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 3p26_1_A DATA FIRST_RESID 139 DATA SEQUENCE VQRYYKTTVP TKPKKPHDIS AFVKSALPHL SFVVLGHVDA GKSTLMGRLL DATA SEQUENCE YDLNIVNQSQ LRKLQRXXXX XXXXXXXXXX XXXXXXXXXX RGVTVSICTS DATA SEQUENCE HFSTHRANFT IVDAPGHRDF VPNAIMGISQ ADMAILCVDC STXXXXXXFD DATA SEQUENCE LDGQTKEHML LASSLGIHNL IIAMNKMDNV DWSQQRFEEI KSKLLPYLVD DATA SEQUENCE IGFFEDNINW VPISGFSGEG VYKIEYTDEV RQWYNGPNLM STLENAAFKI DATA SEQUENCE SKENEGINKD DPFLFSVLEI IPXXXTSNDL ALVSGKLESG SIQPGESLTI DATA SEQUENCE YPSEQSCIVD KIQVGSQQXX XXXHEETDVA IKGDFVTLKL RKAYPEDIQN DATA SEQUENCE GDLAASVDYS SIHSAQCFVL ELTTFDMNRP LLPGTPFILF IGVKEQPARI DATA SEQUENCE KRLISFIDKG NTASKKKIRH LGSKQRAFVE IELIEVKRWI PLLTAHENDR DATA SEQUENCE LGRVVLRKDG RTIAAGKISE ITQ 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 139 V HA 0.000 nan 4.120 nan 0.000 0.244 139 V C 0.000 175.862 176.094 -0.387 0.000 1.182 139 V CA 0.000 62.039 62.300 -0.434 0.000 1.235 139 V CB 0.000 31.705 31.823 -0.196 0.000 1.184 140 Q N 1.389 121.045 119.800 -0.239 0.000 2.082 140 Q HA -0.169 4.170 4.340 -0.000 0.000 0.211 140 Q C 0.577 176.464 176.000 -0.187 0.000 1.002 140 Q CA 2.639 58.345 55.803 -0.161 0.000 0.868 140 Q CB 0.113 28.785 28.738 -0.110 0.000 0.931 140 Q HN 0.717 nan 8.270 nan 0.000 0.414 141 R N -1.379 118.964 120.500 -0.261 0.000 2.698 141 R HA 0.389 4.729 4.340 -0.000 0.000 0.275 141 R C -1.512 174.564 176.300 -0.373 0.000 1.001 141 R CA -0.663 55.301 56.100 -0.227 0.000 0.896 141 R CB 1.126 31.358 30.300 -0.112 0.000 1.218 141 R HN 0.055 nan 8.270 nan 0.000 0.462 142 Y N 0.075 120.311 120.300 -0.107 0.000 2.519 142 Y HA 0.216 4.766 4.550 -0.001 0.000 0.324 142 Y C 0.202 176.079 175.900 -0.039 0.000 1.214 142 Y CA -0.837 57.182 58.100 -0.135 0.000 1.260 142 Y CB 0.932 39.294 38.460 -0.164 0.000 1.311 142 Y HN 0.493 nan 8.280 nan 0.000 0.505 143 Y N 2.531 122.891 120.300 0.101 0.000 2.511 143 Y HA 0.232 4.781 4.550 -0.000 0.000 0.332 143 Y C -0.362 175.566 175.900 0.047 0.000 1.177 143 Y CA -0.146 57.991 58.100 0.062 0.000 1.422 143 Y CB 0.341 38.848 38.460 0.077 0.000 1.271 143 Y HN 0.515 nan 8.280 nan 0.000 0.550 144 K N 4.306 124.308 120.400 -0.663 0.000 2.565 144 K HA 0.352 4.671 4.320 -0.000 0.000 0.251 144 K C -1.600 174.687 176.600 -0.521 0.000 0.956 144 K CA -0.601 55.439 56.287 -0.412 0.000 0.809 144 K CB 1.824 34.218 32.500 -0.177 0.000 1.267 144 K HN 0.723 nan 8.250 nan 0.000 0.438 145 T N 0.446 114.818 114.554 -0.303 0.000 2.924 145 T HA 0.390 4.740 4.350 -0.000 0.000 0.291 145 T C 0.254 174.924 174.700 -0.049 0.000 1.045 145 T CA -0.284 61.714 62.100 -0.169 0.000 1.015 145 T CB 1.425 70.260 68.868 -0.056 0.000 1.103 145 T HN 0.680 nan 8.240 nan 0.000 0.496 146 T N 0.044 114.585 114.554 -0.022 0.000 3.182 146 T HA 0.391 4.740 4.350 -0.000 0.000 0.277 146 T C -0.141 174.574 174.700 0.025 0.000 1.013 146 T CA -0.263 61.846 62.100 0.015 0.000 0.900 146 T CB -0.155 68.722 68.868 0.014 0.000 1.098 146 T HN 0.306 nan 8.240 nan 0.000 0.543 147 V N 3.432 123.360 119.914 0.023 0.000 2.347 147 V HA 0.451 4.571 4.120 -0.000 0.000 0.280 147 V C -2.417 173.697 176.094 0.034 0.000 1.021 147 V CA -2.152 60.165 62.300 0.028 0.000 0.847 147 V CB 1.177 33.016 31.823 0.027 0.000 0.990 147 V HN 0.251 nan 8.190 nan 0.000 0.444 148 P HA 0.247 nan 4.420 nan 0.000 0.271 148 P C -0.108 177.197 177.300 0.008 0.000 1.216 148 P CA -0.006 63.105 63.100 0.017 0.000 0.776 148 P CB 0.415 32.123 31.700 0.013 0.000 0.881 149 T N -0.509 114.042 114.554 -0.005 0.000 2.824 149 T HA 0.443 4.792 4.350 -0.000 0.000 0.280 149 T C -0.005 174.677 174.700 -0.031 0.000 0.995 149 T CA -1.110 60.982 62.100 -0.013 0.000 1.009 149 T CB 0.710 69.571 68.868 -0.012 0.000 0.955 149 T HN 0.145 nan 8.240 nan 0.000 0.452 150 K N 2.981 123.365 120.400 -0.026 0.000 2.440 150 K HA 0.257 4.577 4.320 -0.000 0.000 0.270 150 K C -2.415 174.158 176.600 -0.045 0.000 0.980 150 K CA -1.142 55.127 56.287 -0.031 0.000 0.953 150 K CB -0.266 32.221 32.500 -0.021 0.000 0.925 150 K HN 0.426 nan 8.250 nan 0.000 0.497 151 P HA 0.036 nan 4.420 nan 0.000 0.272 151 P C -0.279 177.000 177.300 -0.034 0.000 1.230 151 P CA -0.236 62.833 63.100 -0.052 0.000 0.788 151 P CB 0.633 32.308 31.700 -0.041 0.000 0.949 152 K N 0.960 121.340 120.400 -0.034 0.000 2.148 152 K HA -0.034 4.285 4.320 -0.000 0.000 0.204 152 K C 0.374 176.969 176.600 -0.008 0.000 1.050 152 K CA 1.290 57.563 56.287 -0.023 0.000 0.942 152 K CB 0.037 32.522 32.500 -0.026 0.000 0.724 152 K HN 0.342 nan 8.250 nan 0.000 0.446 153 K N 1.052 121.459 120.400 0.013 0.000 2.920 153 K HA 0.256 4.576 4.320 -0.000 0.000 0.175 153 K C -2.928 173.706 176.600 0.058 0.000 1.099 153 K CA -1.643 54.660 56.287 0.026 0.000 0.939 153 K CB 1.473 34.014 32.500 0.068 0.000 1.148 153 K HN -0.120 nan 8.250 nan 0.000 0.613 154 P HA -0.062 nan 4.420 nan 0.000 0.261 154 P C -0.354 176.950 177.300 0.006 0.000 1.173 154 P CA 0.717 63.829 63.100 0.020 0.000 0.760 154 P CB 0.362 32.056 31.700 -0.010 0.000 0.783 155 H N 1.251 120.289 119.070 -0.053 0.000 2.573 155 H HA 0.173 4.729 4.556 -0.000 0.000 0.351 155 H C -0.191 175.131 175.328 -0.010 0.000 1.163 155 H CA -0.546 55.485 56.048 -0.029 0.000 1.205 155 H CB 1.721 31.444 29.762 -0.065 0.000 1.605 155 H HN 0.390 nan 8.280 nan 0.000 0.525 156 D N 2.802 123.276 120.400 0.123 0.000 2.352 156 D HA 0.032 4.672 4.640 -0.000 0.000 0.245 156 D C 1.140 177.531 176.300 0.152 0.000 1.224 156 D CA -0.020 54.041 54.000 0.101 0.000 0.879 156 D CB 0.323 41.166 40.800 0.072 0.000 1.057 156 D HN 0.469 nan 8.370 nan 0.000 0.491 157 I N 2.236 122.873 120.570 0.111 0.000 2.179 157 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 157 I C 2.393 178.610 176.117 0.167 0.000 1.088 157 I CA 0.567 61.939 61.300 0.121 0.000 1.357 157 I CB -0.099 37.929 38.000 0.047 0.000 1.051 157 I HN 0.322 nan 8.210 nan 0.000 0.409 158 S N 0.815 116.583 115.700 0.113 0.000 2.359 158 S HA -0.293 4.177 4.470 -0.000 0.000 0.223 158 S C 2.283 176.949 174.600 0.110 0.000 1.039 158 S CA 1.671 59.930 58.200 0.098 0.000 1.042 158 S CB -0.574 62.666 63.200 0.067 0.000 0.915 158 S HN 0.572 nan 8.310 nan 0.000 0.439 159 A N 1.014 123.902 122.820 0.113 0.000 1.873 159 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 159 A C 1.950 179.609 177.584 0.124 0.000 1.193 159 A CA 1.978 54.077 52.037 0.102 0.000 0.629 159 A CB -1.077 17.984 19.000 0.101 0.000 0.826 159 A HN 0.532 nan 8.150 nan 0.000 0.447 160 F N 0.802 120.784 119.950 0.053 0.000 2.126 160 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 160 F C 2.186 177.997 175.800 0.019 0.000 1.096 160 F CA 2.083 60.110 58.000 0.045 0.000 1.255 160 F CB -0.300 38.721 39.000 0.035 0.000 0.997 160 F HN 0.046 nan 8.300 nan 0.000 0.479 161 V N 1.002 121.025 119.914 0.181 0.000 2.233 161 V HA -0.359 3.761 4.120 -0.000 0.000 0.247 161 V C 2.361 178.422 176.094 -0.057 0.000 1.050 161 V CA 2.472 64.807 62.300 0.058 0.000 1.010 161 V CB -0.890 31.004 31.823 0.118 0.000 0.637 161 V HN 0.289 nan 8.190 nan 0.000 0.444 162 K N 0.163 120.559 120.400 -0.008 0.000 2.160 162 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 162 K C 2.394 178.963 176.600 -0.051 0.000 1.047 162 K CA 1.724 58.007 56.287 -0.008 0.000 0.930 162 K CB -0.360 32.150 32.500 0.017 0.000 0.720 162 K HN 0.442 nan 8.250 nan 0.000 0.450 163 S N 0.059 115.689 115.700 -0.116 0.000 2.461 163 S HA 0.067 4.537 4.470 -0.000 0.000 0.228 163 S C 0.537 175.010 174.600 -0.213 0.000 1.005 163 S CA 0.176 58.287 58.200 -0.148 0.000 0.942 163 S CB 0.070 63.172 63.200 -0.163 0.000 0.776 163 S HN 0.300 nan 8.310 nan 0.000 0.514 164 A N 0.900 123.538 122.820 -0.303 0.000 2.295 164 A HA 0.649 4.969 4.320 -0.000 0.000 0.318 164 A C -0.223 177.256 177.584 -0.176 0.000 1.134 164 A CA -0.683 51.164 52.037 -0.316 0.000 0.827 164 A CB 0.369 19.061 19.000 -0.514 0.000 1.136 164 A HN 0.480 nan 8.150 nan 0.000 0.493 165 L N 2.947 124.076 121.223 -0.157 0.000 2.514 165 L HA 0.148 4.488 4.340 -0.000 0.000 0.280 165 L C -1.474 175.260 176.870 -0.228 0.000 1.223 165 L CA -1.008 53.730 54.840 -0.170 0.000 0.864 165 L CB 0.197 42.163 42.059 -0.154 0.000 1.118 165 L HN 0.562 nan 8.230 nan 0.000 0.494 166 P HA 0.037 nan 4.420 nan 0.000 0.270 166 P C -1.309 175.770 177.300 -0.368 0.000 1.223 166 P CA 0.011 62.853 63.100 -0.430 0.000 0.785 166 P CB 0.758 31.920 31.700 -0.896 0.000 0.923 167 H N 0.710 119.573 119.070 -0.346 0.000 2.768 167 H HA 0.714 5.270 4.556 -0.001 0.000 0.371 167 H C -1.710 173.464 175.328 -0.256 0.000 1.151 167 H CA -0.901 54.946 56.048 -0.336 0.000 1.165 167 H CB 1.359 31.021 29.762 -0.166 0.000 1.722 167 H HN 0.306 nan 8.280 nan 0.000 0.543 168 L N 3.442 123.992 121.223 -1.122 0.000 2.493 168 L HA 0.552 4.892 4.340 -0.000 0.000 0.265 168 L C -1.257 175.334 176.870 -0.465 0.000 0.954 168 L CA -0.224 54.307 54.840 -0.515 0.000 0.844 168 L CB 2.093 44.068 42.059 -0.139 0.000 1.302 168 L HN 0.814 nan 8.230 nan 0.000 0.405 169 S N 3.184 118.831 115.700 -0.089 0.000 2.578 169 S HA 0.940 5.410 4.470 -0.000 0.000 0.301 169 S C -0.652 174.043 174.600 0.158 0.000 1.091 169 S CA -0.480 57.718 58.200 -0.003 0.000 1.032 169 S CB 1.553 64.859 63.200 0.177 0.000 1.064 169 S HN 0.789 nan 8.310 nan 0.000 0.508 170 F N -0.887 119.058 119.950 -0.009 0.000 2.713 170 F HA 0.835 5.362 4.527 -0.001 0.000 0.311 170 F C -1.371 174.421 175.800 -0.013 0.000 1.141 170 F CA -1.351 56.653 58.000 0.005 0.000 0.939 170 F CB 0.931 39.936 39.000 0.008 0.000 1.325 170 F HN 0.619 nan 8.300 nan 0.000 0.453 171 V N 1.723 121.766 119.914 0.214 0.000 2.815 171 V HA 0.822 4.942 4.120 -0.000 0.000 0.314 171 V C -1.358 174.852 176.094 0.194 0.000 1.064 171 V CA -0.891 61.465 62.300 0.094 0.000 0.952 171 V CB 2.257 34.102 31.823 0.037 0.000 1.020 171 V HN 0.809 nan 8.190 nan 0.000 0.439 172 V N 6.888 126.866 119.914 0.106 0.000 2.370 172 V HA 0.517 4.637 4.120 -0.000 0.000 0.283 172 V C -0.124 175.968 176.094 -0.005 0.000 1.023 172 V CA -0.403 61.947 62.300 0.083 0.000 0.857 172 V CB 1.184 33.064 31.823 0.095 0.000 0.985 172 V HN 0.666 nan 8.190 nan 0.000 0.443 173 L N 3.862 125.077 121.223 -0.013 0.000 2.319 173 L HA 1.053 5.393 4.340 -0.000 0.000 0.267 173 L C 0.502 177.368 176.870 -0.007 0.000 1.011 173 L CA -0.471 54.345 54.840 -0.040 0.000 0.818 173 L CB 2.148 44.201 42.059 -0.011 0.000 1.316 173 L HN 0.879 nan 8.230 nan 0.000 0.432 174 G N -0.554 108.258 108.800 0.020 0.000 2.326 174 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.413 174 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.413 174 G C -1.551 173.400 174.900 0.085 0.000 1.444 174 G CA -0.899 44.240 45.100 0.065 0.000 1.002 174 G HN 0.663 nan 8.290 nan 0.000 0.649 175 H N 0.166 119.244 119.070 0.014 0.000 2.852 175 H HA 0.239 4.794 4.556 -0.000 0.000 0.362 175 H C 2.194 177.510 175.328 -0.021 0.000 1.122 175 H CA 0.918 56.962 56.048 -0.006 0.000 1.419 175 H CB 1.529 31.280 29.762 -0.018 0.000 1.401 175 H HN 0.910 nan 8.280 nan 0.000 0.609 176 V N 0.965 121.113 119.914 0.390 0.000 2.490 176 V HA -0.164 3.955 4.120 -0.000 0.000 0.250 176 V C 1.296 177.474 176.094 0.141 0.000 1.061 176 V CA 1.940 64.364 62.300 0.207 0.000 1.064 176 V CB -0.235 31.669 31.823 0.136 0.000 0.670 176 V HN 0.545 nan 8.190 nan 0.000 0.461 177 D N 1.114 121.581 120.400 0.112 0.000 2.363 177 D HA 0.199 4.838 4.640 -0.000 0.000 0.226 177 D C 1.971 178.215 176.300 -0.092 0.000 1.020 177 D CA 1.163 55.099 54.000 -0.107 0.000 0.892 177 D CB 0.141 40.744 40.800 -0.328 0.000 0.900 177 D HN 0.600 nan 8.370 nan 0.000 0.531 178 A N -0.161 122.646 122.820 -0.021 0.000 2.123 178 A HA 0.388 4.708 4.320 -0.000 0.000 0.214 178 A C 1.874 179.423 177.584 -0.058 0.000 1.152 178 A CA 1.030 53.055 52.037 -0.020 0.000 0.728 178 A CB -0.088 18.937 19.000 0.042 0.000 0.814 178 A HN 0.245 nan 8.150 nan 0.000 0.464 179 G N -0.607 108.155 108.800 -0.065 0.000 2.141 179 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.231 179 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.231 179 G C 0.856 175.707 174.900 -0.081 0.000 0.984 179 G CA 0.656 45.691 45.100 -0.107 0.000 0.660 179 G HN 0.471 nan 8.290 nan 0.000 0.525 180 K N 0.819 121.192 120.400 -0.045 0.000 2.052 180 K HA -0.230 4.090 4.320 -0.000 0.000 0.215 180 K C 2.912 179.488 176.600 -0.040 0.000 1.053 180 K CA 2.323 58.589 56.287 -0.034 0.000 0.934 180 K CB -0.373 32.115 32.500 -0.020 0.000 0.717 180 K HN 0.713 nan 8.250 nan 0.000 0.450 181 S N 0.447 116.122 115.700 -0.042 0.000 2.383 181 S HA -0.152 4.318 4.470 -0.000 0.000 0.227 181 S C 2.273 176.841 174.600 -0.052 0.000 1.026 181 S CA 1.692 59.868 58.200 -0.041 0.000 0.981 181 S CB -0.861 62.317 63.200 -0.036 0.000 0.818 181 S HN 0.507 nan 8.310 nan 0.000 0.472 182 T N 0.664 115.173 114.554 -0.075 0.000 2.857 182 T HA 0.050 4.400 4.350 -0.000 0.000 0.266 182 T C 1.772 176.419 174.700 -0.088 0.000 1.048 182 T CA 0.982 63.026 62.100 -0.094 0.000 1.139 182 T CB -0.732 68.047 68.868 -0.148 0.000 0.874 182 T HN 0.263 nan 8.240 nan 0.000 0.455 183 L N 0.349 121.520 121.223 -0.088 0.000 2.017 183 L HA 0.078 4.418 4.340 -0.000 0.000 0.208 183 L C 2.457 179.300 176.870 -0.044 0.000 1.073 183 L CA 1.855 56.654 54.840 -0.068 0.000 0.745 183 L CB -0.817 41.203 42.059 -0.066 0.000 0.894 183 L HN 0.148 nan 8.230 nan 0.000 0.432 184 M N -0.218 119.361 119.600 -0.035 0.000 2.117 184 M HA -0.075 4.404 4.480 -0.000 0.000 0.262 184 M C 2.259 178.540 176.300 -0.030 0.000 1.065 184 M CA 1.596 56.881 55.300 -0.025 0.000 1.114 184 M CB -2.112 30.479 32.600 -0.015 0.000 1.361 184 M HN 0.448 nan 8.290 nan 0.000 0.408 185 G N -0.201 108.583 108.800 -0.027 0.000 2.480 185 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.216 185 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.216 185 G C 1.659 176.572 174.900 0.023 0.000 1.200 185 G CA 1.426 46.519 45.100 -0.012 0.000 0.782 185 G HN 0.347 nan 8.290 nan 0.000 0.554 186 R N 0.284 120.786 120.500 0.002 0.000 2.113 186 R HA -0.099 4.241 4.340 -0.000 0.000 0.244 186 R C 2.424 178.781 176.300 0.095 0.000 1.142 186 R CA 1.793 57.924 56.100 0.052 0.000 0.953 186 R CB -1.142 29.165 30.300 0.011 0.000 0.860 186 R HN 0.366 nan 8.270 nan 0.000 0.438 187 L N 0.034 121.266 121.223 0.014 0.000 2.017 187 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 187 L C 2.131 178.949 176.870 -0.086 0.000 1.073 187 L CA 1.788 56.603 54.840 -0.042 0.000 0.745 187 L CB -0.444 41.537 42.059 -0.131 0.000 0.894 187 L HN 0.319 nan 8.230 nan 0.000 0.432 188 L N -2.007 119.161 121.223 -0.092 0.000 2.141 188 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 188 L C 2.474 179.344 176.870 0.001 0.000 1.094 188 L CA 1.215 55.994 54.840 -0.102 0.000 0.763 188 L CB -0.795 41.223 42.059 -0.068 0.000 0.908 188 L HN 0.360 nan 8.230 nan 0.000 0.437 189 Y N 1.530 121.797 120.300 -0.055 0.000 2.114 189 Y HA -0.304 4.246 4.550 -0.001 0.000 0.284 189 Y C 2.054 177.938 175.900 -0.027 0.000 1.143 189 Y CA 1.963 60.043 58.100 -0.033 0.000 1.135 189 Y CB -0.267 38.176 38.460 -0.028 0.000 0.980 189 Y HN 0.191 nan 8.280 nan 0.000 0.499 190 D N 0.087 120.470 120.400 -0.027 0.000 2.263 190 D HA -0.132 4.508 4.640 -0.000 0.000 0.208 190 D C 1.714 177.959 176.300 -0.093 0.000 0.971 190 D CA 1.238 55.160 54.000 -0.129 0.000 0.867 190 D CB -0.231 40.578 40.800 0.014 0.000 0.929 190 D HN 0.408 nan 8.370 nan 0.000 0.492 191 L N -0.146 121.065 121.223 -0.020 0.000 2.591 191 L HA 0.078 4.418 4.340 -0.000 0.000 0.228 191 L C 0.123 176.974 176.870 -0.032 0.000 1.133 191 L CA -0.042 54.813 54.840 0.026 0.000 0.880 191 L CB -0.190 41.835 42.059 -0.057 0.000 1.033 191 L HN -0.052 nan 8.230 nan 0.000 0.450 192 N N -0.710 117.912 118.700 -0.131 0.000 2.714 192 N HA -0.243 4.497 4.740 -0.000 0.000 0.250 192 N C 0.663 176.144 175.510 -0.049 0.000 1.117 192 N CA 0.835 53.804 53.050 -0.134 0.000 0.719 192 N CB -1.420 37.003 38.487 -0.107 0.000 1.081 192 N HN 0.365 nan 8.380 nan 0.000 0.557 193 I N -1.573 118.980 120.570 -0.028 0.000 3.265 193 I HA 0.038 4.208 4.170 -0.000 0.000 0.282 193 I C 0.376 176.504 176.117 0.019 0.000 1.207 193 I CA 0.497 61.801 61.300 0.007 0.000 1.449 193 I CB 0.444 38.449 38.000 0.009 0.000 1.121 193 I HN -0.097 nan 8.210 nan 0.000 0.442 194 V N 1.355 121.287 119.914 0.030 0.000 2.459 194 V HA 0.191 4.311 4.120 -0.000 0.000 0.295 194 V C -0.042 176.133 176.094 0.137 0.000 1.029 194 V CA -0.739 61.608 62.300 0.080 0.000 0.874 194 V CB 1.601 33.486 31.823 0.102 0.000 0.985 194 V HN 0.220 nan 8.190 nan 0.000 0.438 195 N N 2.330 121.099 118.700 0.114 0.000 2.237 195 N HA -0.067 4.673 4.740 -0.000 0.000 0.222 195 N C 1.147 176.802 175.510 0.241 0.000 1.311 195 N CA 0.740 53.868 53.050 0.130 0.000 0.880 195 N CB 0.356 38.889 38.487 0.078 0.000 1.106 195 N HN 0.803 nan 8.380 nan 0.000 0.435 196 Q N 0.211 120.147 119.800 0.228 0.000 2.187 196 Q HA -0.114 4.225 4.340 -0.000 0.000 0.199 196 Q C 1.587 177.614 176.000 0.045 0.000 0.957 196 Q CA 1.355 57.275 55.803 0.195 0.000 0.857 196 Q CB -0.012 28.838 28.738 0.187 0.000 0.929 196 Q HN 0.772 nan 8.270 nan 0.000 0.453 197 S N -0.077 115.652 115.700 0.049 0.000 2.357 197 S HA -0.193 4.277 4.470 -0.000 0.000 0.221 197 S C 1.886 176.492 174.600 0.010 0.000 1.031 197 S CA 1.024 59.236 58.200 0.020 0.000 0.982 197 S CB -0.444 62.770 63.200 0.023 0.000 0.853 197 S HN 0.481 nan 8.310 nan 0.000 0.458 198 Q N 0.522 120.338 119.800 0.026 0.000 2.096 198 Q HA -0.157 4.183 4.340 -0.000 0.000 0.208 198 Q C 2.245 178.244 176.000 -0.001 0.000 0.993 198 Q CA 1.759 57.574 55.803 0.020 0.000 0.862 198 Q CB -0.541 28.220 28.738 0.039 0.000 0.915 198 Q HN 0.524 nan 8.270 nan 0.000 0.416 199 L N 0.806 122.019 121.223 -0.017 0.000 2.046 199 L HA -0.171 4.168 4.340 -0.000 0.000 0.208 199 L C 2.186 179.004 176.870 -0.088 0.000 1.077 199 L CA 1.734 56.522 54.840 -0.087 0.000 0.747 199 L CB -0.241 41.662 42.059 -0.259 0.000 0.896 199 L HN 0.048 nan 8.230 nan 0.000 0.432 200 R N -0.539 119.918 120.500 -0.072 0.000 2.092 200 R HA -0.103 4.236 4.340 -0.000 0.000 0.231 200 R C 2.234 178.518 176.300 -0.028 0.000 1.119 200 R CA 1.234 57.303 56.100 -0.051 0.000 0.970 200 R CB -0.230 30.047 30.300 -0.039 0.000 0.864 200 R HN 0.417 nan 8.270 nan 0.000 0.440 201 K N 0.733 121.122 120.400 -0.019 0.000 2.057 201 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 201 K C 2.091 178.683 176.600 -0.013 0.000 1.049 201 K CA 1.070 57.350 56.287 -0.011 0.000 0.931 201 K CB -0.165 32.332 32.500 -0.006 0.000 0.714 201 K HN 0.195 nan 8.250 nan 0.000 0.440 202 L N 1.064 122.274 121.223 -0.020 0.000 2.362 202 L HA -0.153 4.187 4.340 -0.000 0.000 0.219 202 L C 1.080 177.936 176.870 -0.025 0.000 1.134 202 L CA 0.861 55.687 54.840 -0.023 0.000 0.807 202 L CB -0.281 41.760 42.059 -0.029 0.000 0.927 202 L HN 0.202 nan 8.230 nan 0.000 0.447 203 Q N 1.334 121.120 119.800 -0.023 0.000 2.945 203 Q HA 0.068 4.408 4.340 -0.000 0.000 0.323 203 Q C 0.117 176.123 176.000 0.010 0.000 1.188 203 Q CA -0.121 55.677 55.803 -0.008 0.000 0.929 203 Q CB -0.005 28.732 28.738 -0.003 0.000 1.531 203 Q HN 0.481 nan 8.270 nan 0.000 0.444 230 G N 0.854 109.676 108.800 0.038 0.000 2.486 230 G HA2 0.296 4.255 3.960 -0.000 0.000 0.272 230 G HA3 0.296 4.255 3.960 -0.000 0.000 0.272 230 G C 1.122 176.042 174.900 0.034 0.000 1.426 230 G CA -0.092 45.031 45.100 0.039 0.000 1.058 230 G HN 0.644 nan 8.290 nan 0.000 0.531 231 V N -1.863 118.072 119.914 0.034 0.000 2.244 231 V HA 0.160 4.280 4.120 -0.000 0.000 0.244 231 V C 1.337 177.448 176.094 0.029 0.000 1.042 231 V CA 2.088 64.406 62.300 0.030 0.000 1.006 231 V CB -1.354 30.487 31.823 0.030 0.000 0.641 231 V HN 1.036 nan 8.190 nan 0.000 0.446 232 T N -1.902 112.671 114.554 0.032 0.000 2.906 232 T HA 0.732 5.082 4.350 -0.000 0.000 0.295 232 T C -0.934 173.788 174.700 0.036 0.000 1.075 232 T CA -0.501 61.618 62.100 0.031 0.000 1.005 232 T CB 1.952 70.836 68.868 0.027 0.000 1.136 232 T HN 0.347 nan 8.240 nan 0.000 0.498 233 V N 2.800 122.736 119.914 0.037 0.000 2.417 233 V HA 0.432 4.552 4.120 -0.000 0.000 0.291 233 V C 0.783 176.904 176.094 0.045 0.000 1.024 233 V CA -0.400 61.925 62.300 0.042 0.000 0.861 233 V CB 1.279 33.127 31.823 0.042 0.000 0.985 233 V HN 1.128 nan 8.190 nan 0.000 0.436 234 S N 4.133 119.862 115.700 0.048 0.000 2.438 234 S HA 0.379 4.849 4.470 -0.000 0.000 0.220 234 S C 0.532 175.166 174.600 0.057 0.000 1.045 234 S CA 0.534 58.765 58.200 0.052 0.000 0.940 234 S CB 0.203 63.431 63.200 0.048 0.000 0.863 234 S HN 0.764 nan 8.310 nan 0.000 0.539 235 I N -1.463 119.140 120.570 0.055 0.000 2.892 235 I HA 0.656 4.825 4.170 -0.000 0.000 0.306 235 I C -1.365 174.766 176.117 0.023 0.000 1.078 235 I CA -1.103 60.224 61.300 0.045 0.000 1.032 235 I CB 1.923 39.955 38.000 0.054 0.000 1.229 235 I HN 0.002 nan 8.210 nan 0.000 0.435 236 C N 2.464 121.760 119.300 -0.007 0.000 2.355 236 C HA 0.829 5.289 4.460 -0.000 0.000 0.332 236 C C 0.566 175.488 174.990 -0.112 0.000 1.255 236 C CA -0.081 58.914 59.018 -0.038 0.000 1.792 236 C CB 0.922 28.644 27.740 -0.030 0.000 2.300 236 C HN 0.922 nan 8.230 nan 0.000 0.515 237 T N 0.188 114.647 114.554 -0.159 0.000 2.916 237 T HA 0.812 5.162 4.350 -0.000 0.000 0.292 237 T C -0.716 173.788 174.700 -0.328 0.000 1.064 237 T CA -0.524 61.374 62.100 -0.336 0.000 1.011 237 T CB 1.628 70.191 68.868 -0.509 0.000 1.152 237 T HN 0.553 nan 8.240 nan 0.000 0.510 238 S N 0.834 116.261 115.700 -0.456 0.000 2.614 238 S HA 0.421 4.890 4.470 -0.000 0.000 0.275 238 S C -1.373 173.006 174.600 -0.369 0.000 1.161 238 S CA -0.856 57.172 58.200 -0.286 0.000 0.969 238 S CB 0.729 63.871 63.200 -0.097 0.000 1.059 238 S HN 0.743 nan 8.310 nan 0.000 0.482 239 H N 3.144 122.209 119.070 -0.007 0.000 2.581 239 H HA 0.461 5.016 4.556 -0.001 0.000 0.308 239 H C -0.527 174.863 175.328 0.104 0.000 1.040 239 H CA -0.312 55.723 56.048 -0.022 0.000 1.231 239 H CB 0.575 30.323 29.762 -0.023 0.000 1.396 239 H HN 0.645 nan 8.280 nan 0.000 0.467 240 F N 0.630 120.673 119.950 0.155 0.000 2.639 240 F HA 0.740 5.267 4.527 -0.000 0.000 0.339 240 F C -0.320 175.610 175.800 0.216 0.000 1.071 240 F CA -1.113 56.980 58.000 0.155 0.000 0.994 240 F CB 1.881 40.948 39.000 0.111 0.000 1.341 240 F HN 0.340 nan 8.300 nan 0.000 0.498 241 S N -0.471 115.512 115.700 0.472 0.000 2.579 241 S HA 0.776 5.246 4.470 -0.000 0.000 0.272 241 S C -0.869 173.962 174.600 0.385 0.000 1.141 241 S CA 0.046 58.437 58.200 0.319 0.000 0.843 241 S CB 1.628 64.922 63.200 0.158 0.000 1.122 241 S HN 1.269 nan 8.310 nan 0.000 0.468 242 T N -0.472 114.246 114.554 0.275 0.000 2.773 242 T HA 0.465 4.815 4.350 -0.000 0.000 0.278 242 T C 1.482 176.256 174.700 0.124 0.000 1.011 242 T CA -0.286 61.941 62.100 0.212 0.000 1.014 242 T CB 0.265 69.136 68.868 0.005 0.000 1.293 242 T HN 0.845 nan 8.240 nan 0.000 0.554 243 H N 1.122 120.306 119.070 0.191 0.000 2.319 243 H HA -0.070 4.485 4.556 -0.000 0.000 0.297 243 H C 1.708 177.118 175.328 0.137 0.000 1.097 243 H CA 1.745 57.882 56.048 0.149 0.000 1.285 243 H CB -0.430 29.424 29.762 0.153 0.000 1.368 243 H HN 0.585 nan 8.280 nan 0.000 0.495 244 R N 0.760 121.142 120.500 -0.197 0.000 2.265 244 R HA 0.532 4.872 4.340 -0.000 0.000 0.194 244 R C 0.487 176.729 176.300 -0.097 0.000 0.931 244 R CA 0.528 56.634 56.100 0.010 0.000 1.032 244 R CB 0.871 31.251 30.300 0.134 0.000 0.980 244 R HN 0.370 nan 8.270 nan 0.000 0.497 245 A N 0.432 123.142 122.820 -0.183 0.000 2.608 245 A HA 0.448 4.768 4.320 -0.000 0.000 0.292 245 A C -1.592 175.729 177.584 -0.438 0.000 1.066 245 A CA -0.974 50.807 52.037 -0.426 0.000 0.676 245 A CB 1.207 19.792 19.000 -0.692 0.000 1.277 245 A HN -0.009 nan 8.150 nan 0.000 0.413 246 N N -0.046 118.319 118.700 -0.558 0.000 2.487 246 N HA 0.779 5.518 4.740 -0.000 0.000 0.292 246 N C -1.552 173.446 175.510 -0.852 0.000 1.108 246 N CA 0.303 53.109 53.050 -0.407 0.000 0.956 246 N CB 1.051 39.492 38.487 -0.077 0.000 1.176 246 N HN 0.450 nan 8.380 nan 0.000 0.484 247 F N -0.511 119.191 119.950 -0.412 0.000 2.588 247 F HA 0.422 4.949 4.527 -0.001 0.000 0.314 247 F C 0.166 175.616 175.800 -0.583 0.000 1.069 247 F CA -0.509 57.081 58.000 -0.684 0.000 0.931 247 F CB 2.216 40.511 39.000 -1.175 0.000 1.260 247 F HN 0.098 nan 8.300 nan 0.000 0.465 248 T N 3.432 117.773 114.554 -0.355 0.000 2.937 248 T HA 0.547 4.897 4.350 -0.000 0.000 0.297 248 T C -0.602 173.687 174.700 -0.684 0.000 0.991 248 T CA -0.454 61.365 62.100 -0.469 0.000 0.990 248 T CB 0.827 69.460 68.868 -0.393 0.000 0.991 248 T HN 0.301 nan 8.240 nan 0.000 0.440 249 I N 3.195 123.365 120.570 -0.668 0.000 2.325 249 I HA 0.501 4.671 4.170 -0.000 0.000 0.291 249 I C 0.275 176.086 176.117 -0.509 0.000 1.019 249 I CA -1.034 59.832 61.300 -0.723 0.000 1.302 249 I CB 1.210 38.955 38.000 -0.425 0.000 1.401 249 I HN 0.287 nan 8.210 nan 0.000 0.485 250 V N 5.189 124.849 119.914 -0.424 0.000 2.483 250 V HA 0.375 4.494 4.120 -0.000 0.000 0.295 250 V C -0.564 175.434 176.094 -0.161 0.000 1.035 250 V CA -0.368 61.774 62.300 -0.262 0.000 0.896 250 V CB 1.919 33.638 31.823 -0.172 0.000 0.986 250 V HN 0.810 nan 8.190 nan 0.000 0.447 251 D N 5.405 125.737 120.400 -0.114 0.000 2.308 251 D HA 0.599 5.238 4.640 -0.000 0.000 0.251 251 D C -0.075 176.197 176.300 -0.046 0.000 1.127 251 D CA 0.364 54.319 54.000 -0.076 0.000 0.876 251 D CB 1.505 42.269 40.800 -0.059 0.000 1.176 251 D HN 0.993 nan 8.370 nan 0.000 0.446 252 A N 4.504 127.288 122.820 -0.061 0.000 2.586 252 A HA 0.462 4.782 4.320 -0.000 0.000 0.320 252 A C -2.486 175.034 177.584 -0.108 0.000 1.281 252 A CA -1.432 50.564 52.037 -0.069 0.000 0.775 252 A CB 0.600 19.542 19.000 -0.097 0.000 1.122 252 A HN 0.478 nan 8.150 nan 0.000 0.470 253 P HA 0.128 nan 4.420 nan 0.000 0.262 253 P C 1.121 178.381 177.300 -0.066 0.000 1.199 253 P CA 0.563 63.614 63.100 -0.082 0.000 0.763 253 P CB 0.942 32.597 31.700 -0.074 0.000 0.790 254 G N 1.901 110.643 108.800 -0.096 0.000 3.088 254 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.212 254 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.212 254 G C 0.404 175.372 174.900 0.113 0.000 1.173 254 G CA 0.184 45.252 45.100 -0.053 0.000 0.779 254 G HN 0.548 nan 8.290 nan 0.000 0.540 255 H N 0.812 119.895 119.070 0.023 0.000 2.629 255 H HA 0.183 4.739 4.556 -0.001 0.000 0.357 255 H C 1.500 176.914 175.328 0.144 0.000 1.121 255 H CA -0.190 55.886 56.048 0.047 0.000 1.406 255 H CB 1.031 30.778 29.762 -0.025 0.000 1.456 255 H HN 0.192 nan 8.280 nan 0.000 0.579 256 R N 1.824 122.395 120.500 0.119 0.000 2.139 256 R HA -0.129 4.211 4.340 -0.000 0.000 0.243 256 R C 0.587 177.046 176.300 0.265 0.000 1.145 256 R CA 1.735 57.921 56.100 0.143 0.000 0.976 256 R CB 0.134 30.458 30.300 0.040 0.000 0.866 256 R HN 0.552 nan 8.270 nan 0.000 0.449 257 D N -0.352 120.326 120.400 0.464 0.000 2.349 257 D HA -0.033 4.607 4.640 -0.000 0.000 0.215 257 D C 0.406 176.841 176.300 0.225 0.000 1.016 257 D CA 0.719 54.892 54.000 0.288 0.000 0.870 257 D CB 0.110 41.055 40.800 0.240 0.000 0.917 257 D HN 0.186 nan 8.370 nan 0.000 0.524 258 F N 0.121 120.142 119.950 0.119 0.000 2.735 258 F HA 0.138 4.665 4.527 -0.000 0.000 0.304 258 F C 1.750 177.598 175.800 0.080 0.000 1.119 258 F CA -0.291 57.760 58.000 0.084 0.000 1.280 258 F CB 0.351 39.398 39.000 0.080 0.000 0.994 258 F HN -0.256 nan 8.300 nan 0.000 0.520 259 V N 1.592 121.618 119.914 0.187 0.000 2.287 259 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 259 V C -0.261 175.835 176.094 0.003 0.000 1.053 259 V CA 2.154 64.519 62.300 0.109 0.000 1.027 259 V CB -1.305 30.533 31.823 0.025 0.000 0.646 259 V HN 0.177 nan 8.190 nan 0.000 0.447 260 P HA -0.163 nan 4.420 nan 0.000 0.216 260 P C 1.133 178.471 177.300 0.063 0.000 1.157 260 P CA 1.878 64.975 63.100 -0.006 0.000 0.880 260 P CB -0.234 31.576 31.700 0.183 0.000 0.791 261 N N -0.328 118.425 118.700 0.088 0.000 2.120 261 N HA -0.139 4.600 4.740 -0.000 0.000 0.188 261 N C 1.790 177.367 175.510 0.112 0.000 1.024 261 N CA 1.492 54.620 53.050 0.129 0.000 0.852 261 N CB -1.056 37.573 38.487 0.235 0.000 1.003 261 N HN 0.069 nan 8.380 nan 0.000 0.424 262 A N 1.132 124.017 122.820 0.109 0.000 1.908 262 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 262 A C 2.173 179.780 177.584 0.038 0.000 1.181 262 A CA 1.049 53.116 52.037 0.050 0.000 0.627 262 A CB -0.784 18.248 19.000 0.055 0.000 0.818 262 A HN 0.238 nan 8.150 nan 0.000 0.445 263 I N -0.901 119.680 120.570 0.018 0.000 2.163 263 I HA -0.358 3.812 4.170 -0.000 0.000 0.243 263 I C 2.780 178.929 176.117 0.054 0.000 1.085 263 I CA 1.872 63.170 61.300 -0.004 0.000 1.347 263 I CB -0.404 37.510 38.000 -0.142 0.000 1.044 263 I HN 0.394 nan 8.210 nan 0.000 0.408 264 M N 0.203 119.851 119.600 0.079 0.000 2.073 264 M HA -0.201 4.278 4.480 -0.000 0.000 0.258 264 M C 2.342 178.683 176.300 0.068 0.000 1.070 264 M CA 2.371 57.724 55.300 0.088 0.000 1.103 264 M CB -0.908 31.747 32.600 0.093 0.000 1.321 264 M HN 0.387 nan 8.290 nan 0.000 0.405 265 G N 0.152 108.985 108.800 0.055 0.000 2.404 265 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.215 265 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.215 265 G C 1.413 176.340 174.900 0.043 0.000 1.174 265 G CA 0.609 45.732 45.100 0.040 0.000 0.780 265 G HN 0.425 nan 8.290 nan 0.000 0.537 266 I N 2.003 122.597 120.570 0.039 0.000 2.264 266 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 266 I C 3.095 179.247 176.117 0.058 0.000 1.111 266 I CA 1.511 62.840 61.300 0.048 0.000 1.382 266 I CB -0.278 37.752 38.000 0.049 0.000 1.060 266 I HN 0.343 nan 8.210 nan 0.000 0.418 267 S N 0.396 116.130 115.700 0.057 0.000 2.442 267 S HA -0.174 4.296 4.470 -0.000 0.000 0.236 267 S C 1.718 176.348 174.600 0.050 0.000 1.007 267 S CA 0.902 59.133 58.200 0.052 0.000 0.965 267 S CB -0.140 63.094 63.200 0.057 0.000 0.773 267 S HN 0.475 nan 8.310 nan 0.000 0.504 268 Q N 0.456 120.303 119.800 0.078 0.000 2.247 268 Q HA 0.502 4.842 4.340 -0.000 0.000 0.211 268 Q C 0.221 176.337 176.000 0.193 0.000 0.861 268 Q CA 0.366 56.237 55.803 0.113 0.000 0.949 268 Q CB 0.726 29.567 28.738 0.171 0.000 1.115 268 Q HN 0.659 nan 8.270 nan 0.000 0.507 269 A N 1.078 123.982 122.820 0.141 0.000 2.290 269 A HA 0.297 4.617 4.320 -0.000 0.000 0.310 269 A C 0.373 178.042 177.584 0.141 0.000 1.202 269 A CA -0.471 51.656 52.037 0.150 0.000 0.837 269 A CB 0.628 19.692 19.000 0.107 0.000 1.139 269 A HN -0.095 nan 8.150 nan 0.000 0.509 270 D N 1.280 121.779 120.400 0.165 0.000 2.123 270 D HA -0.085 4.555 4.640 -0.000 0.000 0.196 270 D C 0.916 177.302 176.300 0.143 0.000 0.992 270 D CA 2.480 56.568 54.000 0.147 0.000 0.833 270 D CB -0.128 40.760 40.800 0.147 0.000 0.954 270 D HN 0.792 nan 8.370 nan 0.000 0.455 271 M N -2.630 117.066 119.600 0.159 0.000 2.924 271 M HA 0.665 5.145 4.480 -0.000 0.000 0.271 271 M C -1.901 174.485 176.300 0.144 0.000 1.280 271 M CA -1.117 54.266 55.300 0.138 0.000 0.813 271 M CB 2.564 35.232 32.600 0.112 0.000 1.658 271 M HN -0.227 nan 8.290 nan 0.000 0.467 272 A N 1.038 123.905 122.820 0.078 0.000 2.401 272 A HA 0.892 5.212 4.320 -0.000 0.000 0.310 272 A C -1.228 176.333 177.584 -0.038 0.000 1.075 272 A CA -0.805 51.266 52.037 0.055 0.000 0.746 272 A CB 1.312 20.335 19.000 0.039 0.000 1.277 272 A HN 0.814 nan 8.150 nan 0.000 0.425 273 I N 1.879 122.432 120.570 -0.028 0.000 2.336 273 I HA 0.290 4.459 4.170 -0.000 0.000 0.292 273 I C -0.879 175.190 176.117 -0.081 0.000 0.991 273 I CA -0.667 60.570 61.300 -0.105 0.000 1.227 273 I CB 1.654 39.580 38.000 -0.123 0.000 1.366 273 I HN 0.551 nan 8.210 nan 0.000 0.466 274 L N 8.042 129.188 121.223 -0.128 0.000 2.276 274 L HA 0.404 4.743 4.340 -0.000 0.000 0.286 274 L C -0.512 176.311 176.870 -0.078 0.000 1.024 274 L CA -0.116 54.668 54.840 -0.093 0.000 0.826 274 L CB 1.068 43.053 42.059 -0.123 0.000 1.211 274 L HN 0.686 nan 8.230 nan 0.000 0.422 275 C N 5.696 124.973 119.300 -0.038 0.000 2.415 275 C HA 0.714 5.174 4.460 -0.000 0.000 0.369 275 C C -0.044 174.947 174.990 0.002 0.000 1.279 275 C CA -0.335 58.664 59.018 -0.031 0.000 1.886 275 C CB -0.162 27.563 27.740 -0.026 0.000 2.468 275 C HN 0.677 nan 8.230 nan 0.000 0.553 276 V N 6.108 126.017 119.914 -0.008 0.000 2.588 276 V HA 0.309 4.428 4.120 -0.000 0.000 0.304 276 V C -0.341 175.755 176.094 0.004 0.000 1.042 276 V CA -0.427 61.896 62.300 0.039 0.000 0.877 276 V CB 2.044 33.876 31.823 0.014 0.000 0.996 276 V HN 0.899 nan 8.190 nan 0.000 0.425 277 D N 2.776 123.206 120.400 0.050 0.000 2.383 277 D HA 0.155 4.794 4.640 -0.000 0.000 0.252 277 D C 0.651 176.968 176.300 0.029 0.000 1.166 277 D CA 0.135 54.142 54.000 0.012 0.000 0.879 277 D CB 1.288 42.089 40.800 0.000 0.000 1.164 277 D HN 0.542 nan 8.370 nan 0.000 0.462 278 C N 2.348 121.625 119.300 -0.038 0.000 2.865 278 C HA 0.135 4.595 4.460 -0.000 0.000 0.280 278 C C 0.949 175.927 174.990 -0.020 0.000 1.255 278 C CA 0.072 59.050 59.018 -0.066 0.000 1.705 278 C CB -1.344 26.335 27.740 -0.102 0.000 2.080 278 C HN 0.748 nan 8.230 nan 0.000 0.591 279 S N 1.986 117.683 115.700 -0.004 0.000 2.566 279 S HA 0.243 4.712 4.470 -0.000 0.000 0.280 279 S C 0.472 175.085 174.600 0.021 0.000 1.343 279 S CA 0.225 58.431 58.200 0.010 0.000 1.036 279 S CB 0.086 63.303 63.200 0.027 0.000 0.866 279 S HN 0.634 nan 8.310 nan 0.000 0.526 288 D N 6.365 126.231 120.400 -0.890 0.000 2.542 288 D HA 0.283 4.923 4.640 -0.000 0.000 0.252 288 D C -1.074 174.702 176.300 -0.873 0.000 1.222 288 D CA -0.376 53.194 54.000 -0.718 0.000 0.895 288 D CB 2.788 43.375 40.800 -0.356 0.000 1.207 288 D HN 0.494 nan 8.370 nan 0.000 0.558 289 L N 3.824 124.584 121.223 -0.771 0.000 2.416 289 L HA 0.087 4.426 4.340 -0.000 0.000 0.272 289 L C 0.555 177.243 176.870 -0.304 0.000 1.161 289 L CA 0.009 54.568 54.840 -0.467 0.000 0.845 289 L CB 0.429 42.307 42.059 -0.302 0.000 1.119 289 L HN 0.338 nan 8.230 nan 0.000 0.464 290 D N 2.825 123.122 120.400 -0.171 0.000 2.377 290 D HA 0.098 4.738 4.640 -0.000 0.000 0.245 290 D C 0.997 177.221 176.300 -0.128 0.000 1.196 290 D CA 0.132 54.065 54.000 -0.112 0.000 0.962 290 D CB 0.448 41.250 40.800 0.004 0.000 1.127 290 D HN 0.596 nan 8.370 nan 0.000 0.471 291 G N 0.514 109.241 108.800 -0.121 0.000 2.511 291 G HA2 -0.386 3.573 3.960 -0.000 0.000 0.216 291 G HA3 -0.386 3.573 3.960 -0.000 0.000 0.216 291 G C 1.423 176.225 174.900 -0.163 0.000 1.218 291 G CA 1.859 46.883 45.100 -0.127 0.000 0.788 291 G HN 0.723 nan 8.290 nan 0.000 0.560 292 Q N -0.382 119.301 119.800 -0.194 0.000 2.173 292 Q HA -0.114 4.226 4.340 -0.000 0.000 0.208 292 Q C 2.145 177.934 176.000 -0.352 0.000 0.989 292 Q CA 2.613 58.239 55.803 -0.296 0.000 0.872 292 Q CB -1.098 27.494 28.738 -0.244 0.000 0.909 292 Q HN 0.366 nan 8.270 nan 0.000 0.420 293 T N 0.328 114.801 114.554 -0.134 0.000 2.851 293 T HA 0.011 4.361 4.350 -0.000 0.000 0.262 293 T C 1.486 176.184 174.700 -0.004 0.000 1.043 293 T CA 1.097 63.203 62.100 0.010 0.000 1.140 293 T CB -0.069 68.826 68.868 0.046 0.000 0.872 293 T HN 0.309 nan 8.240 nan 0.000 0.446 294 K N 0.819 121.188 120.400 -0.051 0.000 2.103 294 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 294 K C 2.334 178.933 176.600 -0.001 0.000 1.048 294 K CA 1.301 57.604 56.287 0.027 0.000 0.930 294 K CB -0.109 32.366 32.500 -0.042 0.000 0.716 294 K HN 0.280 nan 8.250 nan 0.000 0.444 295 E N 0.801 120.920 120.200 -0.135 0.000 2.021 295 E HA -0.228 4.122 4.350 -0.000 0.000 0.200 295 E C 1.684 178.197 176.600 -0.145 0.000 1.015 295 E CA 1.952 58.228 56.400 -0.207 0.000 0.824 295 E CB -0.217 29.260 29.700 -0.371 0.000 0.762 295 E HN 0.450 nan 8.360 nan 0.000 0.454 296 H N -1.148 117.919 119.070 -0.005 0.000 2.352 296 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 296 H C 1.978 177.333 175.328 0.044 0.000 1.097 296 H CA 1.467 57.520 56.048 0.009 0.000 1.311 296 H CB -0.055 29.710 29.762 0.006 0.000 1.377 296 H HN 0.212 nan 8.280 nan 0.000 0.504 297 M N -0.021 119.689 119.600 0.182 0.000 2.159 297 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 297 M C 2.197 178.603 176.300 0.177 0.000 1.063 297 M CA 0.880 56.309 55.300 0.215 0.000 1.110 297 M CB -0.781 31.970 32.600 0.252 0.000 1.374 297 M HN 0.277 nan 8.290 nan 0.000 0.411 298 L N 0.513 121.757 121.223 0.036 0.000 2.056 298 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 298 L C 2.204 179.024 176.870 -0.083 0.000 1.078 298 L CA 1.597 56.356 54.840 -0.135 0.000 0.749 298 L CB -0.895 40.983 42.059 -0.301 0.000 0.901 298 L HN 0.211 nan 8.230 nan 0.000 0.433 299 L N -0.813 120.404 121.223 -0.011 0.000 1.989 299 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 299 L C 2.689 179.586 176.870 0.045 0.000 1.071 299 L CA 1.321 56.179 54.840 0.030 0.000 0.749 299 L CB -1.098 40.991 42.059 0.050 0.000 0.890 299 L HN 0.365 nan 8.230 nan 0.000 0.431 300 A N 0.690 123.567 122.820 0.094 0.000 1.869 300 A HA -0.319 4.001 4.320 -0.000 0.000 0.218 300 A C 2.541 180.148 177.584 0.038 0.000 1.203 300 A CA 2.931 55.043 52.037 0.124 0.000 0.638 300 A CB -1.092 18.055 19.000 0.245 0.000 0.831 300 A HN 0.563 nan 8.150 nan 0.000 0.450 301 S N -0.657 114.995 115.700 -0.079 0.000 2.382 301 S HA -0.142 4.328 4.470 -0.000 0.000 0.228 301 S C 2.026 176.499 174.600 -0.211 0.000 1.027 301 S CA 1.674 59.629 58.200 -0.409 0.000 0.991 301 S CB -0.826 61.800 63.200 -0.956 0.000 0.823 301 S HN 0.476 nan 8.310 nan 0.000 0.469 302 S N 2.193 117.839 115.700 -0.090 0.000 2.370 302 S HA 0.078 4.547 4.470 -0.000 0.000 0.226 302 S C 1.499 176.098 174.600 -0.000 0.000 1.033 302 S CA 1.393 59.599 58.200 0.009 0.000 1.011 302 S CB -0.516 62.750 63.200 0.110 0.000 0.852 302 S HN 0.496 nan 8.310 nan 0.000 0.457 303 L N 0.585 121.803 121.223 -0.009 0.000 2.629 303 L HA 0.282 4.622 4.340 -0.000 0.000 0.230 303 L C 1.491 178.335 176.870 -0.045 0.000 1.151 303 L CA 0.297 55.136 54.840 -0.000 0.000 0.924 303 L CB -0.130 41.945 42.059 0.026 0.000 1.137 303 L HN 0.491 nan 8.230 nan 0.000 0.457 304 G N 0.134 108.858 108.800 -0.127 0.000 2.159 304 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.227 304 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.227 304 G C 0.266 174.871 174.900 -0.493 0.000 0.986 304 G CA -0.564 44.378 45.100 -0.264 0.000 0.651 304 G HN 0.226 nan 8.290 nan 0.000 0.523 305 I N 1.983 122.399 120.570 -0.257 0.000 2.517 305 I HA 0.215 4.385 4.170 -0.000 0.000 0.285 305 I C 1.493 177.538 176.117 -0.119 0.000 1.106 305 I CA -0.358 60.873 61.300 -0.115 0.000 1.402 305 I CB 0.518 38.575 38.000 0.095 0.000 1.399 305 I HN 0.155 nan 8.210 nan 0.000 0.535 306 H N 4.228 123.432 119.070 0.223 0.000 2.604 306 H HA 0.235 4.791 4.556 -0.001 0.000 0.273 306 H C 0.071 175.596 175.328 0.328 0.000 0.971 306 H CA 0.100 56.314 56.048 0.277 0.000 1.249 306 H CB 0.482 30.351 29.762 0.178 0.000 1.449 306 H HN 0.525 nan 8.280 nan 0.000 0.512 307 N N 1.622 120.509 118.700 0.311 0.000 2.421 307 N HA 0.354 5.094 4.740 -0.000 0.000 0.285 307 N C -0.604 174.934 175.510 0.046 0.000 1.027 307 N CA -0.163 52.990 53.050 0.171 0.000 0.918 307 N CB 2.563 41.129 38.487 0.132 0.000 1.152 307 N HN 0.060 nan 8.380 nan 0.000 0.485 308 L N 2.073 123.244 121.223 -0.087 0.000 2.370 308 L HA 0.626 4.965 4.340 -0.000 0.000 0.266 308 L C -0.360 176.372 176.870 -0.231 0.000 1.002 308 L CA -0.812 53.891 54.840 -0.228 0.000 0.818 308 L CB 2.275 44.048 42.059 -0.477 0.000 1.325 308 L HN 0.302 nan 8.230 nan 0.000 0.418 309 I N 3.235 123.662 120.570 -0.237 0.000 2.418 309 I HA 0.324 4.494 4.170 -0.000 0.000 0.287 309 I C -0.620 175.318 176.117 -0.299 0.000 1.008 309 I CA -0.612 60.541 61.300 -0.246 0.000 1.104 309 I CB 2.034 39.921 38.000 -0.188 0.000 1.264 309 I HN 0.300 nan 8.210 nan 0.000 0.438 310 I N 5.819 126.142 120.570 -0.411 0.000 2.301 310 I HA 0.271 4.440 4.170 -0.000 0.000 0.292 310 I C 0.740 176.758 176.117 -0.164 0.000 1.046 310 I CA -0.308 60.763 61.300 -0.382 0.000 1.282 310 I CB 0.969 38.541 38.000 -0.713 0.000 1.409 310 I HN 0.538 nan 8.210 nan 0.000 0.484 311 A N 8.724 131.474 122.820 -0.117 0.000 2.415 311 A HA 0.445 4.765 4.320 -0.000 0.000 0.309 311 A C 0.450 178.011 177.584 -0.039 0.000 1.356 311 A CA -0.537 51.468 52.037 -0.055 0.000 0.998 311 A CB -0.066 18.895 19.000 -0.066 0.000 1.145 311 A HN 0.599 nan 8.150 nan 0.000 0.545 312 M N 3.213 122.821 119.600 0.012 0.000 2.618 312 M HA 0.110 4.590 4.480 -0.000 0.000 0.322 312 M C 0.112 176.385 176.300 -0.045 0.000 1.471 312 M CA 0.075 55.371 55.300 -0.006 0.000 1.450 312 M CB -1.084 31.577 32.600 0.101 0.000 1.444 312 M HN 0.723 nan 8.290 nan 0.000 0.471 313 N N 3.158 121.808 118.700 -0.084 0.000 2.458 313 N HA 0.262 5.001 4.740 -0.000 0.000 0.271 313 N C -0.330 175.083 175.510 -0.161 0.000 1.210 313 N CA -0.135 52.840 53.050 -0.124 0.000 0.978 313 N CB 0.911 39.327 38.487 -0.118 0.000 1.206 313 N HN 0.492 nan 8.380 nan 0.000 0.536 314 K N 0.785 121.060 120.400 -0.209 0.000 3.311 314 K HA -0.226 4.094 4.320 -0.000 0.000 0.270 314 K C 0.505 177.009 176.600 -0.159 0.000 0.927 314 K CA 0.460 56.649 56.287 -0.163 0.000 0.706 314 K CB -1.573 30.850 32.500 -0.127 0.000 1.418 314 K HN 0.525 nan 8.250 nan 0.000 0.459 315 M N 0.675 120.040 119.600 -0.392 0.000 2.279 315 M HA -0.126 4.354 4.480 -0.000 0.000 0.264 315 M C 0.947 176.929 176.300 -0.530 0.000 1.062 315 M CA 1.646 56.593 55.300 -0.589 0.000 1.099 315 M CB -0.537 31.336 32.600 -1.213 0.000 1.394 315 M HN 0.303 nan 8.290 nan 0.000 0.426 316 D N 0.906 121.098 120.400 -0.346 0.000 2.133 316 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 316 D C 1.243 177.558 176.300 0.025 0.000 0.997 316 D CA 1.170 55.166 54.000 -0.008 0.000 0.840 316 D CB -0.570 40.360 40.800 0.217 0.000 0.947 316 D HN 0.320 nan 8.370 nan 0.000 0.452 317 N N -0.423 118.306 118.700 0.049 0.000 2.575 317 N HA -0.018 4.722 4.740 -0.000 0.000 0.192 317 N C 0.352 175.868 175.510 0.010 0.000 1.200 317 N CA 0.158 53.232 53.050 0.039 0.000 0.897 317 N CB 0.616 39.156 38.487 0.088 0.000 0.990 317 N HN 0.074 nan 8.380 nan 0.000 0.449 318 V N -0.182 119.726 119.914 -0.011 0.000 3.172 318 V HA 0.055 4.174 4.120 -0.000 0.000 0.343 318 V C -0.421 175.699 176.094 0.045 0.000 1.429 318 V CA -0.358 61.942 62.300 0.001 0.000 1.149 318 V CB 0.103 31.913 31.823 -0.021 0.000 1.106 318 V HN 0.073 nan 8.190 nan 0.000 0.526 319 D N -0.159 120.292 120.400 0.085 0.000 2.737 319 D HA -0.256 4.384 4.640 -0.000 0.000 0.233 319 D C 0.185 176.729 176.300 0.406 0.000 1.155 319 D CA 1.199 55.337 54.000 0.230 0.000 0.667 319 D CB -1.321 39.576 40.800 0.162 0.000 1.060 319 D HN 0.710 nan 8.370 nan 0.000 0.427 320 W N -0.878 120.512 121.300 0.150 0.000 5.361 320 W HA -0.258 4.402 4.660 -0.000 0.000 0.385 320 W C 0.735 177.355 176.519 0.168 0.000 1.458 320 W CA 0.613 58.103 57.345 0.242 0.000 0.922 320 W CB -2.460 27.183 29.460 0.305 0.000 2.606 320 W HN 0.257 nan 8.180 nan 0.000 1.450 321 S N 0.639 116.424 115.700 0.141 0.000 2.466 321 S HA 0.068 4.538 4.470 -0.000 0.000 0.286 321 S C 1.426 175.851 174.600 -0.292 0.000 1.221 321 S CA 0.419 58.584 58.200 -0.058 0.000 1.091 321 S CB 1.143 64.313 63.200 -0.049 0.000 0.956 321 S HN 0.470 nan 8.310 nan 0.000 0.501 322 Q N 3.320 122.648 119.800 -0.787 0.000 2.135 322 Q HA -0.197 4.142 4.340 -0.000 0.000 0.204 322 Q C 1.962 177.670 176.000 -0.487 0.000 0.981 322 Q CA 1.404 56.449 55.803 -1.265 0.000 0.856 322 Q CB -0.162 27.541 28.738 -1.726 0.000 0.902 322 Q HN 0.871 nan 8.270 nan 0.000 0.425 323 Q N 0.631 120.240 119.800 -0.319 0.000 2.045 323 Q HA -0.243 4.097 4.340 -0.000 0.000 0.206 323 Q C 2.111 178.041 176.000 -0.116 0.000 0.991 323 Q CA 1.994 57.694 55.803 -0.171 0.000 0.851 323 Q CB -0.191 28.471 28.738 -0.126 0.000 0.911 323 Q HN 0.199 nan 8.270 nan 0.000 0.418 324 R N -0.067 120.374 120.500 -0.099 0.000 2.070 324 R HA -0.136 4.203 4.340 -0.000 0.000 0.233 324 R C 2.235 178.490 176.300 -0.075 0.000 1.137 324 R CA 1.839 57.896 56.100 -0.072 0.000 0.945 324 R CB -1.375 28.894 30.300 -0.052 0.000 0.845 324 R HN 0.338 nan 8.270 nan 0.000 0.430 325 F N 1.279 121.108 119.950 -0.201 0.000 2.043 325 F HA -0.292 4.235 4.527 -0.000 0.000 0.297 325 F C 2.162 177.841 175.800 -0.202 0.000 1.118 325 F CA 2.409 60.307 58.000 -0.170 0.000 1.202 325 F CB -0.472 38.452 39.000 -0.127 0.000 0.965 325 F HN 0.177 nan 8.300 nan 0.000 0.482 326 E N 0.522 120.785 120.200 0.105 0.000 2.265 326 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 326 E C 2.052 178.555 176.600 -0.161 0.000 0.996 326 E CA 1.373 57.764 56.400 -0.016 0.000 0.832 326 E CB -0.453 29.246 29.700 -0.002 0.000 0.756 326 E HN 0.693 nan 8.360 nan 0.000 0.491 327 E N -0.275 119.836 120.200 -0.148 0.000 2.086 327 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 327 E C 2.134 178.632 176.600 -0.170 0.000 0.975 327 E CA 0.660 56.983 56.400 -0.129 0.000 0.813 327 E CB -0.081 29.568 29.700 -0.084 0.000 0.768 327 E HN 0.325 nan 8.360 nan 0.000 0.457 328 I N 1.442 121.852 120.570 -0.266 0.000 2.179 328 I HA -0.277 3.892 4.170 -0.000 0.000 0.242 328 I C 2.785 178.679 176.117 -0.371 0.000 1.088 328 I CA 1.256 62.315 61.300 -0.402 0.000 1.357 328 I CB -0.272 37.321 38.000 -0.679 0.000 1.051 328 I HN 0.095 nan 8.210 nan 0.000 0.409 329 K N 0.761 120.848 120.400 -0.521 0.000 2.063 329 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 329 K C 2.119 178.466 176.600 -0.421 0.000 1.048 329 K CA 1.847 57.694 56.287 -0.733 0.000 0.928 329 K CB -0.034 31.737 32.500 -1.215 0.000 0.713 329 K HN 0.129 nan 8.250 nan 0.000 0.442 330 S N 0.269 115.804 115.700 -0.275 0.000 2.481 330 S HA -0.064 4.406 4.470 -0.000 0.000 0.231 330 S C 1.599 176.175 174.600 -0.039 0.000 0.996 330 S CA 0.994 59.110 58.200 -0.141 0.000 0.942 330 S CB 0.015 63.150 63.200 -0.108 0.000 0.768 330 S HN 0.343 nan 8.310 nan 0.000 0.520 331 K N 0.384 120.780 120.400 -0.007 0.000 2.168 331 K HA 0.168 4.488 4.320 -0.000 0.000 0.201 331 K C 1.941 178.639 176.600 0.164 0.000 1.049 331 K CA 0.315 56.655 56.287 0.087 0.000 0.974 331 K CB -0.129 32.456 32.500 0.141 0.000 0.792 331 K HN 0.151 nan 8.250 nan 0.000 0.463 332 L N 1.428 122.767 121.223 0.194 0.000 2.044 332 L HA -0.059 4.281 4.340 -0.000 0.000 0.205 332 L C 1.992 179.087 176.870 0.374 0.000 1.075 332 L CA 1.287 56.320 54.840 0.323 0.000 0.747 332 L CB -0.790 41.485 42.059 0.360 0.000 0.903 332 L HN 0.251 nan 8.230 nan 0.000 0.435 333 L N 0.735 122.170 121.223 0.355 0.000 1.978 333 L HA -0.161 4.178 4.340 -0.000 0.000 0.218 333 L C -0.568 176.438 176.870 0.227 0.000 1.075 333 L CA 2.460 57.513 54.840 0.356 0.000 0.767 333 L CB -2.210 39.963 42.059 0.191 0.000 0.890 333 L HN 0.205 nan 8.230 nan 0.000 0.434 334 P HA -0.187 nan 4.420 nan 0.000 0.220 334 P C 1.365 178.748 177.300 0.138 0.000 1.148 334 P CA 1.423 64.595 63.100 0.120 0.000 0.803 334 P CB -0.277 31.480 31.700 0.095 0.000 0.782 335 Y N 0.665 121.015 120.300 0.083 0.000 2.130 335 Y HA -0.140 4.410 4.550 -0.000 0.000 0.287 335 Y C 2.064 178.020 175.900 0.092 0.000 1.124 335 Y CA 1.403 59.545 58.100 0.071 0.000 1.118 335 Y CB -1.031 37.474 38.460 0.075 0.000 0.994 335 Y HN -0.277 nan 8.280 nan 0.000 0.497 336 L N -0.465 120.782 121.223 0.040 0.000 2.081 336 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 336 L C 2.293 179.203 176.870 0.066 0.000 1.080 336 L CA 1.303 56.161 54.840 0.030 0.000 0.754 336 L CB -0.774 41.331 42.059 0.076 0.000 0.893 336 L HN 0.226 nan 8.230 nan 0.000 0.433 337 V N -0.352 119.574 119.914 0.020 0.000 2.379 337 V HA -0.264 3.855 4.120 -0.000 0.000 0.245 337 V C 2.154 178.163 176.094 -0.142 0.000 1.044 337 V CA 1.930 64.200 62.300 -0.051 0.000 1.036 337 V CB -0.429 31.386 31.823 -0.014 0.000 0.664 337 V HN 0.466 nan 8.190 nan 0.000 0.453 338 D N -0.026 120.293 120.400 -0.135 0.000 2.221 338 D HA -0.170 4.469 4.640 -0.000 0.000 0.204 338 D C 1.846 178.022 176.300 -0.206 0.000 0.982 338 D CA 1.217 55.130 54.000 -0.145 0.000 0.857 338 D CB -0.121 40.612 40.800 -0.111 0.000 0.934 338 D HN 0.438 nan 8.370 nan 0.000 0.475 339 I N -1.548 118.846 120.570 -0.294 0.000 3.226 339 I HA 0.133 4.303 4.170 -0.000 0.000 0.277 339 I C 1.530 177.456 176.117 -0.319 0.000 1.243 339 I CA 0.862 61.966 61.300 -0.327 0.000 1.459 339 I CB 0.321 38.058 38.000 -0.438 0.000 1.093 339 I HN 0.354 nan 8.210 nan 0.000 0.453 340 G N -0.153 108.451 108.800 -0.326 0.000 2.425 340 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.177 340 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.177 340 G C 0.139 174.758 174.900 -0.468 0.000 0.999 340 G CA -0.673 44.190 45.100 -0.394 0.000 0.723 340 G HN 0.103 nan 8.290 nan 0.000 0.491 341 F N 0.420 120.245 119.950 -0.209 0.000 2.378 341 F HA 0.761 5.288 4.527 -0.000 0.000 0.319 341 F C 0.516 176.153 175.800 -0.272 0.000 1.155 341 F CA -0.435 57.510 58.000 -0.093 0.000 1.157 341 F CB 0.533 39.514 39.000 -0.031 0.000 1.252 341 F HN -0.062 nan 8.300 nan 0.000 0.550 342 F N 0.183 120.298 119.950 0.276 0.000 2.495 342 F HA 0.244 4.770 4.527 -0.001 0.000 0.327 342 F C 1.255 177.160 175.800 0.175 0.000 1.103 342 F CA -0.748 57.360 58.000 0.180 0.000 0.949 342 F CB 1.597 40.678 39.000 0.134 0.000 1.142 342 F HN 0.613 nan 8.300 nan 0.000 0.457 343 E N 1.503 121.889 120.200 0.311 0.000 2.136 343 E HA -0.279 4.071 4.350 -0.000 0.000 0.202 343 E C 0.975 177.732 176.600 0.261 0.000 1.019 343 E CA 2.129 58.692 56.400 0.271 0.000 0.819 343 E CB 0.072 29.907 29.700 0.226 0.000 0.739 343 E HN 0.671 nan 8.360 nan 0.000 0.458 344 D N -0.423 120.127 120.400 0.249 0.000 2.348 344 D HA -0.064 4.576 4.640 -0.000 0.000 0.216 344 D C 0.586 176.985 176.300 0.166 0.000 0.970 344 D CA 0.643 54.754 54.000 0.185 0.000 0.889 344 D CB -0.205 40.678 40.800 0.138 0.000 0.912 344 D HN 0.358 nan 8.370 nan 0.000 0.524 345 N N -0.082 118.738 118.700 0.200 0.000 2.235 345 N HA 0.173 4.913 4.740 -0.000 0.000 0.209 345 N C -0.120 175.449 175.510 0.098 0.000 1.122 345 N CA -0.062 53.089 53.050 0.167 0.000 0.845 345 N CB 1.048 39.679 38.487 0.240 0.000 1.004 345 N HN 0.051 nan 8.380 nan 0.000 0.499 346 I N 0.436 121.050 120.570 0.074 0.000 2.465 346 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 346 I C -0.833 175.238 176.117 -0.076 0.000 1.014 346 I CA -0.758 60.484 61.300 -0.095 0.000 1.093 346 I CB 1.865 39.770 38.000 -0.158 0.000 1.267 346 I HN -0.027 nan 8.210 nan 0.000 0.431 347 N N 4.649 123.226 118.700 -0.206 0.000 2.321 347 N HA 0.517 5.257 4.740 -0.000 0.000 0.299 347 N C -1.815 173.573 175.510 -0.203 0.000 1.048 347 N CA -0.663 52.363 53.050 -0.040 0.000 0.836 347 N CB 1.588 40.096 38.487 0.034 0.000 1.269 347 N HN 0.364 nan 8.380 nan 0.000 0.486 348 W N 1.738 123.125 121.300 0.145 0.000 2.417 348 W HA 0.584 5.243 4.660 -0.001 0.000 0.315 348 W C -0.941 175.735 176.519 0.260 0.000 1.045 348 W CA -0.678 56.767 57.345 0.167 0.000 1.221 348 W CB 1.030 30.607 29.460 0.195 0.000 1.309 348 W HN 0.003 nan 8.180 nan 0.000 0.453 349 V N 5.148 125.262 119.914 0.333 0.000 2.525 349 V HA 0.409 4.529 4.120 -0.000 0.000 0.299 349 V C -2.294 173.889 176.094 0.149 0.000 1.034 349 V CA -2.375 60.031 62.300 0.176 0.000 0.863 349 V CB 2.147 34.057 31.823 0.145 0.000 0.999 349 V HN 0.250 nan 8.190 nan 0.000 0.423 350 P HA 0.434 nan 4.420 nan 0.000 0.281 350 P C -0.822 176.627 177.300 0.247 0.000 1.252 350 P CA -0.044 63.127 63.100 0.117 0.000 0.778 350 P CB 0.745 32.432 31.700 -0.022 0.000 0.895 351 I N -0.386 120.232 120.570 0.079 0.000 2.969 351 I HA 0.475 4.645 4.170 -0.000 0.000 0.307 351 I C 0.364 176.422 176.117 -0.099 0.000 1.149 351 I CA -0.930 60.449 61.300 0.131 0.000 1.008 351 I CB 1.889 39.930 38.000 0.068 0.000 1.232 351 I HN 0.252 nan 8.210 nan 0.000 0.435 352 S N 2.826 118.588 115.700 0.104 0.000 2.412 352 S HA 0.279 4.749 4.470 -0.000 0.000 0.223 352 S C 1.528 176.112 174.600 -0.026 0.000 1.048 352 S CA 1.566 59.816 58.200 0.084 0.000 0.954 352 S CB -0.497 62.980 63.200 0.462 0.000 0.840 352 S HN 1.771 nan 8.310 nan 0.000 0.503 353 G N 0.980 109.766 108.800 -0.023 0.000 3.548 353 G HA2 -0.376 3.583 3.960 -0.000 0.000 0.224 353 G HA3 -0.376 3.583 3.960 -0.000 0.000 0.224 353 G C 0.853 175.684 174.900 -0.115 0.000 1.351 353 G CA 0.648 45.664 45.100 -0.140 0.000 0.905 353 G HN 0.536 nan 8.290 nan 0.000 0.561 354 F N 2.482 122.435 119.950 0.005 0.000 2.043 354 F HA -0.073 4.454 4.527 -0.000 0.000 0.297 354 F C 3.175 178.981 175.800 0.010 0.000 1.118 354 F CA 2.902 60.904 58.000 0.003 0.000 1.202 354 F CB -0.759 38.252 39.000 0.018 0.000 0.965 354 F HN 0.531 nan 8.300 nan 0.000 0.482 355 S N -1.445 114.412 115.700 0.261 0.000 2.503 355 S HA 0.382 4.852 4.470 -0.000 0.000 0.217 355 S C 1.804 176.469 174.600 0.109 0.000 0.999 355 S CA 0.411 58.711 58.200 0.167 0.000 0.914 355 S CB 0.279 63.594 63.200 0.192 0.000 0.782 355 S HN 0.707 nan 8.310 nan 0.000 0.520 356 G N 1.287 110.149 108.800 0.103 0.000 2.176 356 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.253 356 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.253 356 G C -0.147 174.790 174.900 0.062 0.000 0.979 356 G CA 0.210 45.351 45.100 0.068 0.000 0.641 356 G HN 0.744 nan 8.290 nan 0.000 0.530 357 E N 0.349 120.623 120.200 0.123 0.000 2.493 357 E HA 0.377 4.727 4.350 -0.000 0.000 0.255 357 E C 1.575 178.194 176.600 0.032 0.000 0.999 357 E CA 1.219 57.662 56.400 0.072 0.000 0.934 357 E CB -0.469 29.356 29.700 0.208 0.000 0.940 357 E HN 1.529 nan 8.360 nan 0.000 0.473 358 G N 2.587 111.166 108.800 -0.368 0.000 2.213 358 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.236 358 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.236 358 G C 0.722 175.535 174.900 -0.145 0.000 0.991 358 G CA 0.140 44.933 45.100 -0.513 0.000 0.629 358 G HN 0.465 nan 8.290 nan 0.000 0.517 359 V N -0.658 119.223 119.914 -0.055 0.000 2.261 359 V HA 0.198 4.318 4.120 -0.000 0.000 0.235 359 V C 1.677 177.821 176.094 0.084 0.000 1.044 359 V CA 2.187 64.494 62.300 0.012 0.000 1.007 359 V CB -0.477 31.365 31.823 0.032 0.000 0.647 359 V HN 0.543 nan 8.190 nan 0.000 0.462 360 Y N -0.697 119.565 120.300 -0.063 0.000 3.196 360 Y HA 0.208 4.758 4.550 -0.000 0.000 0.151 360 Y C 2.248 178.127 175.900 -0.035 0.000 0.881 360 Y CA -0.245 57.832 58.100 -0.039 0.000 1.879 360 Y CB 0.619 39.059 38.460 -0.033 0.000 1.346 360 Y HN -0.126 nan 8.280 nan 0.000 0.308 361 K N 1.135 121.410 120.400 -0.209 0.000 2.418 361 K HA 0.088 4.408 4.320 -0.000 0.000 0.195 361 K C -0.179 176.330 176.600 -0.151 0.000 1.035 361 K CA 0.461 56.544 56.287 -0.340 0.000 1.003 361 K CB 0.255 32.473 32.500 -0.470 0.000 0.793 361 K HN 0.281 nan 8.250 nan 0.000 0.494 362 I N 0.488 121.006 120.570 -0.088 0.000 2.312 362 I HA 0.159 4.328 4.170 -0.000 0.000 0.290 362 I C -0.614 175.428 176.117 -0.126 0.000 1.008 362 I CA -0.516 60.738 61.300 -0.076 0.000 1.226 362 I CB 1.017 38.999 38.000 -0.029 0.000 1.371 362 I HN -0.073 nan 8.210 nan 0.000 0.468 363 E N 5.082 125.211 120.200 -0.118 0.000 2.374 363 E HA 0.221 4.571 4.350 -0.000 0.000 0.260 363 E C -1.089 175.404 176.600 -0.179 0.000 1.101 363 E CA -0.336 55.977 56.400 -0.145 0.000 0.907 363 E CB 0.312 29.975 29.700 -0.061 0.000 1.014 363 E HN 0.534 nan 8.360 nan 0.000 0.427 364 Y N 0.835 121.084 120.300 -0.086 0.000 2.578 364 Y HA -0.013 4.537 4.550 -0.001 0.000 0.339 364 Y C 1.073 176.838 175.900 -0.224 0.000 1.231 364 Y CA 0.152 58.131 58.100 -0.202 0.000 1.461 364 Y CB 0.254 38.603 38.460 -0.185 0.000 1.323 364 Y HN 0.359 nan 8.280 nan 0.000 0.590 365 T N 2.783 117.247 114.554 -0.150 0.000 2.856 365 T HA -0.055 4.294 4.350 -0.000 0.000 0.306 365 T C 1.045 175.663 174.700 -0.137 0.000 1.062 365 T CA -0.453 61.549 62.100 -0.163 0.000 1.083 365 T CB 0.438 69.160 68.868 -0.242 0.000 0.984 365 T HN 0.622 nan 8.240 nan 0.000 0.542 366 D N 1.395 121.735 120.400 -0.099 0.000 2.123 366 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 366 D C 1.964 178.206 176.300 -0.097 0.000 0.992 366 D CA 1.427 55.377 54.000 -0.084 0.000 0.833 366 D CB 0.154 40.920 40.800 -0.055 0.000 0.954 366 D HN 0.664 nan 8.370 nan 0.000 0.455 367 E N 0.320 120.464 120.200 -0.094 0.000 2.077 367 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 367 E C 2.350 178.903 176.600 -0.079 0.000 0.989 367 E CA 0.665 57.033 56.400 -0.054 0.000 0.800 367 E CB 0.075 29.756 29.700 -0.031 0.000 0.746 367 E HN 0.130 nan 8.360 nan 0.000 0.452 368 V N 1.273 121.043 119.914 -0.240 0.000 2.453 368 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 368 V C 2.187 177.931 176.094 -0.582 0.000 1.048 368 V CA 1.172 63.195 62.300 -0.461 0.000 1.049 368 V CB -0.379 31.035 31.823 -0.681 0.000 0.672 368 V HN 0.127 nan 8.190 nan 0.000 0.457 369 R N 0.891 121.182 120.500 -0.350 0.000 2.193 369 R HA -0.155 4.185 4.340 -0.000 0.000 0.229 369 R C 2.338 178.493 176.300 -0.242 0.000 1.110 369 R CA 1.377 57.302 56.100 -0.292 0.000 0.988 369 R CB -0.614 29.590 30.300 -0.159 0.000 0.871 369 R HN 0.836 nan 8.270 nan 0.000 0.458 370 Q N -0.770 118.937 119.800 -0.155 0.000 2.172 370 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 370 Q C 1.864 177.875 176.000 0.018 0.000 0.964 370 Q CA 1.285 57.059 55.803 -0.048 0.000 0.855 370 Q CB -0.411 28.338 28.738 0.019 0.000 0.918 370 Q HN 0.580 nan 8.270 nan 0.000 0.444 371 W N -0.073 121.185 121.300 -0.070 0.000 2.640 371 W HA 0.208 4.868 4.660 -0.001 0.000 0.271 371 W C -0.007 176.461 176.519 -0.086 0.000 1.218 371 W CA -0.546 56.757 57.345 -0.070 0.000 1.382 371 W CB -0.276 29.151 29.460 -0.055 0.000 1.067 371 W HN -0.077 nan 8.180 nan 0.000 0.590 372 Y N 3.944 123.653 120.300 -0.985 0.000 2.367 372 Y HA 0.268 4.818 4.550 -0.001 0.000 0.342 372 Y C 0.869 176.413 175.900 -0.592 0.000 0.979 372 Y CA -0.033 57.496 58.100 -0.952 0.000 1.161 372 Y CB 0.563 38.073 38.460 -1.583 0.000 1.155 372 Y HN -0.181 nan 8.280 nan 0.000 0.503 373 N N 3.399 121.518 118.700 -0.969 0.000 2.184 373 N HA 0.159 4.899 4.740 -0.000 0.000 0.206 373 N C 0.349 175.409 175.510 -0.751 0.000 1.151 373 N CA 0.283 52.937 53.050 -0.660 0.000 0.878 373 N CB 0.497 38.775 38.487 -0.348 0.000 1.014 373 N HN 0.891 nan 8.380 nan 0.000 0.512 374 G N 0.582 108.496 108.800 -1.477 0.000 2.621 374 G HA2 0.375 4.335 3.960 -0.000 0.000 0.271 374 G HA3 0.375 4.335 3.960 -0.000 0.000 0.271 374 G C -2.537 172.261 174.900 -0.170 0.000 1.236 374 G CA -0.661 43.987 45.100 -0.753 0.000 0.958 374 G HN 0.092 nan 8.290 nan 0.000 0.512 375 P HA 0.166 nan 4.420 nan 0.000 0.276 375 P C -0.218 177.321 177.300 0.399 0.000 1.244 375 P CA -0.735 62.498 63.100 0.222 0.000 0.801 375 P CB 0.837 32.631 31.700 0.155 0.000 1.006 376 N N 1.859 120.767 118.700 0.346 0.000 2.322 376 N HA 0.013 4.753 4.740 -0.000 0.000 0.270 376 N C 0.855 176.459 175.510 0.156 0.000 1.286 376 N CA -0.345 52.876 53.050 0.285 0.000 0.948 376 N CB -0.664 37.864 38.487 0.068 0.000 1.164 376 N HN 0.173 nan 8.380 nan 0.000 0.551 377 L N -0.618 120.651 121.223 0.077 0.000 1.970 377 L HA -0.069 4.270 4.340 -0.000 0.000 0.212 377 L C 2.355 179.176 176.870 -0.082 0.000 1.071 377 L CA 1.920 56.754 54.840 -0.010 0.000 0.751 377 L CB -1.048 40.981 42.059 -0.051 0.000 0.889 377 L HN 0.763 nan 8.230 nan 0.000 0.432 378 M N -0.892 118.642 119.600 -0.110 0.000 2.106 378 M HA -0.209 4.270 4.480 -0.000 0.000 0.259 378 M C 2.263 178.495 176.300 -0.113 0.000 1.068 378 M CA 2.151 57.309 55.300 -0.236 0.000 1.100 378 M CB -0.643 31.691 32.600 -0.442 0.000 1.351 378 M HN 0.327 nan 8.290 nan 0.000 0.404 379 S N -0.659 115.049 115.700 0.013 0.000 2.383 379 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 379 S C 1.835 176.490 174.600 0.090 0.000 1.026 379 S CA 1.681 59.934 58.200 0.088 0.000 0.981 379 S CB -0.742 62.535 63.200 0.127 0.000 0.818 379 S HN 0.608 nan 8.310 nan 0.000 0.472 380 T N 3.263 117.856 114.554 0.065 0.000 2.674 380 T HA -0.005 4.345 4.350 -0.000 0.000 0.265 380 T C 1.792 176.513 174.700 0.035 0.000 1.039 380 T CA 1.061 63.197 62.100 0.059 0.000 1.150 380 T CB -0.579 68.317 68.868 0.047 0.000 0.864 380 T HN 0.219 nan 8.240 nan 0.000 0.427 381 L N 0.702 121.897 121.223 -0.047 0.000 2.013 381 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 381 L C 2.811 179.815 176.870 0.224 0.000 1.073 381 L CA 1.649 56.460 54.840 -0.049 0.000 0.753 381 L CB -0.587 41.246 42.059 -0.377 0.000 0.890 381 L HN 0.364 nan 8.230 nan 0.000 0.432 382 E N -0.371 119.983 120.200 0.256 0.000 2.110 382 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 382 E C 1.876 178.683 176.600 0.346 0.000 0.988 382 E CA 1.387 58.002 56.400 0.359 0.000 0.804 382 E CB -0.144 29.732 29.700 0.292 0.000 0.745 382 E HN 0.399 nan 8.360 nan 0.000 0.458 383 N N 0.663 119.526 118.700 0.271 0.000 2.120 383 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 383 N C 1.651 177.294 175.510 0.222 0.000 1.024 383 N CA 1.512 54.717 53.050 0.259 0.000 0.852 383 N CB -0.164 38.413 38.487 0.151 0.000 1.003 383 N HN 0.144 nan 8.380 nan 0.000 0.424 384 A N 0.524 123.436 122.820 0.153 0.000 1.892 384 A HA -0.084 4.235 4.320 -0.000 0.000 0.218 384 A C 2.373 180.012 177.584 0.092 0.000 1.188 384 A CA 2.253 54.358 52.037 0.113 0.000 0.631 384 A CB -1.445 17.606 19.000 0.083 0.000 0.822 384 A HN 0.442 nan 8.150 nan 0.000 0.447 385 A N -1.387 121.462 122.820 0.049 0.000 1.940 385 A HA -0.067 4.252 4.320 -0.000 0.000 0.219 385 A C 1.968 179.460 177.584 -0.152 0.000 1.176 385 A CA 1.700 53.654 52.037 -0.138 0.000 0.631 385 A CB -0.777 17.979 19.000 -0.406 0.000 0.814 385 A HN 0.481 nan 8.150 nan 0.000 0.446 386 F N 0.187 120.131 119.950 -0.010 0.000 2.134 386 F HA -0.116 4.410 4.527 -0.001 0.000 0.299 386 F C 2.280 178.085 175.800 0.009 0.000 1.097 386 F CA 1.845 59.842 58.000 -0.005 0.000 1.264 386 F CB -0.259 38.744 39.000 0.005 0.000 1.001 386 F HN 0.140 nan 8.300 nan 0.000 0.479 387 K N 0.254 120.770 120.400 0.192 0.000 2.074 387 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 387 K C 2.039 178.691 176.600 0.086 0.000 1.048 387 K CA 1.726 58.086 56.287 0.122 0.000 0.926 387 K CB -0.417 32.143 32.500 0.099 0.000 0.713 387 K HN 0.273 nan 8.250 nan 0.000 0.444 388 I N 0.381 120.989 120.570 0.063 0.000 2.142 388 I HA -0.284 3.885 4.170 -0.000 0.000 0.240 388 I C 2.551 178.692 176.117 0.040 0.000 1.078 388 I CA 0.999 62.327 61.300 0.046 0.000 1.343 388 I CB -0.423 37.597 38.000 0.034 0.000 1.046 388 I HN 0.175 nan 8.210 nan 0.000 0.405 389 S N 0.512 116.222 115.700 0.017 0.000 2.423 389 S HA -0.272 4.197 4.470 -0.000 0.000 0.238 389 S C 2.040 176.677 174.600 0.062 0.000 1.028 389 S CA 1.666 59.878 58.200 0.021 0.000 1.000 389 S CB -0.232 62.956 63.200 -0.018 0.000 0.797 389 S HN 0.308 nan 8.310 nan 0.000 0.487 390 K N 0.465 120.912 120.400 0.080 0.000 1.984 390 K HA -0.088 4.232 4.320 -0.000 0.000 0.209 390 K C 2.154 178.787 176.600 0.055 0.000 1.046 390 K CA 1.507 57.838 56.287 0.074 0.000 0.934 390 K CB -0.251 32.294 32.500 0.075 0.000 0.717 390 K HN 0.457 nan 8.250 nan 0.000 0.438 391 E N 0.880 121.109 120.200 0.049 0.000 2.048 391 E HA -0.269 4.080 4.350 -0.000 0.000 0.202 391 E C 1.757 178.383 176.600 0.043 0.000 1.021 391 E CA 1.758 58.182 56.400 0.041 0.000 0.825 391 E CB -0.899 28.823 29.700 0.038 0.000 0.756 391 E HN 0.479 nan 8.360 nan 0.000 0.454 392 N N 1.233 119.962 118.700 0.048 0.000 2.258 392 N HA -0.198 4.542 4.740 -0.000 0.000 0.187 392 N C 1.809 177.354 175.510 0.059 0.000 1.012 392 N CA 1.171 54.252 53.050 0.053 0.000 0.870 392 N CB -0.204 38.318 38.487 0.059 0.000 0.977 392 N HN 0.432 nan 8.380 nan 0.000 0.434 393 E N 0.345 120.579 120.200 0.057 0.000 2.409 393 E HA -0.074 4.275 4.350 -0.000 0.000 0.198 393 E C 1.906 178.537 176.600 0.053 0.000 1.024 393 E CA 0.871 57.307 56.400 0.059 0.000 0.861 393 E CB -0.158 29.574 29.700 0.054 0.000 0.788 393 E HN 0.298 nan 8.360 nan 0.000 0.521 394 G N 1.687 110.514 108.800 0.045 0.000 2.572 394 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.216 394 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.216 394 G C 0.831 175.755 174.900 0.040 0.000 1.133 394 G CA -0.313 44.810 45.100 0.039 0.000 0.791 394 G HN 0.154 nan 8.290 nan 0.000 0.538 395 I N 1.444 122.042 120.570 0.045 0.000 2.906 395 I HA -0.080 4.090 4.170 -0.000 0.000 0.302 395 I C 0.231 176.372 176.117 0.041 0.000 1.220 395 I CA 0.168 61.494 61.300 0.044 0.000 1.441 395 I CB 0.249 38.280 38.000 0.051 0.000 1.336 395 I HN 0.044 nan 8.210 nan 0.000 0.565 396 N N 4.442 123.163 118.700 0.035 0.000 2.653 396 N HA 0.280 5.020 4.740 -0.000 0.000 0.294 396 N C 0.361 175.887 175.510 0.027 0.000 1.305 396 N CA -0.737 52.332 53.050 0.031 0.000 0.827 396 N CB 1.147 39.653 38.487 0.030 0.000 1.415 396 N HN 0.360 nan 8.380 nan 0.000 0.546 397 K N -0.163 120.251 120.400 0.023 0.000 2.365 397 K HA 0.089 4.409 4.320 -0.000 0.000 0.197 397 K C -0.040 176.577 176.600 0.028 0.000 1.042 397 K CA 0.851 57.149 56.287 0.018 0.000 0.987 397 K CB 0.255 32.763 32.500 0.012 0.000 0.779 397 K HN 0.404 nan 8.250 nan 0.000 0.484 398 D N 1.045 121.464 120.400 0.032 0.000 2.323 398 D HA -0.066 4.574 4.640 -0.000 0.000 0.209 398 D C -0.243 176.084 176.300 0.045 0.000 0.973 398 D CA 0.659 54.683 54.000 0.040 0.000 0.874 398 D CB 0.147 40.969 40.800 0.036 0.000 0.930 398 D HN 0.230 nan 8.370 nan 0.000 0.521 399 D N 2.176 122.598 120.400 0.037 0.000 2.348 399 D HA 0.139 4.779 4.640 -0.000 0.000 0.253 399 D C -2.232 174.081 176.300 0.021 0.000 1.161 399 D CA -1.174 52.843 54.000 0.029 0.000 0.876 399 D CB 1.428 42.244 40.800 0.026 0.000 1.160 399 D HN -0.020 nan 8.370 nan 0.000 0.459 400 P HA 0.059 nan 4.420 nan 0.000 0.271 400 P C -0.397 176.854 177.300 -0.081 0.000 1.216 400 P CA -0.336 62.700 63.100 -0.107 0.000 0.776 400 P CB 0.321 31.787 31.700 -0.390 0.000 0.881 401 F N 4.352 124.201 119.950 -0.169 0.000 2.420 401 F HA 0.446 4.973 4.527 -0.000 0.000 0.352 401 F C -1.009 174.699 175.800 -0.153 0.000 1.108 401 F CA -0.195 57.730 58.000 -0.125 0.000 1.162 401 F CB 0.194 39.143 39.000 -0.084 0.000 1.118 401 F HN 0.095 nan 8.300 nan 0.000 0.510 402 L N 7.565 128.290 121.223 -0.831 0.000 2.408 402 L HA 0.518 4.858 4.340 -0.000 0.000 0.268 402 L C -1.548 174.885 176.870 -0.729 0.000 0.986 402 L CA -0.905 53.513 54.840 -0.704 0.000 0.820 402 L CB 2.311 44.126 42.059 -0.408 0.000 1.303 402 L HN 0.691 nan 8.230 nan 0.000 0.411 403 F N 1.453 120.988 119.950 -0.691 0.000 2.607 403 F HA 0.445 4.971 4.527 -0.001 0.000 0.322 403 F C -0.555 175.108 175.800 -0.228 0.000 1.176 403 F CA -0.257 57.459 58.000 -0.474 0.000 0.977 403 F CB 1.951 40.691 39.000 -0.435 0.000 1.242 403 F HN 0.300 nan 8.300 nan 0.000 0.465 404 S N 4.573 119.892 115.700 -0.634 0.000 2.489 404 S HA 0.431 4.901 4.470 -0.000 0.000 0.277 404 S C -0.533 173.684 174.600 -0.638 0.000 1.230 404 S CA -0.605 57.315 58.200 -0.467 0.000 1.053 404 S CB 1.250 64.243 63.200 -0.345 0.000 0.955 404 S HN 0.436 nan 8.310 nan 0.000 0.488 405 V N 6.235 125.985 119.914 -0.274 0.000 2.470 405 V HA 0.147 4.267 4.120 -0.000 0.000 0.276 405 V C 0.845 176.879 176.094 -0.100 0.000 1.040 405 V CA 0.296 62.519 62.300 -0.129 0.000 1.008 405 V CB 0.513 32.370 31.823 0.056 0.000 0.990 405 V HN 0.868 nan 8.190 nan 0.000 0.477 406 L N 3.298 124.472 121.223 -0.082 0.000 2.642 406 L HA 0.476 4.816 4.340 -0.000 0.000 0.233 406 L C 0.736 177.626 176.870 0.034 0.000 1.077 406 L CA 0.382 55.211 54.840 -0.017 0.000 0.879 406 L CB 0.562 42.620 42.059 -0.001 0.000 1.151 406 L HN 0.655 nan 8.230 nan 0.000 0.495 407 E N 0.500 120.732 120.200 0.054 0.000 2.388 407 E HA 0.339 4.689 4.350 -0.000 0.000 0.289 407 E C -1.662 174.984 176.600 0.077 0.000 0.944 407 E CA -0.556 55.883 56.400 0.065 0.000 0.792 407 E CB 2.245 31.987 29.700 0.070 0.000 1.239 407 E HN -0.079 nan 8.360 nan 0.000 0.412 408 I N 4.543 125.152 120.570 0.064 0.000 2.307 408 I HA 0.266 4.435 4.170 -0.000 0.000 0.289 408 I C -0.272 175.873 176.117 0.048 0.000 1.021 408 I CA -0.352 60.984 61.300 0.060 0.000 1.224 408 I CB 0.816 38.846 38.000 0.051 0.000 1.376 408 I HN 0.448 nan 8.210 nan 0.000 0.470 409 I N 9.220 129.818 120.570 0.047 0.000 2.496 409 I HA 0.225 4.395 4.170 -0.000 0.000 0.285 409 I C -1.682 174.451 176.117 0.026 0.000 1.080 409 I CA -1.230 60.093 61.300 0.038 0.000 1.404 409 I CB -0.123 37.900 38.000 0.039 0.000 1.403 409 I HN 0.431 nan 8.210 nan 0.000 0.539 415 S N 1.803 117.480 115.700 -0.038 0.000 2.659 415 S HA 0.701 5.171 4.470 -0.000 0.000 0.312 415 S C -0.284 174.279 174.600 -0.063 0.000 1.114 415 S CA -0.626 57.541 58.200 -0.055 0.000 1.063 415 S CB 1.413 64.587 63.200 -0.044 0.000 0.996 415 S HN 0.426 nan 8.310 nan 0.000 0.478 416 N N 1.930 120.579 118.700 -0.085 0.000 2.082 416 N HA 0.059 4.799 4.740 -0.000 0.000 0.228 416 N C -1.019 174.410 175.510 -0.136 0.000 1.341 416 N CA 0.019 53.015 53.050 -0.090 0.000 0.873 416 N CB 0.413 38.857 38.487 -0.072 0.000 1.137 416 N HN 0.572 nan 8.380 nan 0.000 0.505 417 D N 0.425 120.713 120.400 -0.186 0.000 2.907 417 D HA -0.180 4.460 4.640 -0.000 0.000 0.226 417 D C -0.311 175.863 176.300 -0.209 0.000 1.141 417 D CA 0.371 54.191 54.000 -0.301 0.000 0.779 417 D CB -1.457 39.063 40.800 -0.468 0.000 1.095 417 D HN 0.230 nan 8.370 nan 0.000 0.430 418 L N 0.142 121.282 121.223 -0.138 0.000 2.467 418 L HA 0.528 4.867 4.340 -0.000 0.000 0.270 418 L C 0.870 177.686 176.870 -0.089 0.000 1.205 418 L CA 0.569 55.349 54.840 -0.099 0.000 0.828 418 L CB 0.868 42.885 42.059 -0.071 0.000 1.101 418 L HN 0.284 nan 8.230 nan 0.000 0.479 419 A N 3.482 126.262 122.820 -0.067 0.000 2.605 419 A HA 0.663 4.983 4.320 -0.000 0.000 0.294 419 A C -1.656 175.913 177.584 -0.025 0.000 1.062 419 A CA -0.609 51.402 52.037 -0.043 0.000 0.682 419 A CB 0.945 19.918 19.000 -0.046 0.000 1.278 419 A HN 0.490 nan 8.150 nan 0.000 0.410 420 L N 1.929 123.150 121.223 -0.003 0.000 2.294 420 L HA 0.570 4.910 4.340 -0.000 0.000 0.283 420 L C -0.989 175.909 176.870 0.046 0.000 1.015 420 L CA -0.846 54.003 54.840 0.015 0.000 0.831 420 L CB 1.583 43.654 42.059 0.020 0.000 1.217 420 L HN 0.461 nan 8.230 nan 0.000 0.420 421 V N 2.125 122.080 119.914 0.068 0.000 2.378 421 V HA 0.358 4.478 4.120 -0.000 0.000 0.288 421 V C 0.120 176.357 176.094 0.238 0.000 1.016 421 V CA -0.406 61.979 62.300 0.141 0.000 0.840 421 V CB 1.743 33.660 31.823 0.157 0.000 0.994 421 V HN 0.717 nan 8.190 nan 0.000 0.431 422 S N 2.955 118.787 115.700 0.220 0.000 2.541 422 S HA 0.907 5.377 4.470 -0.000 0.000 0.283 422 S C 0.471 175.179 174.600 0.179 0.000 1.196 422 S CA 0.101 58.445 58.200 0.240 0.000 1.062 422 S CB 1.686 64.980 63.200 0.157 0.000 1.009 422 S HN 1.189 nan 8.310 nan 0.000 0.502 423 G N 1.604 110.457 108.800 0.088 0.000 2.494 423 G HA2 0.503 4.463 3.960 -0.000 0.000 0.308 423 G HA3 0.503 4.463 3.960 -0.000 0.000 0.308 423 G C -1.935 172.597 174.900 -0.615 0.000 1.263 423 G CA -0.680 44.089 45.100 -0.552 0.000 0.840 423 G HN 0.600 nan 8.290 nan 0.000 0.479 424 K N -0.035 119.794 120.400 -0.951 0.000 2.397 424 K HA 0.631 4.950 4.320 -0.000 0.000 0.253 424 K C -1.050 175.221 176.600 -0.547 0.000 0.932 424 K CA -0.758 55.041 56.287 -0.813 0.000 0.795 424 K CB 1.715 33.584 32.500 -1.052 0.000 1.159 424 K HN 0.242 nan 8.250 nan 0.000 0.424 425 L N 3.981 125.074 121.223 -0.217 0.000 2.410 425 L HA 0.099 4.438 4.340 -0.000 0.000 0.273 425 L C 1.135 177.896 176.870 -0.183 0.000 1.144 425 L CA 0.564 55.346 54.840 -0.096 0.000 0.863 425 L CB 0.875 42.970 42.059 0.061 0.000 1.140 425 L HN 0.706 nan 8.230 nan 0.000 0.463 426 E N 0.835 120.907 120.200 -0.214 0.000 2.481 426 E HA 0.193 4.543 4.350 -0.000 0.000 0.198 426 E C -0.091 176.430 176.600 -0.132 0.000 1.027 426 E CA 0.117 56.417 56.400 -0.165 0.000 0.900 426 E CB 0.926 30.520 29.700 -0.177 0.000 0.993 426 E HN 0.489 nan 8.360 nan 0.000 0.482 427 S N -1.293 114.318 115.700 -0.148 0.000 2.580 427 S HA 0.490 4.960 4.470 -0.000 0.000 0.281 427 S C 0.028 174.600 174.600 -0.047 0.000 1.129 427 S CA 0.126 58.261 58.200 -0.108 0.000 0.862 427 S CB 0.966 64.067 63.200 -0.165 0.000 1.090 427 S HN 0.355 nan 8.310 nan 0.000 0.451 428 G N 2.849 111.656 108.800 0.011 0.000 2.552 428 G HA2 -0.019 3.940 3.960 -0.000 0.000 0.265 428 G HA3 -0.019 3.940 3.960 -0.000 0.000 0.265 428 G C -0.002 174.971 174.900 0.122 0.000 1.234 428 G CA 0.607 45.751 45.100 0.073 0.000 0.944 428 G HN 2.268 nan 8.290 nan 0.000 0.568 429 S N -1.598 114.194 115.700 0.153 0.000 2.638 429 S HA 0.774 5.244 4.470 -0.000 0.000 0.274 429 S C -1.076 173.490 174.600 -0.056 0.000 1.157 429 S CA 0.045 58.286 58.200 0.070 0.000 0.826 429 S CB 2.459 65.637 63.200 -0.036 0.000 1.139 429 S HN 2.116 nan 8.310 nan 0.000 0.474 430 I N 0.534 120.966 120.570 -0.229 0.000 2.692 430 I HA 0.485 4.655 4.170 -0.000 0.000 0.293 430 I C -1.600 174.301 176.117 -0.360 0.000 1.200 430 I CA -0.245 60.767 61.300 -0.479 0.000 1.036 430 I CB 2.166 39.630 38.000 -0.893 0.000 1.258 430 I HN 0.902 nan 8.210 nan 0.000 0.421 431 Q N 6.972 126.577 119.800 -0.326 0.000 2.433 431 Q HA 0.578 4.917 4.340 -0.000 0.000 0.279 431 Q C -2.585 173.278 176.000 -0.229 0.000 1.105 431 Q CA -2.153 53.488 55.803 -0.270 0.000 0.815 431 Q CB 1.713 30.320 28.738 -0.217 0.000 1.403 431 Q HN 0.325 nan 8.270 nan 0.000 0.435 432 P HA -0.009 nan 4.420 nan 0.000 0.264 432 P C 0.499 177.728 177.300 -0.118 0.000 1.193 432 P CA 1.175 64.187 63.100 -0.147 0.000 0.763 432 P CB 0.455 32.086 31.700 -0.115 0.000 0.810 433 G N 1.967 110.699 108.800 -0.113 0.000 2.284 433 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 433 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 433 G C 0.131 174.972 174.900 -0.098 0.000 1.009 433 G CA -0.376 44.670 45.100 -0.089 0.000 0.625 433 G HN 0.529 nan 8.290 nan 0.000 0.501 434 E N 0.811 120.929 120.200 -0.137 0.000 2.371 434 E HA 0.597 4.947 4.350 -0.000 0.000 0.257 434 E C -0.063 176.447 176.600 -0.151 0.000 1.134 434 E CA 0.201 56.512 56.400 -0.148 0.000 0.919 434 E CB 1.012 30.587 29.700 -0.208 0.000 1.025 434 E HN 0.258 nan 8.360 nan 0.000 0.438 435 S N 0.145 115.775 115.700 -0.117 0.000 2.704 435 S HA 0.667 5.137 4.470 -0.000 0.000 0.305 435 S C -0.904 173.644 174.600 -0.087 0.000 1.107 435 S CA -0.796 57.355 58.200 -0.082 0.000 0.993 435 S CB 0.904 64.100 63.200 -0.008 0.000 1.110 435 S HN 0.399 nan 8.310 nan 0.000 0.534 436 L N -1.543 119.660 121.223 -0.035 0.000 2.568 436 L HA 0.829 5.169 4.340 -0.000 0.000 0.257 436 L C -0.790 176.103 176.870 0.040 0.000 1.024 436 L CA -0.595 54.268 54.840 0.039 0.000 0.854 436 L CB 1.162 43.265 42.059 0.073 0.000 1.460 436 L HN 0.471 nan 8.230 nan 0.000 0.409 437 T N 1.459 116.045 114.554 0.054 0.000 2.829 437 T HA 0.767 5.117 4.350 -0.000 0.000 0.280 437 T C -0.311 174.281 174.700 -0.180 0.000 0.999 437 T CA -0.120 61.918 62.100 -0.103 0.000 0.983 437 T CB 1.211 69.965 68.868 -0.190 0.000 0.968 437 T HN 0.534 nan 8.240 nan 0.000 0.446 438 I N 3.117 123.531 120.570 -0.260 0.000 2.336 438 I HA 0.405 4.575 4.170 -0.000 0.000 0.292 438 I C -0.871 175.044 176.117 -0.336 0.000 0.991 438 I CA -0.880 60.320 61.300 -0.167 0.000 1.227 438 I CB 0.842 38.807 38.000 -0.058 0.000 1.366 438 I HN 0.569 nan 8.210 nan 0.000 0.466 439 Y N 6.964 127.295 120.300 0.050 0.000 2.420 439 Y HA 0.353 4.903 4.550 -0.000 0.000 0.334 439 Y C -1.595 174.340 175.900 0.059 0.000 1.094 439 Y CA -1.964 56.164 58.100 0.047 0.000 1.126 439 Y CB 1.001 39.478 38.460 0.028 0.000 1.217 439 Y HN 0.411 nan 8.280 nan 0.000 0.462 440 P HA -0.054 nan 4.420 nan 0.000 0.245 440 P C 1.062 178.464 177.300 0.169 0.000 1.203 440 P CA 0.925 64.174 63.100 0.249 0.000 0.792 440 P CB 0.325 32.184 31.700 0.264 0.000 0.997 441 S N 0.585 116.343 115.700 0.095 0.000 2.442 441 S HA -0.153 4.317 4.470 -0.000 0.000 0.236 441 S C 0.997 175.630 174.600 0.055 0.000 1.007 441 S CA 0.668 58.923 58.200 0.092 0.000 0.965 441 S CB -1.211 61.984 63.200 -0.009 0.000 0.773 441 S HN 0.231 nan 8.310 nan 0.000 0.504 442 E N 0.832 120.965 120.200 -0.112 0.000 2.513 442 E HA -0.222 4.128 4.350 -0.000 0.000 0.257 442 E C -0.238 176.274 176.600 -0.146 0.000 1.098 442 E CA 0.785 57.049 56.400 -0.227 0.000 0.752 442 E CB -1.956 27.718 29.700 -0.042 0.000 1.324 442 E HN 1.014 nan 8.360 nan 0.000 0.403 443 Q N -0.385 119.305 119.800 -0.185 0.000 2.256 443 Q HA 0.583 4.923 4.340 -0.000 0.000 0.254 443 Q C -0.515 175.436 176.000 -0.082 0.000 0.916 443 Q CA -0.506 55.221 55.803 -0.127 0.000 0.932 443 Q CB 1.751 30.277 28.738 -0.353 0.000 1.207 443 Q HN -0.073 nan 8.270 nan 0.000 0.426 444 S N 1.983 117.711 115.700 0.045 0.000 2.508 444 S HA 0.520 4.989 4.470 -0.000 0.000 0.284 444 S C -0.740 173.944 174.600 0.140 0.000 1.192 444 S CA -0.572 57.683 58.200 0.092 0.000 1.070 444 S CB 0.719 64.009 63.200 0.150 0.000 1.004 444 S HN 0.718 nan 8.310 nan 0.000 0.493 445 C N 2.744 122.078 119.300 0.057 0.000 3.044 445 C HA 0.649 5.109 4.460 -0.000 0.000 0.315 445 C C -0.372 174.604 174.990 -0.023 0.000 1.320 445 C CA -0.911 58.115 59.018 0.014 0.000 1.582 445 C CB 0.756 28.483 27.740 -0.020 0.000 2.039 445 C HN 0.764 nan 8.230 nan 0.000 0.466 446 I N 1.526 122.063 120.570 -0.055 0.000 2.474 446 I HA 0.474 4.644 4.170 -0.000 0.000 0.294 446 I C -0.329 175.726 176.117 -0.104 0.000 1.005 446 I CA -0.477 60.775 61.300 -0.079 0.000 1.113 446 I CB 1.665 39.620 38.000 -0.075 0.000 1.289 446 I HN 0.430 nan 8.210 nan 0.000 0.436 447 V N 6.344 126.176 119.914 -0.137 0.000 2.383 447 V HA 0.302 4.421 4.120 -0.000 0.000 0.275 447 V C 0.350 176.366 176.094 -0.130 0.000 1.036 447 V CA -0.106 62.102 62.300 -0.153 0.000 0.889 447 V CB 1.261 32.951 31.823 -0.222 0.000 0.985 447 V HN 0.917 nan 8.190 nan 0.000 0.459 448 D N 4.515 124.851 120.400 -0.106 0.000 2.433 448 D HA 0.205 4.844 4.640 -0.000 0.000 0.211 448 D C 0.114 176.365 176.300 -0.082 0.000 1.114 448 D CA -0.141 53.806 54.000 -0.087 0.000 0.837 448 D CB 0.641 41.399 40.800 -0.069 0.000 0.984 448 D HN 0.552 nan 8.370 nan 0.000 0.505 449 K N 0.077 120.422 120.400 -0.091 0.000 2.542 449 K HA 0.516 4.836 4.320 -0.000 0.000 0.259 449 K C -1.342 175.196 176.600 -0.102 0.000 0.932 449 K CA -0.516 55.720 56.287 -0.085 0.000 0.820 449 K CB 2.802 35.269 32.500 -0.055 0.000 1.345 449 K HN -0.096 nan 8.250 nan 0.000 0.432 450 I N 3.580 124.086 120.570 -0.108 0.000 2.411 450 I HA 0.205 4.375 4.170 -0.000 0.000 0.284 450 I C -0.554 175.512 176.117 -0.086 0.000 1.012 450 I CA -0.766 60.469 61.300 -0.108 0.000 1.119 450 I CB 1.656 39.572 38.000 -0.141 0.000 1.261 450 I HN 0.413 nan 8.210 nan 0.000 0.448 451 Q N 5.782 125.547 119.800 -0.059 0.000 2.256 451 Q HA 0.748 5.088 4.340 -0.000 0.000 0.257 451 Q C -0.922 175.047 176.000 -0.051 0.000 0.936 451 Q CA -0.701 55.069 55.803 -0.055 0.000 0.903 451 Q CB 3.173 31.891 28.738 -0.033 0.000 1.263 451 Q HN 0.466 nan 8.270 nan 0.000 0.440 452 V N 1.098 120.966 119.914 -0.077 0.000 3.155 452 V HA 0.837 4.957 4.120 -0.000 0.000 0.313 452 V C -0.030 175.974 176.094 -0.151 0.000 1.162 452 V CA 0.543 62.778 62.300 -0.108 0.000 1.048 452 V CB 1.713 33.474 31.823 -0.102 0.000 1.092 452 V HN 1.134 nan 8.190 nan 0.000 0.447 453 G N 2.092 110.728 108.800 -0.274 0.000 2.828 453 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.463 453 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.463 453 G C 0.664 175.404 174.900 -0.267 0.000 1.394 453 G CA 0.178 45.100 45.100 -0.297 0.000 0.862 453 G HN 1.622 nan 8.290 nan 0.000 0.540 454 S N -0.371 115.271 115.700 -0.098 0.000 2.407 454 S HA -0.221 4.249 4.470 -0.000 0.000 0.235 454 S C 2.174 176.793 174.600 0.032 0.000 1.036 454 S CA 2.318 60.553 58.200 0.058 0.000 1.013 454 S CB -0.279 62.981 63.200 0.100 0.000 0.820 454 S HN 0.683 nan 8.310 nan 0.000 0.476 455 Q N 1.306 121.107 119.800 0.002 0.000 2.124 455 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 455 Q C 1.448 177.456 176.000 0.013 0.000 0.977 455 Q CA 0.800 56.612 55.803 0.015 0.000 0.850 455 Q CB -0.300 28.446 28.738 0.012 0.000 0.901 455 Q HN 0.815 nan 8.270 nan 0.000 0.429 463 E N 1.719 121.824 120.200 -0.158 0.000 2.174 463 E HA 0.264 4.614 4.350 -0.000 0.000 0.282 463 E C -0.692 175.794 176.600 -0.190 0.000 0.992 463 E CA -0.309 55.975 56.400 -0.193 0.000 0.803 463 E CB 1.532 31.174 29.700 -0.096 0.000 1.090 463 E HN 0.387 nan 8.360 nan 0.000 0.396 464 E N 2.265 122.335 120.200 -0.215 0.000 2.343 464 E HA 0.142 4.492 4.350 -0.000 0.000 0.260 464 E C -0.912 175.616 176.600 -0.119 0.000 0.908 464 E CA -0.451 55.852 56.400 -0.162 0.000 0.814 464 E CB 1.615 31.206 29.700 -0.183 0.000 1.302 464 E HN 0.499 nan 8.360 nan 0.000 0.408 465 T N -0.955 113.539 114.554 -0.100 0.000 2.874 465 T HA 0.251 4.601 4.350 -0.000 0.000 0.281 465 T C 0.416 175.015 174.700 -0.168 0.000 0.994 465 T CA -0.660 61.385 62.100 -0.093 0.000 1.015 465 T CB 1.298 70.137 68.868 -0.050 0.000 1.028 465 T HN 0.154 nan 8.240 nan 0.000 0.523 466 D N 0.004 120.251 120.400 -0.254 0.000 2.369 466 D HA 0.285 4.924 4.640 -0.000 0.000 0.211 466 D C -0.209 175.757 176.300 -0.557 0.000 1.077 466 D CA 0.199 53.990 54.000 -0.350 0.000 0.842 466 D CB 0.497 41.108 40.800 -0.315 0.000 0.947 466 D HN 0.338 nan 8.370 nan 0.000 0.509 467 V N 0.542 120.056 119.914 -0.666 0.000 2.808 467 V HA 0.716 4.836 4.120 -0.000 0.000 0.308 467 V C -0.661 175.129 176.094 -0.506 0.000 1.099 467 V CA -1.119 60.708 62.300 -0.789 0.000 0.920 467 V CB 2.121 33.019 31.823 -1.540 0.000 1.014 467 V HN 0.039 nan 8.190 nan 0.000 0.425 468 A N 5.247 127.884 122.820 -0.306 0.000 2.374 468 A HA 1.023 5.342 4.320 -0.000 0.000 0.317 468 A C -0.793 176.758 177.584 -0.054 0.000 1.094 468 A CA -0.638 51.326 52.037 -0.122 0.000 0.765 468 A CB 1.690 20.655 19.000 -0.058 0.000 1.268 468 A HN 1.230 nan 8.150 nan 0.000 0.438 469 I N -1.451 119.133 120.570 0.024 0.000 3.174 469 I HA 0.559 4.729 4.170 -0.000 0.000 0.313 469 I C -0.180 175.971 176.117 0.056 0.000 1.155 469 I CA -1.147 60.187 61.300 0.057 0.000 0.977 469 I CB 1.922 39.972 38.000 0.084 0.000 1.248 469 I HN 0.753 nan 8.210 nan 0.000 0.453 470 K N 1.914 122.344 120.400 0.051 0.000 2.511 470 K HA 0.130 4.450 4.320 -0.000 0.000 0.277 470 K C 0.895 177.508 176.600 0.022 0.000 1.025 470 K CA 1.835 58.133 56.287 0.018 0.000 1.112 470 K CB -0.207 32.301 32.500 0.013 0.000 0.859 470 K HN 1.127 nan 8.250 nan 0.000 0.485 471 G N 3.271 112.064 108.800 -0.012 0.000 2.308 471 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.221 471 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.221 471 G C -0.420 174.488 174.900 0.013 0.000 1.032 471 G CA 0.105 45.233 45.100 0.047 0.000 0.623 471 G HN 0.735 nan 8.290 nan 0.000 0.506 472 D N 0.763 121.119 120.400 -0.073 0.000 2.455 472 D HA 0.435 5.075 4.640 -0.000 0.000 0.241 472 D C 0.077 176.312 176.300 -0.107 0.000 1.138 472 D CA 0.344 54.253 54.000 -0.152 0.000 0.877 472 D CB 0.237 40.986 40.800 -0.084 0.000 1.187 472 D HN 0.175 nan 8.370 nan 0.000 0.451 473 F N 1.548 121.432 119.950 -0.111 0.000 2.391 473 F HA 0.316 4.843 4.527 -0.000 0.000 0.359 473 F C 0.786 176.583 175.800 -0.004 0.000 1.122 473 F CA -0.529 57.479 58.000 0.012 0.000 1.120 473 F CB 0.983 40.069 39.000 0.144 0.000 1.142 473 F HN 0.046 nan 8.300 nan 0.000 0.483 474 V N -0.004 120.029 119.914 0.199 0.000 3.182 474 V HA 0.724 4.843 4.120 -0.000 0.000 0.308 474 V C -0.778 175.437 176.094 0.201 0.000 1.240 474 V CA -0.735 61.652 62.300 0.144 0.000 1.063 474 V CB 2.026 33.902 31.823 0.089 0.000 1.076 474 V HN 0.486 nan 8.190 nan 0.000 0.446 475 T N 3.002 117.623 114.554 0.112 0.000 2.809 475 T HA 0.653 5.003 4.350 -0.000 0.000 0.284 475 T C -0.488 174.228 174.700 0.027 0.000 0.992 475 T CA -0.226 61.938 62.100 0.107 0.000 0.957 475 T CB 0.839 69.751 68.868 0.074 0.000 0.942 475 T HN 0.672 nan 8.240 nan 0.000 0.439 476 L N 3.362 124.582 121.223 -0.004 0.000 2.276 476 L HA 0.482 4.821 4.340 -0.000 0.000 0.286 476 L C 0.585 177.414 176.870 -0.068 0.000 1.061 476 L CA -0.783 53.994 54.840 -0.106 0.000 0.807 476 L CB 0.917 42.825 42.059 -0.252 0.000 1.177 476 L HN 0.433 nan 8.230 nan 0.000 0.429 477 K N 5.191 125.547 120.400 -0.073 0.000 2.284 477 K HA 0.462 4.781 4.320 -0.000 0.000 0.287 477 K C -1.053 175.499 176.600 -0.080 0.000 1.081 477 K CA -0.404 55.847 56.287 -0.060 0.000 0.910 477 K CB 0.478 32.949 32.500 -0.049 0.000 1.088 477 K HN 0.558 nan 8.250 nan 0.000 0.478 478 L N 4.606 125.784 121.223 -0.075 0.000 2.309 478 L HA 0.489 4.829 4.340 -0.000 0.000 0.282 478 L C 0.308 177.128 176.870 -0.084 0.000 1.036 478 L CA -0.979 53.810 54.840 -0.085 0.000 0.806 478 L CB 1.635 43.648 42.059 -0.078 0.000 1.220 478 L HN 0.566 nan 8.230 nan 0.000 0.429 479 R N 1.977 122.426 120.500 -0.086 0.000 2.428 479 R HA 0.249 4.589 4.340 -0.000 0.000 0.294 479 R C -0.003 176.243 176.300 -0.089 0.000 1.000 479 R CA -0.559 55.486 56.100 -0.091 0.000 0.960 479 R CB 0.819 31.068 30.300 -0.085 0.000 1.076 479 R HN 0.506 nan 8.270 nan 0.000 0.475 480 K N 0.377 120.709 120.400 -0.114 0.000 3.218 480 K HA -0.181 4.138 4.320 -0.000 0.000 0.276 480 K C -1.611 174.975 176.600 -0.023 0.000 1.173 480 K CA 0.623 56.861 56.287 -0.082 0.000 0.812 480 K CB -0.867 31.601 32.500 -0.053 0.000 1.275 480 K HN 0.678 nan 8.250 nan 0.000 0.504 481 A N 0.788 123.511 122.820 -0.161 0.000 2.337 481 A HA 0.715 5.034 4.320 -0.000 0.000 0.331 481 A C -1.248 176.183 177.584 -0.255 0.000 1.137 481 A CA -0.522 51.470 52.037 -0.075 0.000 0.807 481 A CB 0.644 19.603 19.000 -0.069 0.000 1.250 481 A HN 0.301 nan 8.150 nan 0.000 0.468 482 Y N 1.620 121.838 120.300 -0.136 0.000 2.646 482 Y HA 0.361 4.911 4.550 -0.000 0.000 0.334 482 Y C -2.092 173.759 175.900 -0.082 0.000 1.004 482 Y CA -2.239 55.809 58.100 -0.086 0.000 1.301 482 Y CB 1.414 39.835 38.460 -0.065 0.000 1.093 482 Y HN 0.516 nan 8.280 nan 0.000 0.530 483 P HA -0.148 nan 4.420 nan 0.000 0.221 483 P C 0.782 178.121 177.300 0.065 0.000 1.145 483 P CA 1.381 64.505 63.100 0.040 0.000 0.795 483 P CB 0.460 32.172 31.700 0.021 0.000 0.775 484 E N -0.373 119.888 120.200 0.102 0.000 2.171 484 E HA -0.169 4.181 4.350 -0.000 0.000 0.197 484 E C 0.866 177.528 176.600 0.103 0.000 0.997 484 E CA 1.197 57.663 56.400 0.109 0.000 0.810 484 E CB -0.694 29.098 29.700 0.154 0.000 0.738 484 E HN 0.322 nan 8.360 nan 0.000 0.467 485 D N -0.307 120.152 120.400 0.099 0.000 2.670 485 D HA 0.223 4.863 4.640 -0.000 0.000 0.255 485 D C -0.424 175.895 176.300 0.032 0.000 1.286 485 D CA -0.034 54.014 54.000 0.081 0.000 0.830 485 D CB 0.447 41.328 40.800 0.135 0.000 1.065 485 D HN 0.132 nan 8.370 nan 0.000 0.486 486 I N 1.076 121.667 120.570 0.035 0.000 2.418 486 I HA 0.252 4.422 4.170 -0.000 0.000 0.287 486 I C -0.096 176.049 176.117 0.047 0.000 1.008 486 I CA -0.516 60.805 61.300 0.035 0.000 1.104 486 I CB 1.913 39.931 38.000 0.030 0.000 1.264 486 I HN -0.378 nan 8.210 nan 0.000 0.438 487 Q N 3.739 123.570 119.800 0.051 0.000 2.433 487 Q HA 0.424 4.763 4.340 -0.000 0.000 0.279 487 Q C -0.899 175.128 176.000 0.045 0.000 1.105 487 Q CA -1.229 54.601 55.803 0.046 0.000 0.815 487 Q CB 2.160 30.924 28.738 0.042 0.000 1.403 487 Q HN 0.451 nan 8.270 nan 0.000 0.435 488 N N 0.360 119.083 118.700 0.038 0.000 2.356 488 N HA 0.114 4.854 4.740 -0.000 0.000 0.252 488 N C 0.804 176.330 175.510 0.026 0.000 1.241 488 N CA 1.662 54.731 53.050 0.030 0.000 0.861 488 N CB 0.523 39.029 38.487 0.031 0.000 1.075 488 N HN 0.921 nan 8.380 nan 0.000 0.461 489 G N 1.000 109.808 108.800 0.013 0.000 2.213 489 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.236 489 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.236 489 G C -0.151 174.762 174.900 0.023 0.000 0.991 489 G CA -0.105 45.003 45.100 0.013 0.000 0.629 489 G HN 0.583 nan 8.290 nan 0.000 0.517 490 D N -0.009 120.415 120.400 0.040 0.000 2.368 490 D HA 0.546 5.186 4.640 -0.000 0.000 0.240 490 D C 0.147 176.488 176.300 0.068 0.000 1.169 490 D CA 0.079 54.122 54.000 0.071 0.000 0.906 490 D CB 1.411 42.262 40.800 0.085 0.000 1.187 490 D HN 0.268 nan 8.370 nan 0.000 0.435 491 L N 0.858 122.151 121.223 0.116 0.000 2.362 491 L HA 0.668 5.008 4.340 -0.000 0.000 0.275 491 L C -1.101 175.902 176.870 0.222 0.000 0.998 491 L CA -0.760 54.148 54.840 0.114 0.000 0.820 491 L CB 1.345 43.449 42.059 0.074 0.000 1.270 491 L HN 0.402 nan 8.230 nan 0.000 0.415 492 A N 3.615 126.560 122.820 0.209 0.000 2.355 492 A HA 1.036 5.356 4.320 -0.000 0.000 0.324 492 A C -0.921 176.755 177.584 0.153 0.000 1.117 492 A CA 0.105 52.290 52.037 0.247 0.000 0.785 492 A CB 1.531 20.708 19.000 0.295 0.000 1.254 492 A HN 1.230 nan 8.150 nan 0.000 0.453 493 A N 0.318 123.300 122.820 0.270 0.000 2.583 493 A HA 0.783 5.103 4.320 -0.000 0.000 0.289 493 A C 0.063 177.864 177.584 0.362 0.000 1.151 493 A CA -0.401 51.769 52.037 0.221 0.000 0.695 493 A CB 0.369 19.495 19.000 0.209 0.000 1.290 493 A HN 1.252 nan 8.150 nan 0.000 0.419 494 S N -0.069 115.819 115.700 0.314 0.000 2.554 494 S HA 0.167 4.637 4.470 -0.000 0.000 0.290 494 S C 1.751 176.487 174.600 0.227 0.000 1.309 494 S CA 0.189 58.530 58.200 0.235 0.000 1.047 494 S CB 0.819 64.125 63.200 0.177 0.000 0.828 494 S HN 1.703 nan 8.310 nan 0.000 0.509 495 V N -0.349 119.655 119.914 0.150 0.000 2.759 495 V HA -0.081 4.039 4.120 -0.000 0.000 0.256 495 V C 1.184 177.359 176.094 0.134 0.000 1.080 495 V CA 1.631 64.007 62.300 0.127 0.000 1.101 495 V CB -0.744 31.123 31.823 0.073 0.000 0.698 495 V HN 0.890 nan 8.190 nan 0.000 0.477 496 D N -1.597 118.889 120.400 0.143 0.000 2.388 496 D HA 0.075 4.714 4.640 -0.000 0.000 0.221 496 D C 0.125 176.522 176.300 0.161 0.000 1.133 496 D CA -0.372 53.699 54.000 0.119 0.000 0.831 496 D CB -0.374 40.479 40.800 0.089 0.000 0.962 496 D HN 0.635 nan 8.370 nan 0.000 0.502 497 Y N 1.704 122.039 120.300 0.058 0.000 2.331 497 Y HA 0.388 4.938 4.550 -0.000 0.000 0.338 497 Y C 0.241 176.137 175.900 -0.007 0.000 0.976 497 Y CA -0.702 57.415 58.100 0.028 0.000 1.137 497 Y CB 1.658 40.141 38.460 0.038 0.000 1.172 497 Y HN -0.050 nan 8.280 nan 0.000 0.478 498 S N 1.397 116.810 115.700 -0.480 0.000 2.751 498 S HA 0.180 4.650 4.470 -0.000 0.000 0.247 498 S C 0.217 174.462 174.600 -0.592 0.000 1.103 498 S CA -0.367 57.599 58.200 -0.390 0.000 1.090 498 S CB 0.353 63.451 63.200 -0.170 0.000 0.928 498 S HN 0.515 nan 8.310 nan 0.000 0.502 499 S N 1.307 116.458 115.700 -0.914 0.000 2.535 499 S HA 0.398 4.868 4.470 -0.000 0.000 0.214 499 S C 0.572 174.782 174.600 -0.650 0.000 0.980 499 S CA -0.348 57.465 58.200 -0.646 0.000 0.907 499 S CB -0.122 62.745 63.200 -0.555 0.000 0.790 499 S HN 0.605 nan 8.310 nan 0.000 0.510 500 I N 2.482 122.594 120.570 -0.765 0.000 2.519 500 I HA 0.291 4.461 4.170 -0.000 0.000 0.287 500 I C 0.075 175.584 176.117 -1.013 0.000 1.047 500 I CA -0.113 60.753 61.300 -0.724 0.000 1.381 500 I CB 0.532 38.054 38.000 -0.796 0.000 1.417 500 I HN 0.198 nan 8.210 nan 0.000 0.540 501 H N 2.938 121.847 119.070 -0.269 0.000 3.046 501 H HA 0.346 4.902 4.556 -0.000 0.000 0.361 501 H C -1.159 174.074 175.328 -0.157 0.000 1.235 501 H CA -0.763 55.165 56.048 -0.201 0.000 1.146 501 H CB 2.103 31.764 29.762 -0.169 0.000 1.859 501 H HN 0.421 nan 8.280 nan 0.000 0.548 502 S N 0.715 116.391 115.700 -0.040 0.000 2.508 502 S HA 0.756 5.225 4.470 -0.000 0.000 0.284 502 S C -0.156 174.282 174.600 -0.270 0.000 1.192 502 S CA -0.569 57.550 58.200 -0.135 0.000 1.070 502 S CB 1.403 64.442 63.200 -0.269 0.000 1.004 502 S HN 0.729 nan 8.310 nan 0.000 0.493 503 A N 2.068 124.801 122.820 -0.144 0.000 2.572 503 A HA 0.571 4.891 4.320 -0.000 0.000 0.295 503 A C 0.347 178.031 177.584 0.166 0.000 1.072 503 A CA -0.531 51.452 52.037 -0.090 0.000 0.691 503 A CB 1.204 20.242 19.000 0.063 0.000 1.291 503 A HN 0.624 nan 8.150 nan 0.000 0.404 504 Q N -0.393 119.500 119.800 0.155 0.000 2.163 504 Q HA 0.065 4.405 4.340 -0.000 0.000 0.198 504 Q C -0.065 176.055 176.000 0.201 0.000 0.954 504 Q CA 1.303 57.295 55.803 0.315 0.000 0.851 504 Q CB 0.158 29.048 28.738 0.253 0.000 0.928 504 Q HN 0.807 nan 8.270 nan 0.000 0.459 505 C N 0.434 119.822 119.300 0.146 0.000 2.563 505 C HA 0.744 5.204 4.460 -0.000 0.000 0.314 505 C C -0.511 174.567 174.990 0.147 0.000 1.199 505 C CA -1.065 57.959 59.018 0.010 0.000 1.564 505 C CB 0.714 28.441 27.740 -0.021 0.000 2.173 505 C HN 0.369 nan 8.230 nan 0.000 0.485 506 F N -0.583 119.388 119.950 0.035 0.000 2.779 506 F HA 0.818 5.345 4.527 -0.000 0.000 0.316 506 F C -1.247 174.581 175.800 0.046 0.000 1.164 506 F CA -1.268 56.748 58.000 0.028 0.000 0.924 506 F CB 0.536 39.554 39.000 0.030 0.000 1.348 506 F HN 0.250 nan 8.300 nan 0.000 0.467 507 V N 2.674 122.740 119.914 0.253 0.000 2.435 507 V HA 0.521 4.641 4.120 -0.000 0.000 0.290 507 V C -0.267 175.989 176.094 0.271 0.000 1.030 507 V CA -0.689 61.712 62.300 0.169 0.000 0.881 507 V CB 1.476 33.373 31.823 0.123 0.000 0.983 507 V HN 0.645 nan 8.190 nan 0.000 0.445 508 L N 3.445 124.796 121.223 0.214 0.000 2.317 508 L HA 0.535 4.875 4.340 -0.000 0.000 0.281 508 L C 0.319 177.301 176.870 0.187 0.000 1.024 508 L CA -0.451 54.511 54.840 0.204 0.000 0.810 508 L CB 1.895 44.034 42.059 0.133 0.000 1.240 508 L HN 0.679 nan 8.230 nan 0.000 0.427 509 E N 3.229 123.521 120.200 0.154 0.000 2.104 509 E HA 0.212 4.562 4.350 -0.000 0.000 0.278 509 E C -1.270 175.247 176.600 -0.138 0.000 1.127 509 E CA -0.608 55.734 56.400 -0.097 0.000 0.897 509 E CB 0.811 30.498 29.700 -0.023 0.000 1.043 509 E HN 0.291 nan 8.360 nan 0.000 0.410 510 L N 4.492 125.588 121.223 -0.212 0.000 2.295 510 L HA 0.341 4.680 4.340 -0.000 0.000 0.285 510 L C -0.587 176.155 176.870 -0.213 0.000 1.035 510 L CA -0.088 54.639 54.840 -0.189 0.000 0.806 510 L CB 2.005 43.952 42.059 -0.188 0.000 1.214 510 L HN 0.389 nan 8.230 nan 0.000 0.426 511 T N 2.963 117.379 114.554 -0.228 0.000 2.772 511 T HA 0.306 4.655 4.350 -0.000 0.000 0.288 511 T C -0.116 174.306 174.700 -0.464 0.000 0.994 511 T CA -0.257 61.699 62.100 -0.240 0.000 0.951 511 T CB 0.957 69.743 68.868 -0.136 0.000 0.933 511 T HN 0.627 nan 8.240 nan 0.000 0.447 512 T N 3.040 117.388 114.554 -0.345 0.000 2.907 512 T HA 0.656 5.006 4.350 -0.000 0.000 0.284 512 T C -0.320 174.213 174.700 -0.278 0.000 1.004 512 T CA -0.469 61.383 62.100 -0.413 0.000 1.063 512 T CB 0.145 68.901 68.868 -0.186 0.000 0.992 512 T HN 0.264 nan 8.240 nan 0.000 0.483 513 F N 0.690 120.624 119.950 -0.026 0.000 2.561 513 F HA 0.451 4.978 4.527 -0.000 0.000 0.312 513 F C 0.995 176.791 175.800 -0.006 0.000 1.105 513 F CA -1.200 56.790 58.000 -0.018 0.000 1.092 513 F CB -0.043 38.945 39.000 -0.019 0.000 1.893 513 F HN 0.371 nan 8.300 nan 0.000 0.555 514 D N 1.938 122.483 120.400 0.242 0.000 2.352 514 D HA 0.266 4.906 4.640 -0.000 0.000 0.245 514 D C -0.306 176.056 176.300 0.103 0.000 1.224 514 D CA 0.450 54.525 54.000 0.124 0.000 0.879 514 D CB 0.572 41.423 40.800 0.086 0.000 1.057 514 D HN 0.191 nan 8.370 nan 0.000 0.491 515 M N 1.568 121.210 119.600 0.071 0.000 2.644 515 M HA 0.230 4.710 4.480 -0.000 0.000 0.316 515 M C 1.119 177.441 176.300 0.037 0.000 1.200 515 M CA -0.925 54.406 55.300 0.051 0.000 0.944 515 M CB 1.513 34.130 32.600 0.029 0.000 1.691 515 M HN -0.009 nan 8.290 nan 0.000 0.471 516 N N 0.859 119.578 118.700 0.032 0.000 2.207 516 N HA 0.077 4.817 4.740 -0.000 0.000 0.182 516 N C -0.109 175.410 175.510 0.015 0.000 1.020 516 N CA 1.059 54.123 53.050 0.023 0.000 0.858 516 N CB 0.234 38.735 38.487 0.023 0.000 0.991 516 N HN 0.514 nan 8.380 nan 0.000 0.427 517 R N -0.034 120.475 120.500 0.015 0.000 2.807 517 R HA 0.496 4.836 4.340 -0.000 0.000 0.276 517 R C -2.522 173.783 176.300 0.008 0.000 0.979 517 R CA -1.595 54.508 56.100 0.005 0.000 0.928 517 R CB 1.444 31.747 30.300 0.006 0.000 1.191 517 R HN -0.026 nan 8.270 nan 0.000 0.471 518 P HA 0.151 nan 4.420 nan 0.000 0.274 518 P C -0.743 176.576 177.300 0.031 0.000 1.237 518 P CA -0.420 62.695 63.100 0.025 0.000 0.793 518 P CB 0.574 32.265 31.700 -0.016 0.000 0.977 519 L N 1.815 123.064 121.223 0.042 0.000 2.305 519 L HA 0.369 4.708 4.340 -0.000 0.000 0.281 519 L C 0.139 177.037 176.870 0.048 0.000 1.085 519 L CA -0.215 54.638 54.840 0.021 0.000 0.813 519 L CB 0.039 42.077 42.059 -0.036 0.000 1.157 519 L HN 0.184 nan 8.230 nan 0.000 0.436 520 L N 3.822 125.071 121.223 0.044 0.000 2.333 520 L HA 0.547 4.886 4.340 -0.000 0.000 0.263 520 L C -2.345 174.544 176.870 0.033 0.000 1.014 520 L CA -2.293 52.575 54.840 0.046 0.000 0.820 520 L CB 1.873 43.959 42.059 0.044 0.000 1.352 520 L HN 0.304 nan 8.230 nan 0.000 0.421 521 P HA 0.009 nan 4.420 nan 0.000 0.258 521 P C 0.681 177.994 177.300 0.022 0.000 1.172 521 P CA 1.228 64.337 63.100 0.015 0.000 0.762 521 P CB 0.367 32.072 31.700 0.007 0.000 0.764 522 G N 1.943 110.760 108.800 0.027 0.000 2.213 522 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.236 522 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.236 522 G C 0.308 175.231 174.900 0.039 0.000 0.991 522 G CA -0.107 45.006 45.100 0.022 0.000 0.629 522 G HN 0.551 nan 8.290 nan 0.000 0.517 523 T N 4.257 118.855 114.554 0.073 0.000 2.867 523 T HA 0.460 4.810 4.350 -0.000 0.000 0.297 523 T C -2.035 172.769 174.700 0.172 0.000 0.989 523 T CA 0.207 62.372 62.100 0.108 0.000 1.159 523 T CB 1.623 70.561 68.868 0.116 0.000 0.928 523 T HN 0.287 nan 8.240 nan 0.000 0.538 524 P HA 0.639 nan 4.420 nan 0.000 0.282 524 P C -0.840 176.541 177.300 0.136 0.000 1.259 524 P CA -0.635 62.457 63.100 -0.013 0.000 0.826 524 P CB 0.695 32.365 31.700 -0.050 0.000 1.064 525 F N -1.510 118.440 119.950 -0.001 0.000 2.985 525 F HA 0.637 5.164 4.527 -0.001 0.000 0.322 525 F C -1.535 174.272 175.800 0.013 0.000 1.187 525 F CA -1.392 56.619 58.000 0.019 0.000 0.910 525 F CB 0.551 39.568 39.000 0.028 0.000 1.411 525 F HN -0.014 nan 8.300 nan 0.000 0.492 526 I N 2.612 123.346 120.570 0.272 0.000 2.378 526 I HA 0.425 4.594 4.170 -0.000 0.000 0.291 526 I C -1.255 175.007 176.117 0.241 0.000 0.992 526 I CA -0.957 60.396 61.300 0.088 0.000 1.154 526 I CB 1.729 39.756 38.000 0.044 0.000 1.315 526 I HN 0.489 nan 8.210 nan 0.000 0.448 527 L N 7.459 128.706 121.223 0.041 0.000 2.289 527 L HA 0.539 4.879 4.340 -0.000 0.000 0.285 527 L C -1.363 175.454 176.870 -0.089 0.000 1.049 527 L CA 0.229 55.181 54.840 0.187 0.000 0.804 527 L CB 0.620 42.822 42.059 0.238 0.000 1.195 527 L HN 0.253 nan 8.230 nan 0.000 0.428 528 F N 6.459 126.503 119.950 0.157 0.000 2.467 528 F HA 0.595 5.122 4.527 -0.000 0.000 0.336 528 F C -0.038 175.818 175.800 0.094 0.000 1.123 528 F CA -0.424 57.641 58.000 0.108 0.000 0.964 528 F CB 1.610 40.669 39.000 0.098 0.000 1.136 528 F HN 0.386 nan 8.300 nan 0.000 0.447 529 I N 3.384 124.076 120.570 0.203 0.000 2.571 529 I HA 0.619 4.789 4.170 -0.000 0.000 0.289 529 I C 0.391 176.566 176.117 0.096 0.000 1.115 529 I CA -0.088 61.290 61.300 0.130 0.000 1.045 529 I CB 1.159 39.203 38.000 0.073 0.000 1.238 529 I HN 0.744 nan 8.210 nan 0.000 0.424 530 G N 5.290 114.137 108.800 0.078 0.000 2.685 530 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.329 530 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.329 530 G C 0.542 175.495 174.900 0.087 0.000 1.271 530 G CA 0.594 45.727 45.100 0.055 0.000 1.003 530 G HN 0.721 nan 8.290 nan 0.000 0.549 531 V N 2.103 122.055 119.914 0.064 0.000 3.649 531 V HA 0.224 4.344 4.120 -0.000 0.000 0.275 531 V C 1.291 177.438 176.094 0.087 0.000 1.281 531 V CA 1.639 63.985 62.300 0.077 0.000 1.143 531 V CB -0.210 31.639 31.823 0.043 0.000 0.892 531 V HN 0.453 nan 8.190 nan 0.000 0.441 532 K N 1.270 121.715 120.400 0.074 0.000 2.123 532 K HA 0.553 4.872 4.320 -0.000 0.000 0.248 532 K C -0.177 176.421 176.600 -0.003 0.000 0.969 532 K CA -0.444 55.864 56.287 0.036 0.000 0.882 532 K CB 1.712 34.223 32.500 0.019 0.000 1.080 532 K HN 0.384 nan 8.250 nan 0.000 0.441 533 E N 1.404 121.531 120.200 -0.122 0.000 2.314 533 E HA 0.323 4.673 4.350 -0.000 0.000 0.272 533 E C -1.561 174.868 176.600 -0.286 0.000 0.884 533 E CA -0.906 55.250 56.400 -0.407 0.000 0.753 533 E CB 2.133 31.410 29.700 -0.706 0.000 1.213 533 E HN 0.344 nan 8.360 nan 0.000 0.432 534 Q N 2.980 122.598 119.800 -0.303 0.000 2.295 534 Q HA 0.396 4.735 4.340 -0.000 0.000 0.268 534 Q C -2.862 173.017 176.000 -0.200 0.000 1.010 534 Q CA -1.923 53.770 55.803 -0.183 0.000 0.856 534 Q CB 2.291 30.977 28.738 -0.087 0.000 1.349 534 Q HN 0.426 nan 8.270 nan 0.000 0.412 535 P HA 0.507 nan 4.420 nan 0.000 0.269 535 P C -1.382 175.741 177.300 -0.294 0.000 1.209 535 P CA -0.002 62.961 63.100 -0.228 0.000 0.776 535 P CB 1.130 32.726 31.700 -0.172 0.000 0.876 536 A N 2.022 124.529 122.820 -0.522 0.000 2.564 536 A HA 0.826 5.146 4.320 -0.000 0.000 0.291 536 A C -1.276 175.761 177.584 -0.911 0.000 1.102 536 A CA -0.683 50.980 52.037 -0.623 0.000 0.660 536 A CB 1.585 20.245 19.000 -0.567 0.000 1.283 536 A HN 0.654 nan 8.150 nan 0.000 0.430 537 R N 0.179 120.339 120.500 -0.566 0.000 2.739 537 R HA 0.637 4.977 4.340 -0.000 0.000 0.271 537 R C -1.293 175.047 176.300 0.065 0.000 1.010 537 R CA -0.872 55.075 56.100 -0.255 0.000 0.897 537 R CB 0.813 31.038 30.300 -0.126 0.000 1.236 537 R HN 0.500 nan 8.270 nan 0.000 0.466 538 I N 2.783 123.512 120.570 0.265 0.000 2.668 538 I HA -0.048 4.121 4.170 -0.000 0.000 0.285 538 I C 1.213 177.354 176.117 0.040 0.000 1.168 538 I CA 0.632 62.022 61.300 0.150 0.000 1.424 538 I CB 0.852 38.915 38.000 0.106 0.000 1.377 538 I HN 0.871 nan 8.210 nan 0.000 0.560 539 K N 6.191 126.590 120.400 -0.000 0.000 2.214 539 K HA 0.187 4.506 4.320 -0.000 0.000 0.201 539 K C 0.368 176.958 176.600 -0.018 0.000 1.049 539 K CA 0.470 56.746 56.287 -0.020 0.000 0.978 539 K CB 0.639 33.115 32.500 -0.041 0.000 0.842 539 K HN 0.522 nan 8.250 nan 0.000 0.474 540 R N 0.514 120.999 120.500 -0.024 0.000 2.651 540 R HA 0.377 4.717 4.340 -0.000 0.000 0.278 540 R C -1.393 174.882 176.300 -0.041 0.000 1.010 540 R CA -0.609 55.474 56.100 -0.029 0.000 0.896 540 R CB 1.898 32.180 30.300 -0.029 0.000 1.211 540 R HN 0.012 nan 8.270 nan 0.000 0.456 541 L N 4.772 125.959 121.223 -0.060 0.000 2.261 541 L HA 0.340 4.679 4.340 -0.000 0.000 0.289 541 L C 1.028 177.840 176.870 -0.098 0.000 1.059 541 L CA -0.130 54.647 54.840 -0.106 0.000 0.816 541 L CB 0.925 42.893 42.059 -0.152 0.000 1.191 541 L HN 0.679 nan 8.230 nan 0.000 0.431 542 I N 0.986 121.515 120.570 -0.069 0.000 2.512 542 I HA 0.031 4.201 4.170 -0.000 0.000 0.247 542 I C 0.568 176.665 176.117 -0.033 0.000 1.094 542 I CA 0.577 61.860 61.300 -0.029 0.000 1.427 542 I CB 0.285 38.299 38.000 0.023 0.000 1.149 542 I HN 0.698 nan 8.210 nan 0.000 0.438 543 S N -0.678 115.003 115.700 -0.032 0.000 2.580 543 S HA 0.413 4.883 4.470 -0.000 0.000 0.281 543 S C -0.852 173.706 174.600 -0.070 0.000 1.129 543 S CA -0.876 57.309 58.200 -0.024 0.000 0.862 543 S CB 0.813 64.077 63.200 0.106 0.000 1.090 543 S HN 0.021 nan 8.310 nan 0.000 0.451 544 F N 1.564 121.527 119.950 0.022 0.000 2.496 544 F HA 0.442 4.969 4.527 -0.001 0.000 0.344 544 F C 0.785 176.587 175.800 0.003 0.000 1.155 544 F CA -0.494 57.494 58.000 -0.019 0.000 1.302 544 F CB 0.607 39.587 39.000 -0.033 0.000 1.159 544 F HN 0.477 nan 8.300 nan 0.000 0.595 545 I N 0.687 121.352 120.570 0.159 0.000 2.339 545 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 545 I C -0.458 175.700 176.117 0.068 0.000 0.994 545 I CA -0.741 60.604 61.300 0.076 0.000 1.191 545 I CB 1.480 39.428 38.000 -0.087 0.000 1.343 545 I HN 0.570 nan 8.210 nan 0.000 0.458 546 D N 3.701 124.142 120.400 0.068 0.000 2.324 546 D HA 0.048 4.688 4.640 -0.000 0.000 0.212 546 D C 0.296 176.611 176.300 0.024 0.000 0.984 546 D CA 0.659 54.677 54.000 0.031 0.000 0.885 546 D CB 0.395 41.211 40.800 0.026 0.000 0.996 546 D HN 0.198 nan 8.370 nan 0.000 0.505 547 K N -0.053 120.371 120.400 0.040 0.000 2.687 547 K HA 0.470 4.790 4.320 -0.000 0.000 0.249 547 K C 0.592 177.222 176.600 0.049 0.000 0.994 547 K CA 0.004 56.313 56.287 0.037 0.000 0.913 547 K CB 1.532 34.053 32.500 0.035 0.000 1.202 547 K HN 0.171 nan 8.250 nan 0.000 0.460 548 G N 4.062 112.886 108.800 0.040 0.000 5.359 548 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.333 548 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.333 548 G C 0.722 175.659 174.900 0.063 0.000 1.365 548 G CA 0.997 46.127 45.100 0.050 0.000 1.008 548 G HN 0.536 nan 8.290 nan 0.000 0.816 549 N N 0.181 118.944 118.700 0.105 0.000 2.082 549 N HA 0.241 4.981 4.740 -0.000 0.000 0.228 549 N C -0.072 175.591 175.510 0.255 0.000 1.341 549 N CA 0.737 53.907 53.050 0.200 0.000 0.873 549 N CB 0.780 39.406 38.487 0.232 0.000 1.137 549 N HN 0.447 nan 8.380 nan 0.000 0.505 550 T N 1.051 115.699 114.554 0.157 0.000 2.853 550 T HA 0.307 4.657 4.350 -0.000 0.000 0.298 550 T C 0.331 175.138 174.700 0.178 0.000 0.978 550 T CA -0.140 62.045 62.100 0.140 0.000 1.152 550 T CB 0.661 69.581 68.868 0.086 0.000 0.914 550 T HN 0.186 nan 8.240 nan 0.000 0.539 551 A N 4.217 127.148 122.820 0.185 0.000 2.437 551 A HA 0.454 4.774 4.320 -0.000 0.000 0.303 551 A C 0.930 178.596 177.584 0.136 0.000 1.324 551 A CA -0.548 51.610 52.037 0.202 0.000 0.983 551 A CB -0.111 18.978 19.000 0.149 0.000 1.142 551 A HN 0.790 nan 8.150 nan 0.000 0.541 552 S N 2.068 117.858 115.700 0.150 0.000 2.566 552 S HA 0.064 4.533 4.470 -0.000 0.000 0.280 552 S C 0.959 175.626 174.600 0.112 0.000 1.343 552 S CA 0.187 58.461 58.200 0.123 0.000 1.036 552 S CB 0.404 63.692 63.200 0.147 0.000 0.866 552 S HN 0.657 nan 8.310 nan 0.000 0.526 553 K N 1.430 121.878 120.400 0.080 0.000 2.404 553 K HA 0.140 4.460 4.320 -0.000 0.000 0.194 553 K C -0.044 176.600 176.600 0.073 0.000 1.023 553 K CA 0.098 56.424 56.287 0.065 0.000 1.094 553 K CB 0.130 32.655 32.500 0.041 0.000 0.841 553 K HN 0.511 nan 8.250 nan 0.000 0.523 554 K N 1.806 122.267 120.400 0.102 0.000 2.412 554 K HA 0.020 4.339 4.320 -0.000 0.000 0.284 554 K C -0.220 176.482 176.600 0.171 0.000 1.046 554 K CA 0.048 56.402 56.287 0.113 0.000 0.999 554 K CB 0.624 33.173 32.500 0.081 0.000 0.941 554 K HN -0.163 nan 8.250 nan 0.000 0.474 555 K N 2.683 123.148 120.400 0.108 0.000 2.485 555 K HA 0.088 4.407 4.320 -0.000 0.000 0.277 555 K C -0.319 176.354 176.600 0.123 0.000 0.990 555 K CA 0.237 56.574 56.287 0.083 0.000 0.994 555 K CB 0.330 32.859 32.500 0.049 0.000 0.906 555 K HN 0.515 nan 8.250 nan 0.000 0.488 556 I N 4.392 124.975 120.570 0.021 0.000 2.410 556 I HA 0.298 4.467 4.170 -0.000 0.000 0.286 556 I C 0.166 176.214 176.117 -0.115 0.000 1.009 556 I CA -0.532 60.708 61.300 -0.100 0.000 1.111 556 I CB 0.848 38.511 38.000 -0.561 0.000 1.262 556 I HN 0.637 nan 8.210 nan 0.000 0.443 557 R N 4.483 124.929 120.500 -0.090 0.000 2.279 557 R HA 0.250 4.589 4.340 -0.000 0.000 0.195 557 R C -0.438 175.890 176.300 0.047 0.000 0.905 557 R CA 0.253 56.349 56.100 -0.007 0.000 1.044 557 R CB -0.179 30.168 30.300 0.077 0.000 1.056 557 R HN 0.844 nan 8.270 nan 0.000 0.535 558 H N -2.861 116.213 119.070 0.007 0.000 3.037 558 H HA 0.515 5.070 4.556 -0.001 0.000 0.336 558 H C -1.663 173.677 175.328 0.020 0.000 1.323 558 H CA -1.099 54.950 56.048 0.002 0.000 1.159 558 H CB 0.693 30.472 29.762 0.028 0.000 1.882 558 H HN -0.119 nan 8.280 nan 0.000 0.535 559 L N 2.636 123.945 121.223 0.144 0.000 2.318 559 L HA 0.763 5.102 4.340 -0.000 0.000 0.277 559 L C 0.302 177.280 176.870 0.180 0.000 1.008 559 L CA 0.239 55.133 54.840 0.089 0.000 0.846 559 L CB 0.820 42.844 42.059 -0.059 0.000 1.220 559 L HN 1.054 nan 8.230 nan 0.000 0.423 560 G N 2.523 111.472 108.800 0.249 0.000 2.531 560 G HA2 0.433 4.393 3.960 -0.000 0.000 0.281 560 G HA3 0.433 4.393 3.960 -0.000 0.000 0.281 560 G C -0.556 174.401 174.900 0.096 0.000 1.382 560 G CA -0.607 44.599 45.100 0.177 0.000 1.045 560 G HN 0.598 nan 8.290 nan 0.000 0.533 561 S N 0.343 116.087 115.700 0.073 0.000 2.579 561 S HA 0.256 4.726 4.470 -0.000 0.000 0.275 561 S C 0.055 174.686 174.600 0.051 0.000 1.345 561 S CA -0.225 58.008 58.200 0.055 0.000 1.031 561 S CB 0.709 63.944 63.200 0.058 0.000 0.892 561 S HN 0.546 nan 8.310 nan 0.000 0.529 562 K N 0.678 121.111 120.400 0.055 0.000 3.156 562 K HA -0.195 4.124 4.320 -0.000 0.000 0.266 562 K C -0.521 176.096 176.600 0.027 0.000 0.966 562 K CA 0.923 57.242 56.287 0.052 0.000 0.719 562 K CB -1.943 30.586 32.500 0.049 0.000 1.333 562 K HN 0.731 nan 8.250 nan 0.000 0.468 563 Q N 0.106 119.919 119.800 0.022 0.000 2.451 563 Q HA 0.537 4.877 4.340 -0.000 0.000 0.281 563 Q C -0.275 175.732 176.000 0.011 0.000 1.099 563 Q CA -1.047 54.784 55.803 0.046 0.000 0.806 563 Q CB 2.426 31.255 28.738 0.151 0.000 1.419 563 Q HN 0.150 nan 8.270 nan 0.000 0.427 564 R N 0.134 120.653 120.500 0.030 0.000 2.670 564 R HA 0.879 5.219 4.340 -0.000 0.000 0.289 564 R C -1.142 175.135 176.300 -0.038 0.000 0.965 564 R CA -0.698 55.369 56.100 -0.055 0.000 0.899 564 R CB 2.035 32.283 30.300 -0.086 0.000 1.173 564 R HN 0.694 nan 8.270 nan 0.000 0.456 565 A N 2.201 124.908 122.820 -0.189 0.000 2.605 565 A HA 0.592 4.912 4.320 -0.000 0.000 0.294 565 A C -1.640 175.742 177.584 -0.336 0.000 1.062 565 A CA -0.769 51.130 52.037 -0.230 0.000 0.682 565 A CB 0.918 19.765 19.000 -0.256 0.000 1.278 565 A HN 0.499 nan 8.150 nan 0.000 0.410 566 F N 0.776 120.683 119.950 -0.070 0.000 2.410 566 F HA 0.573 5.100 4.527 -0.000 0.000 0.348 566 F C 0.435 176.182 175.800 -0.088 0.000 1.106 566 F CA 0.017 57.984 58.000 -0.055 0.000 1.163 566 F CB 1.693 40.675 39.000 -0.030 0.000 1.129 566 F HN 0.307 nan 8.300 nan 0.000 0.516 567 V N 2.524 122.508 119.914 0.118 0.000 2.925 567 V HA 0.326 4.446 4.120 -0.000 0.000 0.311 567 V C -0.732 175.372 176.094 0.017 0.000 1.104 567 V CA -1.106 61.204 62.300 0.016 0.000 0.954 567 V CB 2.210 34.003 31.823 -0.050 0.000 1.022 567 V HN 0.695 nan 8.190 nan 0.000 0.427 568 E N 3.172 123.359 120.200 -0.022 0.000 2.175 568 E HA 0.530 4.879 4.350 -0.000 0.000 0.278 568 E C -1.500 175.037 176.600 -0.105 0.000 0.969 568 E CA -0.614 55.748 56.400 -0.063 0.000 0.796 568 E CB 1.279 30.949 29.700 -0.050 0.000 1.104 568 E HN 0.414 nan 8.360 nan 0.000 0.395 569 I N 3.302 123.723 120.570 -0.248 0.000 2.493 569 I HA 0.301 4.471 4.170 -0.000 0.000 0.298 569 I C -0.021 175.896 176.117 -0.334 0.000 0.998 569 I CA -0.552 60.586 61.300 -0.270 0.000 1.137 569 I CB 1.537 39.273 38.000 -0.441 0.000 1.310 569 I HN 0.674 nan 8.210 nan 0.000 0.445 570 E N 4.586 124.672 120.200 -0.190 0.000 2.187 570 E HA 0.422 4.771 4.350 -0.000 0.000 0.268 570 E C -1.423 175.101 176.600 -0.128 0.000 0.896 570 E CA -0.817 55.501 56.400 -0.136 0.000 0.766 570 E CB 1.832 31.487 29.700 -0.075 0.000 1.142 570 E HN 0.239 nan 8.360 nan 0.000 0.408 571 L N 5.121 126.324 121.223 -0.035 0.000 2.397 571 L HA 0.375 4.715 4.340 -0.000 0.000 0.271 571 L C 0.180 177.020 176.870 -0.051 0.000 1.148 571 L CA 0.073 54.903 54.840 -0.016 0.000 0.825 571 L CB 0.699 42.829 42.059 0.119 0.000 1.117 571 L HN 0.487 nan 8.230 nan 0.000 0.456 572 I N -1.546 118.962 120.570 -0.104 0.000 3.042 572 I HA 0.491 4.661 4.170 -0.000 0.000 0.310 572 I C -0.392 175.656 176.117 -0.114 0.000 1.117 572 I CA -0.868 60.370 61.300 -0.103 0.000 1.003 572 I CB 1.917 39.847 38.000 -0.117 0.000 1.228 572 I HN 0.710 nan 8.210 nan 0.000 0.443 573 E N 0.989 121.125 120.200 -0.106 0.000 2.252 573 E HA -0.140 4.210 4.350 -0.000 0.000 0.218 573 E C -0.900 175.615 176.600 -0.141 0.000 1.253 573 E CA 0.068 56.401 56.400 -0.112 0.000 0.705 573 E CB -1.336 28.304 29.700 -0.100 0.000 1.172 573 E HN 0.446 nan 8.360 nan 0.000 0.369 574 V N 1.673 121.475 119.914 -0.187 0.000 2.389 574 V HA 0.039 4.158 4.120 -0.000 0.000 0.264 574 V C 1.360 177.267 176.094 -0.311 0.000 1.049 574 V CA -0.110 62.024 62.300 -0.278 0.000 0.932 574 V CB 1.361 32.917 31.823 -0.444 0.000 1.011 574 V HN 0.207 nan 8.190 nan 0.000 0.475 575 K N 3.590 123.844 120.400 -0.243 0.000 2.211 575 K HA 0.182 4.502 4.320 -0.000 0.000 0.201 575 K C 0.862 177.309 176.600 -0.256 0.000 1.052 575 K CA 0.598 56.760 56.287 -0.208 0.000 0.973 575 K CB 0.394 32.817 32.500 -0.128 0.000 0.766 575 K HN 0.543 nan 8.250 nan 0.000 0.466 576 R N -0.489 119.844 120.500 -0.279 0.000 2.626 576 R HA 0.162 4.502 4.340 -0.000 0.000 0.274 576 R C -1.489 174.688 176.300 -0.206 0.000 1.031 576 R CA -0.590 55.373 56.100 -0.228 0.000 0.898 576 R CB 1.032 31.290 30.300 -0.070 0.000 1.222 576 R HN -0.083 nan 8.270 nan 0.000 0.455 577 W N 4.367 125.689 121.300 0.037 0.000 2.158 577 W HA 0.212 4.871 4.660 -0.001 0.000 0.339 577 W C 0.307 176.852 176.519 0.043 0.000 1.294 577 W CA -0.623 56.749 57.345 0.045 0.000 1.231 577 W CB 0.573 30.068 29.460 0.058 0.000 1.143 577 W HN 0.210 nan 8.180 nan 0.000 0.571 578 I N 5.236 126.041 120.570 0.393 0.000 2.330 578 I HA 0.193 4.363 4.170 -0.000 0.000 0.289 578 I C -1.972 174.234 176.117 0.148 0.000 1.001 578 I CA -2.788 58.633 61.300 0.203 0.000 1.193 578 I CB 0.694 38.784 38.000 0.149 0.000 1.345 578 I HN 0.034 nan 8.210 nan 0.000 0.461 579 P HA 0.296 nan 4.420 nan 0.000 0.271 579 P C -0.887 176.392 177.300 -0.036 0.000 1.220 579 P CA -0.013 63.112 63.100 0.042 0.000 0.768 579 P CB 1.148 32.897 31.700 0.081 0.000 0.848 580 L N 3.423 124.590 121.223 -0.094 0.000 2.381 580 L HA 0.579 4.919 4.340 -0.000 0.000 0.268 580 L C -0.339 176.443 176.870 -0.148 0.000 0.997 580 L CA -1.124 53.623 54.840 -0.155 0.000 0.818 580 L CB 2.115 44.030 42.059 -0.240 0.000 1.310 580 L HN 0.217 nan 8.230 nan 0.000 0.416 581 L N 1.573 122.709 121.223 -0.145 0.000 2.410 581 L HA 0.534 4.874 4.340 -0.000 0.000 0.270 581 L C 0.185 176.970 176.870 -0.140 0.000 0.983 581 L CA -0.085 54.687 54.840 -0.113 0.000 0.822 581 L CB 2.348 44.365 42.059 -0.070 0.000 1.285 581 L HN 0.724 nan 8.230 nan 0.000 0.409 582 T N 0.995 115.449 114.554 -0.168 0.000 2.900 582 T HA 0.384 4.734 4.350 -0.000 0.000 0.307 582 T C 1.250 175.779 174.700 -0.284 0.000 1.065 582 T CA 0.007 61.927 62.100 -0.299 0.000 1.105 582 T CB 1.053 69.552 68.868 -0.614 0.000 0.979 582 T HN 0.752 nan 8.240 nan 0.000 0.544 583 A N 1.251 123.923 122.820 -0.246 0.000 2.121 583 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 583 A C 2.083 179.630 177.584 -0.062 0.000 1.154 583 A CA 1.298 53.272 52.037 -0.106 0.000 0.679 583 A CB -1.115 17.871 19.000 -0.023 0.000 0.795 583 A HN 1.064 nan 8.150 nan 0.000 0.458 584 H N -2.127 116.973 119.070 0.050 0.000 2.535 584 H HA 0.124 4.680 4.556 -0.001 0.000 0.273 584 H C 1.079 176.435 175.328 0.047 0.000 0.983 584 H CA 0.798 56.874 56.048 0.047 0.000 1.238 584 H CB -0.048 29.740 29.762 0.044 0.000 1.412 584 H HN 0.421 nan 8.280 nan 0.000 0.562 585 E N 1.181 121.438 120.200 0.094 0.000 2.076 585 E HA -0.020 4.329 4.350 -0.000 0.000 0.190 585 E C 0.475 177.122 176.600 0.079 0.000 0.979 585 E CA 0.379 56.855 56.400 0.127 0.000 0.807 585 E CB 0.268 30.040 29.700 0.121 0.000 0.761 585 E HN 0.408 nan 8.360 nan 0.000 0.454 586 N N 0.493 119.210 118.700 0.028 0.000 2.599 586 N HA -0.023 4.716 4.740 -0.000 0.000 0.283 586 N C -0.273 175.244 175.510 0.012 0.000 1.160 586 N CA -0.010 53.048 53.050 0.014 0.000 0.869 586 N CB 1.578 40.057 38.487 -0.015 0.000 1.448 586 N HN -0.230 nan 8.380 nan 0.000 0.535 587 D N 2.448 122.872 120.400 0.040 0.000 2.116 587 D HA -0.196 4.444 4.640 -0.000 0.000 0.193 587 D C 1.739 178.069 176.300 0.051 0.000 0.998 587 D CA 1.751 55.789 54.000 0.062 0.000 0.836 587 D CB 0.468 41.332 40.800 0.107 0.000 0.951 587 D HN 0.522 nan 8.370 nan 0.000 0.449 588 R N 0.016 120.543 120.500 0.044 0.000 2.062 588 R HA 0.062 4.402 4.340 -0.000 0.000 0.231 588 R C 2.372 178.671 176.300 -0.001 0.000 1.136 588 R CA 1.287 57.401 56.100 0.024 0.000 0.948 588 R CB -0.850 29.462 30.300 0.019 0.000 0.845 588 R HN 0.307 nan 8.270 nan 0.000 0.430 589 L N -0.448 120.763 121.223 -0.020 0.000 2.275 589 L HA 0.064 4.403 4.340 -0.000 0.000 0.215 589 L C 1.796 178.641 176.870 -0.040 0.000 1.119 589 L CA 1.107 55.925 54.840 -0.037 0.000 0.790 589 L CB -0.389 41.635 42.059 -0.057 0.000 0.919 589 L HN 0.421 nan 8.230 nan 0.000 0.443 590 G N -0.251 108.528 108.800 -0.035 0.000 3.262 590 G HA2 0.043 4.003 3.960 -0.000 0.000 0.228 590 G HA3 0.043 4.003 3.960 -0.000 0.000 0.228 590 G C 0.556 175.447 174.900 -0.016 0.000 1.197 590 G CA -0.330 44.740 45.100 -0.050 0.000 0.819 590 G HN 0.018 nan 8.290 nan 0.000 0.531 591 R N 0.235 120.738 120.500 0.005 0.000 2.532 591 R HA 0.571 4.911 4.340 -0.000 0.000 0.295 591 R C -0.444 175.889 176.300 0.055 0.000 0.968 591 R CA -0.448 55.671 56.100 0.031 0.000 0.916 591 R CB 1.925 32.242 30.300 0.029 0.000 1.124 591 R HN 0.137 nan 8.270 nan 0.000 0.463 592 V N -1.156 118.808 119.914 0.083 0.000 3.130 592 V HA 0.811 4.931 4.120 -0.000 0.000 0.310 592 V C -0.317 175.859 176.094 0.137 0.000 1.158 592 V CA -0.985 61.394 62.300 0.132 0.000 1.029 592 V CB 2.168 34.096 31.823 0.175 0.000 1.057 592 V HN 0.530 nan 8.190 nan 0.000 0.436 593 V N 0.780 120.812 119.914 0.198 0.000 2.823 593 V HA 0.874 4.994 4.120 -0.000 0.000 0.312 593 V C -1.194 175.053 176.094 0.255 0.000 1.072 593 V CA -0.784 61.626 62.300 0.183 0.000 0.937 593 V CB 1.641 33.556 31.823 0.154 0.000 1.013 593 V HN 0.894 nan 8.190 nan 0.000 0.430 594 L N 4.727 126.038 121.223 0.147 0.000 2.341 594 L HA 0.757 5.097 4.340 -0.000 0.000 0.278 594 L C 0.279 177.259 176.870 0.184 0.000 1.005 594 L CA -0.281 54.647 54.840 0.146 0.000 0.818 594 L CB 1.802 43.723 42.059 -0.230 0.000 1.259 594 L HN 0.763 nan 8.230 nan 0.000 0.418 595 R N 2.870 123.567 120.500 0.328 0.000 2.750 595 R HA 0.846 5.186 4.340 -0.000 0.000 0.281 595 R C -1.106 175.352 176.300 0.263 0.000 0.972 595 R CA -1.140 55.118 56.100 0.263 0.000 0.912 595 R CB 2.749 33.228 30.300 0.300 0.000 1.187 595 R HN 0.633 nan 8.270 nan 0.000 0.464 596 K N -0.360 120.148 120.400 0.180 0.000 2.546 596 K HA 0.324 4.644 4.320 -0.000 0.000 0.264 596 K C -1.123 175.543 176.600 0.109 0.000 0.937 596 K CA -0.851 55.532 56.287 0.160 0.000 0.833 596 K CB 1.727 34.330 32.500 0.172 0.000 1.378 596 K HN 0.434 nan 8.250 nan 0.000 0.432 597 D N 1.210 121.665 120.400 0.092 0.000 2.811 597 D HA -0.153 4.487 4.640 -0.000 0.000 0.231 597 D C 0.725 177.064 176.300 0.065 0.000 1.157 597 D CA 2.362 56.402 54.000 0.067 0.000 0.716 597 D CB -1.050 39.782 40.800 0.054 0.000 1.077 597 D HN 1.181 nan 8.370 nan 0.000 0.428 598 G N -0.441 108.407 108.800 0.081 0.000 2.221 598 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.265 598 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.265 598 G C 0.155 175.088 174.900 0.055 0.000 1.041 598 G CA 0.560 45.702 45.100 0.070 0.000 0.807 598 G HN 0.558 nan 8.290 nan 0.000 0.502 599 R N -0.845 119.695 120.500 0.068 0.000 2.725 599 R HA 0.571 4.911 4.340 -0.000 0.000 0.277 599 R C -0.439 175.910 176.300 0.082 0.000 0.987 599 R CA -0.727 55.407 56.100 0.057 0.000 0.901 599 R CB 1.356 31.689 30.300 0.054 0.000 1.207 599 R HN 0.100 nan 8.270 nan 0.000 0.463 600 T N 3.201 117.803 114.554 0.080 0.000 2.752 600 T HA 0.161 4.510 4.350 -0.000 0.000 0.295 600 T C 1.393 176.239 174.700 0.243 0.000 0.923 600 T CA -0.102 62.084 62.100 0.144 0.000 1.112 600 T CB 0.109 69.050 68.868 0.122 0.000 0.884 600 T HN 0.597 nan 8.240 nan 0.000 0.525 601 I N 0.543 121.214 120.570 0.168 0.000 3.939 601 I HA 0.704 4.874 4.170 -0.000 0.000 0.313 601 I C 0.654 176.645 176.117 -0.210 0.000 1.274 601 I CA -0.429 60.913 61.300 0.070 0.000 1.301 601 I CB 0.320 38.310 38.000 -0.016 0.000 1.105 601 I HN 0.543 nan 8.210 nan 0.000 0.427 602 A N 0.975 123.591 122.820 -0.341 0.000 2.586 602 A HA 0.861 5.181 4.320 -0.000 0.000 0.291 602 A C -1.552 175.764 177.584 -0.447 0.000 1.062 602 A CA -0.114 51.433 52.037 -0.817 0.000 0.666 602 A CB 0.820 19.501 19.000 -0.532 0.000 1.281 602 A HN 0.421 nan 8.150 nan 0.000 0.421 603 A N -0.369 122.166 122.820 -0.474 0.000 2.454 603 A HA 0.993 5.313 4.320 -0.000 0.000 0.302 603 A C 0.015 177.531 177.584 -0.113 0.000 1.079 603 A CA -0.097 51.882 52.037 -0.097 0.000 0.731 603 A CB 1.724 20.793 19.000 0.114 0.000 1.299 603 A HN 2.473 nan 8.150 nan 0.000 0.413 604 G N 0.310 109.095 108.800 -0.024 0.000 2.690 604 G HA2 0.620 4.579 3.960 -0.000 0.000 0.291 604 G HA3 0.620 4.579 3.960 -0.000 0.000 0.291 604 G C -1.519 173.403 174.900 0.038 0.000 1.403 604 G CA -0.769 44.327 45.100 -0.008 0.000 0.864 604 G HN 0.656 nan 8.290 nan 0.000 0.480 605 K N 0.459 120.887 120.400 0.048 0.000 2.270 605 K HA 0.449 4.768 4.320 -0.000 0.000 0.255 605 K C -0.493 176.160 176.600 0.088 0.000 0.936 605 K CA -0.762 55.560 56.287 0.058 0.000 0.809 605 K CB 2.843 35.378 32.500 0.058 0.000 1.131 605 K HN 0.348 nan 8.250 nan 0.000 0.427 606 I N 2.598 123.198 120.570 0.050 0.000 2.505 606 I HA -0.071 4.099 4.170 -0.000 0.000 0.287 606 I C 0.854 176.982 176.117 0.019 0.000 1.104 606 I CA 0.319 61.653 61.300 0.055 0.000 1.387 606 I CB 0.736 38.683 38.000 -0.089 0.000 1.404 606 I HN 0.704 nan 8.210 nan 0.000 0.528 607 S N 4.186 119.960 115.700 0.122 0.000 2.468 607 S HA 0.089 4.559 4.470 -0.000 0.000 0.226 607 S C 0.474 175.154 174.600 0.133 0.000 1.051 607 S CA 0.104 58.391 58.200 0.145 0.000 0.943 607 S CB 0.265 63.612 63.200 0.245 0.000 0.810 607 S HN 0.750 nan 8.310 nan 0.000 0.509 608 E N -0.005 120.269 120.200 0.123 0.000 2.352 608 E HA 0.409 4.759 4.350 -0.000 0.000 0.280 608 E C -2.072 174.601 176.600 0.120 0.000 0.930 608 E CA -0.630 55.831 56.400 0.102 0.000 0.765 608 E CB 1.271 31.014 29.700 0.071 0.000 1.219 608 E HN -0.044 nan 8.360 nan 0.000 0.434 609 I N 3.037 123.645 120.570 0.063 0.000 2.297 609 I HA 0.140 4.310 4.170 -0.000 0.000 0.291 609 I C 0.831 176.959 176.117 0.019 0.000 1.033 609 I CA 0.016 61.357 61.300 0.068 0.000 1.253 609 I CB 1.418 39.407 38.000 -0.019 0.000 1.396 609 I HN 0.497 nan 8.210 nan 0.000 0.476 610 T N 5.838 120.432 114.554 0.067 0.000 3.509 610 T HA 0.025 4.375 4.350 -0.000 0.000 0.250 610 T C 0.820 175.506 174.700 -0.024 0.000 1.076 610 T CA -0.364 61.740 62.100 0.008 0.000 0.966 610 T CB -0.979 67.897 68.868 0.014 0.000 1.046 610 T HN 0.693 nan 8.240 nan 0.000 0.591 611 Q N 0.000 119.765 119.800 -0.058 0.000 2.315 611 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 611 Q CA 0.000 55.729 55.803 -0.124 0.000 1.022 611 Q CB 0.000 28.598 28.738 -0.234 0.000 1.108 611 Q HN 0.000 nan 8.270 nan 0.000 0.481