.521 4.861 4.340 -0.000 0.000 0.274 151 L C -1.315 175.457 176.870 -0.164 0.000 0.988 151 L CA -0.312 54.441 54.840 -0.145 0.000 0.833 151 L CB 1.972 43.966 42.059 -0.109 0.000 1.236 151 L HN 0.008 nan 8.230 nan 0.000 0.410 152 D N 2.633 122.892 120.400 -0.235 0.000 2.472 152 D HA 0.259 4.899 4.640 -0.000 0.000 0.234 152 D C 0.360 176.564 176.300 -0.159 0.000 1.088 152 D CA -0.298 53.652 54.000 -0.083 0.000 0.882 152 D CB 1.003 41.790 40.800 -0.022 0.000 1.037 152 D HN 0.265 nan 8.370 nan 0.000 0.520 153 F N 1.913 121.906 119.950 0.072 0.000 2.270 153 F HA 0.011 4.538 4.527 -0.000 0.000 0.295 153 F C 2.418 178.248 175.800 0.050 0.000 1.087 153 F CA 0.303 58.338 58.000 0.058 0.000 1.365 153 F CB 0.160 39.179 39.000 0.033 0.000 1.056 153 F HN 0.157 nan 8.300 nan 0.000 0.506 154 K N 0.700 121.237 120.400 0.228 0.000 2.009 154 K HA -0.133 4.187 4.320 -0.000 0.000 0.210 154 K C 2.118 178.775 176.600 0.094 0.000 1.049 154 K CA 1.407 57.775 56.287 0.136 0.000 0.929 154 K CB -0.584 31.980 32.500 0.106 0.000 0.714 154 K HN 0.278 nan 8.250 nan 0.000 0.440 155 R N -0.153 120.390 120.500 0.072 0.000 2.115 155 R HA -0.061 4.279 4.340 -0.000 0.000 0.230 155 R C 2.466 178.794 176.300 0.047 0.000 1.111 155 R CA 1.096 57.223 56.100 0.046 0.000 0.976 155 R CB -0.495 29.823 30.300 0.029 0.000 0.870 155 R HN 0.321 nan 8.270 nan 0.000 0.445 156 G N 0.792 109.629 108.800 0.061 0.000 2.432 156 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 156 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 156 G C 1.488 176.460 174.900 0.121 0.000 1.135 156 G CA 0.822 45.979 45.100 0.095 0.000 0.767 156 G HN 0.403 nan 8.290 nan 0.000 0.550 157 A N 0.401 123.294 122.820 0.121 0.000 1.930 157 A HA 0.142 4.461 4.320 -0.000 0.000 0.215 157 A C 2.177 179.795 177.584 0.056 0.000 1.176 157 A CA 1.791 53.896 52.037 0.113 0.000 0.632 157 A CB -0.332 18.735 19.000 0.113 0.000 0.819 157 A HN 0.324 nan 8.150 nan 0.000 0.445 158 K N -0.762 119.664 120.400 0.043 0.000 2.152 158 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 158 K C 1.632 178.228 176.600 -0.007 0.000 1.048 158 K CA 1.342 57.641 56.287 0.019 0.000 0.933 158 K CB -0.192 32.320 32.500 0.020 0.000 0.721 158 K HN 0.335 nan 8.250 nan 0.000 0.447 159 L N -0.239 120.973 121.223 -0.019 0.000 2.102 159 L HA -0.014 4.326 4.340 -0.000 0.000 0.202 159 L C 1.625 178.410 176.870 -0.142 0.000 1.076 159 L CA 1.516 56.318 54.840 -0.064 0.000 0.761 159 L CB 0.081 42.106 42.059 -0.055 0.000 0.921 159 L HN -0.014 nan 8.230 nan 0.000 0.444 160 S N -1.501 114.081 115.700 -0.196 0.000 2.787 160 S HA 0.609 5.079 4.470 -0.000 0.000 0.255 160 S C 0.448 174.924 174.600 -0.208 0.000 1.051 160 S CA 0.130 58.075 58.200 -0.425 0.000 1.124 160 S CB 0.996 63.508 63.200 -1.146 0.000 1.104 160 S HN 0.547 nan 8.310 nan 0.000 0.623 161 G N 2.313 111.126 108.800 0.021 0.000 2.610 161 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.304 161 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.304 161 G C -0.268 174.810 174.900 0.297 0.000 1.309 161 G CA -0.627 44.565 45.100 0.153 0.000 0.906 161 G HN 0.831 nan 8.290 nan 0.000 0.521 162 S N -0.279 115.586 115.700 0.275 0.000 2.589 162 S HA 0.534 5.004 4.470 -0.000 0.000 0.265 162 S C 1.067 175.849 174.600 0.303 0.000 1.342 162 S CA 0.864 59.203 58.200 0.231 0.000 1.005 162 S CB 0.815 64.087 63.200 0.120 0.000 0.909 162 S HN 1.619 nan 8.310 nan 0.000 0.555 163 R N -0.996 119.554 120.500 0.084 0.000 3.641 163 R HA -0.163 4.177 4.340 -0.000 0.000 0.286 163 R C -1.464 174.734 176.300 -0.171 0.000 1.153 163 R CA 0.754 56.763 56.100 -0.152 0.000 0.775 163 R CB -2.249 27.682 30.300 -0.616 0.000 1.215 163 R HN 0.580 nan 8.270 nan 0.000 0.474 164 F N -0.851 119.159 119.950 0.099 0.000 2.536 164 F HA 0.350 4.877 4.527 -0.000 0.000 0.322 164 F C 0.302 176.131 175.800 0.049 0.000 1.144 164 F CA -0.495 57.567 58.000 0.103 0.000 0.924 164 F CB 2.306 41.386 39.000 0.135 0.000 1.181 164 F HN -0.156 nan 8.300 nan 0.000 0.438 165 T N 3.993 118.636 114.554 0.148 0.000 2.921 165 T HA 0.545 4.895 4.350 -0.000 0.000 0.297 165 T C -1.513 173.159 174.700 -0.046 0.000 1.013 165 T CA -0.636 61.442 62.100 -0.037 0.000 0.990 165 T CB 1.049 69.764 68.868 -0.255 0.000 1.023 165 T HN 0.536 nan 8.240 nan 0.000 0.447 166 V N 6.435 126.307 119.914 -0.069 0.000 2.546 166 V HA 0.657 4.777 4.120 -0.000 0.000 0.284 166 V C -0.653 175.392 176.094 -0.082 0.000 1.050 166 V CA -0.597 61.680 62.300 -0.038 0.000 0.981 166 V CB 0.552 32.367 31.823 -0.015 0.000 0.990 166 V HN 0.731 nan 8.190 nan 0.000 0.474 167 I N 5.658 126.203 120.570 -0.042 0.000 2.377 167 I HA 0.812 4.982 4.170 -0.000 0.000 0.293 167 I C 0.449 176.557 176.117 -0.016 0.000 0.987 167 I CA -0.525 60.755 61.300 -0.033 0.000 1.185 167 I CB 0.626 38.619 38.000 -0.011 0.000 1.341 167 I HN 0.944 nan 8.210 nan 0.000 0.455 168 A N 3.504 126.321 122.820 -0.005 0.000 2.423 168 A HA 0.875 5.194 4.320 -0.000 0.000 0.304 168 A C 0.593 178.172 177.584 -0.009 0.000 1.104 168 A CA 0.020 52.051 52.037 -0.010 0.000 0.757 168 A CB 1.259 20.254 19.000 -0.009 0.000 1.313 168 A HN 1.171 nan 8.150 nan 0.000 0.423 169 G N 0.285 109.046 108.800 -0.066 0.000 2.685 169 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.329 169 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.329 169 G C 0.918 175.733 174.900 -0.141 0.000 1.271 169 G CA 1.349 46.351 45.100 -0.163 0.000 1.003 169 G HN 1.128 nan 8.290 nan 0.000 0.549 170 W N 1.253 122.557 121.300 0.006 0.000 2.342 170 W HA 0.097 4.757 4.660 0.000 0.000 0.297 170 W C 2.891 179.410 176.519 0.000 0.000 1.213 170 W CA 1.312 58.659 57.345 0.004 0.000 1.251 170 W CB -0.606 28.859 29.460 0.008 0.000 1.136 170 W HN 0.716 nan 8.180 nan 0.000 0.526 171 G N 0.283 109.211 108.800 0.214 0.000 2.459 171 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 171 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 171 G C 1.629 176.574 174.900 0.075 0.000 1.183 171 G CA 1.686 46.862 45.100 0.127 0.000 0.776 171 G HN 0.328 nan 8.290 nan 0.000 0.552 172 A N 0.411 123.252 122.820 0.037 0.000 1.877 172 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 172 A C 2.350 179.936 177.584 0.005 0.000 1.186 172 A CA 1.837 53.876 52.037 0.003 0.000 0.620 172 A CB -0.493 18.492 19.000 -0.024 0.000 0.822 172 A HN 0.339 nan 8.150 nan 0.000 0.443 173 R N -0.996 119.510 120.500 0.010 0.000 2.152 173 R HA -0.117 4.222 4.340 -0.000 0.000 0.232 173 R C 1.971 178.325 176.300 0.090 0.000 1.117 173 R CA 1.480 57.598 56.100 0.030 0.000 0.981 173 R CB -0.309 29.986 30.300 -0.008 0.000 0.870 173 R HN 0.475 nan 8.270 nan 0.000 0.451 174 L N 0.958 122.252 121.223 0.118 0.000 2.095 174 L HA -0.069 4.271 4.340 -0.000 0.000 0.204 174 L C 2.119 179.000 176.870 0.018 0.000 1.080 174 L CA 1.751 56.641 54.840 0.085 0.000 0.759 174 L CB -0.366 41.746 42.059 0.089 0.000 0.914 174 L HN 0.098 nan 8.230 nan 0.000 0.439 175 E N -0.135 120.069 120.200 0.006 0.000 2.085 175 E HA -0.299 4.051 4.350 -0.000 0.000 0.194 175 E C 2.358 178.908 176.600 -0.083 0.000 0.994 175 E CA 1.379 57.758 56.400 -0.034 0.000 0.801 175 E CB -0.040 29.642 29.700 -0.031 0.000 0.743 175 E HN 0.454 nan 8.360 nan 0.000 0.453 176 R N 0.463 120.919 120.500 -0.074 0.000 2.070 176 R HA -0.144 4.196 4.340 -0.000 0.000 0.233 176 R C 2.311 178.558 176.300 -0.088 0.000 1.137 176 R CA 1.655 57.694 56.100 -0.102 0.000 0.945 176 R CB -0.366 29.903 30.300 -0.051 0.000 0.845 176 R HN 0.106 nan 8.270 nan 0.000 0.430 177 A N 1.404 124.203 122.820 -0.035 0.000 1.869 177 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 177 A C 2.251 179.736 177.584 -0.165 0.000 1.203 177 A CA 1.937 53.943 52.037 -0.051 0.000 0.638 177 A CB -1.003 18.010 19.000 0.022 0.000 0.831 177 A HN 0.414 nan 8.150 nan 0.000 0.450 178 L N -0.747 120.418 121.223 -0.097 0.000 1.991 178 L HA -0.295 4.045 4.340 -0.000 0.000 0.221 178 L C 2.618 179.436 176.870 -0.086 0.000 1.079 178 L CA 2.104 56.913 54.840 -0.052 0.000 0.778 178 L CB -0.678 41.359 42.059 -0.036 0.000 0.893 178 L HN 0.460 nan 8.230 nan 0.000 0.437 179 I N -0.348 120.135 120.570 -0.145 0.000 2.208 179 I HA -0.336 3.834 4.170 -0.000 0.000 0.245 179 I C 2.050 178.073 176.117 -0.157 0.000 1.097 179 I CA 1.854 63.044 61.300 -0.183 0.000 1.363 179 I CB -0.529 37.246 38.000 -0.374 0.000 1.051 179 I HN 0.388 nan 8.210 nan 0.000 0.413 180 N N 0.209 118.807 118.700 -0.169 0.000 2.080 180 N HA -0.136 4.604 4.740 -0.000 0.000 0.189 180 N C 0.932 176.280 175.510 -0.269 0.000 1.036 180 N CA 0.458 53.422 53.050 -0.143 0.000 0.846 180 N CB -0.256 38.197 38.487 -0.058 0.000 1.015 180 N HN 0.107 nan 8.380 nan 0.000 0.423 184 D N 0.997 121.328 120.400 -0.116 0.000 2.097 184 D HA -0.135 4.505 4.640 -0.000 0.000 0.195 184 D C 2.028 178.256 176.300 -0.120 0.000 0.989 184 D CA 1.390 55.361 54.000 -0.047 0.000 0.827 184 D CB 0.159 40.996 40.800 0.061 0.000 0.966 184 D HN 0.239 nan 8.370 nan 0.000 0.456 185 L N 0.718 121.731 121.223 -0.349 0.000 1.970 185 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 185 L C 2.489 179.206 176.870 -0.256 0.000 1.071 185 L CA 1.562 56.160 54.840 -0.404 0.000 0.751 185 L CB -0.259 41.323 42.059 -0.794 0.000 0.889 185 L HN 0.182 nan 8.230 nan 0.000 0.432 186 H N -0.730 118.290 119.070 -0.084 0.000 2.387 186 H HA -0.125 4.430 4.556 -0.000 0.000 0.299 186 H C 2.282 177.739 175.328 0.214 0.000 1.090 186 H CA 1.982 58.063 56.048 0.057 0.000 1.332 186 H CB -0.840 28.817 29.762 -0.176 0.000 1.386 186 H HN 0.518 nan 8.280 nan 0.000 0.516 187 T N -0.380 114.295 114.554 0.202 0.000 2.777 187 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 187 T C 1.973 176.755 174.700 0.138 0.000 1.040 187 T CA 1.355 63.562 62.100 0.179 0.000 1.141 187 T CB 0.029 68.963 68.868 0.111 0.000 0.868 187 T HN 0.282 nan 8.240 nan 0.000 0.444 188 K N 1.245 121.699 120.400 0.090 0.000 2.097 188 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 188 K C 2.379 179.024 176.600 0.076 0.000 1.049 188 K CA 1.371 57.697 56.287 0.064 0.000 0.933 188 K CB -0.143 32.377 32.500 0.035 0.000 0.717 188 K HN 0.236 nan 8.250 nan 0.000 0.442 189 K N -0.881 119.588 120.400 0.116 0.000 2.283 189 K HA -0.054 4.266 4.320 -0.000 0.000 0.202 189 K C 0.809 177.449 176.600 0.066 0.000 1.048 189 K CA 1.246 57.600 56.287 0.112 0.000 0.948 189 K CB 0.220 32.850 32.500 0.217 0.000 0.742 189 K HN 0.469 nan 8.250 nan 0.000 0.458 190 G N -1.728 107.131 108.800 0.097 0.000 2.164 190 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.154 190 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.154 190 G C -0.595 174.351 174.900 0.076 0.000 1.014 190 G CA -0.397 44.736 45.100 0.054 0.000 0.683 190 G HN 0.161 nan 8.290 nan 0.000 0.500 191 Y N 0.391 120.793 120.300 0.169 0.000 2.309 191 Y HA 0.599 5.149 4.550 -0.000 0.000 0.327 191 Y C 0.803 176.773 175.900 0.117 0.000 1.172 191 Y CA -0.452 57.746 58.100 0.165 0.000 1.280 191 Y CB 1.074 39.594 38.460 0.101 0.000 1.234 191 Y HN -0.030 nan 8.280 nan 0.000 0.512 192 K N 3.138 123.700 120.400 0.270 0.000 2.285 192 K HA 0.095 4.415 4.320 -0.000 0.000 0.286 192 K C -0.510 176.181 176.600 0.151 0.000 1.072 192 K CA -0.254 56.136 56.287 0.172 0.000 0.913 192 K CB 0.366 32.952 32.500 0.144 0.000 1.067 192 K HN 0.631 nan 8.250 nan 0.000 0.479 193 E N 3.614 123.887 120.200 0.122 0.000 2.384 193 E HA 0.220 4.569 4.350 -0.000 0.000 0.266 193 E C -0.514 176.131 176.600 0.075 0.000 1.012 193 E CA -0.315 56.141 56.400 0.095 0.000 0.901 193 E CB 0.384 30.136 29.700 0.087 0.000 0.967 193 E HN 0.553 nan 8.360 nan 0.000 0.435 194 I N 1.785 122.390 120.570 0.059 0.000 2.752 194 I HA 0.344 4.514 4.170 -0.000 0.000 0.295 194 I C -1.674 174.461 176.117 0.031 0.000 1.219 194 I CA -0.704 60.620 61.300 0.041 0.000 1.030 194 I CB 1.740 39.758 38.000 0.031 0.000 1.259 194 I HN 0.414 nan 8.210 nan 0.000 0.423 195 C N 7.357 126.671 119.300 0.023 0.000 2.264 195 C HA 0.745 5.205 4.460 -0.000 0.000 0.322 195 C C -2.016 172.970 174.990 -0.007 0.000 1.210 195 C CA -0.561 58.467 59.018 0.017 0.000 1.539 195 C CB 0.040 27.790 27.740 0.016 0.000 2.167 195 C HN 0.722 nan 8.230 nan 0.000 0.463 196 P HA 0.572 nan 4.420 nan 0.000 0.285 196 P C -2.946 174.343 177.300 -0.018 0.000 1.285 196 P CA -1.636 61.463 63.100 -0.003 0.000 0.854 196 P CB 0.621 32.330 31.700 0.015 0.000 1.180 197 P HA 0.259 nan 4.420 nan 0.000 0.274 197 P C 0.257 177.602 177.300 0.076 0.000 1.231 197 P CA -0.001 63.056 63.100 -0.072 0.000 0.790 197 P CB 0.324 32.000 31.700 -0.039 0.000 0.951 198 H N -0.330 118.727 119.070 -0.021 0.000 2.654 198 H HA 0.181 4.736 4.556 -0.000 0.000 0.264 198 H C -0.119 175.204 175.328 -0.007 0.000 0.954 198 H CA -0.380 55.671 56.048 0.005 0.000 1.199 198 H CB 0.430 30.222 29.762 0.051 0.000 1.446 198 H HN 0.104 nan 8.280 nan 0.000 0.516 199 L N 1.994 123.262 121.223 0.076 0.000 2.282 199 L HA 0.344 4.683 4.340 -0.000 0.000 0.288 199 L C -0.472 176.420 176.870 0.036 0.000 1.033 199 L CA -0.370 54.486 54.840 0.026 0.000 0.807 199 L CB 1.600 43.645 42.059 -0.024 0.000 1.209 199 L HN -0.072 nan 8.230 nan 0.000 0.423 200 V N 4.456 124.410 119.914 0.066 0.000 2.962 200 V HA 0.467 4.587 4.120 -0.000 0.000 0.313 200 V C -0.164 175.988 176.094 0.097 0.000 1.099 200 V CA -1.037 61.304 62.300 0.069 0.000 0.971 200 V CB 2.548 34.413 31.823 0.070 0.000 1.028 200 V HN 0.774 nan 8.190 nan 0.000 0.430 201 K N 4.770 125.211 120.400 0.067 0.000 2.355 201 K HA 0.276 4.596 4.320 -0.000 0.000 0.270 201 K C -1.782 174.887 176.600 0.115 0.000 1.003 201 K CA -1.081 55.250 56.287 0.074 0.000 0.957 201 K CB 1.418 33.941 32.500 0.038 0.000 0.939 201 K HN 0.411 nan 8.250 nan 0.000 0.482 202 P HA -0.225 nan 4.420 nan 0.000 0.214 202 P C 0.192 177.514 177.300 0.036 0.000 1.169 202 P CA 1.595 64.784 63.100 0.149 0.000 0.908 202 P CB 0.177 31.983 31.700 0.178 0.000 0.791 203 E N -0.756 119.460 120.200 0.026 0.000 2.136 203 E HA -0.223 4.127 4.350 -0.000 0.000 0.202 203 E C 1.888 178.482 176.600 -0.009 0.000 1.019 203 E CA 1.277 57.677 56.400 -0.000 0.000 0.819 203 E CB -1.042 28.661 29.700 0.004 0.000 0.739 203 E HN 0.197 nan 8.360 nan 0.000 0.458 204 I N 0.242 120.815 120.570 0.004 0.000 2.163 204 I HA -0.220 3.949 4.170 -0.000 0.000 0.243 204 I C 1.992 178.100 176.117 -0.014 0.000 1.085 204 I CA 1.162 62.462 61.300 -0.001 0.000 1.347 204 I CB -1.036 36.971 38.000 0.011 0.000 1.044 204 I HN 0.177 nan 8.210 nan 0.000 0.408 205 L N -0.031 121.172 121.223 -0.033 0.000 2.291 205 L HA -0.048 4.292 4.340 -0.000 0.000 0.214 205 L C 2.452 179.276 176.870 -0.076 0.000 1.120 205 L CA 1.352 56.148 54.840 -0.073 0.000 0.799 205 L CB -0.933 41.021 42.059 -0.175 0.000 0.925 205 L HN 0.225 nan 8.230 nan 0.000 0.446 206 I N -0.929 119.597 120.570 -0.073 0.000 2.500 206 I HA -0.124 4.046 4.170 -0.000 0.000 0.252 206 I C 2.468 178.561 176.117 -0.041 0.000 1.142 206 I CA 0.884 62.138 61.300 -0.077 0.000 1.451 206 I CB -0.554 37.402 38.000 -0.074 0.000 1.093 206 I HN 0.254 nan 8.210 nan 0.000 0.430 207 G N 1.019 109.802 108.800 -0.029 0.000 2.446 207 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 207 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 207 G C 1.590 176.497 174.900 0.013 0.000 1.168 207 G CA 1.662 46.751 45.100 -0.019 0.000 0.771 207 G HN 0.457 nan 8.290 nan 0.000 0.551 208 T N -3.065 111.511 114.554 0.037 0.000 3.122 208 T HA 0.462 4.812 4.350 -0.000 0.000 0.250 208 T C 1.685 176.489 174.700 0.172 0.000 1.067 208 T CA 0.743 62.896 62.100 0.088 0.000 0.966 208 T CB 0.538 69.439 68.868 0.055 0.000 1.002 208 T HN 1.379 nan 8.240 nan 0.000 0.542 209 G N 1.680 110.588 108.800 0.180 0.000 2.313 209 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.215 209 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.215 209 G C 1.132 176.113 174.900 0.135 0.000 1.023 209 G CA 0.182 45.480 45.100 0.329 0.000 0.626 209 G HN 0.458 nan 8.290 nan 0.000 0.503 210 Q N -0.186 119.652 119.800 0.064 0.000 2.173 210 Q HA -0.008 4.332 4.340 -0.000 0.000 0.208 210 Q C 1.050 177.024 176.000 -0.044 0.000 0.989 210 Q CA 1.180 56.999 55.803 0.027 0.000 0.872 210 Q CB -0.212 28.495 28.738 -0.051 0.000 0.909 210 Q HN 0.538 nan 8.270 nan 0.000 0.420 211 L N 1.429 122.550 121.223 -0.170 0.000 2.342 211 L HA 0.276 4.615 4.340 -0.000 0.000 0.271 211 L C -1.700 174.942 176.870 -0.379 0.000 1.008 211 L CA -2.252 52.405 54.840 -0.305 0.000 0.818 211 L CB 1.854 43.742 42.059 -0.284 0.000 1.296 211 L HN -0.148 nan 8.230 nan 0.000 0.427 212 P HA -0.058 nan 4.420 nan 0.000 0.226 212 P C 1.146 177.856 177.300 -0.985 0.000 1.161 212 P CA 0.645 63.318 63.100 -0.712 0.000 0.804 212 P CB 0.522 31.752 31.700 -0.785 0.000 0.829 213 K N -0.035 119.508 120.400 -1.427 0.000 2.127 213 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 213 K C 0.548 176.386 176.600 -1.269 0.000 1.047 213 K CA 1.415 56.733 56.287 -1.616 0.000 0.927 213 K CB -0.377 30.956 32.500 -1.944 0.000 0.716 213 K HN 0.152 nan 8.250 nan 0.000 0.450 214 F N 0.303 120.005 119.950 -0.413 0.000 2.923 214 F HA 0.171 4.698 4.527 -0.000 0.000 0.314 214 F C 1.245 176.923 175.800 -0.204 0.000 1.196 214 F CA -0.574 57.280 58.000 -0.243 0.000 1.320 214 F CB 0.436 39.313 39.000 -0.206 0.000 0.953 214 F HN 0.046 nan 8.300 nan 0.000 0.505 215 E N 1.321 121.441 120.200 -0.134 0.000 2.085 215 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 215 E C 1.700 178.295 176.600 -0.008 0.000 0.994 215 E CA 1.893 58.234 56.400 -0.099 0.000 0.801 215 E CB -0.030 29.625 29.700 -0.076 0.000 0.743 215 E HN 0.337 nan 8.360 nan 0.000 0.453 216 E N 0.289 120.491 120.200 0.004 0.000 2.401 216 E HA -0.168 4.182 4.350 -0.000 0.000 0.199 216 E C 1.125 177.730 176.600 0.008 0.000 1.023 216 E CA 0.892 57.301 56.400 0.015 0.000 0.859 216 E CB -0.088 29.625 29.700 0.021 0.000 0.780 216 E HN 0.457 nan 8.360 nan 0.000 0.523 217 D N 0.115 120.534 120.400 0.032 0.000 2.333 217 D HA 0.059 4.699 4.640 -0.000 0.000 0.208 217 D C 0.371 176.672 176.300 0.000 0.000 0.984 217 D CA 0.223 54.238 54.000 0.026 0.000 0.873 217 D CB 0.509 41.352 40.800 0.072 0.000 0.935 217 D HN 0.116 nan 8.370 nan 0.000 0.521 218 L N 0.796 122.032 121.223 0.021 0.000 2.309 218 L HA 0.283 4.623 4.340 -0.000 0.000 0.282 218 L C -0.442 176.534 176.870 0.177 0.000 1.036 218 L CA -0.982 53.924 54.840 0.110 0.000 0.806 218 L CB 1.012 43.112 42.059 0.068 0.000 1.220 218 L HN -0.161 nan 8.230 nan 0.000 0.429 219 Y N 2.234 122.636 120.300 0.170 0.000 2.442 219 Y HA 0.180 4.730 4.550 -0.000 0.000 0.330 219 Y C 0.453 176.425 175.900 0.119 0.000 1.129 219 Y CA 0.200 58.366 58.100 0.110 0.000 1.365 219 Y CB 0.511 38.998 38.460 0.045 0.000 1.233 219 Y HN 0.454 nan 8.280 nan 0.000 0.529 220 K N 2.517 123.005 120.400 0.148 0.000 2.259 220 K HA 0.530 4.849 4.320 -0.000 0.000 0.252 220 K C -1.428 175.086 176.600 -0.143 0.000 0.936 220 K CA -0.680 55.508 56.287 -0.166 0.000 0.810 220 K CB 1.048 33.380 32.500 -0.280 0.000 1.143 220 K HN 0.716 nan 8.250 nan 0.000 0.427 221 C N 4.557 123.721 119.300 -0.225 0.000 2.328 221 C HA 0.172 4.632 4.460 -0.000 0.000 0.446 221 C C 0.929 175.823 174.990 -0.161 0.000 1.090 221 C CA -0.598 58.332 59.018 -0.147 0.000 1.510 221 C CB -1.386 26.276 27.740 -0.130 0.000 1.543 221 C HN 0.994 nan 8.230 nan 0.000 0.533 222 E N 0.985 121.100 120.200 -0.141 0.000 2.200 222 E HA -0.292 4.058 4.350 -0.000 0.000 0.211 222 E C 2.258 178.803 176.600 -0.091 0.000 1.048 222 E CA 1.555 57.885 56.400 -0.116 0.000 0.851 222 E CB -0.128 29.529 29.700 -0.071 0.000 0.747 222 E HN 0.634 nan 8.360 nan 0.000 0.462 223 R N 0.342 120.796 120.500 -0.075 0.000 2.092 223 R HA -0.140 4.200 4.340 -0.000 0.000 0.231 223 R C 0.517 176.779 176.300 -0.062 0.000 1.119 223 R CA 1.881 57.946 56.100 -0.059 0.000 0.970 223 R CB 0.031 30.302 30.300 -0.049 0.000 0.864 223 R HN 0.230 nan 8.270 nan 0.000 0.440 224 D N -0.875 119.478 120.400 -0.078 0.000 2.369 224 D HA 0.031 4.671 4.640 -0.000 0.000 0.211 224 D C -0.476 175.775 176.300 -0.083 0.000 1.077 224 D CA -0.076 53.882 54.000 -0.070 0.000 0.842 224 D CB 0.063 40.823 40.800 -0.067 0.000 0.947 224 D HN 0.215 nan 8.370 nan 0.000 0.509 225 N N 0.956 119.586 118.700 -0.117 0.000 2.642 225 N HA -0.181 4.559 4.740 -0.000 0.000 0.269 225 N C -1.206 174.221 175.510 -0.138 0.000 1.073 225 N CA 0.177 53.143 53.050 -0.140 0.000 0.748 225 N CB -0.631 37.815 38.487 -0.069 0.000 0.894 225 N HN 0.251 nan 8.380 nan 0.000 0.548 226 L N 1.508 122.596 121.223 -0.224 0.000 2.424 226 L HA 0.535 4.874 4.340 -0.000 0.000 0.258 226 L C -1.057 175.641 176.870 -0.286 0.000 0.995 226 L CA -0.815 53.938 54.840 -0.145 0.000 0.821 226 L CB 1.694 43.703 42.059 -0.084 0.000 1.383 226 L HN 0.028 nan 8.230 nan 0.000 0.410 227 Y N 1.031 121.330 120.300 -0.002 0.000 2.509 227 Y HA 0.533 5.083 4.550 -0.000 0.000 0.341 227 Y C -0.180 175.724 175.900 0.005 0.000 1.038 227 Y CA -0.598 57.510 58.100 0.013 0.000 1.089 227 Y CB 1.927 40.400 38.460 0.022 0.000 1.241 227 Y HN 0.286 nan 8.280 nan 0.000 0.468 228 L N 4.274 125.598 121.223 0.168 0.000 2.349 228 L HA 0.361 4.701 4.340 -0.000 0.000 0.275 228 L C -0.055 176.918 176.870 0.171 0.000 1.115 228 L CA -0.612 54.256 54.840 0.047 0.000 0.820 228 L CB 0.586 42.556 42.059 -0.149 0.000 1.135 228 L HN 0.547 nan 8.230 nan 0.000 0.445 229 I N 2.004 122.673 120.570 0.166 0.000 2.634 229 I HA 0.213 4.383 4.170 -0.000 0.000 0.284 229 I C -1.805 174.387 176.117 0.125 0.000 1.124 229 I CA -1.380 59.995 61.300 0.124 0.000 1.417 229 I CB 0.576 38.609 38.000 0.055 0.000 1.396 229 I HN 0.456 nan 8.210 nan 0.000 0.571 230 P HA 0.094 nan 4.420 nan 0.000 0.267 230 P C 0.214 177.467 177.300 -0.079 0.000 1.289 230 P CA 0.395 63.514 63.100 0.031 0.000 0.866 230 P CB 0.578 32.319 31.700 0.068 0.000 1.309 231 T N -2.373 112.120 114.554 -0.102 0.000 3.168 231 T HA 0.437 4.787 4.350 -0.000 0.000 0.373 231 T C 0.290 174.922 174.700 -0.112 0.000 1.681 231 T CA 0.104 62.127 62.100 -0.128 0.000 1.135 231 T CB 0.386 69.223 68.868 -0.051 0.000 1.477 231 T HN -0.169 nan 8.240 nan 0.000 0.480 232 A N 2.040 124.777 122.820 -0.139 0.000 2.225 232 A HA 0.045 4.364 4.320 -0.000 0.000 0.215 232 A C 1.885 179.432 177.584 -0.062 0.000 1.164 232 A CA 1.863 53.837 52.037 -0.105 0.000 0.710 232 A CB -0.765 18.163 19.000 -0.121 0.000 0.780 232 A HN 0.910 nan 8.150 nan 0.000 0.473 233 E N 0.170 120.338 120.200 -0.053 0.000 2.077 233 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 233 E C 1.744 178.334 176.600 -0.017 0.000 0.989 233 E CA 1.636 58.017 56.400 -0.030 0.000 0.800 233 E CB -0.188 29.498 29.700 -0.023 0.000 0.746 233 E HN 0.349 nan 8.360 nan 0.000 0.452 234 V N 2.326 122.228 119.914 -0.018 0.000 2.214 234 V HA -0.209 3.911 4.120 -0.000 0.000 0.244 234 V C -0.562 175.525 176.094 -0.012 0.000 1.045 234 V CA 2.654 64.949 62.300 -0.009 0.000 0.993 234 V CB -1.515 30.305 31.823 -0.004 0.000 0.633 234 V HN 0.405 nan 8.190 nan 0.000 0.449 235 P HA -0.151 nan 4.420 nan 0.000 0.218 235 P C 1.790 179.062 177.300 -0.046 0.000 1.148 235 P CA 1.498 64.586 63.100 -0.021 0.000 0.822 235 P CB -0.013 31.685 31.700 -0.003 0.000 0.784 236 L N -0.323 120.877 121.223 -0.039 0.000 2.072 236 L HA -0.065 4.274 4.340 -0.000 0.000 0.205 236 L C 2.710 179.554 176.870 -0.043 0.000 1.079 236 L CA 2.047 56.860 54.840 -0.044 0.000 0.752 236 L CB -1.816 40.233 42.059 -0.016 0.000 0.906 236 L HN -0.030 nan 8.230 nan 0.000 0.436 237 T N -0.843 113.705 114.554 -0.010 0.000 2.737 237 T HA -0.137 4.213 4.350 -0.000 0.000 0.265 237 T C 1.495 176.197 174.700 0.003 0.000 1.038 237 T CA 1.515 63.629 62.100 0.024 0.000 1.144 237 T CB -0.337 68.552 68.868 0.035 0.000 0.866 237 T HN 0.242 nan 8.240 nan 0.000 0.434 238 N N 0.937 119.622 118.700 -0.024 0.000 2.571 238 N HA 0.109 4.849 4.740 -0.000 0.000 0.189 238 N C 1.274 176.725 175.510 -0.099 0.000 1.154 238 N CA -0.063 52.968 53.050 -0.032 0.000 0.907 238 N CB -0.343 38.131 38.487 -0.021 0.000 0.977 238 N HN 0.117 nan 8.380 nan 0.000 0.449 239 L N -0.290 120.800 121.223 -0.222 0.000 2.043 239 L HA -0.165 4.174 4.340 -0.000 0.000 0.212 239 L C 0.144 176.690 176.870 -0.540 0.000 1.075 239 L CA 1.657 56.217 54.840 -0.466 0.000 0.752 239 L CB -0.271 41.327 42.059 -0.769 0.000 0.891 239 L HN 0.265 nan 8.230 nan 0.000 0.432 240 Y N -0.295 120.032 120.300 0.045 0.000 2.764 240 Y HA 0.322 4.872 4.550 -0.000 0.000 0.350 240 Y C 0.547 176.481 175.900 0.056 0.000 0.982 240 Y CA -1.111 57.020 58.100 0.051 0.000 1.431 240 Y CB -0.685 37.811 38.460 0.060 0.000 1.326 240 Y HN 0.140 nan 8.280 nan 0.000 0.550 241 R N -1.129 119.431 120.500 0.100 0.000 2.539 241 R HA 0.376 4.716 4.340 -0.000 0.000 0.275 241 R C 0.062 176.418 176.300 0.095 0.000 1.077 241 R CA -0.723 55.428 56.100 0.086 0.000 1.097 241 R CB 0.424 30.745 30.300 0.036 0.000 1.018 241 R HN 0.232 nan 8.270 nan 0.000 0.483 242 E N -0.405 119.851 120.200 0.094 0.000 2.320 242 E HA -0.236 4.114 4.350 -0.000 0.000 0.234 242 E C -1.356 175.307 176.600 0.105 0.000 1.183 242 E CA 1.302 57.757 56.400 0.090 0.000 0.713 242 E CB -0.980 28.758 29.700 0.063 0.000 1.226 242 E HN 0.742 nan 8.360 nan 0.000 0.382 243 E N -0.437 119.844 120.200 0.134 0.000 2.392 243 E HA 0.509 4.859 4.350 -0.000 0.000 0.269 243 E C -0.469 176.205 176.600 0.123 0.000 0.924 243 E CA -1.084 55.395 56.400 0.130 0.000 0.784 243 E CB 1.282 31.085 29.700 0.171 0.000 1.292 243 E HN 0.009 nan 8.360 nan 0.000 0.447 244 I N 3.159 123.784 120.570 0.092 0.000 2.405 244 I HA 0.274 4.444 4.170 -0.000 0.000 0.280 244 I C -0.422 175.740 176.117 0.076 0.000 1.027 244 I CA -0.288 61.061 61.300 0.081 0.000 1.161 244 I CB 0.396 38.424 38.000 0.047 0.000 1.300 244 I HN 0.387 nan 8.210 nan 0.000 0.463 245 L N 4.671 125.955 121.223 0.101 0.000 2.399 245 L HA 0.336 4.676 4.340 -0.000 0.000 0.266 245 L C 0.534 177.455 176.870 0.084 0.000 1.114 245 L CA -0.796 54.072 54.840 0.046 0.000 0.804 245 L CB 0.813 42.861 42.059 -0.017 0.000 1.146 245 L HN 0.403 nan 8.230 nan 0.000 0.451 246 K N 1.832 122.241 120.400 0.016 0.000 2.316 246 K HA 0.021 4.341 4.320 -0.000 0.000 0.289 246 K C 0.920 177.516 176.600 -0.006 0.000 1.070 246 K CA 0.138 56.441 56.287 0.026 0.000 0.928 246 K CB 0.753 33.250 32.500 -0.005 0.000 1.039 246 K HN 0.528 nan 8.250 nan 0.000 0.480 247 E N 3.157 123.386 120.200 0.049 0.000 2.233 247 E HA -0.299 4.050 4.350 -0.000 0.000 0.199 247 E C 0.422 176.973 176.600 -0.081 0.000 1.004 247 E CA 1.429 57.800 56.400 -0.049 0.000 0.819 247 E CB 0.330 30.086 29.700 0.092 0.000 0.738 247 E HN 0.662 nan 8.360 nan 0.000 0.478 248 E N 0.396 120.568 120.200 -0.046 0.000 2.118 248 E HA -0.201 4.148 4.350 -0.000 0.000 0.195 248 E C 1.694 178.237 176.600 -0.094 0.000 0.992 248 E CA 1.167 57.531 56.400 -0.061 0.000 0.804 248 E CB -0.549 29.126 29.700 -0.041 0.000 0.741 248 E HN 0.523 nan 8.360 nan 0.000 0.458 249 N N 0.276 118.914 118.700 -0.104 0.000 2.142 249 N HA -0.095 4.645 4.740 -0.000 0.000 0.186 249 N C 0.174 175.581 175.510 -0.173 0.000 1.023 249 N CA -0.098 52.872 53.050 -0.134 0.000 0.852 249 N CB -0.054 38.348 38.487 -0.142 0.000 0.998 249 N HN -0.009 nan 8.380 nan 0.000 0.424 250 L N 2.145 123.255 121.223 -0.190 0.000 2.506 250 L HA 0.052 4.391 4.340 -0.000 0.000 0.281 250 L C -1.605 175.141 176.870 -0.206 0.000 1.228 250 L CA -0.875 53.841 54.840 -0.206 0.000 0.850 250 L CB -0.489 41.415 42.059 -0.258 0.000 1.110 250 L HN 0.125 nan 8.230 nan 0.000 0.496 251 P HA 0.297 nan 4.420 nan 0.000 0.278 251 P C -0.849 176.294 177.300 -0.261 0.000 1.258 251 P CA -0.408 62.572 63.100 -0.199 0.000 0.811 251 P CB 1.135 32.757 31.700 -0.131 0.000 1.063 252 I N 1.698 122.223 120.570 -0.076 0.000 2.390 252 I HA 0.230 4.400 4.170 -0.000 0.000 0.283 252 I C -0.506 175.749 176.117 0.230 0.000 1.016 252 I CA -0.800 60.496 61.300 -0.006 0.000 1.151 252 I CB 0.620 38.642 38.000 0.037 0.000 1.293 252 I HN 0.193 nan 8.210 nan 0.000 0.458 253 Y N 7.152 127.463 120.300 0.017 0.000 2.331 253 Y HA 0.663 5.212 4.550 -0.000 0.000 0.338 253 Y C 0.143 176.149 175.900 0.178 0.000 0.992 253 Y CA -1.502 56.626 58.100 0.047 0.000 1.121 253 Y CB 1.369 39.674 38.460 -0.259 0.000 1.184 253 Y HN 0.337 nan 8.280 nan 0.000 0.469 254 L N 0.266 121.760 121.223 0.451 0.000 2.465 254 L HA 0.932 5.272 4.340 -0.000 0.000 0.257 254 L C -0.898 176.091 176.870 0.197 0.000 0.988 254 L CA -0.697 54.329 54.840 0.310 0.000 0.827 254 L CB 2.482 44.662 42.059 0.201 0.000 1.397 254 L HN 0.494 nan 8.230 nan 0.000 0.410 255 T N 0.479 115.090 114.554 0.096 0.000 2.887 255 T HA 0.961 5.311 4.350 -0.000 0.000 0.292 255 T C -1.286 173.405 174.700 -0.016 0.000 1.087 255 T CA 0.170 62.227 62.100 -0.071 0.000 1.009 255 T CB 2.009 70.772 68.868 -0.176 0.000 1.203 255 T HN 1.373 nan 8.240 nan 0.000 0.518 256 A N 1.377 124.171 122.820 -0.042 0.000 2.569 256 A HA 0.575 4.895 4.320 -0.000 0.000 0.292 256 A C -2.302 175.291 177.584 0.016 0.000 1.032 256 A CA -0.709 51.328 52.037 0.001 0.000 0.669 256 A CB 0.688 19.678 19.000 -0.018 0.000 1.290 256 A HN 1.060 nan 8.150 nan 0.000 0.422 257 Y N 1.211 121.491 120.300 -0.033 0.000 2.352 257 Y HA 0.771 5.321 4.550 -0.000 0.000 0.339 257 Y C -0.013 175.852 175.900 -0.059 0.000 0.992 257 Y CA 0.059 58.126 58.100 -0.054 0.000 1.100 257 Y CB 1.913 40.351 38.460 -0.035 0.000 1.192 257 Y HN 1.478 nan 8.280 nan 0.000 0.458 258 T N 3.836 117.728 114.554 -1.104 0.000 2.889 258 T HA 0.587 4.936 4.350 -0.000 0.000 0.315 258 T C -3.389 170.692 174.700 -1.030 0.000 1.291 258 T CA -2.238 59.127 62.100 -1.226 0.000 1.028 258 T CB 1.949 70.391 68.868 -0.710 0.000 1.235 258 T HN 0.386 nan 8.240 nan 0.000 0.491 259 P HA 0.499 nan 4.420 nan 0.000 0.275 259 P C -0.699 175.965 177.300 -1.060 0.000 1.227 259 P CA -0.444 62.175 63.100 -0.802 0.000 0.781 259 P CB 0.374 31.654 31.700 -0.701 0.000 0.906 260 C N 3.345 121.933 119.300 -1.186 0.000 2.382 260 C HA 0.499 4.959 4.460 -0.000 0.000 0.327 260 C C -0.654 173.772 174.990 -0.941 0.000 1.250 260 C CA -0.286 58.064 59.018 -1.113 0.000 1.707 260 C CB -0.381 26.388 27.740 -1.618 0.000 2.272 260 C HN 0.518 nan 8.230 nan 0.000 0.506 261 Y N 2.110 122.286 120.300 -0.208 0.000 2.328 261 Y HA 0.635 5.185 4.550 -0.000 0.000 0.336 261 Y C 0.587 176.641 175.900 0.257 0.000 0.960 261 Y CA -0.594 57.515 58.100 0.015 0.000 1.134 261 Y CB 0.883 39.307 38.460 -0.060 0.000 1.166 261 Y HN 0.463 nan 8.280 nan 0.000 0.464 262 R N 2.385 123.218 120.500 0.554 0.000 2.575 262 R HA 0.416 4.756 4.340 -0.000 0.000 0.293 262 R C 0.365 176.931 176.300 0.443 0.000 0.983 262 R CA -1.059 55.306 56.100 0.442 0.000 0.887 262 R CB 2.199 32.694 30.300 0.325 0.000 1.184 262 R HN 0.688 nan 8.270 nan 0.000 0.445 263 R N 1.173 121.682 120.500 0.015 0.000 2.285 263 R HA -0.095 4.245 4.340 -0.000 0.000 0.213 263 R C -0.034 176.323 176.300 0.095 0.000 1.068 263 R CA 0.345 56.280 56.100 -0.276 0.000 1.004 263 R CB -0.107 29.949 30.300 -0.407 0.000 0.873 263 R HN 0.676 nan 8.270 nan 0.000 0.467 264 E N -0.030 120.266 120.200 0.160 0.000 2.216 264 E HA -0.250 4.100 4.350 -0.000 0.000 0.219 264 E C 0.797 177.477 176.600 0.132 0.000 1.317 264 E CA 0.579 57.060 56.400 0.134 0.000 0.716 264 E CB -1.065 28.701 29.700 0.110 0.000 1.135 264 E HN 0.402 nan 8.360 nan 0.000 0.359 265 A N -0.552 122.325 122.820 0.094 0.000 2.019 265 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 265 A C 2.227 179.883 177.584 0.120 0.000 1.164 265 A CA 1.796 53.892 52.037 0.099 0.000 0.644 265 A CB -0.417 18.614 19.000 0.051 0.000 0.805 265 A HN 0.523 nan 8.150 nan 0.000 0.449 266 G N -0.356 108.502 108.800 0.096 0.000 2.404 266 G HA2 0.238 4.198 3.960 -0.000 0.000 0.213 266 G HA3 0.238 4.198 3.960 -0.000 0.000 0.213 266 G C 1.021 175.990 174.900 0.114 0.000 1.189 266 G CA 0.555 45.711 45.100 0.093 0.000 0.796 266 G HN 0.961 nan 8.290 nan 0.000 0.532 267 A N 0.164 123.028 122.820 0.073 0.000 2.701 267 A HA 0.301 4.621 4.320 -0.000 0.000 0.290 267 A C -0.842 176.781 177.584 0.066 0.000 1.534 267 A CA 0.118 52.177 52.037 0.037 0.000 1.137 267 A CB -1.038 17.944 19.000 -0.030 0.000 1.032 267 A HN 0.403 nan 8.150 nan 0.000 0.580 268 Y N 1.351 121.640 120.300 -0.018 0.000 2.328 268 Y HA 0.469 5.018 4.550 -0.000 0.000 0.333 268 Y C 1.242 177.125 175.900 -0.029 0.000 0.958 268 Y CA 0.458 58.549 58.100 -0.015 0.000 1.167 268 Y CB 1.423 39.882 38.460 -0.002 0.000 1.151 268 Y HN 1.035 nan 8.280 nan 0.000 0.470 269 G N 3.808 112.439 108.800 -0.282 0.000 2.328 269 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.256 269 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.256 269 G C 0.183 175.015 174.900 -0.114 0.000 1.014 269 G CA 0.099 45.102 45.100 -0.161 0.000 0.620 269 G HN 0.416 nan 8.290 nan 0.000 0.530 270 K N 1.444 121.793 120.400 -0.085 0.000 2.205 270 K HA 0.377 4.697 4.320 -0.000 0.000 0.279 270 K C 0.309 176.832 176.600 -0.129 0.000 1.027 270 K CA -0.187 56.049 56.287 -0.086 0.000 0.932 270 K CB 0.690 33.159 32.500 -0.051 0.000 1.032 270 K HN 0.319 nan 8.250 nan 0.000 0.466 271 D N 2.169 122.483 120.400 -0.143 0.000 2.737 271 D HA -0.216 4.424 4.640 -0.000 0.000 0.238 271 D C 0.582 176.750 176.300 -0.221 0.000 1.157 271 D CA 0.359 54.255 54.000 -0.175 0.000 0.694 271 D CB -0.620 40.088 40.800 -0.153 0.000 1.021 271 D HN 0.451 nan 8.370 nan 0.000 0.420 272 I N -0.070 120.342 120.570 -0.263 0.000 3.578 272 I HA -0.016 4.154 4.170 -0.000 0.000 0.295 272 I C 2.071 177.953 176.117 -0.390 0.000 1.280 272 I CA 0.797 61.924 61.300 -0.287 0.000 1.347 272 I CB 0.110 37.953 38.000 -0.262 0.000 1.051 272 I HN 0.051 nan 8.210 nan 0.000 0.460 273 R N -0.971 119.173 120.500 -0.592 0.000 2.404 273 R HA 0.292 4.632 4.340 -0.000 0.000 0.237 273 R C 1.102 176.732 176.300 -1.117 0.000 0.907 273 R CA 0.468 55.966 56.100 -1.003 0.000 1.063 273 R CB 0.472 29.867 30.300 -1.509 0.000 1.134 273 R HN 0.421 nan 8.270 nan 0.000 0.529 274 G N 0.395 108.899 108.800 -0.492 0.000 3.410 274 G HA2 0.243 4.203 3.960 -0.000 0.000 0.189 274 G HA3 0.243 4.203 3.960 -0.000 0.000 0.189 274 G C 0.458 175.619 174.900 0.435 0.000 1.404 274 G CA -0.265 44.924 45.100 0.148 0.000 0.898 274 G HN 0.194 nan 8.290 nan 0.000 0.650 275 I N -1.448 119.423 120.570 0.501 0.000 3.817 275 I HA 0.459 4.628 4.170 -0.000 0.000 0.322 275 I C 0.692 176.832 176.117 0.038 0.000 1.512 275 I CA -0.141 61.291 61.300 0.220 0.000 1.066 275 I CB 0.387 38.504 38.000 0.196 0.000 1.336 275 I HN 0.197 nan 8.210 nan 0.000 0.539 276 I N 0.955 121.527 120.570 0.004 0.000 2.761 276 I HA 0.117 4.287 4.170 -0.000 0.000 0.261 276 I C 0.776 176.769 176.117 -0.207 0.000 1.198 276 I CA 0.793 62.012 61.300 -0.134 0.000 1.482 276 I CB 0.007 37.900 38.000 -0.178 0.000 1.100 276 I HN 0.234 nan 8.210 nan 0.000 0.445 277 R N 1.804 122.193 120.500 -0.185 0.000 2.521 277 R HA 0.407 4.747 4.340 -0.000 0.000 0.295 277 R C -0.977 175.182 176.300 -0.235 0.000 1.183 277 R CA -0.249 55.713 56.100 -0.229 0.000 0.957 277 R CB 1.835 32.020 30.300 -0.192 0.000 1.171 277 R HN 0.088 nan 8.270 nan 0.000 0.494 278 Q N 0.352 120.003 119.800 -0.249 0.000 2.484 278 Q HA 0.277 4.616 4.340 -0.000 0.000 0.285 278 Q C 0.362 176.220 176.000 -0.237 0.000 1.097 278 Q CA -0.728 54.910 55.803 -0.275 0.000 0.802 278 Q CB 1.749 30.397 28.738 -0.149 0.000 1.444 278 Q HN 0.616 nan 8.270 nan 0.000 0.429 279 H N -0.353 118.533 119.070 -0.308 0.000 2.548 279 H HA 0.082 4.638 4.556 -0.000 0.000 0.268 279 H C 0.187 175.410 175.328 -0.175 0.000 0.975 279 H CA 0.417 56.323 56.048 -0.238 0.000 1.195 279 H CB 0.895 30.342 29.762 -0.524 0.000 1.397 279 H HN 0.283 nan 8.280 nan 0.000 0.572 280 Q N 0.747 120.453 119.800 -0.156 0.000 2.271 280 Q HA 0.361 4.700 4.340 -0.000 0.000 0.268 280 Q C -1.814 174.196 176.000 0.017 0.000 1.021 280 Q CA -0.996 54.723 55.803 -0.141 0.000 0.802 280 Q CB 1.473 30.168 28.738 -0.072 0.000 1.282 280 Q HN 0.186 nan 8.270 nan 0.000 0.431 281 F N 0.047 119.860 119.950 -0.229 0.000 2.641 281 F HA 0.576 5.103 4.527 -0.000 0.000 0.308 281 F C -1.319 174.415 175.800 -0.110 0.000 1.105 281 F CA -1.169 56.748 58.000 -0.137 0.000 0.964 281 F CB 1.104 40.040 39.000 -0.107 0.000 1.294 281 F HN 0.255 nan 8.300 nan 0.000 0.442 282 D N 2.014 122.485 120.400 0.119 0.000 2.304 282 D HA 0.419 5.059 4.640 -0.000 0.000 0.247 282 D C -0.899 175.511 176.300 0.184 0.000 1.089 282 D CA -0.109 53.983 54.000 0.152 0.000 0.910 282 D CB 1.814 42.720 40.800 0.176 0.000 1.199 282 D HN 0.760 nan 8.370 nan 0.000 0.426 283 K N 0.522 121.010 120.400 0.147 0.000 2.561 283 K HA 0.323 4.642 4.320 -0.000 0.000 0.254 283 K C -1.974 174.682 176.600 0.093 0.000 0.942 283 K CA -0.636 55.722 56.287 0.118 0.000 0.818 283 K CB 1.525 34.083 32.500 0.098 0.000 1.306 283 K HN 0.114 nan 8.250 nan 0.000 0.435 284 V N 3.643 123.596 119.914 0.064 0.000 2.318 284 V HA 0.196 4.316 4.120 -0.000 0.000 0.271 284 V C 0.114 176.149 176.094 -0.099 0.000 1.030 284 V CA -0.478 61.831 62.300 0.015 0.000 0.844 284 V CB 0.810 32.647 31.823 0.024 0.000 1.015 284 V HN 0.795 nan 8.190 nan 0.000 0.460 285 E N 4.905 125.031 120.200 -0.122 0.000 2.342 285 E HA 0.615 4.965 4.350 -0.000 0.000 0.257 285 E C -1.039 175.388 176.600 -0.288 0.000 1.150 285 E CA -0.247 56.053 56.400 -0.166 0.000 0.926 285 E CB 1.044 30.674 29.700 -0.117 0.000 1.074 285 E HN 0.553 nan 8.360 nan 0.000 0.449 286 L N 1.946 122.995 121.223 -0.291 0.000 2.476 286 L HA 0.478 4.818 4.340 -0.000 0.000 0.269 286 L C -1.431 175.340 176.870 -0.165 0.000 0.965 286 L CA -0.946 53.652 54.840 -0.404 0.000 0.845 286 L CB 2.002 43.696 42.059 -0.609 0.000 1.259 286 L HN 0.297 nan 8.230 nan 0.000 0.403 287 V N 2.881 122.769 119.914 -0.044 0.000 2.656 287 V HA 0.538 4.658 4.120 -0.000 0.000 0.307 287 V C -0.466 175.719 176.094 0.152 0.000 1.051 287 V CA -0.822 61.507 62.300 0.048 0.000 0.893 287 V CB 2.471 34.324 31.823 0.049 0.000 0.999 287 V HN 0.614 nan 8.190 nan 0.000 0.426 288 K N 4.376 124.854 120.400 0.129 0.000 2.378 288 K HA 0.697 5.017 4.320 -0.000 0.000 0.252 288 K C -1.428 175.277 176.600 0.174 0.000 0.931 288 K CA -0.629 55.767 56.287 0.182 0.000 0.794 288 K CB 2.789 35.346 32.500 0.095 0.000 1.181 288 K HN 0.501 nan 8.250 nan 0.000 0.425 289 I N 3.689 124.382 120.570 0.204 0.000 2.464 289 I HA 0.161 4.331 4.170 -0.000 0.000 0.277 289 I C -0.165 176.018 176.117 0.110 0.000 1.040 289 I CA -0.810 60.585 61.300 0.158 0.000 1.153 289 I CB 1.371 39.473 38.000 0.171 0.000 1.274 289 I HN 0.337 nan 8.210 nan 0.000 0.469 290 V N 2.294 122.273 119.914 0.109 0.000 3.204 290 V HA 0.544 4.664 4.120 -0.000 0.000 0.316 290 V C -0.299 175.792 176.094 -0.005 0.000 1.160 290 V CA -0.692 61.649 62.300 0.068 0.000 1.044 290 V CB 1.827 33.725 31.823 0.126 0.000 1.136 290 V HN 0.604 nan 8.190 nan 0.000 0.455 291 H N 1.550 120.523 119.070 -0.162 0.000 2.620 291 H HA 0.405 4.961 4.556 -0.000 0.000 0.313 291 H C -2.163 173.075 175.328 -0.149 0.000 1.075 291 H CA -1.431 54.464 56.048 -0.256 0.000 1.397 291 H CB 1.905 31.498 29.762 -0.283 0.000 1.446 291 H HN 0.442 nan 8.280 nan 0.000 0.493 292 P HA -0.246 nan 4.420 nan 0.000 0.222 292 P C 0.889 178.197 177.300 0.014 0.000 1.157 292 P CA 1.890 64.624 63.100 -0.609 0.000 0.905 292 P CB 0.366 31.692 31.700 -0.624 0.000 0.792 293 D N -2.005 118.599 120.400 0.340 0.000 2.221 293 D HA -0.125 4.515 4.640 -0.000 0.000 0.204 293 D C 1.860 178.283 176.300 0.205 0.000 0.982 293 D CA 1.908 56.066 54.000 0.264 0.000 0.857 293 D CB -0.954 39.969 40.800 0.205 0.000 0.934 293 D HN 0.318 nan 8.370 nan 0.000 0.475 294 T N -2.515 112.152 114.554 0.188 0.000 3.060 294 T HA 0.076 4.426 4.350 -0.000 0.000 0.249 294 T C 1.831 176.620 174.700 0.148 0.000 1.079 294 T CA 0.734 62.917 62.100 0.138 0.000 1.013 294 T CB 0.148 69.068 68.868 0.087 0.000 0.975 294 T HN -0.089 nan 8.240 nan 0.000 0.518 295 S N 0.841 116.648 115.700 0.179 0.000 2.434 295 S HA -0.250 4.220 4.470 -0.000 0.000 0.240 295 S C 1.537 176.100 174.600 -0.061 0.000 1.052 295 S CA 2.126 60.386 58.200 0.100 0.000 1.198 295 S CB -0.875 62.486 63.200 0.267 0.000 1.124 295 S HN 0.734 nan 8.310 nan 0.000 0.426 296 Y N 1.367 121.742 120.300 0.126 0.000 2.333 296 Y HA -0.055 4.494 4.550 -0.000 0.000 0.290 296 Y C 2.495 178.436 175.900 0.068 0.000 1.144 296 Y CA 1.205 59.346 58.100 0.068 0.000 1.228 296 Y CB -0.516 37.953 38.460 0.014 0.000 0.985 296 Y HN 0.419 nan 8.280 nan 0.000 0.542 297 D N 0.099 120.605 120.400 0.178 0.000 2.123 297 D HA -0.148 4.491 4.640 -0.000 0.000 0.200 297 D C 1.790 178.133 176.300 0.071 0.000 0.976 297 D CA 1.236 55.307 54.000 0.118 0.000 0.831 297 D CB 0.026 40.885 40.800 0.099 0.000 0.974 297 D HN 0.191 nan 8.370 nan 0.000 0.469 298 E N 0.377 120.611 120.200 0.057 0.000 2.160 298 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 298 E C 2.261 178.855 176.600 -0.009 0.000 0.991 298 E CA 0.212 56.620 56.400 0.014 0.000 0.810 298 E CB -0.326 29.391 29.700 0.028 0.000 0.742 298 E HN 0.424 nan 8.360 nan 0.000 0.466 299 L N 1.170 122.399 121.223 0.010 0.000 1.976 299 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 299 L C 2.264 179.160 176.870 0.044 0.000 1.071 299 L CA 1.454 56.314 54.840 0.033 0.000 0.746 299 L CB -0.122 41.979 42.059 0.069 0.000 0.890 299 L HN -0.017 nan 8.230 nan 0.000 0.432 300 E N 0.584 120.820 120.200 0.059 0.000 2.065 300 E HA -0.297 4.053 4.350 -0.000 0.000 0.201 300 E C 2.093 178.666 176.600 -0.045 0.000 1.016 300 E CA 1.598 57.989 56.400 -0.015 0.000 0.818 300 E CB -0.342 29.369 29.700 0.017 0.000 0.749 300 E HN 0.472 nan 8.360 nan 0.000 0.453 301 K N 0.415 120.802 120.400 -0.022 0.000 2.074 301 K HA -0.139 4.181 4.320 -0.000 0.000 0.209 301 K C 2.367 178.941 176.600 -0.043 0.000 1.048 301 K CA 1.018 57.285 56.287 -0.034 0.000 0.926 301 K CB -0.367 32.109 32.500 -0.040 0.000 0.713 301 K HN 0.047 nan 8.250 nan 0.000 0.444 302 L N 0.775 121.969 121.223 -0.047 0.000 2.012 302 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 302 L C 2.040 178.877 176.870 -0.055 0.000 1.073 302 L CA 1.301 56.118 54.840 -0.038 0.000 0.748 302 L CB -0.149 41.888 42.059 -0.036 0.000 0.891 302 L HN -0.015 nan 8.230 nan 0.000 0.431 303 V N -0.499 119.368 119.914 -0.078 0.000 2.515 303 V HA -0.261 3.859 4.120 -0.000 0.000 0.250 303 V C 2.492 178.516 176.094 -0.117 0.000 1.058 303 V CA 1.658 63.886 62.300 -0.119 0.000 1.064 303 V CB -0.716 30.973 31.823 -0.223 0.000 0.675 303 V HN 0.417 nan 8.190 nan 0.000 0.461 304 K N -0.184 120.165 120.400 -0.086 0.000 2.057 304 K HA -0.148 4.171 4.320 -0.000 0.000 0.206 304 K C 1.923 178.496 176.600 -0.046 0.000 1.050 304 K CA 1.423 57.674 56.287 -0.059 0.000 0.935 304 K CB -0.337 32.143 32.500 -0.032 0.000 0.715 304 K HN 0.462 nan 8.250 nan 0.000 0.439 305 D N 0.818 121.210 120.400 -0.013 0.000 2.149 305 D HA -0.146 4.493 4.640 -0.000 0.000 0.198 305 D C 1.771 178.088 176.300 0.029 0.000 0.990 305 D CA 1.179 55.208 54.000 0.049 0.000 0.839 305 D CB 0.063 40.938 40.800 0.126 0.000 0.948 305 D HN 0.187 nan 8.370 nan 0.000 0.460 306 A N 1.145 123.934 122.820 -0.051 0.000 1.854 306 A HA -0.148 4.171 4.320 -0.000 0.000 0.214 306 A C 2.096 179.590 177.584 -0.149 0.000 1.192 306 A CA 1.105 53.091 52.037 -0.086 0.000 0.611 306 A CB -0.505 18.418 19.000 -0.129 0.000 0.832 306 A HN 0.121 nan 8.150 nan 0.000 0.442 307 E N -0.534 119.534 120.200 -0.219 0.000 2.086 307 E HA -0.313 4.037 4.350 -0.000 0.000 0.200 307 E C 1.966 178.402 176.600 -0.273 0.000 1.012 307 E CA 1.563 57.743 56.400 -0.367 0.000 0.812 307 E CB -0.189 29.356 29.700 -0.258 0.000 0.743 307 E HN 0.697 nan 8.360 nan 0.000 0.453 308 E N 0.902 121.007 120.200 -0.157 0.000 2.136 308 E HA -0.247 4.103 4.350 -0.000 0.000 0.208 308 E C 1.918 178.451 176.600 -0.111 0.000 1.035 308 E CA 1.973 58.301 56.400 -0.120 0.000 0.838 308 E CB -0.399 29.261 29.700 -0.067 0.000 0.748 308 E HN 0.106 nan 8.360 nan 0.000 0.459 309 V N 0.744 120.592 119.914 -0.110 0.000 2.231 309 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 309 V C 2.627 178.733 176.094 0.019 0.000 1.054 309 V CA 2.273 64.544 62.300 -0.048 0.000 1.015 309 V CB -0.714 31.070 31.823 -0.066 0.000 0.638 309 V HN 0.358 nan 8.190 nan 0.000 0.444 310 L N -0.611 120.553 121.223 -0.098 0.000 2.187 310 L HA -0.256 4.084 4.340 -0.000 0.000 0.213 310 L C 2.697 179.492 176.870 -0.126 0.000 1.100 310 L CA 1.552 56.344 54.840 -0.080 0.000 0.765 310 L CB -0.500 41.457 42.059 -0.171 0.000 0.904 310 L HN 0.496 nan 8.230 nan 0.000 0.437 311 Q N -0.715 118.890 119.800 -0.325 0.000 2.033 311 Q HA -0.146 4.193 4.340 -0.000 0.000 0.196 311 Q C 2.223 178.142 176.000 -0.136 0.000 0.970 311 Q CA 0.856 56.290 55.803 -0.615 0.000 0.828 311 Q CB -0.138 28.130 28.738 -0.783 0.000 0.895 311 Q HN 0.287 nan 8.270 nan 0.000 0.440 312 L N 0.518 121.731 121.223 -0.017 0.000 2.129 312 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 312 L C 1.984 178.870 176.870 0.027 0.000 1.087 312 L CA 1.296 56.184 54.840 0.079 0.000 0.757 312 L CB -0.565 41.643 42.059 0.248 0.000 0.896 312 L HN 0.234 nan 8.230 nan 0.000 0.434 313 L N -0.547 120.697 121.223 0.034 0.000 2.313 313 L HA 0.168 4.508 4.340 -0.000 0.000 0.214 313 L C 1.664 178.625 176.870 0.152 0.000 1.119 313 L CA 1.301 56.142 54.840 0.003 0.000 0.809 313 L CB -1.390 40.690 42.059 0.034 0.000 0.933 313 L HN 0.486 nan 8.230 nan 0.000 0.449 314 G N -0.069 108.866 108.800 0.224 0.000 2.171 314 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.238 314 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.238 314 G C 0.106 175.243 174.900 0.394 0.000 1.039 314 G CA 0.078 45.398 45.100 0.367 0.000 0.759 314 G HN 0.272 nan 8.290 nan 0.000 0.501 315 L N 0.556 122.001 121.223 0.369 0.000 2.276 315 L HA 0.390 4.730 4.340 -0.000 0.000 0.286 315 L C -2.078 175.092 176.870 0.498 0.000 1.024 315 L CA -2.264 52.789 54.840 0.355 0.000 0.826 315 L CB 1.745 43.951 42.059 0.245 0.000 1.211 315 L HN -0.148 nan 8.230 nan 0.000 0.422 316 P HA -0.002 nan 4.420 nan 0.000 0.262 316 P C -1.374 176.297 177.300 0.619 0.000 1.182 316 P CA 0.474 63.833 63.100 0.431 0.000 0.761 316 P CB 0.222 31.995 31.700 0.122 0.000 0.795 317 Y N 1.288 121.948 120.300 0.601 0.000 2.670 317 Y HA 0.755 5.305 4.550 -0.000 0.000 0.334 317 Y C -1.048 175.074 175.900 0.370 0.000 1.185 317 Y CA -1.629 56.827 58.100 0.592 0.000 1.053 317 Y CB 1.561 40.220 38.460 0.333 0.000 1.298 317 Y HN 0.415 nan 8.280 nan 0.000 0.459 318 R N 1.296 122.040 120.500 0.406 0.000 2.698 318 R HA 0.858 5.198 4.340 -0.000 0.000 0.275 318 R C -2.336 174.085 176.300 0.200 0.000 1.001 318 R CA -0.999 55.114 56.100 0.021 0.000 0.896 318 R CB 2.184 32.114 30.300 -0.618 0.000 1.218 318 R HN 0.597 nan 8.270 nan 0.000 0.462 319 V N 2.629 122.645 119.914 0.171 0.000 2.630 319 V HA 0.615 4.735 4.120 -0.000 0.000 0.305 319 V C -0.305 175.859 176.094 0.116 0.000 1.046 319 V CA -0.539 61.851 62.300 0.151 0.000 0.934 319 V CB 1.737 33.642 31.823 0.137 0.000 1.003 319 V HN 0.682 nan 8.190 nan 0.000 0.451 320 V N 1.425 121.428 119.914 0.149 0.000 2.733 320 V HA 0.654 4.774 4.120 -0.000 0.000 0.306 320 V C -0.697 175.508 176.094 0.186 0.000 1.084 320 V CA -0.800 61.585 62.300 0.140 0.000 0.905 320 V CB 1.738 33.608 31.823 0.079 0.000 1.010 320 V HN 0.956 nan 8.190 nan 0.000 0.424 321 E N 4.620 124.913 120.200 0.155 0.000 2.229 321 E HA 0.548 4.898 4.350 -0.000 0.000 0.283 321 E C -0.875 175.704 176.600 -0.035 0.000 1.030 321 E CA -0.712 55.680 56.400 -0.013 0.000 0.836 321 E CB 1.351 30.988 29.700 -0.105 0.000 1.068 321 E HN 0.822 nan 8.360 nan 0.000 0.401 322 L N 4.906 126.088 121.223 -0.070 0.000 2.380 322 L HA 0.224 4.564 4.340 -0.000 0.000 0.273 322 L C 0.523 177.365 176.870 -0.048 0.000 1.138 322 L CA -1.112 53.703 54.840 -0.041 0.000 0.832 322 L CB 0.368 42.404 42.059 -0.038 0.000 1.124 322 L HN 0.770 nan 8.230 nan 0.000 0.454 323 C N 0.148 119.435 119.300 -0.023 0.000 2.604 323 C HA 0.201 4.661 4.460 -0.000 0.000 0.396 323 C C 2.075 177.052 174.990 -0.021 0.000 1.282 323 C CA -0.076 58.931 59.018 -0.018 0.000 2.292 323 C CB 0.648 28.386 27.740 -0.004 0.000 2.633 323 C HN 1.015 nan 8.230 nan 0.000 0.620 324 T N 0.096 114.638 114.554 -0.019 0.000 2.721 324 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 324 T C 1.729 176.420 174.700 -0.014 0.000 1.038 324 T CA 2.042 64.128 62.100 -0.023 0.000 1.145 324 T CB -1.190 67.666 68.868 -0.020 0.000 0.858 324 T HN 1.238 nan 8.240 nan 0.000 0.459 325 G N 0.429 109.227 108.800 -0.004 0.000 2.509 325 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.218 325 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.218 325 G C 1.144 176.052 174.900 0.012 0.000 1.124 325 G CA 0.890 45.994 45.100 0.007 0.000 0.776 325 G HN 0.660 nan 8.290 nan 0.000 0.547 326 D N -1.511 118.890 120.400 0.002 0.000 2.474 326 D HA 0.116 4.756 4.640 -0.000 0.000 0.213 326 D C 2.077 178.371 176.300 -0.011 0.000 1.120 326 D CA -0.480 53.521 54.000 0.002 0.000 0.836 326 D CB 0.111 40.912 40.800 0.001 0.000 1.019 326 D HN -0.014 nan 8.370 nan 0.000 0.507 327 L N 1.285 122.493 121.223 -0.025 0.000 2.058 327 L HA -0.017 4.323 4.340 -0.000 0.000 0.226 327 L C 1.039 177.877 176.870 -0.053 0.000 1.089 327 L CA 2.453 57.263 54.840 -0.050 0.000 0.799 327 L CB -0.660 41.357 42.059 -0.070 0.000 0.900 327 L HN 0.300 nan 8.230 nan 0.000 0.442 328 G N -3.769 105.014 108.800 -0.028 0.000 3.444 328 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.685 328 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.685 328 G C 0.233 175.126 174.900 -0.010 0.000 1.145 328 G CA -0.166 44.922 45.100 -0.020 0.000 0.973 328 G HN 0.305 nan 8.290 nan 0.000 0.525 329 F N 2.179 122.109 119.950 -0.033 0.000 2.071 329 F HA -0.286 4.241 4.527 -0.000 0.000 0.291 329 F C 2.494 178.164 175.800 -0.217 0.000 1.070 329 F CA 3.404 61.409 58.000 0.007 0.000 1.262 329 F CB 0.055 39.232 39.000 0.294 0.000 0.983 329 F HN 0.711 nan 8.300 nan 0.000 0.493 330 S N -0.637 114.949 115.700 -0.191 0.000 2.524 330 S HA 0.464 4.934 4.470 -0.000 0.000 0.215 330 S C 0.634 174.970 174.600 -0.441 0.000 0.986 330 S CA 0.068 57.994 58.200 -0.456 0.000 0.911 330 S CB -0.599 62.628 63.200 0.045 0.000 0.805 330 S HN 0.472 nan 8.310 nan 0.000 0.501 331 A N 0.404 123.048 122.820 -0.294 0.000 2.351 331 A HA 0.757 5.077 4.320 -0.000 0.000 0.257 331 A C 1.028 178.469 177.584 -0.237 0.000 1.087 331 A CA 0.222 52.132 52.037 -0.211 0.000 0.798 331 A CB 0.431 19.349 19.000 -0.135 0.000 1.033 331 A HN 0.593 nan 8.150 nan 0.000 0.488 332 A N 0.810 123.541 122.820 -0.147 0.000 2.211 332 A HA 0.496 4.816 4.320 -0.000 0.000 0.208 332 A C 0.630 178.227 177.584 0.022 0.000 1.250 332 A CA 0.910 52.910 52.037 -0.061 0.000 0.935 332 A CB 0.169 19.175 19.000 0.009 0.000 0.982 332 A HN 0.798 nan 8.150 nan 0.000 0.490 333 K N -0.827 119.556 120.400 -0.028 0.000 2.583 333 K HA 0.464 4.784 4.320 -0.000 0.000 0.260 333 K C -1.790 174.723 176.600 -0.146 0.000 0.931 333 K CA 0.107 56.353 56.287 -0.068 0.000 0.849 333 K CB 1.570 34.084 32.500 0.024 0.000 1.347 333 K HN 0.122 nan 8.250 nan 0.000 0.425 334 T N 2.586 116.996 114.554 -0.240 0.000 3.291 334 T HA 0.469 4.819 4.350 -0.000 0.000 0.344 334 T C -1.897 172.678 174.700 -0.207 0.000 1.293 334 T CA -0.501 61.490 62.100 -0.181 0.000 1.108 334 T CB 0.386 69.206 68.868 -0.082 0.000 1.231 334 T HN 0.385 nan 8.240 nan 0.000 0.474 335 Y N 2.160 122.456 120.300 -0.006 0.000 2.420 335 Y HA 0.683 5.233 4.550 -0.000 0.000 0.334 335 Y C 0.281 176.177 175.900 -0.006 0.000 1.094 335 Y CA -0.782 57.319 58.100 0.002 0.000 1.126 335 Y CB 1.332 39.797 38.460 0.008 0.000 1.217 335 Y HN 0.533 nan 8.280 nan 0.000 0.462 336 D N 1.985 122.488 120.400 0.172 0.000 2.498 336 D HA 0.468 5.108 4.640 -0.000 0.000 0.247 336 D C -0.747 175.607 176.300 0.090 0.000 1.070 336 D CA -0.345 53.711 54.000 0.094 0.000 0.842 336 D CB 1.787 42.627 40.800 0.066 0.000 1.361 336 D HN 0.356 nan 8.370 nan 0.000 0.484 337 I N 1.582 122.181 120.570 0.048 0.000 2.353 337 I HA 0.266 4.436 4.170 -0.000 0.000 0.293 337 I C 0.130 176.304 176.117 0.095 0.000 0.992 337 I CA -0.519 60.800 61.300 0.031 0.000 1.268 337 I CB 1.087 39.023 38.000 -0.106 0.000 1.387 337 I HN 0.084 nan 8.210 nan 0.000 0.478 338 E N 5.437 125.751 120.200 0.190 0.000 2.185 338 E HA 0.381 4.731 4.350 -0.000 0.000 0.261 338 E C -1.000 175.895 176.600 0.492 0.000 0.879 338 E CA -0.596 55.973 56.400 0.283 0.000 0.756 338 E CB 3.037 32.895 29.700 0.263 0.000 1.152 338 E HN 0.323 nan 8.360 nan 0.000 0.416 339 V N 3.750 123.912 119.914 0.413 0.000 2.904 339 V HA 0.219 4.339 4.120 -0.000 0.000 0.305 339 V C -0.551 175.744 176.094 0.335 0.000 1.067 339 V CA -0.528 62.017 62.300 0.409 0.000 1.044 339 V CB 0.946 32.883 31.823 0.191 0.000 1.050 339 V HN 0.772 nan 8.190 nan 0.000 0.475 340 W N 6.282 127.560 121.300 -0.036 0.000 2.345 340 W HA 0.350 5.010 4.660 -0.000 0.000 0.308 340 W C -1.629 174.708 176.519 -0.305 0.000 1.273 340 W CA -0.752 56.398 57.345 -0.324 0.000 1.243 340 W CB 0.952 30.102 29.460 -0.518 0.000 1.260 340 W HN 0.468 nan 8.180 nan 0.000 0.509 341 F N 8.948 128.301 119.950 -0.995 0.000 2.325 341 F HA 0.240 4.767 4.527 -0.000 0.000 0.369 341 F C -1.458 173.757 175.800 -0.975 0.000 1.095 341 F CA -2.243 55.337 58.000 -0.700 0.000 1.082 341 F CB 1.066 39.846 39.000 -0.367 0.000 1.289 341 F HN 0.191 nan 8.300 nan 0.000 0.462 342 P HA -0.261 nan 4.420 nan 0.000 0.211 342 P C 1.889 179.055 177.300 -0.222 0.000 1.181 342 P CA 2.476 65.469 63.100 -0.178 0.000 0.929 342 P CB 0.083 31.747 31.700 -0.059 0.000 0.789 343 S N -0.951 114.637 115.700 -0.186 0.000 2.423 343 S HA -0.296 4.173 4.470 -0.000 0.000 0.238 343 S C 1.864 176.387 174.600 -0.129 0.000 1.028 343 S CA 1.621 59.716 58.200 -0.174 0.000 1.000 343 S CB -1.201 61.874 63.200 -0.209 0.000 0.797 343 S HN 0.277 nan 8.310 nan 0.000 0.487 344 Q N 0.133 119.853 119.800 -0.135 0.000 2.396 344 Q HA 0.223 4.563 4.340 -0.000 0.000 0.209 344 Q C 0.094 175.981 176.000 -0.189 0.000 0.906 344 Q CA -0.042 55.684 55.803 -0.129 0.000 0.927 344 Q CB 0.144 28.810 28.738 -0.121 0.000 1.069 344 Q HN 0.627 nan 8.270 nan 0.000 0.523 345 N N 1.266 119.764 118.700 -0.337 0.000 2.756 345 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 345 N C -1.086 174.207 175.510 -0.361 0.000 1.062 345 N CA 1.143 54.023 53.050 -0.283 0.000 0.696 345 N CB -0.548 37.943 38.487 0.006 0.000 0.946 345 N HN 0.303 nan 8.380 nan 0.000 0.548 346 K N -0.072 119.840 120.400 -0.814 0.000 2.642 346 K HA 0.258 4.578 4.320 -0.000 0.000 0.290 346 K C -1.356 175.047 176.600 -0.329 0.000 1.006 346 K CA -0.586 55.508 56.287 -0.320 0.000 0.869 346 K CB 0.919 33.375 32.500 -0.073 0.000 1.499 346 K HN -0.010 nan 8.250 nan 0.000 0.403 347 Y N 1.028 121.380 120.300 0.087 0.000 2.320 347 Y HA 0.489 5.039 4.550 -0.000 0.000 0.324 347 Y C 0.275 176.266 175.900 0.152 0.000 1.190 347 Y CA -0.295 57.929 58.100 0.207 0.000 1.215 347 Y CB 1.256 39.892 38.460 0.294 0.000 1.221 347 Y HN 0.203 nan 8.280 nan 0.000 0.486 348 R N 1.553 122.274 120.500 0.369 0.000 2.621 348 R HA 0.158 4.498 4.340 -0.000 0.000 0.284 348 R C -1.002 175.419 176.300 0.202 0.000 0.998 348 R CA -1.202 55.025 56.100 0.213 0.000 0.895 348 R CB 1.828 32.170 30.300 0.070 0.000 1.195 348 R HN 0.815 nan 8.270 nan 0.000 0.450 349 E N 2.839 123.105 120.200 0.109 0.000 2.820 349 E HA -0.144 4.206 4.350 -0.000 0.000 0.251 349 E C 0.122 176.763 176.600 0.068 0.000 0.944 349 E CA 0.540 56.985 56.400 0.075 0.000 0.955 349 E CB 0.325 30.037 29.700 0.020 0.000 0.904 349 E HN 0.561 nan 8.360 nan 0.000 0.513 350 I N 2.520 123.134 120.570 0.073 0.000 4.557 350 I HA 0.134 4.304 4.170 -0.000 0.000 0.333 350 I C -0.648 175.477 176.117 0.014 0.000 1.332 350 I CA 0.115 61.448 61.300 0.055 0.000 1.240 350 I CB 0.599 38.653 38.000 0.091 0.000 1.312 350 I HN 0.307 nan 8.210 nan 0.000 0.457 351 S N -0.715 114.989 115.700 0.007 0.000 2.547 351 S HA 0.453 4.923 4.470 -0.000 0.000 0.270 351 S C -0.993 173.606 174.600 -0.001 0.000 1.150 351 S CA -0.435 57.757 58.200 -0.014 0.000 0.850 351 S CB 2.125 65.297 63.200 -0.048 0.000 1.118 351 S HN -0.001 nan 8.310 nan 0.000 0.461 352 S N 1.623 117.319 115.700 -0.006 0.000 2.461 352 S HA 0.415 4.885 4.470 -0.000 0.000 0.216 352 S C -1.150 173.452 174.600 0.003 0.000 1.201 352 S CA -0.429 57.775 58.200 0.006 0.000 1.171 352 S CB -0.406 62.790 63.200 -0.006 0.000 1.169 352 S HN 0.784 nan 8.310 nan 0.000 0.456 353 C N 3.791 123.110 119.300 0.032 0.000 2.255 353 C HA 0.843 5.303 4.460 -0.000 0.000 0.326 353 C C 0.729 175.758 174.990 0.065 0.000 1.258 353 C CA -0.616 58.422 59.018 0.034 0.000 1.676 353 C CB -0.412 27.347 27.740 0.032 0.000 2.314 353 C HN 0.786 nan 8.230 nan 0.000 0.509 354 S N 2.099 117.804 115.700 0.010 0.000 2.715 354 S HA 0.598 5.068 4.470 -0.000 0.000 0.307 354 S C -0.799 173.770 174.600 -0.052 0.000 1.119 354 S CA -0.660 57.527 58.200 -0.023 0.000 0.937 354 S CB 1.518 64.687 63.200 -0.051 0.000 1.150 354 S HN 0.813 nan 8.310 nan 0.000 0.521 355 N N -0.388 118.251 118.700 -0.102 0.000 2.296 355 N HA 0.352 5.092 4.740 -0.000 0.000 0.294 355 N C -0.987 174.420 175.510 -0.172 0.000 1.033 355 N CA -0.511 52.431 53.050 -0.181 0.000 0.839 355 N CB 1.488 39.751 38.487 -0.374 0.000 1.395 355 N HN 0.580 nan 8.380 nan 0.000 0.479 356 C N 2.320 121.530 119.300 -0.151 0.000 3.000 356 C HA 0.282 4.742 4.460 -0.000 0.000 0.286 356 C C 1.154 176.050 174.990 -0.157 0.000 1.343 356 C CA -0.287 58.662 59.018 -0.114 0.000 1.742 356 C CB -1.675 26.057 27.740 -0.014 0.000 2.200 356 C HN 0.842 nan 8.230 nan 0.000 0.621 357 E N 2.022 121.997 120.200 -0.375 0.000 3.425 357 E HA -0.360 3.990 4.350 -0.000 0.000 0.407 357 E C 0.341 176.603 176.600 -0.563 0.000 1.572 357 E CA 2.104 57.938 56.400 -0.944 0.000 1.556 357 E CB -0.907 28.487 29.700 -0.510 0.000 1.586 357 E HN 0.639 nan 8.360 nan 0.000 0.451 358 D N 0.244 120.542 120.400 -0.170 0.000 2.398 358 D HA 0.052 4.692 4.640 -0.000 0.000 0.210 358 D C 1.315 177.653 176.300 0.063 0.000 1.094 358 D CA 0.023 54.104 54.000 0.135 0.000 0.839 358 D CB -0.349 40.631 40.800 0.300 0.000 0.963 358 D HN 0.263 nan 8.370 nan 0.000 0.506 359 F N 1.754 121.653 119.950 -0.085 0.000 2.027 359 F HA -0.260 4.267 4.527 -0.000 0.000 0.297 359 F C 2.309 178.056 175.800 -0.087 0.000 1.129 359 F CA 2.168 60.112 58.000 -0.093 0.000 1.195 359 F CB -0.088 38.846 39.000 -0.109 0.000 0.960 359 F HN -0.092 nan 8.300 nan 0.000 0.485 360 Q N -0.184 119.724 119.800 0.179 0.000 2.020 360 Q HA -0.186 4.153 4.340 -0.000 0.000 0.202 360 Q C 2.437 178.401 176.000 -0.059 0.000 0.982 360 Q CA 1.460 57.302 55.803 0.065 0.000 0.838 360 Q CB -0.667 28.145 28.738 0.122 0.000 0.899 360 Q HN 0.551 nan 8.270 nan 0.000 0.423 361 A N 1.210 124.016 122.820 -0.024 0.000 2.032 361 A HA -0.233 4.087 4.320 -0.000 0.000 0.221 361 A C 2.015 179.399 177.584 -0.333 0.000 1.165 361 A CA 1.349 53.354 52.037 -0.055 0.000 0.645 361 A CB -0.444 18.610 19.000 0.090 0.000 0.807 361 A HN 0.184 nan 8.150 nan 0.000 0.453 362 R N -0.223 119.983 120.500 -0.490 0.000 2.093 362 R HA -0.043 4.297 4.340 -0.000 0.000 0.224 362 R C 1.018 177.010 176.300 -0.515 0.000 1.101 362 R CA 0.866 56.472 56.100 -0.823 0.000 0.979 362 R CB -0.075 29.847 30.300 -0.630 0.000 0.877 362 R HN 0.750 nan 8.270 nan 0.000 0.441 366 T N 1.684 116.343 114.554 0.176 0.000 2.786 366 T HA 0.645 4.995 4.350 -0.000 0.000 0.283 366 T C -0.184 174.739 174.700 0.372 0.000 0.992 366 T CA -0.653 61.592 62.100 0.241 0.000 0.954 366 T CB 1.116 70.109 68.868 0.207 0.000 0.934 366 T HN 0.311 nan 8.240 nan 0.000 0.440 367 R N 1.681 122.375 120.500 0.323 0.000 3.041 367 R HA 0.798 5.138 4.340 -0.000 0.000 0.254 367 R C -1.501 174.961 176.300 0.270 0.000 1.244 367 R CA -0.960 55.308 56.100 0.281 0.000 1.023 367 R CB 1.198 31.523 30.300 0.040 0.000 1.332 367 R HN 0.603 nan 8.270 nan 0.000 0.463 368 F N -1.972 117.971 119.950 -0.012 0.000 2.678 368 F HA 0.529 5.056 4.527 -0.000 0.000 0.308 368 F C -1.206 174.568 175.800 -0.043 0.000 1.118 368 F CA -1.237 56.748 58.000 -0.025 0.000 0.959 368 F CB 1.806 40.793 39.000 -0.021 0.000 1.305 368 F HN 0.504 nan 8.300 nan 0.000 0.443 369 K N 3.059 123.512 120.400 0.088 0.000 2.267 369 K HA 0.199 4.519 4.320 -0.000 0.000 0.282 369 K C -0.970 175.726 176.600 0.160 0.000 1.078 369 K CA -0.579 55.708 56.287 -0.001 0.000 0.903 369 K CB 0.349 32.861 32.500 0.020 0.000 1.111 369 K HN 0.800 nan 8.250 nan 0.000 0.475 370 D N 3.073 123.522 120.400 0.083 0.000 2.264 370 D HA -0.058 4.582 4.640 -0.000 0.000 0.249 370 D C 0.747 177.129 176.300 0.137 0.000 1.070 370 D CA -0.439 53.719 54.000 0.263 0.000 0.912 370 D CB 1.766 42.743 40.800 0.296 0.000 1.193 370 D HN 0.510 nan 8.370 nan 0.000 0.427 371 S N 1.067 116.850 115.700 0.137 0.000 2.488 371 S HA -0.214 4.256 4.470 -0.000 0.000 0.246 371 S C 0.975 175.607 174.600 0.053 0.000 0.992 371 S CA 0.803 59.046 58.200 0.072 0.000 0.963 371 S CB -0.211 63.020 63.200 0.052 0.000 0.754 371 S HN 0.394 nan 8.310 nan 0.000 0.519 372 K N 1.620 122.058 120.400 0.064 0.000 3.257 372 K HA 0.216 4.536 4.320 -0.000 0.000 0.185 372 K C 2.443 179.053 176.600 0.017 0.000 1.120 372 K CA 1.134 57.445 56.287 0.040 0.000 1.419 372 K CB -1.399 31.132 32.500 0.052 0.000 1.952 372 K HN 0.320 nan 8.250 nan 0.000 0.477 373 T N -1.173 113.384 114.554 0.006 0.000 2.918 373 T HA -0.106 4.244 4.350 -0.000 0.000 0.271 373 T C 1.570 176.252 174.700 -0.030 0.000 1.104 373 T CA 1.701 63.791 62.100 -0.017 0.000 1.114 373 T CB -0.881 67.967 68.868 -0.034 0.000 0.855 373 T HN 0.575 nan 8.240 nan 0.000 0.518 374 G N 1.226 110.010 108.800 -0.028 0.000 2.284 374 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.261 374 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.261 374 G C 0.185 175.044 174.900 -0.069 0.000 0.997 374 G CA 0.613 45.692 45.100 -0.034 0.000 0.621 374 G HN 0.761 nan 8.290 nan 0.000 0.534 375 K N 0.634 120.976 120.400 -0.097 0.000 2.138 375 K HA 0.390 4.709 4.320 -0.000 0.000 0.251 375 K C 0.258 176.723 176.600 -0.224 0.000 1.015 375 K CA -0.320 55.884 56.287 -0.138 0.000 0.917 375 K CB 0.420 32.841 32.500 -0.132 0.000 1.021 375 K HN 0.397 nan 8.250 nan 0.000 0.485 376 N N 1.674 120.221 118.700 -0.256 0.000 2.472 376 N HA 0.165 4.905 4.740 -0.000 0.000 0.277 376 N C -0.949 174.251 175.510 -0.516 0.000 1.081 376 N CA -0.593 52.239 53.050 -0.364 0.000 0.973 376 N CB 0.758 39.076 38.487 -0.280 0.000 1.105 376 N HN 0.267 nan 8.380 nan 0.000 0.470 377 R N 2.094 122.160 120.500 -0.723 0.000 2.575 377 R HA 0.347 4.687 4.340 -0.000 0.000 0.293 377 R C -1.099 174.903 176.300 -0.497 0.000 0.983 377 R CA -0.790 54.897 56.100 -0.687 0.000 0.887 377 R CB 0.904 30.796 30.300 -0.680 0.000 1.184 377 R HN 0.333 nan 8.270 nan 0.000 0.445 378 F N 1.863 121.750 119.950 -0.105 0.000 2.572 378 F HA -0.010 4.517 4.527 -0.000 0.000 0.370 378 F C 1.635 177.548 175.800 0.188 0.000 1.103 378 F CA -0.468 57.563 58.000 0.051 0.000 1.286 378 F CB 0.186 39.230 39.000 0.072 0.000 1.105 378 F HN 0.315 nan 8.300 nan 0.000 0.583 379 V N 0.939 121.146 119.914 0.489 0.000 3.641 379 V HA 0.314 4.434 4.120 -0.000 0.000 0.286 379 V C -0.204 176.136 176.094 0.410 0.000 1.027 379 V CA -0.688 61.847 62.300 0.392 0.000 1.032 379 V CB 0.609 32.602 31.823 0.283 0.000 1.238 379 V HN 0.720 nan 8.190 nan 0.000 0.439 380 H N -0.338 118.814 119.070 0.135 0.000 2.538 380 H HA 0.611 5.167 4.556 -0.000 0.000 0.353 380 H C -0.518 174.854 175.328 0.072 0.000 1.109 380 H CA -0.270 55.835 56.048 0.094 0.000 1.192 380 H CB 2.004 31.805 29.762 0.065 0.000 1.555 380 H HN 1.020 nan 8.280 nan 0.000 0.518 381 T N 1.782 116.422 114.554 0.144 0.000 2.856 381 T HA 0.653 5.003 4.350 -0.000 0.000 0.283 381 T C -0.738 173.983 174.700 0.034 0.000 1.008 381 T CA -0.808 61.351 62.100 0.098 0.000 0.997 381 T CB 1.464 70.390 68.868 0.097 0.000 0.992 381 T HN 0.173 nan 8.240 nan 0.000 0.454 382 L N 2.298 123.542 121.223 0.036 0.000 2.359 382 L HA 0.813 5.153 4.340 -0.000 0.000 0.256 382 L C -0.726 176.148 176.870 0.006 0.000 1.026 382 L CA -0.741 54.097 54.840 -0.003 0.000 0.828 382 L CB 2.392 44.439 42.059 -0.020 0.000 1.406 382 L HN 1.125 nan 8.230 nan 0.000 0.413 383 N N -0.822 117.869 118.700 -0.015 0.000 3.043 383 N HA 0.805 5.545 4.740 -0.000 0.000 0.243 383 N C -1.059 174.424 175.510 -0.044 0.000 1.347 383 N CA -0.511 52.522 53.050 -0.029 0.000 0.896 383 N CB 1.898 40.373 38.487 -0.020 0.000 1.501 383 N HN 0.856 nan 8.380 nan 0.000 0.504 384 G N -0.694 108.061 108.800 -0.074 0.000 2.616 384 G HA2 0.458 4.418 3.960 -0.000 0.000 0.294 384 G HA3 0.458 4.418 3.960 -0.000 0.000 0.294 384 G C -1.533 173.300 174.900 -0.111 0.000 1.489 384 G CA -0.897 44.159 45.100 -0.073 0.000 0.836 384 G HN 0.580 nan 8.290 nan 0.000 0.527 385 S N 0.001 115.654 115.700 -0.079 0.000 2.509 385 S HA 0.374 4.844 4.470 -0.000 0.000 0.287 385 S C 1.285 175.809 174.600 -0.126 0.000 1.248 385 S CA 0.432 58.584 58.200 -0.081 0.000 1.089 385 S CB 1.225 64.409 63.200 -0.026 0.000 0.900 385 S HN 1.240 nan 8.310 nan 0.000 0.496 386 G N 3.474 112.156 108.800 -0.196 0.000 3.474 386 G HA2 0.399 4.359 3.960 -0.000 0.000 0.269 386 G HA3 0.399 4.359 3.960 -0.000 0.000 0.269 386 G C 0.090 174.960 174.900 -0.050 0.000 1.339 386 G CA -0.334 44.617 45.100 -0.248 0.000 1.258 386 G HN 0.679 nan 8.290 nan 0.000 0.560 387 L N -1.334 119.864 121.223 -0.043 0.000 1.807 387 L HA -0.107 4.233 4.340 -0.000 0.000 0.541 387 L C 0.407 177.297 176.870 0.033 0.000 1.001 387 L CA -0.066 54.773 54.840 -0.002 0.000 1.192 387 L CB -1.484 40.581 42.059 0.010 0.000 1.929 387 L HN 0.428 nan 8.230 nan 0.000 1.031 388 A N 4.340 127.191 122.820 0.052 0.000 2.475 388 A HA 0.454 4.774 4.320 -0.000 0.000 0.293 388 A C 1.345 178.986 177.584 0.095 0.000 1.252 388 A CA 0.302 52.407 52.037 0.114 0.000 0.920 388 A CB 0.506 19.545 19.000 0.066 0.000 1.125 388 A HN 0.631 nan 8.150 nan 0.000 0.528 389 V N 4.111 124.088 119.914 0.105 0.000 2.278 389 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 389 V C 2.808 178.938 176.094 0.059 0.000 1.062 389 V CA 2.652 64.989 62.300 0.062 0.000 1.038 389 V CB -1.569 30.273 31.823 0.032 0.000 0.646 389 V HN 0.918 nan 8.190 nan 0.000 0.447 390 G N -0.068 108.787 108.800 0.092 0.000 2.491 390 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.218 390 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.218 390 G C 1.723 176.639 174.900 0.026 0.000 1.180 390 G CA 1.008 46.144 45.100 0.061 0.000 0.774 390 G HN 0.489 nan 8.290 nan 0.000 0.562 391 R N -0.360 120.151 120.500 0.018 0.000 2.189 391 R HA 0.011 4.351 4.340 -0.000 0.000 0.223 391 R C 2.707 179.070 176.300 0.105 0.000 1.092 391 R CA 1.328 57.463 56.100 0.059 0.000 0.989 391 R CB -0.348 29.981 30.300 0.048 0.000 0.876 391 R HN 0.290 nan 8.270 nan 0.000 0.457 392 T N 1.615 116.203 114.554 0.057 0.000 2.812 392 T HA -0.033 4.317 4.350 -0.000 0.000 0.264 392 T C 1.775 176.484 174.700 0.014 0.000 1.042 392 T CA 0.529 62.651 62.100 0.035 0.000 1.140 392 T CB -0.040 68.848 68.868 0.032 0.000 0.870 392 T HN 0.146 nan 8.240 nan 0.000 0.445 393 L N 0.917 122.150 121.223 0.017 0.000 1.989 393 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 393 L C 2.854 179.735 176.870 0.018 0.000 1.071 393 L CA 1.860 56.708 54.840 0.014 0.000 0.749 393 L CB -0.713 41.362 42.059 0.026 0.000 0.890 393 L HN 0.291 nan 8.230 nan 0.000 0.431 394 A N -0.341 122.478 122.820 -0.003 0.000 1.917 394 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 394 A C 2.415 180.010 177.584 0.018 0.000 1.182 394 A CA 2.035 54.027 52.037 -0.075 0.000 0.633 394 A CB -0.864 17.900 19.000 -0.393 0.000 0.819 394 A HN 0.601 nan 8.150 nan 0.000 0.448 395 A N 0.297 123.066 122.820 -0.085 0.000 1.877 395 A HA -0.061 4.258 4.320 -0.000 0.000 0.216 395 A C 2.094 179.615 177.584 -0.106 0.000 1.186 395 A CA 1.787 53.586 52.037 -0.396 0.000 0.620 395 A CB -0.743 18.024 19.000 -0.389 0.000 0.822 395 A HN 1.198 nan 8.150 nan 0.000 0.443 396 I N -2.254 118.310 120.570 -0.010 0.000 2.614 396 I HA -0.077 4.093 4.170 -0.000 0.000 0.258 396 I C 1.724 177.910 176.117 0.115 0.000 1.189 396 I CA 1.316 62.653 61.300 0.061 0.000 1.462 396 I CB -0.284 37.644 38.000 -0.119 0.000 1.092 396 I HN 0.114 nan 8.210 nan 0.000 0.442 397 L N 0.499 121.776 121.223 0.090 0.000 2.291 397 L HA 0.034 4.373 4.340 -0.000 0.000 0.214 397 L C 2.340 179.304 176.870 0.156 0.000 1.120 397 L CA 1.543 56.459 54.840 0.126 0.000 0.799 397 L CB -0.643 41.502 42.059 0.144 0.000 0.925 397 L HN 0.357 nan 8.230 nan 0.000 0.446 398 E N -1.353 118.931 120.200 0.139 0.000 2.099 398 E HA -0.012 4.338 4.350 -0.000 0.000 0.191 398 E C 1.482 178.207 176.600 0.208 0.000 0.962 398 E CA 0.287 56.760 56.400 0.121 0.000 0.826 398 E CB -0.066 29.669 29.700 0.058 0.000 0.788 398 E HN 0.450 nan 8.360 nan 0.000 0.461 399 N N 0.255 119.077 118.700 0.204 0.000 2.453 399 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 399 N C 0.463 176.058 175.510 0.142 0.000 1.041 399 N CA 0.960 54.150 53.050 0.234 0.000 0.900 399 N CB 0.143 38.741 38.487 0.186 0.000 0.961 399 N HN 0.203 nan 8.380 nan 0.000 0.443 400 Y N 0.801 121.175 120.300 0.124 0.000 2.696 400 Y HA 0.162 4.712 4.550 -0.000 0.000 0.260 400 Y C 0.757 176.730 175.900 0.122 0.000 1.165 400 Y CA -0.642 57.511 58.100 0.089 0.000 1.189 400 Y CB 0.083 38.566 38.460 0.038 0.000 1.180 400 Y HN 0.051 nan 8.280 nan 0.000 0.538 401 Q N 0.101 120.095 119.800 0.322 0.000 2.396 401 Q HA 0.435 4.775 4.340 -0.000 0.000 0.221 401 Q C -0.723 175.494 176.000 0.362 0.000 1.025 401 Q CA -0.408 55.574 55.803 0.298 0.000 0.946 401 Q CB 0.996 29.910 28.738 0.294 0.000 1.224 401 Q HN 0.305 nan 8.270 nan 0.000 0.539 402 Q N -0.314 119.639 119.800 0.255 0.000 2.421 402 Q HA 0.092 4.432 4.340 -0.000 0.000 0.280 402 Q C -0.172 175.738 176.000 -0.151 0.000 1.085 402 Q CA -0.714 55.207 55.803 0.197 0.000 0.807 402 Q CB 2.060 30.856 28.738 0.097 0.000 1.405 402 Q HN 0.739 nan 8.270 nan 0.000 0.419 403 E N 0.964 120.859 120.200 -0.509 0.000 2.113 403 E HA -0.317 4.033 4.350 -0.000 0.000 0.210 403 E C 0.978 177.335 176.600 -0.406 0.000 1.040 403 E CA 2.397 58.283 56.400 -0.855 0.000 0.847 403 E CB -0.295 29.112 29.700 -0.489 0.000 0.755 403 E HN 0.699 nan 8.360 nan 0.000 0.459 404 D N -1.031 119.243 120.400 -0.209 0.000 2.350 404 D HA -0.006 4.634 4.640 -0.000 0.000 0.216 404 D C 1.485 177.727 176.300 -0.096 0.000 0.968 404 D CA 1.118 55.044 54.000 -0.125 0.000 0.894 404 D CB -0.118 40.638 40.800 -0.073 0.000 0.909 404 D HN 0.438 nan 8.370 nan 0.000 0.520 405 G N 0.136 108.878 108.800 -0.096 0.000 2.238 405 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.217 405 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.217 405 G C 0.460 175.356 174.900 -0.007 0.000 0.996 405 G CA 0.257 45.328 45.100 -0.048 0.000 0.632 405 G HN 0.687 nan 8.290 nan 0.000 0.503 406 S N -0.266 115.428 115.700 -0.010 0.000 2.600 406 S HA 0.667 5.137 4.470 -0.000 0.000 0.265 406 S C 0.326 174.944 174.600 0.028 0.000 1.325 406 S CA 0.117 58.314 58.200 -0.005 0.000 1.002 406 S CB 2.123 65.308 63.200 -0.026 0.000 0.921 406 S HN 1.922 nan 8.310 nan 0.000 0.554 407 V N -0.627 119.298 119.914 0.019 0.000 2.656 407 V HA 0.695 4.815 4.120 -0.000 0.000 0.307 407 V C -0.517 175.595 176.094 0.030 0.000 1.051 407 V CA -0.973 61.366 62.300 0.065 0.000 0.893 407 V CB 1.577 33.445 31.823 0.074 0.000 0.999 407 V HN 0.774 nan 8.190 nan 0.000 0.426 408 V N 6.243 126.223 119.914 0.109 0.000 2.455 408 V HA 0.228 4.347 4.120 -0.000 0.000 0.273 408 V C 0.507 176.589 176.094 -0.021 0.000 1.045 408 V CA -0.099 62.253 62.300 0.087 0.000 0.976 408 V CB 1.474 33.420 31.823 0.204 0.000 0.993 408 V HN 0.829 nan 8.190 nan 0.000 0.475 409 V N 9.365 129.212 119.914 -0.113 0.000 2.540 409 V HA 0.096 4.216 4.120 -0.000 0.000 0.297 409 V C -1.966 173.973 176.094 -0.258 0.000 1.024 409 V CA -1.065 61.113 62.300 -0.203 0.000 1.105 409 V CB 0.595 32.321 31.823 -0.161 0.000 0.938 409 V HN 0.769 nan 8.190 nan 0.000 0.482 410 P HA 0.044 nan 4.420 nan 0.000 0.268 410 P C 0.928 178.112 177.300 -0.194 0.000 1.204 410 P CA -0.134 62.702 63.100 -0.441 0.000 0.768 410 P CB 0.553 31.887 31.700 -0.610 0.000 0.842 411 E N 3.446 123.602 120.200 -0.072 0.000 2.136 411 E HA -0.254 4.096 4.350 -0.000 0.000 0.208 411 E C 1.365 177.913 176.600 -0.087 0.000 1.035 411 E CA 2.483 58.853 56.400 -0.051 0.000 0.838 411 E CB -1.798 27.901 29.700 -0.000 0.000 0.748 411 E HN 0.335 nan 8.360 nan 0.000 0.459 412 V N -1.523 118.294 119.914 -0.160 0.000 3.380 412 V HA 0.100 4.220 4.120 -0.000 0.000 0.268 412 V C 2.187 178.167 176.094 -0.190 0.000 1.168 412 V CA 0.896 63.073 62.300 -0.204 0.000 1.156 412 V CB -0.696 30.896 31.823 -0.384 0.000 0.785 412 V HN 0.174 nan 8.190 nan 0.000 0.487 413 L N -0.535 120.577 121.223 -0.186 0.000 2.664 413 L HA 0.310 4.650 4.340 -0.000 0.000 0.233 413 L C 2.634 179.544 176.870 0.067 0.000 1.113 413 L CA -0.009 54.801 54.840 -0.051 0.000 0.896 413 L CB -0.304 41.640 42.059 -0.192 0.000 1.163 413 L HN 0.173 nan 8.230 nan 0.000 0.497 414 R N 0.086 120.583 120.500 -0.004 0.000 2.148 414 R HA -0.082 4.258 4.340 -0.000 0.000 0.227 414 R C 0.720 177.028 176.300 0.013 0.000 1.103 414 R CA 1.025 57.123 56.100 -0.004 0.000 0.983 414 R CB -0.361 29.917 30.300 -0.037 0.000 0.874 414 R HN 0.371 nan 8.270 nan 0.000 0.451 415 D N -0.181 120.211 120.400 -0.014 0.000 2.347 415 D HA -0.036 4.604 4.640 -0.000 0.000 0.213 415 D C 1.141 177.349 176.300 -0.153 0.000 0.985 415 D CA 0.834 54.772 54.000 -0.102 0.000 0.879 415 D CB 0.169 40.859 40.800 -0.184 0.000 0.919 415 D HN 0.249 nan 8.370 nan 0.000 0.526 416 Y N 0.109 120.413 120.300 0.005 0.000 2.266 416 Y HA -0.058 4.491 4.550 -0.000 0.000 0.294 416 Y C 2.364 178.290 175.900 0.044 0.000 1.127 416 Y CA 0.290 58.405 58.100 0.025 0.000 1.140 416 Y CB -0.432 38.043 38.460 0.025 0.000 1.071 416 Y HN -0.244 nan 8.280 nan 0.000 0.525 417 V N -1.008 119.043 119.914 0.228 0.000 2.221 417 V HA 0.019 4.139 4.120 -0.000 0.000 0.240 417 V C 1.785 178.033 176.094 0.256 0.000 1.041 417 V CA 2.130 64.562 62.300 0.220 0.000 0.991 417 V CB -1.015 30.923 31.823 0.192 0.000 0.634 417 V HN 0.644 nan 8.190 nan 0.000 0.450 418 G N -0.829 108.092 108.800 0.201 0.000 2.911 418 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.103 418 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.103 418 G C 0.471 175.425 174.900 0.090 0.000 2.154 418 G CA 0.259 45.484 45.100 0.208 0.000 1.076 418 G HN 0.680 nan 8.290 nan 0.000 0.296 419 T N 0.516 115.059 114.554 -0.019 0.000 2.698 419 T HA 0.450 4.800 4.350 -0.000 0.000 0.295 419 T C 0.972 175.567 174.700 -0.175 0.000 1.007 419 T CA 1.168 63.157 62.100 -0.185 0.000 0.980 419 T CB 1.282 69.863 68.868 -0.478 0.000 1.036 419 T HN 0.515 nan 8.240 nan 0.000 0.526 420 D N -1.337 118.965 120.400 -0.165 0.000 2.392 420 D HA 0.206 4.846 4.640 -0.000 0.000 0.206 420 D C 0.366 176.580 176.300 -0.142 0.000 1.046 420 D CA -0.087 53.840 54.000 -0.121 0.000 0.865 420 D CB -0.007 40.749 40.800 -0.075 0.000 0.969 420 D HN 0.456 nan 8.370 nan 0.000 0.509 421 V N 1.284 121.073 119.914 -0.208 0.000 2.852 421 V HA 0.350 4.470 4.120 -0.000 0.000 0.300 421 V C -1.633 174.261 176.094 -0.334 0.000 1.205 421 V CA -1.138 61.043 62.300 -0.199 0.000 0.940 421 V CB 1.920 33.678 31.823 -0.108 0.000 1.047 421 V HN 0.203 nan 8.190 nan 0.000 0.429 422 I N 4.102 124.461 120.570 -0.352 0.000 2.307 422 I HA 0.628 4.797 4.170 -0.000 0.000 0.287 422 I C 0.204 176.188 176.117 -0.222 0.000 1.054 422 I CA -0.559 60.448 61.300 -0.488 0.000 1.218 422 I CB 0.767 38.433 38.000 -0.556 0.000 1.398 422 I HN 0.505 nan 8.210 nan 0.000 0.475 423 R N 5.134 125.532 120.500 -0.170 0.000 2.543 423 R HA 0.424 4.764 4.340 -0.000 0.000 0.268 423 R C -2.275 174.022 176.300 -0.004 0.000 1.067 423 R CA -1.620 54.442 56.100 -0.064 0.000 1.142 423 R CB 0.177 30.447 30.300 -0.051 0.000 1.110 423 R HN 0.381 nan 8.270 nan 0.000 0.549 424 P HA -0.173 nan 4.420 nan 0.000 0.227 424 P C -0.589 176.753 177.300 0.071 0.000 1.036 424 P CA 0.811 63.937 63.100 0.044 0.000 1.080 424 P CB -0.185 31.530 31.700 0.026 0.000 1.046 425 E N 0.000 120.271 120.200 0.119 0.000 2.725 425 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 425 E CA 0.000 56.495 56.400 0.158 0.000 0.976 425 E CB 0.000 29.789 29.700 0.149 0.000 0.812 425 E HN 0.000 nan 8.360 nan 0.000 0.440