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 1dnu_1_D DATA FIRST_RESID 113 DATA SEQUENCE VNcETScVQQ PPcFPLKIPP NDPRIKNQAD cIPFFRSXPA CPGSNITIRN DATA SEQUENCE QINALTSFVD ASMVYGSEEP LARNLRNMSN QLGLLAVNQR FQDNGRALLP DATA SEQUENCE FDNLHDDPcL LTNRSARIPc FLAGDTRSSE MPELTSMHTL LLREHNRLAT DATA SEQUENCE ELKSLNPRWD GERLYQEARK IVGAMVQIIT YRDYLPLVLG PTAMRKYLPT DATA SEQUENCE YRSYNDSVDP RIANVFTNAF RYGHTLIQPF MFRLDNRYQP MEPNPRVPLS DATA SEQUENCE RVFFASWRVV LEGGIDPILR GLMATPAKLN RQNQIAVDEI RERLFEQVMR DATA SEQUENCE IGLDLPALNM QRSRDHGLPG YNAWRRFcGL PQPETVGQLG TVLRNLKLAR DATA SEQUENCE KLMEQYGTPN NIDIWMGGVS EPLKRKGRVG PLLAcIIGTQ FRKLRDGDRF DATA SEQUENCE WWENEGVFSM QQRQALAQIS LPRIIcDNTG ITTVSKNNIF MSNSYPRDFV DATA SEQUENCE NcSTLPALNL ASWREA 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 113 V HA 0.000 nan 4.120 nan 0.000 0.244 113 V C 0.000 176.093 176.094 -0.001 0.000 1.182 113 V CA 0.000 62.303 62.300 0.004 0.000 1.235 113 V CB 0.000 31.820 31.823 -0.004 0.000 1.184 114 N N 2.253 120.947 118.700 -0.010 0.000 2.437 114 N HA 0.193 4.934 4.740 0.002 0.000 0.243 114 N C 0.947 176.394 175.510 -0.106 0.000 1.041 114 N CA -0.188 52.856 53.050 -0.010 0.000 0.940 114 N CB 1.402 39.900 38.487 0.018 0.000 1.133 114 N HN 0.822 nan 8.380 nan 0.000 0.506 115 c N 1.992 120.413 118.600 -0.299 0.000 2.419 115 c HA 0.031 4.602 4.570 0.002 0.000 0.283 115 c C 2.107 175.963 174.090 -0.390 0.000 1.373 115 c CA 0.058 56.053 56.329 -0.556 0.000 1.781 115 c CB -0.432 41.241 42.510 -1.395 0.000 1.886 115 c HN 0.684 nan 8.230 nan 0.000 0.520 116 E N 0.664 120.760 120.200 -0.173 0.000 2.230 116 E HA -0.064 4.288 4.350 0.002 0.000 0.192 116 E C 2.183 178.782 176.600 -0.003 0.000 0.987 116 E CA 1.655 58.057 56.400 0.004 0.000 0.841 116 E CB -0.142 29.648 29.700 0.151 0.000 0.783 116 E HN 0.835 nan 8.360 nan 0.000 0.481 117 T N -3.522 111.023 114.554 -0.016 0.000 3.003 117 T HA 0.224 4.575 4.350 0.002 0.000 0.261 117 T C 0.758 175.446 174.700 -0.019 0.000 1.003 117 T CA -0.298 61.798 62.100 -0.007 0.000 0.917 117 T CB 0.571 69.442 68.868 0.004 0.000 1.084 117 T HN -0.084 nan 8.240 nan 0.000 0.522 118 S N -1.088 114.590 115.700 -0.037 0.000 2.566 118 S HA 0.540 5.011 4.470 0.002 0.000 0.298 118 S C 0.109 174.684 174.600 -0.042 0.000 1.083 118 S CA -0.701 57.479 58.200 -0.033 0.000 0.978 118 S CB 1.482 64.665 63.200 -0.030 0.000 1.073 118 S HN 0.344 nan 8.310 nan 0.000 0.491 119 c N 2.870 121.452 118.600 -0.030 0.000 3.000 119 c HA 0.407 4.979 4.570 0.002 0.000 0.286 119 c C 0.174 174.252 174.090 -0.019 0.000 1.343 119 c CA -0.424 55.887 56.329 -0.030 0.000 1.742 119 c CB -1.082 41.412 42.510 -0.027 0.000 2.200 119 c HN 0.638 nan 8.230 nan 0.000 0.621 120 V N 2.096 122.001 119.914 -0.015 0.000 2.572 120 V HA 0.065 4.186 4.120 0.002 0.000 0.291 120 V C 0.418 176.517 176.094 0.009 0.000 1.039 120 V CA 0.420 62.718 62.300 -0.002 0.000 1.055 120 V CB 0.879 32.700 31.823 -0.002 0.000 0.969 120 V HN 0.491 nan 8.190 nan 0.000 0.482 121 Q N 5.178 124.995 119.800 0.028 0.000 2.441 121 Q HA 0.300 4.641 4.340 0.002 0.000 0.234 121 Q C -0.823 175.207 176.000 0.050 0.000 1.078 121 Q CA -0.253 55.587 55.803 0.061 0.000 0.907 121 Q CB 0.299 29.092 28.738 0.091 0.000 1.269 121 Q HN 0.736 nan 8.270 nan 0.000 0.502 122 Q N 3.251 123.077 119.800 0.044 0.000 2.377 122 Q HA 0.409 4.751 4.340 0.002 0.000 0.279 122 Q C -2.680 173.343 176.000 0.039 0.000 1.049 122 Q CA -2.222 53.600 55.803 0.032 0.000 0.825 122 Q CB 1.832 30.583 28.738 0.021 0.000 1.401 122 Q HN 0.498 nan 8.270 nan 0.000 0.404 123 P HA -0.041 nan 4.420 nan 0.000 0.263 123 P C -1.822 175.512 177.300 0.058 0.000 1.175 123 P CA -0.277 62.852 63.100 0.047 0.000 0.761 123 P CB 0.168 31.888 31.700 0.033 0.000 0.794 124 P HA 0.137 nan 4.420 nan 0.000 0.263 124 P C -0.778 176.614 177.300 0.154 0.000 1.448 124 P CA 0.018 63.194 63.100 0.126 0.000 0.983 124 P CB 0.050 31.852 31.700 0.169 0.000 1.481 125 c N 0.423 119.078 118.600 0.091 0.000 2.466 125 c HA 0.479 5.050 4.570 0.002 0.000 0.379 125 c C 0.324 174.570 174.090 0.261 0.000 1.251 125 c CA -0.341 56.042 56.329 0.089 0.000 2.263 125 c CB -0.666 41.819 42.510 -0.041 0.000 2.511 125 c HN 0.304 nan 8.230 nan 0.000 0.573 126 F N 4.511 124.546 119.950 0.141 0.000 2.627 126 F HA 0.354 4.882 4.527 0.003 0.000 0.344 126 F C -2.356 173.417 175.800 -0.046 0.000 1.505 126 F CA -2.982 55.039 58.000 0.034 0.000 1.111 126 F CB 0.315 39.319 39.000 0.006 0.000 1.585 126 F HN 0.408 nan 8.300 nan 0.000 0.582 127 P HA 0.010 nan 4.420 nan 0.000 0.266 127 P C -0.466 176.656 177.300 -0.296 0.000 1.195 127 P CA 0.012 63.047 63.100 -0.107 0.000 0.768 127 P CB 1.227 32.893 31.700 -0.058 0.000 0.838 128 L N 3.751 124.809 121.223 -0.275 0.000 2.313 128 L HA 0.195 4.536 4.340 0.002 0.000 0.282 128 L C 1.325 178.084 176.870 -0.186 0.000 1.092 128 L CA 0.380 55.035 54.840 -0.308 0.000 0.831 128 L CB -0.258 41.656 42.059 -0.242 0.000 1.159 128 L HN 0.245 nan 8.230 nan 0.000 0.442 129 K N 3.407 123.702 120.400 -0.176 0.000 2.219 129 K HA 0.401 4.722 4.320 0.002 0.000 0.258 129 K C -0.513 176.031 176.600 -0.092 0.000 1.008 129 K CA -0.605 55.616 56.287 -0.109 0.000 0.928 129 K CB 0.868 33.315 32.500 -0.088 0.000 0.983 129 K HN 0.327 nan 8.250 nan 0.000 0.484 130 I N 3.961 124.490 120.570 -0.067 0.000 2.336 130 I HA 0.235 4.406 4.170 0.002 0.000 0.292 130 I C -1.717 174.371 176.117 -0.049 0.000 0.991 130 I CA -2.747 58.519 61.300 -0.057 0.000 1.227 130 I CB 0.646 38.619 38.000 -0.045 0.000 1.366 130 I HN 0.488 nan 8.210 nan 0.000 0.466 131 P HA 0.383 nan 4.420 nan 0.000 0.276 131 P C -2.806 174.473 177.300 -0.034 0.000 1.252 131 P CA -1.647 61.427 63.100 -0.044 0.000 0.802 131 P CB -0.111 31.560 31.700 -0.049 0.000 1.035 132 P HA 0.114 nan 4.420 nan 0.000 0.269 132 P C -0.359 176.927 177.300 -0.023 0.000 1.209 132 P CA 0.251 63.337 63.100 -0.024 0.000 0.776 132 P CB -0.305 31.383 31.700 -0.021 0.000 0.876 133 N N -0.936 117.752 118.700 -0.019 0.000 2.735 133 N HA -0.201 4.541 4.740 0.002 0.000 0.248 133 N C -0.209 175.290 175.510 -0.019 0.000 1.083 133 N CA 0.429 53.469 53.050 -0.017 0.000 0.703 133 N CB -1.146 37.332 38.487 -0.015 0.000 1.005 133 N HN 0.595 nan 8.380 nan 0.000 0.550 134 D N 0.651 121.039 120.400 -0.022 0.000 2.455 134 D HA 0.000 4.642 4.640 0.002 0.000 0.241 134 D C -0.822 175.467 176.300 -0.018 0.000 1.138 134 D CA -1.300 52.686 54.000 -0.023 0.000 0.877 134 D CB 0.955 41.739 40.800 -0.027 0.000 1.187 134 D HN 0.139 nan 8.370 nan 0.000 0.451 135 P HA -0.095 nan 4.420 nan 0.000 0.225 135 P C 1.016 178.308 177.300 -0.012 0.000 1.148 135 P CA 0.918 64.010 63.100 -0.013 0.000 0.779 135 P CB 0.561 32.254 31.700 -0.012 0.000 0.780 136 R N -0.445 120.045 120.500 -0.015 0.000 2.306 136 R HA 0.241 4.583 4.340 0.002 0.000 0.183 136 R C 0.824 177.116 176.300 -0.014 0.000 0.937 136 R CA 0.054 56.146 56.100 -0.014 0.000 1.118 136 R CB 0.169 30.459 30.300 -0.016 0.000 1.224 136 R HN -0.026 nan 8.270 nan 0.000 0.597 137 I N 3.508 124.067 120.570 -0.018 0.000 2.269 137 I HA 0.150 4.322 4.170 0.002 0.000 0.293 137 I C 0.311 176.417 176.117 -0.018 0.000 1.106 137 I CA -0.441 60.848 61.300 -0.018 0.000 1.248 137 I CB 1.548 39.534 38.000 -0.024 0.000 1.444 137 I HN 0.076 nan 8.210 nan 0.000 0.497 138 K N 2.530 122.922 120.400 -0.014 0.000 2.366 138 K HA -0.013 4.309 4.320 0.002 0.000 0.198 138 K C 0.635 177.227 176.600 -0.014 0.000 1.044 138 K CA 0.449 56.728 56.287 -0.013 0.000 0.973 138 K CB -0.377 32.117 32.500 -0.010 0.000 0.767 138 K HN 0.408 nan 8.250 nan 0.000 0.475 139 N N 1.926 120.617 118.700 -0.014 0.000 2.437 139 N HA 0.026 4.767 4.740 0.002 0.000 0.243 139 N C 0.234 175.733 175.510 -0.018 0.000 1.041 139 N CA 0.146 53.187 53.050 -0.015 0.000 0.940 139 N CB 0.884 39.364 38.487 -0.012 0.000 1.133 139 N HN -0.030 nan 8.380 nan 0.000 0.506 140 Q N 2.108 121.896 119.800 -0.019 0.000 2.488 140 Q HA 0.052 4.394 4.340 0.002 0.000 0.211 140 Q C 1.114 177.100 176.000 -0.023 0.000 0.967 140 Q CA 0.877 56.666 55.803 -0.023 0.000 0.926 140 Q CB 0.223 28.948 28.738 -0.022 0.000 0.992 140 Q HN 0.741 nan 8.270 nan 0.000 0.506 141 A N 0.220 123.029 122.820 -0.019 0.000 2.178 141 A HA -0.042 4.280 4.320 0.002 0.000 0.211 141 A C 0.760 178.332 177.584 -0.020 0.000 1.157 141 A CA 0.111 52.137 52.037 -0.018 0.000 0.780 141 A CB 0.201 19.193 19.000 -0.014 0.000 0.828 141 A HN 0.182 nan 8.150 nan 0.000 0.476 142 D N -0.618 119.769 120.400 -0.022 0.000 2.398 142 D HA 0.446 5.087 4.640 0.002 0.000 0.264 142 D C 0.080 176.361 176.300 -0.032 0.000 1.263 142 D CA 0.728 54.714 54.000 -0.023 0.000 1.037 142 D CB 1.284 42.072 40.800 -0.020 0.000 1.101 142 D HN 0.575 nan 8.370 nan 0.000 0.551 143 c N -1.397 117.183 118.600 -0.034 0.000 3.253 143 c HA 0.566 5.137 4.570 0.002 0.000 0.342 143 c C -0.840 173.226 174.090 -0.040 0.000 1.306 143 c CA -1.076 55.225 56.329 -0.047 0.000 1.207 143 c CB -0.240 42.238 42.510 -0.053 0.000 1.479 143 c HN 0.479 nan 8.230 nan 0.000 0.469 144 I N 2.442 122.983 120.570 -0.049 0.000 2.304 144 I HA 0.368 4.539 4.170 0.002 0.000 0.291 144 I C -2.125 173.993 176.117 0.002 0.000 1.018 144 I CA -1.732 59.551 61.300 -0.027 0.000 1.260 144 I CB 1.507 39.482 38.000 -0.041 0.000 1.390 144 I HN 0.464 nan 8.210 nan 0.000 0.475 145 P HA -0.015 nan 4.420 nan 0.000 0.263 145 P C -1.028 176.354 177.300 0.136 0.000 1.175 145 P CA 0.488 63.604 63.100 0.026 0.000 0.761 145 P CB 0.202 31.924 31.700 0.037 0.000 0.794 146 F N 3.753 123.638 119.950 -0.109 0.000 2.651 146 F HA 0.441 4.969 4.527 0.002 0.000 0.329 146 F C -1.685 174.103 175.800 -0.020 0.000 1.186 146 F CA -0.816 57.185 58.000 0.002 0.000 1.046 146 F CB 0.881 39.866 39.000 -0.026 0.000 1.296 146 F HN 0.057 nan 8.300 nan 0.000 0.497 147 F N 5.446 125.310 119.950 -0.144 0.000 2.404 147 F HA 0.543 5.072 4.527 0.002 0.000 0.354 147 F C 0.634 176.373 175.800 -0.101 0.000 1.122 147 F CA -0.703 57.279 58.000 -0.030 0.000 1.080 147 F CB 1.135 40.091 39.000 -0.073 0.000 1.131 147 F HN 0.275 nan 8.300 nan 0.000 0.471 148 R N 1.833 122.557 120.500 0.374 0.000 2.640 148 R HA 0.149 4.491 4.340 0.002 0.000 0.270 148 R C 0.473 176.892 176.300 0.198 0.000 1.024 148 R CA -0.146 56.177 56.100 0.372 0.000 1.085 148 R CB 0.391 30.870 30.300 0.299 0.000 0.963 148 R HN 0.645 nan 8.270 nan 0.000 0.426 152 A N 0.549 123.358 122.820 -0.019 0.000 1.969 152 A HA 0.057 4.379 4.320 0.002 0.000 0.218 152 A C 0.945 178.526 177.584 -0.004 0.000 1.169 152 A CA 1.606 53.637 52.037 -0.011 0.000 0.635 152 A CB -0.365 18.628 19.000 -0.012 0.000 0.810 152 A HN 0.705 nan 8.150 nan 0.000 0.445 153 C N 1.404 120.702 119.300 -0.004 0.000 2.647 153 C HA 0.565 5.026 4.460 0.002 0.000 0.273 153 C C -2.819 172.172 174.990 0.001 0.000 1.088 153 C CA -2.565 56.453 59.018 -0.000 0.000 1.529 153 C CB -0.611 27.129 27.740 0.000 0.000 1.810 153 C HN 0.297 nan 8.230 nan 0.000 0.422 154 P HA 0.245 nan 4.420 nan 0.000 0.264 154 P C 0.887 178.190 177.300 0.005 0.000 1.183 154 P CA 1.602 64.706 63.100 0.006 0.000 0.763 154 P CB 0.419 32.124 31.700 0.008 0.000 0.807 155 G N 1.634 110.438 108.800 0.006 0.000 2.258 155 G HA2 -0.258 3.704 3.960 0.002 0.000 0.274 155 G HA3 -0.258 3.704 3.960 0.002 0.000 0.274 155 G C 0.366 175.267 174.900 0.003 0.000 1.021 155 G CA 0.368 45.471 45.100 0.005 0.000 0.798 155 G HN 0.759 nan 8.290 nan 0.000 0.507 156 S N -0.639 115.062 115.700 0.002 0.000 2.554 156 S HA 0.568 5.039 4.470 0.002 0.000 0.278 156 S C 1.008 175.608 174.600 -0.000 0.000 1.242 156 S CA -0.529 57.672 58.200 0.001 0.000 1.051 156 S CB 0.666 63.867 63.200 0.001 0.000 0.986 156 S HN 0.269 nan 8.310 nan 0.000 0.502 157 N N 3.873 122.573 118.700 0.000 0.000 2.234 157 N HA 0.300 5.041 4.740 0.002 0.000 0.227 157 N C 0.596 176.106 175.510 -0.000 0.000 1.151 157 N CA 0.138 53.188 53.050 -0.001 0.000 0.865 157 N CB 0.330 38.817 38.487 -0.000 0.000 1.066 157 N HN 0.596 nan 8.380 nan 0.000 0.515 158 I N -0.171 120.399 120.570 0.001 0.000 3.366 158 I HA -0.021 4.151 4.170 0.002 0.000 0.267 158 I C 0.829 176.947 176.117 0.001 0.000 1.149 158 I CA 0.447 61.748 61.300 0.001 0.000 1.436 158 I CB -0.091 37.911 38.000 0.002 0.000 1.379 158 I HN -0.027 nan 8.210 nan 0.000 0.460 159 T N 1.198 115.752 114.554 0.001 0.000 2.918 159 T HA 0.398 4.750 4.350 0.002 0.000 0.302 159 T C -0.134 174.566 174.700 -0.000 0.000 1.045 159 T CA -0.322 61.778 62.100 0.001 0.000 1.114 159 T CB 0.942 69.810 68.868 0.001 0.000 0.965 159 T HN 0.027 nan 8.240 nan 0.000 0.540 160 I N 2.693 123.263 120.570 0.001 0.000 2.379 160 I HA 0.210 4.381 4.170 0.002 0.000 0.290 160 I C 1.283 177.399 176.117 -0.001 0.000 1.063 160 I CA -0.624 60.677 61.300 0.001 0.000 1.351 160 I CB 0.549 38.551 38.000 0.004 0.000 1.410 160 I HN 0.670 nan 8.210 nan 0.000 0.505 161 R N 5.231 125.728 120.500 -0.004 0.000 2.523 161 R HA -0.066 4.275 4.340 0.002 0.000 0.281 161 R C -0.476 175.815 176.300 -0.016 0.000 0.969 161 R CA 0.593 56.687 56.100 -0.010 0.000 1.093 161 R CB 0.217 30.510 30.300 -0.011 0.000 0.917 161 R HN 0.633 nan 8.270 nan 0.000 0.408 162 N N 1.910 120.592 118.700 -0.029 0.000 2.405 162 N HA 0.242 4.984 4.740 0.002 0.000 0.285 162 N C -1.597 173.860 175.510 -0.087 0.000 1.262 162 N CA -0.630 52.392 53.050 -0.048 0.000 0.773 162 N CB 1.809 40.283 38.487 -0.022 0.000 1.490 162 N HN 0.475 nan 8.380 nan 0.000 0.486 163 Q N 0.133 119.847 119.800 -0.144 0.000 2.252 163 Q HA 0.636 4.977 4.340 0.002 0.000 0.256 163 Q C -0.506 175.447 176.000 -0.077 0.000 1.020 163 Q CA -0.419 55.279 55.803 -0.175 0.000 0.913 163 Q CB 1.585 30.056 28.738 -0.446 0.000 1.286 163 Q HN 0.542 nan 8.270 nan 0.000 0.480 164 I N 0.915 121.457 120.570 -0.046 0.000 2.493 164 I HA 0.350 4.522 4.170 0.002 0.000 0.298 164 I C -0.583 175.543 176.117 0.016 0.000 0.998 164 I CA -0.965 60.330 61.300 -0.009 0.000 1.137 164 I CB 1.658 39.655 38.000 -0.004 0.000 1.310 164 I HN 0.422 nan 8.210 nan 0.000 0.445 165 N N 4.036 122.748 118.700 0.020 0.000 2.437 165 N HA 0.383 5.124 4.740 0.002 0.000 0.259 165 N C 0.264 175.792 175.510 0.030 0.000 0.983 165 N CA -0.286 52.783 53.050 0.032 0.000 0.937 165 N CB 1.872 40.371 38.487 0.021 0.000 1.122 165 N HN 0.732 nan 8.380 nan 0.000 0.499 166 A N 4.188 127.031 122.820 0.038 0.000 2.238 166 A HA 0.229 4.550 4.320 0.002 0.000 0.208 166 A C 0.531 178.143 177.584 0.047 0.000 1.177 166 A CA 0.401 52.460 52.037 0.036 0.000 0.804 166 A CB -0.156 18.864 19.000 0.032 0.000 0.823 166 A HN 0.614 nan 8.150 nan 0.000 0.482 167 L N -0.742 120.512 121.223 0.052 0.000 2.304 167 L HA 0.414 4.756 4.340 0.002 0.000 0.268 167 L C 0.539 177.443 176.870 0.056 0.000 1.010 167 L CA -0.884 53.995 54.840 0.065 0.000 0.813 167 L CB 1.656 43.761 42.059 0.077 0.000 1.315 167 L HN 0.178 nan 8.230 nan 0.000 0.445 168 T N -2.684 111.921 114.554 0.086 0.000 2.851 168 T HA 0.076 4.427 4.350 0.002 0.000 0.298 168 T C 1.092 175.799 174.700 0.011 0.000 0.977 168 T CA -0.167 61.991 62.100 0.097 0.000 1.126 168 T CB 1.147 70.155 68.868 0.233 0.000 0.916 168 T HN 0.755 nan 8.240 nan 0.000 0.529 169 S N 2.664 118.256 115.700 -0.179 0.000 2.447 169 S HA 0.032 4.503 4.470 0.002 0.000 0.233 169 S C 0.453 174.902 174.600 -0.252 0.000 1.006 169 S CA -0.263 57.771 58.200 -0.277 0.000 0.957 169 S CB -0.853 62.095 63.200 -0.420 0.000 0.773 169 S HN 0.651 nan 8.310 nan 0.000 0.507 170 F N 1.965 121.957 119.950 0.071 0.000 2.545 170 F HA 0.282 4.809 4.527 0.001 0.000 0.348 170 F C 0.673 176.566 175.800 0.154 0.000 1.163 170 F CA -0.956 57.118 58.000 0.123 0.000 1.331 170 F CB 0.324 39.407 39.000 0.139 0.000 1.138 170 F HN -0.177 nan 8.300 nan 0.000 0.602 171 V N 2.693 122.861 119.914 0.423 0.000 2.229 171 V HA 0.081 4.202 4.120 0.002 0.000 0.245 171 V C -0.098 176.180 176.094 0.308 0.000 1.243 171 V CA -0.024 62.499 62.300 0.371 0.000 1.176 171 V CB -0.786 31.343 31.823 0.509 0.000 1.323 171 V HN 0.789 nan 8.190 nan 0.000 0.499 172 D N 2.779 123.331 120.400 0.254 0.000 2.582 172 D HA 0.278 4.919 4.640 0.002 0.000 0.246 172 D C 0.887 177.304 176.300 0.195 0.000 1.334 172 D CA 0.080 54.192 54.000 0.186 0.000 0.805 172 D CB 0.400 41.295 40.800 0.158 0.000 1.087 172 D HN 0.580 nan 8.370 nan 0.000 0.499 173 A N 0.852 123.792 122.820 0.200 0.000 2.822 173 A HA -0.251 4.070 4.320 0.002 0.000 0.287 173 A C 1.753 179.483 177.584 0.243 0.000 1.479 173 A CA 1.163 53.321 52.037 0.202 0.000 0.779 173 A CB -2.611 16.546 19.000 0.261 0.000 1.022 173 A HN 0.794 nan 8.150 nan 0.000 0.532 174 S N -0.491 115.336 115.700 0.212 0.000 2.474 174 S HA -0.157 4.314 4.470 0.002 0.000 0.235 174 S C 1.804 176.492 174.600 0.146 0.000 0.997 174 S CA 1.372 59.694 58.200 0.202 0.000 0.949 174 S CB -0.499 62.805 63.200 0.174 0.000 0.766 174 S HN 1.521 nan 8.310 nan 0.000 0.517 175 M N 0.850 120.520 119.600 0.117 0.000 2.476 175 M HA 0.160 4.641 4.480 0.002 0.000 0.262 175 M C 1.503 177.887 176.300 0.139 0.000 1.079 175 M CA 0.937 56.328 55.300 0.152 0.000 1.104 175 M CB -1.365 31.306 32.600 0.117 0.000 1.409 175 M HN 0.222 nan 8.290 nan 0.000 0.467 176 V N -0.233 119.651 119.914 -0.050 0.000 2.581 176 V HA -0.104 4.017 4.120 0.002 0.000 0.240 176 V C 1.752 177.593 176.094 -0.421 0.000 1.054 176 V CA 1.118 63.243 62.300 -0.293 0.000 1.076 176 V CB -0.778 30.676 31.823 -0.615 0.000 0.748 176 V HN 0.306 nan 8.190 nan 0.000 0.474 177 Y N 0.851 121.184 120.300 0.056 0.000 2.510 177 Y HA 0.541 5.093 4.550 0.003 0.000 0.273 177 Y C 1.371 177.317 175.900 0.077 0.000 1.119 177 Y CA 0.368 58.508 58.100 0.066 0.000 1.286 177 Y CB -0.031 38.465 38.460 0.061 0.000 1.061 177 Y HN 0.334 nan 8.280 nan 0.000 0.542 178 G N -0.316 108.585 108.800 0.169 0.000 2.663 178 G HA2 -0.140 3.822 3.960 0.002 0.000 0.686 178 G HA3 -0.140 3.822 3.960 0.002 0.000 0.686 178 G C 0.191 175.173 174.900 0.137 0.000 1.246 178 G CA -0.219 44.958 45.100 0.129 0.000 0.795 178 G HN 0.030 nan 8.290 nan 0.000 0.627 179 S N 0.525 116.287 115.700 0.103 0.000 2.629 179 S HA 0.336 4.808 4.470 0.002 0.000 0.236 179 S C 0.392 175.037 174.600 0.075 0.000 1.010 179 S CA 0.462 58.720 58.200 0.097 0.000 0.981 179 S CB 0.383 63.639 63.200 0.093 0.000 0.919 179 S HN 0.605 nan 8.310 nan 0.000 0.514 180 E N 0.393 120.632 120.200 0.065 0.000 2.340 180 E HA 0.287 4.639 4.350 0.002 0.000 0.273 180 E C -0.251 176.374 176.600 0.042 0.000 0.891 180 E CA -0.453 55.975 56.400 0.047 0.000 0.757 180 E CB 1.610 31.331 29.700 0.035 0.000 1.231 180 E HN 0.035 nan 8.360 nan 0.000 0.439 181 E N 1.315 121.533 120.200 0.031 0.000 2.077 181 E HA -0.139 4.213 4.350 0.002 0.000 0.193 181 E C -1.055 175.552 176.600 0.011 0.000 0.989 181 E CA 1.262 57.675 56.400 0.021 0.000 0.800 181 E CB -0.610 29.097 29.700 0.012 0.000 0.746 181 E HN 0.319 nan 8.360 nan 0.000 0.452 182 P HA -0.180 nan 4.420 nan 0.000 0.215 182 P C 1.490 178.793 177.300 0.005 0.000 1.157 182 P CA 0.841 63.943 63.100 0.003 0.000 0.868 182 P CB 0.052 31.754 31.700 0.002 0.000 0.788 183 L N -0.185 121.047 121.223 0.015 0.000 2.017 183 L HA -0.089 4.252 4.340 0.002 0.000 0.208 183 L C 2.237 179.124 176.870 0.029 0.000 1.073 183 L CA 2.198 57.051 54.840 0.022 0.000 0.745 183 L CB -1.550 40.528 42.059 0.031 0.000 0.894 183 L HN -0.115 nan 8.230 nan 0.000 0.432 184 A N -0.411 122.436 122.820 0.044 0.000 1.978 184 A HA -0.255 4.066 4.320 0.002 0.000 0.220 184 A C 2.545 180.127 177.584 -0.002 0.000 1.170 184 A CA 1.868 53.945 52.037 0.068 0.000 0.636 184 A CB -0.697 18.362 19.000 0.099 0.000 0.810 184 A HN 0.558 nan 8.150 nan 0.000 0.448 185 R N -0.351 120.132 120.500 -0.028 0.000 2.066 185 R HA -0.127 4.215 4.340 0.002 0.000 0.232 185 R C 1.566 177.837 176.300 -0.048 0.000 1.131 185 R CA 1.604 57.666 56.100 -0.064 0.000 0.955 185 R CB -0.302 29.971 30.300 -0.046 0.000 0.851 185 R HN 0.484 nan 8.270 nan 0.000 0.432 186 N N 0.784 119.473 118.700 -0.019 0.000 2.289 186 N HA -0.120 4.622 4.740 0.002 0.000 0.184 186 N C 1.570 177.078 175.510 -0.004 0.000 1.016 186 N CA 0.922 53.968 53.050 -0.008 0.000 0.872 186 N CB -0.075 38.415 38.487 0.004 0.000 0.973 186 N HN 0.300 nan 8.380 nan 0.000 0.433 187 L N -0.171 121.051 121.223 -0.001 0.000 2.492 187 L HA 0.067 4.408 4.340 0.002 0.000 0.223 187 L C 0.602 177.469 176.870 -0.005 0.000 1.132 187 L CA 0.334 55.176 54.840 0.004 0.000 0.850 187 L CB 0.057 42.127 42.059 0.018 0.000 0.966 187 L HN -0.043 nan 8.230 nan 0.000 0.454 188 R N 0.480 120.958 120.500 -0.036 0.000 2.486 188 R HA 0.177 4.518 4.340 0.002 0.000 0.286 188 R C 0.006 176.287 176.300 -0.032 0.000 0.999 188 R CA -0.681 55.383 56.100 -0.059 0.000 0.993 188 R CB 0.722 30.898 30.300 -0.205 0.000 1.084 188 R HN -0.130 nan 8.270 nan 0.000 0.487 189 N N 3.138 121.837 118.700 -0.001 0.000 2.415 189 N HA 0.020 4.761 4.740 0.002 0.000 0.250 189 N C 0.051 175.559 175.510 -0.003 0.000 1.127 189 N CA 0.087 53.142 53.050 0.009 0.000 0.945 189 N CB 0.716 39.225 38.487 0.036 0.000 1.196 189 N HN 0.525 nan 8.380 nan 0.000 0.499 190 M N 1.411 121.002 119.600 -0.015 0.000 2.453 190 M HA 0.085 4.567 4.480 0.002 0.000 0.239 190 M C 1.013 177.310 176.300 -0.005 0.000 1.151 190 M CA 0.124 55.412 55.300 -0.020 0.000 0.989 190 M CB -0.453 32.128 32.600 -0.031 0.000 1.548 190 M HN 0.307 nan 8.290 nan 0.000 0.479 191 S N 1.882 117.584 115.700 0.004 0.000 2.527 191 S HA 0.006 4.478 4.470 0.002 0.000 0.222 191 S C 0.545 175.152 174.600 0.013 0.000 0.985 191 S CA 0.372 58.576 58.200 0.008 0.000 0.921 191 S CB -0.175 63.031 63.200 0.010 0.000 0.772 191 S HN 0.747 nan 8.310 nan 0.000 0.529 192 N N -0.852 117.859 118.700 0.018 0.000 3.277 192 N HA 0.220 4.962 4.740 0.002 0.000 0.278 192 N C -1.129 174.400 175.510 0.032 0.000 1.544 192 N CA -0.776 52.289 53.050 0.025 0.000 0.869 192 N CB 0.316 38.820 38.487 0.029 0.000 1.584 192 N HN -0.341 nan 8.380 nan 0.000 0.564 193 Q N -0.048 119.777 119.800 0.041 0.000 2.211 193 Q HA 0.375 4.717 4.340 0.002 0.000 0.231 193 Q C 0.274 176.319 176.000 0.075 0.000 0.865 193 Q CA 0.031 55.867 55.803 0.054 0.000 0.997 193 Q CB -0.082 28.688 28.738 0.053 0.000 1.101 193 Q HN 0.642 nan 8.270 nan 0.000 0.468 194 L N -1.245 120.024 121.223 0.077 0.000 2.567 194 L HA 0.186 4.527 4.340 0.002 0.000 0.225 194 L C 1.078 178.025 176.870 0.128 0.000 1.119 194 L CA 0.402 55.297 54.840 0.091 0.000 0.871 194 L CB -0.004 42.098 42.059 0.072 0.000 1.036 194 L HN 0.363 nan 8.230 nan 0.000 0.459 195 G N 1.297 110.186 108.800 0.148 0.000 2.198 195 G HA2 -0.271 3.690 3.960 0.002 0.000 0.260 195 G HA3 -0.271 3.690 3.960 0.002 0.000 0.260 195 G C 0.123 175.247 174.900 0.373 0.000 1.025 195 G CA 0.085 45.331 45.100 0.245 0.000 0.769 195 G HN 0.251 nan 8.290 nan 0.000 0.507 196 L N -0.847 120.536 121.223 0.267 0.000 2.416 196 L HA 0.633 4.975 4.340 0.002 0.000 0.262 196 L C 1.213 178.233 176.870 0.251 0.000 1.093 196 L CA -1.115 53.911 54.840 0.309 0.000 0.801 196 L CB 0.893 43.056 42.059 0.173 0.000 1.191 196 L HN 0.012 nan 8.230 nan 0.000 0.459 197 L N 1.386 122.733 121.223 0.208 0.000 2.350 197 L HA 0.416 4.757 4.340 0.002 0.000 0.275 197 L C 0.548 177.446 176.870 0.046 0.000 1.099 197 L CA -0.438 54.437 54.840 0.059 0.000 0.808 197 L CB 1.337 43.364 42.059 -0.054 0.000 1.149 197 L HN 0.713 nan 8.230 nan 0.000 0.442 198 A N 2.938 125.770 122.820 0.019 0.000 2.511 198 A HA 0.428 4.749 4.320 0.002 0.000 0.242 198 A C -0.100 177.485 177.584 0.000 0.000 1.069 198 A CA -0.272 51.772 52.037 0.012 0.000 0.763 198 A CB 0.256 19.261 19.000 0.007 0.000 1.001 198 A HN 0.573 nan 8.150 nan 0.000 0.498 199 V N 1.383 121.296 119.914 -0.002 0.000 3.096 199 V HA 0.498 4.619 4.120 0.002 0.000 0.319 199 V C 0.417 176.492 176.094 -0.033 0.000 1.103 199 V CA -1.401 60.887 62.300 -0.020 0.000 1.016 199 V CB 1.553 33.368 31.823 -0.012 0.000 1.090 199 V HN 0.882 nan 8.190 nan 0.000 0.449 200 N N 1.930 120.594 118.700 -0.060 0.000 2.454 200 N HA 0.039 4.781 4.740 0.002 0.000 0.260 200 N C 0.557 176.036 175.510 -0.053 0.000 1.218 200 N CA 0.137 53.127 53.050 -0.099 0.000 0.904 200 N CB 1.284 39.683 38.487 -0.146 0.000 1.065 200 N HN 0.768 nan 8.380 nan 0.000 0.462 201 Q N 2.969 122.741 119.800 -0.047 0.000 2.408 201 Q HA 0.092 4.433 4.340 0.002 0.000 0.205 201 Q C 1.167 177.128 176.000 -0.065 0.000 0.919 201 Q CA 0.548 56.331 55.803 -0.033 0.000 0.932 201 Q CB 0.388 29.120 28.738 -0.011 0.000 1.058 201 Q HN 0.595 nan 8.270 nan 0.000 0.517 202 R N -1.177 119.269 120.500 -0.089 0.000 2.175 202 R HA 0.200 4.541 4.340 0.002 0.000 0.202 202 R C -0.084 175.922 176.300 -0.489 0.000 1.018 202 R CA 0.456 56.389 56.100 -0.279 0.000 1.029 202 R CB 0.689 30.854 30.300 -0.225 0.000 0.959 202 R HN 0.027 nan 8.270 nan 0.000 0.480 203 F N -0.382 119.566 119.950 -0.003 0.000 2.613 203 F HA 0.413 4.941 4.527 0.002 0.000 0.314 203 F C -0.281 175.514 175.800 -0.009 0.000 1.075 203 F CA -0.808 57.205 58.000 0.022 0.000 0.945 203 F CB 2.020 41.065 39.000 0.074 0.000 1.310 203 F HN -0.312 nan 8.300 nan 0.000 0.467 204 Q N 0.220 120.155 119.800 0.225 0.000 2.456 204 Q HA 0.302 4.644 4.340 0.002 0.000 0.283 204 Q C -1.933 174.128 176.000 0.101 0.000 1.084 204 Q CA -1.068 54.802 55.803 0.111 0.000 0.801 204 Q CB 3.001 31.777 28.738 0.063 0.000 1.434 204 Q HN 0.508 nan 8.270 nan 0.000 0.419 205 D N 1.785 122.214 120.400 0.047 0.000 2.467 205 D HA 0.136 4.777 4.640 0.002 0.000 0.220 205 D C -0.690 175.620 176.300 0.017 0.000 1.103 205 D CA -0.118 53.898 54.000 0.026 0.000 0.886 205 D CB -0.026 40.770 40.800 -0.007 0.000 1.025 205 D HN 0.501 nan 8.370 nan 0.000 0.514 206 N N 3.423 122.139 118.700 0.026 0.000 2.716 206 N HA -0.194 4.547 4.740 0.002 0.000 0.250 206 N C 1.021 176.539 175.510 0.013 0.000 1.033 206 N CA 1.324 54.384 53.050 0.017 0.000 0.727 206 N CB -1.319 37.170 38.487 0.004 0.000 0.950 206 N HN 0.821 nan 8.380 nan 0.000 0.541 207 G N -1.552 107.261 108.800 0.021 0.000 2.176 207 G HA2 -0.352 3.609 3.960 0.002 0.000 0.253 207 G HA3 -0.352 3.609 3.960 0.002 0.000 0.253 207 G C 0.196 175.102 174.900 0.009 0.000 0.979 207 G CA 0.604 45.712 45.100 0.015 0.000 0.641 207 G HN 0.599 nan 8.290 nan 0.000 0.530 208 R N 0.101 120.604 120.500 0.006 0.000 2.758 208 R HA 0.749 5.091 4.340 0.002 0.000 0.265 208 R C 0.511 176.806 176.300 -0.007 0.000 1.016 208 R CA -0.220 55.877 56.100 -0.004 0.000 1.040 208 R CB 1.224 31.516 30.300 -0.012 0.000 1.152 208 R HN 0.478 nan 8.270 nan 0.000 0.503 209 A N 2.142 124.952 122.820 -0.017 0.000 2.440 209 A HA 0.322 4.643 4.320 0.002 0.000 0.251 209 A C -0.196 177.352 177.584 -0.059 0.000 1.089 209 A CA -0.113 51.908 52.037 -0.027 0.000 0.779 209 A CB 0.158 19.144 19.000 -0.023 0.000 1.022 209 A HN 0.504 nan 8.150 nan 0.000 0.492 210 L N 1.797 122.979 121.223 -0.068 0.000 2.332 210 L HA 0.443 4.785 4.340 0.002 0.000 0.269 210 L C -0.132 176.633 176.870 -0.175 0.000 1.016 210 L CA -0.870 53.882 54.840 -0.146 0.000 0.809 210 L CB 1.405 43.414 42.059 -0.082 0.000 1.280 210 L HN 0.620 nan 8.230 nan 0.000 0.447 211 L N 2.759 123.790 121.223 -0.320 0.000 2.461 211 L HA 0.206 4.547 4.340 0.002 0.000 0.272 211 L C -1.965 174.894 176.870 -0.019 0.000 1.197 211 L CA -1.543 53.185 54.840 -0.187 0.000 0.836 211 L CB 0.113 42.004 42.059 -0.279 0.000 1.105 211 L HN 0.323 nan 8.230 nan 0.000 0.477 212 P HA 0.022 nan 4.420 nan 0.000 0.270 212 P C -0.773 176.607 177.300 0.133 0.000 1.223 212 P CA 0.030 63.128 63.100 -0.003 0.000 0.785 212 P CB 0.411 32.128 31.700 0.029 0.000 0.923 213 F N 0.014 120.070 119.950 0.176 0.000 2.382 213 F HA 0.191 4.719 4.527 0.002 0.000 0.331 213 F C 1.540 177.373 175.800 0.056 0.000 1.121 213 F CA -0.281 57.772 58.000 0.088 0.000 1.183 213 F CB 0.552 39.574 39.000 0.035 0.000 1.207 213 F HN 0.230 nan 8.300 nan 0.000 0.555 214 D N 0.615 121.160 120.400 0.241 0.000 2.387 214 D HA 0.093 4.734 4.640 0.002 0.000 0.255 214 D C -0.976 175.370 176.300 0.077 0.000 1.081 214 D CA -0.329 53.743 54.000 0.121 0.000 0.994 214 D CB 1.048 41.893 40.800 0.075 0.000 1.127 214 D HN 0.336 nan 8.370 nan 0.000 0.513 215 N N 2.064 120.795 118.700 0.051 0.000 2.898 215 N HA 0.219 4.961 4.740 0.002 0.000 0.245 215 N C -1.155 174.376 175.510 0.035 0.000 1.185 215 N CA -0.273 52.806 53.050 0.047 0.000 0.879 215 N CB -0.048 38.477 38.487 0.063 0.000 1.157 215 N HN 0.325 nan 8.380 nan 0.000 0.503 216 L N 2.220 123.453 121.223 0.017 0.000 2.325 216 L HA 0.353 4.694 4.340 0.002 0.000 0.279 216 L C 1.751 178.680 176.870 0.098 0.000 1.054 216 L CA -0.737 54.101 54.840 -0.004 0.000 0.804 216 L CB 1.389 43.416 42.059 -0.053 0.000 1.200 216 L HN 0.456 nan 8.230 nan 0.000 0.436 217 H N 0.092 119.125 119.070 -0.062 0.000 2.363 217 H HA -0.031 4.526 4.556 0.003 0.000 0.301 217 H C -0.088 175.197 175.328 -0.072 0.000 1.074 217 H CA 0.602 56.614 56.048 -0.058 0.000 1.354 217 H CB 0.608 30.341 29.762 -0.048 0.000 1.397 217 H HN 0.553 nan 8.280 nan 0.000 0.516 218 D N 1.279 121.701 120.400 0.037 0.000 2.483 218 D HA 0.019 4.660 4.640 0.002 0.000 0.281 218 D C -0.884 175.356 176.300 -0.099 0.000 1.174 218 D CA -0.092 53.883 54.000 -0.041 0.000 0.938 218 D CB 0.357 41.127 40.800 -0.050 0.000 1.002 218 D HN 0.279 nan 8.370 nan 0.000 0.501 219 D N 2.557 122.899 120.400 -0.097 0.000 2.358 219 D HA 0.020 4.661 4.640 0.002 0.000 0.258 219 D C -1.298 174.891 176.300 -0.185 0.000 1.223 219 D CA -1.289 52.628 54.000 -0.139 0.000 0.886 219 D CB 1.866 42.596 40.800 -0.117 0.000 1.120 219 D HN 0.117 nan 8.370 nan 0.000 0.482 220 P HA -0.052 nan 4.420 nan 0.000 0.222 220 P C 1.488 178.656 177.300 -0.219 0.000 1.153 220 P CA 0.304 63.175 63.100 -0.383 0.000 0.798 220 P CB 0.187 31.364 31.700 -0.872 0.000 0.796 221 c N -0.231 118.287 118.600 -0.137 0.000 2.435 221 c HA -0.014 4.557 4.570 0.002 0.000 0.279 221 c C 2.946 177.033 174.090 -0.004 0.000 1.321 221 c CA 0.381 56.717 56.329 0.012 0.000 1.752 221 c CB -1.861 40.643 42.510 -0.009 0.000 1.959 221 c HN 0.176 nan 8.230 nan 0.000 0.500 222 L N 0.367 121.542 121.223 -0.082 0.000 2.191 222 L HA -0.125 4.217 4.340 0.002 0.000 0.212 222 L C 2.309 179.135 176.870 -0.074 0.000 1.103 222 L CA 1.222 56.005 54.840 -0.094 0.000 0.769 222 L CB -0.471 41.519 42.059 -0.116 0.000 0.908 222 L HN 0.407 nan 8.230 nan 0.000 0.438 223 L N -0.610 120.578 121.223 -0.059 0.000 2.376 223 L HA -0.097 4.245 4.340 0.002 0.000 0.219 223 L C 2.562 179.433 176.870 0.002 0.000 1.133 223 L CA 1.205 56.020 54.840 -0.042 0.000 0.816 223 L CB -0.804 41.226 42.059 -0.049 0.000 0.933 223 L HN 0.408 nan 8.230 nan 0.000 0.449 224 T N -3.785 110.807 114.554 0.063 0.000 3.085 224 T HA -0.048 4.303 4.350 0.002 0.000 0.263 224 T C 0.839 175.562 174.700 0.038 0.000 1.127 224 T CA 0.313 62.510 62.100 0.162 0.000 1.103 224 T CB -0.076 69.003 68.868 0.351 0.000 0.921 224 T HN 0.215 nan 8.240 nan 0.000 0.510 225 N N 0.284 118.877 118.700 -0.179 0.000 2.976 225 N HA 0.163 4.904 4.740 0.002 0.000 0.249 225 N C 0.340 175.658 175.510 -0.319 0.000 1.258 225 N CA -0.428 52.354 53.050 -0.447 0.000 0.864 225 N CB 1.261 39.008 38.487 -1.232 0.000 1.551 225 N HN -0.133 nan 8.380 nan 0.000 0.607 226 R N 0.621 120.993 120.500 -0.213 0.000 2.091 226 R HA -0.084 4.258 4.340 0.002 0.000 0.238 226 R C 1.784 177.985 176.300 -0.165 0.000 1.136 226 R CA 1.379 57.385 56.100 -0.156 0.000 0.959 226 R CB -1.116 29.116 30.300 -0.113 0.000 0.856 226 R HN 0.589 nan 8.270 nan 0.000 0.437 227 S N 0.669 116.253 115.700 -0.193 0.000 2.382 227 S HA -0.066 4.406 4.470 0.002 0.000 0.228 227 S C 2.005 176.507 174.600 -0.164 0.000 1.027 227 S CA 1.177 59.278 58.200 -0.164 0.000 0.991 227 S CB -0.114 62.985 63.200 -0.168 0.000 0.823 227 S HN 0.415 nan 8.310 nan 0.000 0.469 228 A N 1.086 123.760 122.820 -0.243 0.000 1.969 228 A HA 0.144 4.465 4.320 0.002 0.000 0.218 228 A C 1.175 178.695 177.584 -0.108 0.000 1.169 228 A CA 1.031 52.959 52.037 -0.181 0.000 0.635 228 A CB -0.525 18.311 19.000 -0.274 0.000 0.810 228 A HN 0.675 nan 8.150 nan 0.000 0.445 229 R N -1.572 118.846 120.500 -0.138 0.000 3.333 229 R HA -0.130 4.211 4.340 0.002 0.000 0.256 229 R C -1.009 175.191 176.300 -0.167 0.000 1.010 229 R CA 0.656 56.680 56.100 -0.127 0.000 0.680 229 R CB -1.881 28.366 30.300 -0.088 0.000 1.102 229 R HN 0.372 nan 8.270 nan 0.000 0.440 230 I N 1.934 122.396 120.570 -0.181 0.000 2.328 230 I HA 0.265 4.437 4.170 0.002 0.000 0.287 230 I C -1.247 174.629 176.117 -0.402 0.000 1.012 230 I CA -2.676 58.428 61.300 -0.326 0.000 1.195 230 I CB 0.749 38.663 38.000 -0.144 0.000 1.350 230 I HN -0.048 nan 8.210 nan 0.000 0.464 231 P HA 0.156 nan 4.420 nan 0.000 0.275 231 P C -0.202 176.845 177.300 -0.421 0.000 1.266 231 P CA -0.372 62.450 63.100 -0.462 0.000 0.793 231 P CB 0.842 32.269 31.700 -0.455 0.000 1.074 232 c N -0.183 118.285 118.600 -0.221 0.000 2.689 232 c HA 0.257 4.828 4.570 0.002 0.000 0.409 232 c C 0.960 175.008 174.090 -0.069 0.000 1.293 232 c CA -0.057 56.194 56.329 -0.130 0.000 2.136 232 c CB -1.514 40.991 42.510 -0.007 0.000 2.719 232 c HN 0.357 nan 8.230 nan 0.000 0.644 233 F N 1.396 121.451 119.950 0.175 0.000 2.382 233 F HA 0.444 4.972 4.527 0.002 0.000 0.331 233 F C 0.356 176.193 175.800 0.061 0.000 1.121 233 F CA -0.532 57.562 58.000 0.157 0.000 1.183 233 F CB 0.339 39.376 39.000 0.063 0.000 1.207 233 F HN 0.294 nan 8.300 nan 0.000 0.555 234 L N 2.599 123.977 121.223 0.258 0.000 2.264 234 L HA 0.749 5.091 4.340 0.002 0.000 0.289 234 L C -0.411 176.488 176.870 0.049 0.000 1.044 234 L CA -0.001 54.909 54.840 0.117 0.000 0.807 234 L CB 0.161 42.282 42.059 0.103 0.000 1.192 234 L HN 0.697 nan 8.230 nan 0.000 0.425 235 A N 3.151 125.965 122.820 -0.009 0.000 2.552 235 A HA 0.651 4.972 4.320 0.002 0.000 0.288 235 A C 0.834 178.411 177.584 -0.011 0.000 1.193 235 A CA -0.134 51.869 52.037 -0.058 0.000 0.713 235 A CB 0.523 19.372 19.000 -0.252 0.000 1.305 235 A HN 0.799 nan 8.150 nan 0.000 0.424 236 G N -0.889 107.923 108.800 0.020 0.000 2.448 236 G HA2 0.121 4.082 3.960 0.002 0.000 0.219 236 G HA3 0.121 4.082 3.960 0.002 0.000 0.219 236 G C 0.273 175.221 174.900 0.081 0.000 1.127 236 G CA 1.598 46.733 45.100 0.057 0.000 0.766 236 G HN 0.871 nan 8.290 nan 0.000 0.552 237 D N -2.148 118.307 120.400 0.093 0.000 2.457 237 D HA 0.399 5.040 4.640 0.002 0.000 0.240 237 D C 1.545 177.862 176.300 0.029 0.000 1.041 237 D CA -0.043 54.012 54.000 0.092 0.000 0.861 237 D CB 1.468 42.371 40.800 0.172 0.000 1.394 237 D HN -0.058 nan 8.370 nan 0.000 0.473 238 T N 0.248 114.826 114.554 0.040 0.000 3.113 238 T HA -0.001 4.351 4.350 0.002 0.000 0.263 238 T C 1.225 175.955 174.700 0.051 0.000 1.143 238 T CA 0.571 62.689 62.100 0.030 0.000 1.090 238 T CB -0.105 68.776 68.868 0.022 0.000 0.922 238 T HN 0.374 nan 8.240 nan 0.000 0.521 239 R N 1.191 121.728 120.500 0.062 0.000 2.427 239 R HA 0.253 4.595 4.340 0.002 0.000 0.262 239 R C 2.383 178.712 176.300 0.048 0.000 0.943 239 R CA 0.442 56.594 56.100 0.087 0.000 1.081 239 R CB 0.121 30.484 30.300 0.104 0.000 1.166 239 R HN 0.568 nan 8.270 nan 0.000 0.534 240 S N -0.404 115.254 115.700 -0.070 0.000 2.419 240 S HA -0.126 4.346 4.470 0.002 0.000 0.235 240 S C 1.577 176.190 174.600 0.022 0.000 1.019 240 S CA 1.404 59.468 58.200 -0.228 0.000 0.982 240 S CB -0.002 62.801 63.200 -0.661 0.000 0.789 240 S HN 0.116 nan 8.310 nan 0.000 0.490 241 S N 0.881 116.646 115.700 0.109 0.000 2.575 241 S HA 0.187 4.658 4.470 0.002 0.000 0.215 241 S C 1.529 176.131 174.600 0.003 0.000 0.966 241 S CA -0.030 58.280 58.200 0.183 0.000 0.911 241 S CB -0.110 63.248 63.200 0.263 0.000 0.780 241 S HN 0.518 nan 8.310 nan 0.000 0.514 242 E N 1.949 122.045 120.200 -0.173 0.000 2.130 242 E HA -0.154 4.198 4.350 0.002 0.000 0.196 242 E C 0.616 177.046 176.600 -0.284 0.000 0.998 242 E CA 0.960 56.985 56.400 -0.624 0.000 0.806 242 E CB 0.053 29.533 29.700 -0.367 0.000 0.738 242 E HN 0.647 nan 8.360 nan 0.000 0.459 243 M N -3.302 116.264 119.600 -0.057 0.000 2.371 243 M HA 0.377 4.858 4.480 0.002 0.000 0.287 243 M C -2.601 173.701 176.300 0.003 0.000 1.149 243 M CA -1.842 53.459 55.300 0.002 0.000 0.929 243 M CB 2.328 34.966 32.600 0.063 0.000 1.683 243 M HN -0.398 nan 8.290 nan 0.000 0.470 244 P HA -0.159 nan 4.420 nan 0.000 0.220 244 P C 0.401 177.697 177.300 -0.006 0.000 1.144 244 P CA 1.631 64.718 63.100 -0.022 0.000 0.800 244 P CB 0.172 31.818 31.700 -0.090 0.000 0.772 245 E N -1.094 119.109 120.200 0.005 0.000 2.107 245 E HA -0.107 4.244 4.350 0.002 0.000 0.191 245 E C 1.798 178.424 176.600 0.043 0.000 0.982 245 E CA 0.574 56.990 56.400 0.027 0.000 0.809 245 E CB -1.010 28.718 29.700 0.046 0.000 0.756 245 E HN 0.148 nan 8.360 nan 0.000 0.459 246 L N 0.664 121.924 121.223 0.061 0.000 2.056 246 L HA -0.105 4.236 4.340 0.002 0.000 0.207 246 L C 1.934 178.890 176.870 0.144 0.000 1.078 246 L CA 1.875 56.776 54.840 0.103 0.000 0.749 246 L CB -0.835 41.299 42.059 0.124 0.000 0.901 246 L HN 0.065 nan 8.230 nan 0.000 0.433 247 T N -0.754 113.858 114.554 0.097 0.000 2.759 247 T HA -0.170 4.182 4.350 0.002 0.000 0.269 247 T C 1.944 176.631 174.700 -0.021 0.000 1.042 247 T CA 1.685 63.809 62.100 0.041 0.000 1.140 247 T CB -0.371 68.514 68.868 0.028 0.000 0.864 247 T HN 0.426 nan 8.240 nan 0.000 0.455 248 S N 0.927 116.616 115.700 -0.018 0.000 2.399 248 S HA -0.012 4.460 4.470 0.002 0.000 0.231 248 S C 2.038 176.624 174.600 -0.024 0.000 1.022 248 S CA 0.836 59.012 58.200 -0.039 0.000 0.983 248 S CB -0.236 62.950 63.200 -0.025 0.000 0.803 248 S HN 0.312 nan 8.310 nan 0.000 0.480 249 M N 0.747 120.347 119.600 -0.000 0.000 2.156 249 M HA 0.010 4.491 4.480 0.002 0.000 0.264 249 M C 1.865 178.129 176.300 -0.059 0.000 1.067 249 M CA 1.374 56.656 55.300 -0.030 0.000 1.131 249 M CB -1.571 31.005 32.600 -0.040 0.000 1.368 249 M HN 0.356 nan 8.290 nan 0.000 0.416 250 H N -0.174 118.857 119.070 -0.065 0.000 2.353 250 H HA -0.066 4.491 4.556 0.002 0.000 0.300 250 H C 1.873 177.127 175.328 -0.124 0.000 1.090 250 H CA 2.027 58.021 56.048 -0.089 0.000 1.327 250 H CB -0.131 29.578 29.762 -0.088 0.000 1.383 250 H HN 0.339 nan 8.280 nan 0.000 0.508 251 T N 1.424 115.964 114.554 -0.024 0.000 2.777 251 T HA -0.107 4.244 4.350 0.002 0.000 0.266 251 T C 2.213 176.872 174.700 -0.068 0.000 1.040 251 T CA 0.748 62.787 62.100 -0.101 0.000 1.141 251 T CB -0.396 68.369 68.868 -0.171 0.000 0.868 251 T HN 0.087 nan 8.240 nan 0.000 0.444 252 L N 0.895 122.085 121.223 -0.054 0.000 2.046 252 L HA 0.026 4.367 4.340 0.002 0.000 0.208 252 L C 2.127 178.973 176.870 -0.039 0.000 1.077 252 L CA 1.610 56.424 54.840 -0.043 0.000 0.747 252 L CB -0.527 41.509 42.059 -0.037 0.000 0.896 252 L HN 0.240 nan 8.230 nan 0.000 0.432 253 L N -1.432 119.762 121.223 -0.049 0.000 2.109 253 L HA -0.171 4.171 4.340 0.002 0.000 0.207 253 L C 2.484 179.336 176.870 -0.031 0.000 1.086 253 L CA 1.047 55.859 54.840 -0.047 0.000 0.760 253 L CB -0.531 41.478 42.059 -0.083 0.000 0.910 253 L HN 0.360 nan 8.230 nan 0.000 0.437 254 L N 0.052 121.246 121.223 -0.049 0.000 2.012 254 L HA -0.243 4.099 4.340 0.002 0.000 0.210 254 L C 2.861 179.747 176.870 0.027 0.000 1.073 254 L CA 1.631 56.449 54.840 -0.037 0.000 0.748 254 L CB -0.240 41.783 42.059 -0.060 0.000 0.891 254 L HN 0.107 nan 8.230 nan 0.000 0.431 255 R N -0.533 119.968 120.500 0.001 0.000 2.081 255 R HA -0.227 4.115 4.340 0.002 0.000 0.235 255 R C 2.261 178.573 176.300 0.020 0.000 1.131 255 R CA 1.606 57.711 56.100 0.008 0.000 0.960 255 R CB -0.450 29.840 30.300 -0.016 0.000 0.856 255 R HN 0.400 nan 8.270 nan 0.000 0.436 256 E N 0.260 120.467 120.200 0.012 0.000 2.110 256 E HA -0.230 4.121 4.350 0.002 0.000 0.193 256 E C 1.743 178.353 176.600 0.016 0.000 0.988 256 E CA 1.674 58.072 56.400 -0.003 0.000 0.804 256 E CB -0.164 29.526 29.700 -0.018 0.000 0.745 256 E HN 0.453 nan 8.360 nan 0.000 0.458 257 H N -0.106 118.962 119.070 -0.003 0.000 2.290 257 H HA -0.072 4.486 4.556 0.002 0.000 0.298 257 H C 1.663 177.012 175.328 0.035 0.000 1.087 257 H CA 2.345 58.417 56.048 0.040 0.000 1.291 257 H CB -0.187 29.632 29.762 0.094 0.000 1.369 257 H HN 0.140 nan 8.280 nan 0.000 0.492 258 N N 0.224 119.013 118.700 0.149 0.000 2.223 258 N HA -0.140 4.601 4.740 0.002 0.000 0.185 258 N C 1.986 177.488 175.510 -0.012 0.000 1.016 258 N CA 1.057 54.161 53.050 0.091 0.000 0.863 258 N CB -0.358 38.199 38.487 0.117 0.000 0.983 258 N HN 0.412 nan 8.380 nan 0.000 0.429 259 R N 0.566 121.049 120.500 -0.029 0.000 2.092 259 R HA 0.037 4.379 4.340 0.002 0.000 0.231 259 R C 1.941 178.184 176.300 -0.094 0.000 1.119 259 R CA 0.751 56.819 56.100 -0.053 0.000 0.970 259 R CB -0.144 30.125 30.300 -0.051 0.000 0.864 259 R HN 0.191 nan 8.270 nan 0.000 0.440 260 L N 0.021 121.161 121.223 -0.139 0.000 2.072 260 L HA -0.054 4.288 4.340 0.002 0.000 0.205 260 L C 2.703 179.474 176.870 -0.166 0.000 1.079 260 L CA 1.132 55.860 54.840 -0.187 0.000 0.752 260 L CB -0.498 41.423 42.059 -0.229 0.000 0.906 260 L HN 0.258 nan 8.230 nan 0.000 0.436 261 A N -0.327 122.375 122.820 -0.196 0.000 1.908 261 A HA -0.216 4.105 4.320 0.002 0.000 0.218 261 A C 2.363 179.933 177.584 -0.024 0.000 1.181 261 A CA 2.438 54.411 52.037 -0.106 0.000 0.627 261 A CB -0.930 18.002 19.000 -0.113 0.000 0.818 261 A HN 0.388 nan 8.150 nan 0.000 0.445 262 T N -0.308 114.225 114.554 -0.036 0.000 2.737 262 T HA -0.124 4.228 4.350 0.002 0.000 0.265 262 T C 1.802 176.481 174.700 -0.034 0.000 1.038 262 T CA 1.536 63.624 62.100 -0.019 0.000 1.144 262 T CB -0.235 68.621 68.868 -0.019 0.000 0.866 262 T HN 0.615 nan 8.240 nan 0.000 0.434 263 E N 0.509 120.671 120.200 -0.063 0.000 2.150 263 E HA -0.017 4.335 4.350 0.002 0.000 0.193 263 E C 2.194 178.745 176.600 -0.082 0.000 0.985 263 E CA 0.663 57.016 56.400 -0.078 0.000 0.814 263 E CB -0.175 29.459 29.700 -0.110 0.000 0.752 263 E HN 0.432 nan 8.360 nan 0.000 0.466 264 L N 0.648 121.833 121.223 -0.063 0.000 2.109 264 L HA -0.155 4.186 4.340 0.002 0.000 0.207 264 L C 2.474 179.313 176.870 -0.051 0.000 1.086 264 L CA 0.805 55.624 54.840 -0.035 0.000 0.760 264 L CB -0.222 41.918 42.059 0.135 0.000 0.910 264 L HN -0.005 nan 8.230 nan 0.000 0.437 265 K N 0.234 120.639 120.400 0.009 0.000 2.097 265 K HA -0.097 4.225 4.320 0.002 0.000 0.205 265 K C 2.137 178.707 176.600 -0.049 0.000 1.050 265 K CA 1.535 57.829 56.287 0.012 0.000 0.938 265 K CB -0.194 32.331 32.500 0.042 0.000 0.718 265 K HN 0.054 nan 8.250 nan 0.000 0.442 266 S N 0.475 116.141 115.700 -0.057 0.000 2.368 266 S HA -0.041 4.430 4.470 0.002 0.000 0.225 266 S C 1.603 176.146 174.600 -0.096 0.000 1.030 266 S CA 1.037 59.199 58.200 -0.063 0.000 0.999 266 S CB -0.190 62.978 63.200 -0.053 0.000 0.844 266 S HN 0.228 nan 8.310 nan 0.000 0.459 267 L N 0.971 122.114 121.223 -0.134 0.000 2.240 267 L HA 0.102 4.443 4.340 0.002 0.000 0.211 267 L C -0.098 176.604 176.870 -0.280 0.000 1.106 267 L CA 1.044 55.780 54.840 -0.173 0.000 0.793 267 L CB -0.372 41.592 42.059 -0.160 0.000 0.927 267 L HN 0.272 nan 8.230 nan 0.000 0.446 268 N N -0.458 118.006 118.700 -0.394 0.000 2.716 268 N HA 0.199 4.941 4.740 0.002 0.000 0.253 268 N C -2.029 173.298 175.510 -0.304 0.000 1.170 268 N CA -1.088 51.611 53.050 -0.585 0.000 0.807 268 N CB 1.555 39.103 38.487 -1.565 0.000 1.183 268 N HN -0.096 nan 8.380 nan 0.000 0.524 269 P HA -0.037 nan 4.420 nan 0.000 0.219 269 P C 0.947 178.261 177.300 0.024 0.000 1.146 269 P CA 1.114 64.189 63.100 -0.042 0.000 0.808 269 P CB 0.468 32.146 31.700 -0.037 0.000 0.779 270 R N -2.691 117.831 120.500 0.036 0.000 2.276 270 R HA 0.018 4.359 4.340 0.002 0.000 0.196 270 R C 0.114 176.583 176.300 0.281 0.000 0.961 270 R CA -0.033 56.144 56.100 0.129 0.000 1.024 270 R CB -0.148 30.223 30.300 0.117 0.000 0.940 270 R HN 0.198 nan 8.270 nan 0.000 0.480 271 W N 3.595 124.913 121.300 0.030 0.000 2.368 271 W HA 0.013 4.675 4.660 0.004 0.000 0.316 271 W C 0.417 176.957 176.519 0.034 0.000 1.375 271 W CA -1.384 55.983 57.345 0.035 0.000 1.261 271 W CB -0.296 29.190 29.460 0.042 0.000 1.298 271 W HN 0.159 nan 8.180 nan 0.000 0.539 272 D N 0.377 120.890 120.400 0.189 0.000 2.414 272 D HA 0.226 4.868 4.640 0.002 0.000 0.251 272 D C 1.582 177.947 176.300 0.108 0.000 1.252 272 D CA -0.121 53.949 54.000 0.116 0.000 0.999 272 D CB -0.144 40.695 40.800 0.064 0.000 1.093 272 D HN 0.377 nan 8.370 nan 0.000 0.515 273 G N -0.856 107.995 108.800 0.084 0.000 2.440 273 G HA2 -0.350 3.612 3.960 0.002 0.000 0.218 273 G HA3 -0.350 3.612 3.960 0.002 0.000 0.218 273 G C 1.357 176.319 174.900 0.103 0.000 1.154 273 G CA 1.207 46.363 45.100 0.093 0.000 0.767 273 G HN 0.624 nan 8.290 nan 0.000 0.552 274 E N 0.462 120.696 120.200 0.056 0.000 2.077 274 E HA -0.133 4.219 4.350 0.002 0.000 0.193 274 E C 2.460 179.088 176.600 0.047 0.000 0.989 274 E CA 1.181 57.617 56.400 0.059 0.000 0.800 274 E CB -0.225 29.478 29.700 0.005 0.000 0.746 274 E HN 0.306 nan 8.360 nan 0.000 0.452 275 R N -0.081 120.386 120.500 -0.054 0.000 2.075 275 R HA 0.029 4.370 4.340 0.002 0.000 0.232 275 R C 2.264 178.439 176.300 -0.208 0.000 1.126 275 R CA 1.367 57.314 56.100 -0.255 0.000 0.963 275 R CB -0.571 29.464 30.300 -0.441 0.000 0.858 275 R HN 0.316 nan 8.270 nan 0.000 0.435 276 L N -0.860 120.382 121.223 0.033 0.000 2.027 276 L HA -0.156 4.186 4.340 0.002 0.000 0.206 276 L C 2.226 179.157 176.870 0.102 0.000 1.074 276 L CA 1.651 56.578 54.840 0.145 0.000 0.745 276 L CB -0.708 41.471 42.059 0.199 0.000 0.898 276 L HN 0.241 nan 8.230 nan 0.000 0.433 277 Y N 0.576 120.908 120.300 0.053 0.000 2.128 277 Y HA -0.315 4.236 4.550 0.002 0.000 0.284 277 Y C 2.764 178.702 175.900 0.064 0.000 1.154 277 Y CA 1.651 59.839 58.100 0.147 0.000 1.149 277 Y CB -0.052 38.476 38.460 0.114 0.000 0.976 277 Y HN 0.162 nan 8.280 nan 0.000 0.505 278 Q N 0.262 119.995 119.800 -0.112 0.000 2.119 278 Q HA -0.152 4.189 4.340 0.002 0.000 0.201 278 Q C 2.052 177.904 176.000 -0.248 0.000 0.972 278 Q CA 1.430 57.066 55.803 -0.279 0.000 0.847 278 Q CB -0.229 28.418 28.738 -0.153 0.000 0.903 278 Q HN 0.632 nan 8.270 nan 0.000 0.433 279 E N 0.547 120.646 120.200 -0.168 0.000 2.107 279 E HA -0.052 4.299 4.350 0.002 0.000 0.191 279 E C 1.861 178.455 176.600 -0.010 0.000 0.982 279 E CA 0.920 57.297 56.400 -0.038 0.000 0.809 279 E CB -0.018 29.705 29.700 0.038 0.000 0.756 279 E HN 0.278 nan 8.360 nan 0.000 0.459 280 A N 1.595 124.347 122.820 -0.114 0.000 1.897 280 A HA -0.159 4.163 4.320 0.002 0.000 0.215 280 A C 2.206 179.741 177.584 -0.081 0.000 1.181 280 A CA 1.463 53.376 52.037 -0.206 0.000 0.620 280 A CB -0.453 18.188 19.000 -0.599 0.000 0.821 280 A HN 0.124 nan 8.150 nan 0.000 0.443 281 R N 0.042 120.435 120.500 -0.178 0.000 2.096 281 R HA -0.157 4.184 4.340 0.002 0.000 0.235 281 R C 2.165 178.312 176.300 -0.255 0.000 1.127 281 R CA 1.918 57.753 56.100 -0.442 0.000 0.968 281 R CB -0.242 29.299 30.300 -1.265 0.000 0.861 281 R HN 0.529 nan 8.270 nan 0.000 0.440 282 K N 0.390 120.693 120.400 -0.161 0.000 2.062 282 K HA -0.075 4.246 4.320 0.002 0.000 0.205 282 K C 2.000 178.723 176.600 0.204 0.000 1.051 282 K CA 1.356 57.638 56.287 -0.009 0.000 0.941 282 K CB -0.029 32.463 32.500 -0.013 0.000 0.719 282 K HN 0.208 nan 8.250 nan 0.000 0.440 283 I N 0.557 121.240 120.570 0.188 0.000 2.202 283 I HA -0.240 3.932 4.170 0.002 0.000 0.242 283 I C 2.161 178.300 176.117 0.036 0.000 1.091 283 I CA 0.733 62.119 61.300 0.144 0.000 1.368 283 I CB -0.121 37.859 38.000 -0.033 0.000 1.058 283 I HN -0.027 nan 8.210 nan 0.000 0.410 284 V N 1.168 121.116 119.914 0.057 0.000 2.332 284 V HA -0.246 3.876 4.120 0.002 0.000 0.248 284 V C 2.610 178.753 176.094 0.082 0.000 1.055 284 V CA 2.260 64.612 62.300 0.086 0.000 1.038 284 V CB -1.456 30.507 31.823 0.232 0.000 0.651 284 V HN 0.588 nan 8.190 nan 0.000 0.450 285 G N -0.418 108.444 108.800 0.103 0.000 2.440 285 G HA2 -0.243 3.718 3.960 0.002 0.000 0.218 285 G HA3 -0.243 3.718 3.960 0.002 0.000 0.218 285 G C 1.764 176.680 174.900 0.027 0.000 1.154 285 G CA 1.087 46.239 45.100 0.086 0.000 0.767 285 G HN 0.625 nan 8.290 nan 0.000 0.552 286 A N 0.392 123.221 122.820 0.014 0.000 1.933 286 A HA 0.053 4.375 4.320 0.002 0.000 0.218 286 A C 2.460 179.839 177.584 -0.341 0.000 1.175 286 A CA 1.766 53.704 52.037 -0.164 0.000 0.628 286 A CB -0.331 18.584 19.000 -0.142 0.000 0.814 286 A HN 0.401 nan 8.150 nan 0.000 0.444 287 M N -0.807 118.667 119.600 -0.209 0.000 2.117 287 M HA -0.127 4.355 4.480 0.002 0.000 0.262 287 M C 2.055 178.287 176.300 -0.113 0.000 1.065 287 M CA 1.360 56.542 55.300 -0.196 0.000 1.114 287 M CB -0.371 32.154 32.600 -0.125 0.000 1.361 287 M HN 0.249 nan 8.290 nan 0.000 0.408 288 V N 0.240 120.132 119.914 -0.037 0.000 2.407 288 V HA -0.269 3.852 4.120 0.002 0.000 0.248 288 V C 2.185 178.330 176.094 0.085 0.000 1.055 288 V CA 1.699 64.020 62.300 0.035 0.000 1.049 288 V CB -0.815 31.052 31.823 0.073 0.000 0.662 288 V HN 0.530 nan 8.190 nan 0.000 0.455 289 Q N -0.559 119.255 119.800 0.023 0.000 2.079 289 Q HA -0.096 4.245 4.340 0.002 0.000 0.200 289 Q C 2.308 178.372 176.000 0.106 0.000 0.974 289 Q CA 1.582 57.439 55.803 0.091 0.000 0.840 289 Q CB -0.146 28.425 28.738 -0.278 0.000 0.898 289 Q HN 0.576 nan 8.270 nan 0.000 0.430 290 I N 0.471 120.917 120.570 -0.207 0.000 2.202 290 I HA -0.277 3.894 4.170 0.002 0.000 0.242 290 I C 2.194 178.350 176.117 0.065 0.000 1.091 290 I CA 1.103 62.297 61.300 -0.178 0.000 1.368 290 I CB -0.224 37.467 38.000 -0.514 0.000 1.058 290 I HN 0.184 nan 8.210 nan 0.000 0.410 291 I N 0.321 120.925 120.570 0.057 0.000 2.208 291 I HA -0.289 3.882 4.170 0.002 0.000 0.245 291 I C 2.551 178.842 176.117 0.289 0.000 1.097 291 I CA 1.572 62.976 61.300 0.172 0.000 1.363 291 I CB -0.613 37.477 38.000 0.149 0.000 1.051 291 I HN 0.247 nan 8.210 nan 0.000 0.413 292 T N -0.290 114.411 114.554 0.246 0.000 2.674 292 T HA -0.198 4.153 4.350 0.002 0.000 0.265 292 T C 1.714 176.519 174.700 0.175 0.000 1.039 292 T CA 1.706 63.923 62.100 0.195 0.000 1.150 292 T CB -0.362 68.614 68.868 0.179 0.000 0.864 292 T HN 0.309 nan 8.240 nan 0.000 0.427 293 Y N 0.251 120.692 120.300 0.237 0.000 2.397 293 Y HA 0.219 4.770 4.550 0.003 0.000 0.292 293 Y C 2.717 178.750 175.900 0.222 0.000 1.115 293 Y CA 0.349 58.599 58.100 0.250 0.000 1.208 293 Y CB 0.088 38.811 38.460 0.438 0.000 1.046 293 Y HN -0.037 nan 8.280 nan 0.000 0.552 294 R N 0.179 120.899 120.500 0.368 0.000 2.080 294 R HA -0.091 4.251 4.340 0.002 0.000 0.222 294 R C 0.777 177.208 176.300 0.218 0.000 1.107 294 R CA 1.729 57.990 56.100 0.268 0.000 0.980 294 R CB 0.124 30.555 30.300 0.218 0.000 0.879 294 R HN 0.260 nan 8.270 nan 0.000 0.439 295 D N -1.284 119.277 120.400 0.268 0.000 2.525 295 D HA -0.065 4.577 4.640 0.002 0.000 0.248 295 D C 1.329 177.887 176.300 0.429 0.000 1.000 295 D CA 0.558 54.761 54.000 0.338 0.000 0.923 295 D CB -0.242 40.782 40.800 0.373 0.000 1.101 295 D HN 0.148 nan 8.370 nan 0.000 0.493 296 Y N 1.876 122.285 120.300 0.181 0.000 2.177 296 Y HA 0.086 4.637 4.550 0.002 0.000 0.291 296 Y C 2.189 177.990 175.900 -0.165 0.000 1.117 296 Y CA 1.050 59.033 58.100 -0.195 0.000 1.114 296 Y CB -0.420 37.773 38.460 -0.444 0.000 1.017 296 Y HN -0.219 nan 8.280 nan 0.000 0.505 297 L N 0.406 121.498 121.223 -0.219 0.000 2.083 297 L HA -0.148 4.193 4.340 0.002 0.000 0.209 297 L C -0.665 176.066 176.870 -0.233 0.000 1.083 297 L CA 1.201 55.824 54.840 -0.362 0.000 0.752 297 L CB -1.690 40.122 42.059 -0.411 0.000 0.899 297 L HN 0.233 nan 8.230 nan 0.000 0.433 298 P HA -0.161 nan 4.420 nan 0.000 0.218 298 P C 1.568 178.822 177.300 -0.077 0.000 1.148 298 P CA 1.119 64.194 63.100 -0.042 0.000 0.822 298 P CB 0.126 31.842 31.700 0.027 0.000 0.784 299 L N -1.962 119.187 121.223 -0.123 0.000 2.418 299 L HA -0.039 4.302 4.340 0.002 0.000 0.218 299 L C 2.151 178.897 176.870 -0.208 0.000 1.125 299 L CA 1.174 55.941 54.840 -0.121 0.000 0.835 299 L CB -1.018 41.005 42.059 -0.059 0.000 0.953 299 L HN -0.146 nan 8.230 nan 0.000 0.454 300 V N -1.081 118.623 119.914 -0.349 0.000 2.331 300 V HA -0.164 3.957 4.120 0.002 0.000 0.242 300 V C 2.135 178.080 176.094 -0.249 0.000 1.034 300 V CA 1.351 63.431 62.300 -0.368 0.000 1.027 300 V CB -0.306 31.214 31.823 -0.505 0.000 0.667 300 V HN 0.274 nan 8.190 nan 0.000 0.457 301 L N -0.171 120.943 121.223 -0.180 0.000 2.270 301 L HA 0.405 4.746 4.340 0.002 0.000 0.210 301 L C 1.207 178.052 176.870 -0.043 0.000 1.104 301 L CA 0.850 55.637 54.840 -0.088 0.000 0.804 301 L CB -0.645 41.403 42.059 -0.019 0.000 0.937 301 L HN 0.566 nan 8.230 nan 0.000 0.450 302 G N -0.349 108.423 108.800 -0.046 0.000 2.730 302 G HA2 -0.168 3.794 3.960 0.002 0.000 0.686 302 G HA3 -0.168 3.794 3.960 0.002 0.000 0.686 302 G C -2.357 172.545 174.900 0.003 0.000 1.343 302 G CA -0.514 44.575 45.100 -0.018 0.000 0.826 302 G HN -0.046 nan 8.290 nan 0.000 0.582 303 P HA -0.049 nan 4.420 nan 0.000 0.215 303 P C 2.105 179.413 177.300 0.014 0.000 1.157 303 P CA 2.458 65.567 63.100 0.015 0.000 0.868 303 P CB 0.001 31.708 31.700 0.012 0.000 0.788 304 T N -0.524 114.034 114.554 0.008 0.000 2.708 304 T HA -0.122 4.229 4.350 0.002 0.000 0.266 304 T C 1.915 176.611 174.700 -0.007 0.000 1.037 304 T CA 1.745 63.843 62.100 -0.004 0.000 1.146 304 T CB -0.969 67.896 68.868 -0.004 0.000 0.865 304 T HN 0.047 nan 8.240 nan 0.000 0.435 305 A N 0.847 123.693 122.820 0.043 0.000 1.968 305 A HA 0.054 4.375 4.320 0.002 0.000 0.217 305 A C 2.204 179.878 177.584 0.150 0.000 1.169 305 A CA 1.407 53.523 52.037 0.132 0.000 0.638 305 A CB -0.586 18.552 19.000 0.230 0.000 0.812 305 A HN 0.404 nan 8.150 nan 0.000 0.446 306 M N -0.043 119.609 119.600 0.088 0.000 2.086 306 M HA -0.100 4.381 4.480 0.002 0.000 0.261 306 M C 2.052 178.392 176.300 0.067 0.000 1.067 306 M CA 1.678 57.030 55.300 0.086 0.000 1.116 306 M CB -0.382 32.252 32.600 0.056 0.000 1.348 306 M HN 0.362 nan 8.290 nan 0.000 0.407 307 R N -0.571 119.943 120.500 0.023 0.000 2.092 307 R HA -0.142 4.199 4.340 0.002 0.000 0.231 307 R C 2.361 178.628 176.300 -0.054 0.000 1.119 307 R CA 1.537 57.636 56.100 -0.001 0.000 0.970 307 R CB -0.363 29.929 30.300 -0.012 0.000 0.864 307 R HN 0.448 nan 8.270 nan 0.000 0.440 308 K N -0.143 120.171 120.400 -0.143 0.000 2.031 308 K HA -0.144 4.178 4.320 0.002 0.000 0.205 308 K C 1.265 177.648 176.600 -0.361 0.000 1.049 308 K CA 1.406 57.494 56.287 -0.332 0.000 0.939 308 K CB 0.059 32.209 32.500 -0.583 0.000 0.717 308 K HN 0.119 nan 8.250 nan 0.000 0.438 309 Y N -0.130 120.190 120.300 0.032 0.000 2.509 309 Y HA 0.219 4.771 4.550 0.002 0.000 0.270 309 Y C 0.634 176.575 175.900 0.068 0.000 1.103 309 Y CA 0.224 58.352 58.100 0.047 0.000 1.278 309 Y CB 0.611 39.106 38.460 0.059 0.000 1.087 309 Y HN -0.088 nan 8.280 nan 0.000 0.542 310 L N 2.630 123.963 121.223 0.183 0.000 2.732 310 L HA 0.329 4.670 4.340 0.002 0.000 0.246 310 L C -2.398 174.543 176.870 0.119 0.000 1.407 310 L CA -1.696 53.246 54.840 0.171 0.000 0.861 310 L CB 0.617 42.804 42.059 0.215 0.000 1.161 310 L HN -0.117 nan 8.230 nan 0.000 0.510 311 P HA 0.034 nan 4.420 nan 0.000 0.271 311 P C -0.048 177.296 177.300 0.072 0.000 1.244 311 P CA -0.131 62.998 63.100 0.049 0.000 0.793 311 P CB 0.334 32.042 31.700 0.014 0.000 0.984 312 T N 0.985 115.578 114.554 0.064 0.000 2.891 312 T HA -0.107 4.245 4.350 0.002 0.000 0.296 312 T C 0.240 174.994 174.700 0.091 0.000 1.025 312 T CA 0.465 62.619 62.100 0.090 0.000 1.149 312 T CB -0.566 68.340 68.868 0.062 0.000 1.007 312 T HN 0.249 nan 8.240 nan 0.000 0.528 313 Y N 3.523 123.816 120.300 -0.011 0.000 2.712 313 Y HA 0.051 4.602 4.550 0.002 0.000 0.333 313 Y C 1.263 177.135 175.900 -0.046 0.000 1.225 313 Y CA -0.002 58.058 58.100 -0.066 0.000 1.499 313 Y CB 0.410 38.819 38.460 -0.085 0.000 1.288 313 Y HN 0.609 nan 8.280 nan 0.000 0.575 314 R N 2.312 122.379 120.500 -0.723 0.000 2.013 314 R HA 0.314 4.655 4.340 0.002 0.000 0.198 314 R C -0.202 175.575 176.300 -0.873 0.000 1.407 314 R CA 0.730 56.486 56.100 -0.572 0.000 1.140 314 R CB -0.149 29.950 30.300 -0.335 0.000 1.011 314 R HN 0.715 nan 8.270 nan 0.000 0.472 315 S N -1.370 113.778 115.700 -0.920 0.000 2.703 315 S HA 0.159 4.631 4.470 0.002 0.000 0.273 315 S C -1.458 173.010 174.600 -0.219 0.000 1.178 315 S CA -0.961 56.892 58.200 -0.578 0.000 0.838 315 S CB 0.567 63.652 63.200 -0.190 0.000 1.178 315 S HN 0.231 nan 8.310 nan 0.000 0.494 316 Y N 2.853 123.136 120.300 -0.028 0.000 2.632 316 Y HA 0.449 5.000 4.550 0.001 0.000 0.329 316 Y C 0.011 175.893 175.900 -0.031 0.000 1.174 316 Y CA -0.158 57.962 58.100 0.034 0.000 1.469 316 Y CB 0.236 38.720 38.460 0.040 0.000 1.242 316 Y HN 0.792 nan 8.280 nan 0.000 0.540 317 N N 5.604 124.039 118.700 -0.441 0.000 2.564 317 N HA 0.070 4.812 4.740 0.002 0.000 0.248 317 N C 0.060 175.176 175.510 -0.655 0.000 0.986 317 N CA -0.466 52.295 53.050 -0.482 0.000 0.921 317 N CB 0.514 38.874 38.487 -0.212 0.000 1.136 317 N HN 0.823 nan 8.380 nan 0.000 0.509 318 D N 1.396 121.311 120.400 -0.808 0.000 2.378 318 D HA -0.028 4.614 4.640 0.002 0.000 0.227 318 D C -0.052 176.152 176.300 -0.160 0.000 1.012 318 D CA 0.463 54.172 54.000 -0.485 0.000 0.905 318 D CB 0.219 40.835 40.800 -0.307 0.000 0.895 318 D HN 0.217 nan 8.370 nan 0.000 0.532 319 S N -0.503 115.106 115.700 -0.151 0.000 2.556 319 S HA 0.137 4.609 4.470 0.002 0.000 0.216 319 S C 0.534 175.114 174.600 -0.033 0.000 0.970 319 S CA -0.472 57.688 58.200 -0.067 0.000 0.912 319 S CB 0.790 63.950 63.200 -0.067 0.000 0.790 319 S HN 0.121 nan 8.310 nan 0.000 0.504 320 V N 3.476 123.371 119.914 -0.032 0.000 2.368 320 V HA 0.186 4.308 4.120 0.002 0.000 0.266 320 V C 0.029 176.154 176.094 0.052 0.000 1.045 320 V CA -0.886 61.421 62.300 0.012 0.000 0.899 320 V CB 0.877 32.711 31.823 0.020 0.000 1.006 320 V HN 0.208 nan 8.190 nan 0.000 0.470 321 D N 8.613 129.036 120.400 0.038 0.000 2.382 321 D HA 0.111 4.752 4.640 0.002 0.000 0.259 321 D C -1.301 175.008 176.300 0.014 0.000 1.224 321 D CA -1.638 52.384 54.000 0.037 0.000 0.894 321 D CB 1.679 42.493 40.800 0.023 0.000 1.127 321 D HN 0.320 nan 8.370 nan 0.000 0.487 322 P HA 0.088 nan 4.420 nan 0.000 0.262 322 P C 0.077 177.232 177.300 -0.242 0.000 1.304 322 P CA -0.136 62.912 63.100 -0.086 0.000 0.859 322 P CB 0.432 32.136 31.700 0.005 0.000 1.310 323 R N 0.369 120.771 120.500 -0.164 0.000 2.641 323 R HA 0.253 4.594 4.340 0.002 0.000 0.269 323 R C 0.656 176.835 176.300 -0.201 0.000 1.074 323 R CA -0.680 55.313 56.100 -0.179 0.000 1.133 323 R CB 0.463 30.709 30.300 -0.090 0.000 1.029 323 R HN 0.021 nan 8.270 nan 0.000 0.488 324 I N 2.322 122.770 120.570 -0.203 0.000 2.533 324 I HA 0.029 4.201 4.170 0.002 0.000 0.284 324 I C 0.854 176.915 176.117 -0.093 0.000 1.109 324 I CA 0.053 61.227 61.300 -0.208 0.000 1.412 324 I CB 0.397 38.321 38.000 -0.126 0.000 1.396 324 I HN 0.668 nan 8.210 nan 0.000 0.543 325 A N 6.029 128.797 122.820 -0.086 0.000 2.388 325 A HA 0.125 4.446 4.320 0.002 0.000 0.257 325 A C 1.393 179.009 177.584 0.053 0.000 1.095 325 A CA -0.359 51.672 52.037 -0.010 0.000 0.791 325 A CB 0.132 19.118 19.000 -0.023 0.000 1.029 325 A HN 0.802 nan 8.150 nan 0.000 0.489 326 N N 1.571 120.311 118.700 0.067 0.000 2.094 326 N HA -0.165 4.577 4.740 0.002 0.000 0.191 326 N C 1.652 177.219 175.510 0.095 0.000 1.023 326 N CA 1.867 54.990 53.050 0.121 0.000 0.857 326 N CB -0.203 38.365 38.487 0.136 0.000 1.013 326 N HN 0.500 nan 8.380 nan 0.000 0.426 327 V N 0.567 120.461 119.914 -0.034 0.000 2.407 327 V HA -0.200 3.921 4.120 0.002 0.000 0.248 327 V C 2.085 178.083 176.094 -0.159 0.000 1.055 327 V CA 1.649 63.792 62.300 -0.262 0.000 1.049 327 V CB -0.773 30.481 31.823 -0.947 0.000 0.662 327 V HN 0.320 nan 8.190 nan 0.000 0.455 328 F N 1.797 121.635 119.950 -0.187 0.000 2.161 328 F HA -0.208 4.321 4.527 0.003 0.000 0.300 328 F C 2.626 178.426 175.800 -0.001 0.000 1.089 328 F CA 2.304 60.239 58.000 -0.108 0.000 1.282 328 F CB -0.658 38.250 39.000 -0.154 0.000 1.010 328 F HN 0.401 nan 8.300 nan 0.000 0.485 329 T N -2.178 112.423 114.554 0.079 0.000 2.849 329 T HA -0.225 4.126 4.350 0.002 0.000 0.270 329 T C 1.918 176.581 174.700 -0.061 0.000 1.066 329 T CA 1.706 63.829 62.100 0.038 0.000 1.130 329 T CB -0.647 68.297 68.868 0.128 0.000 0.864 329 T HN 0.484 nan 8.240 nan 0.000 0.481 330 N N 0.603 119.256 118.700 -0.079 0.000 2.436 330 N HA 0.185 4.926 4.740 0.002 0.000 0.178 330 N C 2.292 177.801 175.510 -0.002 0.000 1.026 330 N CA 0.813 53.828 53.050 -0.059 0.000 0.880 330 N CB -0.061 38.400 38.487 -0.043 0.000 1.061 330 N HN 0.481 nan 8.380 nan 0.000 0.434 331 A N 0.671 123.444 122.820 -0.077 0.000 1.902 331 A HA -0.133 4.188 4.320 0.002 0.000 0.217 331 A C 1.770 179.356 177.584 0.004 0.000 1.181 331 A CA 0.893 52.901 52.037 -0.048 0.000 0.623 331 A CB -0.928 17.991 19.000 -0.135 0.000 0.818 331 A HN 0.386 nan 8.150 nan 0.000 0.443 332 F N 0.816 120.528 119.950 -0.396 0.000 2.546 332 F HA 0.001 4.530 4.527 0.003 0.000 0.298 332 F C 1.948 177.669 175.800 -0.131 0.000 1.120 332 F CA 0.562 58.366 58.000 -0.326 0.000 1.456 332 F CB -0.190 38.233 39.000 -0.961 0.000 1.088 332 F HN 0.159 nan 8.300 nan 0.000 0.572 333 R N -0.626 119.758 120.500 -0.194 0.000 2.369 333 R HA -0.170 4.171 4.340 0.002 0.000 0.200 333 R C 1.779 177.909 176.300 -0.284 0.000 1.046 333 R CA 0.789 56.586 56.100 -0.504 0.000 1.057 333 R CB -0.861 29.117 30.300 -0.536 0.000 0.888 333 R HN 0.587 nan 8.270 nan 0.000 0.474 334 Y N -0.911 119.313 120.300 -0.125 0.000 2.298 334 Y HA -0.076 4.475 4.550 0.002 0.000 0.287 334 Y C 2.006 177.847 175.900 -0.099 0.000 1.164 334 Y CA 1.034 59.076 58.100 -0.098 0.000 1.229 334 Y CB -0.872 37.470 38.460 -0.198 0.000 0.977 334 Y HN -0.069 nan 8.280 nan 0.000 0.538 335 G N -0.203 107.685 108.800 -1.521 0.000 2.501 335 G HA2 -0.263 3.699 3.960 0.002 0.000 0.220 335 G HA3 -0.263 3.699 3.960 0.002 0.000 0.220 335 G C 1.104 175.807 174.900 -0.330 0.000 1.114 335 G CA 0.949 45.384 45.100 -1.108 0.000 0.757 335 G HN 0.740 nan 8.290 nan 0.000 0.559 336 H N 0.090 119.047 119.070 -0.188 0.000 2.489 336 H HA -0.086 4.472 4.556 0.002 0.000 0.295 336 H C 2.781 178.129 175.328 0.034 0.000 1.082 336 H CA 1.184 57.209 56.048 -0.038 0.000 1.295 336 H CB 0.201 29.969 29.762 0.011 0.000 1.380 336 H HN 0.512 nan 8.280 nan 0.000 0.548 337 T N -1.170 113.471 114.554 0.145 0.000 3.085 337 T HA 0.018 4.369 4.350 0.002 0.000 0.263 337 T C 1.598 176.328 174.700 0.050 0.000 1.127 337 T CA 0.303 62.468 62.100 0.108 0.000 1.103 337 T CB -0.142 68.766 68.868 0.067 0.000 0.921 337 T HN 0.272 nan 8.240 nan 0.000 0.510 338 L N 0.047 121.273 121.223 0.004 0.000 2.585 338 L HA 0.452 4.794 4.340 0.002 0.000 0.226 338 L C 0.761 177.660 176.870 0.048 0.000 1.113 338 L CA -0.196 54.654 54.840 0.017 0.000 0.876 338 L CB -0.221 41.825 42.059 -0.022 0.000 1.072 338 L HN 0.226 nan 8.230 nan 0.000 0.468 339 I N 1.254 121.856 120.570 0.053 0.000 2.587 339 I HA -0.021 4.150 4.170 0.002 0.000 0.284 339 I C 0.525 176.689 176.117 0.078 0.000 1.134 339 I CA 0.228 61.568 61.300 0.066 0.000 1.410 339 I CB 0.339 38.370 38.000 0.051 0.000 1.392 339 I HN 0.213 nan 8.210 nan 0.000 0.545 340 Q N 8.724 128.598 119.800 0.122 0.000 2.306 340 Q HA 0.205 4.546 4.340 0.002 0.000 0.241 340 Q C -1.477 174.555 176.000 0.053 0.000 0.948 340 Q CA -1.516 54.392 55.803 0.176 0.000 0.886 340 Q CB 1.143 30.119 28.738 0.397 0.000 1.227 340 Q HN 0.431 nan 8.270 nan 0.000 0.457 341 P HA -0.015 nan 4.420 nan 0.000 0.237 341 P C -0.476 176.295 177.300 -0.882 0.000 1.178 341 P CA 0.919 63.750 63.100 -0.449 0.000 0.766 341 P CB 0.285 31.669 31.700 -0.526 0.000 0.876 342 F N -0.879 118.955 119.950 -0.193 0.000 2.603 342 F HA 0.498 5.026 4.527 0.002 0.000 0.317 342 F C 0.595 176.107 175.800 -0.480 0.000 1.066 342 F CA -1.498 56.211 58.000 -0.485 0.000 0.941 342 F CB 1.437 39.859 39.000 -0.963 0.000 1.291 342 F HN -0.362 nan 8.300 nan 0.000 0.472 343 M N 2.790 122.245 119.600 -0.241 0.000 2.080 343 M HA 0.497 4.978 4.480 0.002 0.000 0.350 343 M C -1.865 174.298 176.300 -0.228 0.000 1.173 343 M CA -0.331 54.883 55.300 -0.143 0.000 1.052 343 M CB 0.373 32.898 32.600 -0.124 0.000 1.577 343 M HN 0.463 nan 8.290 nan 0.000 0.455 344 F N 4.450 124.424 119.950 0.040 0.000 2.408 344 F HA 0.531 5.059 4.527 0.002 0.000 0.344 344 F C 0.103 175.887 175.800 -0.028 0.000 1.112 344 F CA -0.466 57.539 58.000 0.008 0.000 1.096 344 F CB 0.951 39.965 39.000 0.023 0.000 1.129 344 F HN 0.473 nan 8.300 nan 0.000 0.486 345 R N 4.184 124.736 120.500 0.086 0.000 2.513 345 R HA 0.721 5.062 4.340 0.002 0.000 0.301 345 R C -1.418 174.866 176.300 -0.027 0.000 0.968 345 R CA -0.792 55.311 56.100 0.004 0.000 0.872 345 R CB 2.006 32.280 30.300 -0.043 0.000 1.177 345 R HN 0.614 nan 8.270 nan 0.000 0.444 346 L N 2.088 123.256 121.223 -0.091 0.000 2.354 346 L HA 0.445 4.787 4.340 0.002 0.000 0.269 346 L C -0.087 176.639 176.870 -0.240 0.000 1.005 346 L CA -1.179 53.563 54.840 -0.164 0.000 0.819 346 L CB 1.879 43.803 42.059 -0.226 0.000 1.311 346 L HN 0.646 nan 8.230 nan 0.000 0.423 347 D N -0.003 120.267 120.400 -0.216 0.000 2.425 347 D HA 0.027 4.668 4.640 0.002 0.000 0.274 347 D C 0.758 176.879 176.300 -0.298 0.000 1.242 347 D CA -0.460 53.418 54.000 -0.204 0.000 1.060 347 D CB 0.167 40.893 40.800 -0.123 0.000 1.112 347 D HN 0.575 nan 8.370 nan 0.000 0.561 348 N N -0.981 117.598 118.700 -0.202 0.000 2.443 348 N HA -0.214 4.527 4.740 0.002 0.000 0.184 348 N C 0.994 176.418 175.510 -0.143 0.000 1.037 348 N CA 0.907 53.847 53.050 -0.182 0.000 0.896 348 N CB -0.552 37.884 38.487 -0.086 0.000 0.959 348 N HN 0.591 nan 8.380 nan 0.000 0.442 349 R N -1.766 118.654 120.500 -0.133 0.000 2.466 349 R HA 0.167 4.508 4.340 0.002 0.000 0.279 349 R C -0.498 175.690 176.300 -0.186 0.000 0.976 349 R CA -0.643 55.416 56.100 -0.069 0.000 1.081 349 R CB -0.831 29.469 30.300 0.001 0.000 1.215 349 R HN -0.031 nan 8.270 nan 0.000 0.546 350 Y N 0.474 120.470 120.300 -0.507 0.000 4.079 350 Y HA -0.274 4.277 4.550 0.002 0.000 0.223 350 Y C -0.246 175.458 175.900 -0.326 0.000 1.155 350 Y CA 0.857 58.591 58.100 -0.610 0.000 1.805 350 Y CB -1.454 36.162 38.460 -1.405 0.000 1.571 350 Y HN 0.394 nan 8.280 nan 0.000 0.654 351 Q N -0.070 119.660 119.800 -0.118 0.000 2.226 351 Q HA 0.423 4.764 4.340 0.002 0.000 0.256 351 Q C -2.204 173.759 176.000 -0.061 0.000 0.962 351 Q CA -2.371 53.399 55.803 -0.054 0.000 0.887 351 Q CB 0.930 29.651 28.738 -0.030 0.000 1.282 351 Q HN -0.062 nan 8.270 nan 0.000 0.449 352 P HA -0.056 nan 4.420 nan 0.000 0.258 352 P C -0.443 176.832 177.300 -0.043 0.000 1.172 352 P CA 0.709 63.793 63.100 -0.027 0.000 0.762 352 P CB 0.234 31.924 31.700 -0.016 0.000 0.764 353 M N 4.204 123.773 119.600 -0.051 0.000 2.151 353 M HA 0.090 4.571 4.480 0.002 0.000 0.349 353 M C 0.362 176.637 176.300 -0.042 0.000 1.284 353 M CA -0.417 54.850 55.300 -0.055 0.000 1.173 353 M CB 0.260 32.818 32.600 -0.070 0.000 1.469 353 M HN 0.263 nan 8.290 nan 0.000 0.439 354 E N 5.415 125.595 120.200 -0.033 0.000 2.409 354 E HA 0.096 4.447 4.350 0.002 0.000 0.257 354 E C -1.566 175.023 176.600 -0.019 0.000 1.150 354 E CA -1.107 55.278 56.400 -0.024 0.000 0.942 354 E CB -0.040 29.649 29.700 -0.018 0.000 0.979 354 E HN 0.553 nan 8.360 nan 0.000 0.447 355 P HA -0.020 nan 4.420 nan 0.000 0.221 355 P C -0.175 177.118 177.300 -0.013 0.000 1.155 355 P CA 0.774 63.871 63.100 -0.005 0.000 0.812 355 P CB 0.549 32.255 31.700 0.010 0.000 0.801 356 N N 0.766 119.455 118.700 -0.018 0.000 2.746 356 N HA 0.166 4.908 4.740 0.002 0.000 0.250 356 N C -1.959 173.517 175.510 -0.057 0.000 1.146 356 N CA -1.351 51.679 53.050 -0.033 0.000 0.828 356 N CB 1.600 40.078 38.487 -0.014 0.000 1.158 356 N HN 0.174 nan 8.380 nan 0.000 0.519 357 P HA 0.014 nan 4.420 nan 0.000 0.233 357 P C -0.167 177.068 177.300 -0.108 0.000 1.167 357 P CA 0.547 63.609 63.100 -0.064 0.000 0.770 357 P CB 0.805 32.477 31.700 -0.045 0.000 0.837 358 R N 0.033 120.427 120.500 -0.176 0.000 2.629 358 R HA 0.348 4.689 4.340 0.002 0.000 0.275 358 R C -1.030 175.189 176.300 -0.135 0.000 1.719 358 R CA -0.408 55.492 56.100 -0.335 0.000 1.472 358 R CB 1.476 31.407 30.300 -0.615 0.000 1.237 358 R HN -0.140 nan 8.270 nan 0.000 0.589 359 V N 3.353 123.222 119.914 -0.075 0.000 2.488 359 V HA 0.209 4.331 4.120 0.002 0.000 0.277 359 V C -1.944 174.168 176.094 0.030 0.000 1.046 359 V CA -2.013 60.281 62.300 -0.009 0.000 0.986 359 V CB 1.051 32.824 31.823 -0.083 0.000 0.989 359 V HN 0.390 nan 8.190 nan 0.000 0.475 360 P HA 0.011 nan 4.420 nan 0.000 0.262 360 P C 0.725 177.841 177.300 -0.306 0.000 1.182 360 P CA -0.072 62.904 63.100 -0.205 0.000 0.761 360 P CB 0.552 32.185 31.700 -0.111 0.000 0.795 361 L N 4.004 124.960 121.223 -0.445 0.000 2.129 361 L HA -0.229 4.113 4.340 0.002 0.000 0.212 361 L C 2.044 178.378 176.870 -0.893 0.000 1.087 361 L CA 2.233 56.701 54.840 -0.619 0.000 0.757 361 L CB -1.168 40.584 42.059 -0.511 0.000 0.896 361 L HN 0.387 nan 8.230 nan 0.000 0.434 362 S N -1.770 113.692 115.700 -0.396 0.000 2.595 362 S HA -0.115 4.356 4.470 0.002 0.000 0.235 362 S C 1.799 176.379 174.600 -0.033 0.000 0.974 362 S CA 0.586 58.742 58.200 -0.073 0.000 0.942 362 S CB -0.373 62.867 63.200 0.066 0.000 0.766 362 S HN 0.474 nan 8.310 nan 0.000 0.536 363 R N 0.290 120.705 120.500 -0.143 0.000 2.508 363 R HA 0.271 4.612 4.340 0.002 0.000 0.300 363 R C 1.214 177.479 176.300 -0.059 0.000 0.970 363 R CA 0.473 56.562 56.100 -0.017 0.000 1.102 363 R CB 1.016 31.330 30.300 0.024 0.000 1.246 363 R HN 0.480 nan 8.270 nan 0.000 0.539 364 V N -3.080 116.681 119.914 -0.254 0.000 3.604 364 V HA 0.368 4.490 4.120 0.002 0.000 0.277 364 V C 0.366 176.365 176.094 -0.158 0.000 1.399 364 V CA -0.166 61.987 62.300 -0.246 0.000 1.034 364 V CB -0.187 31.451 31.823 -0.310 0.000 0.824 364 V HN -0.085 nan 8.190 nan 0.000 0.439 365 F N 1.823 121.795 119.950 0.035 0.000 2.571 365 F HA 0.446 4.975 4.527 0.002 0.000 0.384 365 F C 0.890 176.723 175.800 0.056 0.000 1.058 365 F CA 0.150 58.143 58.000 -0.011 0.000 1.200 365 F CB -0.102 39.029 39.000 0.219 0.000 1.077 365 F HN 0.108 nan 8.300 nan 0.000 0.558 366 F N 0.705 120.756 119.950 0.169 0.000 3.006 366 F HA -0.299 4.229 4.527 0.002 0.000 0.289 366 F C 1.106 176.944 175.800 0.063 0.000 0.772 366 F CA 0.253 58.283 58.000 0.051 0.000 1.162 366 F CB -1.890 37.088 39.000 -0.037 0.000 1.382 366 F HN 0.508 nan 8.300 nan 0.000 0.406 367 A N 0.416 123.327 122.820 0.153 0.000 3.118 367 A HA 0.485 4.807 4.320 0.002 0.000 0.256 367 A C 1.513 179.028 177.584 -0.116 0.000 1.667 367 A CA 0.361 52.424 52.037 0.044 0.000 1.338 367 A CB -0.528 18.390 19.000 -0.138 0.000 1.127 367 A HN 0.509 nan 8.150 nan 0.000 0.634 368 S N 0.833 116.559 115.700 0.043 0.000 2.419 368 S HA -0.195 4.277 4.470 0.002 0.000 0.233 368 S C 1.722 176.332 174.600 0.016 0.000 1.016 368 S CA 1.017 59.239 58.200 0.037 0.000 0.974 368 S CB -0.731 62.328 63.200 -0.234 0.000 0.786 368 S HN 0.992 nan 8.310 nan 0.000 0.492 369 W N 2.445 123.715 121.300 -0.051 0.000 2.392 369 W HA -0.003 4.659 4.660 0.002 0.000 0.279 369 W C 1.669 178.172 176.519 -0.027 0.000 1.225 369 W CA 0.664 57.967 57.345 -0.070 0.000 1.233 369 W CB -0.826 28.585 29.460 -0.081 0.000 1.122 369 W HN 0.293 nan 8.180 nan 0.000 0.561 370 R N 0.872 120.860 120.500 -0.853 0.000 2.115 370 R HA -0.084 4.257 4.340 0.002 0.000 0.230 370 R C 2.367 178.492 176.300 -0.291 0.000 1.111 370 R CA 1.744 57.368 56.100 -0.793 0.000 0.976 370 R CB -0.528 29.244 30.300 -0.880 0.000 0.870 370 R HN 0.122 nan 8.270 nan 0.000 0.445 371 V N 0.293 120.131 119.914 -0.127 0.000 2.307 371 V HA -0.179 3.942 4.120 0.002 0.000 0.245 371 V C 2.304 178.404 176.094 0.012 0.000 1.045 371 V CA 1.458 63.752 62.300 -0.010 0.000 1.024 371 V CB -0.275 31.623 31.823 0.125 0.000 0.651 371 V HN 0.088 nan 8.190 nan 0.000 0.449 372 V N -0.366 119.571 119.914 0.039 0.000 2.379 372 V HA -0.130 3.991 4.120 0.002 0.000 0.245 372 V C 1.961 178.013 176.094 -0.071 0.000 1.044 372 V CA 1.870 64.127 62.300 -0.071 0.000 1.036 372 V CB -0.355 31.312 31.823 -0.259 0.000 0.664 372 V HN 0.445 nan 8.190 nan 0.000 0.453 373 L N -1.210 120.011 121.223 -0.003 0.000 2.731 373 L HA 0.271 4.613 4.340 0.002 0.000 0.240 373 L C 1.247 178.159 176.870 0.070 0.000 1.120 373 L CA 0.335 55.216 54.840 0.069 0.000 0.913 373 L CB 0.219 42.384 42.059 0.177 0.000 1.213 373 L HN 0.240 nan 8.230 nan 0.000 0.515 374 E N 0.499 120.698 120.200 -0.002 0.000 2.609 374 E HA 0.285 4.636 4.350 0.002 0.000 0.208 374 E C 0.769 177.343 176.600 -0.044 0.000 1.013 374 E CA 0.280 56.663 56.400 -0.028 0.000 1.093 374 E CB 0.783 30.414 29.700 -0.114 0.000 1.129 374 E HN 0.366 nan 8.360 nan 0.000 0.450 375 G N 0.435 109.220 108.800 -0.024 0.000 2.168 375 G HA2 -0.170 3.791 3.960 0.002 0.000 0.197 375 G HA3 -0.170 3.791 3.960 0.002 0.000 0.197 375 G C 0.670 175.549 174.900 -0.036 0.000 0.997 375 G CA -0.249 44.833 45.100 -0.029 0.000 0.658 375 G HN 0.747 nan 8.290 nan 0.000 0.513 376 G N -0.100 108.679 108.800 -0.035 0.000 2.601 376 G HA2 -0.076 3.885 3.960 0.002 0.000 0.252 376 G HA3 -0.076 3.885 3.960 0.002 0.000 0.252 376 G C 1.111 175.978 174.900 -0.054 0.000 1.294 376 G CA 1.052 46.130 45.100 -0.037 0.000 0.912 376 G HN 1.777 nan 8.290 nan 0.000 0.574 377 I N -2.521 118.015 120.570 -0.056 0.000 3.427 377 I HA 0.246 4.418 4.170 0.002 0.000 0.288 377 I C 1.630 177.715 176.117 -0.053 0.000 1.249 377 I CA 1.529 62.794 61.300 -0.058 0.000 1.421 377 I CB -0.156 37.806 38.000 -0.063 0.000 1.086 377 I HN 0.282 nan 8.210 nan 0.000 0.448 378 D N 2.853 123.219 120.400 -0.057 0.000 2.104 378 D HA -0.091 4.551 4.640 0.002 0.000 0.194 378 D C -0.367 175.874 176.300 -0.098 0.000 0.994 378 D CA 1.604 55.562 54.000 -0.070 0.000 0.830 378 D CB -1.662 39.095 40.800 -0.072 0.000 0.959 378 D HN 0.344 nan 8.370 nan 0.000 0.452 379 P HA -0.050 nan 4.420 nan 0.000 0.217 379 P C 1.550 178.803 177.300 -0.078 0.000 1.150 379 P CA 0.828 63.860 63.100 -0.113 0.000 0.832 379 P CB 0.060 31.705 31.700 -0.092 0.000 0.787 380 I N -1.609 118.930 120.570 -0.052 0.000 2.286 380 I HA -0.188 3.984 4.170 0.002 0.000 0.245 380 I C 2.238 178.361 176.117 0.009 0.000 1.104 380 I CA 1.206 62.496 61.300 -0.017 0.000 1.397 380 I CB -0.635 37.349 38.000 -0.026 0.000 1.072 380 I HN -0.120 nan 8.210 nan 0.000 0.417 381 L N 0.203 121.423 121.223 -0.006 0.000 2.083 381 L HA -0.168 4.173 4.340 0.002 0.000 0.209 381 L C 2.777 179.679 176.870 0.054 0.000 1.083 381 L CA 1.328 56.182 54.840 0.024 0.000 0.752 381 L CB -0.529 41.536 42.059 0.010 0.000 0.899 381 L HN 0.159 nan 8.230 nan 0.000 0.433 382 R N -0.206 120.280 120.500 -0.023 0.000 2.081 382 R HA -0.105 4.236 4.340 0.002 0.000 0.235 382 R C 2.365 178.704 176.300 0.066 0.000 1.131 382 R CA 1.254 57.317 56.100 -0.061 0.000 0.960 382 R CB -0.655 29.314 30.300 -0.551 0.000 0.856 382 R HN 0.431 nan 8.270 nan 0.000 0.436 383 G N 1.036 109.854 108.800 0.032 0.000 2.422 383 G HA2 -0.219 3.743 3.960 0.002 0.000 0.218 383 G HA3 -0.219 3.743 3.960 0.002 0.000 0.218 383 G C 1.432 176.407 174.900 0.126 0.000 1.146 383 G CA 0.388 45.549 45.100 0.101 0.000 0.769 383 G HN 0.138 nan 8.290 nan 0.000 0.547 384 L N -0.383 120.917 121.223 0.129 0.000 2.141 384 L HA 0.014 4.355 4.340 0.002 0.000 0.209 384 L C 3.018 179.980 176.870 0.154 0.000 1.094 384 L CA 0.876 55.795 54.840 0.132 0.000 0.763 384 L CB -0.241 41.888 42.059 0.118 0.000 0.908 384 L HN 0.246 nan 8.230 nan 0.000 0.437 385 M N -1.183 118.548 119.600 0.220 0.000 2.334 385 M HA -0.027 4.454 4.480 0.002 0.000 0.266 385 M C 1.902 178.459 176.300 0.429 0.000 1.082 385 M CA 1.327 56.802 55.300 0.292 0.000 1.141 385 M CB -0.098 32.741 32.600 0.399 0.000 1.380 385 M HN 0.229 nan 8.290 nan 0.000 0.440 386 A N -0.449 122.616 122.820 0.409 0.000 2.387 386 A HA 0.217 4.538 4.320 0.002 0.000 0.234 386 A C 0.356 177.994 177.584 0.090 0.000 1.253 386 A CA 0.045 52.260 52.037 0.297 0.000 0.894 386 A CB -0.084 19.034 19.000 0.197 0.000 0.963 386 A HN 0.249 nan 8.150 nan 0.000 0.508 387 T N 2.040 116.600 114.554 0.011 0.000 2.829 387 T HA 0.527 4.878 4.350 0.002 0.000 0.280 387 T C -2.928 171.710 174.700 -0.104 0.000 0.999 387 T CA -1.118 60.870 62.100 -0.187 0.000 0.983 387 T CB 1.748 70.311 68.868 -0.509 0.000 0.968 387 T HN -0.005 nan 8.240 nan 0.000 0.446 388 P HA 0.395 nan 4.420 nan 0.000 0.271 388 P C -0.608 176.684 177.300 -0.014 0.000 1.218 388 P CA -0.419 62.664 63.100 -0.028 0.000 0.780 388 P CB 0.377 32.065 31.700 -0.021 0.000 0.901 389 A N 2.571 125.413 122.820 0.037 0.000 2.327 389 A HA 0.215 4.536 4.320 0.002 0.000 0.255 389 A C 0.379 177.995 177.584 0.055 0.000 1.099 389 A CA -0.270 51.802 52.037 0.058 0.000 0.801 389 A CB -0.032 19.012 19.000 0.075 0.000 1.062 389 A HN 0.556 nan 8.150 nan 0.000 0.496 390 K N 0.269 120.710 120.400 0.068 0.000 2.218 390 K HA 0.374 4.695 4.320 0.002 0.000 0.276 390 K C -0.877 175.756 176.600 0.055 0.000 1.022 390 K CA -0.474 55.853 56.287 0.067 0.000 0.946 390 K CB 0.469 33.015 32.500 0.077 0.000 1.000 390 K HN 0.502 nan 8.250 nan 0.000 0.468 391 L N 3.914 125.166 121.223 0.049 0.000 2.326 391 L HA 0.222 4.564 4.340 0.002 0.000 0.278 391 L C -0.465 176.428 176.870 0.039 0.000 1.092 391 L CA -0.088 54.777 54.840 0.042 0.000 0.810 391 L CB 0.839 42.919 42.059 0.034 0.000 1.153 391 L HN 0.688 nan 8.230 nan 0.000 0.439 392 N N 4.829 123.550 118.700 0.036 0.000 2.420 392 N HA 0.250 4.991 4.740 0.002 0.000 0.262 392 N C -0.910 174.607 175.510 0.012 0.000 1.144 392 N CA 0.161 53.226 53.050 0.025 0.000 0.952 392 N CB 0.301 38.801 38.487 0.022 0.000 1.081 392 N HN 0.584 nan 8.380 nan 0.000 0.480 393 R N 2.424 122.930 120.500 0.011 0.000 2.854 393 R HA 0.219 4.560 4.340 0.002 0.000 0.271 393 R C 0.799 177.096 176.300 -0.005 0.000 0.996 393 R CA -0.700 55.403 56.100 0.004 0.000 0.961 393 R CB 1.300 31.607 30.300 0.012 0.000 1.182 393 R HN 0.600 nan 8.270 nan 0.000 0.479 394 Q N 0.749 120.543 119.800 -0.010 0.000 2.291 394 Q HA -0.137 4.205 4.340 0.002 0.000 0.205 394 Q C 0.629 176.624 176.000 -0.008 0.000 0.970 394 Q CA 1.348 57.140 55.803 -0.019 0.000 0.876 394 Q CB 0.072 28.799 28.738 -0.020 0.000 0.935 394 Q HN 0.457 nan 8.270 nan 0.000 0.455 395 N N -1.000 117.701 118.700 0.002 0.000 2.235 395 N HA 0.010 4.751 4.740 0.002 0.000 0.231 395 N C -0.525 174.996 175.510 0.018 0.000 1.177 395 N CA -0.012 53.044 53.050 0.010 0.000 0.874 395 N CB 0.604 39.097 38.487 0.009 0.000 1.097 395 N HN 0.069 nan 8.380 nan 0.000 0.518 396 Q N 0.481 120.292 119.800 0.020 0.000 2.805 396 Q HA 0.404 4.745 4.340 0.002 0.000 0.360 396 Q C 0.410 176.432 176.000 0.036 0.000 0.832 396 Q CA -0.134 55.687 55.803 0.030 0.000 1.020 396 Q CB 0.700 29.456 28.738 0.030 0.000 1.444 396 Q HN 0.192 nan 8.270 nan 0.000 0.391 397 I N 0.143 120.738 120.570 0.042 0.000 2.162 397 I HA 0.007 4.178 4.170 0.002 0.000 0.238 397 I C 0.903 177.086 176.117 0.109 0.000 1.076 397 I CA 0.752 62.084 61.300 0.054 0.000 1.353 397 I CB 0.265 38.292 38.000 0.045 0.000 1.063 397 I HN 0.262 nan 8.210 nan 0.000 0.408 398 A N 0.159 123.056 122.820 0.128 0.000 2.520 398 A HA 0.580 4.902 4.320 0.002 0.000 0.298 398 A C -0.620 177.004 177.584 0.065 0.000 1.051 398 A CA -0.617 51.496 52.037 0.127 0.000 0.690 398 A CB 1.165 20.287 19.000 0.203 0.000 1.281 398 A HN 0.040 nan 8.150 nan 0.000 0.402 399 V N -0.078 119.858 119.914 0.037 0.000 2.924 399 V HA 0.331 4.453 4.120 0.002 0.000 0.305 399 V C 0.545 176.628 176.094 -0.019 0.000 1.073 399 V CA 0.194 62.497 62.300 0.005 0.000 1.098 399 V CB 0.760 32.574 31.823 -0.014 0.000 1.000 399 V HN 0.776 nan 8.190 nan 0.000 0.484 400 D N 0.999 121.383 120.400 -0.028 0.000 2.310 400 D HA -0.061 4.581 4.640 0.002 0.000 0.212 400 D C 1.920 178.192 176.300 -0.046 0.000 0.965 400 D CA 0.865 54.844 54.000 -0.035 0.000 0.879 400 D CB 0.102 40.885 40.800 -0.027 0.000 0.921 400 D HN 0.735 nan 8.370 nan 0.000 0.510 401 E N 0.256 120.418 120.200 -0.064 0.000 2.160 401 E HA -0.130 4.221 4.350 0.002 0.000 0.195 401 E C 2.221 178.843 176.600 0.037 0.000 0.991 401 E CA 0.615 56.987 56.400 -0.046 0.000 0.810 401 E CB -0.007 29.614 29.700 -0.131 0.000 0.742 401 E HN 0.574 nan 8.360 nan 0.000 0.466 402 I N -3.301 117.254 120.570 -0.025 0.000 3.708 402 I HA 0.192 4.363 4.170 0.002 0.000 0.302 402 I C 2.281 178.291 176.117 -0.178 0.000 1.255 402 I CA 0.051 61.276 61.300 -0.125 0.000 1.362 402 I CB 0.081 37.973 38.000 -0.180 0.000 1.100 402 I HN -0.169 nan 8.210 nan 0.000 0.434 403 R N 0.935 121.370 120.500 -0.107 0.000 2.210 403 R HA 0.076 4.417 4.340 0.002 0.000 0.203 403 R C 1.522 177.771 176.300 -0.085 0.000 1.010 403 R CA 0.801 56.842 56.100 -0.098 0.000 1.008 403 R CB 0.378 30.649 30.300 -0.048 0.000 0.923 403 R HN 0.384 nan 8.270 nan 0.000 0.469 404 E N -0.779 119.381 120.200 -0.067 0.000 2.414 404 E HA 0.098 4.450 4.350 0.002 0.000 0.208 404 E C 0.624 177.200 176.600 -0.039 0.000 0.820 404 E CA 0.271 56.642 56.400 -0.048 0.000 1.143 404 E CB 0.796 30.478 29.700 -0.030 0.000 1.150 404 E HN 0.133 nan 8.360 nan 0.000 0.540 405 R N 0.842 121.325 120.500 -0.028 0.000 2.662 405 R HA 0.249 4.591 4.340 0.002 0.000 0.396 405 R C -0.034 176.293 176.300 0.046 0.000 1.096 405 R CA -0.328 55.786 56.100 0.022 0.000 1.081 405 R CB 0.526 30.856 30.300 0.049 0.000 1.382 405 R HN -0.094 nan 8.270 nan 0.000 0.580 406 L N 1.373 122.509 121.223 -0.144 0.000 2.534 406 L HA 0.061 4.402 4.340 0.002 0.000 0.271 406 L C 0.144 176.807 176.870 -0.344 0.000 1.178 406 L CA 1.045 55.579 54.840 -0.510 0.000 0.907 406 L CB -0.491 41.082 42.059 -0.810 0.000 1.164 406 L HN 0.429 nan 8.230 nan 0.000 0.482 407 F N 2.281 122.108 119.950 -0.204 0.000 3.093 407 F HA -0.348 4.181 4.527 0.002 0.000 0.287 407 F C 1.636 177.503 175.800 0.112 0.000 0.882 407 F CA 0.853 58.881 58.000 0.046 0.000 1.063 407 F CB -1.205 37.811 39.000 0.028 0.000 1.097 407 F HN 0.751 nan 8.300 nan 0.000 0.604 408 E N 0.872 121.246 120.200 0.291 0.000 2.118 408 E HA -0.249 4.103 4.350 0.002 0.000 0.195 408 E C 1.883 178.585 176.600 0.170 0.000 0.992 408 E CA 1.827 58.337 56.400 0.183 0.000 0.804 408 E CB -0.010 29.779 29.700 0.148 0.000 0.741 408 E HN 0.701 nan 8.360 nan 0.000 0.458 409 Q N -0.330 119.598 119.800 0.214 0.000 2.297 409 Q HA -0.069 4.273 4.340 0.002 0.000 0.204 409 Q C 1.919 177.990 176.000 0.117 0.000 0.962 409 Q CA 1.267 57.164 55.803 0.156 0.000 0.879 409 Q CB 0.548 29.395 28.738 0.182 0.000 0.947 409 Q HN 0.351 nan 8.270 nan 0.000 0.462 410 V N -2.523 117.472 119.914 0.135 0.000 3.376 410 V HA 0.329 4.450 4.120 0.002 0.000 0.313 410 V C 0.129 176.229 176.094 0.011 0.000 1.393 410 V CA -0.211 62.106 62.300 0.029 0.000 1.125 410 V CB -0.545 31.232 31.823 -0.078 0.000 1.037 410 V HN 0.179 nan 8.190 nan 0.000 0.440 411 M N -0.787 118.850 119.600 0.062 0.000 3.084 411 M HA 0.504 4.985 4.480 0.002 0.000 0.273 411 M C 0.754 177.086 176.300 0.052 0.000 1.242 411 M CA -0.631 54.700 55.300 0.052 0.000 0.819 411 M CB 1.353 34.001 32.600 0.079 0.000 1.625 411 M HN -0.034 nan 8.290 nan 0.000 0.493 412 R N 0.620 121.145 120.500 0.041 0.000 2.148 412 R HA 0.327 4.668 4.340 0.002 0.000 0.227 412 R C 0.284 176.602 176.300 0.030 0.000 1.103 412 R CA 1.195 57.312 56.100 0.029 0.000 0.983 412 R CB 0.123 30.435 30.300 0.020 0.000 0.874 412 R HN 0.702 nan 8.270 nan 0.000 0.451 413 I N -0.001 120.591 120.570 0.038 0.000 2.827 413 I HA 0.397 4.568 4.170 0.002 0.000 0.298 413 I C -0.790 175.349 176.117 0.037 0.000 1.235 413 I CA -1.210 60.108 61.300 0.029 0.000 1.021 413 I CB 2.236 40.243 38.000 0.012 0.000 1.259 413 I HN 0.201 nan 8.210 nan 0.000 0.427 414 G N 6.312 115.127 108.800 0.025 0.000 2.406 414 G HA2 0.426 4.388 3.960 0.002 0.000 0.251 414 G HA3 0.426 4.388 3.960 0.002 0.000 0.251 414 G C -0.446 174.435 174.900 -0.031 0.000 1.271 414 G CA -0.390 44.716 45.100 0.011 0.000 0.859 414 G HN 0.525 nan 8.290 nan 0.000 0.540 415 L N 1.114 122.287 121.223 -0.082 0.000 2.454 415 L HA 0.405 4.747 4.340 0.002 0.000 0.256 415 L C -0.058 176.710 176.870 -0.171 0.000 1.136 415 L CA -0.920 53.845 54.840 -0.125 0.000 0.804 415 L CB 1.175 43.128 42.059 -0.177 0.000 1.181 415 L HN 0.369 nan 8.230 nan 0.000 0.469 416 D N 0.787 121.090 120.400 -0.162 0.000 2.461 416 D HA 0.161 4.802 4.640 0.002 0.000 0.240 416 D C 0.350 176.513 176.300 -0.229 0.000 1.094 416 D CA -0.510 53.388 54.000 -0.171 0.000 0.868 416 D CB 1.632 42.362 40.800 -0.117 0.000 1.062 416 D HN 0.289 nan 8.370 nan 0.000 0.530 417 L N 6.667 127.699 121.223 -0.319 0.000 1.994 417 L HA 0.076 4.417 4.340 0.002 0.000 0.208 417 L C -1.038 175.584 176.870 -0.413 0.000 1.071 417 L CA 1.906 56.498 54.840 -0.413 0.000 0.745 417 L CB -1.268 40.442 42.059 -0.582 0.000 0.892 417 L HN 0.336 nan 8.230 nan 0.000 0.431 418 P HA -0.183 nan 4.420 nan 0.000 0.216 418 P C 1.571 178.657 177.300 -0.356 0.000 1.153 418 P CA 2.184 64.942 63.100 -0.570 0.000 0.858 418 P CB -0.182 31.402 31.700 -0.192 0.000 0.789 419 A N -0.746 121.960 122.820 -0.190 0.000 1.877 419 A HA -0.178 4.144 4.320 0.002 0.000 0.216 419 A C 2.208 179.720 177.584 -0.120 0.000 1.186 419 A CA 1.495 53.459 52.037 -0.121 0.000 0.620 419 A CB -1.693 17.246 19.000 -0.102 0.000 0.822 419 A HN 0.104 nan 8.150 nan 0.000 0.443 420 L N -0.291 120.861 121.223 -0.119 0.000 2.079 420 L HA -0.265 4.076 4.340 0.002 0.000 0.210 420 L C 2.342 179.203 176.870 -0.015 0.000 1.081 420 L CA 1.788 56.627 54.840 -0.001 0.000 0.752 420 L CB -0.806 41.236 42.059 -0.027 0.000 0.896 420 L HN 0.524 nan 8.230 nan 0.000 0.433 421 N N -0.250 118.331 118.700 -0.198 0.000 2.069 421 N HA -0.212 4.529 4.740 0.002 0.000 0.191 421 N C 1.932 177.395 175.510 -0.080 0.000 1.031 421 N CA 1.368 54.269 53.050 -0.248 0.000 0.852 421 N CB -0.157 37.902 38.487 -0.713 0.000 1.018 421 N HN 0.334 nan 8.380 nan 0.000 0.423 422 M N 0.131 119.707 119.600 -0.040 0.000 2.200 422 M HA -0.132 4.349 4.480 0.002 0.000 0.265 422 M C 2.291 178.617 176.300 0.043 0.000 1.066 422 M CA 1.200 56.543 55.300 0.072 0.000 1.127 422 M CB -0.120 32.553 32.600 0.122 0.000 1.379 422 M HN 0.083 nan 8.290 nan 0.000 0.420 423 Q N 0.662 120.437 119.800 -0.042 0.000 2.124 423 Q HA -0.177 4.164 4.340 0.002 0.000 0.202 423 Q C 1.976 177.995 176.000 0.033 0.000 0.977 423 Q CA 1.675 57.366 55.803 -0.187 0.000 0.850 423 Q CB -0.075 28.308 28.738 -0.591 0.000 0.901 423 Q HN 0.181 nan 8.270 nan 0.000 0.429 424 R N -0.182 120.455 120.500 0.229 0.000 2.075 424 R HA -0.073 4.269 4.340 0.002 0.000 0.232 424 R C 2.200 178.548 176.300 0.081 0.000 1.126 424 R CA 1.868 58.136 56.100 0.279 0.000 0.963 424 R CB -0.661 29.684 30.300 0.075 0.000 0.858 424 R HN 0.433 nan 8.270 nan 0.000 0.435 425 S N -0.128 115.609 115.700 0.062 0.000 2.399 425 S HA -0.148 4.324 4.470 0.002 0.000 0.231 425 S C 1.921 176.634 174.600 0.189 0.000 1.022 425 S CA 1.052 59.313 58.200 0.102 0.000 0.983 425 S CB -0.308 62.965 63.200 0.122 0.000 0.803 425 S HN 0.372 nan 8.310 nan 0.000 0.480 426 R N 1.140 121.758 120.500 0.198 0.000 2.075 426 R HA 0.028 4.369 4.340 0.002 0.000 0.226 426 R C 2.187 178.627 176.300 0.233 0.000 1.114 426 R CA 1.253 57.483 56.100 0.217 0.000 0.972 426 R CB -0.551 29.894 30.300 0.241 0.000 0.869 426 R HN 0.472 nan 8.270 nan 0.000 0.437 427 D N 0.538 121.132 120.400 0.323 0.000 2.123 427 D HA -0.186 4.455 4.640 0.002 0.000 0.196 427 D C 1.295 177.804 176.300 0.348 0.000 0.992 427 D CA 1.389 55.604 54.000 0.357 0.000 0.833 427 D CB -0.065 41.129 40.800 0.657 0.000 0.954 427 D HN 0.399 nan 8.370 nan 0.000 0.455 428 H N -1.379 117.792 119.070 0.169 0.000 2.543 428 H HA 0.221 4.779 4.556 0.003 0.000 0.269 428 H C 1.125 176.521 175.328 0.114 0.000 1.005 428 H CA 0.103 56.230 56.048 0.131 0.000 1.146 428 H CB 0.228 30.069 29.762 0.132 0.000 1.353 428 H HN 0.295 nan 8.280 nan 0.000 0.595 429 G N 1.648 110.574 108.800 0.210 0.000 2.249 429 G HA2 -0.295 3.666 3.960 0.002 0.000 0.273 429 G HA3 -0.295 3.666 3.960 0.002 0.000 0.273 429 G C 0.139 175.145 174.900 0.176 0.000 1.036 429 G CA -0.004 45.184 45.100 0.147 0.000 0.824 429 G HN 0.288 nan 8.290 nan 0.000 0.504 430 L N 0.281 121.644 121.223 0.234 0.000 2.367 430 L HA 0.325 4.667 4.340 0.002 0.000 0.275 430 L C -1.217 175.832 176.870 0.297 0.000 1.129 430 L CA -1.895 53.134 54.840 0.316 0.000 0.839 430 L CB 0.489 42.745 42.059 0.329 0.000 1.133 430 L HN -0.033 nan 8.230 nan 0.000 0.453 431 P HA 0.046 nan 4.420 nan 0.000 0.269 431 P C 0.166 177.585 177.300 0.198 0.000 1.217 431 P CA -0.195 62.935 63.100 0.050 0.000 0.783 431 P CB 0.508 31.983 31.700 -0.375 0.000 0.898 432 G N -0.337 108.518 108.800 0.091 0.000 2.588 432 G HA2 -0.015 3.946 3.960 0.002 0.000 0.278 432 G HA3 -0.015 3.946 3.960 0.002 0.000 0.278 432 G C 0.349 175.387 174.900 0.231 0.000 1.307 432 G CA -0.203 44.988 45.100 0.152 0.000 1.016 432 G HN 0.510 nan 8.290 nan 0.000 0.503 433 Y N 0.252 120.601 120.300 0.081 0.000 2.081 433 Y HA -0.236 4.316 4.550 0.003 0.000 0.280 433 Y C 2.675 178.636 175.900 0.103 0.000 1.163 433 Y CA 2.612 60.777 58.100 0.108 0.000 1.135 433 Y CB -0.124 38.333 38.460 -0.005 0.000 0.970 433 Y HN 0.410 nan 8.280 nan 0.000 0.498 434 N N 0.376 119.086 118.700 0.016 0.000 2.223 434 N HA -0.140 4.601 4.740 0.002 0.000 0.185 434 N C 1.943 177.380 175.510 -0.121 0.000 1.016 434 N CA 1.315 54.303 53.050 -0.102 0.000 0.863 434 N CB -0.717 37.776 38.487 0.009 0.000 0.983 434 N HN 0.557 nan 8.380 nan 0.000 0.429 435 A N -0.164 122.571 122.820 -0.142 0.000 1.902 435 A HA -0.124 4.198 4.320 0.002 0.000 0.217 435 A C 2.058 179.435 177.584 -0.346 0.000 1.181 435 A CA 1.095 52.965 52.037 -0.279 0.000 0.623 435 A CB -1.047 17.708 19.000 -0.409 0.000 0.818 435 A HN 0.432 nan 8.150 nan 0.000 0.443 436 W N -0.384 120.903 121.300 -0.022 0.000 2.418 436 W HA -0.041 4.620 4.660 0.002 0.000 0.292 436 W C 2.566 179.092 176.519 0.013 0.000 1.213 436 W CA 0.666 58.025 57.345 0.022 0.000 1.283 436 W CB -0.036 29.415 29.460 -0.015 0.000 1.119 436 W HN 0.164 nan 8.180 nan 0.000 0.542 437 R N 0.390 120.888 120.500 -0.003 0.000 2.073 437 R HA -0.128 4.213 4.340 0.002 0.000 0.234 437 R C 2.031 178.327 176.300 -0.006 0.000 1.134 437 R CA 1.423 57.467 56.100 -0.092 0.000 0.952 437 R CB -0.986 29.129 30.300 -0.309 0.000 0.850 437 R HN 0.278 nan 8.270 nan 0.000 0.433 438 R N 0.077 120.566 120.500 -0.018 0.000 2.073 438 R HA -0.166 4.175 4.340 0.002 0.000 0.234 438 R C 2.255 178.575 176.300 0.033 0.000 1.134 438 R CA 1.600 57.694 56.100 -0.010 0.000 0.952 438 R CB -0.465 29.814 30.300 -0.035 0.000 0.850 438 R HN 0.143 nan 8.270 nan 0.000 0.433 439 F N 0.711 120.626 119.950 -0.058 0.000 2.120 439 F HA -0.266 4.262 4.527 0.002 0.000 0.300 439 F C 1.823 177.665 175.800 0.069 0.000 1.095 439 F CA 1.539 59.539 58.000 -0.001 0.000 1.249 439 F CB -0.458 38.562 39.000 0.033 0.000 0.995 439 F HN 0.067 nan 8.300 nan 0.000 0.480 440 c N 0.988 119.580 118.600 -0.013 0.000 2.576 440 c HA 0.349 4.921 4.570 0.002 0.000 0.267 440 c C 1.887 175.943 174.090 -0.056 0.000 1.364 440 c CA 0.698 56.982 56.329 -0.075 0.000 1.723 440 c CB -1.514 41.057 42.510 0.102 0.000 1.778 440 c HN 0.923 nan 8.230 nan 0.000 0.572 441 G N 0.763 109.525 108.800 -0.064 0.000 2.160 441 G HA2 -0.242 3.720 3.960 0.002 0.000 0.251 441 G HA3 -0.242 3.720 3.960 0.002 0.000 0.251 441 G C -0.122 174.767 174.900 -0.017 0.000 1.008 441 G CA -0.027 45.046 45.100 -0.044 0.000 0.724 441 G HN 0.542 nan 8.290 nan 0.000 0.514 442 L N 0.197 121.414 121.223 -0.010 0.000 2.322 442 L HA 0.483 4.824 4.340 0.002 0.000 0.279 442 L C -1.863 174.994 176.870 -0.021 0.000 1.036 442 L CA -2.510 52.325 54.840 -0.008 0.000 0.807 442 L CB 1.508 43.562 42.059 -0.007 0.000 1.226 442 L HN -0.155 nan 8.230 nan 0.000 0.433 443 P HA 0.024 nan 4.420 nan 0.000 0.266 443 P C -1.378 175.917 177.300 -0.009 0.000 1.195 443 P CA -0.095 63.003 63.100 -0.003 0.000 0.768 443 P CB 0.389 32.096 31.700 0.011 0.000 0.838 444 Q N 4.073 123.871 119.800 -0.004 0.000 2.431 444 Q HA 0.315 4.657 4.340 0.002 0.000 0.249 444 Q C -2.139 173.888 176.000 0.045 0.000 1.025 444 Q CA -1.870 53.935 55.803 0.003 0.000 0.835 444 Q CB 0.584 29.314 28.738 -0.014 0.000 1.207 444 Q HN 0.357 nan 8.270 nan 0.000 0.490 445 P HA -0.011 nan 4.420 nan 0.000 0.271 445 P C -0.386 176.964 177.300 0.082 0.000 1.220 445 P CA 0.028 63.181 63.100 0.089 0.000 0.768 445 P CB 1.419 33.190 31.700 0.118 0.000 0.848 446 E N 0.791 121.025 120.200 0.057 0.000 2.372 446 E HA 0.044 4.395 4.350 0.002 0.000 0.201 446 E C 0.985 177.612 176.600 0.045 0.000 0.938 446 E CA 0.843 57.273 56.400 0.049 0.000 0.944 446 E CB -0.056 29.665 29.700 0.035 0.000 0.937 446 E HN 0.583 nan 8.360 nan 0.000 0.495 447 T N -1.973 112.606 114.554 0.041 0.000 2.948 447 T HA 0.331 4.682 4.350 0.002 0.000 0.285 447 T C 1.243 175.964 174.700 0.036 0.000 1.019 447 T CA -0.518 61.603 62.100 0.035 0.000 1.013 447 T CB 2.040 70.925 68.868 0.028 0.000 1.117 447 T HN -0.186 nan 8.240 nan 0.000 0.533 448 V N 1.513 121.445 119.914 0.030 0.000 2.490 448 V HA 0.078 4.199 4.120 0.002 0.000 0.250 448 V C 2.327 178.435 176.094 0.023 0.000 1.061 448 V CA 2.647 64.963 62.300 0.027 0.000 1.064 448 V CB -1.195 30.643 31.823 0.024 0.000 0.670 448 V HN 1.099 nan 8.190 nan 0.000 0.461 449 G N -1.541 107.273 108.800 0.023 0.000 2.403 449 G HA2 -0.218 3.744 3.960 0.002 0.000 0.216 449 G HA3 -0.218 3.744 3.960 0.002 0.000 0.216 449 G C 1.426 176.341 174.900 0.025 0.000 1.154 449 G CA 0.755 45.867 45.100 0.021 0.000 0.784 449 G HN 0.566 nan 8.290 nan 0.000 0.538 450 Q N -0.664 119.154 119.800 0.030 0.000 2.079 450 Q HA -0.014 4.327 4.340 0.002 0.000 0.200 450 Q C 2.475 178.503 176.000 0.047 0.000 0.974 450 Q CA 0.938 56.763 55.803 0.037 0.000 0.840 450 Q CB -0.242 28.520 28.738 0.041 0.000 0.898 450 Q HN 0.406 nan 8.270 nan 0.000 0.430 451 L N 0.577 121.828 121.223 0.047 0.000 2.083 451 L HA -0.058 4.284 4.340 0.002 0.000 0.209 451 L C 2.066 178.951 176.870 0.026 0.000 1.083 451 L CA 2.091 56.958 54.840 0.045 0.000 0.752 451 L CB -0.918 41.155 42.059 0.023 0.000 0.899 451 L HN 0.173 nan 8.230 nan 0.000 0.433 452 G N -1.968 106.844 108.800 0.020 0.000 2.418 452 G HA2 -0.251 3.710 3.960 0.002 0.000 0.217 452 G HA3 -0.251 3.710 3.960 0.002 0.000 0.217 452 G C 1.449 176.360 174.900 0.018 0.000 1.158 452 G CA 1.191 46.299 45.100 0.014 0.000 0.771 452 G HN 0.425 nan 8.290 nan 0.000 0.545 453 T N 0.723 115.292 114.554 0.024 0.000 2.737 453 T HA -0.087 4.264 4.350 0.002 0.000 0.265 453 T C 2.559 177.278 174.700 0.032 0.000 1.038 453 T CA 1.142 63.257 62.100 0.025 0.000 1.144 453 T CB -0.271 68.612 68.868 0.026 0.000 0.866 453 T HN 0.049 nan 8.240 nan 0.000 0.434 454 V N 1.632 121.574 119.914 0.047 0.000 2.332 454 V HA -0.106 4.015 4.120 0.002 0.000 0.248 454 V C 2.312 178.439 176.094 0.054 0.000 1.055 454 V CA 1.545 63.884 62.300 0.066 0.000 1.038 454 V CB -0.576 31.316 31.823 0.115 0.000 0.651 454 V HN 0.466 nan 8.190 nan 0.000 0.450 455 L N -0.998 120.246 121.223 0.034 0.000 2.554 455 L HA 0.143 4.484 4.340 0.002 0.000 0.226 455 L C 1.147 178.022 176.870 0.008 0.000 1.137 455 L CA 0.212 55.059 54.840 0.012 0.000 0.863 455 L CB -0.351 41.699 42.059 -0.015 0.000 0.985 455 L HN 0.295 nan 8.230 nan 0.000 0.451 456 R N 1.304 121.812 120.500 0.013 0.000 3.416 456 R HA -0.201 4.141 4.340 0.002 0.000 0.263 456 R C -0.269 176.034 176.300 0.005 0.000 1.053 456 R CA 0.447 56.553 56.100 0.010 0.000 0.705 456 R CB -1.928 28.377 30.300 0.009 0.000 1.124 456 R HN 0.382 nan 8.270 nan 0.000 0.444 457 N N 0.152 118.854 118.700 0.004 0.000 3.049 457 N HA 0.013 4.755 4.740 0.002 0.000 0.241 457 N C -0.004 175.506 175.510 0.001 0.000 1.323 457 N CA -0.315 52.735 53.050 0.000 0.000 0.824 457 N CB 0.961 39.445 38.487 -0.005 0.000 1.557 457 N HN 0.073 nan 8.380 nan 0.000 0.612 458 L N 4.050 125.275 121.223 0.004 0.000 2.156 458 L HA 0.177 4.519 4.340 0.002 0.000 0.208 458 L C 2.150 179.022 176.870 0.004 0.000 1.095 458 L CA 1.881 56.724 54.840 0.005 0.000 0.770 458 L CB -0.218 41.845 42.059 0.007 0.000 0.914 458 L HN 0.574 nan 8.230 nan 0.000 0.439 459 K N -0.831 119.571 120.400 0.003 0.000 2.026 459 K HA -0.220 4.102 4.320 0.002 0.000 0.208 459 K C 2.107 178.708 176.600 0.001 0.000 1.048 459 K CA 1.875 58.164 56.287 0.003 0.000 0.929 459 K CB -0.304 32.198 32.500 0.003 0.000 0.713 459 K HN 0.323 nan 8.250 nan 0.000 0.439 460 L N 0.901 122.123 121.223 -0.003 0.000 2.056 460 L HA -0.030 4.311 4.340 0.002 0.000 0.207 460 L C 2.159 179.025 176.870 -0.007 0.000 1.078 460 L CA 2.001 56.837 54.840 -0.007 0.000 0.749 460 L CB -0.795 41.253 42.059 -0.018 0.000 0.901 460 L HN 0.213 nan 8.230 nan 0.000 0.433 461 A N -0.246 122.569 122.820 -0.009 0.000 1.908 461 A HA -0.255 4.066 4.320 0.002 0.000 0.218 461 A C 2.444 180.034 177.584 0.010 0.000 1.181 461 A CA 2.011 54.044 52.037 -0.006 0.000 0.627 461 A CB -0.576 18.423 19.000 -0.001 0.000 0.818 461 A HN 0.521 nan 8.150 nan 0.000 0.445 462 R N -0.449 120.057 120.500 0.010 0.000 2.092 462 R HA -0.092 4.250 4.340 0.002 0.000 0.231 462 R C 2.232 178.540 176.300 0.014 0.000 1.119 462 R CA 1.592 57.700 56.100 0.013 0.000 0.970 462 R CB -0.250 30.056 30.300 0.009 0.000 0.864 462 R HN 0.527 nan 8.270 nan 0.000 0.440 463 K N 0.564 120.970 120.400 0.011 0.000 2.057 463 K HA -0.125 4.196 4.320 0.002 0.000 0.207 463 K C 2.101 178.715 176.600 0.023 0.000 1.049 463 K CA 1.226 57.518 56.287 0.009 0.000 0.931 463 K CB -0.155 32.349 32.500 0.007 0.000 0.714 463 K HN 0.126 nan 8.250 nan 0.000 0.440 464 L N 0.368 121.623 121.223 0.053 0.000 2.046 464 L HA -0.181 4.160 4.340 0.002 0.000 0.208 464 L C 2.543 179.514 176.870 0.168 0.000 1.077 464 L CA 0.870 55.795 54.840 0.142 0.000 0.747 464 L CB -0.309 41.802 42.059 0.086 0.000 0.896 464 L HN 0.241 nan 8.230 nan 0.000 0.432 465 M N -0.655 118.999 119.600 0.090 0.000 2.175 465 M HA -0.207 4.274 4.480 0.002 0.000 0.264 465 M C 2.180 178.512 176.300 0.054 0.000 1.063 465 M CA 1.472 56.822 55.300 0.083 0.000 1.119 465 M CB -0.994 31.637 32.600 0.052 0.000 1.377 465 M HN 0.330 nan 8.290 nan 0.000 0.415 466 E N -0.086 120.127 120.200 0.021 0.000 2.110 466 E HA -0.219 4.133 4.350 0.002 0.000 0.193 466 E C 1.938 178.508 176.600 -0.049 0.000 0.988 466 E CA 1.044 57.439 56.400 -0.009 0.000 0.804 466 E CB 0.266 29.956 29.700 -0.017 0.000 0.745 466 E HN 0.422 nan 8.360 nan 0.000 0.458 467 Q N -0.614 119.127 119.800 -0.098 0.000 2.020 467 Q HA -0.126 4.216 4.340 0.002 0.000 0.198 467 Q C 1.793 177.609 176.000 -0.307 0.000 0.974 467 Q CA 1.458 57.090 55.803 -0.285 0.000 0.829 467 Q CB -0.288 28.139 28.738 -0.519 0.000 0.894 467 Q HN 0.482 nan 8.270 nan 0.000 0.433 468 Y N -1.304 119.002 120.300 0.010 0.000 2.509 468 Y HA 0.247 4.799 4.550 0.003 0.000 0.270 468 Y C 1.784 177.696 175.900 0.021 0.000 1.103 468 Y CA 0.617 58.728 58.100 0.019 0.000 1.278 468 Y CB 0.396 38.869 38.460 0.023 0.000 1.087 468 Y HN 0.301 nan 8.280 nan 0.000 0.542 469 G N -0.351 108.543 108.800 0.156 0.000 2.363 469 G HA2 -0.291 3.670 3.960 0.002 0.000 0.238 469 G HA3 -0.291 3.670 3.960 0.002 0.000 0.238 469 G C 0.484 175.442 174.900 0.096 0.000 1.062 469 G CA 0.610 45.769 45.100 0.098 0.000 0.629 469 G HN 0.503 nan 8.290 nan 0.000 0.514 470 T N -0.377 114.251 114.554 0.122 0.000 3.012 470 T HA 0.603 4.954 4.350 0.002 0.000 0.330 470 T C -2.378 172.369 174.700 0.079 0.000 1.321 470 T CA -0.153 62.000 62.100 0.088 0.000 1.067 470 T CB 2.044 70.955 68.868 0.072 0.000 1.235 470 T HN -0.090 nan 8.240 nan 0.000 0.479 471 P HA 0.037 nan 4.420 nan 0.000 0.225 471 P C 1.240 178.608 177.300 0.113 0.000 1.148 471 P CA 0.508 63.650 63.100 0.070 0.000 0.779 471 P CB 0.153 31.935 31.700 0.136 0.000 0.780 472 N N -0.390 118.358 118.700 0.081 0.000 2.289 472 N HA -0.094 4.648 4.740 0.002 0.000 0.184 472 N C 1.034 176.569 175.510 0.042 0.000 1.016 472 N CA 1.064 54.152 53.050 0.064 0.000 0.872 472 N CB -0.624 37.889 38.487 0.044 0.000 0.973 472 N HN 0.166 nan 8.380 nan 0.000 0.433 473 N N 0.273 118.982 118.700 0.014 0.000 2.280 473 N HA 0.180 4.922 4.740 0.002 0.000 0.192 473 N C 0.056 175.400 175.510 -0.277 0.000 1.109 473 N CA -0.096 52.950 53.050 -0.006 0.000 0.855 473 N CB 0.534 39.093 38.487 0.121 0.000 0.974 473 N HN 0.237 nan 8.380 nan 0.000 0.482 474 I N 1.981 122.240 120.570 -0.519 0.000 2.741 474 I HA -0.093 4.078 4.170 0.002 0.000 0.288 474 I C 0.201 176.074 176.117 -0.408 0.000 1.192 474 I CA 0.224 60.889 61.300 -1.058 0.000 1.426 474 I CB 0.238 37.838 38.000 -0.666 0.000 1.367 474 I HN -0.074 nan 8.210 nan 0.000 0.563 475 D N 5.770 125.980 120.400 -0.317 0.000 2.443 475 D HA -0.055 4.587 4.640 0.002 0.000 0.239 475 D C 1.114 177.486 176.300 0.120 0.000 1.136 475 D CA -0.085 53.951 54.000 0.060 0.000 0.879 475 D CB 1.351 42.272 40.800 0.201 0.000 1.195 475 D HN 0.433 nan 8.370 nan 0.000 0.443 476 I N 2.016 122.698 120.570 0.186 0.000 2.208 476 I HA -0.224 3.947 4.170 0.002 0.000 0.245 476 I C 1.919 178.119 176.117 0.139 0.000 1.097 476 I CA 1.373 62.772 61.300 0.165 0.000 1.363 476 I CB -0.275 37.739 38.000 0.024 0.000 1.051 476 I HN 0.638 nan 8.210 nan 0.000 0.413 477 W N 0.274 121.576 121.300 0.003 0.000 2.355 477 W HA -0.281 4.381 4.660 0.002 0.000 0.309 477 W C 2.475 179.007 176.519 0.021 0.000 1.206 477 W CA 2.229 59.572 57.345 -0.004 0.000 1.284 477 W CB -0.423 29.031 29.460 -0.011 0.000 1.145 477 W HN 0.219 nan 8.180 nan 0.000 0.502 478 M N 1.086 120.812 119.600 0.212 0.000 2.065 478 M HA 0.001 4.483 4.480 0.002 0.000 0.259 478 M C 2.287 178.485 176.300 -0.170 0.000 1.069 478 M CA 2.646 57.962 55.300 0.028 0.000 1.110 478 M CB -1.447 31.297 32.600 0.239 0.000 1.328 478 M HN 0.073 nan 8.290 nan 0.000 0.405 479 G N -1.293 107.428 108.800 -0.131 0.000 2.440 479 G HA2 -0.155 3.806 3.960 0.002 0.000 0.218 479 G HA3 -0.155 3.806 3.960 0.002 0.000 0.218 479 G C 1.508 176.360 174.900 -0.080 0.000 1.154 479 G CA 0.892 45.843 45.100 -0.248 0.000 0.767 479 G HN 0.656 nan 8.290 nan 0.000 0.552 480 G N 0.580 109.363 108.800 -0.028 0.000 2.421 480 G HA2 -0.141 3.821 3.960 0.002 0.000 0.216 480 G HA3 -0.141 3.821 3.960 0.002 0.000 0.216 480 G C 1.906 176.689 174.900 -0.196 0.000 1.171 480 G CA 2.031 47.094 45.100 -0.061 0.000 0.775 480 G HN 0.899 nan 8.290 nan 0.000 0.543 481 V N -1.759 117.900 119.914 -0.426 0.000 3.217 481 V HA 0.092 4.213 4.120 0.002 0.000 0.264 481 V C 2.344 178.265 176.094 -0.288 0.000 1.135 481 V CA 1.977 64.012 62.300 -0.442 0.000 1.142 481 V CB 0.002 31.318 31.823 -0.846 0.000 0.754 481 V HN 0.177 nan 8.190 nan 0.000 0.484 482 S N -0.217 115.337 115.700 -0.243 0.000 2.436 482 S HA 0.071 4.543 4.470 0.002 0.000 0.228 482 S C 0.848 175.387 174.600 -0.101 0.000 1.014 482 S CA 0.293 58.395 58.200 -0.164 0.000 0.950 482 S CB -0.255 62.838 63.200 -0.178 0.000 0.784 482 S HN 0.778 nan 8.310 nan 0.000 0.504 483 E N 2.580 122.738 120.200 -0.071 0.000 2.392 483 E HA 0.095 4.447 4.350 0.002 0.000 0.264 483 E C -2.423 174.162 176.600 -0.024 0.000 1.024 483 E CA -1.694 54.696 56.400 -0.016 0.000 0.903 483 E CB 0.204 29.926 29.700 0.038 0.000 0.963 483 E HN 0.195 nan 8.360 nan 0.000 0.432 484 P HA -0.038 nan 4.420 nan 0.000 0.268 484 P C -0.408 176.885 177.300 -0.011 0.000 1.205 484 P CA 0.329 63.424 63.100 -0.009 0.000 0.771 484 P CB 0.507 32.207 31.700 0.001 0.000 0.858 485 L N 2.677 123.891 121.223 -0.015 0.000 2.416 485 L HA 0.183 4.525 4.340 0.002 0.000 0.272 485 L C 1.331 178.193 176.870 -0.013 0.000 1.161 485 L CA -0.270 54.558 54.840 -0.020 0.000 0.845 485 L CB -0.184 41.864 42.059 -0.018 0.000 1.119 485 L HN 0.319 nan 8.230 nan 0.000 0.464 486 K N 2.267 122.656 120.400 -0.018 0.000 2.380 486 K HA 0.061 4.382 4.320 0.002 0.000 0.267 486 K C 0.303 176.898 176.600 -0.009 0.000 0.990 486 K CA -0.242 56.040 56.287 -0.008 0.000 0.946 486 K CB 0.405 32.902 32.500 -0.005 0.000 0.937 486 K HN 0.450 nan 8.250 nan 0.000 0.491 487 R N 2.367 122.866 120.500 -0.002 0.000 2.480 487 R HA -0.127 4.214 4.340 0.002 0.000 0.303 487 R C -0.410 175.888 176.300 -0.004 0.000 0.985 487 R CA 0.941 57.040 56.100 -0.001 0.000 1.051 487 R CB 0.047 30.348 30.300 0.002 0.000 0.935 487 R HN 0.628 nan 8.270 nan 0.000 0.410 488 K N 0.702 121.099 120.400 -0.004 0.000 3.209 488 K HA -0.203 4.119 4.320 0.002 0.000 0.289 488 K C -0.036 176.553 176.600 -0.019 0.000 1.191 488 K CA 1.017 57.301 56.287 -0.005 0.000 0.851 488 K CB -1.173 31.328 32.500 0.000 0.000 1.242 488 K HN 0.906 nan 8.250 nan 0.000 0.480 489 G N -0.618 108.166 108.800 -0.028 0.000 2.714 489 G HA2 0.603 4.565 3.960 0.002 0.000 0.292 489 G HA3 0.603 4.565 3.960 0.002 0.000 0.292 489 G C -0.170 174.698 174.900 -0.054 0.000 1.308 489 G CA -0.743 44.324 45.100 -0.055 0.000 0.964 489 G HN 0.032 nan 8.290 nan 0.000 0.484 490 R N -0.381 120.067 120.500 -0.088 0.000 2.629 490 R HA 0.280 4.621 4.340 0.002 0.000 0.408 490 R C -0.066 176.176 176.300 -0.096 0.000 1.057 490 R CA -0.115 55.958 56.100 -0.046 0.000 1.119 490 R CB 0.361 30.675 30.300 0.024 0.000 1.403 490 R HN 0.574 nan 8.270 nan 0.000 0.576 491 V N -4.116 115.699 119.914 -0.165 0.000 3.114 491 V HA 0.913 5.034 4.120 0.002 0.000 0.308 491 V C 0.368 176.399 176.094 -0.104 0.000 1.168 491 V CA -1.145 61.041 62.300 -0.190 0.000 1.015 491 V CB 1.799 33.407 31.823 -0.358 0.000 1.050 491 V HN 0.063 nan 8.190 nan 0.000 0.433 492 G N 0.369 109.124 108.800 -0.076 0.000 2.543 492 G HA2 0.576 4.537 3.960 0.002 0.000 0.290 492 G HA3 0.576 4.537 3.960 0.002 0.000 0.290 492 G C -1.836 173.058 174.900 -0.011 0.000 1.310 492 G CA -1.120 43.963 45.100 -0.028 0.000 1.025 492 G HN 0.627 nan 8.290 nan 0.000 0.502 493 P HA -0.126 nan 4.420 nan 0.000 0.216 493 P C 2.059 179.384 177.300 0.041 0.000 1.153 493 P CA 0.562 63.693 63.100 0.052 0.000 0.858 493 P CB 0.131 31.866 31.700 0.058 0.000 0.789 494 L N -1.068 120.176 121.223 0.035 0.000 2.005 494 L HA -0.101 4.241 4.340 0.002 0.000 0.207 494 L C 2.250 179.115 176.870 -0.008 0.000 1.072 494 L CA 1.777 56.636 54.840 0.032 0.000 0.744 494 L CB -1.401 40.689 42.059 0.052 0.000 0.895 494 L HN -0.127 nan 8.230 nan 0.000 0.433 495 L N -0.671 120.530 121.223 -0.037 0.000 2.083 495 L HA -0.173 4.169 4.340 0.002 0.000 0.209 495 L C 2.633 179.437 176.870 -0.110 0.000 1.083 495 L CA 1.052 55.842 54.840 -0.084 0.000 0.752 495 L CB -0.900 41.082 42.059 -0.130 0.000 0.899 495 L HN 0.396 nan 8.230 nan 0.000 0.433 496 A N -0.609 122.146 122.820 -0.109 0.000 1.902 496 A HA -0.295 4.027 4.320 0.002 0.000 0.217 496 A C 2.530 179.905 177.584 -0.349 0.000 1.181 496 A CA 1.868 53.831 52.037 -0.124 0.000 0.623 496 A CB -1.230 17.770 19.000 0.000 0.000 0.818 496 A HN 0.620 nan 8.150 nan 0.000 0.443 497 c N -0.436 117.950 118.600 -0.357 0.000 2.432 497 c HA -0.046 4.525 4.570 0.002 0.000 0.277 497 c C 2.522 176.378 174.090 -0.391 0.000 1.249 497 c CA 1.173 57.103 56.329 -0.666 0.000 1.725 497 c CB -1.387 41.036 42.510 -0.146 0.000 2.028 497 c HN 0.571 nan 8.230 nan 0.000 0.477 498 I N 0.758 121.260 120.570 -0.112 0.000 2.202 498 I HA -0.141 4.030 4.170 0.002 0.000 0.242 498 I C 2.469 178.622 176.117 0.060 0.000 1.091 498 I CA 1.784 63.087 61.300 0.005 0.000 1.368 498 I CB -0.357 37.613 38.000 -0.050 0.000 1.058 498 I HN 0.340 nan 8.210 nan 0.000 0.410 499 I N 0.449 121.069 120.570 0.083 0.000 2.202 499 I HA -0.169 4.002 4.170 0.002 0.000 0.242 499 I C 2.666 178.920 176.117 0.228 0.000 1.091 499 I CA 1.552 63.030 61.300 0.297 0.000 1.368 499 I CB -0.894 37.290 38.000 0.306 0.000 1.058 499 I HN 0.247 nan 8.210 nan 0.000 0.410 500 G N 0.163 108.952 108.800 -0.019 0.000 2.422 500 G HA2 -0.211 3.751 3.960 0.002 0.000 0.218 500 G HA3 -0.211 3.751 3.960 0.002 0.000 0.218 500 G C 1.664 176.595 174.900 0.052 0.000 1.146 500 G CA 1.340 46.451 45.100 0.018 0.000 0.769 500 G HN 0.266 nan 8.290 nan 0.000 0.547 501 T N 0.412 114.904 114.554 -0.103 0.000 2.746 501 T HA -0.145 4.207 4.350 0.002 0.000 0.267 501 T C 2.346 177.046 174.700 0.001 0.000 1.039 501 T CA 1.701 63.816 62.100 0.025 0.000 1.142 501 T CB -0.171 68.727 68.868 0.051 0.000 0.866 501 T HN 0.334 nan 8.240 nan 0.000 0.444 502 Q N 0.423 120.165 119.800 -0.098 0.000 2.020 502 Q HA -0.048 4.294 4.340 0.002 0.000 0.202 502 Q C 1.792 177.553 176.000 -0.398 0.000 0.982 502 Q CA 1.782 57.362 55.803 -0.371 0.000 0.838 502 Q CB -0.675 27.577 28.738 -0.809 0.000 0.899 502 Q HN 0.544 nan 8.270 nan 0.000 0.423 503 F N -0.019 119.848 119.950 -0.137 0.000 2.293 503 F HA -0.004 4.525 4.527 0.003 0.000 0.300 503 F C 2.425 178.303 175.800 0.130 0.000 1.086 503 F CA 1.241 59.225 58.000 -0.026 0.000 1.375 503 F CB -0.236 38.691 39.000 -0.122 0.000 1.045 503 F HN 0.119 nan 8.300 nan 0.000 0.516 504 R N 0.711 121.347 120.500 0.227 0.000 2.092 504 R HA -0.127 4.215 4.340 0.002 0.000 0.231 504 R C 2.023 178.371 176.300 0.080 0.000 1.119 504 R CA 1.290 57.492 56.100 0.169 0.000 0.970 504 R CB -0.058 30.333 30.300 0.151 0.000 0.864 504 R HN 0.177 nan 8.270 nan 0.000 0.440 505 K N 0.219 120.641 120.400 0.037 0.000 2.057 505 K HA -0.058 4.264 4.320 0.002 0.000 0.206 505 K C 2.009 178.623 176.600 0.023 0.000 1.050 505 K CA 1.162 57.455 56.287 0.010 0.000 0.935 505 K CB -0.038 32.440 32.500 -0.038 0.000 0.715 505 K HN 0.193 nan 8.250 nan 0.000 0.439 506 L N 0.507 121.729 121.223 -0.001 0.000 2.275 506 L HA -0.127 4.215 4.340 0.002 0.000 0.215 506 L C 2.632 179.606 176.870 0.173 0.000 1.119 506 L CA 0.929 55.814 54.840 0.076 0.000 0.790 506 L CB -0.297 41.791 42.059 0.048 0.000 0.919 506 L HN 0.194 nan 8.230 nan 0.000 0.443 507 R N 0.218 120.718 120.500 0.000 0.000 2.055 507 R HA -0.093 4.248 4.340 0.002 0.000 0.221 507 R C 1.706 177.855 176.300 -0.250 0.000 1.154 507 R CA 1.317 57.120 56.100 -0.495 0.000 0.975 507 R CB 0.025 29.761 30.300 -0.939 0.000 0.869 507 R HN 0.163 nan 8.270 nan 0.000 0.437 508 D N -0.429 119.940 120.400 -0.051 0.000 2.264 508 D HA -0.047 4.594 4.640 0.002 0.000 0.208 508 D C 1.152 177.586 176.300 0.223 0.000 0.966 508 D CA 1.248 55.311 54.000 0.105 0.000 0.864 508 D CB -0.067 40.757 40.800 0.040 0.000 0.933 508 D HN 0.494 nan 8.370 nan 0.000 0.499 509 G N -0.283 108.662 108.800 0.242 0.000 3.523 509 G HA2 0.021 3.982 3.960 0.002 0.000 0.270 509 G HA3 0.021 3.982 3.960 0.002 0.000 0.270 509 G C -0.328 174.911 174.900 0.566 0.000 1.134 509 G CA -0.287 45.032 45.100 0.365 0.000 0.825 509 G HN -0.025 nan 8.290 nan 0.000 0.534 510 D N -0.072 120.614 120.400 0.477 0.000 2.414 510 D HA 0.210 4.851 4.640 0.002 0.000 0.232 510 D C 1.351 177.541 176.300 -0.183 0.000 1.070 510 D CA -0.820 53.350 54.000 0.284 0.000 0.839 510 D CB 1.356 42.424 40.800 0.448 0.000 1.079 510 D HN 0.037 nan 8.370 nan 0.000 0.521 511 R N 2.692 122.729 120.500 -0.772 0.000 2.193 511 R HA -0.048 4.293 4.340 0.002 0.000 0.229 511 R C 0.542 176.301 176.300 -0.901 0.000 1.110 511 R CA 1.218 56.451 56.100 -1.445 0.000 0.988 511 R CB -0.019 29.491 30.300 -1.316 0.000 0.871 511 R HN 0.383 nan 8.270 nan 0.000 0.458 512 F N -0.688 119.070 119.950 -0.320 0.000 2.647 512 F HA 0.163 4.691 4.527 0.002 0.000 0.300 512 F C 0.388 176.177 175.800 -0.019 0.000 1.106 512 F CA -0.880 57.008 58.000 -0.186 0.000 1.313 512 F CB 0.011 38.875 39.000 -0.227 0.000 1.007 512 F HN 0.085 nan 8.300 nan 0.000 0.536 513 W N 3.165 124.463 121.300 -0.003 0.000 2.314 513 W HA -0.164 4.497 4.660 0.001 0.000 0.339 513 W C 1.305 177.853 176.519 0.049 0.000 1.293 513 W CA -0.359 56.988 57.345 0.003 0.000 1.288 513 W CB 0.438 29.799 29.460 -0.165 0.000 1.186 513 W HN 0.527 nan 8.180 nan 0.000 0.566 514 W N 4.460 125.289 121.300 -0.786 0.000 2.392 514 W HA -0.164 4.498 4.660 0.003 0.000 0.279 514 W C 0.735 177.194 176.519 -0.101 0.000 1.225 514 W CA 1.399 58.584 57.345 -0.267 0.000 1.233 514 W CB -0.695 28.552 29.460 -0.356 0.000 1.122 514 W HN 0.467 nan 8.180 nan 0.000 0.561 515 E N 0.675 120.232 120.200 -1.073 0.000 2.474 515 E HA -0.077 4.274 4.350 0.002 0.000 0.194 515 E C 0.331 176.950 176.600 0.031 0.000 1.041 515 E CA -0.271 55.733 56.400 -0.660 0.000 0.874 515 E CB -0.249 29.019 29.700 -0.721 0.000 0.914 515 E HN 0.005 nan 8.360 nan 0.000 0.498 516 N N 2.740 121.552 118.700 0.188 0.000 2.412 516 N HA -0.115 4.627 4.740 0.002 0.000 0.258 516 N C -0.195 175.380 175.510 0.110 0.000 1.236 516 N CA 0.260 53.480 53.050 0.283 0.000 0.882 516 N CB 0.530 39.144 38.487 0.211 0.000 1.066 516 N HN -0.064 nan 8.380 nan 0.000 0.465 517 E N 2.651 122.907 120.200 0.093 0.000 2.529 517 E HA 0.060 4.411 4.350 0.002 0.000 0.259 517 E C 0.928 177.523 176.600 -0.009 0.000 0.966 517 E CA 1.347 57.766 56.400 0.032 0.000 0.937 517 E CB 0.023 29.734 29.700 0.019 0.000 0.923 517 E HN 0.838 nan 8.360 nan 0.000 0.468 518 G N 2.927 111.712 108.800 -0.025 0.000 2.258 518 G HA2 -0.313 3.648 3.960 0.002 0.000 0.233 518 G HA3 -0.313 3.648 3.960 0.002 0.000 0.233 518 G C 1.014 175.850 174.900 -0.107 0.000 1.006 518 G CA 0.229 45.292 45.100 -0.062 0.000 0.620 518 G HN 0.460 nan 8.290 nan 0.000 0.511 519 V N -0.090 119.752 119.914 -0.119 0.000 2.283 519 V HA 0.313 4.434 4.120 0.002 0.000 0.243 519 V C 1.204 177.034 176.094 -0.440 0.000 1.039 519 V CA 1.973 64.126 62.300 -0.245 0.000 1.016 519 V CB -0.400 31.322 31.823 -0.169 0.000 0.650 519 V HN 0.276 nan 8.190 nan 0.000 0.449 520 F N -0.442 119.496 119.950 -0.021 0.000 2.577 520 F HA 0.539 5.068 4.527 0.004 0.000 0.318 520 F C 0.600 176.348 175.800 -0.087 0.000 1.065 520 F CA -0.865 57.097 58.000 -0.062 0.000 0.929 520 F CB 1.532 40.534 39.000 0.003 0.000 1.237 520 F HN -0.043 nan 8.300 nan 0.000 0.468 521 S N 2.396 118.129 115.700 0.055 0.000 2.589 521 S HA 0.094 4.565 4.470 0.002 0.000 0.265 521 S C 1.244 175.855 174.600 0.017 0.000 1.342 521 S CA -0.598 57.599 58.200 -0.006 0.000 1.005 521 S CB 0.638 63.795 63.200 -0.071 0.000 0.909 521 S HN 0.946 nan 8.310 nan 0.000 0.555 522 M N 1.293 120.898 119.600 0.009 0.000 2.149 522 M HA -0.192 4.289 4.480 0.002 0.000 0.261 522 M C 2.294 178.603 176.300 0.016 0.000 1.064 522 M CA 1.750 57.061 55.300 0.020 0.000 1.102 522 M CB -0.420 32.189 32.600 0.014 0.000 1.369 522 M HN 0.890 nan 8.290 nan 0.000 0.408 523 Q N -0.359 119.434 119.800 -0.011 0.000 2.172 523 Q HA -0.199 4.143 4.340 0.002 0.000 0.200 523 Q C 1.691 177.669 176.000 -0.037 0.000 0.964 523 Q CA 1.437 57.233 55.803 -0.011 0.000 0.855 523 Q CB -0.769 27.960 28.738 -0.014 0.000 0.918 523 Q HN 0.673 nan 8.270 nan 0.000 0.444 524 Q N 0.618 120.326 119.800 -0.155 0.000 2.119 524 Q HA -0.032 4.309 4.340 0.002 0.000 0.201 524 Q C 2.280 178.226 176.000 -0.091 0.000 0.972 524 Q CA 1.043 56.636 55.803 -0.349 0.000 0.847 524 Q CB 0.030 28.382 28.738 -0.643 0.000 0.903 524 Q HN 0.371 nan 8.270 nan 0.000 0.433 525 R N 0.160 120.676 120.500 0.028 0.000 2.092 525 R HA -0.119 4.223 4.340 0.002 0.000 0.231 525 R C 2.318 178.735 176.300 0.194 0.000 1.119 525 R CA 0.903 57.122 56.100 0.198 0.000 0.970 525 R CB -0.174 30.243 30.300 0.195 0.000 0.864 525 R HN 0.247 nan 8.270 nan 0.000 0.440 526 Q N 0.916 120.783 119.800 0.112 0.000 2.124 526 Q HA -0.098 4.243 4.340 0.002 0.000 0.202 526 Q C 1.862 177.914 176.000 0.085 0.000 0.977 526 Q CA 1.922 57.783 55.803 0.097 0.000 0.850 526 Q CB -0.023 28.756 28.738 0.068 0.000 0.901 526 Q HN 0.321 nan 8.270 nan 0.000 0.429 527 A N 0.526 123.409 122.820 0.104 0.000 1.897 527 A HA -0.080 4.242 4.320 0.002 0.000 0.215 527 A C 2.258 179.879 177.584 0.062 0.000 1.181 527 A CA 0.968 53.084 52.037 0.132 0.000 0.620 527 A CB -0.622 18.571 19.000 0.321 0.000 0.821 527 A HN 0.400 nan 8.150 nan 0.000 0.443 528 L N -0.652 120.587 121.223 0.026 0.000 2.201 528 L HA -0.127 4.214 4.340 0.002 0.000 0.212 528 L C 2.852 179.575 176.870 -0.245 0.000 1.105 528 L CA 0.742 55.473 54.840 -0.181 0.000 0.775 528 L CB -0.410 41.406 42.059 -0.404 0.000 0.913 528 L HN 0.421 nan 8.230 nan 0.000 0.440 529 A N -0.792 121.969 122.820 -0.097 0.000 2.178 529 A HA -0.156 4.165 4.320 0.002 0.000 0.218 529 A C 1.984 179.541 177.584 -0.046 0.000 1.157 529 A CA 1.044 53.057 52.037 -0.039 0.000 0.689 529 A CB -0.181 18.884 19.000 0.107 0.000 0.787 529 A HN 0.380 nan 8.150 nan 0.000 0.465 530 Q N -0.524 119.242 119.800 -0.056 0.000 2.360 530 Q HA 0.172 4.513 4.340 0.002 0.000 0.202 530 Q C 0.590 176.542 176.000 -0.080 0.000 0.915 530 Q CA -0.033 55.741 55.803 -0.049 0.000 0.943 530 Q CB -0.552 28.168 28.738 -0.029 0.000 1.064 530 Q HN 0.867 nan 8.270 nan 0.000 0.511 531 I N -0.694 119.801 120.570 -0.124 0.000 2.823 531 I HA 0.416 4.588 4.170 0.002 0.000 0.290 531 I C 0.154 176.201 176.117 -0.115 0.000 1.091 531 I CA -0.362 60.857 61.300 -0.135 0.000 1.365 531 I CB 1.188 39.077 38.000 -0.184 0.000 1.427 531 I HN -0.041 nan 8.210 nan 0.000 0.583 532 S N 4.093 119.729 115.700 -0.106 0.000 2.565 532 S HA 0.400 4.871 4.470 0.002 0.000 0.269 532 S C 0.143 174.681 174.600 -0.105 0.000 1.153 532 S CA -0.781 57.358 58.200 -0.103 0.000 0.835 532 S CB 1.158 64.297 63.200 -0.101 0.000 1.122 532 S HN 0.904 nan 8.310 nan 0.000 0.462 533 L N 1.784 122.934 121.223 -0.122 0.000 2.046 533 L HA 0.236 4.577 4.340 0.002 0.000 0.208 533 L C -1.121 175.683 176.870 -0.111 0.000 1.077 533 L CA 1.723 56.493 54.840 -0.115 0.000 0.747 533 L CB -1.772 40.193 42.059 -0.158 0.000 0.896 533 L HN 0.616 nan 8.230 nan 0.000 0.432 534 P HA -0.195 nan 4.420 nan 0.000 0.215 534 P C 1.544 178.802 177.300 -0.071 0.000 1.157 534 P CA 1.403 64.438 63.100 -0.108 0.000 0.874 534 P CB -0.041 31.576 31.700 -0.139 0.000 0.790 535 R N 0.136 120.591 120.500 -0.076 0.000 2.081 535 R HA -0.068 4.274 4.340 0.002 0.000 0.235 535 R C 2.172 178.437 176.300 -0.057 0.000 1.131 535 R CA 1.511 57.574 56.100 -0.062 0.000 0.960 535 R CB -1.550 28.708 30.300 -0.069 0.000 0.856 535 R HN 0.126 nan 8.270 nan 0.000 0.436 536 I N 0.021 120.552 120.570 -0.065 0.000 2.208 536 I HA -0.298 3.874 4.170 0.002 0.000 0.245 536 I C 2.137 178.229 176.117 -0.042 0.000 1.097 536 I CA 1.436 62.702 61.300 -0.057 0.000 1.363 536 I CB -0.306 37.659 38.000 -0.059 0.000 1.051 536 I HN 0.172 nan 8.210 nan 0.000 0.413 537 I N 0.099 120.647 120.570 -0.036 0.000 2.226 537 I HA -0.338 3.833 4.170 0.002 0.000 0.245 537 I C 2.661 178.771 176.117 -0.012 0.000 1.100 537 I CA 1.265 62.553 61.300 -0.019 0.000 1.374 537 I CB -0.413 37.584 38.000 -0.006 0.000 1.057 537 I HN 0.369 nan 8.210 nan 0.000 0.413 538 c N 0.500 119.092 118.600 -0.013 0.000 2.413 538 c HA -0.176 4.396 4.570 0.002 0.000 0.277 538 c C 2.276 176.357 174.090 -0.015 0.000 1.265 538 c CA 0.787 57.113 56.329 -0.006 0.000 1.752 538 c CB -1.011 41.493 42.510 -0.010 0.000 1.998 538 c HN 0.513 nan 8.230 nan 0.000 0.489 539 D N 0.226 120.610 120.400 -0.028 0.000 2.347 539 D HA -0.011 4.631 4.640 0.002 0.000 0.215 539 D C 1.037 177.320 176.300 -0.029 0.000 0.976 539 D CA 0.884 54.864 54.000 -0.033 0.000 0.884 539 D CB -0.311 40.461 40.800 -0.047 0.000 0.915 539 D HN 0.591 nan 8.370 nan 0.000 0.526 540 N N -0.110 118.574 118.700 -0.025 0.000 2.232 540 N HA 0.021 4.763 4.740 0.002 0.000 0.240 540 N C -0.076 175.421 175.510 -0.022 0.000 1.307 540 N CA 0.131 53.166 53.050 -0.024 0.000 0.859 540 N CB 1.815 40.285 38.487 -0.027 0.000 1.260 540 N HN 0.135 nan 8.380 nan 0.000 0.501 541 T N -4.953 109.590 114.554 -0.018 0.000 2.812 541 T HA 0.469 4.821 4.350 0.002 0.000 0.294 541 T C 0.841 175.533 174.700 -0.014 0.000 1.159 541 T CA -0.603 61.486 62.100 -0.018 0.000 1.008 541 T CB 1.554 70.411 68.868 -0.019 0.000 1.289 541 T HN -0.116 nan 8.240 nan 0.000 0.514 542 G N -0.074 108.715 108.800 -0.018 0.000 3.088 542 G HA2 0.304 4.266 3.960 0.002 0.000 0.212 542 G HA3 0.304 4.266 3.960 0.002 0.000 0.212 542 G C 0.386 175.278 174.900 -0.012 0.000 1.173 542 G CA -0.333 44.758 45.100 -0.015 0.000 0.779 542 G HN 0.764 nan 8.290 nan 0.000 0.540 543 I N 1.941 122.507 120.570 -0.007 0.000 2.396 543 I HA 0.128 4.299 4.170 0.002 0.000 0.289 543 I C 1.470 177.616 176.117 0.048 0.000 1.056 543 I CA -0.053 61.255 61.300 0.014 0.000 1.365 543 I CB 1.551 39.566 38.000 0.024 0.000 1.407 543 I HN 0.072 nan 8.210 nan 0.000 0.509 544 T N -0.468 114.129 114.554 0.072 0.000 3.023 544 T HA 0.138 4.489 4.350 0.002 0.000 0.253 544 T C 0.604 175.379 174.700 0.126 0.000 1.038 544 T CA -0.045 62.102 62.100 0.078 0.000 0.962 544 T CB 0.143 69.046 68.868 0.059 0.000 1.018 544 T HN 0.489 nan 8.240 nan 0.000 0.521 545 T N 2.691 117.372 114.554 0.212 0.000 2.840 545 T HA 0.675 5.026 4.350 0.002 0.000 0.287 545 T C -0.502 174.458 174.700 0.433 0.000 0.991 545 T CA -0.607 61.676 62.100 0.304 0.000 0.964 545 T CB 1.855 70.949 68.868 0.378 0.000 0.954 545 T HN 0.389 nan 8.240 nan 0.000 0.438 546 V N 0.514 120.605 119.914 0.295 0.000 3.158 546 V HA 0.818 4.940 4.120 0.002 0.000 0.311 546 V C 0.080 176.020 176.094 -0.255 0.000 1.181 546 V CA -1.213 61.196 62.300 0.181 0.000 1.054 546 V CB 1.728 33.583 31.823 0.054 0.000 1.085 546 V HN 0.757 nan 8.190 nan 0.000 0.446 547 S N 1.051 116.365 115.700 -0.642 0.000 2.568 547 S HA 0.279 4.751 4.470 0.002 0.000 0.282 547 S C 0.010 174.321 174.600 -0.483 0.000 1.338 547 S CA -0.536 57.070 58.200 -0.989 0.000 1.045 547 S CB -0.043 62.723 63.200 -0.722 0.000 0.873 547 S HN 0.743 nan 8.310 nan 0.000 0.516 548 K N 1.792 121.945 120.400 -0.411 0.000 2.258 548 K HA 0.124 4.446 4.320 0.002 0.000 0.264 548 K C -0.072 176.403 176.600 -0.208 0.000 1.007 548 K CA -0.205 55.945 56.287 -0.228 0.000 0.941 548 K CB 0.273 32.676 32.500 -0.160 0.000 0.966 548 K HN 0.560 nan 8.250 nan 0.000 0.480 549 N N 1.589 120.198 118.700 -0.152 0.000 2.492 549 N HA -0.045 4.696 4.740 0.002 0.000 0.260 549 N C -0.317 175.135 175.510 -0.098 0.000 1.215 549 N CA -0.309 52.660 53.050 -0.135 0.000 0.923 549 N CB 0.379 38.808 38.487 -0.096 0.000 1.092 549 N HN 0.406 nan 8.380 nan 0.000 0.448 550 N N 2.267 120.920 118.700 -0.078 0.000 2.458 550 N HA 0.055 4.796 4.740 0.002 0.000 0.270 550 N C 0.708 176.110 175.510 -0.179 0.000 1.102 550 N CA -0.040 52.951 53.050 -0.099 0.000 0.967 550 N CB 0.766 39.253 38.487 0.000 0.000 1.078 550 N HN 0.625 nan 8.380 nan 0.000 0.471 551 I N 3.453 123.818 120.570 -0.341 0.000 2.423 551 I HA -0.247 3.925 4.170 0.002 0.000 0.254 551 I C 0.918 176.838 176.117 -0.329 0.000 1.151 551 I CA 1.336 62.387 61.300 -0.414 0.000 1.421 551 I CB 0.008 37.677 38.000 -0.552 0.000 1.079 551 I HN 0.509 nan 8.210 nan 0.000 0.431 552 F N -0.583 119.382 119.950 0.024 0.000 2.661 552 F HA -0.084 4.444 4.527 0.002 0.000 0.298 552 F C 2.197 178.015 175.800 0.031 0.000 1.137 552 F CA 0.480 58.514 58.000 0.056 0.000 1.454 552 F CB -0.084 38.980 39.000 0.106 0.000 1.103 552 F HN 0.129 nan 8.300 nan 0.000 0.577 553 M N -0.996 118.672 119.600 0.113 0.000 2.718 553 M HA 0.138 4.619 4.480 0.002 0.000 0.259 553 M C 0.761 177.076 176.300 0.025 0.000 1.240 553 M CA 0.473 55.814 55.300 0.069 0.000 1.210 553 M CB 0.350 32.978 32.600 0.046 0.000 1.281 553 M HN -0.257 nan 8.290 nan 0.000 0.515 554 S N 2.740 118.420 115.700 -0.033 0.000 2.546 554 S HA 0.021 4.492 4.470 0.002 0.000 0.290 554 S C 0.319 174.916 174.600 -0.005 0.000 1.290 554 S CA 0.368 58.529 58.200 -0.065 0.000 1.069 554 S CB 0.078 63.154 63.200 -0.206 0.000 0.846 554 S HN 0.694 nan 8.310 nan 0.000 0.495 555 N N -0.255 118.491 118.700 0.076 0.000 1.899 555 N HA 0.015 4.756 4.740 0.002 0.000 0.223 555 N C -0.711 174.923 175.510 0.207 0.000 1.411 555 N CA -0.289 52.848 53.050 0.146 0.000 0.737 555 N CB 0.386 38.923 38.487 0.083 0.000 1.100 555 N HN 0.314 nan 8.380 nan 0.000 0.527 556 S N 0.481 116.323 115.700 0.237 0.000 2.640 556 S HA 0.411 4.882 4.470 0.002 0.000 0.320 556 S C -1.686 173.019 174.600 0.175 0.000 1.097 556 S CA -0.572 57.724 58.200 0.159 0.000 1.092 556 S CB 0.245 63.486 63.200 0.067 0.000 0.988 556 S HN 0.275 nan 8.310 nan 0.000 0.470 557 Y N 7.107 127.300 120.300 -0.177 0.000 2.308 557 Y HA 0.534 5.085 4.550 0.002 0.000 0.329 557 Y C -1.274 174.469 175.900 -0.262 0.000 1.111 557 Y CA -1.594 56.183 58.100 -0.539 0.000 1.179 557 Y CB 1.259 39.017 38.460 -1.170 0.000 1.201 557 Y HN 0.565 nan 8.280 nan 0.000 0.483 558 P HA 0.046 nan 4.420 nan 0.000 0.251 558 P C 1.168 178.251 177.300 -0.362 0.000 1.223 558 P CA 0.351 62.733 63.100 -1.196 0.000 0.796 558 P CB 0.209 31.220 31.700 -1.148 0.000 1.068 559 R N 1.382 121.768 120.500 -0.190 0.000 2.140 559 R HA -0.158 4.183 4.340 0.002 0.000 0.250 559 R C 0.375 176.673 176.300 -0.004 0.000 1.150 559 R CA 1.957 58.014 56.100 -0.072 0.000 0.966 559 R CB -0.286 29.990 30.300 -0.041 0.000 0.869 559 R HN 0.060 nan 8.270 nan 0.000 0.445 560 D N -1.054 119.413 120.400 0.111 0.000 2.388 560 D HA 0.125 4.767 4.640 0.002 0.000 0.221 560 D C -0.806 175.429 176.300 -0.108 0.000 1.133 560 D CA 0.246 54.264 54.000 0.029 0.000 0.831 560 D CB 0.083 40.891 40.800 0.013 0.000 0.962 560 D HN 0.064 nan 8.370 nan 0.000 0.502 561 F N 0.452 120.313 119.950 -0.147 0.000 2.522 561 F HA 0.443 4.972 4.527 0.003 0.000 0.324 561 F C 0.370 176.115 175.800 -0.090 0.000 1.077 561 F CA -1.199 56.731 58.000 -0.117 0.000 0.944 561 F CB 1.980 40.901 39.000 -0.133 0.000 1.175 561 F HN -0.295 nan 8.300 nan 0.000 0.468 562 V N -0.582 119.365 119.914 0.055 0.000 3.130 562 V HA 0.599 4.721 4.120 0.002 0.000 0.310 562 V C -0.874 175.262 176.094 0.070 0.000 1.158 562 V CA -1.150 61.170 62.300 0.034 0.000 1.029 562 V CB 1.762 33.572 31.823 -0.021 0.000 1.057 562 V HN 0.625 nan 8.190 nan 0.000 0.436 563 N N 0.277 119.010 118.700 0.055 0.000 2.530 563 N HA 0.255 4.996 4.740 0.002 0.000 0.273 563 N C 1.002 176.535 175.510 0.038 0.000 1.173 563 N CA -0.188 52.900 53.050 0.062 0.000 0.967 563 N CB 1.251 39.767 38.487 0.047 0.000 1.109 563 N HN 0.910 nan 8.380 nan 0.000 0.453 564 c N 0.250 118.877 118.600 0.044 0.000 2.410 564 c HA -0.142 4.429 4.570 0.002 0.000 0.281 564 c C 2.650 176.744 174.090 0.007 0.000 1.318 564 c CA 1.292 57.633 56.329 0.021 0.000 1.776 564 c CB -1.269 41.256 42.510 0.025 0.000 1.942 564 c HN 0.865 nan 8.230 nan 0.000 0.508 565 S N 0.917 116.624 115.700 0.011 0.000 2.442 565 S HA -0.177 4.295 4.470 0.002 0.000 0.236 565 S C 1.582 176.181 174.600 -0.002 0.000 1.007 565 S CA 1.950 60.152 58.200 0.004 0.000 0.965 565 S CB -0.961 62.244 63.200 0.008 0.000 0.773 565 S HN 0.786 nan 8.310 nan 0.000 0.504 566 T N -0.315 114.238 114.554 -0.002 0.000 3.113 566 T HA 0.330 4.681 4.350 0.002 0.000 0.256 566 T C 0.432 175.123 174.700 -0.016 0.000 1.131 566 T CA -0.247 61.848 62.100 -0.008 0.000 1.074 566 T CB -0.588 68.275 68.868 -0.008 0.000 0.944 566 T HN 0.398 nan 8.240 nan 0.000 0.516 567 L N 3.384 124.596 121.223 -0.019 0.000 2.262 567 L HA 0.452 4.794 4.340 0.002 0.000 0.288 567 L C -2.309 174.545 176.870 -0.028 0.000 1.035 567 L CA -2.465 52.358 54.840 -0.028 0.000 0.820 567 L CB 0.955 42.992 42.059 -0.036 0.000 1.204 567 L HN -0.012 nan 8.230 nan 0.000 0.424 568 P HA 0.122 nan 4.420 nan 0.000 0.271 568 P C -0.260 177.017 177.300 -0.037 0.000 1.220 568 P CA -0.196 62.888 63.100 -0.027 0.000 0.768 568 P CB 1.243 32.931 31.700 -0.020 0.000 0.848 569 A N 4.091 126.887 122.820 -0.040 0.000 2.346 569 A HA 0.224 4.545 4.320 0.002 0.000 0.252 569 A C 0.194 177.740 177.584 -0.064 0.000 1.089 569 A CA -0.525 51.479 52.037 -0.055 0.000 0.797 569 A CB -0.176 18.791 19.000 -0.055 0.000 1.047 569 A HN 0.635 nan 8.150 nan 0.000 0.494 570 L N 1.211 122.379 121.223 -0.093 0.000 2.513 570 L HA 0.135 4.476 4.340 0.002 0.000 0.272 570 L C 0.182 176.989 176.870 -0.106 0.000 1.187 570 L CA 0.247 55.018 54.840 -0.114 0.000 0.895 570 L CB -0.155 41.794 42.059 -0.183 0.000 1.147 570 L HN 0.701 nan 8.230 nan 0.000 0.483 571 N N 4.992 123.663 118.700 -0.049 0.000 2.420 571 N HA 0.170 4.912 4.740 0.002 0.000 0.249 571 N C 0.157 175.683 175.510 0.027 0.000 1.033 571 N CA -0.108 52.937 53.050 -0.008 0.000 0.944 571 N CB 0.484 38.993 38.487 0.038 0.000 1.113 571 N HN 0.778 nan 8.380 nan 0.000 0.502 572 L N 2.513 123.706 121.223 -0.050 0.000 2.629 572 L HA 0.190 4.531 4.340 0.002 0.000 0.230 572 L C 1.908 178.932 176.870 0.256 0.000 1.151 572 L CA -0.075 54.745 54.840 -0.034 0.000 0.924 572 L CB -0.235 41.647 42.059 -0.296 0.000 1.137 572 L HN 0.549 nan 8.230 nan 0.000 0.457 573 A N 0.675 123.607 122.820 0.187 0.000 1.940 573 A HA -0.231 4.090 4.320 0.002 0.000 0.219 573 A C 2.429 180.126 177.584 0.187 0.000 1.176 573 A CA 2.100 54.222 52.037 0.143 0.000 0.631 573 A CB -0.462 18.588 19.000 0.085 0.000 0.814 573 A HN 0.525 nan 8.150 nan 0.000 0.446 574 S N -2.355 113.502 115.700 0.261 0.000 2.603 574 S HA -0.066 4.406 4.470 0.002 0.000 0.229 574 S C 1.322 175.964 174.600 0.069 0.000 0.972 574 S CA 0.147 58.415 58.200 0.113 0.000 0.935 574 S CB -0.564 62.635 63.200 -0.002 0.000 0.769 574 S HN 0.720 nan 8.310 nan 0.000 0.536 575 W N 1.682 123.009 121.300 0.045 0.000 3.197 575 W HA 0.327 4.989 4.660 0.003 0.000 0.274 575 W C 0.975 177.476 176.519 -0.030 0.000 1.297 575 W CA -0.754 56.640 57.345 0.082 0.000 1.662 575 W CB 0.038 29.563 29.460 0.107 0.000 1.106 575 W HN 0.267 nan 8.180 nan 0.000 0.663 576 R N 2.394 122.959 120.500 0.108 0.000 2.458 576 R HA -0.081 4.261 4.340 0.002 0.000 0.303 576 R C 1.137 177.418 176.300 -0.031 0.000 1.013 576 R CA 0.798 56.874 56.100 -0.040 0.000 1.026 576 R CB 0.465 30.752 30.300 -0.022 0.000 0.948 576 R HN 0.069 nan 8.270 nan 0.000 0.417 577 E N 3.955 124.096 120.200 -0.099 0.000 2.122 577 E HA 0.004 4.356 4.350 0.002 0.000 0.190 577 E C 0.457 177.059 176.600 0.003 0.000 0.977 577 E CA 0.690 57.094 56.400 0.006 0.000 0.820 577 E CB 0.074 29.795 29.700 0.034 0.000 0.770 577 E HN 0.844 nan 8.360 nan 0.000 0.462 578 A N 0.000 122.798 122.820 -0.037 0.000 2.254 578 A HA 0.000 4.321 4.320 0.002 0.000 0.244 578 A CA 0.000 52.025 52.037 -0.021 0.000 0.836 578 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 578 A HN 0.000 nan 8.150 nan 0.000 0.486