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 1d2v_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 0.000 176.082 176.094 -0.021 0.000 1.182 113 V CA 0.000 62.295 62.300 -0.008 0.000 1.235 113 V CB 0.000 31.814 31.823 -0.015 0.000 1.184 114 N N 2.575 121.263 118.700 -0.021 0.000 2.439 114 N HA 0.133 4.874 4.740 0.003 0.000 0.243 114 N C 1.120 176.567 175.510 -0.105 0.000 1.088 114 N CA -0.019 53.017 53.050 -0.022 0.000 0.940 114 N CB 1.240 39.735 38.487 0.013 0.000 1.180 114 N HN 0.837 nan 8.380 nan 0.000 0.505 115 c N 2.104 120.534 118.600 -0.283 0.000 2.410 115 c HA -0.108 4.464 4.570 0.003 0.000 0.281 115 c C 2.326 176.204 174.090 -0.354 0.000 1.318 115 c CA 0.440 56.440 56.329 -0.549 0.000 1.776 115 c CB -0.765 40.832 42.510 -1.521 0.000 1.942 115 c HN 0.748 nan 8.230 nan 0.000 0.508 116 E N 1.232 121.362 120.200 -0.116 0.000 2.216 116 E HA -0.104 4.248 4.350 0.003 0.000 0.192 116 E C 2.011 178.623 176.600 0.019 0.000 0.988 116 E CA 1.861 58.296 56.400 0.058 0.000 0.834 116 E CB -0.174 29.643 29.700 0.196 0.000 0.772 116 E HN 0.707 nan 8.360 nan 0.000 0.479 117 T N -3.231 111.322 114.554 -0.002 0.000 3.040 117 T HA 0.296 4.647 4.350 0.003 0.000 0.266 117 T C 0.546 175.239 174.700 -0.013 0.000 1.005 117 T CA 0.041 62.141 62.100 0.001 0.000 0.906 117 T CB 0.211 69.085 68.868 0.009 0.000 1.082 117 T HN 0.033 nan 8.240 nan 0.000 0.531 118 S N -1.064 114.617 115.700 -0.031 0.000 2.568 118 S HA 0.511 4.983 4.470 0.003 0.000 0.293 118 S C 0.078 174.656 174.600 -0.038 0.000 1.089 118 S CA -0.715 57.467 58.200 -0.029 0.000 0.945 118 S CB 1.493 64.676 63.200 -0.028 0.000 1.077 118 S HN 0.320 nan 8.310 nan 0.000 0.485 119 c N 3.060 121.644 118.600 -0.026 0.000 2.778 119 c HA 0.412 4.984 4.570 0.003 0.000 0.294 119 c C 0.288 174.368 174.090 -0.016 0.000 1.331 119 c CA -0.406 55.908 56.329 -0.025 0.000 1.741 119 c CB -1.263 41.233 42.510 -0.022 0.000 2.106 119 c HN 0.635 nan 8.230 nan 0.000 0.603 120 V N 2.122 122.027 119.914 -0.014 0.000 2.508 120 V HA 0.075 4.197 4.120 0.003 0.000 0.281 120 V C 0.421 176.519 176.094 0.007 0.000 1.041 120 V CA 0.394 62.692 62.300 -0.004 0.000 1.016 120 V CB 1.007 32.826 31.823 -0.006 0.000 0.984 120 V HN 0.501 nan 8.190 nan 0.000 0.478 121 Q N 4.995 124.810 119.800 0.025 0.000 2.423 121 Q HA 0.291 4.632 4.340 0.003 0.000 0.235 121 Q C -0.889 175.133 176.000 0.037 0.000 1.100 121 Q CA -0.311 55.524 55.803 0.053 0.000 0.908 121 Q CB 0.366 29.157 28.738 0.088 0.000 1.312 121 Q HN 0.647 nan 8.270 nan 0.000 0.497 122 Q N 3.366 123.184 119.800 0.030 0.000 2.377 122 Q HA 0.421 4.763 4.340 0.003 0.000 0.279 122 Q C -2.630 173.382 176.000 0.021 0.000 1.049 122 Q CA -2.131 53.682 55.803 0.018 0.000 0.825 122 Q CB 1.881 30.624 28.738 0.009 0.000 1.401 122 Q HN 0.529 nan 8.270 nan 0.000 0.404 123 P HA -0.023 nan 4.420 nan 0.000 0.261 123 P C -1.846 175.474 177.300 0.033 0.000 1.173 123 P CA -0.220 62.896 63.100 0.027 0.000 0.760 123 P CB 0.186 31.896 31.700 0.017 0.000 0.783 124 P HA 0.169 nan 4.420 nan 0.000 0.262 124 P C -0.908 176.453 177.300 0.103 0.000 1.651 124 P CA -0.062 63.089 63.100 0.086 0.000 1.119 124 P CB 0.074 31.846 31.700 0.120 0.000 1.552 125 c N 0.668 119.295 118.600 0.045 0.000 2.452 125 c HA 0.450 5.022 4.570 0.003 0.000 0.379 125 c C 0.321 174.549 174.090 0.229 0.000 1.275 125 c CA -0.407 55.945 56.329 0.040 0.000 2.056 125 c CB -0.788 41.674 42.510 -0.080 0.000 2.506 125 c HN 0.307 nan 8.230 nan 0.000 0.560 126 F N 5.423 125.464 119.950 0.151 0.000 2.564 126 F HA 0.368 4.896 4.527 0.003 0.000 0.329 126 F C -2.225 173.576 175.800 0.001 0.000 1.458 126 F CA -3.287 54.758 58.000 0.075 0.000 1.117 126 F CB 0.237 39.281 39.000 0.074 0.000 1.383 126 F HN 0.422 nan 8.300 nan 0.000 0.571 127 P HA -0.033 nan 4.420 nan 0.000 0.264 127 P C -0.420 176.726 177.300 -0.257 0.000 1.183 127 P CA -0.022 63.033 63.100 -0.075 0.000 0.763 127 P CB 1.099 32.777 31.700 -0.037 0.000 0.807 128 L N 4.135 125.200 121.223 -0.262 0.000 2.361 128 L HA 0.146 4.488 4.340 0.003 0.000 0.278 128 L C 1.332 178.096 176.870 -0.177 0.000 1.113 128 L CA 0.520 55.181 54.840 -0.299 0.000 0.849 128 L CB -0.486 41.429 42.059 -0.240 0.000 1.155 128 L HN 0.251 nan 8.230 nan 0.000 0.452 129 K N 3.406 123.708 120.400 -0.164 0.000 2.258 129 K HA 0.345 4.667 4.320 0.003 0.000 0.264 129 K C -0.415 176.132 176.600 -0.088 0.000 1.007 129 K CA -0.529 55.698 56.287 -0.100 0.000 0.941 129 K CB 0.783 33.237 32.500 -0.077 0.000 0.966 129 K HN 0.325 nan 8.250 nan 0.000 0.480 130 I N 4.219 124.750 120.570 -0.064 0.000 2.336 130 I HA 0.235 4.406 4.170 0.003 0.000 0.292 130 I C -1.725 174.362 176.117 -0.050 0.000 0.991 130 I CA -2.813 58.453 61.300 -0.057 0.000 1.227 130 I CB 0.598 38.571 38.000 -0.045 0.000 1.366 130 I HN 0.503 nan 8.210 nan 0.000 0.466 131 P HA 0.409 nan 4.420 nan 0.000 0.276 131 P C -2.826 174.452 177.300 -0.035 0.000 1.252 131 P CA -1.707 61.366 63.100 -0.045 0.000 0.802 131 P CB -0.017 31.652 31.700 -0.052 0.000 1.035 132 P HA 0.136 nan 4.420 nan 0.000 0.271 132 P C -0.314 176.972 177.300 -0.024 0.000 1.218 132 P CA 0.122 63.207 63.100 -0.024 0.000 0.780 132 P CB -0.221 31.466 31.700 -0.021 0.000 0.901 133 N N -1.197 117.491 118.700 -0.020 0.000 2.725 133 N HA -0.208 4.533 4.740 0.003 0.000 0.249 133 N C -0.159 175.338 175.510 -0.020 0.000 1.103 133 N CA 0.417 53.456 53.050 -0.018 0.000 0.707 133 N CB -1.161 37.317 38.487 -0.016 0.000 1.043 133 N HN 0.608 nan 8.380 nan 0.000 0.553 134 D N 0.742 121.128 120.400 -0.023 0.000 2.493 134 D HA -0.029 4.613 4.640 0.003 0.000 0.240 134 D C -0.795 175.493 176.300 -0.021 0.000 1.142 134 D CA -1.204 52.781 54.000 -0.026 0.000 0.872 134 D CB 0.937 41.719 40.800 -0.029 0.000 1.173 134 D HN 0.139 nan 8.370 nan 0.000 0.467 135 P HA -0.138 nan 4.420 nan 0.000 0.221 135 P C 1.084 178.375 177.300 -0.014 0.000 1.145 135 P CA 1.125 64.216 63.100 -0.016 0.000 0.795 135 P CB 0.434 32.125 31.700 -0.015 0.000 0.775 136 R N -0.724 119.766 120.500 -0.017 0.000 2.302 136 R HA 0.229 4.571 4.340 0.003 0.000 0.187 136 R C 0.854 177.145 176.300 -0.015 0.000 0.904 136 R CA 0.061 56.152 56.100 -0.015 0.000 1.105 136 R CB 0.278 30.567 30.300 -0.017 0.000 1.239 136 R HN -0.008 nan 8.270 nan 0.000 0.620 137 I N 3.605 124.163 120.570 -0.019 0.000 2.282 137 I HA 0.169 4.341 4.170 0.003 0.000 0.290 137 I C 0.208 176.314 176.117 -0.018 0.000 1.090 137 I CA -0.485 60.803 61.300 -0.018 0.000 1.231 137 I CB 1.594 39.580 38.000 -0.024 0.000 1.434 137 I HN 0.043 nan 8.210 nan 0.000 0.487 138 K N 2.444 122.836 120.400 -0.014 0.000 2.432 138 K HA 0.010 4.332 4.320 0.003 0.000 0.196 138 K C 0.628 177.219 176.600 -0.014 0.000 1.038 138 K CA 0.331 56.609 56.287 -0.013 0.000 0.986 138 K CB -0.377 32.116 32.500 -0.010 0.000 0.782 138 K HN 0.390 nan 8.250 nan 0.000 0.485 139 N N 2.149 120.841 118.700 -0.014 0.000 2.469 139 N HA 0.023 4.765 4.740 0.003 0.000 0.239 139 N C 0.137 175.637 175.510 -0.017 0.000 1.053 139 N CA 0.148 53.190 53.050 -0.013 0.000 0.937 139 N CB 0.765 39.245 38.487 -0.011 0.000 1.163 139 N HN 0.008 nan 8.380 nan 0.000 0.509 140 Q N 1.927 121.716 119.800 -0.018 0.000 2.515 140 Q HA 0.090 4.432 4.340 0.003 0.000 0.212 140 Q C 1.139 177.126 176.000 -0.020 0.000 0.970 140 Q CA 0.592 56.382 55.803 -0.021 0.000 0.941 140 Q CB 0.279 29.004 28.738 -0.021 0.000 0.998 140 Q HN 0.710 nan 8.270 nan 0.000 0.518 141 A N 0.197 123.007 122.820 -0.017 0.000 2.178 141 A HA -0.041 4.281 4.320 0.003 0.000 0.211 141 A C 0.791 178.364 177.584 -0.017 0.000 1.157 141 A CA 0.165 52.193 52.037 -0.015 0.000 0.780 141 A CB 0.233 19.226 19.000 -0.012 0.000 0.828 141 A HN 0.188 nan 8.150 nan 0.000 0.476 142 D N -0.682 119.707 120.400 -0.019 0.000 2.447 142 D HA 0.466 5.108 4.640 0.003 0.000 0.265 142 D C 0.009 176.292 176.300 -0.028 0.000 1.250 142 D CA 0.729 54.717 54.000 -0.020 0.000 1.046 142 D CB 1.431 42.221 40.800 -0.017 0.000 1.095 142 D HN 0.555 nan 8.370 nan 0.000 0.555 143 c N -1.360 117.223 118.600 -0.030 0.000 3.275 143 c HA 0.558 5.129 4.570 0.003 0.000 0.340 143 c C -0.794 173.275 174.090 -0.035 0.000 1.366 143 c CA -1.068 55.236 56.329 -0.042 0.000 1.227 143 c CB -0.231 42.251 42.510 -0.046 0.000 1.512 143 c HN 0.492 nan 8.230 nan 0.000 0.461 144 I N 2.503 123.045 120.570 -0.047 0.000 2.304 144 I HA 0.354 4.525 4.170 0.003 0.000 0.291 144 I C -2.116 174.005 176.117 0.007 0.000 1.018 144 I CA -1.661 59.623 61.300 -0.026 0.000 1.260 144 I CB 1.480 39.452 38.000 -0.047 0.000 1.390 144 I HN 0.463 nan 8.210 nan 0.000 0.475 145 P HA 0.015 nan 4.420 nan 0.000 0.262 145 P C -1.043 176.356 177.300 0.166 0.000 1.182 145 P CA 0.435 63.567 63.100 0.053 0.000 0.761 145 P CB 0.196 31.942 31.700 0.075 0.000 0.795 146 F N 4.066 123.974 119.950 -0.070 0.000 2.605 146 F HA 0.471 5.000 4.527 0.003 0.000 0.320 146 F C -1.641 174.163 175.800 0.008 0.000 1.159 146 F CA -0.851 57.171 58.000 0.036 0.000 0.999 146 F CB 0.949 39.934 39.000 -0.025 0.000 1.258 146 F HN 0.062 nan 8.300 nan 0.000 0.464 147 F N 5.245 125.081 119.950 -0.190 0.000 2.415 147 F HA 0.548 5.076 4.527 0.003 0.000 0.348 147 F C 0.616 176.329 175.800 -0.146 0.000 1.119 147 F CA -0.734 57.224 58.000 -0.070 0.000 1.069 147 F CB 1.152 40.093 39.000 -0.099 0.000 1.124 147 F HN 0.280 nan 8.300 nan 0.000 0.472 148 R N 1.736 122.426 120.500 0.317 0.000 2.623 148 R HA 0.173 4.515 4.340 0.003 0.000 0.271 148 R C 0.459 176.867 176.300 0.180 0.000 1.043 148 R CA -0.130 56.171 56.100 0.336 0.000 1.083 148 R CB 0.488 30.956 30.300 0.280 0.000 0.974 148 R HN 0.660 nan 8.270 nan 0.000 0.436 152 A N 0.750 123.558 122.820 -0.021 0.000 1.933 152 A HA 0.008 4.329 4.320 0.003 0.000 0.218 152 A C 0.965 178.546 177.584 -0.005 0.000 1.175 152 A CA 1.709 53.739 52.037 -0.012 0.000 0.628 152 A CB -0.375 18.617 19.000 -0.013 0.000 0.814 152 A HN 0.713 nan 8.150 nan 0.000 0.444 153 C N 1.221 120.518 119.300 -0.005 0.000 2.816 153 C HA 0.551 5.013 4.460 0.003 0.000 0.255 153 C C -2.834 172.156 174.990 -0.001 0.000 1.141 153 C CA -2.515 56.502 59.018 -0.001 0.000 1.554 153 C CB -0.636 27.103 27.740 -0.000 0.000 1.778 153 C HN 0.288 nan 8.230 nan 0.000 0.429 154 P HA 0.244 nan 4.420 nan 0.000 0.262 154 P C 0.979 178.281 177.300 0.003 0.000 1.182 154 P CA 1.889 64.991 63.100 0.004 0.000 0.761 154 P CB 0.404 32.107 31.700 0.006 0.000 0.795 155 G N 2.100 110.901 108.800 0.003 0.000 2.189 155 G HA2 -0.299 3.663 3.960 0.003 0.000 0.267 155 G HA3 -0.299 3.663 3.960 0.003 0.000 0.267 155 G C 0.554 175.454 174.900 0.001 0.000 0.975 155 G CA 0.340 45.441 45.100 0.002 0.000 0.644 155 G HN 0.789 nan 8.290 nan 0.000 0.537 156 S N 0.121 115.821 115.700 0.000 0.000 2.537 156 S HA 0.355 4.827 4.470 0.003 0.000 0.286 156 S C 1.055 175.654 174.600 -0.001 0.000 1.299 156 S CA 0.209 58.409 58.200 0.000 0.000 1.067 156 S CB 0.332 63.532 63.200 0.000 0.000 0.864 156 S HN 0.292 nan 8.310 nan 0.000 0.494 157 N N 4.370 123.069 118.700 -0.000 0.000 2.279 157 N HA 0.334 5.076 4.740 0.003 0.000 0.226 157 N C 0.387 175.896 175.510 -0.000 0.000 1.126 157 N CA 0.113 53.162 53.050 -0.001 0.000 0.846 157 N CB 0.104 38.591 38.487 -0.001 0.000 1.050 157 N HN 0.619 nan 8.380 nan 0.000 0.502 158 I N -1.172 119.398 120.570 0.000 0.000 3.878 158 I HA 0.007 4.179 4.170 0.003 0.000 0.273 158 I C 0.639 176.756 176.117 0.001 0.000 1.165 158 I CA 0.301 61.602 61.300 0.001 0.000 1.360 158 I CB 0.155 38.156 38.000 0.002 0.000 1.539 158 I HN -0.022 nan 8.210 nan 0.000 0.447 159 T N 0.993 115.548 114.554 0.001 0.000 2.904 159 T HA 0.485 4.837 4.350 0.003 0.000 0.290 159 T C -0.116 174.584 174.700 0.000 0.000 1.018 159 T CA -0.358 61.743 62.100 0.001 0.000 1.075 159 T CB 1.154 70.023 68.868 0.001 0.000 0.986 159 T HN 0.022 nan 8.240 nan 0.000 0.523 160 I N 2.326 122.897 120.570 0.002 0.000 2.452 160 I HA 0.213 4.384 4.170 0.003 0.000 0.287 160 I C 1.292 177.408 176.117 -0.000 0.000 1.079 160 I CA -0.602 60.699 61.300 0.002 0.000 1.387 160 I CB 0.558 38.561 38.000 0.006 0.000 1.404 160 I HN 0.663 nan 8.210 nan 0.000 0.522 161 R N 5.147 125.646 120.500 -0.003 0.000 2.523 161 R HA -0.048 4.293 4.340 0.003 0.000 0.281 161 R C -0.431 175.859 176.300 -0.017 0.000 0.969 161 R CA 0.470 56.564 56.100 -0.010 0.000 1.093 161 R CB 0.228 30.521 30.300 -0.012 0.000 0.917 161 R HN 0.610 nan 8.270 nan 0.000 0.408 162 N N 1.910 120.592 118.700 -0.030 0.000 2.380 162 N HA 0.237 4.979 4.740 0.003 0.000 0.290 162 N C -1.510 173.945 175.510 -0.093 0.000 1.236 162 N CA -0.629 52.392 53.050 -0.049 0.000 0.780 162 N CB 1.783 40.255 38.487 -0.024 0.000 1.438 162 N HN 0.462 nan 8.380 nan 0.000 0.491 163 Q N 0.175 119.883 119.800 -0.154 0.000 2.195 163 Q HA 0.620 4.962 4.340 0.003 0.000 0.250 163 Q C -0.500 175.454 176.000 -0.077 0.000 0.988 163 Q CA -0.380 55.309 55.803 -0.189 0.000 0.911 163 Q CB 1.615 30.057 28.738 -0.493 0.000 1.258 163 Q HN 0.521 nan 8.270 nan 0.000 0.475 164 I N 0.991 121.535 120.570 -0.043 0.000 2.441 164 I HA 0.338 4.510 4.170 0.003 0.000 0.295 164 I C -0.432 175.696 176.117 0.019 0.000 0.994 164 I CA -0.991 60.305 61.300 -0.007 0.000 1.144 164 I CB 1.546 39.544 38.000 -0.003 0.000 1.314 164 I HN 0.425 nan 8.210 nan 0.000 0.445 165 N N 4.156 122.868 118.700 0.020 0.000 2.426 165 N HA 0.351 5.093 4.740 0.003 0.000 0.257 165 N C 0.316 175.841 175.510 0.025 0.000 1.002 165 N CA -0.221 52.846 53.050 0.029 0.000 0.942 165 N CB 1.871 40.365 38.487 0.013 0.000 1.112 165 N HN 0.753 nan 8.380 nan 0.000 0.499 166 A N 4.245 127.086 122.820 0.034 0.000 2.238 166 A HA 0.227 4.549 4.320 0.003 0.000 0.208 166 A C 0.557 178.166 177.584 0.041 0.000 1.177 166 A CA 0.413 52.469 52.037 0.032 0.000 0.804 166 A CB -0.097 18.921 19.000 0.030 0.000 0.823 166 A HN 0.617 nan 8.150 nan 0.000 0.482 167 L N -0.708 120.540 121.223 0.042 0.000 2.303 167 L HA 0.416 4.758 4.340 0.003 0.000 0.266 167 L C 0.555 177.446 176.870 0.034 0.000 1.011 167 L CA -0.916 53.955 54.840 0.052 0.000 0.818 167 L CB 1.628 43.726 42.059 0.065 0.000 1.326 167 L HN 0.176 nan 8.230 nan 0.000 0.435 168 T N -2.652 111.939 114.554 0.060 0.000 2.901 168 T HA 0.058 4.410 4.350 0.003 0.000 0.301 168 T C 1.111 175.785 174.700 -0.044 0.000 1.012 168 T CA -0.132 61.999 62.100 0.051 0.000 1.135 168 T CB 1.118 70.102 68.868 0.193 0.000 0.936 168 T HN 0.769 nan 8.240 nan 0.000 0.539 169 S N 2.329 117.874 115.700 -0.258 0.000 2.428 169 S HA 0.033 4.505 4.470 0.003 0.000 0.230 169 S C 0.487 174.905 174.600 -0.302 0.000 1.014 169 S CA -0.273 57.713 58.200 -0.358 0.000 0.957 169 S CB -0.812 62.070 63.200 -0.529 0.000 0.784 169 S HN 0.635 nan 8.310 nan 0.000 0.499 170 F N 2.264 122.251 119.950 0.061 0.000 2.553 170 F HA 0.236 4.764 4.527 0.002 0.000 0.356 170 F C 0.655 176.540 175.800 0.141 0.000 1.142 170 F CA -1.037 57.031 58.000 0.114 0.000 1.322 170 F CB 0.240 39.317 39.000 0.128 0.000 1.126 170 F HN -0.157 nan 8.300 nan 0.000 0.599 171 V N 3.304 123.462 119.914 0.407 0.000 2.229 171 V HA 0.074 4.195 4.120 0.003 0.000 0.245 171 V C -0.001 176.271 176.094 0.296 0.000 1.243 171 V CA -0.007 62.507 62.300 0.356 0.000 1.176 171 V CB -0.819 31.295 31.823 0.486 0.000 1.323 171 V HN 0.776 nan 8.190 nan 0.000 0.499 172 D N 2.765 123.313 120.400 0.247 0.000 2.620 172 D HA 0.286 4.928 4.640 0.003 0.000 0.260 172 D C 0.913 177.324 176.300 0.186 0.000 1.367 172 D CA 0.070 54.178 54.000 0.179 0.000 0.805 172 D CB 0.427 41.325 40.800 0.164 0.000 1.096 172 D HN 0.562 nan 8.370 nan 0.000 0.488 173 A N 0.859 123.801 122.820 0.204 0.000 2.832 173 A HA -0.271 4.050 4.320 0.003 0.000 0.280 173 A C 1.808 179.560 177.584 0.280 0.000 1.464 173 A CA 1.234 53.409 52.037 0.230 0.000 0.804 173 A CB -2.620 16.570 19.000 0.317 0.000 1.020 173 A HN 0.823 nan 8.150 nan 0.000 0.563 174 S N -0.497 115.340 115.700 0.228 0.000 2.469 174 S HA -0.184 4.287 4.470 0.003 0.000 0.238 174 S C 1.788 176.488 174.600 0.166 0.000 0.998 174 S CA 1.498 59.827 58.200 0.215 0.000 0.957 174 S CB -0.533 62.771 63.200 0.173 0.000 0.764 174 S HN 1.556 nan 8.310 nan 0.000 0.514 175 M N 0.704 120.390 119.600 0.144 0.000 2.562 175 M HA 0.189 4.671 4.480 0.003 0.000 0.257 175 M C 1.474 177.864 176.300 0.151 0.000 1.099 175 M CA 0.811 56.214 55.300 0.171 0.000 1.099 175 M CB -1.318 31.385 32.600 0.171 0.000 1.427 175 M HN 0.219 nan 8.290 nan 0.000 0.489 176 V N -0.044 119.865 119.914 -0.007 0.000 2.436 176 V HA -0.111 4.010 4.120 0.003 0.000 0.240 176 V C 1.816 177.665 176.094 -0.408 0.000 1.040 176 V CA 1.219 63.356 62.300 -0.271 0.000 1.052 176 V CB -0.816 30.655 31.823 -0.586 0.000 0.707 176 V HN 0.309 nan 8.190 nan 0.000 0.469 177 Y N 0.878 121.205 120.300 0.044 0.000 2.510 177 Y HA 0.524 5.076 4.550 0.003 0.000 0.273 177 Y C 1.394 177.338 175.900 0.073 0.000 1.119 177 Y CA 0.465 58.599 58.100 0.056 0.000 1.286 177 Y CB -0.136 38.353 38.460 0.047 0.000 1.061 177 Y HN 0.353 nan 8.280 nan 0.000 0.542 178 G N -0.269 108.633 108.800 0.170 0.000 2.690 178 G HA2 -0.165 3.796 3.960 0.003 0.000 0.686 178 G HA3 -0.165 3.796 3.960 0.003 0.000 0.686 178 G C 0.239 175.220 174.900 0.134 0.000 1.277 178 G CA -0.200 44.977 45.100 0.127 0.000 0.799 178 G HN 0.057 nan 8.290 nan 0.000 0.613 179 S N 0.515 116.277 115.700 0.103 0.000 2.554 179 S HA 0.306 4.778 4.470 0.003 0.000 0.226 179 S C 0.453 175.098 174.600 0.075 0.000 0.980 179 S CA 0.541 58.798 58.200 0.095 0.000 0.939 179 S CB 0.316 63.569 63.200 0.087 0.000 0.832 179 S HN 0.587 nan 8.310 nan 0.000 0.486 180 E N 0.494 120.734 120.200 0.066 0.000 2.293 180 E HA 0.267 4.618 4.350 0.003 0.000 0.270 180 E C -0.213 176.415 176.600 0.046 0.000 0.879 180 E CA -0.406 56.024 56.400 0.050 0.000 0.756 180 E CB 1.628 31.351 29.700 0.039 0.000 1.208 180 E HN 0.067 nan 8.360 nan 0.000 0.428 181 E N 1.706 121.928 120.200 0.036 0.000 2.085 181 E HA -0.182 4.170 4.350 0.003 0.000 0.194 181 E C -1.038 175.572 176.600 0.016 0.000 0.994 181 E CA 1.462 57.878 56.400 0.026 0.000 0.801 181 E CB -0.651 29.059 29.700 0.017 0.000 0.743 181 E HN 0.336 nan 8.360 nan 0.000 0.453 182 P HA -0.194 nan 4.420 nan 0.000 0.214 182 P C 1.540 178.848 177.300 0.013 0.000 1.163 182 P CA 0.875 63.981 63.100 0.011 0.000 0.883 182 P CB -0.009 31.699 31.700 0.013 0.000 0.788 183 L N -0.090 121.147 121.223 0.023 0.000 1.989 183 L HA -0.151 4.191 4.340 0.003 0.000 0.211 183 L C 2.250 179.140 176.870 0.033 0.000 1.071 183 L CA 2.354 57.211 54.840 0.029 0.000 0.749 183 L CB -1.648 40.433 42.059 0.037 0.000 0.890 183 L HN -0.096 nan 8.230 nan 0.000 0.431 184 A N -0.382 122.467 122.820 0.049 0.000 1.986 184 A HA -0.290 4.031 4.320 0.003 0.000 0.220 184 A C 2.536 180.122 177.584 0.003 0.000 1.171 184 A CA 2.059 54.139 52.037 0.072 0.000 0.640 184 A CB -0.715 18.349 19.000 0.105 0.000 0.811 184 A HN 0.602 nan 8.150 nan 0.000 0.451 185 R N -0.394 120.093 120.500 -0.021 0.000 2.057 185 R HA -0.102 4.239 4.340 0.003 0.000 0.229 185 R C 1.686 177.962 176.300 -0.040 0.000 1.136 185 R CA 1.522 57.588 56.100 -0.058 0.000 0.952 185 R CB -0.338 29.937 30.300 -0.042 0.000 0.848 185 R HN 0.470 nan 8.270 nan 0.000 0.430 186 N N 0.809 119.502 118.700 -0.013 0.000 2.364 186 N HA -0.137 4.605 4.740 0.003 0.000 0.183 186 N C 1.540 177.049 175.510 -0.001 0.000 1.022 186 N CA 1.012 54.060 53.050 -0.003 0.000 0.883 186 N CB -0.043 38.450 38.487 0.010 0.000 0.965 186 N HN 0.332 nan 8.380 nan 0.000 0.438 187 L N -0.006 121.217 121.223 -0.000 0.000 2.554 187 L HA 0.070 4.411 4.340 0.003 0.000 0.226 187 L C 0.733 177.599 176.870 -0.006 0.000 1.137 187 L CA 0.278 55.119 54.840 0.001 0.000 0.863 187 L CB 0.071 42.135 42.059 0.008 0.000 0.985 187 L HN -0.059 nan 8.230 nan 0.000 0.451 188 R N 0.271 120.752 120.500 -0.030 0.000 2.536 188 R HA 0.191 4.533 4.340 0.003 0.000 0.279 188 R C 0.003 176.292 176.300 -0.018 0.000 1.001 188 R CA -0.733 55.341 56.100 -0.043 0.000 1.027 188 R CB 0.694 30.887 30.300 -0.179 0.000 1.096 188 R HN -0.135 nan 8.270 nan 0.000 0.502 189 N N 2.628 121.336 118.700 0.013 0.000 2.415 189 N HA 0.041 4.783 4.740 0.003 0.000 0.246 189 N C -0.476 175.037 175.510 0.005 0.000 1.078 189 N CA 0.050 53.111 53.050 0.018 0.000 0.942 189 N CB 0.704 39.217 38.487 0.043 0.000 1.140 189 N HN 0.442 nan 8.380 nan 0.000 0.501 190 M N 1.972 121.567 119.600 -0.008 0.000 2.866 190 M HA 0.171 4.652 4.480 0.003 0.000 0.319 190 M C 0.455 176.754 176.300 -0.002 0.000 1.244 190 M CA -0.075 55.216 55.300 -0.015 0.000 0.974 190 M CB -0.726 31.857 32.600 -0.030 0.000 1.291 190 M HN 0.259 nan 8.290 nan 0.000 0.513 191 S N 0.998 116.703 115.700 0.008 0.000 2.559 191 S HA 0.161 4.633 4.470 0.003 0.000 0.226 191 S C 0.405 175.014 174.600 0.015 0.000 1.000 191 S CA -0.338 57.868 58.200 0.010 0.000 0.948 191 S CB 0.125 63.332 63.200 0.011 0.000 0.870 191 S HN 0.738 nan 8.310 nan 0.000 0.497 192 N N -0.413 118.299 118.700 0.020 0.000 3.277 192 N HA 0.221 4.962 4.740 0.003 0.000 0.278 192 N C -1.136 174.394 175.510 0.033 0.000 1.544 192 N CA -0.741 52.325 53.050 0.026 0.000 0.869 192 N CB 0.288 38.793 38.487 0.030 0.000 1.584 192 N HN -0.331 nan 8.380 nan 0.000 0.564 193 Q N -0.018 119.807 119.800 0.041 0.000 2.237 193 Q HA 0.377 4.718 4.340 0.003 0.000 0.252 193 Q C 0.216 176.259 176.000 0.072 0.000 0.877 193 Q CA 0.027 55.861 55.803 0.052 0.000 1.011 193 Q CB -0.097 28.672 28.738 0.051 0.000 1.118 193 Q HN 0.646 nan 8.270 nan 0.000 0.458 194 L N -1.349 119.919 121.223 0.074 0.000 2.567 194 L HA 0.191 4.533 4.340 0.003 0.000 0.225 194 L C 1.057 178.000 176.870 0.121 0.000 1.119 194 L CA 0.392 55.284 54.840 0.087 0.000 0.871 194 L CB 0.031 42.132 42.059 0.071 0.000 1.036 194 L HN 0.362 nan 8.230 nan 0.000 0.459 195 G N 1.329 110.216 108.800 0.145 0.000 2.198 195 G HA2 -0.272 3.689 3.960 0.003 0.000 0.260 195 G HA3 -0.272 3.689 3.960 0.003 0.000 0.260 195 G C 0.154 175.276 174.900 0.371 0.000 1.025 195 G CA 0.126 45.371 45.100 0.242 0.000 0.769 195 G HN 0.257 nan 8.290 nan 0.000 0.507 196 L N -0.892 120.492 121.223 0.269 0.000 2.439 196 L HA 0.639 4.981 4.340 0.003 0.000 0.259 196 L C 1.206 178.239 176.870 0.272 0.000 1.129 196 L CA -1.118 53.908 54.840 0.310 0.000 0.803 196 L CB 0.801 42.963 42.059 0.172 0.000 1.161 196 L HN 0.004 nan 8.230 nan 0.000 0.462 197 L N 1.298 122.657 121.223 0.228 0.000 2.350 197 L HA 0.439 4.780 4.340 0.003 0.000 0.275 197 L C 0.505 177.405 176.870 0.051 0.000 1.099 197 L CA -0.469 54.412 54.840 0.069 0.000 0.808 197 L CB 1.361 43.384 42.059 -0.059 0.000 1.149 197 L HN 0.702 nan 8.230 nan 0.000 0.442 198 A N 3.011 125.844 122.820 0.023 0.000 2.462 198 A HA 0.455 4.776 4.320 0.003 0.000 0.243 198 A C -0.046 177.541 177.584 0.004 0.000 1.076 198 A CA -0.284 51.763 52.037 0.017 0.000 0.773 198 A CB 0.392 19.399 19.000 0.011 0.000 1.010 198 A HN 0.588 nan 8.150 nan 0.000 0.493 199 V N 1.237 121.154 119.914 0.004 0.000 3.177 199 V HA 0.497 4.619 4.120 0.003 0.000 0.319 199 V C 0.455 176.538 176.094 -0.019 0.000 1.125 199 V CA -1.376 60.916 62.300 -0.012 0.000 1.029 199 V CB 1.456 33.274 31.823 -0.008 0.000 1.119 199 V HN 0.894 nan 8.190 nan 0.000 0.452 200 N N 1.710 120.386 118.700 -0.040 0.000 2.454 200 N HA 0.040 4.782 4.740 0.003 0.000 0.260 200 N C 0.162 175.663 175.510 -0.015 0.000 1.218 200 N CA 0.146 53.160 53.050 -0.060 0.000 0.904 200 N CB 0.927 39.360 38.487 -0.089 0.000 1.065 200 N HN 0.743 nan 8.380 nan 0.000 0.462 201 Q N 2.978 122.774 119.800 -0.007 0.000 2.204 201 Q HA 0.154 4.496 4.340 0.003 0.000 0.209 201 Q C 0.356 176.338 176.000 -0.029 0.000 0.861 201 Q CA 0.152 55.953 55.803 -0.004 0.000 0.971 201 Q CB 0.595 29.337 28.738 0.007 0.000 1.095 201 Q HN 0.635 nan 8.270 nan 0.000 0.486 202 R N -1.418 119.056 120.500 -0.044 0.000 2.612 202 R HA 0.267 4.609 4.340 0.003 0.000 0.260 202 R C -0.311 175.700 176.300 -0.482 0.000 0.943 202 R CA 0.256 56.221 56.100 -0.226 0.000 1.036 202 R CB 1.194 31.402 30.300 -0.152 0.000 1.520 202 R HN -0.060 nan 8.270 nan 0.000 0.563 203 F N 0.761 120.738 119.950 0.045 0.000 2.631 203 F HA 0.430 4.958 4.527 0.003 0.000 0.308 203 F C -0.514 175.294 175.800 0.014 0.000 1.097 203 F CA -0.813 57.218 58.000 0.052 0.000 0.952 203 F CB 2.167 41.229 39.000 0.103 0.000 1.307 203 F HN -0.305 nan 8.300 nan 0.000 0.450 204 Q N 0.389 120.327 119.800 0.230 0.000 2.423 204 Q HA 0.328 4.669 4.340 0.003 0.000 0.278 204 Q C -1.821 174.238 176.000 0.099 0.000 1.097 204 Q CA -1.106 54.766 55.803 0.116 0.000 0.809 204 Q CB 3.043 31.821 28.738 0.067 0.000 1.391 204 Q HN 0.475 nan 8.270 nan 0.000 0.428 205 D N 1.916 122.342 120.400 0.043 0.000 2.499 205 D HA 0.109 4.751 4.640 0.003 0.000 0.225 205 D C -0.649 175.657 176.300 0.011 0.000 1.124 205 D CA -0.130 53.881 54.000 0.018 0.000 0.938 205 D CB -0.182 40.608 40.800 -0.018 0.000 1.014 205 D HN 0.483 nan 8.370 nan 0.000 0.517 206 N N 3.197 121.910 118.700 0.022 0.000 2.714 206 N HA -0.207 4.535 4.740 0.003 0.000 0.252 206 N C 1.044 176.560 175.510 0.011 0.000 1.014 206 N CA 1.353 54.411 53.050 0.014 0.000 0.735 206 N CB -1.199 37.288 38.487 -0.000 0.000 0.924 206 N HN 0.788 nan 8.380 nan 0.000 0.540 207 G N -1.570 107.241 108.800 0.018 0.000 2.234 207 G HA2 -0.331 3.631 3.960 0.003 0.000 0.235 207 G HA3 -0.331 3.631 3.960 0.003 0.000 0.235 207 G C 0.233 175.138 174.900 0.009 0.000 0.997 207 G CA 0.422 45.529 45.100 0.013 0.000 0.623 207 G HN 0.564 nan 8.290 nan 0.000 0.514 208 R N 0.642 121.144 120.500 0.004 0.000 2.596 208 R HA 0.737 5.079 4.340 0.003 0.000 0.267 208 R C 0.552 176.849 176.300 -0.005 0.000 1.026 208 R CA -0.073 56.025 56.100 -0.004 0.000 1.087 208 R CB 1.004 31.295 30.300 -0.015 0.000 1.132 208 R HN 0.487 nan 8.270 nan 0.000 0.531 209 A N 1.926 124.737 122.820 -0.014 0.000 2.388 209 A HA 0.386 4.707 4.320 0.003 0.000 0.257 209 A C -0.244 177.307 177.584 -0.054 0.000 1.095 209 A CA -0.343 51.681 52.037 -0.021 0.000 0.791 209 A CB 0.255 19.245 19.000 -0.016 0.000 1.029 209 A HN 0.519 nan 8.150 nan 0.000 0.489 210 L N 1.244 122.430 121.223 -0.062 0.000 2.335 210 L HA 0.468 4.810 4.340 0.003 0.000 0.268 210 L C -0.098 176.674 176.870 -0.163 0.000 1.016 210 L CA -0.842 53.912 54.840 -0.143 0.000 0.805 210 L CB 1.145 43.147 42.059 -0.094 0.000 1.311 210 L HN 0.608 nan 8.230 nan 0.000 0.456 211 L N 2.414 123.456 121.223 -0.302 0.000 2.439 211 L HA 0.242 4.584 4.340 0.003 0.000 0.269 211 L C -2.016 174.852 176.870 -0.004 0.000 1.179 211 L CA -1.629 53.105 54.840 -0.177 0.000 0.828 211 L CB 0.189 42.074 42.059 -0.292 0.000 1.106 211 L HN 0.315 nan 8.230 nan 0.000 0.467 212 P HA 0.029 nan 4.420 nan 0.000 0.272 212 P C -0.695 176.642 177.300 0.061 0.000 1.230 212 P CA -0.047 63.046 63.100 -0.011 0.000 0.788 212 P CB 0.457 32.172 31.700 0.026 0.000 0.949 213 F N 0.245 120.287 119.950 0.153 0.000 2.406 213 F HA 0.141 4.670 4.527 0.003 0.000 0.327 213 F C 1.585 177.405 175.800 0.033 0.000 1.153 213 F CA 0.028 58.054 58.000 0.044 0.000 1.218 213 F CB 0.495 39.497 39.000 0.003 0.000 1.215 213 F HN 0.249 nan 8.300 nan 0.000 0.570 214 D N 0.760 121.303 120.400 0.239 0.000 2.385 214 D HA 0.081 4.723 4.640 0.003 0.000 0.254 214 D C -1.074 175.276 176.300 0.083 0.000 1.053 214 D CA -0.379 53.698 54.000 0.128 0.000 0.992 214 D CB 1.170 42.025 40.800 0.092 0.000 1.145 214 D HN 0.349 nan 8.370 nan 0.000 0.523 215 N N 2.350 121.089 118.700 0.065 0.000 2.707 215 N HA 0.219 4.960 4.740 0.003 0.000 0.235 215 N C -1.164 174.391 175.510 0.074 0.000 1.028 215 N CA -0.258 52.817 53.050 0.042 0.000 0.906 215 N CB 0.084 38.593 38.487 0.036 0.000 1.131 215 N HN 0.333 nan 8.380 nan 0.000 0.509 216 L N 2.707 123.961 121.223 0.052 0.000 2.317 216 L HA 0.355 4.697 4.340 0.003 0.000 0.281 216 L C 1.332 178.275 176.870 0.121 0.000 1.024 216 L CA -0.903 53.998 54.840 0.102 0.000 0.810 216 L CB 1.330 43.397 42.059 0.013 0.000 1.240 216 L HN 0.400 nan 8.230 nan 0.000 0.427 217 H N 0.334 119.368 119.070 -0.059 0.000 2.387 217 H HA -0.084 4.474 4.556 0.003 0.000 0.299 217 H C 0.041 175.329 175.328 -0.067 0.000 1.090 217 H CA 1.286 57.300 56.048 -0.056 0.000 1.332 217 H CB -0.009 29.724 29.762 -0.049 0.000 1.386 217 H HN 0.585 nan 8.280 nan 0.000 0.516 218 D N -0.208 120.220 120.400 0.046 0.000 2.895 218 D HA 0.021 4.663 4.640 0.003 0.000 0.350 218 D C -0.770 175.478 176.300 -0.086 0.000 1.389 218 D CA -0.232 53.750 54.000 -0.031 0.000 0.812 218 D CB 0.191 40.966 40.800 -0.041 0.000 1.164 218 D HN 0.205 nan 8.370 nan 0.000 0.455 219 D N 2.128 122.481 120.400 -0.079 0.000 3.061 219 D HA -0.101 4.541 4.640 0.003 0.000 0.226 219 D C -1.050 175.159 176.300 -0.153 0.000 1.168 219 D CA -0.329 53.604 54.000 -0.112 0.000 0.822 219 D CB 1.275 42.016 40.800 -0.098 0.000 1.152 219 D HN 0.138 nan 8.370 nan 0.000 0.555 220 P HA -0.080 nan 4.420 nan 0.000 0.220 220 P C 1.603 178.808 177.300 -0.158 0.000 1.152 220 P CA 0.331 63.232 63.100 -0.332 0.000 0.812 220 P CB 0.057 31.275 31.700 -0.804 0.000 0.792 221 c N 0.036 118.597 118.600 -0.067 0.000 2.413 221 c HA -0.087 4.485 4.570 0.003 0.000 0.276 221 c C 3.003 177.111 174.090 0.031 0.000 1.248 221 c CA 0.548 56.917 56.329 0.067 0.000 1.742 221 c CB -1.890 40.649 42.510 0.048 0.000 2.017 221 c HN 0.177 nan 8.230 nan 0.000 0.481 222 L N 0.423 121.615 121.223 -0.053 0.000 2.079 222 L HA -0.173 4.168 4.340 0.003 0.000 0.210 222 L C 2.379 179.213 176.870 -0.060 0.000 1.081 222 L CA 1.401 56.195 54.840 -0.076 0.000 0.752 222 L CB -0.618 41.379 42.059 -0.102 0.000 0.896 222 L HN 0.412 nan 8.230 nan 0.000 0.433 223 L N -0.422 120.773 121.223 -0.046 0.000 2.456 223 L HA -0.112 4.229 4.340 0.003 0.000 0.224 223 L C 2.573 179.446 176.870 0.006 0.000 1.148 223 L CA 1.258 56.077 54.840 -0.034 0.000 0.825 223 L CB -0.938 41.097 42.059 -0.039 0.000 0.937 223 L HN 0.445 nan 8.230 nan 0.000 0.450 224 T N -3.915 110.678 114.554 0.066 0.000 3.055 224 T HA -0.053 4.299 4.350 0.003 0.000 0.265 224 T C 0.872 175.591 174.700 0.031 0.000 1.111 224 T CA 0.341 62.538 62.100 0.162 0.000 1.118 224 T CB -0.051 69.033 68.868 0.359 0.000 0.909 224 T HN 0.234 nan 8.240 nan 0.000 0.501 225 N N 0.296 118.890 118.700 -0.176 0.000 3.112 225 N HA 0.148 4.890 4.740 0.003 0.000 0.231 225 N C 0.359 175.677 175.510 -0.320 0.000 1.385 225 N CA -0.414 52.362 53.050 -0.457 0.000 0.790 225 N CB 1.051 38.779 38.487 -1.266 0.000 1.563 225 N HN -0.099 nan 8.380 nan 0.000 0.613 226 R N 0.369 120.741 120.500 -0.212 0.000 2.127 226 R HA -0.091 4.250 4.340 0.003 0.000 0.238 226 R C 1.746 177.949 176.300 -0.162 0.000 1.134 226 R CA 1.143 57.150 56.100 -0.154 0.000 0.975 226 R CB -0.794 29.439 30.300 -0.111 0.000 0.865 226 R HN 0.575 nan 8.270 nan 0.000 0.447 227 S N 0.857 116.436 115.700 -0.201 0.000 2.351 227 S HA -0.151 4.320 4.470 0.003 0.000 0.220 227 S C 2.109 176.610 174.600 -0.164 0.000 1.035 227 S CA 1.556 59.652 58.200 -0.174 0.000 1.031 227 S CB -0.237 62.845 63.200 -0.197 0.000 0.928 227 S HN 0.414 nan 8.310 nan 0.000 0.433 228 A N 1.153 123.829 122.820 -0.240 0.000 1.948 228 A HA -0.072 4.250 4.320 0.003 0.000 0.220 228 A C 1.296 178.824 177.584 -0.093 0.000 1.177 228 A CA 1.783 53.720 52.037 -0.167 0.000 0.636 228 A CB -0.724 18.133 19.000 -0.239 0.000 0.815 228 A HN 0.749 nan 8.150 nan 0.000 0.449 229 R N -2.051 118.375 120.500 -0.123 0.000 3.525 229 R HA -0.139 4.203 4.340 0.003 0.000 0.276 229 R C -0.945 175.258 176.300 -0.163 0.000 1.116 229 R CA 0.761 56.790 56.100 -0.118 0.000 0.745 229 R CB -1.917 28.334 30.300 -0.082 0.000 1.185 229 R HN 0.417 nan 8.270 nan 0.000 0.454 230 I N 2.011 122.480 120.570 -0.167 0.000 2.307 230 I HA 0.250 4.422 4.170 0.003 0.000 0.289 230 I C -1.213 174.684 176.117 -0.367 0.000 1.021 230 I CA -2.594 58.529 61.300 -0.294 0.000 1.224 230 I CB 0.633 38.577 38.000 -0.092 0.000 1.376 230 I HN -0.085 nan 8.210 nan 0.000 0.470 231 P HA 0.151 nan 4.420 nan 0.000 0.277 231 P C -0.208 176.890 177.300 -0.335 0.000 1.276 231 P CA -0.385 62.462 63.100 -0.421 0.000 0.788 231 P CB 0.792 32.226 31.700 -0.443 0.000 1.114 232 c N -0.379 118.124 118.600 -0.162 0.000 2.689 232 c HA 0.267 4.839 4.570 0.003 0.000 0.409 232 c C 0.966 175.022 174.090 -0.057 0.000 1.293 232 c CA -0.072 56.207 56.329 -0.084 0.000 2.136 232 c CB -1.541 40.989 42.510 0.032 0.000 2.719 232 c HN 0.347 nan 8.230 nan 0.000 0.644 233 F N 1.529 121.591 119.950 0.186 0.000 2.410 233 F HA 0.443 4.971 4.527 0.002 0.000 0.334 233 F C 0.355 176.183 175.800 0.048 0.000 1.134 233 F CA -0.423 57.653 58.000 0.126 0.000 1.227 233 F CB 0.334 39.345 39.000 0.019 0.000 1.194 233 F HN 0.291 nan 8.300 nan 0.000 0.571 234 L N 2.504 123.864 121.223 0.228 0.000 2.282 234 L HA 0.788 5.129 4.340 0.003 0.000 0.288 234 L C -0.460 176.435 176.870 0.041 0.000 1.033 234 L CA -0.113 54.791 54.840 0.107 0.000 0.807 234 L CB 0.461 42.578 42.059 0.097 0.000 1.209 234 L HN 0.708 nan 8.230 nan 0.000 0.423 235 A N 3.089 125.899 122.820 -0.015 0.000 2.533 235 A HA 0.657 4.979 4.320 0.003 0.000 0.293 235 A C 0.811 178.381 177.584 -0.023 0.000 1.228 235 A CA -0.098 51.898 52.037 -0.069 0.000 0.689 235 A CB 0.304 19.151 19.000 -0.255 0.000 1.303 235 A HN 0.816 nan 8.150 nan 0.000 0.444 236 G N -0.799 107.999 108.800 -0.002 0.000 2.442 236 G HA2 0.079 4.040 3.960 0.003 0.000 0.219 236 G HA3 0.079 4.040 3.960 0.003 0.000 0.219 236 G C 0.335 175.277 174.900 0.070 0.000 1.141 236 G CA 1.651 46.778 45.100 0.045 0.000 0.763 236 G HN 0.856 nan 8.290 nan 0.000 0.554 237 D N -1.918 118.530 120.400 0.081 0.000 2.269 237 D HA 0.415 5.056 4.640 0.003 0.000 0.244 237 D C 1.552 177.868 176.300 0.027 0.000 0.992 237 D CA 0.025 54.076 54.000 0.085 0.000 0.894 237 D CB 1.503 42.402 40.800 0.166 0.000 1.248 237 D HN -0.030 nan 8.370 nan 0.000 0.468 238 T N -0.047 114.532 114.554 0.041 0.000 3.160 238 T HA 0.062 4.413 4.350 0.003 0.000 0.257 238 T C 1.123 175.854 174.700 0.053 0.000 1.147 238 T CA 0.386 62.506 62.100 0.033 0.000 1.064 238 T CB -0.084 68.799 68.868 0.025 0.000 0.949 238 T HN 0.364 nan 8.240 nan 0.000 0.526 239 R N 1.134 121.672 120.500 0.063 0.000 2.507 239 R HA 0.265 4.607 4.340 0.003 0.000 0.298 239 R C 2.323 178.654 176.300 0.052 0.000 0.999 239 R CA 0.437 56.589 56.100 0.087 0.000 1.082 239 R CB 0.171 30.535 30.300 0.107 0.000 1.246 239 R HN 0.536 nan 8.270 nan 0.000 0.553 240 S N -0.329 115.340 115.700 -0.052 0.000 2.419 240 S HA -0.122 4.349 4.470 0.003 0.000 0.235 240 S C 1.587 176.200 174.600 0.022 0.000 1.019 240 S CA 1.389 59.474 58.200 -0.192 0.000 0.982 240 S CB -0.008 62.772 63.200 -0.701 0.000 0.789 240 S HN 0.128 nan 8.310 nan 0.000 0.490 241 S N 0.982 116.734 115.700 0.087 0.000 2.575 241 S HA 0.173 4.645 4.470 0.003 0.000 0.215 241 S C 1.557 176.108 174.600 -0.081 0.000 0.966 241 S CA 0.058 58.343 58.200 0.143 0.000 0.911 241 S CB -0.137 63.211 63.200 0.246 0.000 0.780 241 S HN 0.530 nan 8.310 nan 0.000 0.514 242 E N 2.000 122.055 120.200 -0.242 0.000 2.130 242 E HA -0.152 4.200 4.350 0.003 0.000 0.196 242 E C 0.663 177.070 176.600 -0.321 0.000 0.998 242 E CA 0.946 56.930 56.400 -0.693 0.000 0.806 242 E CB 0.048 29.528 29.700 -0.368 0.000 0.738 242 E HN 0.648 nan 8.360 nan 0.000 0.459 243 M N -3.175 116.384 119.600 -0.067 0.000 2.433 243 M HA 0.391 4.873 4.480 0.003 0.000 0.290 243 M C -2.579 173.724 176.300 0.005 0.000 1.173 243 M CA -1.881 53.428 55.300 0.015 0.000 0.905 243 M CB 2.353 35.014 32.600 0.102 0.000 1.692 243 M HN -0.409 nan 8.290 nan 0.000 0.462 244 P HA -0.134 nan 4.420 nan 0.000 0.218 244 P C 0.428 177.719 177.300 -0.015 0.000 1.148 244 P CA 1.644 64.724 63.100 -0.033 0.000 0.822 244 P CB 0.149 31.790 31.700 -0.097 0.000 0.784 245 E N -0.840 119.362 120.200 0.003 0.000 2.106 245 E HA -0.137 4.215 4.350 0.003 0.000 0.192 245 E C 1.821 178.443 176.600 0.037 0.000 0.984 245 E CA 0.673 57.088 56.400 0.025 0.000 0.806 245 E CB -1.123 28.608 29.700 0.051 0.000 0.750 245 E HN 0.153 nan 8.360 nan 0.000 0.458 246 L N 0.638 121.895 121.223 0.056 0.000 2.027 246 L HA -0.102 4.239 4.340 0.003 0.000 0.206 246 L C 1.940 178.896 176.870 0.144 0.000 1.074 246 L CA 1.945 56.841 54.840 0.093 0.000 0.745 246 L CB -0.921 41.212 42.059 0.122 0.000 0.898 246 L HN 0.062 nan 8.230 nan 0.000 0.433 247 T N -0.716 113.897 114.554 0.098 0.000 2.759 247 T HA -0.166 4.186 4.350 0.003 0.000 0.269 247 T C 1.960 176.643 174.700 -0.027 0.000 1.042 247 T CA 1.637 63.760 62.100 0.038 0.000 1.140 247 T CB -0.348 68.511 68.868 -0.014 0.000 0.864 247 T HN 0.424 nan 8.240 nan 0.000 0.455 248 S N 0.953 116.636 115.700 -0.029 0.000 2.383 248 S HA -0.014 4.457 4.470 0.003 0.000 0.227 248 S C 2.072 176.652 174.600 -0.033 0.000 1.026 248 S CA 0.870 59.040 58.200 -0.050 0.000 0.981 248 S CB -0.237 62.942 63.200 -0.036 0.000 0.818 248 S HN 0.317 nan 8.310 nan 0.000 0.472 249 M N 0.833 120.424 119.600 -0.015 0.000 2.132 249 M HA -0.017 4.465 4.480 0.003 0.000 0.263 249 M C 1.879 178.130 176.300 -0.081 0.000 1.065 249 M CA 1.403 56.674 55.300 -0.049 0.000 1.122 249 M CB -1.580 30.979 32.600 -0.067 0.000 1.365 249 M HN 0.360 nan 8.290 nan 0.000 0.411 250 H N -0.122 118.908 119.070 -0.065 0.000 2.352 250 H HA -0.073 4.485 4.556 0.002 0.000 0.299 250 H C 1.931 177.185 175.328 -0.123 0.000 1.097 250 H CA 2.058 58.053 56.048 -0.088 0.000 1.311 250 H CB -0.291 29.417 29.762 -0.091 0.000 1.377 250 H HN 0.342 nan 8.280 nan 0.000 0.504 251 T N 1.689 116.230 114.554 -0.020 0.000 2.746 251 T HA -0.123 4.229 4.350 0.003 0.000 0.267 251 T C 2.204 176.864 174.700 -0.067 0.000 1.039 251 T CA 0.849 62.890 62.100 -0.099 0.000 1.142 251 T CB -0.444 68.325 68.868 -0.165 0.000 0.866 251 T HN 0.060 nan 8.240 nan 0.000 0.444 252 L N 1.226 122.417 121.223 -0.054 0.000 1.970 252 L HA -0.013 4.328 4.340 0.003 0.000 0.212 252 L C 2.221 179.069 176.870 -0.036 0.000 1.071 252 L CA 1.703 56.517 54.840 -0.043 0.000 0.751 252 L CB -0.870 41.166 42.059 -0.038 0.000 0.889 252 L HN 0.247 nan 8.230 nan 0.000 0.432 253 L N -1.189 120.008 121.223 -0.043 0.000 2.083 253 L HA -0.210 4.132 4.340 0.003 0.000 0.209 253 L C 2.532 179.387 176.870 -0.025 0.000 1.083 253 L CA 1.131 55.950 54.840 -0.036 0.000 0.752 253 L CB -0.734 41.288 42.059 -0.060 0.000 0.899 253 L HN 0.411 nan 8.230 nan 0.000 0.433 254 L N 0.138 121.333 121.223 -0.048 0.000 2.012 254 L HA -0.234 4.108 4.340 0.003 0.000 0.210 254 L C 2.733 179.613 176.870 0.017 0.000 1.073 254 L CA 1.786 56.599 54.840 -0.046 0.000 0.748 254 L CB -0.420 41.600 42.059 -0.066 0.000 0.891 254 L HN 0.077 nan 8.230 nan 0.000 0.431 255 R N -0.590 119.908 120.500 -0.003 0.000 2.075 255 R HA -0.185 4.157 4.340 0.003 0.000 0.232 255 R C 2.273 178.584 176.300 0.019 0.000 1.126 255 R CA 1.346 57.450 56.100 0.006 0.000 0.963 255 R CB -0.477 29.813 30.300 -0.017 0.000 0.858 255 R HN 0.436 nan 8.270 nan 0.000 0.435 256 E N 0.483 120.690 120.200 0.012 0.000 2.085 256 E HA -0.248 4.104 4.350 0.003 0.000 0.194 256 E C 1.738 178.349 176.600 0.019 0.000 0.994 256 E CA 1.784 58.183 56.400 -0.002 0.000 0.801 256 E CB -0.230 29.462 29.700 -0.013 0.000 0.743 256 E HN 0.440 nan 8.360 nan 0.000 0.453 257 H N -0.140 118.925 119.070 -0.008 0.000 2.290 257 H HA -0.094 4.464 4.556 0.002 0.000 0.298 257 H C 1.687 177.032 175.328 0.028 0.000 1.087 257 H CA 2.387 58.455 56.048 0.032 0.000 1.291 257 H CB -0.183 29.620 29.762 0.069 0.000 1.369 257 H HN 0.154 nan 8.280 nan 0.000 0.492 258 N N 0.165 118.943 118.700 0.130 0.000 2.166 258 N HA -0.140 4.601 4.740 0.003 0.000 0.186 258 N C 2.038 177.538 175.510 -0.016 0.000 1.019 258 N CA 1.146 54.240 53.050 0.074 0.000 0.856 258 N CB -0.389 38.157 38.487 0.099 0.000 0.993 258 N HN 0.416 nan 8.380 nan 0.000 0.426 259 R N 0.754 121.237 120.500 -0.028 0.000 2.073 259 R HA -0.008 4.334 4.340 0.003 0.000 0.234 259 R C 2.092 178.339 176.300 -0.088 0.000 1.134 259 R CA 0.902 56.973 56.100 -0.050 0.000 0.952 259 R CB -0.355 29.916 30.300 -0.049 0.000 0.850 259 R HN 0.165 nan 8.270 nan 0.000 0.433 260 L N 0.425 121.570 121.223 -0.130 0.000 2.012 260 L HA -0.167 4.175 4.340 0.003 0.000 0.210 260 L C 2.738 179.512 176.870 -0.159 0.000 1.073 260 L CA 1.487 56.220 54.840 -0.180 0.000 0.748 260 L CB -0.521 41.402 42.059 -0.227 0.000 0.891 260 L HN 0.341 nan 8.230 nan 0.000 0.431 261 A N -0.847 121.862 122.820 -0.185 0.000 1.940 261 A HA -0.213 4.108 4.320 0.003 0.000 0.219 261 A C 2.337 179.905 177.584 -0.027 0.000 1.176 261 A CA 2.374 54.346 52.037 -0.110 0.000 0.631 261 A CB -0.853 18.074 19.000 -0.123 0.000 0.814 261 A HN 0.420 nan 8.150 nan 0.000 0.446 262 T N -0.320 114.213 114.554 -0.036 0.000 2.701 262 T HA -0.108 4.244 4.350 0.003 0.000 0.263 262 T C 1.799 176.483 174.700 -0.026 0.000 1.040 262 T CA 1.506 63.596 62.100 -0.016 0.000 1.147 262 T CB -0.243 68.615 68.868 -0.017 0.000 0.865 262 T HN 0.634 nan 8.240 nan 0.000 0.426 263 E N 0.672 120.840 120.200 -0.053 0.000 2.110 263 E HA -0.057 4.294 4.350 0.003 0.000 0.193 263 E C 2.197 178.761 176.600 -0.061 0.000 0.988 263 E CA 0.757 57.119 56.400 -0.065 0.000 0.804 263 E CB -0.241 29.401 29.700 -0.097 0.000 0.745 263 E HN 0.413 nan 8.360 nan 0.000 0.458 264 L N 0.683 121.881 121.223 -0.042 0.000 2.093 264 L HA -0.175 4.166 4.340 0.003 0.000 0.208 264 L C 2.487 179.368 176.870 0.020 0.000 1.085 264 L CA 0.944 55.790 54.840 0.011 0.000 0.755 264 L CB -0.272 41.867 42.059 0.134 0.000 0.904 264 L HN 0.024 nan 8.230 nan 0.000 0.435 265 K N 0.110 120.535 120.400 0.043 0.000 2.147 265 K HA -0.105 4.217 4.320 0.003 0.000 0.205 265 K C 2.079 178.669 176.600 -0.017 0.000 1.049 265 K CA 1.530 57.843 56.287 0.043 0.000 0.936 265 K CB -0.104 32.426 32.500 0.050 0.000 0.722 265 K HN 0.051 nan 8.250 nan 0.000 0.446 266 S N 0.408 116.086 115.700 -0.035 0.000 2.357 266 S HA 0.012 4.484 4.470 0.003 0.000 0.221 266 S C 1.638 176.188 174.600 -0.083 0.000 1.031 266 S CA 1.043 59.213 58.200 -0.049 0.000 0.982 266 S CB -0.232 62.942 63.200 -0.043 0.000 0.853 266 S HN 0.244 nan 8.310 nan 0.000 0.458 267 L N 1.137 122.291 121.223 -0.114 0.000 2.093 267 L HA 0.015 4.357 4.340 0.003 0.000 0.208 267 L C -0.076 176.644 176.870 -0.251 0.000 1.085 267 L CA 1.024 55.772 54.840 -0.154 0.000 0.755 267 L CB -0.349 41.625 42.059 -0.142 0.000 0.904 267 L HN 0.291 nan 8.230 nan 0.000 0.435 268 N N -0.552 117.935 118.700 -0.354 0.000 2.682 268 N HA 0.199 4.941 4.740 0.003 0.000 0.252 268 N C -2.043 173.311 175.510 -0.259 0.000 1.081 268 N CA -1.092 51.645 53.050 -0.522 0.000 0.844 268 N CB 1.596 39.243 38.487 -1.401 0.000 1.167 268 N HN -0.104 nan 8.380 nan 0.000 0.523 269 P HA -0.038 nan 4.420 nan 0.000 0.218 269 P C 1.264 178.582 177.300 0.030 0.000 1.148 269 P CA 1.083 64.164 63.100 -0.032 0.000 0.822 269 P CB 0.564 32.246 31.700 -0.029 0.000 0.784 270 R N -2.098 118.420 120.500 0.030 0.000 2.115 270 R HA -0.063 4.279 4.340 0.003 0.000 0.226 270 R C 0.326 176.775 176.300 0.249 0.000 1.100 270 R CA 0.342 56.512 56.100 0.117 0.000 0.980 270 R CB -0.437 29.930 30.300 0.112 0.000 0.875 270 R HN 0.228 nan 8.270 nan 0.000 0.445 271 W N 3.620 124.939 121.300 0.033 0.000 2.443 271 W HA -0.075 4.588 4.660 0.004 0.000 0.335 271 W C 0.518 177.059 176.519 0.037 0.000 1.382 271 W CA -0.666 56.702 57.345 0.038 0.000 1.305 271 W CB -0.543 28.945 29.460 0.046 0.000 1.283 271 W HN 0.245 nan 8.180 nan 0.000 0.567 272 D N 0.736 121.251 120.400 0.191 0.000 2.398 272 D HA 0.278 4.920 4.640 0.003 0.000 0.264 272 D C 1.591 177.954 176.300 0.105 0.000 1.263 272 D CA 0.027 54.097 54.000 0.117 0.000 1.037 272 D CB -0.346 40.495 40.800 0.068 0.000 1.101 272 D HN 0.317 nan 8.370 nan 0.000 0.551 273 G N -0.981 107.866 108.800 0.079 0.000 2.421 273 G HA2 -0.329 3.633 3.960 0.003 0.000 0.216 273 G HA3 -0.329 3.633 3.960 0.003 0.000 0.216 273 G C 1.378 176.335 174.900 0.095 0.000 1.171 273 G CA 1.182 46.334 45.100 0.086 0.000 0.775 273 G HN 0.604 nan 8.290 nan 0.000 0.543 274 E N 0.548 120.779 120.200 0.052 0.000 2.070 274 E HA -0.176 4.176 4.350 0.003 0.000 0.197 274 E C 2.467 179.096 176.600 0.049 0.000 1.004 274 E CA 1.369 57.801 56.400 0.053 0.000 0.805 274 E CB -0.263 29.439 29.700 0.003 0.000 0.744 274 E HN 0.305 nan 8.360 nan 0.000 0.451 275 R N -0.108 120.360 120.500 -0.054 0.000 2.073 275 R HA -0.018 4.324 4.340 0.003 0.000 0.234 275 R C 2.391 178.585 176.300 -0.176 0.000 1.134 275 R CA 1.537 57.493 56.100 -0.241 0.000 0.952 275 R CB -0.662 29.380 30.300 -0.431 0.000 0.850 275 R HN 0.317 nan 8.270 nan 0.000 0.433 276 L N -0.890 120.348 121.223 0.025 0.000 1.994 276 L HA -0.211 4.131 4.340 0.003 0.000 0.208 276 L C 2.252 179.167 176.870 0.076 0.000 1.071 276 L CA 1.869 56.777 54.840 0.113 0.000 0.745 276 L CB -0.772 41.386 42.059 0.166 0.000 0.892 276 L HN 0.261 nan 8.230 nan 0.000 0.431 277 Y N 0.610 120.936 120.300 0.044 0.000 2.053 277 Y HA -0.349 4.202 4.550 0.002 0.000 0.277 277 Y C 2.827 178.771 175.900 0.073 0.000 1.159 277 Y CA 1.794 59.981 58.100 0.145 0.000 1.125 277 Y CB -0.149 38.392 38.460 0.135 0.000 0.969 277 Y HN 0.169 nan 8.280 nan 0.000 0.492 278 Q N 0.324 120.069 119.800 -0.092 0.000 2.084 278 Q HA -0.177 4.164 4.340 0.003 0.000 0.202 278 Q C 2.095 177.949 176.000 -0.244 0.000 0.978 278 Q CA 1.651 57.298 55.803 -0.261 0.000 0.844 278 Q CB -0.367 28.288 28.738 -0.137 0.000 0.898 278 Q HN 0.632 nan 8.270 nan 0.000 0.426 279 E N 0.531 120.631 120.200 -0.168 0.000 2.106 279 E HA -0.071 4.280 4.350 0.003 0.000 0.192 279 E C 1.896 178.483 176.600 -0.022 0.000 0.984 279 E CA 0.995 57.367 56.400 -0.047 0.000 0.806 279 E CB -0.089 29.611 29.700 -0.000 0.000 0.750 279 E HN 0.302 nan 8.360 nan 0.000 0.458 280 A N 1.561 124.304 122.820 -0.129 0.000 1.898 280 A HA -0.176 4.146 4.320 0.003 0.000 0.216 280 A C 2.213 179.729 177.584 -0.113 0.000 1.181 280 A CA 1.564 53.465 52.037 -0.227 0.000 0.620 280 A CB -0.490 18.155 19.000 -0.591 0.000 0.819 280 A HN 0.129 nan 8.150 nan 0.000 0.442 281 R N -0.062 120.321 120.500 -0.195 0.000 2.120 281 R HA -0.161 4.181 4.340 0.003 0.000 0.234 281 R C 2.181 178.301 176.300 -0.300 0.000 1.123 281 R CA 1.921 57.733 56.100 -0.480 0.000 0.975 281 R CB -0.231 29.349 30.300 -1.200 0.000 0.866 281 R HN 0.539 nan 8.270 nan 0.000 0.446 282 K N 0.326 120.623 120.400 -0.172 0.000 2.103 282 K HA -0.063 4.259 4.320 0.003 0.000 0.204 282 K C 1.991 178.710 176.600 0.198 0.000 1.052 282 K CA 1.221 57.497 56.287 -0.020 0.000 0.945 282 K CB 0.010 32.501 32.500 -0.015 0.000 0.722 282 K HN 0.207 nan 8.250 nan 0.000 0.443 283 I N 0.552 121.225 120.570 0.171 0.000 2.286 283 I HA -0.237 3.935 4.170 0.003 0.000 0.245 283 I C 2.122 178.252 176.117 0.022 0.000 1.104 283 I CA 0.700 62.071 61.300 0.118 0.000 1.397 283 I CB -0.117 37.837 38.000 -0.076 0.000 1.072 283 I HN -0.030 nan 8.210 nan 0.000 0.417 284 V N 1.235 121.177 119.914 0.047 0.000 2.287 284 V HA -0.259 3.862 4.120 0.003 0.000 0.248 284 V C 2.649 178.790 176.094 0.078 0.000 1.053 284 V CA 2.305 64.657 62.300 0.087 0.000 1.027 284 V CB -1.569 30.406 31.823 0.252 0.000 0.646 284 V HN 0.581 nan 8.190 nan 0.000 0.447 285 G N -0.382 108.470 108.800 0.087 0.000 2.476 285 G HA2 -0.269 3.693 3.960 0.003 0.000 0.218 285 G HA3 -0.269 3.693 3.960 0.003 0.000 0.218 285 G C 1.778 176.690 174.900 0.020 0.000 1.164 285 G CA 1.247 46.390 45.100 0.072 0.000 0.768 285 G HN 0.641 nan 8.290 nan 0.000 0.560 286 A N 0.528 123.355 122.820 0.012 0.000 1.902 286 A HA -0.004 4.317 4.320 0.003 0.000 0.217 286 A C 2.492 179.884 177.584 -0.320 0.000 1.181 286 A CA 1.932 53.875 52.037 -0.157 0.000 0.623 286 A CB -0.379 18.547 19.000 -0.124 0.000 0.818 286 A HN 0.404 nan 8.150 nan 0.000 0.443 287 M N -0.766 118.714 119.600 -0.200 0.000 2.108 287 M HA -0.151 4.331 4.480 0.003 0.000 0.261 287 M C 2.087 178.327 176.300 -0.099 0.000 1.066 287 M CA 1.526 56.716 55.300 -0.184 0.000 1.107 287 M CB -0.516 32.014 32.600 -0.116 0.000 1.356 287 M HN 0.247 nan 8.290 nan 0.000 0.406 288 V N 0.387 120.286 119.914 -0.025 0.000 2.407 288 V HA -0.278 3.844 4.120 0.003 0.000 0.248 288 V C 2.262 178.418 176.094 0.103 0.000 1.055 288 V CA 1.788 64.119 62.300 0.052 0.000 1.049 288 V CB -0.841 31.037 31.823 0.091 0.000 0.662 288 V HN 0.537 nan 8.190 nan 0.000 0.455 289 Q N -0.537 119.285 119.800 0.036 0.000 2.079 289 Q HA -0.126 4.215 4.340 0.003 0.000 0.200 289 Q C 2.304 178.370 176.000 0.109 0.000 0.974 289 Q CA 1.689 57.545 55.803 0.089 0.000 0.840 289 Q CB -0.202 28.377 28.738 -0.265 0.000 0.898 289 Q HN 0.566 nan 8.270 nan 0.000 0.430 290 I N 0.617 121.077 120.570 -0.183 0.000 2.142 290 I HA -0.286 3.886 4.170 0.003 0.000 0.240 290 I C 2.273 178.437 176.117 0.079 0.000 1.078 290 I CA 1.150 62.359 61.300 -0.152 0.000 1.343 290 I CB -0.259 37.457 38.000 -0.473 0.000 1.046 290 I HN 0.185 nan 8.210 nan 0.000 0.405 291 I N 0.312 120.922 120.570 0.067 0.000 2.163 291 I HA -0.307 3.865 4.170 0.003 0.000 0.243 291 I C 2.571 178.879 176.117 0.319 0.000 1.085 291 I CA 1.641 63.044 61.300 0.173 0.000 1.347 291 I CB -0.634 37.453 38.000 0.146 0.000 1.044 291 I HN 0.267 nan 8.210 nan 0.000 0.408 292 T N -0.203 114.528 114.554 0.295 0.000 2.674 292 T HA -0.218 4.134 4.350 0.003 0.000 0.265 292 T C 1.732 176.605 174.700 0.288 0.000 1.039 292 T CA 1.763 64.037 62.100 0.290 0.000 1.150 292 T CB -0.434 68.620 68.868 0.310 0.000 0.864 292 T HN 0.318 nan 8.240 nan 0.000 0.427 293 Y N 0.272 120.734 120.300 0.270 0.000 2.420 293 Y HA 0.190 4.742 4.550 0.003 0.000 0.292 293 Y C 2.743 178.786 175.900 0.238 0.000 1.119 293 Y CA 0.349 58.615 58.100 0.276 0.000 1.229 293 Y CB 0.080 38.807 38.460 0.445 0.000 1.026 293 Y HN -0.020 nan 8.280 nan 0.000 0.554 294 R N 0.195 120.919 120.500 0.374 0.000 2.080 294 R HA -0.090 4.251 4.340 0.003 0.000 0.222 294 R C 0.804 177.236 176.300 0.220 0.000 1.107 294 R CA 1.724 57.985 56.100 0.267 0.000 0.980 294 R CB 0.144 30.570 30.300 0.210 0.000 0.879 294 R HN 0.274 nan 8.270 nan 0.000 0.439 295 D N -1.306 119.258 120.400 0.273 0.000 2.525 295 D HA -0.069 4.572 4.640 0.003 0.000 0.248 295 D C 1.335 177.909 176.300 0.457 0.000 1.000 295 D CA 0.486 54.683 54.000 0.328 0.000 0.923 295 D CB -0.281 40.698 40.800 0.299 0.000 1.101 295 D HN 0.148 nan 8.370 nan 0.000 0.493 296 Y N 2.161 122.625 120.300 0.274 0.000 2.163 296 Y HA 0.048 4.600 4.550 0.003 0.000 0.288 296 Y C 2.261 178.092 175.900 -0.115 0.000 1.112 296 Y CA 1.085 59.146 58.100 -0.066 0.000 1.104 296 Y CB -0.512 37.786 38.460 -0.269 0.000 1.016 296 Y HN -0.231 nan 8.280 nan 0.000 0.497 297 L N 0.423 121.541 121.223 -0.175 0.000 2.043 297 L HA -0.209 4.133 4.340 0.003 0.000 0.212 297 L C -0.544 176.181 176.870 -0.241 0.000 1.075 297 L CA 1.721 56.352 54.840 -0.348 0.000 0.752 297 L CB -1.861 39.965 42.059 -0.388 0.000 0.891 297 L HN 0.254 nan 8.230 nan 0.000 0.432 298 P HA -0.163 nan 4.420 nan 0.000 0.218 298 P C 1.526 178.775 177.300 -0.086 0.000 1.148 298 P CA 1.162 64.234 63.100 -0.046 0.000 0.822 298 P CB 0.101 31.817 31.700 0.027 0.000 0.784 299 L N -2.119 119.027 121.223 -0.129 0.000 2.509 299 L HA -0.015 4.326 4.340 0.003 0.000 0.222 299 L C 2.115 178.847 176.870 -0.230 0.000 1.123 299 L CA 1.019 55.780 54.840 -0.131 0.000 0.856 299 L CB -0.954 41.068 42.059 -0.062 0.000 0.985 299 L HN -0.148 nan 8.230 nan 0.000 0.456 300 V N -0.994 118.696 119.914 -0.372 0.000 2.331 300 V HA -0.157 3.965 4.120 0.003 0.000 0.242 300 V C 2.123 178.050 176.094 -0.279 0.000 1.034 300 V CA 1.390 63.443 62.300 -0.411 0.000 1.027 300 V CB -0.192 31.294 31.823 -0.563 0.000 0.667 300 V HN 0.280 nan 8.190 nan 0.000 0.457 301 L N -0.312 120.789 121.223 -0.203 0.000 2.209 301 L HA 0.391 4.733 4.340 0.003 0.000 0.207 301 L C 1.209 178.044 176.870 -0.059 0.000 1.094 301 L CA 0.895 55.672 54.840 -0.105 0.000 0.790 301 L CB -0.654 41.385 42.059 -0.034 0.000 0.932 301 L HN 0.557 nan 8.230 nan 0.000 0.447 302 G N -0.623 108.141 108.800 -0.061 0.000 2.746 302 G HA2 -0.169 3.793 3.960 0.003 0.000 0.685 302 G HA3 -0.169 3.793 3.960 0.003 0.000 0.685 302 G C -2.304 172.593 174.900 -0.006 0.000 1.350 302 G CA -0.525 44.557 45.100 -0.030 0.000 0.837 302 G HN -0.063 nan 8.290 nan 0.000 0.564 303 P HA -0.127 nan 4.420 nan 0.000 0.214 303 P C 2.152 179.455 177.300 0.006 0.000 1.169 303 P CA 2.901 66.005 63.100 0.006 0.000 0.908 303 P CB -0.082 31.620 31.700 0.004 0.000 0.791 304 T N -0.667 113.888 114.554 0.001 0.000 2.708 304 T HA -0.120 4.232 4.350 0.003 0.000 0.266 304 T C 1.915 176.606 174.700 -0.015 0.000 1.037 304 T CA 1.707 63.800 62.100 -0.011 0.000 1.146 304 T CB -1.070 67.792 68.868 -0.011 0.000 0.865 304 T HN 0.055 nan 8.240 nan 0.000 0.435 305 A N 1.105 123.945 122.820 0.033 0.000 1.972 305 A HA -0.057 4.264 4.320 0.003 0.000 0.219 305 A C 2.231 179.899 177.584 0.141 0.000 1.169 305 A CA 1.746 53.859 52.037 0.127 0.000 0.635 305 A CB -0.638 18.484 19.000 0.203 0.000 0.810 305 A HN 0.411 nan 8.150 nan 0.000 0.446 306 M N -0.150 119.496 119.600 0.077 0.000 2.086 306 M HA -0.082 4.400 4.480 0.003 0.000 0.261 306 M C 2.059 178.393 176.300 0.057 0.000 1.067 306 M CA 1.651 56.996 55.300 0.076 0.000 1.116 306 M CB -0.458 32.171 32.600 0.048 0.000 1.348 306 M HN 0.382 nan 8.290 nan 0.000 0.407 307 R N -0.330 120.179 120.500 0.016 0.000 2.083 307 R HA -0.192 4.150 4.340 0.003 0.000 0.237 307 R C 2.417 178.683 176.300 -0.056 0.000 1.137 307 R CA 1.970 58.066 56.100 -0.007 0.000 0.951 307 R CB -0.504 29.783 30.300 -0.022 0.000 0.851 307 R HN 0.431 nan 8.270 nan 0.000 0.434 308 K N -0.186 120.124 120.400 -0.149 0.000 2.002 308 K HA -0.179 4.142 4.320 0.003 0.000 0.209 308 K C 1.555 177.938 176.600 -0.361 0.000 1.048 308 K CA 1.668 57.747 56.287 -0.347 0.000 0.930 308 K CB -0.044 32.076 32.500 -0.633 0.000 0.714 308 K HN 0.150 nan 8.250 nan 0.000 0.438 309 Y N -0.272 120.048 120.300 0.034 0.000 2.510 309 Y HA 0.211 4.762 4.550 0.002 0.000 0.273 309 Y C 0.486 176.430 175.900 0.074 0.000 1.119 309 Y CA 0.241 58.371 58.100 0.051 0.000 1.286 309 Y CB 0.582 39.079 38.460 0.062 0.000 1.061 309 Y HN -0.064 nan 8.280 nan 0.000 0.542 310 L N 2.763 124.099 121.223 0.189 0.000 2.637 310 L HA 0.330 4.672 4.340 0.003 0.000 0.241 310 L C -2.423 174.525 176.870 0.129 0.000 1.398 310 L CA -1.714 53.233 54.840 0.179 0.000 0.895 310 L CB 0.779 42.968 42.059 0.217 0.000 1.183 310 L HN -0.126 nan 8.230 nan 0.000 0.497 311 P HA 0.038 nan 4.420 nan 0.000 0.271 311 P C -0.018 177.336 177.300 0.090 0.000 1.244 311 P CA -0.150 62.986 63.100 0.061 0.000 0.793 311 P CB 0.396 32.111 31.700 0.026 0.000 0.984 312 T N 1.041 115.642 114.554 0.080 0.000 2.891 312 T HA -0.110 4.242 4.350 0.003 0.000 0.296 312 T C 0.247 175.016 174.700 0.115 0.000 1.025 312 T CA 0.555 62.719 62.100 0.106 0.000 1.149 312 T CB -0.598 68.314 68.868 0.073 0.000 1.007 312 T HN 0.251 nan 8.240 nan 0.000 0.528 313 Y N 3.321 123.626 120.300 0.008 0.000 2.597 313 Y HA 0.091 4.642 4.550 0.002 0.000 0.336 313 Y C 1.259 177.138 175.900 -0.034 0.000 1.216 313 Y CA -0.073 57.999 58.100 -0.045 0.000 1.463 313 Y CB 0.467 38.894 38.460 -0.055 0.000 1.303 313 Y HN 0.617 nan 8.280 nan 0.000 0.576 314 R N 2.034 122.125 120.500 -0.682 0.000 2.049 314 R HA 0.324 4.666 4.340 0.003 0.000 0.202 314 R C -0.334 175.462 176.300 -0.840 0.000 1.306 314 R CA 0.744 56.516 56.100 -0.547 0.000 1.107 314 R CB 0.026 30.134 30.300 -0.321 0.000 0.996 314 R HN 0.742 nan 8.270 nan 0.000 0.469 315 S N -1.628 113.476 115.700 -0.994 0.000 2.656 315 S HA 0.091 4.563 4.470 0.003 0.000 0.265 315 S C -1.498 172.960 174.600 -0.237 0.000 1.110 315 S CA -1.024 56.791 58.200 -0.642 0.000 0.821 315 S CB 0.311 63.386 63.200 -0.209 0.000 1.099 315 S HN 0.212 nan 8.310 nan 0.000 0.471 316 Y N 2.709 122.987 120.300 -0.037 0.000 2.810 316 Y HA 0.417 4.967 4.550 0.001 0.000 0.332 316 Y C 0.100 175.973 175.900 -0.044 0.000 1.243 316 Y CA 0.328 58.438 58.100 0.017 0.000 1.537 316 Y CB 0.300 38.771 38.460 0.018 0.000 1.265 316 Y HN 0.823 nan 8.280 nan 0.000 0.572 317 N N 5.494 123.867 118.700 -0.546 0.000 2.573 317 N HA 0.075 4.817 4.740 0.003 0.000 0.262 317 N C -0.030 175.027 175.510 -0.757 0.000 1.029 317 N CA -0.479 52.241 53.050 -0.549 0.000 0.882 317 N CB 0.545 38.882 38.487 -0.249 0.000 1.204 317 N HN 0.822 nan 8.380 nan 0.000 0.519 318 D N 1.451 121.311 120.400 -0.900 0.000 2.392 318 D HA -0.033 4.609 4.640 0.003 0.000 0.228 318 D C -0.056 176.136 176.300 -0.181 0.000 1.003 318 D CA 0.488 54.164 54.000 -0.541 0.000 0.917 318 D CB 0.247 40.871 40.800 -0.294 0.000 0.890 318 D HN 0.242 nan 8.370 nan 0.000 0.532 319 S N -0.519 115.081 115.700 -0.167 0.000 2.556 319 S HA 0.117 4.589 4.470 0.003 0.000 0.216 319 S C 0.688 175.263 174.600 -0.041 0.000 0.970 319 S CA -0.448 57.707 58.200 -0.075 0.000 0.912 319 S CB 0.809 63.966 63.200 -0.071 0.000 0.790 319 S HN 0.126 nan 8.310 nan 0.000 0.504 320 V N 3.896 123.781 119.914 -0.049 0.000 2.370 320 V HA 0.132 4.253 4.120 0.003 0.000 0.257 320 V C 0.092 176.216 176.094 0.050 0.000 1.064 320 V CA -0.769 61.532 62.300 0.002 0.000 0.975 320 V CB 0.284 32.110 31.823 0.005 0.000 1.067 320 V HN 0.236 nan 8.190 nan 0.000 0.485 321 D N 8.898 129.322 120.400 0.040 0.000 2.426 321 D HA 0.035 4.676 4.640 0.003 0.000 0.261 321 D C -1.146 175.170 176.300 0.026 0.000 1.245 321 D CA -1.491 52.534 54.000 0.042 0.000 0.917 321 D CB 1.400 42.217 40.800 0.028 0.000 1.123 321 D HN 0.321 nan 8.370 nan 0.000 0.508 322 P HA 0.065 nan 4.420 nan 0.000 0.257 322 P C 0.065 177.241 177.300 -0.206 0.000 1.281 322 P CA -0.127 62.946 63.100 -0.045 0.000 0.826 322 P CB 0.374 32.134 31.700 0.100 0.000 1.237 323 R N 0.424 120.839 120.500 -0.142 0.000 2.643 323 R HA 0.234 4.575 4.340 0.003 0.000 0.270 323 R C 0.688 176.873 176.300 -0.192 0.000 1.061 323 R CA -0.643 55.357 56.100 -0.167 0.000 1.107 323 R CB 0.434 30.685 30.300 -0.082 0.000 0.999 323 R HN 0.026 nan 8.270 nan 0.000 0.460 324 I N 2.301 122.747 120.570 -0.207 0.000 2.556 324 I HA 0.022 4.194 4.170 0.003 0.000 0.284 324 I C 0.880 176.944 176.117 -0.089 0.000 1.114 324 I CA 0.082 61.253 61.300 -0.216 0.000 1.418 324 I CB 0.377 38.284 38.000 -0.156 0.000 1.394 324 I HN 0.665 nan 8.210 nan 0.000 0.552 325 A N 5.950 128.729 122.820 -0.069 0.000 2.388 325 A HA 0.150 4.471 4.320 0.003 0.000 0.257 325 A C 1.394 179.017 177.584 0.066 0.000 1.095 325 A CA -0.410 51.633 52.037 0.010 0.000 0.791 325 A CB 0.169 19.174 19.000 0.009 0.000 1.029 325 A HN 0.814 nan 8.150 nan 0.000 0.489 326 N N 1.492 120.240 118.700 0.081 0.000 2.060 326 N HA -0.176 4.566 4.740 0.003 0.000 0.195 326 N C 1.684 177.256 175.510 0.103 0.000 1.028 326 N CA 1.972 55.102 53.050 0.133 0.000 0.861 326 N CB -0.207 38.373 38.487 0.154 0.000 1.029 326 N HN 0.511 nan 8.380 nan 0.000 0.428 327 V N 0.650 120.551 119.914 -0.022 0.000 2.469 327 V HA -0.215 3.906 4.120 0.003 0.000 0.251 327 V C 2.101 178.093 176.094 -0.170 0.000 1.064 327 V CA 1.704 63.840 62.300 -0.273 0.000 1.066 327 V CB -0.778 30.457 31.823 -0.981 0.000 0.667 327 V HN 0.326 nan 8.190 nan 0.000 0.461 328 F N 1.787 121.632 119.950 -0.175 0.000 2.161 328 F HA -0.210 4.319 4.527 0.004 0.000 0.300 328 F C 2.651 178.456 175.800 0.008 0.000 1.089 328 F CA 2.298 60.242 58.000 -0.094 0.000 1.282 328 F CB -0.663 38.259 39.000 -0.129 0.000 1.010 328 F HN 0.404 nan 8.300 nan 0.000 0.485 329 T N -2.267 112.348 114.554 0.102 0.000 2.897 329 T HA -0.228 4.123 4.350 0.003 0.000 0.271 329 T C 1.881 176.555 174.700 -0.043 0.000 1.084 329 T CA 1.725 63.863 62.100 0.062 0.000 1.123 329 T CB -0.622 68.325 68.868 0.132 0.000 0.865 329 T HN 0.488 nan 8.240 nan 0.000 0.496 330 N N 0.393 119.048 118.700 -0.074 0.000 2.499 330 N HA 0.210 4.952 4.740 0.003 0.000 0.182 330 N C 2.252 177.769 175.510 0.011 0.000 1.034 330 N CA 0.747 53.769 53.050 -0.047 0.000 0.882 330 N CB 0.014 38.475 38.487 -0.044 0.000 1.125 330 N HN 0.470 nan 8.380 nan 0.000 0.436 331 A N 0.675 123.442 122.820 -0.088 0.000 1.902 331 A HA -0.117 4.205 4.320 0.003 0.000 0.217 331 A C 1.744 179.321 177.584 -0.013 0.000 1.181 331 A CA 0.855 52.850 52.037 -0.070 0.000 0.623 331 A CB -0.922 17.983 19.000 -0.158 0.000 0.818 331 A HN 0.383 nan 8.150 nan 0.000 0.443 332 F N 0.899 120.609 119.950 -0.400 0.000 2.546 332 F HA -0.006 4.524 4.527 0.004 0.000 0.298 332 F C 1.948 177.670 175.800 -0.130 0.000 1.120 332 F CA 0.590 58.403 58.000 -0.311 0.000 1.456 332 F CB -0.160 38.266 39.000 -0.957 0.000 1.088 332 F HN 0.152 nan 8.300 nan 0.000 0.572 333 R N -0.543 119.851 120.500 -0.177 0.000 2.369 333 R HA -0.173 4.168 4.340 0.003 0.000 0.200 333 R C 1.761 177.917 176.300 -0.240 0.000 1.046 333 R CA 0.814 56.653 56.100 -0.436 0.000 1.057 333 R CB -0.898 29.191 30.300 -0.352 0.000 0.888 333 R HN 0.604 nan 8.270 nan 0.000 0.474 334 Y N -0.941 119.272 120.300 -0.144 0.000 2.315 334 Y HA -0.065 4.487 4.550 0.003 0.000 0.288 334 Y C 2.008 177.834 175.900 -0.123 0.000 1.154 334 Y CA 0.973 58.999 58.100 -0.124 0.000 1.229 334 Y CB -0.815 37.509 38.460 -0.227 0.000 0.980 334 Y HN -0.072 nan 8.280 nan 0.000 0.540 335 G N -0.104 107.825 108.800 -1.452 0.000 2.479 335 G HA2 -0.280 3.681 3.960 0.003 0.000 0.220 335 G HA3 -0.280 3.681 3.960 0.003 0.000 0.220 335 G C 1.098 175.777 174.900 -0.370 0.000 1.115 335 G CA 1.037 45.476 45.100 -1.101 0.000 0.757 335 G HN 0.731 nan 8.290 nan 0.000 0.560 336 H N 0.112 119.074 119.070 -0.180 0.000 2.489 336 H HA -0.078 4.480 4.556 0.003 0.000 0.295 336 H C 2.794 178.142 175.328 0.033 0.000 1.082 336 H CA 1.210 57.233 56.048 -0.041 0.000 1.295 336 H CB 0.199 29.954 29.762 -0.011 0.000 1.380 336 H HN 0.515 nan 8.280 nan 0.000 0.548 337 T N -1.261 113.383 114.554 0.149 0.000 3.085 337 T HA 0.010 4.361 4.350 0.003 0.000 0.263 337 T C 1.614 176.346 174.700 0.054 0.000 1.127 337 T CA 0.347 62.517 62.100 0.116 0.000 1.103 337 T CB -0.118 68.798 68.868 0.080 0.000 0.921 337 T HN 0.280 nan 8.240 nan 0.000 0.510 338 L N 0.121 121.347 121.223 0.004 0.000 2.567 338 L HA 0.436 4.778 4.340 0.003 0.000 0.225 338 L C 0.738 177.635 176.870 0.044 0.000 1.119 338 L CA -0.159 54.688 54.840 0.012 0.000 0.871 338 L CB -0.262 41.777 42.059 -0.033 0.000 1.036 338 L HN 0.235 nan 8.230 nan 0.000 0.459 339 I N 1.119 121.721 120.570 0.054 0.000 2.533 339 I HA -0.012 4.159 4.170 0.003 0.000 0.284 339 I C 0.528 176.695 176.117 0.083 0.000 1.109 339 I CA 0.118 61.462 61.300 0.073 0.000 1.412 339 I CB 0.344 38.383 38.000 0.066 0.000 1.396 339 I HN 0.187 nan 8.210 nan 0.000 0.543 340 Q N 8.621 128.497 119.800 0.127 0.000 2.306 340 Q HA 0.190 4.532 4.340 0.003 0.000 0.241 340 Q C -1.481 174.550 176.000 0.051 0.000 0.948 340 Q CA -1.510 54.398 55.803 0.174 0.000 0.886 340 Q CB 1.074 30.059 28.738 0.411 0.000 1.227 340 Q HN 0.429 nan 8.270 nan 0.000 0.457 341 P HA -0.018 nan 4.420 nan 0.000 0.242 341 P C -0.452 176.385 177.300 -0.772 0.000 1.197 341 P CA 0.921 63.765 63.100 -0.427 0.000 0.765 341 P CB 0.287 31.653 31.700 -0.556 0.000 0.936 342 F N -0.877 118.972 119.950 -0.170 0.000 2.593 342 F HA 0.502 5.031 4.527 0.003 0.000 0.320 342 F C 0.587 176.117 175.800 -0.450 0.000 1.060 342 F CA -1.494 56.230 58.000 -0.459 0.000 0.940 342 F CB 1.393 39.835 39.000 -0.930 0.000 1.268 342 F HN -0.361 nan 8.300 nan 0.000 0.475 343 M N 2.683 122.160 119.600 -0.204 0.000 2.080 343 M HA 0.495 4.977 4.480 0.003 0.000 0.350 343 M C -1.878 174.294 176.300 -0.214 0.000 1.173 343 M CA -0.337 54.891 55.300 -0.120 0.000 1.052 343 M CB 0.395 32.930 32.600 -0.109 0.000 1.577 343 M HN 0.456 nan 8.290 nan 0.000 0.455 344 F N 4.564 124.535 119.950 0.034 0.000 2.410 344 F HA 0.524 5.052 4.527 0.003 0.000 0.349 344 F C 0.125 175.905 175.800 -0.033 0.000 1.117 344 F CA -0.432 57.568 58.000 0.000 0.000 1.104 344 F CB 0.943 39.957 39.000 0.023 0.000 1.122 344 F HN 0.475 nan 8.300 nan 0.000 0.483 345 R N 4.181 124.730 120.500 0.081 0.000 2.534 345 R HA 0.776 5.117 4.340 0.003 0.000 0.301 345 R C -1.393 174.888 176.300 -0.032 0.000 0.961 345 R CA -0.866 55.234 56.100 0.000 0.000 0.871 345 R CB 2.100 32.369 30.300 -0.053 0.000 1.170 345 R HN 0.609 nan 8.270 nan 0.000 0.446 346 L N 1.654 122.819 121.223 -0.095 0.000 2.354 346 L HA 0.444 4.785 4.340 0.003 0.000 0.264 346 L C -0.243 176.481 176.870 -0.243 0.000 1.008 346 L CA -1.219 53.523 54.840 -0.162 0.000 0.819 346 L CB 1.951 43.886 42.059 -0.206 0.000 1.339 346 L HN 0.647 nan 8.230 nan 0.000 0.420 347 D N -0.213 120.056 120.400 -0.217 0.000 2.447 347 D HA 0.020 4.661 4.640 0.003 0.000 0.265 347 D C 0.781 176.899 176.300 -0.304 0.000 1.250 347 D CA -0.476 53.400 54.000 -0.207 0.000 1.046 347 D CB 0.200 40.925 40.800 -0.126 0.000 1.095 347 D HN 0.595 nan 8.370 nan 0.000 0.555 348 N N -0.701 117.871 118.700 -0.212 0.000 2.430 348 N HA -0.261 4.481 4.740 0.003 0.000 0.186 348 N C 0.966 176.380 175.510 -0.160 0.000 1.032 348 N CA 1.175 54.105 53.050 -0.200 0.000 0.893 348 N CB -0.526 37.905 38.487 -0.094 0.000 0.957 348 N HN 0.632 nan 8.380 nan 0.000 0.442 349 R N -1.845 118.577 120.500 -0.130 0.000 2.586 349 R HA 0.164 4.506 4.340 0.003 0.000 0.336 349 R C -0.614 175.601 176.300 -0.142 0.000 1.060 349 R CA -0.698 55.388 56.100 -0.024 0.000 1.079 349 R CB -0.843 29.490 30.300 0.054 0.000 1.317 349 R HN -0.003 nan 8.270 nan 0.000 0.568 350 Y N 0.282 120.288 120.300 -0.490 0.000 3.825 350 Y HA -0.265 4.286 4.550 0.003 0.000 0.221 350 Y C -0.301 175.399 175.900 -0.333 0.000 1.195 350 Y CA 0.773 58.503 58.100 -0.616 0.000 1.699 350 Y CB -1.477 36.111 38.460 -1.453 0.000 1.531 350 Y HN 0.413 nan 8.280 nan 0.000 0.640 351 Q N -0.168 119.567 119.800 -0.109 0.000 2.226 351 Q HA 0.457 4.799 4.340 0.003 0.000 0.256 351 Q C -2.226 173.740 176.000 -0.056 0.000 0.962 351 Q CA -2.635 53.139 55.803 -0.048 0.000 0.887 351 Q CB 0.719 29.443 28.738 -0.023 0.000 1.282 351 Q HN -0.072 nan 8.270 nan 0.000 0.449 352 P HA -0.026 nan 4.420 nan 0.000 0.258 352 P C -0.423 176.850 177.300 -0.044 0.000 1.172 352 P CA 0.634 63.717 63.100 -0.029 0.000 0.762 352 P CB 0.222 31.909 31.700 -0.021 0.000 0.764 353 M N 4.058 123.625 119.600 -0.054 0.000 2.589 353 M HA 0.084 4.566 4.480 0.003 0.000 0.340 353 M C 0.345 176.615 176.300 -0.050 0.000 1.308 353 M CA -0.414 54.851 55.300 -0.059 0.000 1.332 353 M CB 0.021 32.575 32.600 -0.076 0.000 1.219 353 M HN 0.277 nan 8.290 nan 0.000 0.467 354 E N 4.270 124.446 120.200 -0.040 0.000 2.461 354 E HA -0.009 4.343 4.350 0.003 0.000 0.263 354 E C -1.591 174.994 176.600 -0.025 0.000 1.143 354 E CA -0.584 55.796 56.400 -0.033 0.000 0.994 354 E CB 0.157 29.842 29.700 -0.025 0.000 0.973 354 E HN 0.526 nan 8.360 nan 0.000 0.457 355 P HA 0.049 nan 4.420 nan 0.000 0.251 355 P C -0.248 177.038 177.300 -0.023 0.000 1.223 355 P CA 0.572 63.664 63.100 -0.013 0.000 0.796 355 P CB 0.587 32.288 31.700 0.002 0.000 1.068 356 N N 1.194 119.875 118.700 -0.031 0.000 2.844 356 N HA 0.148 4.889 4.740 0.003 0.000 0.268 356 N C -2.043 173.419 175.510 -0.079 0.000 1.574 356 N CA -0.957 52.064 53.050 -0.048 0.000 0.838 356 N CB 1.765 40.239 38.487 -0.022 0.000 1.177 356 N HN 0.144 nan 8.380 nan 0.000 0.495 357 P HA 0.024 nan 4.420 nan 0.000 0.231 357 P C 0.067 177.272 177.300 -0.159 0.000 1.168 357 P CA 0.527 63.570 63.100 -0.096 0.000 0.779 357 P CB 0.712 32.369 31.700 -0.072 0.000 0.844 358 R N 0.106 120.456 120.500 -0.249 0.000 2.639 358 R HA 0.336 4.678 4.340 0.003 0.000 0.273 358 R C -0.999 175.133 176.300 -0.280 0.000 1.732 358 R CA -0.329 55.489 56.100 -0.469 0.000 1.586 358 R CB 1.242 31.068 30.300 -0.791 0.000 1.263 358 R HN -0.133 nan 8.270 nan 0.000 0.615 359 V N 2.815 122.660 119.914 -0.115 0.000 2.583 359 V HA 0.269 4.391 4.120 0.003 0.000 0.287 359 V C -1.969 174.202 176.094 0.130 0.000 1.051 359 V CA -2.118 60.185 62.300 0.005 0.000 1.010 359 V CB 1.179 32.960 31.823 -0.070 0.000 0.988 359 V HN 0.386 nan 8.190 nan 0.000 0.478 360 P HA 0.055 nan 4.420 nan 0.000 0.265 360 P C 0.629 177.782 177.300 -0.244 0.000 1.193 360 P CA -0.125 62.916 63.100 -0.099 0.000 0.765 360 P CB 0.560 32.228 31.700 -0.054 0.000 0.823 361 L N 3.503 124.498 121.223 -0.379 0.000 2.191 361 L HA -0.186 4.155 4.340 0.003 0.000 0.212 361 L C 2.009 178.283 176.870 -0.993 0.000 1.103 361 L CA 2.004 56.477 54.840 -0.613 0.000 0.769 361 L CB -1.083 40.710 42.059 -0.444 0.000 0.908 361 L HN 0.375 nan 8.230 nan 0.000 0.438 362 S N -1.714 113.744 115.700 -0.403 0.000 2.595 362 S HA -0.098 4.374 4.470 0.003 0.000 0.235 362 S C 1.685 176.255 174.600 -0.050 0.000 0.974 362 S CA 0.487 58.640 58.200 -0.078 0.000 0.942 362 S CB -0.331 62.916 63.200 0.078 0.000 0.766 362 S HN 0.438 nan 8.310 nan 0.000 0.536 363 R N 0.268 120.672 120.500 -0.161 0.000 2.629 363 R HA 0.290 4.631 4.340 0.003 0.000 0.408 363 R C 0.907 177.159 176.300 -0.081 0.000 1.057 363 R CA 0.367 56.452 56.100 -0.025 0.000 1.119 363 R CB 1.199 31.522 30.300 0.039 0.000 1.403 363 R HN 0.436 nan 8.270 nan 0.000 0.576 364 V N -3.287 116.451 119.914 -0.293 0.000 3.562 364 V HA 0.408 4.530 4.120 0.003 0.000 0.270 364 V C 0.352 176.347 176.094 -0.165 0.000 1.418 364 V CA -0.104 62.035 62.300 -0.269 0.000 1.033 364 V CB -0.095 31.530 31.823 -0.330 0.000 0.820 364 V HN -0.066 nan 8.190 nan 0.000 0.441 365 F N 2.043 122.026 119.950 0.054 0.000 2.571 365 F HA 0.449 4.978 4.527 0.003 0.000 0.384 365 F C 0.910 176.734 175.800 0.041 0.000 1.058 365 F CA 0.225 58.216 58.000 -0.014 0.000 1.200 365 F CB -0.226 38.928 39.000 0.255 0.000 1.077 365 F HN 0.120 nan 8.300 nan 0.000 0.558 366 F N 0.585 120.633 119.950 0.164 0.000 3.006 366 F HA -0.303 4.225 4.527 0.002 0.000 0.289 366 F C 1.129 176.981 175.800 0.087 0.000 0.772 366 F CA 0.266 58.301 58.000 0.059 0.000 1.162 366 F CB -1.909 37.070 39.000 -0.036 0.000 1.382 366 F HN 0.522 nan 8.300 nan 0.000 0.406 367 A N 0.589 123.504 122.820 0.159 0.000 3.063 367 A HA 0.476 4.798 4.320 0.003 0.000 0.263 367 A C 1.529 179.077 177.584 -0.060 0.000 1.736 367 A CA 0.353 52.441 52.037 0.085 0.000 1.408 367 A CB -0.507 18.429 19.000 -0.108 0.000 1.108 367 A HN 0.529 nan 8.150 nan 0.000 0.621 368 S N 1.031 116.797 115.700 0.111 0.000 2.419 368 S HA -0.197 4.274 4.470 0.003 0.000 0.233 368 S C 1.745 176.417 174.600 0.120 0.000 1.016 368 S CA 1.022 59.315 58.200 0.155 0.000 0.974 368 S CB -0.746 62.427 63.200 -0.044 0.000 0.786 368 S HN 0.995 nan 8.310 nan 0.000 0.492 369 W N 2.508 123.807 121.300 -0.000 0.000 2.364 369 W HA -0.059 4.603 4.660 0.003 0.000 0.281 369 W C 1.664 178.176 176.519 -0.012 0.000 1.219 369 W CA 0.801 58.123 57.345 -0.038 0.000 1.220 369 W CB -0.832 28.596 29.460 -0.053 0.000 1.127 369 W HN 0.304 nan 8.180 nan 0.000 0.556 370 R N 0.769 120.784 120.500 -0.808 0.000 2.115 370 R HA -0.066 4.276 4.340 0.003 0.000 0.230 370 R C 2.394 178.508 176.300 -0.310 0.000 1.111 370 R CA 1.587 57.194 56.100 -0.822 0.000 0.976 370 R CB -0.510 29.230 30.300 -0.933 0.000 0.870 370 R HN 0.113 nan 8.270 nan 0.000 0.445 371 V N 0.331 120.156 119.914 -0.148 0.000 2.379 371 V HA -0.175 3.947 4.120 0.003 0.000 0.245 371 V C 2.272 178.353 176.094 -0.022 0.000 1.044 371 V CA 1.421 63.689 62.300 -0.052 0.000 1.036 371 V CB -0.161 31.678 31.823 0.027 0.000 0.664 371 V HN 0.088 nan 8.190 nan 0.000 0.453 372 V N -0.303 119.621 119.914 0.017 0.000 2.307 372 V HA -0.149 3.972 4.120 0.003 0.000 0.245 372 V C 1.979 178.021 176.094 -0.087 0.000 1.045 372 V CA 1.833 64.079 62.300 -0.090 0.000 1.024 372 V CB -0.386 31.273 31.823 -0.273 0.000 0.651 372 V HN 0.437 nan 8.190 nan 0.000 0.449 373 L N -0.945 120.274 121.223 -0.007 0.000 2.616 373 L HA 0.255 4.596 4.340 0.003 0.000 0.229 373 L C 1.085 177.995 176.870 0.066 0.000 1.110 373 L CA 0.388 55.270 54.840 0.070 0.000 0.884 373 L CB 0.152 42.331 42.059 0.201 0.000 1.115 373 L HN 0.300 nan 8.230 nan 0.000 0.481 374 E N 0.298 120.492 120.200 -0.010 0.000 2.989 374 E HA 0.295 4.646 4.350 0.003 0.000 0.207 374 E C 0.771 177.339 176.600 -0.055 0.000 0.989 374 E CA 0.283 56.661 56.400 -0.037 0.000 1.186 374 E CB 0.935 30.563 29.700 -0.120 0.000 1.141 374 E HN 0.346 nan 8.360 nan 0.000 0.454 375 G N 0.409 109.188 108.800 -0.034 0.000 2.184 375 G HA2 -0.174 3.788 3.960 0.003 0.000 0.206 375 G HA3 -0.174 3.788 3.960 0.003 0.000 0.206 375 G C 0.676 175.548 174.900 -0.047 0.000 0.995 375 G CA -0.285 44.791 45.100 -0.039 0.000 0.651 375 G HN 0.804 nan 8.290 nan 0.000 0.511 376 G N -0.130 108.640 108.800 -0.050 0.000 2.584 376 G HA2 -0.021 3.940 3.960 0.003 0.000 0.229 376 G HA3 -0.021 3.940 3.960 0.003 0.000 0.229 376 G C 1.030 175.886 174.900 -0.072 0.000 1.320 376 G CA 0.933 46.000 45.100 -0.055 0.000 0.891 376 G HN 1.726 nan 8.290 nan 0.000 0.573 377 I N -2.511 118.015 120.570 -0.073 0.000 3.427 377 I HA 0.266 4.437 4.170 0.003 0.000 0.288 377 I C 1.644 177.722 176.117 -0.066 0.000 1.249 377 I CA 1.453 62.709 61.300 -0.073 0.000 1.421 377 I CB -0.164 37.790 38.000 -0.078 0.000 1.086 377 I HN 0.289 nan 8.210 nan 0.000 0.448 378 D N 2.998 123.356 120.400 -0.071 0.000 2.106 378 D HA -0.112 4.530 4.640 0.003 0.000 0.191 378 D C -0.360 175.871 176.300 -0.115 0.000 0.997 378 D CA 1.808 55.757 54.000 -0.085 0.000 0.834 378 D CB -1.694 39.053 40.800 -0.088 0.000 0.956 378 D HN 0.320 nan 8.370 nan 0.000 0.448 379 P HA -0.074 nan 4.420 nan 0.000 0.216 379 P C 1.555 178.802 177.300 -0.089 0.000 1.150 379 P CA 0.884 63.907 63.100 -0.128 0.000 0.837 379 P CB 0.048 31.685 31.700 -0.105 0.000 0.786 380 I N -1.604 118.928 120.570 -0.063 0.000 2.193 380 I HA -0.199 3.973 4.170 0.003 0.000 0.240 380 I C 2.271 178.389 176.117 0.002 0.000 1.084 380 I CA 1.275 62.559 61.300 -0.025 0.000 1.365 380 I CB -0.725 37.252 38.000 -0.037 0.000 1.064 380 I HN -0.121 nan 8.210 nan 0.000 0.410 381 L N 0.283 121.499 121.223 -0.012 0.000 2.083 381 L HA -0.197 4.144 4.340 0.003 0.000 0.209 381 L C 2.793 179.693 176.870 0.051 0.000 1.083 381 L CA 1.399 56.252 54.840 0.020 0.000 0.752 381 L CB -0.569 41.494 42.059 0.006 0.000 0.899 381 L HN 0.171 nan 8.230 nan 0.000 0.433 382 R N -0.234 120.251 120.500 -0.026 0.000 2.096 382 R HA -0.117 4.224 4.340 0.003 0.000 0.235 382 R C 2.378 178.737 176.300 0.097 0.000 1.127 382 R CA 1.252 57.326 56.100 -0.043 0.000 0.968 382 R CB -0.697 29.295 30.300 -0.514 0.000 0.861 382 R HN 0.453 nan 8.270 nan 0.000 0.440 383 G N 1.199 110.028 108.800 0.049 0.000 2.418 383 G HA2 -0.235 3.727 3.960 0.003 0.000 0.217 383 G HA3 -0.235 3.727 3.960 0.003 0.000 0.217 383 G C 1.447 176.421 174.900 0.123 0.000 1.158 383 G CA 0.469 45.635 45.100 0.110 0.000 0.771 383 G HN 0.137 nan 8.290 nan 0.000 0.545 384 L N -0.375 120.923 121.223 0.126 0.000 2.046 384 L HA -0.068 4.274 4.340 0.003 0.000 0.208 384 L C 3.087 180.046 176.870 0.148 0.000 1.077 384 L CA 1.139 56.056 54.840 0.129 0.000 0.747 384 L CB -0.304 41.826 42.059 0.119 0.000 0.896 384 L HN 0.260 nan 8.230 nan 0.000 0.432 385 M N -1.028 118.695 119.600 0.206 0.000 2.193 385 M HA -0.049 4.433 4.480 0.003 0.000 0.265 385 M C 1.877 178.383 176.300 0.343 0.000 1.071 385 M CA 1.508 56.968 55.300 0.265 0.000 1.140 385 M CB -0.184 32.648 32.600 0.387 0.000 1.369 385 M HN 0.228 nan 8.290 nan 0.000 0.423 386 A N -0.265 122.770 122.820 0.358 0.000 2.460 386 A HA 0.229 4.550 4.320 0.003 0.000 0.258 386 A C 0.207 177.834 177.584 0.072 0.000 1.300 386 A CA 0.011 52.210 52.037 0.269 0.000 0.913 386 A CB -0.231 18.860 19.000 0.152 0.000 1.031 386 A HN 0.260 nan 8.150 nan 0.000 0.512 387 T N 2.038 116.588 114.554 -0.007 0.000 2.841 387 T HA 0.529 4.881 4.350 0.003 0.000 0.283 387 T C -2.986 171.641 174.700 -0.122 0.000 1.000 387 T CA -1.118 60.857 62.100 -0.208 0.000 0.977 387 T CB 1.791 70.342 68.868 -0.528 0.000 0.979 387 T HN 0.021 nan 8.240 nan 0.000 0.446 388 P HA 0.411 nan 4.420 nan 0.000 0.271 388 P C -0.606 176.679 177.300 -0.026 0.000 1.216 388 P CA -0.481 62.596 63.100 -0.039 0.000 0.776 388 P CB 0.349 32.032 31.700 -0.028 0.000 0.881 389 A N 2.914 125.750 122.820 0.025 0.000 2.406 389 A HA 0.154 4.475 4.320 0.003 0.000 0.243 389 A C 0.459 178.071 177.584 0.047 0.000 1.082 389 A CA -0.247 51.819 52.037 0.047 0.000 0.786 389 A CB -0.106 18.930 19.000 0.061 0.000 1.029 389 A HN 0.579 nan 8.150 nan 0.000 0.495 390 K N 0.780 121.218 120.400 0.063 0.000 2.298 390 K HA 0.340 4.662 4.320 0.003 0.000 0.280 390 K C -0.681 175.949 176.600 0.050 0.000 1.032 390 K CA -0.414 55.910 56.287 0.062 0.000 0.958 390 K CB 0.367 32.910 32.500 0.071 0.000 0.978 390 K HN 0.535 nan 8.250 nan 0.000 0.472 391 L N 3.837 125.086 121.223 0.044 0.000 2.350 391 L HA 0.233 4.574 4.340 0.003 0.000 0.275 391 L C -0.438 176.453 176.870 0.035 0.000 1.099 391 L CA -0.159 54.703 54.840 0.037 0.000 0.808 391 L CB 0.943 43.020 42.059 0.029 0.000 1.149 391 L HN 0.699 nan 8.230 nan 0.000 0.442 392 N N 4.415 123.134 118.700 0.032 0.000 2.401 392 N HA 0.244 4.985 4.740 0.003 0.000 0.255 392 N C -0.954 174.561 175.510 0.010 0.000 1.110 392 N CA 0.149 53.213 53.050 0.023 0.000 0.949 392 N CB 0.212 38.712 38.487 0.020 0.000 1.110 392 N HN 0.577 nan 8.380 nan 0.000 0.490 393 R N 2.271 122.777 120.500 0.010 0.000 2.778 393 R HA 0.222 4.564 4.340 0.003 0.000 0.277 393 R C 0.882 177.180 176.300 -0.004 0.000 0.977 393 R CA -0.672 55.430 56.100 0.004 0.000 0.950 393 R CB 1.353 31.660 30.300 0.011 0.000 1.165 393 R HN 0.601 nan 8.270 nan 0.000 0.474 394 Q N 0.825 120.619 119.800 -0.010 0.000 2.291 394 Q HA -0.148 4.194 4.340 0.003 0.000 0.206 394 Q C 0.719 176.714 176.000 -0.007 0.000 0.976 394 Q CA 1.310 57.102 55.803 -0.018 0.000 0.875 394 Q CB 0.052 28.779 28.738 -0.020 0.000 0.927 394 Q HN 0.466 nan 8.270 nan 0.000 0.450 395 N N -0.984 117.718 118.700 0.002 0.000 2.238 395 N HA -0.006 4.735 4.740 0.003 0.000 0.235 395 N C -0.409 175.111 175.510 0.017 0.000 1.209 395 N CA -0.010 53.045 53.050 0.009 0.000 0.879 395 N CB 0.594 39.086 38.487 0.009 0.000 1.136 395 N HN 0.081 nan 8.380 nan 0.000 0.517 396 Q N 0.518 120.329 119.800 0.019 0.000 2.506 396 Q HA 0.409 4.750 4.340 0.003 0.000 0.380 396 Q C 0.541 176.563 176.000 0.037 0.000 0.867 396 Q CA -0.172 55.648 55.803 0.028 0.000 1.093 396 Q CB 0.693 29.448 28.738 0.028 0.000 1.388 396 Q HN 0.173 nan 8.270 nan 0.000 0.400 397 I N 0.517 121.113 120.570 0.044 0.000 2.113 397 I HA -0.118 4.054 4.170 0.003 0.000 0.238 397 I C 0.870 177.055 176.117 0.113 0.000 1.070 397 I CA 0.996 62.334 61.300 0.063 0.000 1.332 397 I CB 0.244 38.287 38.000 0.071 0.000 1.044 397 I HN 0.281 nan 8.210 nan 0.000 0.402 398 A N -0.032 122.859 122.820 0.118 0.000 2.488 398 A HA 0.544 4.866 4.320 0.003 0.000 0.295 398 A C -0.595 177.020 177.584 0.051 0.000 1.045 398 A CA -0.673 51.431 52.037 0.112 0.000 0.703 398 A CB 0.899 20.007 19.000 0.180 0.000 1.271 398 A HN 0.045 nan 8.150 nan 0.000 0.400 399 V N 0.235 120.164 119.914 0.026 0.000 2.963 399 V HA 0.295 4.417 4.120 0.003 0.000 0.306 399 V C 0.647 176.724 176.094 -0.029 0.000 1.077 399 V CA 0.451 62.747 62.300 -0.006 0.000 1.124 399 V CB 0.699 32.508 31.823 -0.024 0.000 0.987 399 V HN 0.775 nan 8.190 nan 0.000 0.487 400 D N 1.119 121.496 120.400 -0.038 0.000 2.310 400 D HA -0.062 4.580 4.640 0.003 0.000 0.212 400 D C 1.924 178.195 176.300 -0.049 0.000 0.965 400 D CA 0.884 54.858 54.000 -0.043 0.000 0.879 400 D CB 0.079 40.858 40.800 -0.035 0.000 0.921 400 D HN 0.749 nan 8.370 nan 0.000 0.510 401 E N 0.246 120.408 120.200 -0.062 0.000 2.160 401 E HA -0.145 4.206 4.350 0.003 0.000 0.195 401 E C 2.207 178.828 176.600 0.036 0.000 0.991 401 E CA 0.674 57.054 56.400 -0.034 0.000 0.810 401 E CB -0.045 29.596 29.700 -0.098 0.000 0.742 401 E HN 0.579 nan 8.360 nan 0.000 0.466 402 I N -3.439 117.111 120.570 -0.034 0.000 3.939 402 I HA 0.199 4.371 4.170 0.003 0.000 0.313 402 I C 2.283 178.286 176.117 -0.191 0.000 1.274 402 I CA -0.007 61.207 61.300 -0.144 0.000 1.301 402 I CB 0.052 37.925 38.000 -0.211 0.000 1.105 402 I HN -0.171 nan 8.210 nan 0.000 0.427 403 R N 1.023 121.451 120.500 -0.121 0.000 2.161 403 R HA 0.050 4.392 4.340 0.003 0.000 0.213 403 R C 1.562 177.805 176.300 -0.096 0.000 1.055 403 R CA 0.937 56.970 56.100 -0.113 0.000 0.996 403 R CB 0.340 30.602 30.300 -0.063 0.000 0.901 403 R HN 0.400 nan 8.270 nan 0.000 0.456 404 E N -0.884 119.272 120.200 -0.073 0.000 2.391 404 E HA 0.087 4.438 4.350 0.003 0.000 0.206 404 E C 0.787 177.364 176.600 -0.038 0.000 0.851 404 E CA 0.301 56.670 56.400 -0.051 0.000 1.059 404 E CB 0.736 30.417 29.700 -0.033 0.000 1.065 404 E HN 0.151 nan 8.360 nan 0.000 0.512 405 R N 0.716 121.203 120.500 -0.022 0.000 2.596 405 R HA 0.246 4.587 4.340 0.003 0.000 0.369 405 R C 0.074 176.421 176.300 0.078 0.000 1.042 405 R CA -0.321 55.801 56.100 0.036 0.000 1.120 405 R CB 0.567 30.903 30.300 0.061 0.000 1.353 405 R HN -0.092 nan 8.270 nan 0.000 0.564 406 L N 1.503 122.659 121.223 -0.111 0.000 2.534 406 L HA 0.027 4.369 4.340 0.003 0.000 0.271 406 L C 0.150 176.855 176.870 -0.274 0.000 1.178 406 L CA 1.191 55.760 54.840 -0.453 0.000 0.907 406 L CB -0.535 41.018 42.059 -0.843 0.000 1.164 406 L HN 0.422 nan 8.230 nan 0.000 0.482 407 F N 1.912 121.826 119.950 -0.060 0.000 3.034 407 F HA -0.357 4.171 4.527 0.003 0.000 0.286 407 F C 1.665 177.555 175.800 0.151 0.000 0.804 407 F CA 0.776 58.857 58.000 0.134 0.000 1.161 407 F CB -1.254 37.783 39.000 0.063 0.000 1.317 407 F HN 0.740 nan 8.300 nan 0.000 0.453 408 E N 1.119 121.513 120.200 0.324 0.000 2.097 408 E HA -0.270 4.082 4.350 0.003 0.000 0.196 408 E C 1.807 178.514 176.600 0.178 0.000 1.000 408 E CA 2.045 58.563 56.400 0.198 0.000 0.804 408 E CB -0.065 29.729 29.700 0.157 0.000 0.740 408 E HN 0.690 nan 8.360 nan 0.000 0.454 409 Q N -0.388 119.543 119.800 0.218 0.000 2.436 409 Q HA -0.058 4.283 4.340 0.003 0.000 0.209 409 Q C 1.407 177.475 176.000 0.114 0.000 0.965 409 Q CA 1.067 56.964 55.803 0.156 0.000 0.910 409 Q CB 0.614 29.460 28.738 0.179 0.000 0.980 409 Q HN 0.341 nan 8.270 nan 0.000 0.491 410 V N -2.798 117.189 119.914 0.121 0.000 2.988 410 V HA 0.402 4.524 4.120 0.003 0.000 0.356 410 V C -0.210 175.884 176.094 -0.001 0.000 1.380 410 V CA -0.441 61.867 62.300 0.015 0.000 1.184 410 V CB -0.564 31.197 31.823 -0.103 0.000 1.204 410 V HN 0.209 nan 8.190 nan 0.000 0.530 411 M N -0.965 118.664 119.600 0.048 0.000 3.069 411 M HA 0.454 4.935 4.480 0.003 0.000 0.274 411 M C 0.580 176.911 176.300 0.050 0.000 1.146 411 M CA -0.541 54.786 55.300 0.045 0.000 0.807 411 M CB 1.219 33.860 32.600 0.068 0.000 1.621 411 M HN 0.006 nan 8.290 nan 0.000 0.521 412 R N 0.710 121.235 120.500 0.042 0.000 2.193 412 R HA 0.324 4.666 4.340 0.003 0.000 0.229 412 R C 0.267 176.587 176.300 0.033 0.000 1.110 412 R CA 1.316 57.435 56.100 0.032 0.000 0.988 412 R CB 0.129 30.444 30.300 0.024 0.000 0.871 412 R HN 0.694 nan 8.270 nan 0.000 0.458 413 I N -0.224 120.372 120.570 0.043 0.000 2.913 413 I HA 0.395 4.566 4.170 0.003 0.000 0.302 413 I C -0.751 175.392 176.117 0.043 0.000 1.246 413 I CA -1.157 60.163 61.300 0.034 0.000 1.010 413 I CB 2.217 40.228 38.000 0.018 0.000 1.259 413 I HN 0.163 nan 8.210 nan 0.000 0.434 414 G N 6.168 114.987 108.800 0.031 0.000 2.398 414 G HA2 0.424 4.386 3.960 0.003 0.000 0.246 414 G HA3 0.424 4.386 3.960 0.003 0.000 0.246 414 G C -0.504 174.381 174.900 -0.025 0.000 1.289 414 G CA -0.370 44.742 45.100 0.020 0.000 0.869 414 G HN 0.526 nan 8.290 nan 0.000 0.543 415 L N 1.023 122.199 121.223 -0.078 0.000 2.400 415 L HA 0.437 4.779 4.340 0.003 0.000 0.264 415 L C -0.209 176.555 176.870 -0.177 0.000 1.061 415 L CA -0.944 53.818 54.840 -0.130 0.000 0.799 415 L CB 1.478 43.422 42.059 -0.192 0.000 1.240 415 L HN 0.373 nan 8.230 nan 0.000 0.461 416 D N 0.864 121.158 120.400 -0.176 0.000 2.454 416 D HA 0.157 4.798 4.640 0.003 0.000 0.247 416 D C 0.377 176.524 176.300 -0.255 0.000 1.129 416 D CA -0.509 53.376 54.000 -0.191 0.000 0.877 416 D CB 1.650 42.368 40.800 -0.136 0.000 1.082 416 D HN 0.293 nan 8.370 nan 0.000 0.537 417 L N 6.638 127.649 121.223 -0.353 0.000 1.994 417 L HA 0.063 4.405 4.340 0.003 0.000 0.208 417 L C -1.068 175.522 176.870 -0.465 0.000 1.071 417 L CA 1.977 56.540 54.840 -0.461 0.000 0.745 417 L CB -1.233 40.436 42.059 -0.649 0.000 0.892 417 L HN 0.324 nan 8.230 nan 0.000 0.431 418 P HA -0.150 nan 4.420 nan 0.000 0.215 418 P C 1.566 178.627 177.300 -0.399 0.000 1.153 418 P CA 2.057 64.777 63.100 -0.633 0.000 0.853 418 P CB -0.186 31.336 31.700 -0.297 0.000 0.788 419 A N -0.537 122.145 122.820 -0.231 0.000 1.877 419 A HA -0.176 4.146 4.320 0.003 0.000 0.216 419 A C 2.208 179.699 177.584 -0.155 0.000 1.186 419 A CA 1.465 53.409 52.037 -0.156 0.000 0.620 419 A CB -1.686 17.235 19.000 -0.132 0.000 0.822 419 A HN 0.092 nan 8.150 nan 0.000 0.443 420 L N -0.297 120.838 121.223 -0.147 0.000 2.013 420 L HA -0.288 4.053 4.340 0.003 0.000 0.212 420 L C 2.368 179.220 176.870 -0.029 0.000 1.073 420 L CA 1.975 56.801 54.840 -0.023 0.000 0.753 420 L CB -0.933 41.100 42.059 -0.045 0.000 0.890 420 L HN 0.535 nan 8.230 nan 0.000 0.432 421 N N -0.259 118.316 118.700 -0.207 0.000 2.104 421 N HA -0.218 4.524 4.740 0.003 0.000 0.190 421 N C 1.935 177.400 175.510 -0.076 0.000 1.024 421 N CA 1.374 54.280 53.050 -0.239 0.000 0.853 421 N CB -0.167 37.901 38.487 -0.699 0.000 1.008 421 N HN 0.338 nan 8.380 nan 0.000 0.424 422 M N 0.124 119.693 119.600 -0.051 0.000 2.156 422 M HA -0.132 4.350 4.480 0.003 0.000 0.264 422 M C 2.325 178.632 176.300 0.012 0.000 1.067 422 M CA 1.183 56.517 55.300 0.056 0.000 1.131 422 M CB -0.103 32.559 32.600 0.103 0.000 1.368 422 M HN 0.081 nan 8.290 nan 0.000 0.416 423 Q N 0.765 120.503 119.800 -0.104 0.000 2.084 423 Q HA -0.196 4.146 4.340 0.003 0.000 0.202 423 Q C 1.978 177.931 176.000 -0.078 0.000 0.978 423 Q CA 1.827 57.448 55.803 -0.304 0.000 0.844 423 Q CB -0.134 28.163 28.738 -0.735 0.000 0.898 423 Q HN 0.186 nan 8.270 nan 0.000 0.426 424 R N -0.072 120.536 120.500 0.180 0.000 2.081 424 R HA -0.095 4.246 4.340 0.003 0.000 0.235 424 R C 2.242 178.601 176.300 0.098 0.000 1.131 424 R CA 1.970 58.254 56.100 0.307 0.000 0.960 424 R CB -0.773 29.601 30.300 0.124 0.000 0.856 424 R HN 0.455 nan 8.270 nan 0.000 0.436 425 S N -0.102 115.633 115.700 0.058 0.000 2.400 425 S HA -0.167 4.305 4.470 0.003 0.000 0.232 425 S C 1.914 176.626 174.600 0.186 0.000 1.025 425 S CA 1.159 59.414 58.200 0.092 0.000 0.993 425 S CB -0.331 62.935 63.200 0.110 0.000 0.808 425 S HN 0.407 nan 8.310 nan 0.000 0.478 426 R N 1.132 121.752 120.500 0.199 0.000 2.093 426 R HA 0.046 4.388 4.340 0.003 0.000 0.224 426 R C 2.171 178.625 176.300 0.258 0.000 1.101 426 R CA 1.182 57.418 56.100 0.227 0.000 0.979 426 R CB -0.581 29.867 30.300 0.245 0.000 0.877 426 R HN 0.466 nan 8.270 nan 0.000 0.441 427 D N 0.682 121.295 120.400 0.355 0.000 2.158 427 D HA -0.192 4.450 4.640 0.003 0.000 0.197 427 D C 1.300 177.824 176.300 0.373 0.000 0.995 427 D CA 1.394 55.633 54.000 0.398 0.000 0.846 427 D CB -0.064 41.158 40.800 0.703 0.000 0.941 427 D HN 0.415 nan 8.370 nan 0.000 0.456 428 H N -1.483 117.695 119.070 0.180 0.000 2.539 428 H HA 0.227 4.785 4.556 0.003 0.000 0.267 428 H C 1.191 176.591 175.328 0.119 0.000 0.982 428 H CA 0.116 56.246 56.048 0.138 0.000 1.146 428 H CB 0.307 30.151 29.762 0.137 0.000 1.382 428 H HN 0.290 nan 8.280 nan 0.000 0.577 429 G N 1.666 110.599 108.800 0.221 0.000 2.225 429 G HA2 -0.299 3.663 3.960 0.003 0.000 0.267 429 G HA3 -0.299 3.663 3.960 0.003 0.000 0.267 429 G C 0.183 175.194 174.900 0.185 0.000 1.024 429 G CA 0.005 45.199 45.100 0.156 0.000 0.784 429 G HN 0.286 nan 8.290 nan 0.000 0.507 430 L N 0.416 121.783 121.223 0.242 0.000 2.410 430 L HA 0.295 4.637 4.340 0.003 0.000 0.273 430 L C -1.170 175.891 176.870 0.317 0.000 1.152 430 L CA -1.776 53.254 54.840 0.316 0.000 0.855 430 L CB 0.415 42.656 42.059 0.302 0.000 1.129 430 L HN -0.022 nan 8.230 nan 0.000 0.463 431 P HA 0.054 nan 4.420 nan 0.000 0.271 431 P C 0.137 177.605 177.300 0.281 0.000 1.233 431 P CA -0.218 62.962 63.100 0.132 0.000 0.789 431 P CB 0.518 32.069 31.700 -0.249 0.000 0.951 432 G N -0.375 108.514 108.800 0.148 0.000 2.588 432 G HA2 -0.010 3.952 3.960 0.003 0.000 0.278 432 G HA3 -0.010 3.952 3.960 0.003 0.000 0.278 432 G C 0.349 175.413 174.900 0.274 0.000 1.307 432 G CA -0.207 45.006 45.100 0.189 0.000 1.016 432 G HN 0.502 nan 8.290 nan 0.000 0.503 433 Y N 0.293 120.645 120.300 0.088 0.000 2.081 433 Y HA -0.253 4.298 4.550 0.003 0.000 0.280 433 Y C 2.687 178.651 175.900 0.107 0.000 1.163 433 Y CA 2.664 60.827 58.100 0.104 0.000 1.135 433 Y CB -0.111 38.341 38.460 -0.014 0.000 0.970 433 Y HN 0.412 nan 8.280 nan 0.000 0.498 434 N N 0.319 119.050 118.700 0.051 0.000 2.223 434 N HA -0.143 4.599 4.740 0.003 0.000 0.185 434 N C 1.937 177.383 175.510 -0.107 0.000 1.016 434 N CA 1.305 54.308 53.050 -0.079 0.000 0.863 434 N CB -0.706 37.791 38.487 0.017 0.000 0.983 434 N HN 0.557 nan 8.380 nan 0.000 0.429 435 A N -0.145 122.602 122.820 -0.122 0.000 1.902 435 A HA -0.114 4.207 4.320 0.003 0.000 0.217 435 A C 2.062 179.438 177.584 -0.347 0.000 1.181 435 A CA 1.022 52.902 52.037 -0.262 0.000 0.623 435 A CB -1.027 17.748 19.000 -0.376 0.000 0.818 435 A HN 0.412 nan 8.150 nan 0.000 0.443 436 W N -0.256 121.036 121.300 -0.014 0.000 2.418 436 W HA -0.052 4.609 4.660 0.002 0.000 0.292 436 W C 2.575 179.109 176.519 0.024 0.000 1.213 436 W CA 0.771 58.133 57.345 0.029 0.000 1.283 436 W CB -0.031 29.422 29.460 -0.012 0.000 1.119 436 W HN 0.173 nan 8.180 nan 0.000 0.542 437 R N 0.344 120.845 120.500 0.001 0.000 2.073 437 R HA -0.131 4.211 4.340 0.003 0.000 0.234 437 R C 2.038 178.330 176.300 -0.015 0.000 1.134 437 R CA 1.480 57.524 56.100 -0.093 0.000 0.952 437 R CB -1.082 29.031 30.300 -0.312 0.000 0.850 437 R HN 0.273 nan 8.270 nan 0.000 0.433 438 R N 0.170 120.652 120.500 -0.030 0.000 2.083 438 R HA -0.182 4.159 4.340 0.003 0.000 0.237 438 R C 2.274 178.579 176.300 0.008 0.000 1.137 438 R CA 1.769 57.855 56.100 -0.024 0.000 0.951 438 R CB -0.494 29.779 30.300 -0.045 0.000 0.851 438 R HN 0.163 nan 8.270 nan 0.000 0.434 439 F N 0.663 120.561 119.950 -0.087 0.000 2.120 439 F HA -0.244 4.284 4.527 0.002 0.000 0.300 439 F C 1.816 177.645 175.800 0.047 0.000 1.095 439 F CA 1.499 59.473 58.000 -0.043 0.000 1.249 439 F CB -0.452 38.503 39.000 -0.074 0.000 0.995 439 F HN 0.067 nan 8.300 nan 0.000 0.480 440 c N 1.106 119.685 118.600 -0.035 0.000 2.576 440 c HA 0.351 4.923 4.570 0.003 0.000 0.267 440 c C 1.802 175.859 174.090 -0.055 0.000 1.364 440 c CA 0.657 56.941 56.329 -0.074 0.000 1.723 440 c CB -1.609 40.971 42.510 0.117 0.000 1.778 440 c HN 0.914 nan 8.230 nan 0.000 0.572 441 G N 1.034 109.793 108.800 -0.070 0.000 2.221 441 G HA2 -0.244 3.717 3.960 0.003 0.000 0.265 441 G HA3 -0.244 3.717 3.960 0.003 0.000 0.265 441 G C -0.194 174.694 174.900 -0.020 0.000 1.041 441 G CA 0.012 45.083 45.100 -0.048 0.000 0.807 441 G HN 0.556 nan 8.290 nan 0.000 0.502 442 L N -0.150 121.063 121.223 -0.016 0.000 2.325 442 L HA 0.488 4.830 4.340 0.003 0.000 0.278 442 L C -1.902 174.952 176.870 -0.028 0.000 1.023 442 L CA -2.587 52.245 54.840 -0.014 0.000 0.811 442 L CB 1.778 43.829 42.059 -0.014 0.000 1.249 442 L HN -0.147 nan 8.230 nan 0.000 0.431 443 P HA 0.019 nan 4.420 nan 0.000 0.266 443 P C -1.352 175.938 177.300 -0.017 0.000 1.193 443 P CA -0.109 62.986 63.100 -0.009 0.000 0.770 443 P CB 0.373 32.077 31.700 0.007 0.000 0.836 444 Q N 3.694 123.488 119.800 -0.009 0.000 2.462 444 Q HA 0.300 4.641 4.340 0.003 0.000 0.247 444 Q C -2.130 173.895 176.000 0.042 0.000 1.044 444 Q CA -1.869 53.932 55.803 -0.003 0.000 0.803 444 Q CB 0.502 29.231 28.738 -0.016 0.000 1.190 444 Q HN 0.357 nan 8.270 nan 0.000 0.507 445 P HA -0.051 nan 4.420 nan 0.000 0.267 445 P C -0.372 176.977 177.300 0.083 0.000 1.205 445 P CA 0.138 63.292 63.100 0.089 0.000 0.765 445 P CB 1.317 33.091 31.700 0.124 0.000 0.828 446 E N 0.846 121.080 120.200 0.056 0.000 2.372 446 E HA 0.045 4.397 4.350 0.003 0.000 0.201 446 E C 0.976 177.602 176.600 0.044 0.000 0.938 446 E CA 0.789 57.218 56.400 0.048 0.000 0.944 446 E CB 0.031 29.752 29.700 0.035 0.000 0.937 446 E HN 0.577 nan 8.360 nan 0.000 0.495 447 T N -2.061 112.517 114.554 0.040 0.000 2.952 447 T HA 0.339 4.690 4.350 0.003 0.000 0.286 447 T C 1.209 175.930 174.700 0.034 0.000 1.024 447 T CA -0.524 61.596 62.100 0.034 0.000 1.029 447 T CB 2.152 71.036 68.868 0.027 0.000 1.094 447 T HN -0.189 nan 8.240 nan 0.000 0.515 448 V N 1.748 121.679 119.914 0.029 0.000 2.490 448 V HA 0.058 4.179 4.120 0.003 0.000 0.250 448 V C 2.326 178.433 176.094 0.022 0.000 1.061 448 V CA 2.727 65.042 62.300 0.025 0.000 1.064 448 V CB -1.240 30.596 31.823 0.022 0.000 0.670 448 V HN 1.101 nan 8.190 nan 0.000 0.461 449 G N -1.395 107.418 108.800 0.022 0.000 2.402 449 G HA2 -0.260 3.701 3.960 0.003 0.000 0.216 449 G HA3 -0.260 3.701 3.960 0.003 0.000 0.216 449 G C 1.424 176.338 174.900 0.024 0.000 1.162 449 G CA 0.888 46.000 45.100 0.020 0.000 0.777 449 G HN 0.573 nan 8.290 nan 0.000 0.539 450 Q N -0.662 119.156 119.800 0.029 0.000 2.050 450 Q HA -0.054 4.287 4.340 0.003 0.000 0.202 450 Q C 2.493 178.521 176.000 0.046 0.000 0.980 450 Q CA 1.112 56.937 55.803 0.037 0.000 0.840 450 Q CB -0.293 28.470 28.738 0.041 0.000 0.898 450 Q HN 0.397 nan 8.270 nan 0.000 0.424 451 L N 0.625 121.875 121.223 0.046 0.000 2.042 451 L HA -0.093 4.248 4.340 0.003 0.000 0.210 451 L C 2.096 178.982 176.870 0.026 0.000 1.076 451 L CA 2.312 57.178 54.840 0.044 0.000 0.749 451 L CB -1.105 40.966 42.059 0.020 0.000 0.893 451 L HN 0.203 nan 8.230 nan 0.000 0.432 452 G N -1.975 106.837 108.800 0.019 0.000 2.440 452 G HA2 -0.289 3.673 3.960 0.003 0.000 0.218 452 G HA3 -0.289 3.673 3.960 0.003 0.000 0.218 452 G C 1.470 176.381 174.900 0.018 0.000 1.154 452 G CA 1.295 46.403 45.100 0.013 0.000 0.767 452 G HN 0.439 nan 8.290 nan 0.000 0.552 453 T N 0.564 115.132 114.554 0.024 0.000 2.737 453 T HA -0.090 4.262 4.350 0.003 0.000 0.265 453 T C 2.566 177.285 174.700 0.032 0.000 1.038 453 T CA 1.218 63.333 62.100 0.025 0.000 1.144 453 T CB -0.246 68.637 68.868 0.025 0.000 0.866 453 T HN 0.062 nan 8.240 nan 0.000 0.434 454 V N 1.531 121.473 119.914 0.046 0.000 2.407 454 V HA -0.053 4.069 4.120 0.003 0.000 0.248 454 V C 2.280 178.406 176.094 0.054 0.000 1.055 454 V CA 1.386 63.724 62.300 0.064 0.000 1.049 454 V CB -0.547 31.344 31.823 0.113 0.000 0.662 454 V HN 0.466 nan 8.190 nan 0.000 0.455 455 L N -0.816 120.428 121.223 0.035 0.000 2.554 455 L HA 0.145 4.486 4.340 0.003 0.000 0.226 455 L C 1.030 177.905 176.870 0.007 0.000 1.137 455 L CA 0.161 55.009 54.840 0.013 0.000 0.863 455 L CB -0.384 41.667 42.059 -0.013 0.000 0.985 455 L HN 0.310 nan 8.230 nan 0.000 0.451 456 R N 1.580 122.087 120.500 0.012 0.000 3.322 456 R HA -0.210 4.132 4.340 0.003 0.000 0.253 456 R C -0.225 176.077 176.300 0.004 0.000 0.987 456 R CA 0.428 56.533 56.100 0.009 0.000 0.666 456 R CB -1.908 28.396 30.300 0.008 0.000 1.072 456 R HN 0.374 nan 8.270 nan 0.000 0.447 457 N N 0.206 118.907 118.700 0.003 0.000 3.261 457 N HA 0.001 4.742 4.740 0.003 0.000 0.227 457 N C -0.010 175.500 175.510 -0.000 0.000 1.338 457 N CA -0.344 52.706 53.050 -0.001 0.000 0.833 457 N CB 0.863 39.347 38.487 -0.006 0.000 1.606 457 N HN 0.078 nan 8.380 nan 0.000 0.649 458 L N 4.030 125.255 121.223 0.003 0.000 2.093 458 L HA 0.120 4.462 4.340 0.003 0.000 0.208 458 L C 2.202 179.074 176.870 0.003 0.000 1.085 458 L CA 1.963 56.806 54.840 0.005 0.000 0.755 458 L CB -0.265 41.797 42.059 0.006 0.000 0.904 458 L HN 0.623 nan 8.230 nan 0.000 0.435 459 K N -0.897 119.504 120.400 0.002 0.000 2.026 459 K HA -0.219 4.103 4.320 0.003 0.000 0.208 459 K C 2.128 178.729 176.600 0.001 0.000 1.048 459 K CA 1.845 58.134 56.287 0.002 0.000 0.929 459 K CB -0.319 32.182 32.500 0.002 0.000 0.713 459 K HN 0.315 nan 8.250 nan 0.000 0.439 460 L N 1.073 122.295 121.223 -0.003 0.000 2.056 460 L HA -0.032 4.310 4.340 0.003 0.000 0.207 460 L C 2.220 179.085 176.870 -0.008 0.000 1.078 460 L CA 2.062 56.897 54.840 -0.008 0.000 0.749 460 L CB -0.862 41.186 42.059 -0.019 0.000 0.901 460 L HN 0.236 nan 8.230 nan 0.000 0.433 461 A N -0.296 122.518 122.820 -0.010 0.000 1.917 461 A HA -0.258 4.064 4.320 0.003 0.000 0.219 461 A C 2.455 180.044 177.584 0.008 0.000 1.182 461 A CA 1.995 54.027 52.037 -0.009 0.000 0.633 461 A CB -0.594 18.404 19.000 -0.003 0.000 0.819 461 A HN 0.520 nan 8.150 nan 0.000 0.448 462 R N -0.433 120.073 120.500 0.009 0.000 2.073 462 R HA -0.133 4.208 4.340 0.003 0.000 0.234 462 R C 2.295 178.605 176.300 0.016 0.000 1.134 462 R CA 1.810 57.918 56.100 0.013 0.000 0.952 462 R CB -0.311 29.994 30.300 0.009 0.000 0.850 462 R HN 0.541 nan 8.270 nan 0.000 0.433 463 K N 0.554 120.962 120.400 0.013 0.000 2.032 463 K HA -0.144 4.177 4.320 0.003 0.000 0.209 463 K C 2.158 178.776 176.600 0.030 0.000 1.048 463 K CA 1.319 57.613 56.287 0.012 0.000 0.927 463 K CB -0.218 32.287 32.500 0.009 0.000 0.712 463 K HN 0.116 nan 8.250 nan 0.000 0.441 464 L N 0.338 121.597 121.223 0.060 0.000 2.046 464 L HA -0.201 4.141 4.340 0.003 0.000 0.208 464 L C 2.596 179.574 176.870 0.179 0.000 1.077 464 L CA 0.885 55.818 54.840 0.156 0.000 0.747 464 L CB -0.328 41.781 42.059 0.083 0.000 0.896 464 L HN 0.257 nan 8.230 nan 0.000 0.432 465 M N -0.586 119.069 119.600 0.091 0.000 2.117 465 M HA -0.227 4.254 4.480 0.003 0.000 0.262 465 M C 2.257 178.596 176.300 0.064 0.000 1.065 465 M CA 1.616 56.966 55.300 0.082 0.000 1.114 465 M CB -1.048 31.581 32.600 0.048 0.000 1.361 465 M HN 0.331 nan 8.290 nan 0.000 0.408 466 E N -0.317 119.902 120.200 0.031 0.000 2.204 466 E HA -0.198 4.154 4.350 0.003 0.000 0.194 466 E C 1.776 178.359 176.600 -0.030 0.000 0.989 466 E CA 0.871 57.273 56.400 0.004 0.000 0.824 466 E CB 0.268 29.964 29.700 -0.006 0.000 0.756 466 E HN 0.471 nan 8.360 nan 0.000 0.477 467 Q N -0.820 118.943 119.800 -0.062 0.000 2.123 467 Q HA -0.069 4.272 4.340 0.003 0.000 0.196 467 Q C 1.458 177.312 176.000 -0.244 0.000 0.958 467 Q CA 1.098 56.767 55.803 -0.222 0.000 0.841 467 Q CB -0.068 28.422 28.738 -0.414 0.000 0.915 467 Q HN 0.451 nan 8.270 nan 0.000 0.455 468 Y N -1.069 119.236 120.300 0.008 0.000 2.507 468 Y HA 0.227 4.779 4.550 0.003 0.000 0.263 468 Y C 1.777 177.689 175.900 0.020 0.000 1.093 468 Y CA 0.608 58.718 58.100 0.017 0.000 1.285 468 Y CB 0.499 38.971 38.460 0.019 0.000 1.115 468 Y HN 0.272 nan 8.280 nan 0.000 0.533 469 G N -0.233 108.658 108.800 0.153 0.000 2.458 469 G HA2 -0.320 3.642 3.960 0.003 0.000 0.237 469 G HA3 -0.320 3.642 3.960 0.003 0.000 0.237 469 G C 0.541 175.497 174.900 0.094 0.000 1.113 469 G CA 0.771 45.929 45.100 0.096 0.000 0.655 469 G HN 0.482 nan 8.290 nan 0.000 0.513 470 T N -0.072 114.552 114.554 0.117 0.000 2.956 470 T HA 0.628 4.979 4.350 0.003 0.000 0.312 470 T C -2.242 172.502 174.700 0.073 0.000 1.151 470 T CA -0.442 61.709 62.100 0.084 0.000 1.024 470 T CB 2.190 71.100 68.868 0.070 0.000 1.140 470 T HN -0.087 nan 8.240 nan 0.000 0.473 471 P HA 0.015 nan 4.420 nan 0.000 0.225 471 P C 1.226 178.592 177.300 0.110 0.000 1.148 471 P CA 0.535 63.675 63.100 0.066 0.000 0.779 471 P CB 0.162 31.937 31.700 0.124 0.000 0.780 472 N N -0.502 118.247 118.700 0.081 0.000 2.289 472 N HA -0.092 4.650 4.740 0.003 0.000 0.184 472 N C 0.952 176.492 175.510 0.049 0.000 1.016 472 N CA 1.054 54.144 53.050 0.067 0.000 0.872 472 N CB -0.602 37.913 38.487 0.047 0.000 0.973 472 N HN 0.182 nan 8.380 nan 0.000 0.433 473 N N 0.262 118.974 118.700 0.021 0.000 2.236 473 N HA 0.185 4.926 4.740 0.003 0.000 0.196 473 N C 0.010 175.359 175.510 -0.269 0.000 1.114 473 N CA -0.111 52.943 53.050 0.006 0.000 0.859 473 N CB 0.599 39.165 38.487 0.132 0.000 0.982 473 N HN 0.231 nan 8.380 nan 0.000 0.493 474 I N 1.992 122.259 120.570 -0.506 0.000 2.742 474 I HA -0.094 4.077 4.170 0.003 0.000 0.287 474 I C 0.253 176.113 176.117 -0.428 0.000 1.186 474 I CA 0.277 60.943 61.300 -1.056 0.000 1.417 474 I CB 0.250 37.855 38.000 -0.658 0.000 1.377 474 I HN -0.080 nan 8.210 nan 0.000 0.556 475 D N 5.850 126.047 120.400 -0.339 0.000 2.443 475 D HA -0.053 4.589 4.640 0.003 0.000 0.239 475 D C 1.119 177.481 176.300 0.103 0.000 1.136 475 D CA -0.083 53.951 54.000 0.056 0.000 0.879 475 D CB 1.422 42.347 40.800 0.209 0.000 1.195 475 D HN 0.442 nan 8.370 nan 0.000 0.443 476 I N 1.925 122.590 120.570 0.158 0.000 2.208 476 I HA -0.217 3.954 4.170 0.003 0.000 0.245 476 I C 1.949 178.127 176.117 0.100 0.000 1.097 476 I CA 1.352 62.727 61.300 0.124 0.000 1.363 476 I CB -0.245 37.732 38.000 -0.038 0.000 1.051 476 I HN 0.638 nan 8.210 nan 0.000 0.413 477 W N 0.351 121.644 121.300 -0.012 0.000 2.355 477 W HA -0.292 4.369 4.660 0.002 0.000 0.309 477 W C 2.472 179.001 176.519 0.016 0.000 1.206 477 W CA 2.284 59.622 57.345 -0.011 0.000 1.284 477 W CB -0.390 29.064 29.460 -0.010 0.000 1.145 477 W HN 0.234 nan 8.180 nan 0.000 0.502 478 M N 0.948 120.675 119.600 0.213 0.000 2.086 478 M HA 0.032 4.514 4.480 0.003 0.000 0.261 478 M C 2.221 178.414 176.300 -0.179 0.000 1.067 478 M CA 2.597 57.916 55.300 0.032 0.000 1.116 478 M CB -1.302 31.452 32.600 0.256 0.000 1.348 478 M HN 0.055 nan 8.290 nan 0.000 0.407 479 G N -1.249 107.467 108.800 -0.140 0.000 2.418 479 G HA2 -0.098 3.863 3.960 0.003 0.000 0.217 479 G HA3 -0.098 3.863 3.960 0.003 0.000 0.217 479 G C 1.502 176.344 174.900 -0.098 0.000 1.158 479 G CA 0.741 45.694 45.100 -0.245 0.000 0.771 479 G HN 0.640 nan 8.290 nan 0.000 0.545 480 G N 0.761 109.528 108.800 -0.055 0.000 2.459 480 G HA2 -0.180 3.781 3.960 0.003 0.000 0.217 480 G HA3 -0.180 3.781 3.960 0.003 0.000 0.217 480 G C 1.933 176.705 174.900 -0.213 0.000 1.183 480 G CA 2.200 47.248 45.100 -0.086 0.000 0.776 480 G HN 0.897 nan 8.290 nan 0.000 0.552 481 V N -1.616 118.029 119.914 -0.447 0.000 3.141 481 V HA 0.057 4.178 4.120 0.003 0.000 0.265 481 V C 2.356 178.275 176.094 -0.291 0.000 1.126 481 V CA 2.095 64.124 62.300 -0.452 0.000 1.141 481 V CB -0.083 31.230 31.823 -0.851 0.000 0.743 481 V HN 0.188 nan 8.190 nan 0.000 0.492 482 S N -0.181 115.370 115.700 -0.247 0.000 2.436 482 S HA 0.073 4.545 4.470 0.003 0.000 0.228 482 S C 0.815 175.354 174.600 -0.101 0.000 1.014 482 S CA 0.295 58.396 58.200 -0.165 0.000 0.950 482 S CB -0.258 62.833 63.200 -0.182 0.000 0.784 482 S HN 0.791 nan 8.310 nan 0.000 0.504 483 E N 2.646 122.804 120.200 -0.070 0.000 2.392 483 E HA 0.115 4.466 4.350 0.003 0.000 0.264 483 E C -2.462 174.122 176.600 -0.028 0.000 1.024 483 E CA -1.809 54.581 56.400 -0.017 0.000 0.903 483 E CB 0.166 29.888 29.700 0.036 0.000 0.963 483 E HN 0.182 nan 8.360 nan 0.000 0.432 484 P HA -0.030 nan 4.420 nan 0.000 0.268 484 P C -0.410 176.880 177.300 -0.016 0.000 1.204 484 P CA 0.291 63.383 63.100 -0.013 0.000 0.768 484 P CB 0.507 32.205 31.700 -0.003 0.000 0.842 485 L N 2.817 124.028 121.223 -0.021 0.000 2.416 485 L HA 0.182 4.524 4.340 0.003 0.000 0.272 485 L C 1.284 178.142 176.870 -0.021 0.000 1.161 485 L CA -0.306 54.517 54.840 -0.029 0.000 0.845 485 L CB -0.215 41.827 42.059 -0.028 0.000 1.119 485 L HN 0.297 nan 8.230 nan 0.000 0.464 486 K N 2.295 122.680 120.400 -0.025 0.000 2.380 486 K HA 0.090 4.412 4.320 0.003 0.000 0.267 486 K C 0.277 176.868 176.600 -0.016 0.000 0.990 486 K CA -0.405 55.873 56.287 -0.014 0.000 0.946 486 K CB 0.403 32.897 32.500 -0.009 0.000 0.937 486 K HN 0.467 nan 8.250 nan 0.000 0.491 487 R N 2.322 122.816 120.500 -0.009 0.000 2.504 487 R HA -0.140 4.202 4.340 0.003 0.000 0.291 487 R C -0.465 175.829 176.300 -0.011 0.000 0.974 487 R CA 0.918 57.013 56.100 -0.008 0.000 1.077 487 R CB 0.046 30.344 30.300 -0.004 0.000 0.926 487 R HN 0.658 nan 8.270 nan 0.000 0.407 488 K N 0.796 121.189 120.400 -0.011 0.000 3.130 488 K HA -0.208 4.114 4.320 0.003 0.000 0.282 488 K C -0.053 176.529 176.600 -0.029 0.000 1.145 488 K CA 1.060 57.339 56.287 -0.013 0.000 0.831 488 K CB -1.126 31.370 32.500 -0.007 0.000 1.226 488 K HN 0.931 nan 8.250 nan 0.000 0.478 489 G N -0.731 108.046 108.800 -0.038 0.000 2.730 489 G HA2 0.612 4.573 3.960 0.003 0.000 0.289 489 G HA3 0.612 4.573 3.960 0.003 0.000 0.289 489 G C -0.206 174.652 174.900 -0.070 0.000 1.341 489 G CA -0.740 44.319 45.100 -0.068 0.000 0.932 489 G HN 0.043 nan 8.290 nan 0.000 0.481 490 R N -0.442 119.992 120.500 -0.110 0.000 2.629 490 R HA 0.282 4.624 4.340 0.003 0.000 0.408 490 R C -0.047 176.177 176.300 -0.125 0.000 1.057 490 R CA -0.077 55.978 56.100 -0.074 0.000 1.119 490 R CB 0.409 30.703 30.300 -0.009 0.000 1.403 490 R HN 0.603 nan 8.270 nan 0.000 0.576 491 V N -4.218 115.586 119.914 -0.184 0.000 3.130 491 V HA 0.912 5.034 4.120 0.003 0.000 0.310 491 V C 0.396 176.422 176.094 -0.113 0.000 1.158 491 V CA -1.085 61.096 62.300 -0.200 0.000 1.029 491 V CB 1.705 33.307 31.823 -0.368 0.000 1.057 491 V HN 0.057 nan 8.190 nan 0.000 0.436 492 G N 0.111 108.860 108.800 -0.085 0.000 2.535 492 G HA2 0.553 4.515 3.960 0.003 0.000 0.282 492 G HA3 0.553 4.515 3.960 0.003 0.000 0.282 492 G C -1.842 173.048 174.900 -0.016 0.000 1.350 492 G CA -0.917 44.162 45.100 -0.035 0.000 1.039 492 G HN 0.642 nan 8.290 nan 0.000 0.509 493 P HA -0.092 nan 4.420 nan 0.000 0.215 493 P C 2.080 179.405 177.300 0.041 0.000 1.153 493 P CA 0.391 63.521 63.100 0.049 0.000 0.853 493 P CB 0.122 31.856 31.700 0.056 0.000 0.788 494 L N -0.813 120.430 121.223 0.033 0.000 1.976 494 L HA -0.124 4.217 4.340 0.003 0.000 0.209 494 L C 2.241 179.109 176.870 -0.004 0.000 1.071 494 L CA 1.844 56.703 54.840 0.033 0.000 0.746 494 L CB -1.445 40.644 42.059 0.049 0.000 0.890 494 L HN -0.138 nan 8.230 nan 0.000 0.432 495 L N -0.628 120.570 121.223 -0.041 0.000 2.083 495 L HA -0.184 4.157 4.340 0.003 0.000 0.209 495 L C 2.649 179.454 176.870 -0.108 0.000 1.083 495 L CA 1.078 55.866 54.840 -0.087 0.000 0.752 495 L CB -0.941 41.032 42.059 -0.142 0.000 0.899 495 L HN 0.414 nan 8.230 nan 0.000 0.433 496 A N -0.557 122.198 122.820 -0.108 0.000 1.902 496 A HA -0.296 4.025 4.320 0.003 0.000 0.217 496 A C 2.540 179.919 177.584 -0.341 0.000 1.181 496 A CA 1.866 53.830 52.037 -0.122 0.000 0.623 496 A CB -1.258 17.743 19.000 0.002 0.000 0.818 496 A HN 0.623 nan 8.150 nan 0.000 0.443 497 c N -0.327 118.065 118.600 -0.346 0.000 2.436 497 c HA -0.079 4.493 4.570 0.003 0.000 0.277 497 c C 2.523 176.379 174.090 -0.391 0.000 1.241 497 c CA 1.220 57.147 56.329 -0.671 0.000 1.721 497 c CB -1.439 41.000 42.510 -0.118 0.000 2.043 497 c HN 0.572 nan 8.230 nan 0.000 0.472 498 I N 0.843 121.355 120.570 -0.097 0.000 2.179 498 I HA -0.168 4.003 4.170 0.003 0.000 0.242 498 I C 2.498 178.672 176.117 0.094 0.000 1.088 498 I CA 1.945 63.264 61.300 0.030 0.000 1.357 498 I CB -0.379 37.607 38.000 -0.024 0.000 1.051 498 I HN 0.353 nan 8.210 nan 0.000 0.409 499 I N 0.393 121.033 120.570 0.118 0.000 2.202 499 I HA -0.165 4.007 4.170 0.003 0.000 0.242 499 I C 2.674 178.977 176.117 0.311 0.000 1.091 499 I CA 1.515 63.038 61.300 0.371 0.000 1.368 499 I CB -0.933 37.280 38.000 0.354 0.000 1.058 499 I HN 0.256 nan 8.210 nan 0.000 0.410 500 G N 0.292 109.113 108.800 0.035 0.000 2.418 500 G HA2 -0.216 3.746 3.960 0.003 0.000 0.217 500 G HA3 -0.216 3.746 3.960 0.003 0.000 0.217 500 G C 1.666 176.615 174.900 0.081 0.000 1.158 500 G CA 1.365 46.495 45.100 0.050 0.000 0.771 500 G HN 0.264 nan 8.290 nan 0.000 0.545 501 T N 0.456 114.966 114.554 -0.073 0.000 2.708 501 T HA -0.155 4.197 4.350 0.003 0.000 0.266 501 T C 2.346 177.066 174.700 0.034 0.000 1.037 501 T CA 1.717 63.846 62.100 0.047 0.000 1.146 501 T CB -0.193 68.716 68.868 0.067 0.000 0.865 501 T HN 0.326 nan 8.240 nan 0.000 0.435 502 Q N 0.452 120.225 119.800 -0.045 0.000 2.030 502 Q HA -0.064 4.277 4.340 0.003 0.000 0.204 502 Q C 1.809 177.591 176.000 -0.364 0.000 0.986 502 Q CA 1.820 57.435 55.803 -0.313 0.000 0.843 502 Q CB -0.709 27.620 28.738 -0.681 0.000 0.904 502 Q HN 0.563 nan 8.270 nan 0.000 0.420 503 F N -0.032 119.851 119.950 -0.111 0.000 2.293 503 F HA -0.007 4.521 4.527 0.003 0.000 0.300 503 F C 2.455 178.346 175.800 0.151 0.000 1.086 503 F CA 1.199 59.196 58.000 -0.006 0.000 1.375 503 F CB -0.239 38.681 39.000 -0.133 0.000 1.045 503 F HN 0.109 nan 8.300 nan 0.000 0.516 504 R N 0.797 121.444 120.500 0.244 0.000 2.075 504 R HA -0.152 4.190 4.340 0.003 0.000 0.232 504 R C 2.066 178.423 176.300 0.095 0.000 1.126 504 R CA 1.435 57.648 56.100 0.188 0.000 0.963 504 R CB -0.105 30.294 30.300 0.165 0.000 0.858 504 R HN 0.199 nan 8.270 nan 0.000 0.435 505 K N 0.275 120.704 120.400 0.049 0.000 2.057 505 K HA -0.090 4.231 4.320 0.003 0.000 0.207 505 K C 2.066 178.686 176.600 0.033 0.000 1.049 505 K CA 1.265 57.563 56.287 0.019 0.000 0.931 505 K CB -0.102 32.381 32.500 -0.029 0.000 0.714 505 K HN 0.195 nan 8.250 nan 0.000 0.440 506 L N 0.464 121.691 121.223 0.007 0.000 2.265 506 L HA -0.142 4.199 4.340 0.003 0.000 0.215 506 L C 2.638 179.613 176.870 0.175 0.000 1.117 506 L CA 0.947 55.836 54.840 0.082 0.000 0.782 506 L CB -0.297 41.777 42.059 0.026 0.000 0.914 506 L HN 0.210 nan 8.230 nan 0.000 0.441 507 R N 0.164 120.658 120.500 -0.011 0.000 2.048 507 R HA -0.091 4.251 4.340 0.003 0.000 0.221 507 R C 1.754 177.868 176.300 -0.309 0.000 1.174 507 R CA 1.273 57.043 56.100 -0.550 0.000 0.971 507 R CB 0.021 29.778 30.300 -0.905 0.000 0.863 507 R HN 0.160 nan 8.270 nan 0.000 0.439 508 D N -0.371 119.979 120.400 -0.082 0.000 2.219 508 D HA -0.060 4.582 4.640 0.003 0.000 0.205 508 D C 1.237 177.648 176.300 0.186 0.000 0.970 508 D CA 1.348 55.394 54.000 0.076 0.000 0.851 508 D CB -0.159 40.658 40.800 0.029 0.000 0.943 508 D HN 0.502 nan 8.370 nan 0.000 0.488 509 G N -0.301 108.629 108.800 0.216 0.000 3.371 509 G HA2 0.004 3.965 3.960 0.003 0.000 0.248 509 G HA3 0.004 3.965 3.960 0.003 0.000 0.248 509 G C -0.264 174.976 174.900 0.565 0.000 1.161 509 G CA -0.278 45.026 45.100 0.340 0.000 0.796 509 G HN -0.017 nan 8.290 nan 0.000 0.539 510 D N 0.004 120.688 120.400 0.474 0.000 2.349 510 D HA 0.206 4.847 4.640 0.003 0.000 0.232 510 D C 1.352 177.551 176.300 -0.167 0.000 1.071 510 D CA -0.808 53.337 54.000 0.241 0.000 0.832 510 D CB 1.337 42.369 40.800 0.387 0.000 1.086 510 D HN 0.061 nan 8.370 nan 0.000 0.504 511 R N 2.803 122.831 120.500 -0.788 0.000 2.189 511 R HA -0.013 4.329 4.340 0.003 0.000 0.223 511 R C 0.506 176.254 176.300 -0.919 0.000 1.092 511 R CA 1.053 56.252 56.100 -1.502 0.000 0.989 511 R CB -0.001 29.390 30.300 -1.515 0.000 0.876 511 R HN 0.377 nan 8.270 nan 0.000 0.457 512 F N -0.397 119.351 119.950 -0.336 0.000 2.684 512 F HA 0.174 4.702 4.527 0.002 0.000 0.298 512 F C 0.330 176.109 175.800 -0.035 0.000 1.120 512 F CA -0.889 56.989 58.000 -0.204 0.000 1.332 512 F CB 0.053 38.905 39.000 -0.246 0.000 0.986 512 F HN 0.086 nan 8.300 nan 0.000 0.524 513 W N 3.171 124.459 121.300 -0.021 0.000 2.257 513 W HA -0.138 4.523 4.660 0.002 0.000 0.337 513 W C 1.301 177.846 176.519 0.044 0.000 1.321 513 W CA -0.495 56.848 57.345 -0.003 0.000 1.267 513 W CB 0.452 29.826 29.460 -0.144 0.000 1.187 513 W HN 0.535 nan 8.180 nan 0.000 0.565 514 W N 4.551 125.399 121.300 -0.753 0.000 2.364 514 W HA -0.187 4.475 4.660 0.003 0.000 0.281 514 W C 0.685 177.143 176.519 -0.102 0.000 1.219 514 W CA 1.433 58.625 57.345 -0.254 0.000 1.220 514 W CB -0.706 28.576 29.460 -0.296 0.000 1.127 514 W HN 0.468 nan 8.180 nan 0.000 0.556 515 E N 0.694 120.224 120.200 -1.118 0.000 2.478 515 E HA -0.082 4.270 4.350 0.003 0.000 0.194 515 E C 0.372 176.986 176.600 0.023 0.000 1.045 515 E CA -0.250 55.737 56.400 -0.689 0.000 0.868 515 E CB -0.256 28.983 29.700 -0.770 0.000 0.885 515 E HN 0.020 nan 8.360 nan 0.000 0.505 516 N N 2.635 121.439 118.700 0.173 0.000 2.454 516 N HA -0.112 4.630 4.740 0.003 0.000 0.260 516 N C -0.215 175.361 175.510 0.109 0.000 1.218 516 N CA 0.209 53.421 53.050 0.269 0.000 0.904 516 N CB 0.569 39.176 38.487 0.200 0.000 1.065 516 N HN -0.074 nan 8.380 nan 0.000 0.462 517 E N 2.615 122.871 120.200 0.092 0.000 2.529 517 E HA 0.083 4.435 4.350 0.003 0.000 0.259 517 E C 0.877 177.474 176.600 -0.005 0.000 0.966 517 E CA 1.316 57.737 56.400 0.034 0.000 0.937 517 E CB 0.001 29.713 29.700 0.019 0.000 0.923 517 E HN 0.832 nan 8.360 nan 0.000 0.468 518 G N 2.941 111.730 108.800 -0.017 0.000 2.254 518 G HA2 -0.296 3.665 3.960 0.003 0.000 0.225 518 G HA3 -0.296 3.665 3.960 0.003 0.000 0.225 518 G C 0.967 175.812 174.900 -0.092 0.000 1.003 518 G CA 0.202 45.270 45.100 -0.053 0.000 0.622 518 G HN 0.460 nan 8.290 nan 0.000 0.507 519 V N -0.136 119.717 119.914 -0.101 0.000 2.302 519 V HA 0.372 4.494 4.120 0.003 0.000 0.243 519 V C 1.133 176.991 176.094 -0.394 0.000 1.036 519 V CA 1.889 64.051 62.300 -0.231 0.000 1.020 519 V CB -0.360 31.354 31.823 -0.183 0.000 0.657 519 V HN 0.260 nan 8.190 nan 0.000 0.453 520 F N -0.520 119.424 119.950 -0.010 0.000 2.577 520 F HA 0.548 5.078 4.527 0.004 0.000 0.318 520 F C 0.538 176.289 175.800 -0.081 0.000 1.065 520 F CA -0.960 57.006 58.000 -0.056 0.000 0.929 520 F CB 1.576 40.587 39.000 0.017 0.000 1.237 520 F HN -0.053 nan 8.300 nan 0.000 0.468 521 S N 2.142 117.886 115.700 0.073 0.000 2.593 521 S HA 0.146 4.618 4.470 0.003 0.000 0.269 521 S C 1.271 175.884 174.600 0.022 0.000 1.334 521 S CA -0.590 57.612 58.200 0.003 0.000 1.015 521 S CB 0.703 63.863 63.200 -0.067 0.000 0.912 521 S HN 0.942 nan 8.310 nan 0.000 0.541 522 M N 1.316 120.925 119.600 0.014 0.000 2.106 522 M HA -0.212 4.270 4.480 0.003 0.000 0.259 522 M C 2.208 178.519 176.300 0.019 0.000 1.068 522 M CA 1.910 57.224 55.300 0.023 0.000 1.100 522 M CB -0.419 32.191 32.600 0.015 0.000 1.351 522 M HN 0.891 nan 8.290 nan 0.000 0.404 523 Q N -0.528 119.267 119.800 -0.009 0.000 2.245 523 Q HA -0.148 4.193 4.340 0.003 0.000 0.201 523 Q C 1.620 177.595 176.000 -0.042 0.000 0.955 523 Q CA 1.222 57.019 55.803 -0.011 0.000 0.870 523 Q CB -0.630 28.099 28.738 -0.015 0.000 0.945 523 Q HN 0.686 nan 8.270 nan 0.000 0.461 524 Q N 0.689 120.409 119.800 -0.133 0.000 2.123 524 Q HA 0.019 4.360 4.340 0.003 0.000 0.199 524 Q C 2.227 178.163 176.000 -0.108 0.000 0.966 524 Q CA 0.802 56.416 55.803 -0.315 0.000 0.845 524 Q CB 0.103 28.511 28.738 -0.550 0.000 0.907 524 Q HN 0.374 nan 8.270 nan 0.000 0.439 525 R N 0.303 120.823 120.500 0.034 0.000 2.096 525 R HA -0.145 4.197 4.340 0.003 0.000 0.235 525 R C 2.329 178.745 176.300 0.195 0.000 1.127 525 R CA 1.007 57.244 56.100 0.229 0.000 0.968 525 R CB -0.198 30.242 30.300 0.234 0.000 0.861 525 R HN 0.252 nan 8.270 nan 0.000 0.440 526 Q N 1.029 120.895 119.800 0.109 0.000 2.084 526 Q HA -0.125 4.216 4.340 0.003 0.000 0.202 526 Q C 1.907 177.951 176.000 0.073 0.000 0.978 526 Q CA 2.073 57.929 55.803 0.088 0.000 0.844 526 Q CB -0.094 28.681 28.738 0.062 0.000 0.898 526 Q HN 0.327 nan 8.270 nan 0.000 0.426 527 A N 0.737 123.611 122.820 0.091 0.000 1.873 527 A HA -0.100 4.222 4.320 0.003 0.000 0.215 527 A C 2.323 179.930 177.584 0.038 0.000 1.186 527 A CA 1.160 53.270 52.037 0.121 0.000 0.616 527 A CB -0.727 18.469 19.000 0.326 0.000 0.823 527 A HN 0.413 nan 8.150 nan 0.000 0.442 528 L N -0.634 120.585 121.223 -0.008 0.000 2.131 528 L HA -0.164 4.178 4.340 0.003 0.000 0.210 528 L C 2.923 179.636 176.870 -0.262 0.000 1.092 528 L CA 0.796 55.505 54.840 -0.219 0.000 0.759 528 L CB -0.452 41.337 42.059 -0.451 0.000 0.903 528 L HN 0.437 nan 8.230 nan 0.000 0.435 529 A N -0.714 122.037 122.820 -0.116 0.000 2.186 529 A HA -0.179 4.143 4.320 0.003 0.000 0.219 529 A C 1.966 179.520 177.584 -0.051 0.000 1.159 529 A CA 1.156 53.165 52.037 -0.046 0.000 0.680 529 A CB -0.202 18.852 19.000 0.089 0.000 0.787 529 A HN 0.422 nan 8.150 nan 0.000 0.467 530 Q N -0.510 119.253 119.800 -0.061 0.000 2.360 530 Q HA 0.189 4.531 4.340 0.003 0.000 0.202 530 Q C 0.529 176.479 176.000 -0.083 0.000 0.915 530 Q CA -0.043 55.728 55.803 -0.053 0.000 0.943 530 Q CB -0.618 28.100 28.738 -0.034 0.000 1.064 530 Q HN 0.874 nan 8.270 nan 0.000 0.511 531 I N -0.878 119.616 120.570 -0.127 0.000 2.662 531 I HA 0.469 4.641 4.170 0.003 0.000 0.291 531 I C 0.102 176.148 176.117 -0.118 0.000 1.046 531 I CA -0.405 60.813 61.300 -0.136 0.000 1.361 531 I CB 1.412 39.303 38.000 -0.182 0.000 1.429 531 I HN -0.056 nan 8.210 nan 0.000 0.558 532 S N 4.487 120.123 115.700 -0.107 0.000 2.547 532 S HA 0.403 4.874 4.470 0.003 0.000 0.270 532 S C 0.200 174.737 174.600 -0.105 0.000 1.150 532 S CA -0.794 57.343 58.200 -0.106 0.000 0.850 532 S CB 1.296 64.434 63.200 -0.103 0.000 1.118 532 S HN 0.902 nan 8.310 nan 0.000 0.461 533 L N 2.021 123.169 121.223 -0.125 0.000 2.042 533 L HA 0.210 4.552 4.340 0.003 0.000 0.210 533 L C -1.123 175.687 176.870 -0.100 0.000 1.076 533 L CA 1.873 56.645 54.840 -0.114 0.000 0.749 533 L CB -1.734 40.226 42.059 -0.164 0.000 0.893 533 L HN 0.623 nan 8.230 nan 0.000 0.432 534 P HA -0.194 nan 4.420 nan 0.000 0.215 534 P C 1.558 178.825 177.300 -0.055 0.000 1.157 534 P CA 1.400 64.449 63.100 -0.084 0.000 0.868 534 P CB -0.058 31.575 31.700 -0.111 0.000 0.788 535 R N 0.173 120.634 120.500 -0.066 0.000 2.091 535 R HA -0.097 4.245 4.340 0.003 0.000 0.238 535 R C 2.158 178.427 176.300 -0.051 0.000 1.136 535 R CA 1.584 57.651 56.100 -0.055 0.000 0.959 535 R CB -1.543 28.717 30.300 -0.067 0.000 0.856 535 R HN 0.138 nan 8.270 nan 0.000 0.437 536 I N -0.013 120.521 120.570 -0.059 0.000 2.226 536 I HA -0.280 3.892 4.170 0.003 0.000 0.245 536 I C 2.108 178.203 176.117 -0.037 0.000 1.100 536 I CA 1.385 62.653 61.300 -0.052 0.000 1.374 536 I CB -0.313 37.655 38.000 -0.054 0.000 1.057 536 I HN 0.156 nan 8.210 nan 0.000 0.413 537 I N 0.228 120.781 120.570 -0.029 0.000 2.163 537 I HA -0.346 3.826 4.170 0.003 0.000 0.243 537 I C 2.713 178.826 176.117 -0.007 0.000 1.085 537 I CA 1.304 62.596 61.300 -0.013 0.000 1.347 537 I CB -0.602 37.401 38.000 0.004 0.000 1.044 537 I HN 0.356 nan 8.210 nan 0.000 0.408 538 c N 0.596 119.193 118.600 -0.005 0.000 2.413 538 c HA -0.191 4.381 4.570 0.003 0.000 0.277 538 c C 2.322 176.405 174.090 -0.012 0.000 1.265 538 c CA 0.889 57.218 56.329 0.000 0.000 1.752 538 c CB -1.040 41.469 42.510 -0.002 0.000 1.998 538 c HN 0.520 nan 8.230 nan 0.000 0.489 539 D N 0.043 120.429 120.400 -0.024 0.000 2.347 539 D HA -0.008 4.634 4.640 0.003 0.000 0.213 539 D C 1.067 177.351 176.300 -0.027 0.000 0.985 539 D CA 0.837 54.819 54.000 -0.030 0.000 0.879 539 D CB -0.298 40.475 40.800 -0.044 0.000 0.919 539 D HN 0.619 nan 8.370 nan 0.000 0.526 540 N N -0.003 118.682 118.700 -0.024 0.000 2.184 540 N HA 0.012 4.754 4.740 0.003 0.000 0.234 540 N C 0.054 175.550 175.510 -0.023 0.000 1.282 540 N CA 0.123 53.159 53.050 -0.024 0.000 0.877 540 N CB 1.828 40.299 38.487 -0.027 0.000 1.184 540 N HN 0.119 nan 8.380 nan 0.000 0.510 541 T N -4.655 109.887 114.554 -0.019 0.000 2.838 541 T HA 0.500 4.852 4.350 0.003 0.000 0.292 541 T C 1.068 175.758 174.700 -0.017 0.000 1.113 541 T CA -0.563 61.525 62.100 -0.021 0.000 1.008 541 T CB 1.772 70.627 68.868 -0.022 0.000 1.259 541 T HN -0.100 nan 8.240 nan 0.000 0.520 542 G N -0.109 108.677 108.800 -0.024 0.000 2.572 542 G HA2 0.202 4.163 3.960 0.003 0.000 0.216 542 G HA3 0.202 4.163 3.960 0.003 0.000 0.216 542 G C 0.621 175.510 174.900 -0.017 0.000 1.133 542 G CA -0.250 44.838 45.100 -0.021 0.000 0.791 542 G HN 0.801 nan 8.290 nan 0.000 0.538 543 I N 2.425 122.984 120.570 -0.020 0.000 2.662 543 I HA 0.023 4.195 4.170 0.003 0.000 0.285 543 I C 1.561 177.704 176.117 0.044 0.000 1.161 543 I CA 0.393 61.693 61.300 -0.001 0.000 1.415 543 I CB 1.141 39.141 38.000 -0.001 0.000 1.385 543 I HN 0.086 nan 8.210 nan 0.000 0.552 544 T N -0.339 114.255 114.554 0.067 0.000 3.044 544 T HA 0.130 4.482 4.350 0.003 0.000 0.260 544 T C 0.582 175.359 174.700 0.128 0.000 1.019 544 T CA -0.134 62.012 62.100 0.078 0.000 0.921 544 T CB 0.132 69.034 68.868 0.056 0.000 1.053 544 T HN 0.481 nan 8.240 nan 0.000 0.533 545 T N 2.809 117.489 114.554 0.209 0.000 2.809 545 T HA 0.665 5.017 4.350 0.003 0.000 0.284 545 T C -0.578 174.388 174.700 0.443 0.000 0.992 545 T CA -0.570 61.719 62.100 0.315 0.000 0.957 545 T CB 1.683 70.789 68.868 0.396 0.000 0.942 545 T HN 0.407 nan 8.240 nan 0.000 0.439 546 V N 0.890 121.020 119.914 0.361 0.000 3.040 546 V HA 0.776 4.897 4.120 0.003 0.000 0.312 546 V C 0.173 176.261 176.094 -0.011 0.000 1.115 546 V CA -1.071 61.406 62.300 0.294 0.000 0.998 546 V CB 1.905 33.797 31.823 0.115 0.000 1.042 546 V HN 0.720 nan 8.190 nan 0.000 0.433 547 S N 1.784 117.249 115.700 -0.391 0.000 2.563 547 S HA 0.187 4.659 4.470 0.003 0.000 0.284 547 S C 0.164 174.508 174.600 -0.427 0.000 1.331 547 S CA -0.182 57.502 58.200 -0.859 0.000 1.047 547 S CB -0.054 62.764 63.200 -0.636 0.000 0.859 547 S HN 0.757 nan 8.310 nan 0.000 0.514 548 K N 2.212 122.372 120.400 -0.400 0.000 2.237 548 K HA 0.134 4.455 4.320 0.003 0.000 0.270 548 K C -0.057 176.422 176.600 -0.202 0.000 1.015 548 K CA -0.239 55.914 56.287 -0.223 0.000 0.949 548 K CB 0.350 32.749 32.500 -0.169 0.000 0.976 548 K HN 0.580 nan 8.250 nan 0.000 0.472 549 N N 1.782 120.394 118.700 -0.147 0.000 2.513 549 N HA -0.043 4.699 4.740 0.003 0.000 0.268 549 N C -0.377 175.074 175.510 -0.097 0.000 1.180 549 N CA -0.326 52.645 53.050 -0.131 0.000 0.948 549 N CB 0.373 38.802 38.487 -0.096 0.000 1.083 549 N HN 0.391 nan 8.380 nan 0.000 0.455 550 N N 2.573 121.225 118.700 -0.081 0.000 2.430 550 N HA 0.057 4.798 4.740 0.003 0.000 0.265 550 N C 0.747 176.157 175.510 -0.167 0.000 1.100 550 N CA -0.055 52.933 53.050 -0.102 0.000 0.961 550 N CB 0.720 39.203 38.487 -0.008 0.000 1.075 550 N HN 0.631 nan 8.380 nan 0.000 0.478 551 I N 3.520 123.900 120.570 -0.316 0.000 2.399 551 I HA -0.267 3.905 4.170 0.003 0.000 0.254 551 I C 0.888 176.851 176.117 -0.257 0.000 1.146 551 I CA 1.376 62.454 61.300 -0.369 0.000 1.412 551 I CB 0.015 37.715 38.000 -0.500 0.000 1.076 551 I HN 0.511 nan 8.210 nan 0.000 0.432 552 F N -0.591 119.369 119.950 0.017 0.000 2.558 552 F HA -0.093 4.436 4.527 0.003 0.000 0.298 552 F C 2.232 178.043 175.800 0.018 0.000 1.119 552 F CA 0.402 58.429 58.000 0.046 0.000 1.451 552 F CB -0.068 38.990 39.000 0.096 0.000 1.091 552 F HN 0.128 nan 8.300 nan 0.000 0.563 553 M N -0.791 118.880 119.600 0.118 0.000 2.557 553 M HA 0.114 4.596 4.480 0.003 0.000 0.262 553 M C 0.801 177.108 176.300 0.010 0.000 1.168 553 M CA 0.549 55.884 55.300 0.059 0.000 1.194 553 M CB 0.298 32.918 32.600 0.033 0.000 1.311 553 M HN -0.251 nan 8.290 nan 0.000 0.489 554 S N 2.667 118.336 115.700 -0.050 0.000 2.546 554 S HA 0.020 4.491 4.470 0.003 0.000 0.290 554 S C 0.292 174.861 174.600 -0.053 0.000 1.290 554 S CA 0.342 58.480 58.200 -0.103 0.000 1.069 554 S CB 0.072 63.122 63.200 -0.250 0.000 0.846 554 S HN 0.692 nan 8.310 nan 0.000 0.495 555 N N -0.328 118.379 118.700 0.012 0.000 1.958 555 N HA 0.016 4.758 4.740 0.003 0.000 0.223 555 N C -0.732 174.875 175.510 0.161 0.000 1.395 555 N CA -0.293 52.810 53.050 0.089 0.000 0.737 555 N CB 0.382 38.903 38.487 0.057 0.000 1.155 555 N HN 0.316 nan 8.380 nan 0.000 0.529 556 S N 0.489 116.304 115.700 0.191 0.000 2.640 556 S HA 0.423 4.895 4.470 0.003 0.000 0.320 556 S C -1.645 173.136 174.600 0.302 0.000 1.097 556 S CA -0.596 57.715 58.200 0.186 0.000 1.092 556 S CB 0.286 63.537 63.200 0.085 0.000 0.988 556 S HN 0.288 nan 8.310 nan 0.000 0.470 557 Y N 6.870 127.181 120.300 0.017 0.000 2.334 557 Y HA 0.571 5.123 4.550 0.003 0.000 0.328 557 Y C -1.304 174.497 175.900 -0.165 0.000 1.130 557 Y CA -1.665 56.267 58.100 -0.280 0.000 1.163 557 Y CB 1.291 39.116 38.460 -1.059 0.000 1.207 557 Y HN 0.558 nan 8.280 nan 0.000 0.471 558 P HA 0.062 nan 4.420 nan 0.000 0.255 558 P C 1.065 178.236 177.300 -0.214 0.000 1.248 558 P CA 0.366 62.912 63.100 -0.922 0.000 0.807 558 P CB 0.195 31.236 31.700 -1.099 0.000 1.150 559 R N 1.422 121.872 120.500 -0.083 0.000 2.119 559 R HA -0.130 4.212 4.340 0.003 0.000 0.246 559 R C 0.280 176.589 176.300 0.015 0.000 1.146 559 R CA 1.762 57.848 56.100 -0.024 0.000 0.962 559 R CB -0.183 30.111 30.300 -0.011 0.000 0.863 559 R HN 0.081 nan 8.270 nan 0.000 0.442 560 D N -0.904 119.551 120.400 0.091 0.000 2.525 560 D HA 0.118 4.760 4.640 0.003 0.000 0.229 560 D C -0.800 175.318 176.300 -0.303 0.000 1.202 560 D CA 0.214 54.168 54.000 -0.076 0.000 0.828 560 D CB 0.053 40.779 40.800 -0.124 0.000 1.008 560 D HN 0.047 nan 8.370 nan 0.000 0.493 561 F N 0.480 120.366 119.950 -0.106 0.000 2.561 561 F HA 0.490 5.018 4.527 0.003 0.000 0.321 561 F C 0.310 176.069 175.800 -0.068 0.000 1.065 561 F CA -1.194 56.757 58.000 -0.081 0.000 0.934 561 F CB 2.061 41.013 39.000 -0.079 0.000 1.215 561 F HN -0.275 nan 8.300 nan 0.000 0.471 562 V N -0.785 119.200 119.914 0.119 0.000 3.147 562 V HA 0.596 4.717 4.120 0.003 0.000 0.306 562 V C -1.076 175.079 176.094 0.101 0.000 1.209 562 V CA -1.217 61.124 62.300 0.068 0.000 1.023 562 V CB 1.687 33.513 31.823 0.004 0.000 1.059 562 V HN 0.639 nan 8.190 nan 0.000 0.435 563 N N 0.405 119.149 118.700 0.074 0.000 2.508 563 N HA 0.282 5.024 4.740 0.003 0.000 0.264 563 N C 1.031 176.572 175.510 0.052 0.000 1.216 563 N CA -0.107 52.988 53.050 0.076 0.000 0.943 563 N CB 0.922 39.442 38.487 0.054 0.000 1.113 563 N HN 0.893 nan 8.380 nan 0.000 0.447 564 c N 0.065 118.698 118.600 0.055 0.000 2.413 564 c HA -0.160 4.412 4.570 0.003 0.000 0.277 564 c C 2.681 176.780 174.090 0.014 0.000 1.265 564 c CA 1.375 57.723 56.329 0.031 0.000 1.752 564 c CB -1.341 41.189 42.510 0.032 0.000 1.998 564 c HN 0.893 nan 8.230 nan 0.000 0.489 565 S N 1.168 116.878 115.700 0.016 0.000 2.420 565 S HA -0.214 4.258 4.470 0.003 0.000 0.237 565 S C 1.540 176.141 174.600 0.002 0.000 1.023 565 S CA 2.115 60.319 58.200 0.008 0.000 0.991 565 S CB -1.146 62.061 63.200 0.011 0.000 0.792 565 S HN 0.803 nan 8.310 nan 0.000 0.488 566 T N -0.282 114.274 114.554 0.003 0.000 3.148 566 T HA 0.348 4.700 4.350 0.003 0.000 0.253 566 T C 0.394 175.088 174.700 -0.010 0.000 1.134 566 T CA -0.208 61.890 62.100 -0.003 0.000 1.051 566 T CB -0.630 68.237 68.868 -0.003 0.000 0.959 566 T HN 0.404 nan 8.240 nan 0.000 0.525 567 L N 3.005 124.221 121.223 -0.012 0.000 2.298 567 L HA 0.481 4.823 4.340 0.003 0.000 0.284 567 L C -2.415 174.441 176.870 -0.023 0.000 1.013 567 L CA -2.525 52.303 54.840 -0.021 0.000 0.824 567 L CB 1.309 43.352 42.059 -0.026 0.000 1.221 567 L HN -0.068 nan 8.230 nan 0.000 0.418 568 P HA 0.173 nan 4.420 nan 0.000 0.276 568 P C -0.441 176.837 177.300 -0.037 0.000 1.243 568 P CA -0.194 62.890 63.100 -0.026 0.000 0.768 568 P CB 1.460 33.148 31.700 -0.020 0.000 0.856 569 A N 4.390 127.186 122.820 -0.040 0.000 2.351 569 A HA 0.251 4.573 4.320 0.003 0.000 0.257 569 A C 0.236 177.782 177.584 -0.065 0.000 1.087 569 A CA -0.645 51.359 52.037 -0.055 0.000 0.798 569 A CB -0.101 18.867 19.000 -0.053 0.000 1.033 569 A HN 0.646 nan 8.150 nan 0.000 0.488 570 L N 1.633 122.801 121.223 -0.093 0.000 2.628 570 L HA -0.015 4.327 4.340 0.003 0.000 0.274 570 L C 0.289 177.098 176.870 -0.101 0.000 1.209 570 L CA 0.480 55.251 54.840 -0.116 0.000 0.930 570 L CB -0.450 41.498 42.059 -0.186 0.000 1.183 570 L HN 0.717 nan 8.230 nan 0.000 0.492 571 N N 5.285 123.957 118.700 -0.047 0.000 2.415 571 N HA 0.141 4.882 4.740 0.003 0.000 0.246 571 N C 0.094 175.632 175.510 0.048 0.000 1.078 571 N CA -0.107 52.941 53.050 -0.002 0.000 0.942 571 N CB 0.335 38.843 38.487 0.034 0.000 1.140 571 N HN 0.762 nan 8.380 nan 0.000 0.501 572 L N 2.584 123.798 121.223 -0.014 0.000 2.653 572 L HA 0.239 4.581 4.340 0.003 0.000 0.232 572 L C 1.930 178.962 176.870 0.270 0.000 1.169 572 L CA -0.163 54.706 54.840 0.047 0.000 0.951 572 L CB -0.250 41.665 42.059 -0.240 0.000 1.181 572 L HN 0.516 nan 8.230 nan 0.000 0.460 573 A N 0.733 123.666 122.820 0.188 0.000 1.940 573 A HA -0.231 4.091 4.320 0.003 0.000 0.219 573 A C 2.456 180.141 177.584 0.170 0.000 1.176 573 A CA 2.126 54.244 52.037 0.134 0.000 0.631 573 A CB -0.501 18.547 19.000 0.080 0.000 0.814 573 A HN 0.532 nan 8.150 nan 0.000 0.446 574 S N -2.314 113.522 115.700 0.228 0.000 2.603 574 S HA -0.079 4.393 4.470 0.003 0.000 0.229 574 S C 1.328 175.939 174.600 0.018 0.000 0.972 574 S CA 0.217 58.467 58.200 0.082 0.000 0.935 574 S CB -0.567 62.616 63.200 -0.028 0.000 0.769 574 S HN 0.718 nan 8.310 nan 0.000 0.536 575 W N 1.646 122.971 121.300 0.041 0.000 3.197 575 W HA 0.337 4.999 4.660 0.003 0.000 0.274 575 W C 0.944 177.437 176.519 -0.045 0.000 1.297 575 W CA -0.753 56.640 57.345 0.080 0.000 1.662 575 W CB 0.023 29.547 29.460 0.107 0.000 1.106 575 W HN 0.254 nan 8.180 nan 0.000 0.663 576 R N 2.289 122.840 120.500 0.085 0.000 2.484 576 R HA -0.066 4.276 4.340 0.003 0.000 0.293 576 R C 1.100 177.366 176.300 -0.057 0.000 1.023 576 R CA 0.902 56.968 56.100 -0.057 0.000 1.037 576 R CB 0.364 30.645 30.300 -0.030 0.000 0.951 576 R HN 0.071 nan 8.270 nan 0.000 0.418 577 E N 3.518 123.635 120.200 -0.138 0.000 2.250 577 E HA 0.028 4.379 4.350 0.003 0.000 0.192 577 E C 0.636 177.224 176.600 -0.019 0.000 0.986 577 E CA 0.611 56.996 56.400 -0.026 0.000 0.849 577 E CB 0.102 29.806 29.700 0.006 0.000 0.797 577 E HN 0.846 nan 8.360 nan 0.000 0.482 578 A N 0.000 122.785 122.820 -0.059 0.000 2.254 578 A HA 0.000 4.322 4.320 0.003 0.000 0.244 578 A CA 0.000 52.015 52.037 -0.036 0.000 0.836 578 A CB 0.000 18.981 19.000 -0.032 0.000 0.831 578 A HN 0.000 nan 8.150 nan 0.000 0.486