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 2jjd_1_E DATA FIRST_RESID 111 DATA SEQUENCE KYFPIPVEHL EEEIRIRXXX XCKQFREEFN SLPSGHIQGT FELANKEENR DATA SEQUENCE EKNRYPNILP NDHSRVILSQ LXGIPCSDYI NASYIDGYKE KNKFIAAQGP DATA SEQUENCE KQETVNDFWR MVWEQKSATI VMLTNLKERK EEKCHQYWPD QGcWTYGNIR DATA SEQUENCE VcVEDCVVLV DYTIRKFCIQ PXXXXXXKAP RLVSQLHFTS WPDFGVPFTP DATA SEQUENCE IGMLKFLKKV KTLNPVHAGP IVVHCSAGVG RTGTFIVIDA MMAMMHAEQK DATA SEQUENCE VDVFEFVSRI RNQRPQMVQT DMQYTFIYQA LLEYYLYGDT ELDVSSXXXX DATA SEQUENCE XXXXXXXXXX XXXXGLEEEF RKLTNVRIMK ENMRTGNLPA NMKKARVIQI DATA SEQUENCE IPYDFNRVIL SMXXXXXYTD YINASFIDGY RQKDYFIATQ GPLAHTVEDF DATA SEQUENCE WRMIWEWKSH TIVMLTEVQE REQDKCYQYW PTEGSVTHGE ITIEIKNDTL DATA SEQUENCE SEAISIRDFL VTLNXXXXXX GEQVRVVRQF HFHGWPEIGI PAEGKGMIDL DATA SEQUENCE IAAVQKQQQQ TGNHPITVHC SAGAGRTGTF IALSNILERV KAEGLLDVFQ DATA SEQUENCE AVKSLRLQRP HMVQTLEQYE FCYKVVQDFI D 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 111 K HA 0.000 nan 4.320 nan 0.000 0.191 111 K C 0.000 175.889 176.600 -1.185 0.000 0.988 111 K CA 0.000 55.906 56.287 -0.636 0.000 0.838 111 K CB 0.000 32.078 32.500 -0.704 0.000 1.064 112 Y N 1.367 121.318 120.300 -0.582 0.000 2.388 112 Y HA 0.692 5.242 4.550 -0.001 0.000 0.328 112 Y C -0.085 175.709 175.900 -0.175 0.000 0.963 112 Y CA -1.437 56.328 58.100 -0.559 0.000 1.240 112 Y CB 0.901 38.949 38.460 -0.687 0.000 1.118 112 Y HN 0.286 nan 8.280 nan 0.000 0.484 113 F N 2.983 123.003 119.950 0.118 0.000 2.411 113 F HA 0.612 5.138 4.527 -0.001 0.000 0.324 113 F C -1.920 173.974 175.800 0.157 0.000 1.086 113 F CA -2.865 55.209 58.000 0.123 0.000 1.028 113 F CB 0.253 39.289 39.000 0.059 0.000 1.284 113 F HN 0.247 nan 8.300 nan 0.000 0.501 114 P HA 0.138 nan 4.420 nan 0.000 0.268 114 P C -0.699 176.719 177.300 0.196 0.000 1.205 114 P CA 0.101 63.341 63.100 0.234 0.000 0.771 114 P CB 0.499 32.309 31.700 0.183 0.000 0.858 115 I N 4.962 125.630 120.570 0.163 0.000 2.304 115 I HA 0.235 4.405 4.170 -0.001 0.000 0.291 115 I C -2.102 174.065 176.117 0.084 0.000 1.018 115 I CA -2.530 58.853 61.300 0.138 0.000 1.260 115 I CB 1.219 39.311 38.000 0.153 0.000 1.390 115 I HN 0.125 nan 8.210 nan 0.000 0.475 116 P HA -0.034 nan 4.420 nan 0.000 0.268 116 P C 1.134 178.385 177.300 -0.083 0.000 1.204 116 P CA -0.249 62.871 63.100 0.033 0.000 0.768 116 P CB 0.757 32.529 31.700 0.119 0.000 0.842 117 V N 0.798 120.576 119.914 -0.226 0.000 2.469 117 V HA -0.276 3.844 4.120 -0.001 0.000 0.251 117 V C 2.321 178.096 176.094 -0.532 0.000 1.064 117 V CA 2.251 64.240 62.300 -0.518 0.000 1.066 117 V CB -2.304 29.055 31.823 -0.773 0.000 0.667 117 V HN 0.483 nan 8.190 nan 0.000 0.461 118 E N 0.408 120.401 120.200 -0.345 0.000 2.147 118 E HA -0.307 4.042 4.350 -0.001 0.000 0.199 118 E C 1.918 178.271 176.600 -0.412 0.000 1.005 118 E CA 2.174 58.357 56.400 -0.360 0.000 0.810 118 E CB -1.068 28.340 29.700 -0.487 0.000 0.736 118 E HN 0.954 nan 8.360 nan 0.000 0.460 119 H N -1.670 117.358 119.070 -0.069 0.000 2.542 119 H HA 0.261 4.816 4.556 -0.001 0.000 0.283 119 H C 1.748 177.053 175.328 -0.039 0.000 1.059 119 H CA 0.264 56.291 56.048 -0.035 0.000 1.162 119 H CB 0.555 30.307 29.762 -0.017 0.000 1.539 119 H HN 0.316 nan 8.280 nan 0.000 0.543 120 L N 2.101 123.314 121.223 -0.017 0.000 2.005 120 L HA -0.137 4.203 4.340 -0.001 0.000 0.207 120 L C 2.553 179.451 176.870 0.048 0.000 1.072 120 L CA 2.599 57.440 54.840 0.003 0.000 0.744 120 L CB -0.948 41.044 42.059 -0.112 0.000 0.895 120 L HN 0.349 nan 8.230 nan 0.000 0.433 121 E N -0.217 120.010 120.200 0.044 0.000 2.086 121 E HA -0.297 4.052 4.350 -0.001 0.000 0.200 121 E C 2.092 178.718 176.600 0.043 0.000 1.012 121 E CA 2.449 58.882 56.400 0.056 0.000 0.812 121 E CB -1.530 28.204 29.700 0.056 0.000 0.743 121 E HN 0.734 nan 8.360 nan 0.000 0.453 122 E N -0.117 120.111 120.200 0.046 0.000 2.047 122 E HA -0.021 4.329 4.350 -0.001 0.000 0.191 122 E C 2.294 178.891 176.600 -0.006 0.000 0.987 122 E CA 2.287 58.704 56.400 0.029 0.000 0.799 122 E CB -1.263 28.470 29.700 0.055 0.000 0.752 122 E HN 0.908 nan 8.360 nan 0.000 0.449 123 E N 0.708 120.908 120.200 -0.000 0.000 2.204 123 E HA -0.049 4.300 4.350 -0.001 0.000 0.195 123 E C 2.061 178.577 176.600 -0.141 0.000 0.990 123 E CA 1.170 57.534 56.400 -0.061 0.000 0.821 123 E CB -0.512 29.178 29.700 -0.017 0.000 0.750 123 E HN 0.556 nan 8.360 nan 0.000 0.477 124 I N 0.761 121.299 120.570 -0.054 0.000 2.202 124 I HA -0.209 3.961 4.170 -0.001 0.000 0.242 124 I C 3.203 179.271 176.117 -0.083 0.000 1.091 124 I CA 1.797 63.079 61.300 -0.031 0.000 1.368 124 I CB -1.530 36.535 38.000 0.108 0.000 1.058 124 I HN 0.522 nan 8.210 nan 0.000 0.410 125 R N 1.143 121.616 120.500 -0.045 0.000 2.083 125 R HA -0.173 4.167 4.340 -0.001 0.000 0.237 125 R C 2.444 178.687 176.300 -0.095 0.000 1.137 125 R CA 2.352 58.426 56.100 -0.043 0.000 0.951 125 R CB -2.116 28.172 30.300 -0.019 0.000 0.851 125 R HN 0.427 nan 8.270 nan 0.000 0.434 126 I N 1.585 122.080 120.570 -0.125 0.000 2.264 126 I HA -0.015 4.154 4.170 -0.001 0.000 0.248 126 I C 1.941 177.922 176.117 -0.227 0.000 1.111 126 I CA 1.723 62.934 61.300 -0.148 0.000 1.382 126 I CB -0.819 37.096 38.000 -0.142 0.000 1.060 126 I HN 0.585 nan 8.210 nan 0.000 0.418 133 K N 0.016 120.441 120.400 0.042 0.000 1.977 133 K HA 0.053 4.372 4.320 -0.001 0.000 0.218 133 K C 2.312 178.937 176.600 0.042 0.000 1.051 133 K CA 3.629 59.939 56.287 0.038 0.000 0.953 133 K CB -1.180 31.325 32.500 0.008 0.000 0.727 133 K HN 2.023 nan 8.250 nan 0.000 0.445 134 Q N -0.461 119.317 119.800 -0.036 0.000 2.234 134 Q HA -0.001 4.338 4.340 -0.001 0.000 0.206 134 Q C 2.162 178.169 176.000 0.010 0.000 0.980 134 Q CA 1.863 57.632 55.803 -0.057 0.000 0.869 134 Q CB -0.767 27.870 28.738 -0.167 0.000 0.912 134 Q HN 0.681 nan 8.270 nan 0.000 0.436 135 F N 0.492 120.464 119.950 0.036 0.000 2.128 135 F HA 0.024 4.551 4.527 -0.001 0.000 0.295 135 F C 3.134 179.003 175.800 0.114 0.000 1.100 135 F CA 1.446 59.495 58.000 0.082 0.000 1.260 135 F CB -0.979 38.061 39.000 0.067 0.000 1.009 135 F HN 0.439 nan 8.300 nan 0.000 0.476 136 R N 0.670 121.347 120.500 0.295 0.000 2.103 136 R HA -0.163 4.176 4.340 -0.001 0.000 0.242 136 R C 2.093 178.511 176.300 0.197 0.000 1.142 136 R CA 2.232 58.463 56.100 0.217 0.000 0.960 136 R CB -2.105 28.285 30.300 0.150 0.000 0.858 136 R HN 0.449 nan 8.270 nan 0.000 0.439 137 E N 0.828 121.120 120.200 0.154 0.000 2.072 137 E HA -0.191 4.158 4.350 -0.001 0.000 0.191 137 E C 1.888 178.568 176.600 0.134 0.000 0.985 137 E CA 1.441 57.917 56.400 0.128 0.000 0.801 137 E CB -0.539 29.226 29.700 0.107 0.000 0.750 137 E HN 0.877 nan 8.360 nan 0.000 0.452 138 E N -1.195 119.085 120.200 0.132 0.000 2.058 138 E HA -0.156 4.194 4.350 -0.001 0.000 0.194 138 E C 1.980 178.519 176.600 -0.102 0.000 0.997 138 E CA 1.405 57.732 56.400 -0.122 0.000 0.801 138 E CB -0.339 29.252 29.700 -0.181 0.000 0.746 138 E HN 0.538 nan 8.360 nan 0.000 0.450 139 F N 2.082 121.864 119.950 -0.280 0.000 2.161 139 F HA -0.155 4.372 4.527 -0.001 0.000 0.300 139 F C 1.679 177.364 175.800 -0.191 0.000 1.089 139 F CA 1.492 59.201 58.000 -0.485 0.000 1.282 139 F CB -0.212 38.536 39.000 -0.421 0.000 1.010 139 F HN 0.048 nan 8.300 nan 0.000 0.485 140 N N -0.260 118.368 118.700 -0.121 0.000 2.521 140 N HA -0.048 4.692 4.740 -0.001 0.000 0.188 140 N C 1.412 176.865 175.510 -0.095 0.000 1.146 140 N CA 0.959 53.917 53.050 -0.154 0.000 0.893 140 N CB -0.159 38.329 38.487 0.003 0.000 0.975 140 N HN 0.213 nan 8.380 nan 0.000 0.451 141 S N -0.084 115.611 115.700 -0.008 0.000 2.535 141 S HA 0.238 4.708 4.470 -0.001 0.000 0.214 141 S C 0.764 175.461 174.600 0.162 0.000 0.980 141 S CA -0.326 57.953 58.200 0.132 0.000 0.907 141 S CB 0.585 63.946 63.200 0.269 0.000 0.790 141 S HN 0.200 nan 8.310 nan 0.000 0.510 142 L N 3.721 124.914 121.223 -0.050 0.000 2.456 142 L HA 0.193 4.532 4.340 -0.001 0.000 0.272 142 L C -2.028 174.723 176.870 -0.197 0.000 1.189 142 L CA -1.446 53.237 54.840 -0.261 0.000 0.846 142 L CB -0.101 41.702 42.059 -0.427 0.000 1.111 142 L HN 0.036 nan 8.230 nan 0.000 0.475 143 P HA 0.176 nan 4.420 nan 0.000 0.280 143 P C -0.558 176.669 177.300 -0.121 0.000 1.244 143 P CA -0.403 62.632 63.100 -0.108 0.000 0.784 143 P CB 0.966 32.618 31.700 -0.081 0.000 0.913 144 S N 1.749 117.407 115.700 -0.070 0.000 2.531 144 S HA 0.372 4.842 4.470 -0.001 0.000 0.279 144 S C 1.335 175.902 174.600 -0.054 0.000 1.305 144 S CA -0.209 57.969 58.200 -0.036 0.000 1.058 144 S CB -0.242 63.020 63.200 0.103 0.000 0.899 144 S HN 0.565 nan 8.310 nan 0.000 0.493 145 G N 1.443 110.145 108.800 -0.164 0.000 3.324 145 G HA2 0.220 4.179 3.960 -0.001 0.000 0.232 145 G HA3 0.220 4.179 3.960 -0.001 0.000 0.232 145 G C 0.700 175.523 174.900 -0.129 0.000 1.213 145 G CA 0.061 45.070 45.100 -0.151 0.000 1.637 145 G HN 0.868 nan 8.290 nan 0.000 0.572 146 H N -0.354 118.780 119.070 0.108 0.000 2.594 146 H HA 0.174 4.729 4.556 -0.001 0.000 0.274 146 H C 2.367 177.794 175.328 0.165 0.000 0.982 146 H CA -0.045 56.103 56.048 0.167 0.000 1.228 146 H CB 0.445 30.215 29.762 0.013 0.000 1.447 146 H HN 0.394 nan 8.280 nan 0.000 0.485 147 I N 1.130 121.816 120.570 0.192 0.000 2.226 147 I HA -0.254 3.916 4.170 -0.001 0.000 0.245 147 I C 2.194 178.368 176.117 0.094 0.000 1.100 147 I CA 1.297 62.669 61.300 0.120 0.000 1.374 147 I CB -0.010 38.031 38.000 0.068 0.000 1.057 147 I HN 0.078 nan 8.210 nan 0.000 0.413 148 Q N 0.088 119.925 119.800 0.062 0.000 2.425 148 Q HA 0.211 4.551 4.340 -0.001 0.000 0.204 148 Q C 0.860 176.851 176.000 -0.015 0.000 0.933 148 Q CA 0.488 56.297 55.803 0.010 0.000 0.939 148 Q CB 0.065 28.789 28.738 -0.024 0.000 1.044 148 Q HN 0.696 nan 8.270 nan 0.000 0.513 149 G N -0.469 108.344 108.800 0.022 0.000 2.522 149 G HA2 0.508 4.467 3.960 -0.001 0.000 0.304 149 G HA3 0.508 4.467 3.960 -0.001 0.000 0.304 149 G C -0.519 174.249 174.900 -0.220 0.000 1.210 149 G CA -0.209 44.796 45.100 -0.159 0.000 0.960 149 G HN 0.208 nan 8.290 nan 0.000 0.497 150 T N -0.387 113.851 114.554 -0.526 0.000 2.893 150 T HA 0.502 4.852 4.350 -0.001 0.000 0.291 150 T C -0.928 173.336 174.700 -0.726 0.000 1.028 150 T CA -0.105 61.776 62.100 -0.364 0.000 0.995 150 T CB 1.221 69.996 68.868 -0.155 0.000 1.051 150 T HN 0.304 nan 8.240 nan 0.000 0.470 151 F N 0.158 120.139 119.950 0.052 0.000 2.777 151 F HA 0.343 4.870 4.527 -0.001 0.000 0.361 151 F C 1.741 177.557 175.800 0.026 0.000 1.254 151 F CA -0.508 57.524 58.000 0.053 0.000 1.181 151 F CB -0.354 38.686 39.000 0.067 0.000 1.082 151 F HN 0.708 nan 8.300 nan 0.000 0.510 152 E N 1.035 121.298 120.200 0.104 0.000 2.038 152 E HA -0.138 4.211 4.350 -0.001 0.000 0.195 152 E C 2.409 179.024 176.600 0.025 0.000 1.000 152 E CA 2.107 58.543 56.400 0.059 0.000 0.803 152 E CB -0.943 28.776 29.700 0.031 0.000 0.750 152 E HN 0.355 nan 8.360 nan 0.000 0.448 153 L N 0.305 121.539 121.223 0.019 0.000 2.141 153 L HA 0.549 4.889 4.340 -0.001 0.000 0.209 153 L C 3.009 179.772 176.870 -0.179 0.000 1.094 153 L CA 2.408 57.227 54.840 -0.034 0.000 0.763 153 L CB -1.544 40.540 42.059 0.041 0.000 0.908 153 L HN 0.726 nan 8.230 nan 0.000 0.437 154 A N -0.225 122.557 122.820 -0.064 0.000 1.969 154 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 154 A C 2.014 179.491 177.584 -0.179 0.000 1.169 154 A CA 1.673 53.617 52.037 -0.155 0.000 0.635 154 A CB -0.654 18.473 19.000 0.211 0.000 0.810 154 A HN 0.750 nan 8.150 nan 0.000 0.445 155 N N -0.387 118.273 118.700 -0.067 0.000 2.336 155 N HA 0.207 4.947 4.740 -0.001 0.000 0.189 155 N C 0.554 176.017 175.510 -0.079 0.000 1.113 155 N CA 0.730 53.749 53.050 -0.053 0.000 0.858 155 N CB -0.110 38.379 38.487 0.003 0.000 0.970 155 N HN 0.495 nan 8.380 nan 0.000 0.471 156 K N 1.109 121.436 120.400 -0.122 0.000 2.524 156 K HA 0.204 4.524 4.320 -0.001 0.000 0.279 156 K C 1.362 177.907 176.600 -0.093 0.000 0.993 156 K CA 0.690 56.917 56.287 -0.101 0.000 1.030 156 K CB -0.818 31.610 32.500 -0.120 0.000 0.891 156 K HN 0.384 nan 8.250 nan 0.000 0.488 157 E N 1.394 121.559 120.200 -0.058 0.000 2.065 157 E HA -0.241 4.108 4.350 -0.001 0.000 0.201 157 E C 2.441 179.011 176.600 -0.051 0.000 1.016 157 E CA 2.868 59.241 56.400 -0.046 0.000 0.818 157 E CB -1.543 28.139 29.700 -0.031 0.000 0.749 157 E HN 1.156 nan 8.360 nan 0.000 0.453 158 E N 1.287 121.457 120.200 -0.050 0.000 2.114 158 E HA -0.286 4.064 4.350 -0.001 0.000 0.199 158 E C 1.964 178.531 176.600 -0.054 0.000 1.008 158 E CA 1.743 58.118 56.400 -0.041 0.000 0.810 158 E CB -0.863 28.818 29.700 -0.032 0.000 0.739 158 E HN 0.585 nan 8.360 nan 0.000 0.456 159 N N -0.766 117.865 118.700 -0.115 0.000 2.398 159 N HA 0.056 4.795 4.740 -0.001 0.000 0.188 159 N C 2.016 177.461 175.510 -0.109 0.000 1.122 159 N CA 1.018 53.967 53.050 -0.169 0.000 0.866 159 N CB -0.001 38.168 38.487 -0.530 0.000 0.970 159 N HN 0.593 nan 8.380 nan 0.000 0.462 160 R N 1.325 121.779 120.500 -0.077 0.000 2.083 160 R HA -0.123 4.216 4.340 -0.001 0.000 0.237 160 R C 2.082 178.369 176.300 -0.022 0.000 1.137 160 R CA 2.100 58.172 56.100 -0.047 0.000 0.951 160 R CB -1.906 28.371 30.300 -0.039 0.000 0.851 160 R HN 0.513 nan 8.270 nan 0.000 0.434 161 E N 0.507 120.697 120.200 -0.018 0.000 2.478 161 E HA -0.060 4.290 4.350 -0.001 0.000 0.198 161 E C 2.022 178.620 176.600 -0.003 0.000 1.046 161 E CA 1.167 57.557 56.400 -0.016 0.000 0.870 161 E CB -0.477 29.213 29.700 -0.017 0.000 0.818 161 E HN 0.630 nan 8.360 nan 0.000 0.527 162 K N 0.467 120.889 120.400 0.037 0.000 2.379 162 K HA 0.132 4.451 4.320 -0.001 0.000 0.194 162 K C 0.209 176.864 176.600 0.091 0.000 1.031 162 K CA -0.036 56.301 56.287 0.084 0.000 1.037 162 K CB 0.072 32.694 32.500 0.203 0.000 0.824 162 K HN 0.506 nan 8.250 nan 0.000 0.516 163 N N 0.846 119.591 118.700 0.075 0.000 2.430 163 N HA 0.245 4.985 4.740 -0.001 0.000 0.292 163 N C 0.689 176.174 175.510 -0.042 0.000 1.051 163 N CA -0.250 52.836 53.050 0.059 0.000 0.917 163 N CB 1.670 40.216 38.487 0.099 0.000 1.164 163 N HN 0.067 nan 8.380 nan 0.000 0.484 164 R N 1.716 122.155 120.500 -0.102 0.000 2.062 164 R HA 0.033 4.372 4.340 -0.001 0.000 0.226 164 R C -0.317 175.690 176.300 -0.488 0.000 1.125 164 R CA 1.170 57.075 56.100 -0.326 0.000 0.966 164 R CB 0.198 30.253 30.300 -0.410 0.000 0.861 164 R HN 0.518 nan 8.270 nan 0.000 0.433 165 Y N 0.164 120.464 120.300 -0.000 0.000 2.328 165 Y HA 0.333 4.883 4.550 -0.001 0.000 0.336 165 Y C -1.720 174.181 175.900 0.003 0.000 0.960 165 Y CA -2.809 55.289 58.100 -0.003 0.000 1.134 165 Y CB 1.996 40.453 38.460 -0.005 0.000 1.166 165 Y HN 0.092 nan 8.280 nan 0.000 0.464 166 P HA -0.029 nan 4.420 nan 0.000 0.241 166 P C 0.158 177.481 177.300 0.039 0.000 1.191 166 P CA 1.008 64.142 63.100 0.057 0.000 0.771 166 P CB 0.612 32.325 31.700 0.022 0.000 0.929 167 N N 0.010 118.743 118.700 0.054 0.000 2.392 167 N HA 0.099 4.838 4.740 -0.001 0.000 0.177 167 N C 0.653 176.183 175.510 0.033 0.000 1.066 167 N CA 0.368 53.419 53.050 0.001 0.000 0.895 167 N CB 0.530 39.008 38.487 -0.015 0.000 0.988 167 N HN 0.290 nan 8.380 nan 0.000 0.457 168 I N 2.193 122.814 120.570 0.083 0.000 2.361 168 I HA 0.289 4.459 4.170 -0.001 0.000 0.282 168 I C -0.740 175.449 176.117 0.119 0.000 1.075 168 I CA -0.137 61.216 61.300 0.089 0.000 1.205 168 I CB 0.504 38.547 38.000 0.071 0.000 1.406 168 I HN -0.278 nan 8.210 nan 0.000 0.481 169 L N 7.369 128.669 121.223 0.128 0.000 2.388 169 L HA 0.632 4.972 4.340 -0.001 0.000 0.264 169 L C -2.472 174.581 176.870 0.305 0.000 0.998 169 L CA -1.983 52.982 54.840 0.207 0.000 0.817 169 L CB 2.522 44.700 42.059 0.199 0.000 1.338 169 L HN 0.241 nan 8.230 nan 0.000 0.414 170 P HA 0.126 nan 4.420 nan 0.000 0.279 170 P C -1.254 176.204 177.300 0.263 0.000 1.239 170 P CA -0.475 62.760 63.100 0.226 0.000 0.789 170 P CB 0.646 32.414 31.700 0.113 0.000 0.933 171 N N 1.374 120.102 118.700 0.046 0.000 2.399 171 N HA -0.008 4.732 4.740 -0.001 0.000 0.250 171 N C 0.391 175.804 175.510 -0.162 0.000 1.272 171 N CA 0.082 52.879 53.050 -0.421 0.000 0.928 171 N CB -0.213 37.923 38.487 -0.583 0.000 1.158 171 N HN 0.197 nan 8.380 nan 0.000 0.463 172 D N -1.261 119.021 120.400 -0.198 0.000 2.178 172 D HA -0.140 4.500 4.640 -0.001 0.000 0.202 172 D C 1.346 177.647 176.300 0.002 0.000 0.974 172 D CA 1.298 55.270 54.000 -0.047 0.000 0.841 172 D CB -0.367 40.407 40.800 -0.044 0.000 0.953 172 D HN 0.793 nan 8.370 nan 0.000 0.478 173 H N 0.035 119.053 119.070 -0.087 0.000 2.363 173 H HA 0.098 4.654 4.556 -0.001 0.000 0.301 173 H C 1.187 176.522 175.328 0.012 0.000 1.074 173 H CA 1.603 57.627 56.048 -0.041 0.000 1.354 173 H CB 0.314 30.038 29.762 -0.063 0.000 1.397 173 H HN -0.108 nan 8.280 nan 0.000 0.516 174 S N 0.589 116.345 115.700 0.093 0.000 2.572 174 S HA 0.143 4.613 4.470 -0.001 0.000 0.228 174 S C 0.625 175.280 174.600 0.092 0.000 0.963 174 S CA -0.477 57.798 58.200 0.126 0.000 0.939 174 S CB 0.178 63.472 63.200 0.157 0.000 0.804 174 S HN 0.277 nan 8.310 nan 0.000 0.480 175 R N 2.220 122.736 120.500 0.026 0.000 2.585 175 R HA 0.096 4.436 4.340 -0.001 0.000 0.275 175 R C -0.597 175.643 176.300 -0.100 0.000 1.018 175 R CA 0.203 56.282 56.100 -0.035 0.000 1.072 175 R CB 0.288 30.597 30.300 0.016 0.000 0.953 175 R HN 0.048 nan 8.270 nan 0.000 0.419 176 V N 7.097 126.833 119.914 -0.297 0.000 2.521 176 V HA 0.078 4.197 4.120 -0.001 0.000 0.286 176 V C 0.594 176.589 176.094 -0.164 0.000 1.034 176 V CA 0.127 62.196 62.300 -0.384 0.000 1.045 176 V CB 0.687 32.199 31.823 -0.519 0.000 0.974 176 V HN 0.544 nan 8.190 nan 0.000 0.480 177 I N 4.808 125.351 120.570 -0.046 0.000 2.355 177 I HA 0.527 4.696 4.170 -0.001 0.000 0.288 177 I C -0.297 175.822 176.117 0.003 0.000 0.999 177 I CA -0.606 60.692 61.300 -0.004 0.000 1.163 177 I CB 1.081 39.102 38.000 0.035 0.000 1.316 177 I HN 0.313 nan 8.210 nan 0.000 0.454 178 L N 4.444 125.664 121.223 -0.005 0.000 2.453 178 L HA 0.416 4.755 4.340 -0.001 0.000 0.261 178 L C 1.330 178.223 176.870 0.037 0.000 1.179 178 L CA -0.054 54.794 54.840 0.014 0.000 0.813 178 L CB 0.875 42.940 42.059 0.010 0.000 1.110 178 L HN 0.885 nan 8.230 nan 0.000 0.466 179 S N 0.892 116.621 115.700 0.048 0.000 2.560 179 S HA 0.380 4.849 4.470 -0.001 0.000 0.284 179 S C 0.440 175.069 174.600 0.049 0.000 1.327 179 S CA -0.095 58.136 58.200 0.051 0.000 1.055 179 S CB 0.203 63.440 63.200 0.062 0.000 0.868 179 S HN 0.623 nan 8.310 nan 0.000 0.506 180 Q N 0.521 120.348 119.800 0.044 0.000 2.244 180 Q HA 0.545 4.885 4.340 -0.001 0.000 0.276 180 Q C 0.123 176.147 176.000 0.040 0.000 1.122 180 Q CA 0.298 56.126 55.803 0.041 0.000 0.920 180 Q CB -1.191 27.568 28.738 0.035 0.000 1.186 180 Q HN 2.008 nan 8.270 nan 0.000 0.393 184 I N 1.841 122.424 120.570 0.021 0.000 2.325 184 I HA 0.802 4.971 4.170 -0.001 0.000 0.291 184 I C -1.534 174.597 176.117 0.024 0.000 1.019 184 I CA -2.577 58.736 61.300 0.021 0.000 1.302 184 I CB 0.359 38.374 38.000 0.026 0.000 1.401 184 I HN 0.065 nan 8.210 nan 0.000 0.485 185 P HA 0.332 nan 4.420 nan 0.000 0.271 185 P C 0.699 178.012 177.300 0.022 0.000 1.218 185 P CA 1.049 64.160 63.100 0.018 0.000 0.780 185 P CB 0.639 32.345 31.700 0.011 0.000 0.901 186 C N 0.655 119.969 119.300 0.024 0.000 4.356 186 C HA -0.089 4.371 4.460 -0.001 0.000 0.296 186 C C 1.836 176.863 174.990 0.062 0.000 1.424 186 C CA 1.104 60.141 59.018 0.031 0.000 2.000 186 C CB -3.052 24.691 27.740 0.005 0.000 1.262 186 C HN 0.740 nan 8.230 nan 0.000 0.789 187 S N -0.810 114.926 115.700 0.060 0.000 2.603 187 S HA 0.398 4.868 4.470 -0.001 0.000 0.220 187 S C 1.483 176.132 174.600 0.082 0.000 0.967 187 S CA 1.839 60.080 58.200 0.069 0.000 0.920 187 S CB -0.599 62.632 63.200 0.052 0.000 0.773 187 S HN 1.879 nan 8.310 nan 0.000 0.529 188 D N -0.480 119.977 120.400 0.094 0.000 2.269 188 D HA 0.145 4.784 4.640 -0.001 0.000 0.208 188 D C 0.522 176.895 176.300 0.120 0.000 0.963 188 D CA 0.474 54.531 54.000 0.094 0.000 0.864 188 D CB -0.335 40.520 40.800 0.091 0.000 0.936 188 D HN 0.674 nan 8.370 nan 0.000 0.505 189 Y N -0.552 119.752 120.300 0.007 0.000 2.361 189 Y HA 0.598 5.147 4.550 -0.001 0.000 0.332 189 Y C -0.587 175.311 175.900 -0.003 0.000 1.101 189 Y CA -1.390 56.711 58.100 0.002 0.000 1.137 189 Y CB 1.324 39.788 38.460 0.007 0.000 1.207 189 Y HN 0.191 nan 8.280 nan 0.000 0.463 190 I N 5.128 125.211 120.570 -0.812 0.000 2.827 190 I HA 0.283 4.453 4.170 -0.001 0.000 0.298 190 I C -1.338 174.185 176.117 -0.989 0.000 1.235 190 I CA -0.931 59.938 61.300 -0.718 0.000 1.021 190 I CB 1.846 39.655 38.000 -0.318 0.000 1.259 190 I HN 0.679 nan 8.210 nan 0.000 0.427 191 N N 5.775 124.117 118.700 -0.596 0.000 2.739 191 N HA 0.513 5.253 4.740 -0.001 0.000 0.266 191 N C -1.191 174.203 175.510 -0.194 0.000 1.168 191 N CA 0.251 53.116 53.050 -0.308 0.000 1.055 191 N CB 0.135 38.584 38.487 -0.064 0.000 1.393 191 N HN 0.665 nan 8.380 nan 0.000 0.514 192 A N 1.133 123.817 122.820 -0.225 0.000 2.604 192 A HA 0.691 5.011 4.320 -0.001 0.000 0.295 192 A C -1.136 176.326 177.584 -0.203 0.000 1.067 192 A CA -0.657 51.273 52.037 -0.178 0.000 0.683 192 A CB 0.979 19.856 19.000 -0.205 0.000 1.281 192 A HN 0.382 nan 8.150 nan 0.000 0.407 193 S N -0.045 115.553 115.700 -0.171 0.000 2.546 193 S HA 0.700 5.169 4.470 -0.001 0.000 0.274 193 S C -1.254 173.255 174.600 -0.152 0.000 1.121 193 S CA -0.648 57.449 58.200 -0.171 0.000 0.887 193 S CB 0.720 63.895 63.200 -0.041 0.000 1.094 193 S HN 0.545 nan 8.310 nan 0.000 0.474 194 Y N 1.343 121.648 120.300 0.008 0.000 2.425 194 Y HA 0.444 4.994 4.550 -0.001 0.000 0.331 194 Y C 0.449 176.381 175.900 0.054 0.000 1.157 194 Y CA -0.289 57.830 58.100 0.031 0.000 1.372 194 Y CB 0.240 38.704 38.460 0.007 0.000 1.253 194 Y HN 0.452 nan 8.280 nan 0.000 0.536 195 I N 3.767 124.500 120.570 0.272 0.000 2.533 195 I HA 0.209 4.378 4.170 -0.001 0.000 0.290 195 I C -0.909 175.383 176.117 0.292 0.000 1.056 195 I CA -1.050 60.380 61.300 0.216 0.000 1.057 195 I CB 1.993 40.099 38.000 0.178 0.000 1.240 195 I HN 0.512 nan 8.210 nan 0.000 0.423 196 D N 3.883 124.408 120.400 0.208 0.000 2.329 196 D HA 0.430 5.069 4.640 -0.001 0.000 0.246 196 D C 0.373 176.928 176.300 0.425 0.000 1.111 196 D CA 0.067 54.206 54.000 0.232 0.000 0.941 196 D CB 1.617 42.498 40.800 0.135 0.000 1.169 196 D HN 0.692 nan 8.370 nan 0.000 0.441 197 G N -0.696 108.330 108.800 0.377 0.000 2.613 197 G HA2 0.293 4.253 3.960 -0.001 0.000 0.303 197 G HA3 0.293 4.253 3.960 -0.001 0.000 0.303 197 G C -1.084 174.031 174.900 0.358 0.000 1.312 197 G CA -0.648 44.726 45.100 0.458 0.000 1.036 197 G HN 0.417 nan 8.290 nan 0.000 0.513 198 Y N 0.706 121.068 120.300 0.103 0.000 2.650 198 Y HA 0.313 4.862 4.550 -0.001 0.000 0.331 198 Y C 1.209 177.139 175.900 0.051 0.000 1.165 198 Y CA 0.833 58.949 58.100 0.027 0.000 1.473 198 Y CB -0.169 38.227 38.460 -0.107 0.000 1.224 198 Y HN 1.099 nan 8.280 nan 0.000 0.533 199 K N 3.689 123.834 120.400 -0.424 0.000 3.177 199 K HA -0.280 4.040 4.320 -0.001 0.000 0.266 199 K C -0.244 176.296 176.600 -0.100 0.000 0.937 199 K CA 1.594 57.695 56.287 -0.310 0.000 0.702 199 K CB -2.120 30.112 32.500 -0.448 0.000 1.365 199 K HN 0.880 nan 8.250 nan 0.000 0.466 200 E N -1.227 118.956 120.200 -0.028 0.000 2.466 200 E HA 0.480 4.830 4.350 -0.001 0.000 0.308 200 E C -0.105 176.496 176.600 0.003 0.000 0.933 200 E CA 0.145 56.534 56.400 -0.018 0.000 0.800 200 E CB 0.871 30.558 29.700 -0.023 0.000 1.434 200 E HN 0.784 nan 8.360 nan 0.000 0.389 201 K N 2.871 123.260 120.400 -0.018 0.000 2.484 201 K HA 0.074 4.394 4.320 -0.001 0.000 0.280 201 K C 0.374 176.954 176.600 -0.032 0.000 1.013 201 K CA 0.571 56.847 56.287 -0.018 0.000 1.029 201 K CB -0.343 32.129 32.500 -0.046 0.000 0.902 201 K HN 0.734 nan 8.250 nan 0.000 0.481 202 N N 0.263 118.967 118.700 0.006 0.000 2.740 202 N HA -0.186 4.554 4.740 -0.001 0.000 0.248 202 N C 0.815 176.332 175.510 0.011 0.000 1.062 202 N CA 1.307 54.373 53.050 0.027 0.000 0.704 202 N CB -1.174 37.227 38.487 -0.144 0.000 0.968 202 N HN 0.881 nan 8.380 nan 0.000 0.547 203 K N -0.974 119.410 120.400 -0.028 0.000 2.097 203 K HA -0.014 4.306 4.320 -0.001 0.000 0.205 203 K C -0.055 176.272 176.600 -0.455 0.000 1.050 203 K CA 1.083 57.187 56.287 -0.304 0.000 0.938 203 K CB 0.150 32.368 32.500 -0.470 0.000 0.718 203 K HN 0.251 nan 8.250 nan 0.000 0.442 204 F N -0.210 119.810 119.950 0.117 0.000 2.598 204 F HA 0.457 4.983 4.527 -0.001 0.000 0.327 204 F C -0.211 175.652 175.800 0.104 0.000 1.057 204 F CA -1.141 56.926 58.000 0.110 0.000 0.957 204 F CB 1.337 40.415 39.000 0.130 0.000 1.278 204 F HN -0.292 nan 8.300 nan 0.000 0.484 205 I N 1.810 122.533 120.570 0.256 0.000 2.382 205 I HA 0.456 4.626 4.170 -0.001 0.000 0.285 205 I C -0.601 175.563 176.117 0.077 0.000 1.007 205 I CA -0.776 60.571 61.300 0.078 0.000 1.142 205 I CB 1.479 39.441 38.000 -0.062 0.000 1.289 205 I HN 0.675 nan 8.210 nan 0.000 0.453 206 A N 5.968 128.815 122.820 0.045 0.000 2.310 206 A HA 0.787 5.107 4.320 -0.001 0.000 0.300 206 A C -0.007 177.572 177.584 -0.008 0.000 1.269 206 A CA -0.200 51.849 52.037 0.020 0.000 0.909 206 A CB 0.233 19.237 19.000 0.006 0.000 1.144 206 A HN 0.760 nan 8.150 nan 0.000 0.540 207 A N 2.807 125.638 122.820 0.019 0.000 2.374 207 A HA 0.653 4.973 4.320 -0.001 0.000 0.317 207 A C -0.064 177.529 177.584 0.015 0.000 1.094 207 A CA -0.722 51.318 52.037 0.005 0.000 0.765 207 A CB 0.742 19.768 19.000 0.043 0.000 1.268 207 A HN 1.028 nan 8.150 nan 0.000 0.438 208 Q N 1.357 121.141 119.800 -0.027 0.000 2.373 208 Q HA 0.459 4.798 4.340 -0.001 0.000 0.255 208 Q C 0.410 176.316 176.000 -0.156 0.000 0.980 208 Q CA -0.013 55.771 55.803 -0.031 0.000 0.882 208 Q CB 0.764 29.499 28.738 -0.005 0.000 1.249 208 Q HN 0.885 nan 8.270 nan 0.000 0.438 209 G N 3.753 112.467 108.800 -0.143 0.000 2.313 209 G HA2 0.240 4.199 3.960 -0.001 0.000 0.250 209 G HA3 0.240 4.199 3.960 -0.001 0.000 0.250 209 G C -2.209 172.443 174.900 -0.414 0.000 1.281 209 G CA -0.925 43.947 45.100 -0.380 0.000 0.917 209 G HN 0.643 nan 8.290 nan 0.000 0.501 210 P HA 0.173 nan 4.420 nan 0.000 0.272 210 P C -0.331 176.820 177.300 -0.248 0.000 1.223 210 P CA -0.042 62.759 63.100 -0.498 0.000 0.784 210 P CB 1.110 32.334 31.700 -0.793 0.000 0.923 211 K N -0.647 119.639 120.400 -0.191 0.000 2.295 211 K HA 0.511 4.830 4.320 -0.001 0.000 0.239 211 K C 1.531 177.938 176.600 -0.322 0.000 0.991 211 K CA -0.853 55.326 56.287 -0.180 0.000 0.845 211 K CB -0.055 32.355 32.500 -0.152 0.000 1.197 211 K HN 0.225 nan 8.250 nan 0.000 0.441 212 Q N 1.398 120.821 119.800 -0.629 0.000 2.124 212 Q HA -0.291 4.049 4.340 -0.001 0.000 0.215 212 Q C 1.655 177.495 176.000 -0.266 0.000 1.015 212 Q CA 2.961 58.337 55.803 -0.711 0.000 0.890 212 Q CB -1.356 27.073 28.738 -0.513 0.000 0.966 212 Q HN 0.815 nan 8.270 nan 0.000 0.412 213 E N -0.015 120.081 120.200 -0.172 0.000 2.418 213 E HA 0.010 4.360 4.350 -0.001 0.000 0.197 213 E C 1.736 178.314 176.600 -0.035 0.000 1.026 213 E CA 1.358 57.713 56.400 -0.075 0.000 0.862 213 E CB 0.219 29.884 29.700 -0.059 0.000 0.799 213 E HN 0.871 nan 8.360 nan 0.000 0.518 214 T N -3.748 110.770 114.554 -0.059 0.000 3.145 214 T HA 0.207 4.556 4.350 -0.001 0.000 0.281 214 T C 1.477 176.175 174.700 -0.004 0.000 1.003 214 T CA -0.259 61.828 62.100 -0.023 0.000 0.901 214 T CB 0.013 68.853 68.868 -0.047 0.000 1.112 214 T HN -0.074 nan 8.240 nan 0.000 0.535 215 V N 2.677 122.597 119.914 0.009 0.000 2.343 215 V HA -0.174 3.946 4.120 -0.001 0.000 0.247 215 V C 2.601 178.834 176.094 0.232 0.000 1.051 215 V CA 2.010 64.354 62.300 0.074 0.000 1.036 215 V CB -0.663 31.270 31.823 0.183 0.000 0.654 215 V HN 0.642 nan 8.190 nan 0.000 0.451 216 N N 0.299 119.159 118.700 0.267 0.000 2.142 216 N HA -0.168 4.572 4.740 -0.001 0.000 0.186 216 N C 1.717 177.370 175.510 0.238 0.000 1.023 216 N CA 1.538 54.782 53.050 0.324 0.000 0.852 216 N CB -0.337 38.303 38.487 0.255 0.000 0.998 216 N HN 0.705 nan 8.380 nan 0.000 0.424 217 D N 1.176 121.664 120.400 0.146 0.000 2.178 217 D HA -0.166 4.474 4.640 -0.001 0.000 0.201 217 D C 1.621 177.955 176.300 0.057 0.000 0.980 217 D CA 0.729 54.781 54.000 0.088 0.000 0.842 217 D CB -0.757 40.072 40.800 0.049 0.000 0.948 217 D HN 0.187 nan 8.370 nan 0.000 0.472 218 F N -0.657 119.217 119.950 -0.126 0.000 2.102 218 F HA 0.011 4.537 4.527 -0.001 0.000 0.298 218 F C 2.021 177.669 175.800 -0.253 0.000 1.105 218 F CA 1.481 59.301 58.000 -0.300 0.000 1.239 218 F CB -0.411 38.263 39.000 -0.544 0.000 0.991 218 F HN 0.303 nan 8.300 nan 0.000 0.474 219 W N 0.302 121.578 121.300 -0.040 0.000 2.436 219 W HA -0.013 4.647 4.660 -0.001 0.000 0.284 219 W C 2.700 179.213 176.519 -0.010 0.000 1.225 219 W CA 0.813 58.120 57.345 -0.064 0.000 1.271 219 W CB -0.330 29.153 29.460 0.038 0.000 1.114 219 W HN -0.168 nan 8.180 nan 0.000 0.559 220 R N 0.417 121.055 120.500 0.229 0.000 2.115 220 R HA -0.167 4.173 4.340 -0.001 0.000 0.230 220 R C 2.110 178.486 176.300 0.126 0.000 1.111 220 R CA 1.404 57.620 56.100 0.193 0.000 0.976 220 R CB -0.478 29.903 30.300 0.135 0.000 0.870 220 R HN 0.263 nan 8.270 nan 0.000 0.445 221 M N 0.192 119.773 119.600 -0.033 0.000 2.077 221 M HA -0.158 4.322 4.480 -0.001 0.000 0.261 221 M C 1.913 178.144 176.300 -0.116 0.000 1.070 221 M CA 1.627 56.852 55.300 -0.124 0.000 1.125 221 M CB -0.006 32.428 32.600 -0.276 0.000 1.339 221 M HN -0.003 nan 8.290 nan 0.000 0.409 222 V N 0.098 119.889 119.914 -0.205 0.000 2.380 222 V HA -0.335 3.784 4.120 -0.001 0.000 0.251 222 V C 2.118 178.274 176.094 0.104 0.000 1.063 222 V CA 2.235 64.472 62.300 -0.105 0.000 1.055 222 V CB -1.077 30.680 31.823 -0.112 0.000 0.657 222 V HN 0.748 nan 8.190 nan 0.000 0.455 223 W N 0.953 122.280 121.300 0.044 0.000 2.408 223 W HA -0.108 4.551 4.660 -0.001 0.000 0.311 223 W C 2.356 178.898 176.519 0.038 0.000 1.190 223 W CA 1.682 59.070 57.345 0.071 0.000 1.321 223 W CB -0.079 29.436 29.460 0.092 0.000 1.143 223 W HN 0.314 nan 8.180 nan 0.000 0.501 224 E N -0.182 120.100 120.200 0.136 0.000 2.153 224 E HA -0.233 4.116 4.350 -0.001 0.000 0.194 224 E C 1.967 178.536 176.600 -0.052 0.000 0.988 224 E CA 0.917 57.338 56.400 0.035 0.000 0.811 224 E CB -0.128 29.631 29.700 0.099 0.000 0.746 224 E HN 0.212 nan 8.360 nan 0.000 0.466 225 Q N 0.149 119.920 119.800 -0.048 0.000 2.403 225 Q HA 0.025 4.365 4.340 -0.001 0.000 0.203 225 Q C 0.029 175.983 176.000 -0.077 0.000 0.932 225 Q CA 0.300 56.081 55.803 -0.036 0.000 0.945 225 Q CB 0.402 29.131 28.738 -0.015 0.000 1.045 225 Q HN 0.215 nan 8.270 nan 0.000 0.511 226 K N -0.009 120.298 120.400 -0.156 0.000 3.230 226 K HA -0.101 4.219 4.320 -0.001 0.000 0.285 226 K C -0.472 176.069 176.600 -0.098 0.000 1.196 226 K CA 0.337 56.515 56.287 -0.182 0.000 0.838 226 K CB -2.027 30.385 32.500 -0.148 0.000 1.262 226 K HN 0.029 nan 8.250 nan 0.000 0.492 227 S N -0.129 115.531 115.700 -0.066 0.000 2.564 227 S HA 0.340 4.810 4.470 -0.001 0.000 0.278 227 S C 1.283 175.886 174.600 0.004 0.000 1.333 227 S CA 0.068 58.248 58.200 -0.034 0.000 1.048 227 S CB 1.537 64.717 63.200 -0.033 0.000 0.900 227 S HN 0.444 nan 8.310 nan 0.000 0.505 228 A N 2.654 125.470 122.820 -0.006 0.000 2.229 228 A HA 0.348 4.667 4.320 -0.001 0.000 0.211 228 A C 0.640 178.259 177.584 0.058 0.000 1.193 228 A CA 0.166 52.218 52.037 0.024 0.000 0.879 228 A CB 0.342 19.315 19.000 -0.045 0.000 0.911 228 A HN 0.632 nan 8.150 nan 0.000 0.492 229 T N 0.496 115.077 114.554 0.045 0.000 2.921 229 T HA 0.595 4.944 4.350 -0.001 0.000 0.297 229 T C -0.856 173.892 174.700 0.080 0.000 1.013 229 T CA -0.114 62.021 62.100 0.059 0.000 0.990 229 T CB 1.442 70.321 68.868 0.019 0.000 1.023 229 T HN 0.174 nan 8.240 nan 0.000 0.447 230 I N 2.609 123.252 120.570 0.121 0.000 2.406 230 I HA 0.498 4.668 4.170 -0.001 0.000 0.290 230 I C -0.557 175.614 176.117 0.091 0.000 0.999 230 I CA -1.155 60.234 61.300 0.148 0.000 1.124 230 I CB 1.961 40.126 38.000 0.274 0.000 1.289 230 I HN 0.260 nan 8.210 nan 0.000 0.441 231 V N 7.075 126.995 119.914 0.010 0.000 2.313 231 V HA 0.326 4.446 4.120 -0.001 0.000 0.278 231 V C -0.019 175.918 176.094 -0.261 0.000 1.017 231 V CA -0.449 61.790 62.300 -0.100 0.000 0.823 231 V CB 1.410 33.056 31.823 -0.295 0.000 1.010 231 V HN 0.709 nan 8.190 nan 0.000 0.443 232 M N 5.988 125.443 119.600 -0.243 0.000 2.061 232 M HA 0.459 4.939 4.480 -0.001 0.000 0.346 232 M C -0.269 175.844 176.300 -0.312 0.000 1.112 232 M CA -0.266 54.685 55.300 -0.581 0.000 1.021 232 M CB 0.720 32.997 32.600 -0.538 0.000 1.530 232 M HN 0.566 nan 8.290 nan 0.000 0.437 233 L N 3.714 124.711 121.223 -0.376 0.000 2.741 233 L HA 0.262 4.602 4.340 -0.001 0.000 0.237 233 L C 0.534 177.289 176.870 -0.191 0.000 1.178 233 L CA -0.026 54.663 54.840 -0.251 0.000 0.973 233 L CB 0.218 42.031 42.059 -0.409 0.000 1.255 233 L HN 0.695 nan 8.230 nan 0.000 0.498 234 T N -1.158 113.323 114.554 -0.122 0.000 2.916 234 T HA 0.406 4.756 4.350 -0.001 0.000 0.292 234 T C -0.312 174.485 174.700 0.161 0.000 1.055 234 T CA -0.620 61.467 62.100 -0.022 0.000 1.009 234 T CB 1.645 70.495 68.868 -0.030 0.000 1.118 234 T HN -0.033 nan 8.240 nan 0.000 0.497 235 N N 1.956 120.769 118.700 0.188 0.000 2.458 235 N HA 0.394 5.134 4.740 -0.001 0.000 0.271 235 N C 1.388 177.003 175.510 0.175 0.000 1.210 235 N CA -0.502 52.703 53.050 0.258 0.000 0.978 235 N CB 1.185 39.776 38.487 0.173 0.000 1.206 235 N HN 0.522 nan 8.380 nan 0.000 0.536 236 L N 0.713 122.040 121.223 0.174 0.000 1.988 236 L HA -0.102 4.237 4.340 -0.001 0.000 0.207 236 L C 1.337 178.241 176.870 0.058 0.000 1.071 236 L CA 1.413 56.310 54.840 0.096 0.000 0.744 236 L CB -0.438 41.645 42.059 0.040 0.000 0.893 236 L HN 0.535 nan 8.230 nan 0.000 0.433 237 K N 0.743 121.174 120.400 0.050 0.000 2.207 237 K HA 0.703 5.023 4.320 -0.001 0.000 0.255 237 K C -0.450 176.180 176.600 0.051 0.000 0.941 237 K CA -0.004 56.307 56.287 0.039 0.000 0.825 237 K CB 0.908 33.421 32.500 0.021 0.000 1.119 237 K HN 0.221 nan 8.250 nan 0.000 0.430 238 E N -0.104 120.125 120.200 0.048 0.000 2.199 238 E HA 0.623 4.973 4.350 -0.001 0.000 0.265 238 E C 0.545 177.171 176.600 0.043 0.000 0.882 238 E CA -0.222 56.209 56.400 0.051 0.000 0.759 238 E CB 0.848 30.580 29.700 0.054 0.000 1.148 238 E HN 2.224 nan 8.360 nan 0.000 0.412 239 R N 0.409 120.934 120.500 0.042 0.000 3.405 239 R HA 0.108 4.448 4.340 -0.001 0.000 0.258 239 R C 1.390 177.708 176.300 0.030 0.000 1.030 239 R CA 2.219 58.341 56.100 0.036 0.000 0.691 239 R CB -3.112 27.211 30.300 0.037 0.000 1.093 239 R HN 2.646 nan 8.270 nan 0.000 0.448 240 K N -4.058 116.358 120.400 0.026 0.000 3.125 240 K HA 0.308 4.628 4.320 -0.001 0.000 0.268 240 K C 0.174 176.787 176.600 0.020 0.000 1.078 240 K CA 2.505 58.804 56.287 0.020 0.000 0.775 240 K CB -2.796 29.714 32.500 0.017 0.000 1.253 240 K HN 2.805 nan 8.250 nan 0.000 0.486 241 E N -1.028 119.187 120.200 0.026 0.000 2.294 241 E HA 0.672 5.022 4.350 -0.001 0.000 0.272 241 E C -0.260 176.358 176.600 0.030 0.000 0.896 241 E CA 0.353 56.769 56.400 0.027 0.000 0.802 241 E CB 0.491 30.212 29.700 0.034 0.000 1.267 241 E HN 1.901 nan 8.360 nan 0.000 0.406 242 E N 2.512 122.724 120.200 0.020 0.000 2.161 242 E HA 0.145 4.495 4.350 -0.001 0.000 0.263 242 E C 0.632 177.248 176.600 0.027 0.000 1.185 242 E CA -0.200 56.211 56.400 0.018 0.000 0.938 242 E CB -0.065 29.641 29.700 0.011 0.000 1.023 242 E HN 0.406 nan 8.360 nan 0.000 0.433 243 K N 0.138 120.565 120.400 0.045 0.000 2.361 243 K HA 0.140 4.459 4.320 -0.001 0.000 0.196 243 K C 0.256 176.891 176.600 0.058 0.000 1.039 243 K CA 0.443 56.771 56.287 0.067 0.000 1.001 243 K CB 0.000 32.543 32.500 0.071 0.000 0.795 243 K HN 0.652 nan 8.250 nan 0.000 0.495 244 C N 0.536 119.865 119.300 0.047 0.000 3.199 244 C HA 0.221 4.681 4.460 -0.001 0.000 0.392 244 C C -0.992 174.023 174.990 0.042 0.000 1.050 244 C CA -0.999 58.045 59.018 0.044 0.000 1.222 244 C CB 0.773 28.568 27.740 0.092 0.000 1.595 244 C HN 0.499 nan 8.230 nan 0.000 0.560 245 H N 3.623 122.651 119.070 -0.070 0.000 2.548 245 H HA 0.258 4.814 4.556 -0.001 0.000 0.331 245 H C -0.071 175.193 175.328 -0.106 0.000 1.093 245 H CA 0.453 56.444 56.048 -0.094 0.000 1.367 245 H CB 1.313 31.014 29.762 -0.102 0.000 1.455 245 H HN 0.881 nan 8.280 nan 0.000 0.519 246 Q N 4.483 123.851 119.800 -0.720 0.000 2.271 246 Q HA -0.050 4.290 4.340 -0.001 0.000 0.273 246 Q C -0.650 175.004 176.000 -0.576 0.000 1.051 246 Q CA -0.139 55.140 55.803 -0.874 0.000 0.901 246 Q CB 0.177 28.267 28.738 -1.078 0.000 1.174 246 Q HN 0.731 nan 8.270 nan 0.000 0.385 247 Y N 2.487 122.557 120.300 -0.384 0.000 2.681 247 Y HA 0.388 4.937 4.550 -0.001 0.000 0.267 247 Y C -1.321 174.658 175.900 0.132 0.000 1.166 247 Y CA -1.299 56.746 58.100 -0.092 0.000 1.209 247 Y CB -0.283 38.051 38.460 -0.210 0.000 1.161 247 Y HN 0.479 nan 8.280 nan 0.000 0.534 248 W N -0.130 121.089 121.300 -0.134 0.000 3.127 248 W HA 0.815 5.475 4.660 -0.001 0.000 0.330 248 W C -3.259 173.305 176.519 0.076 0.000 1.187 248 W CA -3.102 54.208 57.345 -0.059 0.000 1.198 248 W CB 0.644 29.950 29.460 -0.258 0.000 1.408 248 W HN -0.257 nan 8.180 nan 0.000 0.529 249 P HA 0.174 nan 4.420 nan 0.000 0.271 249 P C 0.453 177.923 177.300 0.283 0.000 1.216 249 P CA 0.892 64.108 63.100 0.195 0.000 0.776 249 P CB 0.942 32.812 31.700 0.284 0.000 0.881 250 D N 1.482 121.952 120.400 0.116 0.000 2.085 250 D HA 0.043 4.683 4.640 -0.001 0.000 0.199 250 D C 1.193 177.610 176.300 0.195 0.000 0.981 250 D CA 1.778 55.878 54.000 0.167 0.000 0.834 250 D CB -0.584 40.245 40.800 0.049 0.000 0.992 250 D HN 0.699 nan 8.370 nan 0.000 0.457 251 Q N -1.580 118.305 119.800 0.143 0.000 2.306 251 Q HA 0.657 4.996 4.340 -0.001 0.000 0.265 251 Q C 1.247 177.342 176.000 0.158 0.000 1.022 251 Q CA 0.217 56.102 55.803 0.137 0.000 0.853 251 Q CB 1.016 29.811 28.738 0.096 0.000 1.327 251 Q HN 1.877 nan 8.270 nan 0.000 0.449 252 G N -0.636 108.253 108.800 0.149 0.000 2.556 252 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.283 252 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.283 252 G C 0.557 175.560 174.900 0.173 0.000 1.177 252 G CA 0.337 45.520 45.100 0.139 0.000 0.978 252 G HN 1.728 nan 8.290 nan 0.000 0.554 253 c N -1.057 117.639 118.600 0.160 0.000 3.044 253 c HA 0.926 5.495 4.570 -0.001 0.000 0.315 253 c C -0.598 173.626 174.090 0.224 0.000 1.320 253 c CA -0.381 56.040 56.329 0.154 0.000 1.582 253 c CB 1.921 44.466 42.510 0.058 0.000 2.039 253 c HN 0.836 nan 8.230 nan 0.000 0.466 254 W N 0.394 121.631 121.300 -0.105 0.000 3.800 254 W HA 0.480 5.140 4.660 -0.000 0.000 0.299 254 W C -0.682 175.639 176.519 -0.331 0.000 1.231 254 W CA -0.286 56.902 57.345 -0.262 0.000 1.232 254 W CB 1.303 30.515 29.460 -0.413 0.000 1.291 254 W HN 0.968 nan 8.180 nan 0.000 0.514 255 T N 3.950 118.129 114.554 -0.625 0.000 2.739 255 T HA 0.399 4.749 4.350 -0.001 0.000 0.298 255 T C -1.073 173.472 174.700 -0.258 0.000 0.929 255 T CA 0.217 62.099 62.100 -0.363 0.000 1.014 255 T CB -0.181 68.478 68.868 -0.349 0.000 0.914 255 T HN 0.253 nan 8.240 nan 0.000 0.509 256 Y N 3.789 124.120 120.300 0.052 0.000 2.751 256 Y HA 0.447 4.997 4.550 -0.001 0.000 0.333 256 Y C 1.523 177.472 175.900 0.082 0.000 1.122 256 Y CA 0.346 58.548 58.100 0.169 0.000 1.367 256 Y CB 0.410 38.998 38.460 0.214 0.000 1.242 256 Y HN 1.188 nan 8.280 nan 0.000 0.505 257 G N 1.676 110.565 108.800 0.149 0.000 2.536 257 G HA2 -0.444 3.516 3.960 -0.001 0.000 0.277 257 G HA3 -0.444 3.516 3.960 -0.001 0.000 0.277 257 G C 0.893 175.793 174.900 0.001 0.000 1.155 257 G CA 0.294 45.443 45.100 0.081 0.000 0.960 257 G HN 0.774 nan 8.290 nan 0.000 0.544 258 N N -0.162 118.529 118.700 -0.016 0.000 2.276 258 N HA 0.567 5.306 4.740 -0.001 0.000 0.212 258 N C 0.370 175.784 175.510 -0.161 0.000 1.127 258 N CA 1.018 54.017 53.050 -0.084 0.000 0.834 258 N CB 0.152 38.591 38.487 -0.080 0.000 1.014 258 N HN 0.672 nan 8.380 nan 0.000 0.491 259 I N 1.250 121.745 120.570 -0.124 0.000 2.410 259 I HA 0.435 4.604 4.170 -0.001 0.000 0.286 259 I C 0.388 176.399 176.117 -0.175 0.000 1.009 259 I CA -1.158 60.014 61.300 -0.214 0.000 1.111 259 I CB 0.814 38.719 38.000 -0.159 0.000 1.262 259 I HN 0.391 nan 8.210 nan 0.000 0.443 260 R N 5.664 126.039 120.500 -0.207 0.000 2.202 260 R HA 0.667 5.006 4.340 -0.001 0.000 0.334 260 R C -0.810 175.392 176.300 -0.164 0.000 1.036 260 R CA -0.431 55.575 56.100 -0.157 0.000 0.878 260 R CB 0.508 30.724 30.300 -0.140 0.000 1.067 260 R HN 0.446 nan 8.270 nan 0.000 0.457 261 V N 1.580 121.403 119.914 -0.152 0.000 2.539 261 V HA 0.575 4.694 4.120 -0.001 0.000 0.292 261 V C 0.016 176.127 176.094 0.027 0.000 1.045 261 V CA -0.858 61.321 62.300 -0.203 0.000 0.945 261 V CB 1.653 33.166 31.823 -0.518 0.000 0.993 261 V HN 1.013 nan 8.190 nan 0.000 0.464 262 c N 3.421 122.096 118.600 0.125 0.000 2.535 262 c HA 0.513 5.083 4.570 -0.001 0.000 0.319 262 c C -0.059 174.256 174.090 0.375 0.000 1.171 262 c CA -0.892 55.567 56.329 0.217 0.000 1.394 262 c CB 1.575 44.169 42.510 0.141 0.000 1.990 262 c HN 0.636 nan 8.230 nan 0.000 0.466 263 V N 4.066 124.211 119.914 0.385 0.000 2.470 263 V HA 0.156 4.276 4.120 -0.001 0.000 0.276 263 V C 0.823 177.024 176.094 0.177 0.000 1.040 263 V CA 0.616 63.133 62.300 0.361 0.000 1.008 263 V CB 0.784 32.809 31.823 0.336 0.000 0.990 263 V HN 0.911 nan 8.190 nan 0.000 0.477 264 E N 2.507 122.765 120.200 0.097 0.000 2.330 264 E HA 0.216 4.565 4.350 -0.001 0.000 0.200 264 E C 0.666 177.274 176.600 0.013 0.000 0.922 264 E CA 1.044 57.478 56.400 0.057 0.000 0.935 264 E CB 0.607 30.342 29.700 0.057 0.000 0.917 264 E HN 0.916 nan 8.360 nan 0.000 0.491 265 D N -0.892 119.483 120.400 -0.041 0.000 2.717 265 D HA 0.602 5.242 4.640 -0.001 0.000 0.223 265 D C -0.865 175.376 176.300 -0.098 0.000 1.240 265 D CA -0.057 53.914 54.000 -0.048 0.000 0.801 265 D CB 0.908 41.685 40.800 -0.038 0.000 1.556 265 D HN 0.278 nan 8.370 nan 0.000 0.462 266 C N 1.286 120.550 119.300 -0.060 0.000 2.397 266 C HA 0.843 5.303 4.460 -0.001 0.000 0.325 266 C C -0.158 174.798 174.990 -0.056 0.000 1.201 266 C CA -0.618 58.357 59.018 -0.072 0.000 1.377 266 C CB 0.504 28.224 27.740 -0.032 0.000 2.038 266 C HN 0.739 nan 8.230 nan 0.000 0.457 267 V N 5.321 125.197 119.914 -0.063 0.000 2.378 267 V HA 0.529 4.649 4.120 -0.001 0.000 0.288 267 V C -0.033 175.991 176.094 -0.117 0.000 1.016 267 V CA -0.552 61.704 62.300 -0.073 0.000 0.840 267 V CB 1.320 33.113 31.823 -0.050 0.000 0.994 267 V HN 0.676 nan 8.190 nan 0.000 0.431 268 V N 7.283 127.106 119.914 -0.152 0.000 2.304 268 V HA 0.409 4.529 4.120 -0.001 0.000 0.269 268 V C 0.135 176.040 176.094 -0.316 0.000 1.036 268 V CA -0.075 62.102 62.300 -0.205 0.000 0.840 268 V CB 0.952 32.679 31.823 -0.160 0.000 1.036 268 V HN 0.635 nan 8.190 nan 0.000 0.466 269 L N 4.079 125.032 121.223 -0.449 0.000 2.416 269 L HA 0.466 4.806 4.340 -0.001 0.000 0.263 269 L C 1.471 178.038 176.870 -0.504 0.000 1.065 269 L CA -0.375 54.090 54.840 -0.624 0.000 0.798 269 L CB 1.261 42.774 42.059 -0.910 0.000 1.267 269 L HN 0.368 nan 8.230 nan 0.000 0.467 270 V N 0.622 120.262 119.914 -0.457 0.000 2.358 270 V HA -0.227 3.893 4.120 -0.001 0.000 0.246 270 V C 1.877 177.810 176.094 -0.269 0.000 1.047 270 V CA 2.777 64.903 62.300 -0.290 0.000 1.035 270 V CB -0.244 31.466 31.823 -0.189 0.000 0.658 270 V HN 0.993 nan 8.190 nan 0.000 0.452 271 D N -2.070 118.160 120.400 -0.284 0.000 2.346 271 D HA 0.243 4.883 4.640 -0.001 0.000 0.206 271 D C 0.546 176.639 176.300 -0.345 0.000 1.001 271 D CA 0.807 54.661 54.000 -0.243 0.000 0.871 271 D CB 0.037 40.846 40.800 0.016 0.000 0.943 271 D HN 0.835 nan 8.370 nan 0.000 0.518 272 Y N -2.977 117.171 120.300 -0.252 0.000 2.624 272 Y HA 0.550 5.099 4.550 -0.001 0.000 0.334 272 Y C -0.474 175.371 175.900 -0.091 0.000 1.155 272 Y CA -0.947 57.052 58.100 -0.168 0.000 1.046 272 Y CB 1.020 39.567 38.460 0.146 0.000 1.316 272 Y HN -0.009 nan 8.280 nan 0.000 0.457 273 T N 0.534 115.124 114.554 0.061 0.000 2.924 273 T HA 0.782 5.131 4.350 -0.001 0.000 0.291 273 T C -1.463 173.335 174.700 0.164 0.000 1.045 273 T CA -0.710 61.388 62.100 -0.002 0.000 1.015 273 T CB 1.771 70.570 68.868 -0.114 0.000 1.103 273 T HN 0.910 nan 8.240 nan 0.000 0.496 274 I N 1.544 122.159 120.570 0.074 0.000 2.478 274 I HA 0.515 4.684 4.170 -0.001 0.000 0.287 274 I C -0.539 175.533 176.117 -0.075 0.000 1.042 274 I CA -0.880 60.464 61.300 0.072 0.000 1.067 274 I CB 1.539 39.619 38.000 0.134 0.000 1.233 274 I HN 0.664 nan 8.210 nan 0.000 0.431 275 R N 5.042 125.429 120.500 -0.187 0.000 2.534 275 R HA 0.481 4.820 4.340 -0.001 0.000 0.301 275 R C -1.194 174.761 176.300 -0.575 0.000 0.961 275 R CA -1.028 54.811 56.100 -0.434 0.000 0.871 275 R CB 2.287 32.189 30.300 -0.664 0.000 1.170 275 R HN 0.278 nan 8.270 nan 0.000 0.446 276 K N 2.998 123.085 120.400 -0.521 0.000 2.339 276 K HA 0.369 4.689 4.320 -0.001 0.000 0.264 276 K C -1.375 175.012 176.600 -0.355 0.000 0.986 276 K CA -0.068 56.023 56.287 -0.327 0.000 0.866 276 K CB 0.632 33.059 32.500 -0.122 0.000 1.103 276 K HN 0.297 nan 8.250 nan 0.000 0.441 277 F N 1.526 121.553 119.950 0.128 0.000 2.470 277 F HA 0.463 4.989 4.527 -0.000 0.000 0.329 277 F C 0.009 175.889 175.800 0.134 0.000 1.072 277 F CA -1.104 56.986 58.000 0.150 0.000 0.989 277 F CB 1.583 40.721 39.000 0.229 0.000 1.193 277 F HN 0.321 nan 8.300 nan 0.000 0.481 278 C N 5.970 125.472 119.300 0.337 0.000 2.362 278 C HA 0.631 5.091 4.460 -0.001 0.000 0.309 278 C C -0.167 174.921 174.990 0.162 0.000 1.110 278 C CA -0.788 58.361 59.018 0.219 0.000 1.485 278 C CB -1.560 26.276 27.740 0.159 0.000 1.949 278 C HN 0.662 nan 8.230 nan 0.000 0.419 279 I N 3.852 124.532 120.570 0.184 0.000 2.498 279 I HA 0.743 4.913 4.170 -0.001 0.000 0.301 279 I C -0.806 175.372 176.117 0.102 0.000 0.984 279 I CA -0.112 61.237 61.300 0.082 0.000 1.204 279 I CB 1.629 39.699 38.000 0.115 0.000 1.362 279 I HN 0.774 nan 8.210 nan 0.000 0.471 280 Q N 6.093 125.802 119.800 -0.151 0.000 2.503 280 Q HA 0.499 4.839 4.340 -0.001 0.000 0.268 280 Q C -2.992 172.733 176.000 -0.459 0.000 0.982 280 Q CA -1.286 54.335 55.803 -0.302 0.000 0.907 280 Q CB 3.083 31.773 28.738 -0.080 0.000 1.467 280 Q HN 0.529 nan 8.270 nan 0.000 0.394 289 A N 3.718 126.643 122.820 0.174 0.000 2.545 289 A HA 0.508 4.828 4.320 -0.001 0.000 0.253 289 A C -1.803 175.929 177.584 0.246 0.000 1.074 289 A CA -0.254 51.877 52.037 0.157 0.000 0.760 289 A CB -0.606 18.458 19.000 0.106 0.000 1.005 289 A HN 0.447 nan 8.150 nan 0.000 0.506 290 P HA 0.296 nan 4.420 nan 0.000 0.272 290 P C -0.410 177.031 177.300 0.234 0.000 1.230 290 P CA -0.210 63.024 63.100 0.224 0.000 0.788 290 P CB 0.742 32.521 31.700 0.132 0.000 0.949 291 R N 1.028 121.702 120.500 0.290 0.000 2.725 291 R HA 0.563 4.903 4.340 -0.001 0.000 0.277 291 R C -1.028 175.408 176.300 0.228 0.000 0.987 291 R CA -0.939 55.303 56.100 0.237 0.000 0.901 291 R CB 1.347 31.788 30.300 0.236 0.000 1.207 291 R HN 0.422 nan 8.270 nan 0.000 0.463 292 L N 3.866 125.198 121.223 0.181 0.000 2.265 292 L HA 0.437 4.777 4.340 -0.001 0.000 0.289 292 L C -0.804 176.183 176.870 0.196 0.000 1.033 292 L CA -0.774 54.173 54.840 0.179 0.000 0.814 292 L CB 1.805 43.940 42.059 0.128 0.000 1.203 292 L HN 0.321 nan 8.230 nan 0.000 0.423 293 V N 2.520 122.599 119.914 0.274 0.000 2.417 293 V HA 0.373 4.493 4.120 -0.001 0.000 0.291 293 V C -0.039 176.215 176.094 0.268 0.000 1.024 293 V CA -0.551 61.931 62.300 0.303 0.000 0.861 293 V CB 1.941 34.043 31.823 0.465 0.000 0.985 293 V HN 0.822 nan 8.190 nan 0.000 0.436 294 S N 4.567 120.362 115.700 0.158 0.000 2.433 294 S HA 0.529 4.998 4.470 -0.001 0.000 0.310 294 S C -0.568 174.088 174.600 0.092 0.000 1.097 294 S CA -0.706 57.533 58.200 0.065 0.000 1.103 294 S CB 1.473 64.685 63.200 0.021 0.000 0.992 294 S HN 0.742 nan 8.310 nan 0.000 0.469 295 Q N 2.782 122.613 119.800 0.051 0.000 2.278 295 Q HA 0.467 4.806 4.340 -0.001 0.000 0.257 295 Q C -1.648 174.379 176.000 0.045 0.000 0.928 295 Q CA -0.671 55.188 55.803 0.093 0.000 0.932 295 Q CB 0.746 29.562 28.738 0.131 0.000 1.221 295 Q HN 0.749 nan 8.270 nan 0.000 0.434 296 L N 4.322 125.602 121.223 0.095 0.000 2.294 296 L HA 0.354 4.694 4.340 -0.001 0.000 0.283 296 L C -0.478 176.621 176.870 0.381 0.000 1.015 296 L CA -0.296 54.663 54.840 0.198 0.000 0.831 296 L CB 1.287 43.343 42.059 -0.005 0.000 1.217 296 L HN 0.622 nan 8.230 nan 0.000 0.420 297 H N 3.886 123.117 119.070 0.268 0.000 2.638 297 H HA 0.269 4.825 4.556 -0.001 0.000 0.303 297 H C -1.060 174.375 175.328 0.179 0.000 1.034 297 H CA -0.930 55.212 56.048 0.157 0.000 1.225 297 H CB 0.782 30.550 29.762 0.010 0.000 1.394 297 H HN 0.501 nan 8.280 nan 0.000 0.477 298 F N 5.176 125.199 119.950 0.122 0.000 2.462 298 F HA 0.080 4.607 4.527 -0.001 0.000 0.360 298 F C 0.760 176.570 175.800 0.017 0.000 1.134 298 F CA 0.164 58.030 58.000 -0.223 0.000 1.148 298 F CB 0.943 39.511 39.000 -0.721 0.000 1.147 298 F HN 0.549 nan 8.300 nan 0.000 0.550 299 T N 2.813 117.139 114.554 -0.380 0.000 3.035 299 T HA -0.022 4.328 4.350 -0.001 0.000 0.259 299 T C 2.294 176.849 174.700 -0.243 0.000 1.078 299 T CA 1.176 63.106 62.100 -0.282 0.000 1.132 299 T CB -0.038 68.633 68.868 -0.328 0.000 0.900 299 T HN 0.703 nan 8.240 nan 0.000 0.480 300 S N 0.542 115.892 115.700 -0.584 0.000 2.481 300 S HA -0.019 4.451 4.470 -0.001 0.000 0.231 300 S C 0.762 175.403 174.600 0.069 0.000 0.996 300 S CA 0.091 58.119 58.200 -0.288 0.000 0.942 300 S CB -0.509 62.433 63.200 -0.430 0.000 0.768 300 S HN 0.511 nan 8.310 nan 0.000 0.520 301 W N 4.434 125.779 121.300 0.075 0.000 2.489 301 W HA 0.215 4.874 4.660 -0.000 0.000 0.327 301 W C -2.455 174.060 176.519 -0.007 0.000 1.436 301 W CA -1.871 55.533 57.345 0.100 0.000 1.315 301 W CB 0.387 29.928 29.460 0.135 0.000 1.373 301 W HN 0.150 nan 8.180 nan 0.000 0.557 302 P HA 0.088 nan 4.420 nan 0.000 0.272 302 P C 0.473 177.898 177.300 0.208 0.000 1.240 302 P CA 0.773 63.951 63.100 0.129 0.000 0.791 302 P CB 0.678 32.368 31.700 -0.016 0.000 0.978 303 D N 0.319 120.804 120.400 0.143 0.000 2.078 303 D HA -0.001 4.639 4.640 -0.001 0.000 0.193 303 D C 0.979 177.337 176.300 0.096 0.000 0.990 303 D CA 1.503 55.571 54.000 0.112 0.000 0.827 303 D CB -0.726 40.124 40.800 0.083 0.000 0.975 303 D HN 0.465 nan 8.370 nan 0.000 0.451 304 F N -0.716 119.279 119.950 0.074 0.000 2.421 304 F HA 0.669 5.196 4.527 -0.001 0.000 0.337 304 F C 1.347 177.165 175.800 0.031 0.000 1.105 304 F CA -0.468 57.563 58.000 0.051 0.000 1.049 304 F CB 0.765 39.787 39.000 0.037 0.000 1.139 304 F HN 1.174 nan 8.300 nan 0.000 0.479 305 G N 0.314 109.126 108.800 0.020 0.000 2.660 305 G HA2 0.337 4.296 3.960 -0.001 0.000 0.247 305 G HA3 0.337 4.296 3.960 -0.001 0.000 0.247 305 G C -0.535 174.314 174.900 -0.085 0.000 1.328 305 G CA 0.196 45.272 45.100 -0.040 0.000 0.884 305 G HN 2.515 nan 8.290 nan 0.000 0.531 306 V N -2.308 117.443 119.914 -0.272 0.000 2.966 306 V HA 0.872 4.992 4.120 -0.001 0.000 0.317 306 V C -1.689 173.831 176.094 -0.956 0.000 1.070 306 V CA -1.671 60.218 62.300 -0.686 0.000 1.008 306 V CB 1.316 32.693 31.823 -0.743 0.000 1.070 306 V HN 0.802 nan 8.190 nan 0.000 0.457 307 P HA 0.344 nan 4.420 nan 0.000 0.282 307 P C -0.209 176.592 177.300 -0.832 0.000 1.286 307 P CA -0.026 62.154 63.100 -1.533 0.000 0.777 307 P CB 0.287 31.260 31.700 -1.211 0.000 1.184 308 F N -2.029 117.870 119.950 -0.085 0.000 2.403 308 F HA 0.304 4.831 4.527 -0.001 0.000 0.263 308 F C 1.827 177.635 175.800 0.014 0.000 1.020 308 F CA 0.410 58.371 58.000 -0.064 0.000 1.091 308 F CB -1.597 37.327 39.000 -0.127 0.000 1.141 308 F HN 0.137 nan 8.300 nan 0.000 0.633 309 T N 1.137 115.862 114.554 0.285 0.000 2.849 309 T HA 0.432 4.782 4.350 -0.001 0.000 0.284 309 T C -2.018 172.793 174.700 0.184 0.000 1.004 309 T CA -1.701 60.506 62.100 0.177 0.000 1.021 309 T CB -0.315 68.646 68.868 0.156 0.000 1.013 309 T HN -0.037 nan 8.240 nan 0.000 0.527 310 P HA 0.289 nan 4.420 nan 0.000 0.274 310 P C 1.736 179.109 177.300 0.122 0.000 1.352 310 P CA 0.091 63.222 63.100 0.052 0.000 0.947 310 P CB -0.578 30.919 31.700 -0.339 0.000 1.437 311 I N 0.743 121.407 120.570 0.156 0.000 2.118 311 I HA -0.168 4.002 4.170 -0.001 0.000 0.241 311 I C 2.423 178.684 176.117 0.239 0.000 1.070 311 I CA 2.659 64.069 61.300 0.185 0.000 1.327 311 I CB -2.045 36.054 38.000 0.164 0.000 1.034 311 I HN 0.159 nan 8.210 nan 0.000 0.405 312 G N -0.681 108.291 108.800 0.287 0.000 2.440 312 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.218 312 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.218 312 G C 1.729 176.926 174.900 0.496 0.000 1.154 312 G CA 1.549 46.891 45.100 0.403 0.000 0.767 312 G HN 0.623 nan 8.290 nan 0.000 0.552 313 M N 0.037 119.855 119.600 0.364 0.000 2.229 313 M HA 0.233 4.712 4.480 -0.001 0.000 0.264 313 M C 2.270 178.706 176.300 0.226 0.000 1.063 313 M CA 1.036 56.463 55.300 0.212 0.000 1.114 313 M CB -0.295 32.374 32.600 0.116 0.000 1.387 313 M HN 0.179 nan 8.290 nan 0.000 0.420 314 L N -0.258 121.069 121.223 0.173 0.000 2.072 314 L HA -0.156 4.183 4.340 -0.001 0.000 0.205 314 L C 2.804 179.764 176.870 0.151 0.000 1.079 314 L CA 1.630 56.534 54.840 0.107 0.000 0.752 314 L CB -1.058 41.069 42.059 0.113 0.000 0.906 314 L HN 0.349 nan 8.230 nan 0.000 0.436 315 K N -0.066 120.473 120.400 0.231 0.000 2.057 315 K HA -0.252 4.068 4.320 -0.001 0.000 0.207 315 K C 1.876 178.595 176.600 0.199 0.000 1.049 315 K CA 1.829 58.258 56.287 0.237 0.000 0.931 315 K CB -1.471 31.215 32.500 0.310 0.000 0.714 315 K HN 0.281 nan 8.250 nan 0.000 0.440 316 F N 0.628 120.624 119.950 0.076 0.000 2.161 316 F HA -0.037 4.490 4.527 -0.001 0.000 0.300 316 F C 2.015 177.804 175.800 -0.018 0.000 1.089 316 F CA 1.585 59.518 58.000 -0.112 0.000 1.282 316 F CB -0.137 38.922 39.000 0.098 0.000 1.010 316 F HN 0.150 nan 8.300 nan 0.000 0.485 317 L N 0.544 121.815 121.223 0.080 0.000 2.291 317 L HA -0.049 4.291 4.340 -0.001 0.000 0.214 317 L C 2.546 179.349 176.870 -0.112 0.000 1.120 317 L CA 1.579 56.391 54.840 -0.046 0.000 0.799 317 L CB -0.714 41.270 42.059 -0.125 0.000 0.925 317 L HN 0.159 nan 8.230 nan 0.000 0.446 318 K N -0.136 120.224 120.400 -0.066 0.000 2.116 318 K HA -0.156 4.163 4.320 -0.001 0.000 0.203 318 K C 2.073 178.633 176.600 -0.068 0.000 1.052 318 K CA 1.492 57.753 56.287 -0.045 0.000 0.952 318 K CB -0.477 32.038 32.500 0.024 0.000 0.729 318 K HN 0.219 nan 8.250 nan 0.000 0.446 319 K N 0.378 120.706 120.400 -0.121 0.000 2.148 319 K HA 0.010 4.330 4.320 -0.001 0.000 0.204 319 K C 1.938 178.431 176.600 -0.179 0.000 1.050 319 K CA 1.193 57.397 56.287 -0.138 0.000 0.942 319 K CB -0.393 31.987 32.500 -0.199 0.000 0.724 319 K HN 0.156 nan 8.250 nan 0.000 0.446 320 V N 0.952 120.712 119.914 -0.258 0.000 2.307 320 V HA -0.253 3.866 4.120 -0.001 0.000 0.245 320 V C 2.637 178.686 176.094 -0.077 0.000 1.045 320 V CA 2.460 64.659 62.300 -0.168 0.000 1.024 320 V CB -0.862 30.900 31.823 -0.100 0.000 0.651 320 V HN 0.545 nan 8.190 nan 0.000 0.449 321 K N -0.493 119.868 120.400 -0.066 0.000 2.113 321 K HA -0.300 4.020 4.320 -0.001 0.000 0.208 321 K C 2.130 178.700 176.600 -0.049 0.000 1.047 321 K CA 2.467 58.721 56.287 -0.054 0.000 0.928 321 K CB -1.606 30.860 32.500 -0.057 0.000 0.716 321 K HN 0.554 nan 8.250 nan 0.000 0.446 322 T N 0.894 115.421 114.554 -0.044 0.000 2.777 322 T HA 0.033 4.382 4.350 -0.001 0.000 0.266 322 T C 1.799 176.483 174.700 -0.026 0.000 1.040 322 T CA 1.377 63.462 62.100 -0.026 0.000 1.141 322 T CB -0.157 68.705 68.868 -0.010 0.000 0.868 322 T HN 0.383 nan 8.240 nan 0.000 0.444 323 L N 0.514 121.716 121.223 -0.036 0.000 2.558 323 L HA 0.239 4.579 4.340 -0.001 0.000 0.225 323 L C 0.682 177.530 176.870 -0.037 0.000 1.128 323 L CA -0.108 54.716 54.840 -0.027 0.000 0.868 323 L CB -0.248 41.796 42.059 -0.025 0.000 1.006 323 L HN 0.106 nan 8.230 nan 0.000 0.454 324 N N 1.519 120.187 118.700 -0.054 0.000 2.419 324 N HA 0.223 4.962 4.740 -0.001 0.000 0.264 324 N C -2.341 173.103 175.510 -0.109 0.000 1.031 324 N CA -1.584 51.420 53.050 -0.078 0.000 0.951 324 N CB 0.994 39.434 38.487 -0.078 0.000 1.101 324 N HN -0.125 nan 8.380 nan 0.000 0.488 325 P HA 0.068 nan 4.420 nan 0.000 0.271 325 P C 1.162 178.308 177.300 -0.257 0.000 1.216 325 P CA -0.192 62.774 63.100 -0.224 0.000 0.776 325 P CB 0.617 32.065 31.700 -0.419 0.000 0.881 326 V N 3.547 123.382 119.914 -0.133 0.000 2.317 326 V HA -0.303 3.817 4.120 -0.001 0.000 0.251 326 V C 2.434 178.479 176.094 -0.083 0.000 1.065 326 V CA 2.593 64.846 62.300 -0.079 0.000 1.049 326 V CB -1.716 30.102 31.823 -0.010 0.000 0.651 326 V HN 0.812 nan 8.190 nan 0.000 0.450 327 H N -0.247 118.803 119.070 -0.035 0.000 2.529 327 H HA 0.470 5.026 4.556 -0.001 0.000 0.277 327 H C 1.155 176.455 175.328 -0.047 0.000 0.999 327 H CA 0.640 56.664 56.048 -0.039 0.000 1.256 327 H CB -0.400 29.342 29.762 -0.034 0.000 1.402 327 H HN 0.665 nan 8.280 nan 0.000 0.566 328 A N 1.438 123.971 122.820 -0.478 0.000 2.387 328 A HA 0.413 4.732 4.320 -0.001 0.000 0.251 328 A C 1.208 178.718 177.584 -0.124 0.000 1.113 328 A CA 0.163 52.020 52.037 -0.300 0.000 0.794 328 A CB -0.323 18.486 19.000 -0.319 0.000 1.069 328 A HN 0.563 nan 8.150 nan 0.000 0.506 329 G N -0.675 108.074 108.800 -0.086 0.000 2.516 329 G HA2 0.488 4.448 3.960 -0.001 0.000 0.276 329 G HA3 0.488 4.448 3.960 -0.001 0.000 0.276 329 G C -2.355 172.505 174.900 -0.067 0.000 1.390 329 G CA -0.801 44.262 45.100 -0.062 0.000 1.050 329 G HN 0.665 nan 8.290 nan 0.000 0.519 330 P HA 0.206 nan 4.420 nan 0.000 0.272 330 P C -0.251 177.034 177.300 -0.025 0.000 1.223 330 P CA -0.062 63.020 63.100 -0.030 0.000 0.784 330 P CB 1.007 32.754 31.700 0.078 0.000 0.923 331 I N 1.787 122.335 120.570 -0.036 0.000 2.452 331 I HA 0.060 4.229 4.170 -0.001 0.000 0.287 331 I C 0.477 176.677 176.117 0.138 0.000 1.079 331 I CA -0.658 60.674 61.300 0.054 0.000 1.387 331 I CB 0.716 38.783 38.000 0.112 0.000 1.404 331 I HN 0.011 nan 8.210 nan 0.000 0.522 332 V N 8.127 128.088 119.914 0.078 0.000 2.405 332 V HA 0.106 4.226 4.120 -0.001 0.000 0.264 332 V C 0.265 176.425 176.094 0.110 0.000 1.048 332 V CA -0.258 62.085 62.300 0.071 0.000 0.966 332 V CB 0.947 32.762 31.823 -0.014 0.000 1.015 332 V HN 0.403 nan 8.190 nan 0.000 0.477 333 V N 6.177 126.152 119.914 0.102 0.000 2.384 333 V HA 0.575 4.694 4.120 -0.001 0.000 0.287 333 V C -0.365 175.738 176.094 0.015 0.000 1.020 333 V CA -0.615 61.673 62.300 -0.019 0.000 0.850 333 V CB 1.418 33.199 31.823 -0.071 0.000 0.987 333 V HN 1.142 nan 8.190 nan 0.000 0.436 334 H N 2.318 121.331 119.070 -0.094 0.000 2.895 334 H HA 0.824 5.380 4.556 -0.001 0.000 0.373 334 H C -0.093 175.151 175.328 -0.140 0.000 1.174 334 H CA -0.323 55.663 56.048 -0.104 0.000 1.144 334 H CB 1.553 31.254 29.762 -0.103 0.000 1.793 334 H HN 0.660 nan 8.280 nan 0.000 0.551 335 C N 0.778 120.075 119.300 -0.006 0.000 3.185 335 C HA 0.900 5.360 4.460 -0.001 0.000 0.077 335 C C 2.098 177.122 174.990 0.056 0.000 2.338 335 C CA 0.821 59.792 59.018 -0.078 0.000 1.535 335 C CB 0.689 28.302 27.740 -0.212 0.000 2.550 335 C HN 0.952 nan 8.230 nan 0.000 0.425 336 S N 0.224 115.934 115.700 0.017 0.000 2.694 336 S HA 0.616 5.085 4.470 -0.001 0.000 0.225 336 S C 1.919 176.632 174.600 0.188 0.000 1.012 336 S CA 1.128 59.397 58.200 0.114 0.000 0.896 336 S CB -0.943 62.344 63.200 0.145 0.000 0.838 336 S HN 1.220 nan 8.310 nan 0.000 0.604 337 A N -0.089 122.797 122.820 0.110 0.000 2.123 337 A HA 0.472 4.791 4.320 -0.001 0.000 0.214 337 A C 1.901 179.515 177.584 0.051 0.000 1.152 337 A CA 1.273 53.375 52.037 0.108 0.000 0.728 337 A CB -0.726 18.164 19.000 -0.184 0.000 0.814 337 A HN 1.861 nan 8.150 nan 0.000 0.464 338 G N -1.507 107.295 108.800 0.003 0.000 2.143 338 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.249 338 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.249 338 G C 0.239 175.122 174.900 -0.029 0.000 0.981 338 G CA 0.671 45.767 45.100 -0.007 0.000 0.665 338 G HN 1.873 nan 8.290 nan 0.000 0.528 339 V N -3.939 115.945 119.914 -0.051 0.000 2.808 339 V HA 0.998 5.118 4.120 -0.001 0.000 0.308 339 V C 0.744 176.789 176.094 -0.081 0.000 1.099 339 V CA 0.554 62.823 62.300 -0.052 0.000 0.920 339 V CB 1.380 33.183 31.823 -0.034 0.000 1.014 339 V HN 2.120 nan 8.190 nan 0.000 0.425 340 G N 4.542 113.299 108.800 -0.072 0.000 1.829 340 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.214 340 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.214 340 G C 0.631 175.441 174.900 -0.150 0.000 1.627 340 G CA 0.282 45.326 45.100 -0.094 0.000 1.390 340 G HN 0.808 nan 8.290 nan 0.000 0.458 341 R N 0.127 120.428 120.500 -0.331 0.000 2.070 341 R HA 0.090 4.430 4.340 -0.001 0.000 0.233 341 R C 2.853 178.991 176.300 -0.270 0.000 1.137 341 R CA 2.217 57.985 56.100 -0.553 0.000 0.945 341 R CB -0.926 28.754 30.300 -1.032 0.000 0.845 341 R HN 0.496 nan 8.270 nan 0.000 0.430 342 T N -0.435 113.981 114.554 -0.229 0.000 2.778 342 T HA -0.154 4.196 4.350 -0.001 0.000 0.269 342 T C 1.800 176.476 174.700 -0.039 0.000 1.050 342 T CA 1.694 63.712 62.100 -0.136 0.000 1.137 342 T CB -0.423 68.372 68.868 -0.121 0.000 0.860 342 T HN 0.530 nan 8.240 nan 0.000 0.468 343 G N 0.233 109.012 108.800 -0.035 0.000 2.404 343 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.214 343 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.214 343 G C 1.856 176.789 174.900 0.055 0.000 1.189 343 G CA 1.603 46.709 45.100 0.009 0.000 0.789 343 G HN 0.630 nan 8.290 nan 0.000 0.533 344 T N -1.017 113.584 114.554 0.078 0.000 2.737 344 T HA -0.201 4.149 4.350 -0.001 0.000 0.269 344 T C 2.127 176.903 174.700 0.128 0.000 1.040 344 T CA 1.519 63.699 62.100 0.134 0.000 1.142 344 T CB -0.460 68.553 68.868 0.242 0.000 0.861 344 T HN 0.174 nan 8.240 nan 0.000 0.456 345 F N 1.755 121.691 119.950 -0.023 0.000 2.075 345 F HA 0.107 4.634 4.527 -0.001 0.000 0.297 345 F C 2.102 177.810 175.800 -0.153 0.000 1.113 345 F CA 1.079 59.046 58.000 -0.055 0.000 1.218 345 F CB -0.326 38.629 39.000 -0.075 0.000 0.984 345 F HN 0.103 nan 8.300 nan 0.000 0.472 346 I N -0.449 120.070 120.570 -0.084 0.000 2.208 346 I HA -0.307 3.863 4.170 -0.001 0.000 0.245 346 I C 2.241 178.260 176.117 -0.164 0.000 1.097 346 I CA 1.194 62.263 61.300 -0.385 0.000 1.363 346 I CB -0.558 37.210 38.000 -0.386 0.000 1.051 346 I HN 0.033 nan 8.210 nan 0.000 0.413 347 V N 1.003 120.912 119.914 -0.009 0.000 2.295 347 V HA -0.282 3.838 4.120 -0.001 0.000 0.246 347 V C 2.306 178.272 176.094 -0.213 0.000 1.049 347 V CA 1.854 64.164 62.300 0.016 0.000 1.024 347 V CB -0.415 31.465 31.823 0.096 0.000 0.648 347 V HN 0.334 nan 8.190 nan 0.000 0.447 348 I N 0.835 121.268 120.570 -0.227 0.000 2.208 348 I HA -0.278 3.891 4.170 -0.001 0.000 0.245 348 I C 2.625 178.527 176.117 -0.358 0.000 1.097 348 I CA 1.979 63.103 61.300 -0.293 0.000 1.363 348 I CB -0.938 36.908 38.000 -0.257 0.000 1.051 348 I HN 0.530 nan 8.210 nan 0.000 0.413 349 D N 0.853 121.016 120.400 -0.396 0.000 2.078 349 D HA -0.109 4.530 4.640 -0.001 0.000 0.193 349 D C 2.314 178.470 176.300 -0.241 0.000 0.990 349 D CA 1.560 55.372 54.000 -0.313 0.000 0.827 349 D CB -0.645 40.027 40.800 -0.213 0.000 0.975 349 D HN 0.434 nan 8.370 nan 0.000 0.451 350 A N -0.123 122.546 122.820 -0.252 0.000 1.903 350 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 350 A C 2.306 179.622 177.584 -0.448 0.000 1.191 350 A CA 2.720 54.535 52.037 -0.370 0.000 0.638 350 A CB -0.487 17.923 19.000 -0.982 0.000 0.823 350 A HN 0.460 nan 8.150 nan 0.000 0.451 351 M N -1.398 117.925 119.600 -0.461 0.000 2.319 351 M HA 0.042 4.521 4.480 -0.001 0.000 0.265 351 M C 2.221 178.329 176.300 -0.321 0.000 1.068 351 M CA 1.148 56.209 55.300 -0.398 0.000 1.118 351 M CB -1.185 31.201 32.600 -0.357 0.000 1.395 351 M HN 0.464 nan 8.290 nan 0.000 0.435 352 M N -0.284 119.131 119.600 -0.308 0.000 2.117 352 M HA -0.154 4.326 4.480 -0.001 0.000 0.262 352 M C 2.345 178.559 176.300 -0.143 0.000 1.065 352 M CA 1.779 56.929 55.300 -0.249 0.000 1.114 352 M CB -0.558 31.766 32.600 -0.460 0.000 1.361 352 M HN 0.298 nan 8.290 nan 0.000 0.408 353 A N 0.473 123.151 122.820 -0.236 0.000 1.883 353 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 353 A C 2.508 179.747 177.584 -0.576 0.000 1.186 353 A CA 2.914 54.786 52.037 -0.275 0.000 0.624 353 A CB -1.166 17.713 19.000 -0.201 0.000 0.822 353 A HN 0.474 nan 8.150 nan 0.000 0.444 354 M N -0.996 118.066 119.600 -0.896 0.000 2.117 354 M HA -0.028 4.451 4.480 -0.001 0.000 0.262 354 M C 2.482 178.550 176.300 -0.388 0.000 1.065 354 M CA 2.531 57.261 55.300 -0.951 0.000 1.114 354 M CB -1.586 30.627 32.600 -0.645 0.000 1.361 354 M HN 0.565 nan 8.290 nan 0.000 0.408 355 M N -1.434 118.021 119.600 -0.243 0.000 2.065 355 M HA -0.194 4.286 4.480 -0.001 0.000 0.259 355 M C 2.075 178.313 176.300 -0.103 0.000 1.069 355 M CA 2.170 57.387 55.300 -0.140 0.000 1.110 355 M CB -0.762 31.798 32.600 -0.067 0.000 1.328 355 M HN 0.719 nan 8.290 nan 0.000 0.405 356 H N -0.784 118.246 119.070 -0.066 0.000 2.567 356 H HA 0.031 4.587 4.556 -0.001 0.000 0.276 356 H C 1.490 176.797 175.328 -0.035 0.000 1.016 356 H CA 0.848 56.885 56.048 -0.020 0.000 1.186 356 H CB 0.270 30.041 29.762 0.014 0.000 1.351 356 H HN 0.404 nan 8.280 nan 0.000 0.605 357 A N -0.483 122.352 122.820 0.024 0.000 1.989 357 A HA 0.203 4.522 4.320 -0.001 0.000 0.201 357 A C 2.015 179.623 177.584 0.039 0.000 1.720 357 A CA 0.554 52.623 52.037 0.053 0.000 0.956 357 A CB -0.398 18.662 19.000 0.099 0.000 1.094 357 A HN 0.392 nan 8.150 nan 0.000 0.561 358 E N -1.957 118.241 120.200 -0.003 0.000 2.385 358 E HA 0.303 4.653 4.350 -0.001 0.000 0.194 358 E C 1.306 177.901 176.600 -0.009 0.000 1.013 358 E CA 2.020 58.433 56.400 0.022 0.000 0.866 358 E CB -1.039 28.689 29.700 0.048 0.000 0.832 358 E HN 1.877 nan 8.360 nan 0.000 0.500 359 Q N -2.835 116.937 119.800 -0.046 0.000 2.406 359 Q HA -0.080 4.260 4.340 -0.001 0.000 0.236 359 Q C 0.814 176.764 176.000 -0.083 0.000 0.799 359 Q CA 2.758 58.519 55.803 -0.070 0.000 1.286 359 Q CB -2.997 25.716 28.738 -0.043 0.000 1.615 359 Q HN 1.902 nan 8.270 nan 0.000 0.621 360 K N -1.158 119.203 120.400 -0.065 0.000 2.443 360 K HA 1.003 5.323 4.320 -0.001 0.000 0.251 360 K C -0.381 176.181 176.600 -0.063 0.000 0.972 360 K CA -0.064 56.200 56.287 -0.039 0.000 0.833 360 K CB 1.985 34.498 32.500 0.021 0.000 1.317 360 K HN 1.646 nan 8.250 nan 0.000 0.441 361 V N 1.261 121.151 119.914 -0.041 0.000 2.709 361 V HA 0.654 4.773 4.120 -0.001 0.000 0.308 361 V C -1.786 174.319 176.094 0.019 0.000 1.062 361 V CA -0.456 61.805 62.300 -0.065 0.000 0.901 361 V CB 2.014 33.762 31.823 -0.124 0.000 1.003 361 V HN 0.983 nan 8.190 nan 0.000 0.425 362 D N 4.624 125.044 120.400 0.032 0.000 2.405 362 D HA 0.241 4.880 4.640 -0.001 0.000 0.264 362 D C 0.687 177.081 176.300 0.157 0.000 1.240 362 D CA -0.098 53.991 54.000 0.147 0.000 0.893 362 D CB 1.748 42.674 40.800 0.209 0.000 1.198 362 D HN 0.322 nan 8.370 nan 0.000 0.514 363 V N 2.533 122.495 119.914 0.080 0.000 2.407 363 V HA -0.182 3.938 4.120 -0.001 0.000 0.248 363 V C 2.097 178.368 176.094 0.295 0.000 1.055 363 V CA 1.313 63.638 62.300 0.041 0.000 1.049 363 V CB -0.646 30.967 31.823 -0.350 0.000 0.662 363 V HN 0.483 nan 8.190 nan 0.000 0.455 364 F N 1.980 122.079 119.950 0.248 0.000 2.113 364 F HA -0.134 4.393 4.527 -0.001 0.000 0.297 364 F C 2.479 178.403 175.800 0.206 0.000 1.103 364 F CA 2.058 60.208 58.000 0.249 0.000 1.248 364 F CB -0.520 38.572 39.000 0.153 0.000 0.999 364 F HN 0.233 nan 8.300 nan 0.000 0.475 365 E N -0.167 120.238 120.200 0.343 0.000 2.268 365 E HA -0.205 4.145 4.350 -0.001 0.000 0.195 365 E C 1.795 178.488 176.600 0.155 0.000 0.995 365 E CA 1.404 57.940 56.400 0.226 0.000 0.836 365 E CB -1.446 28.431 29.700 0.295 0.000 0.763 365 E HN 0.577 nan 8.360 nan 0.000 0.491 366 F N 0.099 120.078 119.950 0.047 0.000 2.188 366 F HA 0.041 4.568 4.527 -0.001 0.000 0.289 366 F C 2.443 178.238 175.800 -0.010 0.000 1.082 366 F CA 1.083 59.102 58.000 0.031 0.000 1.282 366 F CB -0.052 38.977 39.000 0.047 0.000 1.060 366 F HN 0.065 nan 8.300 nan 0.000 0.493 367 V N 0.467 120.423 119.914 0.068 0.000 2.332 367 V HA -0.336 3.784 4.120 -0.001 0.000 0.248 367 V C 2.894 178.868 176.094 -0.200 0.000 1.055 367 V CA 2.204 64.479 62.300 -0.042 0.000 1.038 367 V CB -1.773 30.129 31.823 0.131 0.000 0.651 367 V HN 0.564 nan 8.190 nan 0.000 0.450 368 S N 0.227 115.759 115.700 -0.281 0.000 2.365 368 S HA -0.309 4.161 4.470 -0.001 0.000 0.225 368 S C 2.308 176.773 174.600 -0.225 0.000 1.039 368 S CA 2.929 60.944 58.200 -0.309 0.000 1.033 368 S CB -0.608 62.351 63.200 -0.402 0.000 0.887 368 S HN 0.572 nan 8.310 nan 0.000 0.447 369 R N 1.367 121.727 120.500 -0.233 0.000 2.073 369 R HA 0.133 4.473 4.340 -0.001 0.000 0.234 369 R C 2.345 178.478 176.300 -0.279 0.000 1.134 369 R CA 1.656 57.616 56.100 -0.233 0.000 0.952 369 R CB -1.752 28.407 30.300 -0.234 0.000 0.850 369 R HN 1.125 nan 8.270 nan 0.000 0.433 370 I N -1.761 118.554 120.570 -0.424 0.000 2.614 370 I HA -0.089 4.081 4.170 -0.001 0.000 0.258 370 I C 2.257 178.265 176.117 -0.182 0.000 1.189 370 I CA 1.312 62.414 61.300 -0.330 0.000 1.462 370 I CB -0.202 37.552 38.000 -0.409 0.000 1.092 370 I HN 0.176 nan 8.210 nan 0.000 0.442 371 R N 1.500 121.895 120.500 -0.175 0.000 2.148 371 R HA -0.072 4.268 4.340 -0.001 0.000 0.223 371 R C 2.291 178.524 176.300 -0.111 0.000 1.088 371 R CA 1.430 57.451 56.100 -0.132 0.000 0.985 371 R CB -0.856 29.360 30.300 -0.141 0.000 0.880 371 R HN 0.733 nan 8.270 nan 0.000 0.451 372 N N 1.083 119.716 118.700 -0.112 0.000 2.571 372 N HA -0.127 4.612 4.740 -0.001 0.000 0.189 372 N C 1.445 176.916 175.510 -0.066 0.000 1.154 372 N CA 0.681 53.678 53.050 -0.088 0.000 0.907 372 N CB -0.129 38.303 38.487 -0.092 0.000 0.977 372 N HN 0.450 nan 8.380 nan 0.000 0.449 373 Q N -1.549 118.219 119.800 -0.054 0.000 2.442 373 Q HA 0.195 4.534 4.340 -0.001 0.000 0.228 373 Q C 0.478 176.478 176.000 -0.001 0.000 0.902 373 Q CA 0.056 55.855 55.803 -0.005 0.000 0.933 373 Q CB 0.941 29.686 28.738 0.012 0.000 1.071 373 Q HN 0.424 nan 8.270 nan 0.000 0.562 374 R N 1.530 122.016 120.500 -0.024 0.000 2.510 374 R HA 0.299 4.639 4.340 -0.001 0.000 0.294 374 R C -2.881 173.391 176.300 -0.046 0.000 1.056 374 R CA -2.043 54.052 56.100 -0.008 0.000 0.918 374 R CB 1.848 32.145 30.300 -0.004 0.000 1.187 374 R HN -0.105 nan 8.270 nan 0.000 0.437 375 P HA -0.003 nan 4.420 nan 0.000 0.269 375 P C -0.900 176.330 177.300 -0.118 0.000 1.209 375 P CA 0.453 63.434 63.100 -0.198 0.000 0.776 375 P CB 0.664 32.025 31.700 -0.566 0.000 0.876 376 Q N -0.725 119.014 119.800 -0.101 0.000 2.502 376 Q HA -0.187 4.153 4.340 -0.001 0.000 0.273 376 Q C 0.896 176.892 176.000 -0.007 0.000 1.127 376 Q CA 0.065 55.848 55.803 -0.033 0.000 0.952 376 Q CB -1.715 27.026 28.738 0.005 0.000 1.333 376 Q HN 0.392 nan 8.270 nan 0.000 0.494 377 M N -0.365 119.224 119.600 -0.018 0.000 2.080 377 M HA -0.057 4.423 4.480 -0.001 0.000 0.260 377 M C 0.862 177.187 176.300 0.043 0.000 1.068 377 M CA 1.509 56.807 55.300 -0.003 0.000 1.109 377 M CB -0.083 32.501 32.600 -0.026 0.000 1.342 377 M HN 0.193 nan 8.290 nan 0.000 0.405 378 V N 0.633 120.617 119.914 0.117 0.000 2.427 378 V HA 0.149 4.268 4.120 -0.001 0.000 0.286 378 V C 1.005 177.246 176.094 0.244 0.000 1.034 378 V CA -0.531 61.880 62.300 0.185 0.000 0.893 378 V CB 1.836 33.844 31.823 0.308 0.000 0.982 378 V HN 0.314 nan 8.190 nan 0.000 0.452 379 Q N 2.337 122.221 119.800 0.141 0.000 2.200 379 Q HA 0.180 4.520 4.340 -0.001 0.000 0.197 379 Q C 1.123 177.211 176.000 0.147 0.000 0.953 379 Q CA 1.251 57.135 55.803 0.136 0.000 0.851 379 Q CB 0.215 28.963 28.738 0.017 0.000 0.938 379 Q HN 0.987 nan 8.270 nan 0.000 0.488 380 T N -0.289 114.246 114.554 -0.032 0.000 2.907 380 T HA 0.387 4.736 4.350 -0.001 0.000 0.284 380 T C 0.840 175.167 174.700 -0.622 0.000 1.004 380 T CA 0.268 62.265 62.100 -0.171 0.000 1.063 380 T CB 0.433 69.242 68.868 -0.098 0.000 0.992 380 T HN 0.219 nan 8.240 nan 0.000 0.483 381 D N 1.380 121.349 120.400 -0.717 0.000 2.158 381 D HA -0.127 4.513 4.640 -0.001 0.000 0.197 381 D C 2.144 178.230 176.300 -0.356 0.000 0.995 381 D CA 1.899 55.422 54.000 -0.794 0.000 0.846 381 D CB -0.627 40.014 40.800 -0.264 0.000 0.941 381 D HN 0.753 nan 8.370 nan 0.000 0.456 382 M N -0.551 118.929 119.600 -0.201 0.000 2.108 382 M HA -0.173 4.307 4.480 -0.001 0.000 0.261 382 M C 2.675 178.937 176.300 -0.065 0.000 1.066 382 M CA 1.571 56.812 55.300 -0.097 0.000 1.107 382 M CB -0.378 32.180 32.600 -0.069 0.000 1.356 382 M HN 0.318 nan 8.290 nan 0.000 0.406 383 Q N -0.843 118.910 119.800 -0.078 0.000 2.124 383 Q HA -0.208 4.132 4.340 -0.001 0.000 0.202 383 Q C 1.920 177.952 176.000 0.053 0.000 0.977 383 Q CA 1.562 57.377 55.803 0.021 0.000 0.850 383 Q CB -0.228 28.531 28.738 0.035 0.000 0.901 383 Q HN 0.490 nan 8.270 nan 0.000 0.429 384 Y N 0.931 121.104 120.300 -0.212 0.000 2.145 384 Y HA -0.248 4.302 4.550 -0.001 0.000 0.286 384 Y C 2.682 178.489 175.900 -0.155 0.000 1.145 384 Y CA 2.110 60.122 58.100 -0.146 0.000 1.148 384 Y CB -0.633 37.689 38.460 -0.230 0.000 0.981 384 Y HN 0.242 nan 8.280 nan 0.000 0.507 385 T N -0.829 113.597 114.554 -0.213 0.000 2.803 385 T HA -0.290 4.060 4.350 -0.001 0.000 0.269 385 T C 1.762 176.361 174.700 -0.168 0.000 1.052 385 T CA 1.691 63.540 62.100 -0.420 0.000 1.136 385 T CB -1.046 67.666 68.868 -0.260 0.000 0.864 385 T HN 0.387 nan 8.240 nan 0.000 0.467 386 F N 1.105 120.942 119.950 -0.189 0.000 2.234 386 F HA 0.090 4.617 4.527 -0.001 0.000 0.299 386 F C 2.038 177.750 175.800 -0.146 0.000 1.087 386 F CA 0.503 58.414 58.000 -0.149 0.000 1.340 386 F CB -0.117 38.795 39.000 -0.147 0.000 1.031 386 F HN 0.225 nan 8.300 nan 0.000 0.500 387 I N -0.917 119.596 120.570 -0.096 0.000 2.208 387 I HA -0.370 3.800 4.170 -0.001 0.000 0.245 387 I C 1.994 177.898 176.117 -0.354 0.000 1.097 387 I CA 1.566 62.715 61.300 -0.252 0.000 1.363 387 I CB -0.656 37.143 38.000 -0.335 0.000 1.051 387 I HN 0.125 nan 8.210 nan 0.000 0.413 388 Y N 0.947 121.033 120.300 -0.356 0.000 2.200 388 Y HA -0.246 4.304 4.550 -0.001 0.000 0.290 388 Y C 2.786 178.565 175.900 -0.201 0.000 1.137 388 Y CA 1.457 59.402 58.100 -0.258 0.000 1.163 388 Y CB -0.432 37.861 38.460 -0.277 0.000 0.988 388 Y HN 0.163 nan 8.280 nan 0.000 0.518 389 Q N -0.477 119.260 119.800 -0.104 0.000 2.061 389 Q HA -0.239 4.100 4.340 -0.001 0.000 0.204 389 Q C 2.565 178.438 176.000 -0.211 0.000 0.984 389 Q CA 1.540 57.256 55.803 -0.146 0.000 0.846 389 Q CB -0.419 28.187 28.738 -0.221 0.000 0.902 389 Q HN 0.531 nan 8.270 nan 0.000 0.421 390 A N 0.841 123.414 122.820 -0.411 0.000 1.877 390 A HA -0.182 4.138 4.320 -0.001 0.000 0.216 390 A C 2.086 179.598 177.584 -0.119 0.000 1.186 390 A CA 1.211 53.050 52.037 -0.329 0.000 0.620 390 A CB -0.768 17.955 19.000 -0.462 0.000 0.822 390 A HN 0.303 nan 8.150 nan 0.000 0.443 391 L N -1.183 119.959 121.223 -0.135 0.000 2.042 391 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 391 L C 2.583 179.492 176.870 0.064 0.000 1.076 391 L CA 1.283 56.097 54.840 -0.043 0.000 0.749 391 L CB -0.492 41.478 42.059 -0.147 0.000 0.893 391 L HN 0.488 nan 8.230 nan 0.000 0.432 392 L N 0.201 121.451 121.223 0.045 0.000 2.005 392 L HA -0.219 4.120 4.340 -0.001 0.000 0.207 392 L C 2.468 179.379 176.870 0.068 0.000 1.072 392 L CA 1.895 56.783 54.840 0.080 0.000 0.744 392 L CB -0.572 41.529 42.059 0.071 0.000 0.895 392 L HN 0.191 nan 8.230 nan 0.000 0.433 393 E N -1.067 119.175 120.200 0.070 0.000 2.086 393 E HA -0.365 3.985 4.350 -0.001 0.000 0.200 393 E C 2.193 178.888 176.600 0.157 0.000 1.012 393 E CA 2.092 58.577 56.400 0.142 0.000 0.812 393 E CB -0.694 29.099 29.700 0.155 0.000 0.743 393 E HN 0.618 nan 8.360 nan 0.000 0.453 394 Y N -0.671 119.652 120.300 0.038 0.000 2.497 394 Y HA -0.147 4.403 4.550 -0.001 0.000 0.292 394 Y C 1.735 177.660 175.900 0.041 0.000 1.137 394 Y CA 1.486 59.611 58.100 0.042 0.000 1.285 394 Y CB -0.239 38.226 38.460 0.008 0.000 0.991 394 Y HN 0.276 nan 8.280 nan 0.000 0.556 395 Y N -0.787 119.391 120.300 -0.203 0.000 2.222 395 Y HA 0.032 4.582 4.550 -0.001 0.000 0.290 395 Y C 2.519 178.226 175.900 -0.321 0.000 1.123 395 Y CA 2.007 59.928 58.100 -0.298 0.000 1.120 395 Y CB -0.899 37.452 38.460 -0.181 0.000 1.060 395 Y HN -0.047 nan 8.280 nan 0.000 0.508 396 L N -0.367 120.570 121.223 -0.477 0.000 2.013 396 L HA -0.199 4.140 4.340 -0.001 0.000 0.212 396 L C 2.101 178.514 176.870 -0.761 0.000 1.073 396 L CA 2.939 57.314 54.840 -0.775 0.000 0.753 396 L CB -2.098 39.426 42.059 -0.892 0.000 0.890 396 L HN 0.630 nan 8.230 nan 0.000 0.432 397 Y N -1.328 118.855 120.300 -0.195 0.000 2.558 397 Y HA 0.416 4.965 4.550 -0.001 0.000 0.273 397 Y C 2.254 178.045 175.900 -0.183 0.000 1.100 397 Y CA 0.070 58.053 58.100 -0.195 0.000 1.276 397 Y CB -0.397 38.049 38.460 -0.023 0.000 1.196 397 Y HN 0.426 nan 8.280 nan 0.000 0.527 398 G N 1.682 110.436 108.800 -0.077 0.000 2.990 398 G HA2 -0.515 3.445 3.960 -0.001 0.000 0.359 398 G HA3 -0.515 3.445 3.960 -0.001 0.000 0.359 398 G C 0.479 175.342 174.900 -0.062 0.000 0.951 398 G CA 1.227 46.186 45.100 -0.235 0.000 0.794 398 G HN 0.502 nan 8.290 nan 0.000 0.982 399 D N 0.140 120.474 120.400 -0.109 0.000 2.435 399 D HA 0.519 5.158 4.640 -0.001 0.000 0.230 399 D C 1.357 177.660 176.300 0.004 0.000 1.215 399 D CA 0.988 54.982 54.000 -0.011 0.000 0.947 399 D CB -0.482 40.310 40.800 -0.013 0.000 1.048 399 D HN 1.091 nan 8.370 nan 0.000 0.512 400 T N -3.491 111.098 114.554 0.059 0.000 3.058 400 T HA 0.472 4.822 4.350 -0.001 0.000 0.278 400 T C 0.918 175.689 174.700 0.119 0.000 0.974 400 T CA 0.744 62.897 62.100 0.087 0.000 0.893 400 T CB -0.009 68.923 68.868 0.107 0.000 1.138 400 T HN 0.747 nan 8.240 nan 0.000 0.529 401 E N 0.561 120.827 120.200 0.110 0.000 2.390 401 E HA 0.738 5.087 4.350 -0.001 0.000 0.261 401 E C -0.197 176.450 176.600 0.077 0.000 1.076 401 E CA -0.004 56.453 56.400 0.096 0.000 0.905 401 E CB 0.281 30.043 29.700 0.102 0.000 0.984 401 E HN 1.386 nan 8.360 nan 0.000 0.427 402 L N -0.769 120.491 121.223 0.063 0.000 2.465 402 L HA 0.853 5.193 4.340 -0.001 0.000 0.257 402 L C -0.024 176.869 176.870 0.039 0.000 0.988 402 L CA -0.473 54.399 54.840 0.052 0.000 0.827 402 L CB 1.029 43.124 42.059 0.060 0.000 1.397 402 L HN 1.173 nan 8.230 nan 0.000 0.410 403 D N -0.195 120.226 120.400 0.035 0.000 2.225 403 D HA 0.721 5.361 4.640 -0.001 0.000 0.249 403 D C 1.377 177.693 176.300 0.026 0.000 1.052 403 D CA 0.337 54.354 54.000 0.028 0.000 0.909 403 D CB 1.739 42.556 40.800 0.027 0.000 1.186 403 D HN 2.249 nan 8.370 nan 0.000 0.431 404 V N 0.288 120.217 119.914 0.024 0.000 2.688 404 V HA 0.084 4.203 4.120 -0.001 0.000 0.256 404 V C 2.841 178.951 176.094 0.025 0.000 1.084 404 V CA 3.412 65.729 62.300 0.028 0.000 1.103 404 V CB -1.346 30.498 31.823 0.035 0.000 0.688 404 V HN 0.960 nan 8.190 nan 0.000 0.480 405 S N 0.535 116.247 115.700 0.021 0.000 2.359 405 S HA 0.072 4.541 4.470 -0.001 0.000 0.223 405 S C 1.790 176.400 174.600 0.018 0.000 1.039 405 S CA 1.881 60.091 58.200 0.017 0.000 1.042 405 S CB -0.798 62.412 63.200 0.016 0.000 0.915 405 S HN 1.450 nan 8.310 nan 0.000 0.439 426 L N 2.193 123.416 121.223 -0.000 0.000 2.109 426 L HA 0.258 4.597 4.340 -0.001 0.000 0.207 426 L C 3.095 180.071 176.870 0.176 0.000 1.086 426 L CA 2.573 57.483 54.840 0.117 0.000 0.760 426 L CB -1.004 41.121 42.059 0.111 0.000 0.910 426 L HN 0.412 nan 8.230 nan 0.000 0.437 427 E N 0.705 120.970 120.200 0.109 0.000 2.086 427 E HA -0.361 3.989 4.350 -0.001 0.000 0.205 427 E C 2.208 178.891 176.600 0.137 0.000 1.027 427 E CA 2.442 58.914 56.400 0.120 0.000 0.830 427 E CB -1.347 28.395 29.700 0.070 0.000 0.751 427 E HN 0.636 nan 8.360 nan 0.000 0.456 428 E N 0.878 121.127 120.200 0.081 0.000 2.058 428 E HA -0.267 4.082 4.350 -0.001 0.000 0.194 428 E C 2.032 178.663 176.600 0.052 0.000 0.997 428 E CA 1.569 58.000 56.400 0.051 0.000 0.801 428 E CB -0.694 29.012 29.700 0.009 0.000 0.746 428 E HN 0.828 nan 8.360 nan 0.000 0.450 429 E N -1.144 119.096 120.200 0.066 0.000 2.023 429 E HA -0.122 4.227 4.350 -0.001 0.000 0.196 429 E C 1.997 178.663 176.600 0.111 0.000 1.003 429 E CA 1.355 57.796 56.400 0.068 0.000 0.809 429 E CB -0.326 29.519 29.700 0.242 0.000 0.755 429 E HN 0.582 nan 8.360 nan 0.000 0.449 430 F N 1.337 121.213 119.950 -0.122 0.000 2.202 430 F HA -0.250 4.277 4.527 -0.001 0.000 0.301 430 F C 2.660 178.420 175.800 -0.067 0.000 1.082 430 F CA 2.136 59.994 58.000 -0.237 0.000 1.313 430 F CB -0.413 38.459 39.000 -0.214 0.000 1.024 430 F HN -0.108 nan 8.300 nan 0.000 0.495 431 R N 0.631 121.155 120.500 0.040 0.000 2.091 431 R HA -0.187 4.153 4.340 -0.001 0.000 0.238 431 R C 2.137 178.403 176.300 -0.056 0.000 1.136 431 R CA 2.119 58.212 56.100 -0.012 0.000 0.959 431 R CB -1.383 28.951 30.300 0.056 0.000 0.856 431 R HN 0.461 nan 8.270 nan 0.000 0.437 432 K N 0.328 120.739 120.400 0.019 0.000 1.985 432 K HA 0.058 4.378 4.320 -0.001 0.000 0.210 432 K C 2.313 178.916 176.600 0.005 0.000 1.047 432 K CA 1.523 57.870 56.287 0.101 0.000 0.932 432 K CB -0.401 32.248 32.500 0.248 0.000 0.716 432 K HN 0.274 nan 8.250 nan 0.000 0.439 433 L N 0.939 122.126 121.223 -0.060 0.000 2.103 433 L HA -0.290 4.050 4.340 -0.001 0.000 0.215 433 L C 2.400 179.079 176.870 -0.319 0.000 1.080 433 L CA 1.371 56.043 54.840 -0.280 0.000 0.764 433 L CB -0.830 40.965 42.059 -0.440 0.000 0.890 433 L HN 0.338 nan 8.230 nan 0.000 0.435 434 T N -0.766 113.544 114.554 -0.407 0.000 2.867 434 T HA -0.093 4.257 4.350 -0.001 0.000 0.268 434 T C 1.437 176.056 174.700 -0.135 0.000 1.057 434 T CA 1.139 63.047 62.100 -0.320 0.000 1.136 434 T CB -0.151 68.503 68.868 -0.357 0.000 0.874 434 T HN 0.291 nan 8.240 nan 0.000 0.466 435 N N 0.893 119.542 118.700 -0.085 0.000 2.398 435 N HA 0.165 4.905 4.740 -0.001 0.000 0.188 435 N C 0.347 175.849 175.510 -0.015 0.000 1.122 435 N CA -0.010 53.026 53.050 -0.024 0.000 0.866 435 N CB -0.417 38.078 38.487 0.014 0.000 0.970 435 N HN 0.396 nan 8.380 nan 0.000 0.462 436 V N 0.847 120.732 119.914 -0.049 0.000 2.509 436 V HA 0.374 4.493 4.120 -0.001 0.000 0.297 436 V C 1.178 177.250 176.094 -0.037 0.000 1.014 436 V CA -0.023 62.249 62.300 -0.046 0.000 1.127 436 V CB -0.997 30.768 31.823 -0.096 0.000 0.925 436 V HN 0.384 nan 8.190 nan 0.000 0.480 437 R N 5.317 125.810 120.500 -0.013 0.000 2.643 437 R HA 0.585 4.924 4.340 -0.001 0.000 0.270 437 R C -0.036 176.268 176.300 0.006 0.000 1.061 437 R CA -0.056 56.043 56.100 -0.002 0.000 1.107 437 R CB 0.052 30.355 30.300 0.005 0.000 0.999 437 R HN 0.880 nan 8.270 nan 0.000 0.460 438 I N 2.322 122.907 120.570 0.025 0.000 2.315 438 I HA 0.251 4.421 4.170 -0.001 0.000 0.291 438 I C 1.426 177.623 176.117 0.132 0.000 1.006 438 I CA -0.270 61.091 61.300 0.100 0.000 1.265 438 I CB 1.606 39.626 38.000 0.034 0.000 1.387 438 I HN 0.868 nan 8.210 nan 0.000 0.475 439 M N 5.833 125.534 119.600 0.169 0.000 3.759 439 M HA 0.154 4.634 4.480 -0.001 0.000 0.190 439 M C 1.475 177.875 176.300 0.167 0.000 1.478 439 M CA 0.619 55.944 55.300 0.042 0.000 1.691 439 M CB -1.711 30.721 32.600 -0.279 0.000 1.113 439 M HN 0.825 nan 8.290 nan 0.000 0.542 440 K N 0.073 120.559 120.400 0.144 0.000 2.113 440 K HA -0.071 4.249 4.320 -0.001 0.000 0.208 440 K C 2.032 178.692 176.600 0.101 0.000 1.047 440 K CA 2.608 58.970 56.287 0.124 0.000 0.928 440 K CB -1.664 30.884 32.500 0.080 0.000 0.716 440 K HN 1.156 nan 8.250 nan 0.000 0.446 441 E N -0.042 120.203 120.200 0.076 0.000 2.118 441 E HA -0.159 4.191 4.350 -0.001 0.000 0.195 441 E C 1.969 178.617 176.600 0.080 0.000 0.992 441 E CA 1.658 58.094 56.400 0.061 0.000 0.804 441 E CB -1.619 28.106 29.700 0.041 0.000 0.741 441 E HN 0.969 nan 8.360 nan 0.000 0.458 442 N N -0.588 118.175 118.700 0.104 0.000 2.362 442 N HA 0.374 5.113 4.740 -0.001 0.000 0.204 442 N C 1.306 176.948 175.510 0.220 0.000 1.166 442 N CA 0.617 53.755 53.050 0.146 0.000 0.831 442 N CB -0.308 38.251 38.487 0.121 0.000 1.008 442 N HN 0.443 nan 8.380 nan 0.000 0.472 443 M N 0.080 119.788 119.600 0.180 0.000 2.673 443 M HA 0.169 4.648 4.480 -0.001 0.000 0.334 443 M C 2.385 178.726 176.300 0.068 0.000 1.211 443 M CA -0.084 55.305 55.300 0.148 0.000 0.962 443 M CB 0.617 33.293 32.600 0.126 0.000 1.343 443 M HN 0.550 nan 8.290 nan 0.000 0.511 444 R N 0.423 120.961 120.500 0.065 0.000 2.096 444 R HA -0.108 4.232 4.340 -0.001 0.000 0.229 444 R C 2.074 178.362 176.300 -0.020 0.000 1.134 444 R CA 2.637 58.751 56.100 0.023 0.000 0.917 444 R CB -2.201 28.123 30.300 0.039 0.000 0.832 444 R HN 0.564 nan 8.270 nan 0.000 0.430 445 T N -0.312 114.247 114.554 0.008 0.000 2.649 445 T HA -0.082 4.267 4.350 -0.001 0.000 0.268 445 T C 2.423 176.985 174.700 -0.231 0.000 1.036 445 T CA 2.693 64.775 62.100 -0.030 0.000 1.157 445 T CB -0.981 67.942 68.868 0.091 0.000 0.861 445 T HN 0.742 nan 8.240 nan 0.000 0.445 446 G N -0.038 108.645 108.800 -0.195 0.000 2.712 446 G HA2 0.244 4.203 3.960 -0.001 0.000 0.212 446 G HA3 0.244 4.203 3.960 -0.001 0.000 0.212 446 G C 1.393 176.076 174.900 -0.362 0.000 1.142 446 G CA 1.204 46.042 45.100 -0.437 0.000 0.789 446 G HN 0.891 nan 8.290 nan 0.000 0.535 447 N N -0.693 117.876 118.700 -0.218 0.000 2.236 447 N HA 0.565 5.305 4.740 -0.001 0.000 0.196 447 N C 0.971 176.368 175.510 -0.188 0.000 1.114 447 N CA 0.421 53.373 53.050 -0.163 0.000 0.859 447 N CB -0.307 38.130 38.487 -0.082 0.000 0.982 447 N HN 0.534 nan 8.380 nan 0.000 0.493 448 L N -0.068 121.001 121.223 -0.257 0.000 2.483 448 L HA 0.460 4.799 4.340 -0.001 0.000 0.276 448 L C -0.378 176.293 176.870 -0.332 0.000 1.213 448 L CA -0.900 53.764 54.840 -0.293 0.000 0.843 448 L CB -0.667 41.159 42.059 -0.389 0.000 1.107 448 L HN 0.134 nan 8.230 nan 0.000 0.487 449 P HA -0.198 nan 4.420 nan 0.000 0.215 449 P C 1.889 179.049 177.300 -0.234 0.000 1.157 449 P CA 2.460 65.433 63.100 -0.211 0.000 0.874 449 P CB 0.141 31.749 31.700 -0.152 0.000 0.790 450 A N -0.350 122.258 122.820 -0.353 0.000 1.908 450 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 450 A C 1.904 179.358 177.584 -0.216 0.000 1.181 450 A CA 2.047 53.933 52.037 -0.251 0.000 0.627 450 A CB -1.344 17.488 19.000 -0.280 0.000 0.818 450 A HN 0.172 nan 8.150 nan 0.000 0.445 451 N N -1.307 117.180 118.700 -0.356 0.000 2.412 451 N HA 0.075 4.814 4.740 -0.001 0.000 0.184 451 N C 1.658 176.985 175.510 -0.304 0.000 1.101 451 N CA 1.241 54.057 53.050 -0.389 0.000 0.881 451 N CB -0.373 37.603 38.487 -0.853 0.000 0.969 451 N HN 0.546 nan 8.380 nan 0.000 0.459 452 M N 0.927 120.394 119.600 -0.222 0.000 2.117 452 M HA -0.025 4.455 4.480 -0.001 0.000 0.262 452 M C 2.444 178.713 176.300 -0.051 0.000 1.065 452 M CA 2.355 57.576 55.300 -0.131 0.000 1.114 452 M CB -1.888 30.647 32.600 -0.108 0.000 1.361 452 M HN 0.368 nan 8.290 nan 0.000 0.408 453 K N 0.936 121.322 120.400 -0.024 0.000 2.365 453 K HA -0.028 4.291 4.320 -0.001 0.000 0.199 453 K C 1.846 178.526 176.600 0.133 0.000 1.045 453 K CA 1.609 57.933 56.287 0.063 0.000 0.962 453 K CB -0.862 31.690 32.500 0.087 0.000 0.759 453 K HN 0.854 nan 8.250 nan 0.000 0.469 454 K N 0.016 120.440 120.400 0.039 0.000 2.444 454 K HA 0.282 4.601 4.320 -0.001 0.000 0.193 454 K C 0.427 177.047 176.600 0.035 0.000 1.024 454 K CA 0.288 56.553 56.287 -0.035 0.000 1.077 454 K CB 0.699 33.202 32.500 0.005 0.000 0.833 454 K HN 0.348 nan 8.250 nan 0.000 0.517 455 A N 1.066 123.925 122.820 0.065 0.000 2.288 455 A HA 0.321 4.641 4.320 -0.001 0.000 0.320 455 A C 0.506 178.110 177.584 0.033 0.000 1.217 455 A CA -0.638 51.431 52.037 0.053 0.000 0.840 455 A CB 0.864 19.898 19.000 0.057 0.000 1.179 455 A HN 0.146 nan 8.150 nan 0.000 0.504 456 R N 1.054 121.564 120.500 0.018 0.000 2.066 456 R HA 0.002 4.342 4.340 -0.001 0.000 0.232 456 R C -0.247 176.055 176.300 0.004 0.000 1.131 456 R CA 1.333 57.441 56.100 0.014 0.000 0.955 456 R CB 0.018 30.321 30.300 0.004 0.000 0.851 456 R HN 0.510 nan 8.270 nan 0.000 0.432 457 V N 1.781 121.692 119.914 -0.004 0.000 2.376 457 V HA 0.151 4.271 4.120 -0.001 0.000 0.287 457 V C 0.809 176.898 176.094 -0.008 0.000 1.015 457 V CA -0.353 61.940 62.300 -0.012 0.000 0.834 457 V CB 1.766 33.574 31.823 -0.026 0.000 1.001 457 V HN 0.207 nan 8.190 nan 0.000 0.428 458 I N 2.477 123.042 120.570 -0.008 0.000 3.176 458 I HA -0.109 4.061 4.170 -0.001 0.000 0.275 458 I C 2.495 178.610 176.117 -0.004 0.000 1.298 458 I CA 1.172 62.467 61.300 -0.008 0.000 1.445 458 I CB -0.685 37.304 38.000 -0.017 0.000 1.075 458 I HN 0.789 nan 8.210 nan 0.000 0.482 459 Q N 1.611 121.411 119.800 -0.000 0.000 2.269 459 Q HA 0.146 4.485 4.340 -0.001 0.000 0.201 459 Q C 1.289 177.322 176.000 0.054 0.000 0.946 459 Q CA 0.819 56.636 55.803 0.024 0.000 0.877 459 Q CB -0.118 28.620 28.738 0.000 0.000 0.963 459 Q HN 0.579 nan 8.270 nan 0.000 0.472 460 I N 0.972 121.555 120.570 0.021 0.000 2.347 460 I HA 0.526 4.695 4.170 -0.001 0.000 0.283 460 I C -0.785 175.310 176.117 -0.035 0.000 1.058 460 I CA -0.293 61.018 61.300 0.019 0.000 1.202 460 I CB 0.725 38.730 38.000 0.008 0.000 1.386 460 I HN 0.285 nan 8.210 nan 0.000 0.475 461 I N 7.729 128.247 120.570 -0.086 0.000 2.841 461 I HA 0.331 4.501 4.170 -0.001 0.000 0.298 461 I C -2.506 173.498 176.117 -0.187 0.000 1.304 461 I CA -1.834 59.419 61.300 -0.078 0.000 1.019 461 I CB 3.914 41.904 38.000 -0.016 0.000 1.282 461 I HN 0.245 nan 8.210 nan 0.000 0.432 462 P HA 0.109 nan 4.420 nan 0.000 0.276 462 P C -1.188 176.008 177.300 -0.173 0.000 1.235 462 P CA 0.036 63.004 63.100 -0.220 0.000 0.772 462 P CB 0.184 31.785 31.700 -0.165 0.000 0.871 463 Y N 0.395 120.606 120.300 -0.149 0.000 2.702 463 Y HA 0.044 4.594 4.550 -0.001 0.000 0.336 463 Y C 2.299 178.095 175.900 -0.172 0.000 1.235 463 Y CA 1.223 59.242 58.100 -0.134 0.000 1.492 463 Y CB -0.945 37.407 38.460 -0.180 0.000 1.308 463 Y HN 0.515 nan 8.280 nan 0.000 0.589 464 D N 3.279 123.776 120.400 0.162 0.000 2.309 464 D HA -0.172 4.468 4.640 -0.001 0.000 0.212 464 D C 1.622 177.988 176.300 0.110 0.000 0.968 464 D CA 1.480 55.551 54.000 0.119 0.000 0.882 464 D CB -0.867 40.021 40.800 0.148 0.000 0.918 464 D HN 0.640 nan 8.370 nan 0.000 0.503 465 F N 1.093 121.103 119.950 0.100 0.000 2.234 465 F HA 0.065 4.592 4.527 -0.001 0.000 0.296 465 F C 1.401 177.236 175.800 0.059 0.000 1.089 465 F CA 1.007 59.042 58.000 0.057 0.000 1.343 465 F CB -0.069 38.937 39.000 0.009 0.000 1.040 465 F HN 0.146 nan 8.300 nan 0.000 0.498 466 N N 1.385 119.640 118.700 -0.742 0.000 2.328 466 N HA 0.082 4.821 4.740 -0.001 0.000 0.247 466 N C -0.336 175.047 175.510 -0.211 0.000 1.165 466 N CA -0.648 52.173 53.050 -0.382 0.000 0.873 466 N CB -0.431 37.748 38.487 -0.513 0.000 1.125 466 N HN 0.579 nan 8.380 nan 0.000 0.513 467 R N -0.891 119.508 120.500 -0.169 0.000 2.560 467 R HA 0.478 4.817 4.340 -0.001 0.000 0.270 467 R C -0.757 175.462 176.300 -0.135 0.000 1.074 467 R CA -0.730 55.267 56.100 -0.172 0.000 1.140 467 R CB 0.749 30.985 30.300 -0.106 0.000 1.073 467 R HN -0.163 nan 8.270 nan 0.000 0.527 468 V N 3.079 122.803 119.914 -0.316 0.000 2.299 468 V HA 0.216 4.336 4.120 -0.001 0.000 0.255 468 V C 0.837 176.881 176.094 -0.084 0.000 1.100 468 V CA 0.047 62.097 62.300 -0.416 0.000 0.938 468 V CB 0.127 31.452 31.823 -0.830 0.000 1.139 468 V HN 0.706 nan 8.190 nan 0.000 0.490 469 I N 5.891 126.560 120.570 0.165 0.000 2.496 469 I HA 0.554 4.724 4.170 -0.001 0.000 0.285 469 I C 0.099 176.404 176.117 0.312 0.000 1.080 469 I CA 0.066 61.496 61.300 0.216 0.000 1.404 469 I CB 0.078 38.218 38.000 0.234 0.000 1.403 469 I HN 0.596 nan 8.210 nan 0.000 0.539 470 L N 4.307 125.644 121.223 0.190 0.000 2.365 470 L HA 0.760 5.099 4.340 -0.001 0.000 0.267 470 L C 1.168 178.104 176.870 0.109 0.000 1.033 470 L CA -0.660 54.280 54.840 0.167 0.000 0.802 470 L CB 1.167 43.288 42.059 0.104 0.000 1.267 470 L HN 0.890 nan 8.230 nan 0.000 0.457 471 S N 0.546 116.288 115.700 0.070 0.000 2.548 471 S HA 0.607 5.076 4.470 -0.001 0.000 0.277 471 S C 0.197 174.821 174.600 0.040 0.000 1.315 471 S CA -0.116 58.109 58.200 0.041 0.000 1.050 471 S CB 0.483 63.693 63.200 0.017 0.000 0.918 471 S HN 0.498 nan 8.310 nan 0.000 0.497 479 T N -4.174 110.464 114.554 0.141 0.000 3.054 479 T HA -0.022 4.328 4.350 -0.001 0.000 0.255 479 T C 1.190 175.958 174.700 0.114 0.000 1.035 479 T CA 0.567 62.734 62.100 0.112 0.000 0.941 479 T CB 0.114 69.019 68.868 0.062 0.000 1.026 479 T HN 0.458 nan 8.240 nan 0.000 0.533 480 D N 0.384 120.867 120.400 0.138 0.000 2.269 480 D HA -0.105 4.535 4.640 -0.001 0.000 0.208 480 D C 0.494 176.881 176.300 0.144 0.000 0.963 480 D CA 0.146 54.226 54.000 0.133 0.000 0.864 480 D CB -0.543 40.339 40.800 0.136 0.000 0.936 480 D HN 0.500 nan 8.370 nan 0.000 0.505 481 Y N 0.710 121.036 120.300 0.044 0.000 2.319 481 Y HA 0.443 4.992 4.550 -0.001 0.000 0.328 481 Y C -0.441 175.440 175.900 -0.032 0.000 1.133 481 Y CA -0.831 57.272 58.100 0.005 0.000 1.265 481 Y CB 0.573 39.033 38.460 -0.000 0.000 1.218 481 Y HN -0.030 nan 8.280 nan 0.000 0.508 482 I N 6.854 126.916 120.570 -0.846 0.000 2.627 482 I HA 0.175 4.344 4.170 -0.001 0.000 0.288 482 I C -1.205 174.333 176.117 -0.964 0.000 1.202 482 I CA -0.787 60.071 61.300 -0.736 0.000 1.050 482 I CB 1.194 38.979 38.000 -0.359 0.000 1.264 482 I HN 0.683 nan 8.210 nan 0.000 0.429 483 N N 6.738 124.958 118.700 -0.800 0.000 2.383 483 N HA 0.250 4.990 4.740 -0.001 0.000 0.295 483 N C -0.977 174.320 175.510 -0.356 0.000 1.281 483 N CA 0.650 53.413 53.050 -0.478 0.000 1.048 483 N CB 0.032 38.410 38.487 -0.183 0.000 1.455 483 N HN 0.661 nan 8.380 nan 0.000 0.488 484 A N 1.877 124.460 122.820 -0.395 0.000 2.555 484 A HA 0.537 4.856 4.320 -0.001 0.000 0.297 484 A C -1.022 176.308 177.584 -0.423 0.000 1.060 484 A CA -0.683 51.124 52.037 -0.383 0.000 0.710 484 A CB 1.105 19.840 19.000 -0.441 0.000 1.282 484 A HN 0.335 nan 8.150 nan 0.000 0.399 485 S N 0.787 116.254 115.700 -0.388 0.000 2.502 485 S HA 0.699 5.169 4.470 -0.001 0.000 0.304 485 S C -0.959 173.427 174.600 -0.356 0.000 1.097 485 S CA -0.280 57.710 58.200 -0.351 0.000 1.045 485 S CB 0.549 63.600 63.200 -0.248 0.000 1.019 485 S HN 0.463 nan 8.310 nan 0.000 0.481 486 F N 2.848 122.651 119.950 -0.245 0.000 2.472 486 F HA 0.411 4.938 4.527 -0.001 0.000 0.364 486 F C 0.385 176.134 175.800 -0.086 0.000 1.090 486 F CA -0.198 57.687 58.000 -0.192 0.000 1.188 486 F CB 0.161 39.012 39.000 -0.248 0.000 1.105 486 F HN 0.326 nan 8.300 nan 0.000 0.536 487 I N 3.382 124.080 120.570 0.213 0.000 2.608 487 I HA 0.250 4.419 4.170 -0.001 0.000 0.295 487 I C -0.647 175.652 176.117 0.303 0.000 1.049 487 I CA -1.062 60.356 61.300 0.196 0.000 1.063 487 I CB 1.827 39.904 38.000 0.129 0.000 1.248 487 I HN 0.346 nan 8.210 nan 0.000 0.424 488 D N 3.471 124.004 120.400 0.222 0.000 2.304 488 D HA 0.414 5.054 4.640 -0.001 0.000 0.247 488 D C 0.293 176.778 176.300 0.308 0.000 1.089 488 D CA 0.153 54.279 54.000 0.210 0.000 0.910 488 D CB 1.574 42.435 40.800 0.101 0.000 1.199 488 D HN 0.675 nan 8.370 nan 0.000 0.426 489 G N -0.310 108.639 108.800 0.247 0.000 2.671 489 G HA2 0.117 4.076 3.960 -0.001 0.000 0.275 489 G HA3 0.117 4.076 3.960 -0.001 0.000 0.275 489 G C 0.084 175.033 174.900 0.082 0.000 1.368 489 G CA -0.305 44.931 45.100 0.226 0.000 1.044 489 G HN 0.491 nan 8.290 nan 0.000 0.543 490 Y N -0.475 119.765 120.300 -0.100 0.000 2.337 490 Y HA 0.132 4.681 4.550 -0.001 0.000 0.293 490 Y C 2.653 178.447 175.900 -0.177 0.000 1.123 490 Y CA 1.448 59.476 58.100 -0.120 0.000 1.201 490 Y CB 0.250 38.638 38.460 -0.121 0.000 1.011 490 Y HN 0.359 nan 8.280 nan 0.000 0.545 491 R N -0.097 120.180 120.500 -0.372 0.000 2.373 491 R HA 0.185 4.524 4.340 -0.001 0.000 0.221 491 R C -0.291 175.806 176.300 -0.338 0.000 0.893 491 R CA 0.333 56.163 56.100 -0.449 0.000 1.049 491 R CB 0.530 30.611 30.300 -0.364 0.000 1.119 491 R HN 0.387 nan 8.270 nan 0.000 0.535 492 Q N -1.084 118.547 119.800 -0.282 0.000 2.534 492 Q HA 0.523 4.863 4.340 -0.001 0.000 0.290 492 Q C -1.368 174.592 176.000 -0.067 0.000 0.991 492 Q CA -1.008 54.693 55.803 -0.170 0.000 0.783 492 Q CB 0.979 29.637 28.738 -0.133 0.000 1.470 492 Q HN -0.117 nan 8.270 nan 0.000 0.406 493 K N 0.229 120.599 120.400 -0.050 0.000 2.168 493 K HA 0.228 4.547 4.320 -0.001 0.000 0.258 493 K C 0.088 176.695 176.600 0.012 0.000 1.010 493 K CA 0.406 56.680 56.287 -0.021 0.000 0.929 493 K CB -0.483 31.982 32.500 -0.058 0.000 0.998 493 K HN 0.776 nan 8.250 nan 0.000 0.479 494 D N -0.589 119.829 120.400 0.030 0.000 2.701 494 D HA -0.204 4.436 4.640 -0.001 0.000 0.235 494 D C 0.371 176.758 176.300 0.146 0.000 1.155 494 D CA 1.337 55.361 54.000 0.041 0.000 0.649 494 D CB -1.348 39.221 40.800 -0.385 0.000 1.050 494 D HN 0.733 nan 8.370 nan 0.000 0.425 495 Y N -0.368 119.940 120.300 0.013 0.000 2.263 495 Y HA 0.076 4.626 4.550 -0.001 0.000 0.292 495 Y C 0.604 176.345 175.900 -0.264 0.000 1.130 495 Y CA 1.073 59.071 58.100 -0.170 0.000 1.179 495 Y CB 0.270 38.536 38.460 -0.323 0.000 0.998 495 Y HN 0.006 nan 8.280 nan 0.000 0.532 496 F N 0.099 120.099 119.950 0.083 0.000 2.480 496 F HA 0.428 4.955 4.527 -0.001 0.000 0.329 496 F C -0.483 175.284 175.800 -0.054 0.000 1.091 496 F CA -1.127 56.863 58.000 -0.016 0.000 0.972 496 F CB 1.216 40.249 39.000 0.054 0.000 1.150 496 F HN -0.421 nan 8.300 nan 0.000 0.467 497 I N 2.741 123.318 120.570 0.013 0.000 2.312 497 I HA 0.451 4.621 4.170 -0.001 0.000 0.290 497 I C -0.316 175.722 176.117 -0.130 0.000 1.008 497 I CA -0.558 60.590 61.300 -0.253 0.000 1.226 497 I CB 1.186 38.915 38.000 -0.452 0.000 1.371 497 I HN 0.672 nan 8.210 nan 0.000 0.468 498 A N 5.102 127.830 122.820 -0.154 0.000 2.280 498 A HA 0.633 4.953 4.320 -0.001 0.000 0.320 498 A C -0.146 177.346 177.584 -0.153 0.000 1.366 498 A CA -0.315 51.657 52.037 -0.110 0.000 0.938 498 A CB 0.828 19.769 19.000 -0.098 0.000 1.157 498 A HN 0.624 nan 8.150 nan 0.000 0.536 499 T N 1.370 115.862 114.554 -0.104 0.000 2.916 499 T HA 0.510 4.860 4.350 -0.001 0.000 0.292 499 T C -0.004 174.666 174.700 -0.050 0.000 1.064 499 T CA -0.566 61.463 62.100 -0.119 0.000 1.011 499 T CB 1.053 69.834 68.868 -0.144 0.000 1.152 499 T HN 0.848 nan 8.240 nan 0.000 0.510 500 Q N 1.364 121.116 119.800 -0.081 0.000 2.443 500 Q HA 0.476 4.816 4.340 -0.001 0.000 0.232 500 Q C 0.526 176.476 176.000 -0.084 0.000 1.026 500 Q CA -0.722 55.048 55.803 -0.054 0.000 0.924 500 Q CB 0.051 28.749 28.738 -0.067 0.000 1.256 500 Q HN 0.755 nan 8.270 nan 0.000 0.519 501 G N 2.017 110.808 108.800 -0.016 0.000 2.343 501 G HA2 0.313 4.273 3.960 -0.001 0.000 0.254 501 G HA3 0.313 4.273 3.960 -0.001 0.000 0.254 501 G C -2.393 172.394 174.900 -0.189 0.000 1.277 501 G CA -1.007 44.056 45.100 -0.063 0.000 0.909 501 G HN 0.479 nan 8.290 nan 0.000 0.502 502 P HA 0.104 nan 4.420 nan 0.000 0.267 502 P C 0.102 177.322 177.300 -0.133 0.000 1.200 502 P CA -0.083 62.800 63.100 -0.361 0.000 0.772 502 P CB 0.796 32.093 31.700 -0.672 0.000 0.855 503 L N 1.670 122.816 121.223 -0.127 0.000 2.416 503 L HA 0.403 4.742 4.340 -0.001 0.000 0.262 503 L C 1.891 178.567 176.870 -0.324 0.000 1.093 503 L CA -0.565 54.236 54.840 -0.066 0.000 0.801 503 L CB 0.392 42.527 42.059 0.126 0.000 1.191 503 L HN 0.366 nan 8.230 nan 0.000 0.459 504 A N 0.627 123.121 122.820 -0.544 0.000 1.884 504 A HA -0.254 4.065 4.320 -0.001 0.000 0.219 504 A C 1.822 179.131 177.584 -0.458 0.000 1.197 504 A CA 2.193 53.587 52.037 -1.072 0.000 0.637 504 A CB -0.982 17.672 19.000 -0.576 0.000 0.827 504 A HN 0.945 nan 8.150 nan 0.000 0.450 505 H N -0.380 118.487 119.070 -0.340 0.000 2.547 505 H HA 0.149 4.705 4.556 -0.001 0.000 0.274 505 H C 0.785 176.021 175.328 -0.154 0.000 1.024 505 H CA 1.349 57.278 56.048 -0.199 0.000 1.155 505 H CB -1.137 28.552 29.762 -0.121 0.000 1.344 505 H HN 0.474 nan 8.280 nan 0.000 0.598 506 T N -2.645 111.749 114.554 -0.267 0.000 3.275 506 T HA 0.190 4.540 4.350 -0.001 0.000 0.298 506 T C 1.392 175.996 174.700 -0.161 0.000 0.988 506 T CA 0.235 62.189 62.100 -0.243 0.000 0.936 506 T CB -0.604 68.094 68.868 -0.282 0.000 1.159 506 T HN 0.113 nan 8.240 nan 0.000 0.519 507 V N -1.230 118.563 119.914 -0.201 0.000 2.548 507 V HA 0.198 4.317 4.120 -0.001 0.000 0.249 507 V C 2.734 178.876 176.094 0.080 0.000 1.055 507 V CA 1.804 64.038 62.300 -0.111 0.000 1.065 507 V CB -1.718 29.944 31.823 -0.269 0.000 0.681 507 V HN 0.590 nan 8.190 nan 0.000 0.462 508 E N 1.479 121.688 120.200 0.015 0.000 2.038 508 E HA -0.332 4.018 4.350 -0.001 0.000 0.195 508 E C 1.780 178.447 176.600 0.111 0.000 1.000 508 E CA 1.959 58.422 56.400 0.104 0.000 0.803 508 E CB -1.196 28.531 29.700 0.044 0.000 0.750 508 E HN 0.745 nan 8.360 nan 0.000 0.448 509 D N -0.616 119.804 120.400 0.034 0.000 2.116 509 D HA -0.112 4.527 4.640 -0.001 0.000 0.193 509 D C 1.771 178.078 176.300 0.012 0.000 0.998 509 D CA 1.369 55.374 54.000 0.007 0.000 0.836 509 D CB -0.646 40.122 40.800 -0.053 0.000 0.951 509 D HN 0.462 nan 8.370 nan 0.000 0.449 510 F N 0.001 119.848 119.950 -0.171 0.000 2.046 510 F HA -0.188 4.339 4.527 -0.001 0.000 0.297 510 F C 2.100 177.741 175.800 -0.266 0.000 1.123 510 F CA 1.596 59.400 58.000 -0.327 0.000 1.199 510 F CB -0.586 38.094 39.000 -0.534 0.000 0.972 510 F HN -0.021 nan 8.300 nan 0.000 0.474 511 W N 0.434 121.756 121.300 0.037 0.000 2.425 511 W HA -0.037 4.623 4.660 -0.001 0.000 0.277 511 W C 2.637 179.163 176.519 0.011 0.000 1.231 511 W CA 0.932 58.283 57.345 0.010 0.000 1.248 511 W CB -0.391 29.162 29.460 0.155 0.000 1.117 511 W HN -0.132 nan 8.180 nan 0.000 0.568 512 R N -0.031 120.595 120.500 0.211 0.000 2.091 512 R HA -0.212 4.128 4.340 -0.001 0.000 0.238 512 R C 2.271 178.649 176.300 0.129 0.000 1.136 512 R CA 1.925 58.116 56.100 0.152 0.000 0.959 512 R CB -0.665 29.690 30.300 0.091 0.000 0.856 512 R HN 0.250 nan 8.270 nan 0.000 0.437 513 M N 0.439 120.044 119.600 0.007 0.000 2.086 513 M HA -0.178 4.302 4.480 -0.001 0.000 0.261 513 M C 1.759 178.059 176.300 0.000 0.000 1.067 513 M CA 1.623 56.928 55.300 0.008 0.000 1.116 513 M CB 0.016 32.488 32.600 -0.213 0.000 1.348 513 M HN 0.074 nan 8.290 nan 0.000 0.407 514 I N -0.066 120.396 120.570 -0.179 0.000 2.151 514 I HA -0.354 3.815 4.170 -0.001 0.000 0.243 514 I C 2.385 178.525 176.117 0.038 0.000 1.080 514 I CA 1.694 62.911 61.300 -0.138 0.000 1.339 514 I CB -1.679 36.236 38.000 -0.142 0.000 1.039 514 I HN 0.686 nan 8.210 nan 0.000 0.409 515 W N 1.834 123.133 121.300 -0.002 0.000 2.409 515 W HA -0.192 4.468 4.660 -0.001 0.000 0.299 515 W C 2.589 179.069 176.519 -0.065 0.000 1.203 515 W CA 2.299 59.636 57.345 -0.013 0.000 1.298 515 W CB -0.099 29.374 29.460 0.022 0.000 1.127 515 W HN 0.270 nan 8.180 nan 0.000 0.528 516 E N -0.547 119.748 120.200 0.159 0.000 2.204 516 E HA -0.223 4.127 4.350 -0.001 0.000 0.194 516 E C 1.197 177.565 176.600 -0.387 0.000 0.989 516 E CA 1.350 57.704 56.400 -0.077 0.000 0.824 516 E CB -1.309 28.342 29.700 -0.082 0.000 0.756 516 E HN 0.485 nan 8.360 nan 0.000 0.477 517 W N -0.648 120.612 121.300 -0.066 0.000 2.991 517 W HA 0.459 5.118 4.660 -0.001 0.000 0.391 517 W C 0.269 176.691 176.519 -0.163 0.000 1.054 517 W CA -0.375 56.940 57.345 -0.051 0.000 1.856 517 W CB 0.567 30.059 29.460 0.054 0.000 1.132 517 W HN 0.044 nan 8.180 nan 0.000 0.601 518 K N 0.405 120.688 120.400 -0.195 0.000 3.096 518 K HA -0.230 4.089 4.320 -0.001 0.000 0.266 518 K C 0.302 176.560 176.600 -0.571 0.000 1.043 518 K CA 0.688 56.680 56.287 -0.492 0.000 0.758 518 K CB -1.497 30.748 32.500 -0.425 0.000 1.260 518 K HN 0.040 nan 8.250 nan 0.000 0.481 519 S N -0.737 114.745 115.700 -0.362 0.000 2.528 519 S HA 0.214 4.684 4.470 -0.001 0.000 0.277 519 S C 0.577 174.944 174.600 -0.389 0.000 1.297 519 S CA -0.389 57.647 58.200 -0.274 0.000 1.052 519 S CB 0.517 63.622 63.200 -0.159 0.000 0.917 519 S HN 0.395 nan 8.310 nan 0.000 0.492 520 H N 1.968 121.029 119.070 -0.016 0.000 2.755 520 H HA 0.298 4.853 4.556 -0.001 0.000 0.273 520 H C -0.312 175.072 175.328 0.093 0.000 1.055 520 H CA -0.083 55.983 56.048 0.029 0.000 1.191 520 H CB 0.996 30.777 29.762 0.032 0.000 1.536 520 H HN 0.474 nan 8.280 nan 0.000 0.529 521 T N 1.547 116.207 114.554 0.176 0.000 2.949 521 T HA 0.419 4.769 4.350 -0.001 0.000 0.300 521 T C -0.351 174.440 174.700 0.152 0.000 0.988 521 T CA -0.568 61.656 62.100 0.205 0.000 0.993 521 T CB 1.546 70.564 68.868 0.249 0.000 0.984 521 T HN 0.043 nan 8.240 nan 0.000 0.442 522 I N 2.446 123.123 120.570 0.178 0.000 2.437 522 I HA 0.599 4.769 4.170 -0.001 0.000 0.298 522 I C -0.455 175.765 176.117 0.171 0.000 0.984 522 I CA -1.112 60.284 61.300 0.160 0.000 1.214 522 I CB 1.827 39.950 38.000 0.206 0.000 1.365 522 I HN 0.247 nan 8.210 nan 0.000 0.469 523 V N 6.701 126.645 119.914 0.051 0.000 2.409 523 V HA 0.362 4.482 4.120 -0.001 0.000 0.290 523 V C -0.209 175.714 176.094 -0.285 0.000 1.017 523 V CA -0.434 61.800 62.300 -0.110 0.000 0.841 523 V CB 1.599 33.183 31.823 -0.398 0.000 1.003 523 V HN 0.665 nan 8.190 nan 0.000 0.426 524 M N 5.421 124.860 119.600 -0.269 0.000 2.180 524 M HA 0.505 4.985 4.480 -0.001 0.000 0.350 524 M C -0.225 175.938 176.300 -0.229 0.000 1.125 524 M CA -0.345 54.655 55.300 -0.499 0.000 1.031 524 M CB 1.458 33.755 32.600 -0.505 0.000 1.623 524 M HN 0.587 nan 8.290 nan 0.000 0.451 525 L N 2.921 123.989 121.223 -0.257 0.000 2.906 525 L HA 0.210 4.550 4.340 -0.001 0.000 0.255 525 L C 0.528 177.383 176.870 -0.024 0.000 1.166 525 L CA -0.130 54.677 54.840 -0.055 0.000 0.977 525 L CB 0.389 42.336 42.059 -0.187 0.000 1.313 525 L HN 0.680 nan 8.230 nan 0.000 0.549 526 T N -3.978 110.569 114.554 -0.011 0.000 2.841 526 T HA 0.823 5.172 4.350 -0.001 0.000 0.276 526 T C -0.100 174.743 174.700 0.239 0.000 1.003 526 T CA -0.286 61.855 62.100 0.068 0.000 0.995 526 T CB 1.889 70.778 68.868 0.035 0.000 1.260 526 T HN 0.022 nan 8.240 nan 0.000 0.581 527 E N -0.232 120.110 120.200 0.235 0.000 2.243 527 E HA 0.670 5.020 4.350 -0.001 0.000 0.260 527 E C 1.094 177.828 176.600 0.223 0.000 0.985 527 E CA -0.573 56.020 56.400 0.322 0.000 0.858 527 E CB 0.593 30.417 29.700 0.208 0.000 1.210 527 E HN 0.571 nan 8.360 nan 0.000 0.411 528 V N 0.148 120.195 119.914 0.221 0.000 2.220 528 V HA 0.021 4.140 4.120 -0.001 0.000 0.246 528 V C 1.903 178.042 176.094 0.076 0.000 1.049 528 V CA 2.709 65.083 62.300 0.125 0.000 1.003 528 V CB -0.778 31.074 31.823 0.048 0.000 0.634 528 V HN 1.009 nan 8.190 nan 0.000 0.444 529 Q N -0.578 119.256 119.800 0.057 0.000 2.205 529 Q HA 0.702 5.041 4.340 -0.001 0.000 0.249 529 Q C -0.142 175.887 176.000 0.047 0.000 0.948 529 Q CA 0.065 55.891 55.803 0.039 0.000 0.895 529 Q CB 0.920 29.669 28.738 0.020 0.000 1.249 529 Q HN 0.874 nan 8.270 nan 0.000 0.458 530 E N 0.599 120.821 120.200 0.037 0.000 2.406 530 E HA 0.544 4.894 4.350 -0.001 0.000 0.297 530 E C -0.110 176.507 176.600 0.028 0.000 0.917 530 E CA -0.164 56.258 56.400 0.038 0.000 0.795 530 E CB 0.742 30.470 29.700 0.047 0.000 1.285 530 E HN 0.836 nan 8.360 nan 0.000 0.400 531 R N 0.455 120.969 120.500 0.024 0.000 3.610 531 R HA -0.278 4.062 4.340 -0.001 0.000 0.274 531 R C 0.979 177.286 176.300 0.013 0.000 1.123 531 R CA 2.305 58.415 56.100 0.017 0.000 0.747 531 R CB -2.337 27.975 30.300 0.019 0.000 1.149 531 R HN 2.249 nan 8.270 nan 0.000 0.471 532 E N -4.794 115.413 120.200 0.012 0.000 3.181 532 E HA -0.244 4.106 4.350 -0.001 0.000 0.293 532 E C -0.162 176.443 176.600 0.010 0.000 0.936 532 E CA 2.001 58.406 56.400 0.009 0.000 0.975 532 E CB -2.376 27.327 29.700 0.005 0.000 1.496 532 E HN 1.138 nan 8.360 nan 0.000 0.429 533 Q N -0.902 118.906 119.800 0.014 0.000 2.340 533 Q HA 0.657 4.997 4.340 -0.001 0.000 0.268 533 Q C 0.140 176.152 176.000 0.020 0.000 1.031 533 Q CA 0.574 56.386 55.803 0.014 0.000 0.804 533 Q CB 0.579 29.325 28.738 0.013 0.000 1.286 533 Q HN 1.757 nan 8.270 nan 0.000 0.448 534 D N 1.857 122.269 120.400 0.021 0.000 2.349 534 D HA 0.247 4.886 4.640 -0.001 0.000 0.266 534 D C 0.482 176.805 176.300 0.037 0.000 1.293 534 D CA -0.035 53.984 54.000 0.030 0.000 0.926 534 D CB 0.343 41.162 40.800 0.032 0.000 1.090 534 D HN 0.463 nan 8.370 nan 0.000 0.502 535 K N 0.084 120.512 120.400 0.047 0.000 2.348 535 K HA 0.226 4.546 4.320 -0.001 0.000 0.194 535 K C 0.246 176.888 176.600 0.070 0.000 1.052 535 K CA 0.122 56.438 56.287 0.048 0.000 1.004 535 K CB 0.635 33.162 32.500 0.044 0.000 0.873 535 K HN 0.646 nan 8.250 nan 0.000 0.523 536 C N 0.202 119.556 119.300 0.091 0.000 3.146 536 C HA 0.322 4.782 4.460 -0.001 0.000 0.405 536 C C -1.213 173.856 174.990 0.132 0.000 1.012 536 C CA -1.343 57.749 59.018 0.125 0.000 1.217 536 C CB -0.158 27.690 27.740 0.179 0.000 1.599 536 C HN 0.473 nan 8.230 nan 0.000 0.567 537 Y N 3.994 124.297 120.300 0.005 0.000 2.511 537 Y HA 0.324 4.874 4.550 -0.001 0.000 0.332 537 Y C 0.701 176.571 175.900 -0.050 0.000 1.177 537 Y CA 0.782 58.864 58.100 -0.030 0.000 1.422 537 Y CB 0.715 39.153 38.460 -0.037 0.000 1.271 537 Y HN 0.827 nan 8.280 nan 0.000 0.550 538 Q N 5.920 125.308 119.800 -0.687 0.000 2.300 538 Q HA 0.025 4.364 4.340 -0.001 0.000 0.262 538 Q C -0.451 175.177 176.000 -0.620 0.000 1.109 538 Q CA -0.129 55.164 55.803 -0.850 0.000 0.905 538 Q CB 0.123 28.250 28.738 -1.019 0.000 1.280 538 Q HN 0.911 nan 8.270 nan 0.000 0.426 539 Y N 2.554 122.807 120.300 -0.079 0.000 2.510 539 Y HA 0.184 4.733 4.550 -0.001 0.000 0.273 539 Y C -0.169 176.043 175.900 0.520 0.000 1.119 539 Y CA -1.064 57.219 58.100 0.304 0.000 1.286 539 Y CB -0.301 38.247 38.460 0.147 0.000 1.061 539 Y HN 0.514 nan 8.280 nan 0.000 0.542 540 W N 2.465 123.735 121.300 -0.050 0.000 2.516 540 W HA 0.779 5.439 4.660 -0.001 0.000 0.343 540 W C -3.030 173.508 176.519 0.031 0.000 1.094 540 W CA -3.193 54.160 57.345 0.013 0.000 1.250 540 W CB 0.652 30.027 29.460 -0.141 0.000 1.308 540 W HN -0.299 nan 8.180 nan 0.000 0.588 541 P HA 0.225 nan 4.420 nan 0.000 0.288 541 P C 0.108 177.593 177.300 0.307 0.000 1.267 541 P CA -0.210 62.941 63.100 0.085 0.000 0.815 541 P CB 2.299 34.049 31.700 0.084 0.000 0.989 542 T N 0.398 115.041 114.554 0.147 0.000 3.010 542 T HA 0.028 4.377 4.350 -0.001 0.000 0.252 542 T C 1.729 176.526 174.700 0.161 0.000 1.047 542 T CA 1.867 64.103 62.100 0.227 0.000 1.140 542 T CB 0.032 68.978 68.868 0.132 0.000 0.885 542 T HN 0.588 nan 8.240 nan 0.000 0.464 543 E N 0.663 120.922 120.200 0.098 0.000 2.175 543 E HA 0.560 4.909 4.350 -0.001 0.000 0.193 543 E C 1.610 178.249 176.600 0.064 0.000 0.962 543 E CA 0.458 56.898 56.400 0.067 0.000 0.981 543 E CB -1.078 28.643 29.700 0.034 0.000 1.093 543 E HN 0.425 nan 8.360 nan 0.000 0.483 544 G N -0.266 108.561 108.800 0.044 0.000 3.286 544 G HA2 0.515 4.475 3.960 -0.001 0.000 0.173 544 G HA3 0.515 4.475 3.960 -0.001 0.000 0.173 544 G C 0.761 175.683 174.900 0.038 0.000 1.704 544 G CA 0.901 46.019 45.100 0.031 0.000 1.041 544 G HN 1.093 nan 8.290 nan 0.000 0.561 545 S N -1.484 114.217 115.700 0.001 0.000 2.607 545 S HA 0.753 5.223 4.470 -0.001 0.000 0.303 545 S C -0.440 174.111 174.600 -0.081 0.000 1.086 545 S CA -0.281 57.903 58.200 -0.028 0.000 0.995 545 S CB 1.615 64.791 63.200 -0.041 0.000 1.084 545 S HN 1.553 nan 8.310 nan 0.000 0.507 546 V N -2.011 117.805 119.914 -0.162 0.000 2.914 546 V HA 1.018 5.138 4.120 -0.001 0.000 0.314 546 V C -0.067 175.817 176.094 -0.350 0.000 1.084 546 V CA -0.189 61.952 62.300 -0.266 0.000 0.963 546 V CB 0.874 32.471 31.823 -0.378 0.000 1.025 546 V HN 1.298 nan 8.190 nan 0.000 0.432 547 T N 1.165 115.534 114.554 -0.307 0.000 2.893 547 T HA 0.570 4.919 4.350 -0.001 0.000 0.324 547 T C -0.338 174.256 174.700 -0.177 0.000 1.082 547 T CA -0.492 61.462 62.100 -0.243 0.000 0.983 547 T CB -0.012 68.777 68.868 -0.132 0.000 1.005 547 T HN 0.792 nan 8.240 nan 0.000 0.475 548 H N 2.768 121.780 119.070 -0.096 0.000 2.787 548 H HA 0.550 5.106 4.556 -0.001 0.000 0.275 548 H C 1.343 176.665 175.328 -0.010 0.000 1.183 548 H CA 0.323 56.369 56.048 -0.004 0.000 1.290 548 H CB 0.517 30.343 29.762 0.107 0.000 1.438 548 H HN 1.200 nan 8.280 nan 0.000 0.487 549 G N 2.596 111.459 108.800 0.105 0.000 2.523 549 G HA2 -0.416 3.544 3.960 -0.001 0.000 0.271 549 G HA3 -0.416 3.544 3.960 -0.001 0.000 0.271 549 G C 1.005 175.891 174.900 -0.024 0.000 1.146 549 G CA 0.706 45.830 45.100 0.041 0.000 0.961 549 G HN 0.600 nan 8.290 nan 0.000 0.549 550 E N -0.209 119.958 120.200 -0.055 0.000 2.478 550 E HA 0.512 4.861 4.350 -0.001 0.000 0.194 550 E C 1.212 177.688 176.600 -0.206 0.000 1.045 550 E CA 1.168 57.494 56.400 -0.125 0.000 0.868 550 E CB -0.000 29.616 29.700 -0.139 0.000 0.885 550 E HN 0.715 nan 8.360 nan 0.000 0.505 551 I N 1.102 121.565 120.570 -0.179 0.000 2.498 551 I HA 0.460 4.630 4.170 -0.001 0.000 0.301 551 I C -0.061 175.898 176.117 -0.265 0.000 0.984 551 I CA -0.610 60.537 61.300 -0.256 0.000 1.204 551 I CB 1.411 39.319 38.000 -0.155 0.000 1.362 551 I HN -0.099 nan 8.210 nan 0.000 0.471 552 T N 6.012 120.394 114.554 -0.286 0.000 2.841 552 T HA 0.638 4.988 4.350 -0.001 0.000 0.283 552 T C -0.242 174.273 174.700 -0.308 0.000 1.000 552 T CA -0.392 61.544 62.100 -0.273 0.000 0.977 552 T CB 1.869 70.631 68.868 -0.176 0.000 0.979 552 T HN 0.213 nan 8.240 nan 0.000 0.446 553 I N 2.124 122.483 120.570 -0.352 0.000 2.410 553 I HA 0.572 4.742 4.170 -0.001 0.000 0.286 553 I C 0.238 176.311 176.117 -0.074 0.000 1.009 553 I CA -1.114 60.003 61.300 -0.305 0.000 1.111 553 I CB 0.601 38.248 38.000 -0.588 0.000 1.262 553 I HN 0.799 nan 8.210 nan 0.000 0.443 554 E N 5.947 126.186 120.200 0.064 0.000 2.166 554 E HA 0.573 4.922 4.350 -0.001 0.000 0.275 554 E C -0.690 176.081 176.600 0.285 0.000 0.941 554 E CA -0.715 55.762 56.400 0.130 0.000 0.784 554 E CB 2.542 32.286 29.700 0.074 0.000 1.115 554 E HN 0.704 nan 8.360 nan 0.000 0.399 555 I N 2.313 123.055 120.570 0.286 0.000 2.337 555 I HA 0.471 4.641 4.170 -0.001 0.000 0.291 555 I C 1.448 177.581 176.117 0.027 0.000 1.046 555 I CA 0.331 61.748 61.300 0.194 0.000 1.324 555 I CB 0.950 39.084 38.000 0.223 0.000 1.409 555 I HN 0.697 nan 8.210 nan 0.000 0.494 556 K N 4.480 124.846 120.400 -0.056 0.000 2.166 556 K HA 0.250 4.569 4.320 -0.001 0.000 0.201 556 K C 0.627 177.185 176.600 -0.069 0.000 1.052 556 K CA 1.396 57.659 56.287 -0.041 0.000 0.969 556 K CB -1.040 31.444 32.500 -0.027 0.000 0.761 556 K HN 0.828 nan 8.250 nan 0.000 0.459 557 N N -1.390 117.229 118.700 -0.136 0.000 2.494 557 N HA 0.525 5.265 4.740 -0.001 0.000 0.270 557 N C -1.386 174.030 175.510 -0.157 0.000 1.285 557 N CA 0.196 53.179 53.050 -0.113 0.000 0.812 557 N CB 1.450 39.883 38.487 -0.090 0.000 1.557 557 N HN 0.744 nan 8.380 nan 0.000 0.487 558 D N -0.682 119.663 120.400 -0.090 0.000 2.365 558 D HA 0.762 5.402 4.640 -0.001 0.000 0.235 558 D C -0.233 176.050 176.300 -0.029 0.000 1.368 558 D CA 0.427 54.383 54.000 -0.072 0.000 1.001 558 D CB 0.579 41.366 40.800 -0.022 0.000 1.364 558 D HN 1.274 nan 8.370 nan 0.000 0.577 559 T N -0.371 114.165 114.554 -0.030 0.000 2.864 559 T HA 0.744 5.094 4.350 -0.001 0.000 0.310 559 T C 0.595 175.310 174.700 0.026 0.000 1.040 559 T CA -0.059 62.041 62.100 -0.000 0.000 0.977 559 T CB 0.381 69.247 68.868 -0.003 0.000 0.976 559 T HN 1.628 nan 8.240 nan 0.000 0.459 560 L N 2.524 123.771 121.223 0.041 0.000 2.395 560 L HA 0.819 5.159 4.340 -0.001 0.000 0.268 560 L C 1.136 178.047 176.870 0.068 0.000 1.223 560 L CA -0.372 54.508 54.840 0.067 0.000 1.093 560 L CB -1.529 40.565 42.059 0.059 0.000 1.349 560 L HN 1.206 nan 8.230 nan 0.000 0.427 561 S N 1.136 116.884 115.700 0.080 0.000 2.634 561 S HA 0.572 5.041 4.470 -0.001 0.000 0.254 561 S C 0.931 175.588 174.600 0.095 0.000 1.299 561 S CA 0.328 58.579 58.200 0.085 0.000 0.974 561 S CB 0.010 63.271 63.200 0.102 0.000 1.001 561 S HN 1.926 nan 8.310 nan 0.000 0.584 562 E N -0.636 119.618 120.200 0.090 0.000 2.498 562 E HA 0.481 4.830 4.350 -0.001 0.000 0.252 562 E C 1.226 177.900 176.600 0.123 0.000 1.025 562 E CA 0.719 57.173 56.400 0.090 0.000 0.938 562 E CB -1.379 28.369 29.700 0.080 0.000 0.947 562 E HN 2.397 nan 8.360 nan 0.000 0.478 563 A N 1.779 124.665 122.820 0.110 0.000 1.470 563 A HA -0.224 4.096 4.320 -0.001 0.000 0.224 563 A C 0.977 178.629 177.584 0.113 0.000 0.453 563 A CA 1.390 53.486 52.037 0.098 0.000 1.102 563 A CB -2.414 16.680 19.000 0.157 0.000 1.462 563 A HN 1.541 nan 8.150 nan 0.000 0.719 564 I N 0.691 121.375 120.570 0.190 0.000 2.396 564 I HA 0.583 4.752 4.170 -0.001 0.000 0.292 564 I C 0.543 176.732 176.117 0.121 0.000 0.999 564 I CA 0.342 61.745 61.300 0.173 0.000 1.310 564 I CB 0.847 39.035 38.000 0.312 0.000 1.404 564 I HN 0.915 nan 8.210 nan 0.000 0.496 565 S N 6.526 122.248 115.700 0.036 0.000 2.456 565 S HA 0.719 5.188 4.470 -0.001 0.000 0.316 565 S C -0.630 173.990 174.600 0.033 0.000 1.089 565 S CA -0.752 57.501 58.200 0.089 0.000 1.101 565 S CB 1.191 64.511 63.200 0.201 0.000 0.995 565 S HN 0.507 nan 8.310 nan 0.000 0.468 566 I N 3.827 124.390 120.570 -0.011 0.000 2.336 566 I HA 0.489 4.659 4.170 -0.001 0.000 0.292 566 I C 0.369 176.364 176.117 -0.205 0.000 0.991 566 I CA -0.697 60.515 61.300 -0.147 0.000 1.227 566 I CB 1.332 39.255 38.000 -0.129 0.000 1.366 566 I HN 0.568 nan 8.210 nan 0.000 0.466 567 R N 4.799 125.114 120.500 -0.308 0.000 2.686 567 R HA 0.528 4.867 4.340 -0.001 0.000 0.286 567 R C -1.521 174.433 176.300 -0.577 0.000 0.969 567 R CA -0.996 54.836 56.100 -0.446 0.000 0.898 567 R CB 2.339 32.339 30.300 -0.501 0.000 1.183 567 R HN 0.475 nan 8.270 nan 0.000 0.456 568 D N 2.150 122.143 120.400 -0.678 0.000 2.350 568 D HA 0.463 5.103 4.640 -0.001 0.000 0.245 568 D C -0.709 175.189 176.300 -0.669 0.000 1.036 568 D CA -0.108 53.608 54.000 -0.474 0.000 0.848 568 D CB 1.806 42.464 40.800 -0.238 0.000 1.307 568 D HN 0.209 nan 8.370 nan 0.000 0.469 569 F N 0.108 120.109 119.950 0.086 0.000 2.599 569 F HA 0.402 4.928 4.527 -0.001 0.000 0.311 569 F C -0.030 175.826 175.800 0.094 0.000 1.076 569 F CA -1.021 57.043 58.000 0.106 0.000 0.937 569 F CB 1.929 41.035 39.000 0.176 0.000 1.282 569 F HN -0.034 nan 8.300 nan 0.000 0.460 570 L N 3.449 124.831 121.223 0.265 0.000 2.314 570 L HA 0.421 4.761 4.340 -0.001 0.000 0.275 570 L C -0.897 176.069 176.870 0.160 0.000 1.068 570 L CA -0.666 54.281 54.840 0.178 0.000 0.894 570 L CB 0.714 42.840 42.059 0.112 0.000 1.275 570 L HN 0.340 nan 8.230 nan 0.000 0.432 571 V N 2.341 122.382 119.914 0.212 0.000 2.555 571 V HA 0.329 4.449 4.120 -0.001 0.000 0.286 571 V C 0.513 176.764 176.094 0.262 0.000 1.044 571 V CA -0.171 62.243 62.300 0.191 0.000 1.026 571 V CB 1.169 33.202 31.823 0.350 0.000 0.981 571 V HN 0.749 nan 8.190 nan 0.000 0.480 572 T N 3.755 118.344 114.554 0.059 0.000 2.906 572 T HA 0.611 4.961 4.350 -0.001 0.000 0.295 572 T C -0.790 173.695 174.700 -0.358 0.000 1.061 572 T CA -0.682 61.397 62.100 -0.035 0.000 1.000 572 T CB 2.015 70.862 68.868 -0.034 0.000 1.103 572 T HN 0.313 nan 8.240 nan 0.000 0.486 573 L N 2.819 123.716 121.223 -0.544 0.000 2.360 573 L HA 0.509 4.848 4.340 -0.001 0.000 0.265 573 L C 0.589 177.248 176.870 -0.353 0.000 1.066 573 L CA -0.099 54.309 54.840 -0.720 0.000 0.929 573 L CB -0.943 40.395 42.059 -1.202 0.000 1.306 573 L HN 0.991 nan 8.230 nan 0.000 0.434 582 E N 0.823 121.075 120.200 0.087 0.000 2.428 582 E HA 0.138 4.488 4.350 -0.001 0.000 0.199 582 E C 1.589 178.337 176.600 0.246 0.000 1.172 582 E CA 1.112 57.582 56.400 0.116 0.000 0.941 582 E CB -0.609 29.148 29.700 0.094 0.000 1.001 582 E HN 0.650 nan 8.360 nan 0.000 0.501 583 Q N -0.584 119.352 119.800 0.226 0.000 2.360 583 Q HA 0.294 4.633 4.340 -0.001 0.000 0.202 583 Q C -0.012 176.198 176.000 0.350 0.000 0.915 583 Q CA 0.216 56.177 55.803 0.263 0.000 0.943 583 Q CB 0.546 29.352 28.738 0.114 0.000 1.064 583 Q HN 0.428 nan 8.270 nan 0.000 0.511 584 V N 0.130 120.262 119.914 0.363 0.000 2.932 584 V HA 0.564 4.684 4.120 -0.001 0.000 0.307 584 V C -1.722 174.518 176.094 0.244 0.000 1.147 584 V CA -0.739 61.757 62.300 0.327 0.000 0.951 584 V CB 2.138 34.063 31.823 0.169 0.000 1.031 584 V HN 0.145 nan 8.190 nan 0.000 0.426 585 R N 3.548 124.203 120.500 0.258 0.000 2.808 585 R HA 0.768 5.108 4.340 -0.001 0.000 0.272 585 R C -1.731 174.685 176.300 0.193 0.000 0.995 585 R CA -0.828 55.365 56.100 0.154 0.000 0.917 585 R CB 2.629 32.965 30.300 0.059 0.000 1.217 585 R HN 0.534 nan 8.270 nan 0.000 0.471 586 V N 2.662 122.671 119.914 0.158 0.000 2.328 586 V HA 0.292 4.411 4.120 -0.001 0.000 0.278 586 V C -0.151 176.077 176.094 0.223 0.000 1.021 586 V CA -0.709 61.688 62.300 0.162 0.000 0.838 586 V CB 1.410 33.279 31.823 0.076 0.000 0.999 586 V HN 0.413 nan 8.190 nan 0.000 0.447 587 V N 5.322 125.424 119.914 0.312 0.000 2.532 587 V HA 0.590 4.709 4.120 -0.001 0.000 0.295 587 V C 0.080 176.375 176.094 0.335 0.000 1.041 587 V CA -0.745 61.774 62.300 0.365 0.000 0.926 587 V CB 1.973 34.082 31.823 0.478 0.000 0.992 587 V HN 0.886 nan 8.190 nan 0.000 0.457 588 R N 3.301 123.933 120.500 0.219 0.000 2.439 588 R HA 0.430 4.769 4.340 -0.001 0.000 0.310 588 R C -0.641 175.659 176.300 -0.000 0.000 0.955 588 R CA -0.311 55.800 56.100 0.018 0.000 0.853 588 R CB 1.274 31.522 30.300 -0.086 0.000 1.171 588 R HN 0.795 nan 8.270 nan 0.000 0.449 589 Q N 4.754 124.536 119.800 -0.029 0.000 2.314 589 Q HA 0.290 4.629 4.340 -0.001 0.000 0.259 589 Q C -1.343 174.516 176.000 -0.235 0.000 0.951 589 Q CA -0.542 55.263 55.803 0.004 0.000 0.909 589 Q CB 0.797 29.642 28.738 0.178 0.000 1.236 589 Q HN 0.603 nan 8.270 nan 0.000 0.444 590 F N 3.319 123.282 119.950 0.023 0.000 2.313 590 F HA 0.208 4.735 4.527 -0.001 0.000 0.369 590 F C 0.098 175.895 175.800 -0.004 0.000 1.109 590 F CA -0.551 57.456 58.000 0.011 0.000 1.132 590 F CB 0.720 39.727 39.000 0.012 0.000 1.291 590 F HN 0.588 nan 8.300 nan 0.000 0.496 591 H N 4.415 123.468 119.070 -0.028 0.000 2.820 591 H HA 0.182 4.738 4.556 -0.001 0.000 0.278 591 H C -0.768 174.396 175.328 -0.274 0.000 1.142 591 H CA -0.865 55.083 56.048 -0.167 0.000 1.346 591 H CB 0.443 30.055 29.762 -0.250 0.000 1.438 591 H HN 0.472 nan 8.280 nan 0.000 0.473 592 F N 5.500 125.421 119.950 -0.049 0.000 2.438 592 F HA 0.106 4.633 4.527 -0.001 0.000 0.356 592 F C 0.164 175.854 175.800 -0.184 0.000 1.099 592 F CA -0.402 57.530 58.000 -0.113 0.000 1.185 592 F CB 0.641 39.665 39.000 0.040 0.000 1.115 592 F HN 0.673 nan 8.300 nan 0.000 0.526 593 H N 3.831 122.688 119.070 -0.355 0.000 2.652 593 H HA 0.204 4.760 4.556 -0.001 0.000 0.274 593 H C 1.857 176.844 175.328 -0.568 0.000 1.021 593 H CA 0.629 56.459 56.048 -0.364 0.000 1.187 593 H CB 0.159 29.770 29.762 -0.252 0.000 1.505 593 H HN 0.808 nan 8.280 nan 0.000 0.530 594 G N -0.395 107.618 108.800 -1.313 0.000 2.848 594 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.208 594 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.208 594 G C 0.044 174.690 174.900 -0.424 0.000 1.152 594 G CA -0.204 44.320 45.100 -0.961 0.000 0.789 594 G HN 0.225 nan 8.290 nan 0.000 0.531 595 W N 1.755 122.801 121.300 -0.423 0.000 2.349 595 W HA 0.445 5.105 4.660 -0.001 0.000 0.309 595 W C -2.354 174.112 176.519 -0.089 0.000 1.083 595 W CA -2.914 54.366 57.345 -0.108 0.000 1.224 595 W CB 1.417 30.906 29.460 0.048 0.000 1.256 595 W HN -0.049 nan 8.180 nan 0.000 0.461 596 P HA 0.057 nan 4.420 nan 0.000 0.264 596 P C 0.920 178.339 177.300 0.199 0.000 1.183 596 P CA 0.773 63.911 63.100 0.063 0.000 0.763 596 P CB 0.508 32.173 31.700 -0.059 0.000 0.807 597 E N 2.204 122.473 120.200 0.114 0.000 2.097 597 E HA -0.079 4.270 4.350 -0.001 0.000 0.196 597 E C 1.154 177.815 176.600 0.102 0.000 1.000 597 E CA 1.967 58.428 56.400 0.101 0.000 0.804 597 E CB -0.982 28.753 29.700 0.057 0.000 0.740 597 E HN 0.638 nan 8.360 nan 0.000 0.454 598 I N -1.133 119.482 120.570 0.074 0.000 2.406 598 I HA 0.724 4.894 4.170 -0.001 0.000 0.290 598 I C 1.027 177.174 176.117 0.050 0.000 0.999 598 I CA -0.198 61.138 61.300 0.061 0.000 1.124 598 I CB 0.543 38.562 38.000 0.032 0.000 1.289 598 I HN 1.263 nan 8.210 nan 0.000 0.441 599 G N 3.547 112.389 108.800 0.069 0.000 2.582 599 G HA2 0.257 4.217 3.960 -0.001 0.000 0.222 599 G HA3 0.257 4.217 3.960 -0.001 0.000 0.222 599 G C -0.470 174.416 174.900 -0.024 0.000 1.311 599 G CA -0.026 45.085 45.100 0.017 0.000 0.915 599 G HN 2.398 nan 8.290 nan 0.000 0.528 600 I N -1.445 119.012 120.570 -0.189 0.000 2.607 600 I HA 0.727 4.897 4.170 -0.001 0.000 0.305 600 I C -2.136 173.582 176.117 -0.666 0.000 0.995 600 I CA -2.727 58.222 61.300 -0.584 0.000 1.148 600 I CB 1.925 39.599 38.000 -0.542 0.000 1.323 600 I HN 0.414 nan 8.210 nan 0.000 0.461 601 P HA 0.094 nan 4.420 nan 0.000 0.268 601 P C 0.311 177.485 177.300 -0.211 0.000 1.204 601 P CA -0.145 62.613 63.100 -0.569 0.000 0.768 601 P CB 1.259 32.613 31.700 -0.576 0.000 0.842 602 A N 2.805 125.571 122.820 -0.089 0.000 1.930 602 A HA -0.062 4.258 4.320 -0.001 0.000 0.217 602 A C 2.085 179.709 177.584 0.067 0.000 1.175 602 A CA 2.047 54.083 52.037 -0.001 0.000 0.627 602 A CB -1.144 17.846 19.000 -0.016 0.000 0.815 602 A HN 0.566 nan 8.150 nan 0.000 0.443 603 E N -2.522 117.725 120.200 0.078 0.000 2.134 603 E HA 0.337 4.687 4.350 -0.001 0.000 0.194 603 E C 1.862 178.531 176.600 0.115 0.000 0.937 603 E CA 1.123 57.572 56.400 0.082 0.000 0.874 603 E CB -1.340 28.396 29.700 0.059 0.000 0.853 603 E HN 1.931 nan 8.360 nan 0.000 0.471 604 G N -0.553 108.357 108.800 0.183 0.000 2.153 604 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.252 604 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.252 604 G C 1.392 176.351 174.900 0.098 0.000 0.994 604 G CA 1.604 46.808 45.100 0.174 0.000 0.698 604 G HN 1.234 nan 8.290 nan 0.000 0.521 605 K N -0.054 120.407 120.400 0.101 0.000 1.985 605 K HA 0.268 4.587 4.320 -0.001 0.000 0.210 605 K C 3.208 179.888 176.600 0.133 0.000 1.047 605 K CA 2.071 58.412 56.287 0.091 0.000 0.932 605 K CB -1.418 31.126 32.500 0.073 0.000 0.716 605 K HN 1.584 nan 8.250 nan 0.000 0.439 606 G N 0.563 109.478 108.800 0.192 0.000 2.545 606 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.222 606 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.222 606 G C 1.784 176.855 174.900 0.285 0.000 1.126 606 G CA 1.859 47.141 45.100 0.303 0.000 0.754 606 G HN 0.501 nan 8.290 nan 0.000 0.583 607 M N 0.408 120.149 119.600 0.236 0.000 2.077 607 M HA 0.179 4.659 4.480 -0.001 0.000 0.261 607 M C 2.421 178.727 176.300 0.010 0.000 1.070 607 M CA 1.082 56.423 55.300 0.069 0.000 1.125 607 M CB -0.459 32.253 32.600 0.187 0.000 1.339 607 M HN 0.242 nan 8.290 nan 0.000 0.409 608 I N 0.596 121.191 120.570 0.043 0.000 2.118 608 I HA -0.341 3.828 4.170 -0.001 0.000 0.241 608 I C 2.397 178.545 176.117 0.052 0.000 1.070 608 I CA 2.178 63.512 61.300 0.058 0.000 1.327 608 I CB -1.401 36.676 38.000 0.129 0.000 1.034 608 I HN 0.575 nan 8.210 nan 0.000 0.405 609 D N 0.545 120.985 120.400 0.066 0.000 2.178 609 D HA -0.149 4.491 4.640 -0.001 0.000 0.202 609 D C 2.021 178.338 176.300 0.029 0.000 0.974 609 D CA 1.185 55.222 54.000 0.062 0.000 0.841 609 D CB -0.445 40.410 40.800 0.090 0.000 0.953 609 D HN 0.216 nan 8.370 nan 0.000 0.478 610 L N 0.120 121.344 121.223 0.003 0.000 2.005 610 L HA 0.031 4.371 4.340 -0.001 0.000 0.207 610 L C 2.453 179.271 176.870 -0.087 0.000 1.072 610 L CA 1.489 56.285 54.840 -0.073 0.000 0.744 610 L CB -0.555 41.363 42.059 -0.234 0.000 0.895 610 L HN 0.383 nan 8.230 nan 0.000 0.433 611 I N -0.086 120.455 120.570 -0.049 0.000 2.151 611 I HA -0.369 3.801 4.170 -0.001 0.000 0.243 611 I C 2.610 178.687 176.117 -0.068 0.000 1.080 611 I CA 1.440 62.688 61.300 -0.086 0.000 1.339 611 I CB -0.690 37.198 38.000 -0.187 0.000 1.039 611 I HN 0.425 nan 8.210 nan 0.000 0.409 612 A N 0.647 123.445 122.820 -0.036 0.000 1.908 612 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 612 A C 2.559 180.124 177.584 -0.032 0.000 1.181 612 A CA 1.973 54.006 52.037 -0.007 0.000 0.627 612 A CB -0.923 18.095 19.000 0.030 0.000 0.818 612 A HN 0.458 nan 8.150 nan 0.000 0.445 613 A N -0.487 122.285 122.820 -0.080 0.000 1.873 613 A HA -0.094 4.225 4.320 -0.001 0.000 0.218 613 A C 2.254 179.696 177.584 -0.237 0.000 1.193 613 A CA 2.118 54.085 52.037 -0.116 0.000 0.629 613 A CB -1.135 17.770 19.000 -0.158 0.000 0.826 613 A HN 0.478 nan 8.150 nan 0.000 0.447 614 V N -0.212 119.414 119.914 -0.481 0.000 2.343 614 V HA -0.333 3.786 4.120 -0.001 0.000 0.247 614 V C 2.651 178.734 176.094 -0.019 0.000 1.051 614 V CA 2.306 64.392 62.300 -0.357 0.000 1.036 614 V CB -1.009 30.683 31.823 -0.219 0.000 0.654 614 V HN 0.645 nan 8.190 nan 0.000 0.451 615 Q N 0.233 120.032 119.800 -0.001 0.000 2.096 615 Q HA -0.243 4.097 4.340 -0.001 0.000 0.204 615 Q C 2.596 178.635 176.000 0.065 0.000 0.982 615 Q CA 2.506 58.340 55.803 0.051 0.000 0.850 615 Q CB -0.401 28.355 28.738 0.031 0.000 0.901 615 Q HN 0.762 nan 8.270 nan 0.000 0.422 616 K N 0.882 121.317 120.400 0.058 0.000 2.026 616 K HA -0.252 4.068 4.320 -0.001 0.000 0.208 616 K C 1.747 178.410 176.600 0.106 0.000 1.048 616 K CA 1.788 58.120 56.287 0.075 0.000 0.929 616 K CB -0.920 31.625 32.500 0.076 0.000 0.713 616 K HN 0.227 nan 8.250 nan 0.000 0.439 617 Q N 0.153 120.046 119.800 0.156 0.000 2.096 617 Q HA -0.207 4.133 4.340 -0.001 0.000 0.204 617 Q C 2.396 178.493 176.000 0.163 0.000 0.982 617 Q CA 2.436 58.362 55.803 0.206 0.000 0.850 617 Q CB -0.253 28.723 28.738 0.395 0.000 0.901 617 Q HN 0.656 nan 8.270 nan 0.000 0.422 618 Q N -0.489 119.404 119.800 0.155 0.000 2.119 618 Q HA -0.137 4.203 4.340 -0.001 0.000 0.201 618 Q C 2.264 178.327 176.000 0.105 0.000 0.972 618 Q CA 2.543 58.431 55.803 0.142 0.000 0.847 618 Q CB -0.557 28.276 28.738 0.158 0.000 0.903 618 Q HN 0.628 nan 8.270 nan 0.000 0.433 619 Q N 0.287 120.138 119.800 0.086 0.000 2.061 619 Q HA -0.252 4.088 4.340 -0.001 0.000 0.204 619 Q C 1.901 177.929 176.000 0.046 0.000 0.984 619 Q CA 2.086 57.923 55.803 0.055 0.000 0.846 619 Q CB -0.803 27.962 28.738 0.047 0.000 0.902 619 Q HN 0.701 nan 8.270 nan 0.000 0.421 620 Q N -0.690 119.144 119.800 0.056 0.000 2.096 620 Q HA 0.020 4.359 4.340 -0.001 0.000 0.197 620 Q C 2.086 178.105 176.000 0.032 0.000 0.964 620 Q CA 1.415 57.243 55.803 0.042 0.000 0.838 620 Q CB -0.067 28.700 28.738 0.048 0.000 0.906 620 Q HN 0.731 nan 8.270 nan 0.000 0.444 621 T N 0.788 115.372 114.554 0.050 0.000 3.473 621 T HA 0.282 4.632 4.350 -0.001 0.000 0.247 621 T C 0.657 175.406 174.700 0.082 0.000 1.010 621 T CA 0.089 62.204 62.100 0.026 0.000 0.940 621 T CB -0.806 68.094 68.868 0.053 0.000 1.068 621 T HN 0.233 nan 8.240 nan 0.000 0.604 622 G N 1.165 109.989 108.800 0.039 0.000 2.391 622 G HA2 0.315 4.274 3.960 -0.001 0.000 0.234 622 G HA3 0.315 4.274 3.960 -0.001 0.000 0.234 622 G C 0.203 174.995 174.900 -0.179 0.000 1.284 622 G CA -0.418 44.675 45.100 -0.012 0.000 0.873 622 G HN 0.434 nan 8.290 nan 0.000 0.549 623 N N 0.808 119.278 118.700 -0.384 0.000 2.716 623 N HA 0.082 4.821 4.740 -0.001 0.000 0.245 623 N C -0.305 175.129 175.510 -0.127 0.000 1.495 623 N CA -0.418 52.569 53.050 -0.106 0.000 0.759 623 N CB 0.226 38.702 38.487 -0.017 0.000 1.261 623 N HN 0.581 nan 8.380 nan 0.000 0.515 624 H N -0.027 119.086 119.070 0.072 0.000 2.417 624 H HA 0.447 5.003 4.556 -0.001 0.000 0.325 624 H C -2.076 173.143 175.328 -0.182 0.000 1.549 624 H CA -1.083 54.971 56.048 0.010 0.000 1.476 624 H CB 0.284 30.089 29.762 0.070 0.000 1.732 624 H HN 0.310 nan 8.280 nan 0.000 0.695 625 P HA 0.179 nan 4.420 nan 0.000 0.279 625 P C -0.250 176.911 177.300 -0.231 0.000 1.239 625 P CA 0.133 63.101 63.100 -0.220 0.000 0.789 625 P CB 0.745 32.451 31.700 0.010 0.000 0.933 626 I N 1.893 122.238 120.570 -0.374 0.000 2.331 626 I HA 0.197 4.367 4.170 -0.001 0.000 0.292 626 I C 0.630 176.730 176.117 -0.028 0.000 0.998 626 I CA -0.430 60.775 61.300 -0.158 0.000 1.267 626 I CB 0.934 38.852 38.000 -0.136 0.000 1.386 626 I HN 0.129 nan 8.210 nan 0.000 0.476 627 T N 6.121 120.658 114.554 -0.028 0.000 2.761 627 T HA 0.337 4.687 4.350 -0.001 0.000 0.296 627 T C 0.011 174.736 174.700 0.040 0.000 0.934 627 T CA -0.262 61.812 62.100 -0.043 0.000 1.091 627 T CB 0.975 69.760 68.868 -0.139 0.000 0.896 627 T HN 0.255 nan 8.240 nan 0.000 0.515 628 V N 5.367 125.306 119.914 0.042 0.000 2.487 628 V HA 0.602 4.722 4.120 -0.001 0.000 0.298 628 V C -0.475 175.632 176.094 0.021 0.000 1.028 628 V CA -0.875 61.409 62.300 -0.027 0.000 0.860 628 V CB 1.384 33.192 31.823 -0.025 0.000 0.991 628 V HN 1.117 nan 8.190 nan 0.000 0.427 629 H N 2.066 121.068 119.070 -0.114 0.000 3.046 629 H HA 0.726 5.282 4.556 -0.001 0.000 0.363 629 H C -0.110 175.158 175.328 -0.101 0.000 1.203 629 H CA -0.245 55.746 56.048 -0.094 0.000 1.169 629 H CB 1.316 31.043 29.762 -0.059 0.000 1.851 629 H HN 0.617 nan 8.280 nan 0.000 0.546 630 C N 0.725 119.991 119.300 -0.056 0.000 3.155 630 C HA 0.647 5.107 4.460 -0.001 0.000 0.105 630 C C 1.641 176.658 174.990 0.044 0.000 2.551 630 C CA 0.781 59.741 59.018 -0.098 0.000 1.031 630 C CB 0.805 28.446 27.740 -0.165 0.000 1.802 630 C HN 0.790 nan 8.230 nan 0.000 0.588 631 S N -0.318 115.385 115.700 0.004 0.000 3.624 631 S HA 0.388 4.858 4.470 -0.001 0.000 0.244 631 S C 1.815 176.413 174.600 -0.004 0.000 1.115 631 S CA 1.096 59.308 58.200 0.020 0.000 0.820 631 S CB -0.685 62.519 63.200 0.006 0.000 0.964 631 S HN 0.905 nan 8.310 nan 0.000 0.508 632 A N 0.494 123.299 122.820 -0.025 0.000 1.897 632 A HA 0.470 4.790 4.320 -0.001 0.000 0.215 632 A C 1.846 179.409 177.584 -0.035 0.000 1.181 632 A CA 1.804 53.823 52.037 -0.030 0.000 0.620 632 A CB -1.084 17.894 19.000 -0.036 0.000 0.821 632 A HN 1.588 nan 8.150 nan 0.000 0.443 633 G N -3.088 105.688 108.800 -0.040 0.000 2.253 633 G HA2 0.315 4.275 3.960 -0.001 0.000 0.209 633 G HA3 0.315 4.275 3.960 -0.001 0.000 0.209 633 G C 0.213 175.079 174.900 -0.058 0.000 0.997 633 G CA 0.331 45.401 45.100 -0.051 0.000 0.640 633 G HN 1.818 nan 8.290 nan 0.000 0.496 634 A N -1.164 121.631 122.820 -0.042 0.000 2.539 634 A HA 1.049 5.369 4.320 -0.001 0.000 0.296 634 A C 0.849 178.423 177.584 -0.017 0.000 1.073 634 A CA 1.079 53.099 52.037 -0.028 0.000 0.700 634 A CB 1.183 20.179 19.000 -0.007 0.000 1.296 634 A HN 2.108 nan 8.150 nan 0.000 0.405 635 G N 0.817 109.611 108.800 -0.011 0.000 1.828 635 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.128 635 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.128 635 G C 0.994 175.858 174.900 -0.060 0.000 2.299 635 G CA 0.328 45.422 45.100 -0.011 0.000 1.389 635 G HN 0.719 nan 8.290 nan 0.000 0.437 636 R N 0.297 120.670 120.500 -0.212 0.000 2.055 636 R HA 0.136 4.475 4.340 -0.001 0.000 0.228 636 R C 2.781 178.985 176.300 -0.161 0.000 1.143 636 R CA 1.930 57.801 56.100 -0.382 0.000 0.945 636 R CB -0.963 28.903 30.300 -0.722 0.000 0.841 636 R HN 0.429 nan 8.270 nan 0.000 0.429 637 T N 0.401 114.869 114.554 -0.143 0.000 2.653 637 T HA -0.258 4.092 4.350 -0.001 0.000 0.267 637 T C 1.879 176.563 174.700 -0.027 0.000 1.037 637 T CA 1.851 63.905 62.100 -0.077 0.000 1.159 637 T CB -0.793 68.026 68.868 -0.082 0.000 0.859 637 T HN 0.616 nan 8.240 nan 0.000 0.449 638 G N 0.582 109.367 108.800 -0.025 0.000 2.418 638 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.217 638 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.217 638 G C 1.732 176.650 174.900 0.031 0.000 1.158 638 G CA 1.496 46.593 45.100 -0.004 0.000 0.771 638 G HN 0.498 nan 8.290 nan 0.000 0.545 639 T N 0.582 115.194 114.554 0.097 0.000 2.788 639 T HA -0.102 4.247 4.350 -0.001 0.000 0.268 639 T C 1.907 176.683 174.700 0.127 0.000 1.044 639 T CA 1.107 63.315 62.100 0.180 0.000 1.139 639 T CB -0.245 68.853 68.868 0.384 0.000 0.867 639 T HN 0.269 nan 8.240 nan 0.000 0.454 640 F N 1.452 121.388 119.950 -0.025 0.000 2.084 640 F HA 0.031 4.558 4.527 -0.001 0.000 0.296 640 F C 1.961 177.655 175.800 -0.176 0.000 1.111 640 F CA 0.950 58.906 58.000 -0.074 0.000 1.224 640 F CB -0.382 38.556 39.000 -0.105 0.000 0.991 640 F HN 0.041 nan 8.300 nan 0.000 0.471 641 I N 0.473 120.938 120.570 -0.174 0.000 2.127 641 I HA -0.340 3.830 4.170 -0.001 0.000 0.241 641 I C 2.754 178.643 176.117 -0.379 0.000 1.075 641 I CA 1.291 62.253 61.300 -0.564 0.000 1.334 641 I CB -1.044 36.562 38.000 -0.657 0.000 1.040 641 I HN 0.275 nan 8.210 nan 0.000 0.405 642 A N 0.939 123.629 122.820 -0.216 0.000 1.884 642 A HA -0.248 4.071 4.320 -0.001 0.000 0.219 642 A C 2.322 179.780 177.584 -0.211 0.000 1.197 642 A CA 1.905 53.849 52.037 -0.156 0.000 0.637 642 A CB -1.107 17.848 19.000 -0.075 0.000 0.827 642 A HN 0.425 nan 8.150 nan 0.000 0.450 643 L N -0.656 120.417 121.223 -0.250 0.000 2.141 643 L HA -0.140 4.200 4.340 -0.001 0.000 0.209 643 L C 2.886 179.539 176.870 -0.362 0.000 1.094 643 L CA 1.244 55.899 54.840 -0.310 0.000 0.763 643 L CB -0.389 41.494 42.059 -0.293 0.000 0.908 643 L HN 0.388 nan 8.230 nan 0.000 0.437 644 S N 0.182 115.635 115.700 -0.413 0.000 2.351 644 S HA -0.173 4.296 4.470 -0.001 0.000 0.220 644 S C 1.697 176.191 174.600 -0.176 0.000 1.035 644 S CA 1.567 59.587 58.200 -0.299 0.000 1.031 644 S CB -0.363 62.727 63.200 -0.183 0.000 0.928 644 S HN 0.458 nan 8.310 nan 0.000 0.433 645 N N 1.573 120.209 118.700 -0.108 0.000 2.069 645 N HA -0.035 4.704 4.740 -0.001 0.000 0.191 645 N C 1.688 177.071 175.510 -0.212 0.000 1.031 645 N CA 1.169 54.175 53.050 -0.074 0.000 0.852 645 N CB -0.598 37.890 38.487 0.002 0.000 1.018 645 N HN 0.397 nan 8.380 nan 0.000 0.423 646 I N 0.644 121.067 120.570 -0.245 0.000 2.315 646 I HA -0.195 3.975 4.170 -0.001 0.000 0.248 646 I C 2.036 177.921 176.117 -0.387 0.000 1.117 646 I CA 0.745 61.869 61.300 -0.293 0.000 1.404 646 I CB -0.159 37.665 38.000 -0.294 0.000 1.071 646 I HN 0.062 nan 8.210 nan 0.000 0.419 647 L N 0.623 121.576 121.223 -0.450 0.000 2.072 647 L HA -0.164 4.175 4.340 -0.001 0.000 0.205 647 L C 3.182 179.759 176.870 -0.489 0.000 1.079 647 L CA 1.559 56.026 54.840 -0.621 0.000 0.752 647 L CB -1.040 40.572 42.059 -0.744 0.000 0.906 647 L HN 0.317 nan 8.230 nan 0.000 0.436 648 E N 0.720 120.683 120.200 -0.395 0.000 2.085 648 E HA -0.303 4.046 4.350 -0.001 0.000 0.194 648 E C 2.210 178.459 176.600 -0.586 0.000 0.994 648 E CA 1.741 57.927 56.400 -0.357 0.000 0.801 648 E CB -0.618 28.940 29.700 -0.237 0.000 0.743 648 E HN 0.445 nan 8.360 nan 0.000 0.453 649 R N -0.446 119.551 120.500 -0.838 0.000 2.066 649 R HA -0.069 4.271 4.340 -0.001 0.000 0.232 649 R C 2.563 178.626 176.300 -0.395 0.000 1.131 649 R CA 1.434 57.005 56.100 -0.883 0.000 0.955 649 R CB -0.557 29.331 30.300 -0.687 0.000 0.851 649 R HN 0.344 nan 8.270 nan 0.000 0.432 650 V N 1.563 121.288 119.914 -0.316 0.000 2.231 650 V HA -0.329 3.791 4.120 -0.001 0.000 0.248 650 V C 2.886 178.931 176.094 -0.081 0.000 1.054 650 V CA 2.716 64.912 62.300 -0.173 0.000 1.015 650 V CB -1.005 30.705 31.823 -0.188 0.000 0.638 650 V HN 0.630 nan 8.190 nan 0.000 0.444 651 K N 0.003 120.357 120.400 -0.076 0.000 2.015 651 K HA -0.257 4.063 4.320 -0.001 0.000 0.216 651 K C 2.239 178.835 176.600 -0.007 0.000 1.052 651 K CA 2.615 58.918 56.287 0.027 0.000 0.937 651 K CB -1.479 31.052 32.500 0.051 0.000 0.719 651 K HN 0.649 nan 8.250 nan 0.000 0.446 652 A N 1.079 123.863 122.820 -0.060 0.000 1.855 652 A HA -0.129 4.190 4.320 -0.001 0.000 0.215 652 A C 2.175 179.779 177.584 0.032 0.000 1.191 652 A CA 1.898 53.940 52.037 0.008 0.000 0.613 652 A CB -0.137 18.904 19.000 0.068 0.000 0.829 652 A HN 0.703 nan 8.150 nan 0.000 0.442 653 E N -1.999 118.205 120.200 0.007 0.000 2.473 653 E HA 0.310 4.659 4.350 -0.001 0.000 0.204 653 E C 0.821 177.436 176.600 0.025 0.000 0.994 653 E CA 0.219 56.646 56.400 0.045 0.000 0.945 653 E CB 0.252 30.001 29.700 0.083 0.000 0.990 653 E HN 0.712 nan 8.360 nan 0.000 0.493 654 G N 2.225 111.025 108.800 0.000 0.000 2.272 654 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.280 654 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.280 654 G C -0.135 174.770 174.900 0.008 0.000 1.067 654 G CA 0.440 45.545 45.100 0.008 0.000 0.902 654 G HN 0.138 nan 8.290 nan 0.000 0.500 655 L N -1.420 119.797 121.223 -0.009 0.000 2.359 655 L HA 0.908 5.247 4.340 -0.001 0.000 0.256 655 L C -0.247 176.601 176.870 -0.036 0.000 1.026 655 L CA -1.289 53.551 54.840 0.001 0.000 0.828 655 L CB 2.601 44.681 42.059 0.034 0.000 1.406 655 L HN 0.184 nan 8.230 nan 0.000 0.413 656 L N 1.659 122.871 121.223 -0.019 0.000 2.680 656 L HA 0.393 4.732 4.340 -0.001 0.000 0.260 656 L C -1.900 174.961 176.870 -0.016 0.000 0.975 656 L CA -0.134 54.671 54.840 -0.057 0.000 0.920 656 L CB 1.419 43.436 42.059 -0.070 0.000 1.234 656 L HN 0.492 nan 8.230 nan 0.000 0.429 657 D N 3.925 124.319 120.400 -0.010 0.000 2.412 657 D HA 0.216 4.856 4.640 -0.001 0.000 0.276 657 D C 0.931 177.242 176.300 0.018 0.000 1.196 657 D CA -0.232 53.802 54.000 0.058 0.000 0.905 657 D CB 1.664 42.534 40.800 0.117 0.000 1.081 657 D HN 0.304 nan 8.370 nan 0.000 0.502 658 V N 3.012 122.875 119.914 -0.085 0.000 2.392 658 V HA -0.216 3.903 4.120 -0.001 0.000 0.249 658 V C 2.155 178.303 176.094 0.089 0.000 1.059 658 V CA 1.378 63.555 62.300 -0.205 0.000 1.051 658 V CB -0.779 30.572 31.823 -0.786 0.000 0.658 658 V HN 0.502 nan 8.190 nan 0.000 0.455 659 F N 1.037 121.076 119.950 0.148 0.000 2.069 659 F HA -0.209 4.317 4.527 -0.001 0.000 0.298 659 F C 2.584 178.442 175.800 0.097 0.000 1.113 659 F CA 1.943 60.089 58.000 0.243 0.000 1.214 659 F CB -0.303 38.812 39.000 0.191 0.000 0.978 659 F HN 0.080 nan 8.300 nan 0.000 0.474 660 Q N 0.466 120.309 119.800 0.072 0.000 2.224 660 Q HA -0.075 4.265 4.340 -0.001 0.000 0.203 660 Q C 2.463 178.417 176.000 -0.077 0.000 0.970 660 Q CA 1.098 56.866 55.803 -0.059 0.000 0.865 660 Q CB -0.866 27.941 28.738 0.115 0.000 0.922 660 Q HN 0.568 nan 8.270 nan 0.000 0.445 661 A N 0.549 123.349 122.820 -0.034 0.000 1.851 661 A HA -0.168 4.151 4.320 -0.001 0.000 0.216 661 A C 2.369 179.916 177.584 -0.061 0.000 1.195 661 A CA 2.012 54.025 52.037 -0.041 0.000 0.622 661 A CB -0.793 18.170 19.000 -0.062 0.000 0.831 661 A HN 0.220 nan 8.150 nan 0.000 0.444 662 V N 0.132 120.010 119.914 -0.060 0.000 2.548 662 V HA -0.199 3.920 4.120 -0.001 0.000 0.249 662 V C 2.475 178.478 176.094 -0.152 0.000 1.055 662 V CA 2.182 64.457 62.300 -0.040 0.000 1.065 662 V CB -0.715 31.178 31.823 0.117 0.000 0.681 662 V HN 0.667 nan 8.190 nan 0.000 0.462 663 K N 0.788 120.994 120.400 -0.323 0.000 2.057 663 K HA -0.183 4.137 4.320 -0.001 0.000 0.207 663 K C 2.353 178.851 176.600 -0.170 0.000 1.049 663 K CA 1.755 57.825 56.287 -0.363 0.000 0.931 663 K CB -0.359 31.771 32.500 -0.616 0.000 0.714 663 K HN 0.536 nan 8.250 nan 0.000 0.440 664 S N 1.161 116.794 115.700 -0.111 0.000 2.399 664 S HA -0.079 4.390 4.470 -0.001 0.000 0.231 664 S C 1.934 176.531 174.600 -0.004 0.000 1.022 664 S CA 1.085 59.268 58.200 -0.028 0.000 0.983 664 S CB -0.376 62.828 63.200 0.007 0.000 0.803 664 S HN 0.230 nan 8.310 nan 0.000 0.480 665 L N 0.082 121.291 121.223 -0.024 0.000 2.093 665 L HA -0.082 4.258 4.340 -0.001 0.000 0.208 665 L C 2.812 179.688 176.870 0.009 0.000 1.085 665 L CA 0.693 55.528 54.840 -0.009 0.000 0.755 665 L CB -0.233 41.811 42.059 -0.026 0.000 0.904 665 L HN 0.349 nan 8.230 nan 0.000 0.435 666 R N 0.095 120.585 120.500 -0.017 0.000 2.148 666 R HA -0.045 4.295 4.340 -0.001 0.000 0.223 666 R C 2.076 178.434 176.300 0.096 0.000 1.088 666 R CA 0.920 57.020 56.100 0.000 0.000 0.985 666 R CB -0.227 30.031 30.300 -0.070 0.000 0.880 666 R HN 0.402 nan 8.270 nan 0.000 0.451 667 L N 0.395 121.665 121.223 0.078 0.000 2.478 667 L HA -0.081 4.259 4.340 -0.001 0.000 0.223 667 L C 1.978 179.013 176.870 0.276 0.000 1.140 667 L CA 0.948 55.856 54.840 0.112 0.000 0.842 667 L CB -0.147 41.933 42.059 0.035 0.000 0.953 667 L HN 0.181 nan 8.230 nan 0.000 0.452 668 Q N -0.603 119.350 119.800 0.256 0.000 2.373 668 Q HA 0.162 4.501 4.340 -0.001 0.000 0.210 668 Q C 0.586 176.703 176.000 0.196 0.000 0.913 668 Q CA 0.171 56.130 55.803 0.260 0.000 0.911 668 Q CB 0.935 29.749 28.738 0.126 0.000 1.040 668 Q HN 0.227 nan 8.270 nan 0.000 0.521 669 R N 0.938 121.514 120.500 0.126 0.000 2.579 669 R HA 0.249 4.589 4.340 -0.001 0.000 0.260 669 R C -3.012 173.192 176.300 -0.160 0.000 1.103 669 R CA -1.809 54.197 56.100 -0.158 0.000 0.942 669 R CB 1.851 32.062 30.300 -0.149 0.000 1.251 669 R HN -0.160 nan 8.270 nan 0.000 0.450 670 P HA 0.048 nan 4.420 nan 0.000 0.271 670 P C -0.957 176.250 177.300 -0.155 0.000 1.216 670 P CA 0.525 63.448 63.100 -0.296 0.000 0.776 670 P CB 0.330 31.816 31.700 -0.357 0.000 0.881 671 H N 0.430 119.482 119.070 -0.029 0.000 2.770 671 H HA -0.151 4.404 4.556 -0.001 0.000 0.309 671 H C 1.279 176.605 175.328 -0.003 0.000 1.206 671 H CA 0.346 56.388 56.048 -0.011 0.000 1.147 671 H CB -1.490 28.266 29.762 -0.009 0.000 1.422 671 H HN 0.411 nan 8.280 nan 0.000 0.420 672 M N -0.117 119.515 119.600 0.054 0.000 2.218 672 M HA -0.051 4.429 4.480 -0.001 0.000 0.262 672 M C 1.280 177.628 176.300 0.080 0.000 1.081 672 M CA 1.223 56.546 55.300 0.038 0.000 1.100 672 M CB -0.199 32.401 32.600 0.002 0.000 1.258 672 M HN 0.067 nan 8.290 nan 0.000 0.438 673 V N 1.270 121.252 119.914 0.114 0.000 2.405 673 V HA -0.008 4.112 4.120 -0.001 0.000 0.264 673 V C 1.132 177.388 176.094 0.270 0.000 1.048 673 V CA 0.047 62.467 62.300 0.200 0.000 0.966 673 V CB 0.687 32.676 31.823 0.276 0.000 1.015 673 V HN 0.509 nan 8.190 nan 0.000 0.477 674 Q N 3.825 123.772 119.800 0.245 0.000 2.165 674 Q HA 0.008 4.348 4.340 -0.001 0.000 0.197 674 Q C 0.984 177.209 176.000 0.375 0.000 0.952 674 Q CA 1.040 57.000 55.803 0.262 0.000 0.848 674 Q CB 0.450 29.278 28.738 0.149 0.000 0.931 674 Q HN 0.881 nan 8.270 nan 0.000 0.470 675 T N -1.795 112.911 114.554 0.254 0.000 2.888 675 T HA 0.248 4.597 4.350 -0.001 0.000 0.284 675 T C 0.762 175.277 174.700 -0.309 0.000 1.017 675 T CA -0.746 61.397 62.100 0.071 0.000 1.022 675 T CB 1.494 70.396 68.868 0.057 0.000 1.013 675 T HN 0.177 nan 8.240 nan 0.000 0.465 676 L N 1.718 122.397 121.223 -0.908 0.000 2.129 676 L HA -0.118 4.221 4.340 -0.001 0.000 0.212 676 L C 2.533 179.244 176.870 -0.265 0.000 1.087 676 L CA 2.248 56.460 54.840 -1.046 0.000 0.757 676 L CB -1.010 40.587 42.059 -0.771 0.000 0.896 676 L HN 0.949 nan 8.230 nan 0.000 0.434 677 E N -1.447 118.683 120.200 -0.117 0.000 2.077 677 E HA -0.300 4.049 4.350 -0.001 0.000 0.193 677 E C 2.046 178.733 176.600 0.146 0.000 0.989 677 E CA 1.462 57.878 56.400 0.026 0.000 0.800 677 E CB -0.682 29.033 29.700 0.024 0.000 0.746 677 E HN 0.661 nan 8.360 nan 0.000 0.452 678 Q N -0.414 119.498 119.800 0.187 0.000 2.124 678 Q HA -0.187 4.152 4.340 -0.001 0.000 0.202 678 Q C 1.851 178.088 176.000 0.395 0.000 0.977 678 Q CA 1.654 57.660 55.803 0.339 0.000 0.850 678 Q CB -0.218 28.715 28.738 0.326 0.000 0.901 678 Q HN 0.427 nan 8.270 nan 0.000 0.429 679 Y N 0.883 121.295 120.300 0.186 0.000 2.286 679 Y HA -0.168 4.382 4.550 -0.001 0.000 0.293 679 Y C 2.423 178.483 175.900 0.266 0.000 1.124 679 Y CA 1.844 60.082 58.100 0.231 0.000 1.178 679 Y CB -0.209 38.413 38.460 0.269 0.000 1.010 679 Y HN 0.173 nan 8.280 nan 0.000 0.536 680 E N -0.046 120.330 120.200 0.293 0.000 2.150 680 E HA -0.243 4.107 4.350 -0.001 0.000 0.193 680 E C 1.857 178.578 176.600 0.202 0.000 0.985 680 E CA 1.326 57.847 56.400 0.202 0.000 0.814 680 E CB -1.467 28.312 29.700 0.132 0.000 0.752 680 E HN 0.626 nan 8.360 nan 0.000 0.466 681 F N 0.182 120.172 119.950 0.065 0.000 2.293 681 F HA -0.056 4.471 4.527 -0.001 0.000 0.300 681 F C 2.291 178.096 175.800 0.008 0.000 1.086 681 F CA 1.031 59.047 58.000 0.025 0.000 1.375 681 F CB -0.417 38.596 39.000 0.021 0.000 1.045 681 F HN 0.314 nan 8.300 nan 0.000 0.516 682 C N -0.476 118.771 119.300 -0.089 0.000 2.440 682 C HA -0.160 4.299 4.460 -0.001 0.000 0.278 682 C C 2.533 177.313 174.990 -0.350 0.000 1.295 682 C CA 0.794 59.637 59.018 -0.292 0.000 1.738 682 C CB -1.556 26.022 27.740 -0.270 0.000 1.987 682 C HN 0.514 nan 8.230 nan 0.000 0.492 683 Y N 1.795 121.938 120.300 -0.260 0.000 2.200 683 Y HA -0.142 4.407 4.550 -0.001 0.000 0.290 683 Y C 2.686 178.480 175.900 -0.177 0.000 1.137 683 Y CA 2.200 60.180 58.100 -0.200 0.000 1.163 683 Y CB -0.662 37.703 38.460 -0.158 0.000 0.988 683 Y HN 0.319 nan 8.280 nan 0.000 0.518 684 K N 0.152 120.530 120.400 -0.036 0.000 2.063 684 K HA -0.129 4.191 4.320 -0.001 0.000 0.208 684 K C 2.064 178.554 176.600 -0.184 0.000 1.048 684 K CA 1.942 58.179 56.287 -0.083 0.000 0.928 684 K CB -1.531 30.944 32.500 -0.041 0.000 0.713 684 K HN 0.239 nan 8.250 nan 0.000 0.442 685 V N 0.570 120.254 119.914 -0.383 0.000 2.427 685 V HA -0.183 3.937 4.120 -0.001 0.000 0.248 685 V C 2.454 178.447 176.094 -0.169 0.000 1.051 685 V CA 1.470 63.557 62.300 -0.354 0.000 1.048 685 V CB -0.008 31.481 31.823 -0.557 0.000 0.666 685 V HN 0.383 nan 8.190 nan 0.000 0.456 686 V N 0.050 119.849 119.914 -0.192 0.000 2.407 686 V HA -0.304 3.816 4.120 -0.001 0.000 0.248 686 V C 3.038 179.138 176.094 0.010 0.000 1.055 686 V CA 2.535 64.764 62.300 -0.118 0.000 1.049 686 V CB -0.881 30.822 31.823 -0.200 0.000 0.662 686 V HN 0.726 nan 8.190 nan 0.000 0.455 687 Q N -0.388 119.411 119.800 -0.003 0.000 2.079 687 Q HA -0.245 4.095 4.340 -0.001 0.000 0.200 687 Q C 1.913 177.929 176.000 0.027 0.000 0.974 687 Q CA 2.495 58.312 55.803 0.024 0.000 0.840 687 Q CB -1.589 27.160 28.738 0.020 0.000 0.898 687 Q HN 0.838 nan 8.270 nan 0.000 0.430 688 D N -0.882 119.528 120.400 0.016 0.000 2.178 688 D HA -0.023 4.616 4.640 -0.001 0.000 0.202 688 D C 1.723 178.045 176.300 0.037 0.000 0.974 688 D CA 1.181 55.190 54.000 0.015 0.000 0.841 688 D CB -0.459 40.341 40.800 0.001 0.000 0.953 688 D HN 0.616 nan 8.370 nan 0.000 0.478 689 F N 0.413 120.315 119.950 -0.079 0.000 2.146 689 F HA 0.099 4.625 4.527 -0.001 0.000 0.298 689 F C 2.030 177.795 175.800 -0.059 0.000 1.096 689 F CA 0.983 58.938 58.000 -0.075 0.000 1.275 689 F CB -0.004 38.936 39.000 -0.101 0.000 1.008 689 F HN 0.093 nan 8.300 nan 0.000 0.480 690 I N 0.518 121.164 120.570 0.127 0.000 3.241 690 I HA -0.044 4.126 4.170 -0.001 0.000 0.280 690 I C 0.730 176.814 176.117 -0.056 0.000 1.320 690 I CA 0.834 62.149 61.300 0.025 0.000 1.413 690 I CB -1.530 36.515 38.000 0.075 0.000 1.060 690 I HN 0.364 nan 8.210 nan 0.000 0.500 691 D N 0.000 120.353 120.400 -0.078 0.000 6.856 691 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 691 D CA 0.000 53.955 54.000 -0.075 0.000 0.868 691 D CB 0.000 40.778 40.800 -0.037 0.000 0.688 691 D HN 0.000 nan 8.370 nan 0.000 0.683