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 2ay9_1_B DATA FIRST_RESID 5 DATA SEQUENCE MLGNLKPQAP DKILALMGEF XXXXXXGKID LGVGVYKDAT GHTPIMRAVH DATA SEQUENCE AAEQRMLETE XTTKTYAGLS GEPEFQKAMG ELILGDGXXX LKSETTATLA DATA SEQUENCE TVGGTGALRQ ALELARMANP DLXXRXXXVF VSDPTWPNHV SIMNFMGLXP DATA SEQUENCE VQTYRYFDAE TRGVDFEGMK ADLAAAKKGD MVLLHGCCHN PTGANLTLDQ DATA SEQUENCE WAEIASILEK TGALPLIDLA YQGFGDGXLE EDAAGTRLIA SRIPEVLIAA DATA SEQUENCE SCSKNFGIYR ERTGCLLALC ADAATRELAQ GAMAFLNRQT YSFPPFHGAK DATA SEQUENCE IVSTVLTTPE LRADWMAELE AVRSGMLRLR EQLAGELRDL SGSDRFGFVA DATA SEQUENCE EHRGMFSRLG ATPEQVKRIK EEFGIYMVGD SRINIAGLND NTIPILARAI DATA SEQUENCE IEVGV 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.304 176.300 0.006 0.000 1.140 5 M CA 0.000 55.303 55.300 0.005 0.000 0.988 5 M CB 0.000 32.603 32.600 0.006 0.000 1.302 6 L N 1.173 122.399 121.223 0.007 0.000 2.450 6 L HA -0.070 4.270 4.340 -0.000 0.000 0.225 6 L C 1.960 178.834 176.870 0.006 0.000 1.145 6 L CA 1.359 56.203 54.840 0.007 0.000 0.801 6 L CB -0.913 41.150 42.059 0.007 0.000 0.924 6 L HN 0.645 nan 8.230 nan 0.000 0.447 7 G N -0.316 108.487 108.800 0.005 0.000 2.650 7 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.214 7 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.214 7 G C 1.157 176.060 174.900 0.005 0.000 1.136 7 G CA 0.206 45.309 45.100 0.004 0.000 0.789 7 G HN 0.512 nan 8.290 nan 0.000 0.536 8 N N -0.242 118.462 118.700 0.006 0.000 2.412 8 N HA 0.164 4.904 4.740 -0.000 0.000 0.184 8 N C 0.192 175.708 175.510 0.009 0.000 1.101 8 N CA -0.388 52.666 53.050 0.007 0.000 0.881 8 N CB 0.229 38.720 38.487 0.006 0.000 0.969 8 N HN 0.208 nan 8.380 nan 0.000 0.459 9 L N 2.216 123.446 121.223 0.010 0.000 2.615 9 L HA 0.015 4.355 4.340 -0.000 0.000 0.271 9 L C 0.253 177.129 176.870 0.011 0.000 1.183 9 L CA 0.322 55.170 54.840 0.013 0.000 0.933 9 L CB 0.110 42.177 42.059 0.012 0.000 1.199 9 L HN 0.037 nan 8.230 nan 0.000 0.487 10 K N 5.332 125.740 120.400 0.014 0.000 2.237 10 K HA 0.258 4.578 4.320 -0.000 0.000 0.270 10 K C -1.992 174.615 176.600 0.010 0.000 1.015 10 K CA -1.381 54.913 56.287 0.012 0.000 0.949 10 K CB 0.249 32.757 32.500 0.014 0.000 0.976 10 K HN 0.391 nan 8.250 nan 0.000 0.472 11 P HA 0.013 nan 4.420 nan 0.000 0.276 11 P C -1.010 176.290 177.300 0.001 0.000 1.235 11 P CA -0.190 62.911 63.100 0.002 0.000 0.772 11 P CB 0.863 32.563 31.700 -0.001 0.000 0.871 12 Q N 1.183 120.980 119.800 -0.004 0.000 2.230 12 Q HA 0.477 4.817 4.340 -0.000 0.000 0.253 12 Q C -0.011 175.978 176.000 -0.018 0.000 0.919 12 Q CA -0.636 55.163 55.803 -0.008 0.000 0.908 12 Q CB 2.217 30.947 28.738 -0.014 0.000 1.245 12 Q HN 0.586 nan 8.270 nan 0.000 0.437 13 A N 4.761 127.569 122.820 -0.020 0.000 2.520 13 A HA 0.317 4.637 4.320 -0.000 0.000 0.245 13 A C -1.547 176.012 177.584 -0.042 0.000 1.072 13 A CA -0.720 51.301 52.037 -0.027 0.000 0.761 13 A CB -0.603 18.382 19.000 -0.026 0.000 1.004 13 A HN 0.473 nan 8.150 nan 0.000 0.499 14 P HA 0.234 nan 4.420 nan 0.000 0.274 14 P C -0.884 176.377 177.300 -0.065 0.000 1.237 14 P CA -0.311 62.760 63.100 -0.049 0.000 0.793 14 P CB 0.661 32.339 31.700 -0.035 0.000 0.977 15 D N 0.978 121.331 120.400 -0.078 0.000 2.312 15 D HA 0.023 4.663 4.640 -0.000 0.000 0.252 15 D C 1.258 177.509 176.300 -0.081 0.000 1.150 15 D CA -0.447 53.491 54.000 -0.104 0.000 0.870 15 D CB 0.773 41.497 40.800 -0.126 0.000 1.153 15 D HN 0.036 nan 8.370 nan 0.000 0.457 16 K N 3.458 123.806 120.400 -0.086 0.000 2.015 16 K HA -0.168 4.152 4.320 -0.000 0.000 0.216 16 K C 1.873 178.445 176.600 -0.047 0.000 1.052 16 K CA 1.433 57.685 56.287 -0.059 0.000 0.937 16 K CB -0.655 31.807 32.500 -0.063 0.000 0.719 16 K HN 0.620 nan 8.250 nan 0.000 0.446 17 I N 1.045 121.580 120.570 -0.059 0.000 2.208 17 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 17 I C 2.390 178.492 176.117 -0.026 0.000 1.097 17 I CA 1.148 62.427 61.300 -0.035 0.000 1.363 17 I CB -0.414 37.572 38.000 -0.023 0.000 1.051 17 I HN 0.025 nan 8.210 nan 0.000 0.413 18 L N 0.588 121.791 121.223 -0.034 0.000 2.093 18 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 18 L C 2.853 179.708 176.870 -0.024 0.000 1.085 18 L CA 1.216 56.040 54.840 -0.026 0.000 0.755 18 L CB -0.705 41.333 42.059 -0.034 0.000 0.904 18 L HN 0.245 nan 8.230 nan 0.000 0.435 19 A N -0.156 122.648 122.820 -0.027 0.000 1.930 19 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 19 A C 2.266 179.842 177.584 -0.014 0.000 1.175 19 A CA 1.012 53.037 52.037 -0.020 0.000 0.627 19 A CB -0.563 18.425 19.000 -0.020 0.000 0.815 19 A HN 0.327 nan 8.150 nan 0.000 0.443 20 L N -0.461 120.756 121.223 -0.010 0.000 2.046 20 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 20 L C 2.325 179.179 176.870 -0.026 0.000 1.077 20 L CA 2.198 57.038 54.840 -0.000 0.000 0.747 20 L CB -0.823 41.245 42.059 0.015 0.000 0.896 20 L HN 0.472 nan 8.230 nan 0.000 0.432 21 M N -0.776 118.811 119.600 -0.022 0.000 2.213 21 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 21 M C 2.069 178.380 176.300 0.018 0.000 1.062 21 M CA 1.547 56.843 55.300 -0.007 0.000 1.105 21 M CB -0.796 31.798 32.600 -0.010 0.000 1.385 21 M HN 0.365 nan 8.290 nan 0.000 0.417 22 G N 0.190 108.984 108.800 -0.010 0.000 2.404 22 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.215 22 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.215 22 G C 1.200 176.070 174.900 -0.051 0.000 1.174 22 G CA 0.411 45.499 45.100 -0.020 0.000 0.780 22 G HN 0.489 nan 8.290 nan 0.000 0.537 23 E N -0.720 119.433 120.200 -0.078 0.000 2.515 23 E HA 0.087 4.437 4.350 -0.000 0.000 0.201 23 E C 0.093 176.466 176.600 -0.378 0.000 1.071 23 E CA -0.241 56.065 56.400 -0.157 0.000 0.880 23 E CB 0.025 29.667 29.700 -0.098 0.000 0.828 23 E HN 0.428 nan 8.360 nan 0.000 0.540 32 K N 0.767 121.243 120.400 0.126 0.000 2.249 32 K HA 0.566 4.886 4.320 -0.000 0.000 0.280 32 K C -0.384 176.436 176.600 0.367 0.000 1.033 32 K CA -0.089 56.359 56.287 0.267 0.000 0.946 32 K CB 1.669 34.257 32.500 0.146 0.000 1.005 32 K HN 0.135 nan 8.250 nan 0.000 0.469 33 I N 2.417 123.225 120.570 0.396 0.000 2.390 33 I HA 0.055 4.225 4.170 -0.000 0.000 0.283 33 I C -0.537 175.716 176.117 0.226 0.000 1.016 33 I CA -0.744 60.704 61.300 0.246 0.000 1.151 33 I CB 1.343 39.409 38.000 0.110 0.000 1.293 33 I HN 0.497 nan 8.210 nan 0.000 0.458 34 D N 7.006 127.415 120.400 0.014 0.000 2.393 34 D HA 0.243 4.883 4.640 -0.000 0.000 0.232 34 D C -0.063 176.144 176.300 -0.154 0.000 1.192 34 D CA -0.029 53.755 54.000 -0.360 0.000 0.882 34 D CB 1.093 41.374 40.800 -0.865 0.000 1.038 34 D HN 0.271 nan 8.370 nan 0.000 0.499 35 L N 3.580 124.770 121.223 -0.056 0.000 3.202 35 L HA 0.402 4.742 4.340 -0.000 0.000 0.278 35 L C 1.344 178.236 176.870 0.036 0.000 1.268 35 L CA -0.153 54.689 54.840 0.003 0.000 1.034 35 L CB 0.988 43.067 42.059 0.033 0.000 1.407 35 L HN 0.498 nan 8.230 nan 0.000 0.581 36 G N -1.252 107.540 108.800 -0.014 0.000 2.568 36 G HA2 0.092 4.052 3.960 -0.000 0.000 0.212 36 G HA3 0.092 4.052 3.960 -0.000 0.000 0.212 36 G C 0.176 175.105 174.900 0.049 0.000 1.821 36 G CA 0.010 45.117 45.100 0.011 0.000 0.904 36 G HN -0.079 nan 8.290 nan 0.000 0.566 37 V N 1.979 121.901 119.914 0.013 0.000 2.752 37 V HA 0.343 4.463 4.120 -0.000 0.000 0.306 37 V C 1.349 177.554 176.094 0.184 0.000 1.099 37 V CA 0.702 63.043 62.300 0.068 0.000 1.240 37 V CB 0.840 32.672 31.823 0.014 0.000 0.887 37 V HN 0.586 nan 8.190 nan 0.000 0.499 38 G N 6.673 115.674 108.800 0.335 0.000 2.916 38 G HA2 0.443 4.403 3.960 -0.000 0.000 0.280 38 G HA3 0.443 4.403 3.960 -0.000 0.000 0.280 38 G C -0.349 174.757 174.900 0.342 0.000 0.758 38 G CA 0.426 45.874 45.100 0.581 0.000 1.993 38 G HN 1.269 nan 8.290 nan 0.000 0.564 39 V N -0.464 119.548 119.914 0.163 0.000 2.962 39 V HA 0.685 4.805 4.120 -0.000 0.000 0.313 39 V C -0.705 175.451 176.094 0.105 0.000 1.099 39 V CA -2.013 60.347 62.300 0.101 0.000 0.971 39 V CB 1.505 33.181 31.823 -0.245 0.000 1.028 39 V HN 0.342 nan 8.190 nan 0.000 0.430 40 Y N 2.368 122.755 120.300 0.146 0.000 2.309 40 Y HA 0.660 5.210 4.550 -0.000 0.000 0.327 40 Y C 0.053 176.010 175.900 0.095 0.000 1.172 40 Y CA -0.202 57.974 58.100 0.126 0.000 1.280 40 Y CB 0.992 39.605 38.460 0.256 0.000 1.234 40 Y HN 0.822 nan 8.280 nan 0.000 0.512 41 K N 4.586 124.382 120.400 -1.008 0.000 2.426 41 K HA 0.265 4.585 4.320 -0.000 0.000 0.251 41 K C -1.240 174.800 176.600 -0.932 0.000 0.941 41 K CA -1.046 54.791 56.287 -0.750 0.000 0.808 41 K CB 1.518 33.814 32.500 -0.341 0.000 1.265 41 K HN 0.763 nan 8.250 nan 0.000 0.432 42 D N 0.562 120.667 120.400 -0.490 0.000 2.466 42 D HA 0.216 4.856 4.640 -0.000 0.000 0.262 42 D C 0.954 177.170 176.300 -0.139 0.000 1.177 42 D CA -0.576 53.308 54.000 -0.194 0.000 1.035 42 D CB 0.514 41.324 40.800 0.017 0.000 1.105 42 D HN 0.422 nan 8.370 nan 0.000 0.551 43 A N -0.341 122.449 122.820 -0.050 0.000 2.054 43 A HA -0.155 4.165 4.320 -0.000 0.000 0.223 43 A C 1.611 179.129 177.584 -0.110 0.000 1.169 43 A CA 2.350 54.355 52.037 -0.054 0.000 0.655 43 A CB -1.306 17.686 19.000 -0.013 0.000 0.812 43 A HN 0.750 nan 8.150 nan 0.000 0.462 44 T N -4.195 110.248 114.554 -0.184 0.000 3.258 44 T HA 0.464 4.814 4.350 -0.000 0.000 0.259 44 T C 0.947 175.251 174.700 -0.661 0.000 0.963 44 T CA 0.627 62.524 62.100 -0.337 0.000 0.919 44 T CB -0.328 68.369 68.868 -0.285 0.000 1.110 44 T HN 1.673 nan 8.240 nan 0.000 0.550 45 G N 1.711 110.281 108.800 -0.383 0.000 2.341 45 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.292 45 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.292 45 G C -0.265 174.470 174.900 -0.275 0.000 1.021 45 G CA 0.352 45.271 45.100 -0.300 0.000 0.905 45 G HN 0.862 nan 8.290 nan 0.000 0.508 46 H N -1.281 117.740 119.070 -0.081 0.000 2.622 46 H HA 0.595 5.151 4.556 -0.000 0.000 0.363 46 H C -0.266 175.004 175.328 -0.095 0.000 1.151 46 H CA -0.690 55.321 56.048 -0.061 0.000 1.184 46 H CB 1.791 31.543 29.762 -0.018 0.000 1.643 46 H HN 0.079 nan 8.280 nan 0.000 0.531 47 T N 5.087 119.691 114.554 0.083 0.000 3.262 47 T HA 0.159 4.509 4.350 -0.000 0.000 0.374 47 T C -1.941 172.850 174.700 0.152 0.000 1.504 47 T CA -1.240 60.900 62.100 0.066 0.000 1.158 47 T CB -0.033 68.822 68.868 -0.021 0.000 1.157 47 T HN 0.456 nan 8.240 nan 0.000 0.644 48 P HA 0.318 nan 4.420 nan 0.000 0.272 48 P C -0.378 177.050 177.300 0.213 0.000 1.254 48 P CA -0.510 62.696 63.100 0.177 0.000 0.795 48 P CB 1.110 32.920 31.700 0.184 0.000 1.022 49 I N 0.214 120.885 120.570 0.167 0.000 2.392 49 I HA 0.255 4.425 4.170 -0.000 0.000 0.295 49 I C 1.039 177.266 176.117 0.184 0.000 0.985 49 I CA -0.930 60.484 61.300 0.191 0.000 1.221 49 I CB 1.002 39.103 38.000 0.169 0.000 1.366 49 I HN 0.192 nan 8.210 nan 0.000 0.467 50 M N 4.810 124.541 119.600 0.218 0.000 2.248 50 M HA 0.188 4.668 4.480 -0.000 0.000 0.337 50 M C 1.382 177.798 176.300 0.194 0.000 1.121 50 M CA 0.183 55.608 55.300 0.209 0.000 1.155 50 M CB 0.607 33.368 32.600 0.269 0.000 1.514 50 M HN 0.536 nan 8.290 nan 0.000 0.452 51 R N 1.566 122.161 120.500 0.159 0.000 2.096 51 R HA -0.204 4.136 4.340 -0.000 0.000 0.240 51 R C 2.104 178.510 176.300 0.177 0.000 1.139 51 R CA 1.962 58.151 56.100 0.147 0.000 0.952 51 R CB -0.697 29.667 30.300 0.107 0.000 0.854 51 R HN 0.883 nan 8.270 nan 0.000 0.436 52 A N 0.737 123.667 122.820 0.183 0.000 1.902 52 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 52 A C 2.431 180.094 177.584 0.131 0.000 1.181 52 A CA 1.401 53.535 52.037 0.161 0.000 0.623 52 A CB -0.557 18.566 19.000 0.205 0.000 0.818 52 A HN 0.124 nan 8.150 nan 0.000 0.443 53 V N -0.084 119.928 119.914 0.163 0.000 2.287 53 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 53 V C 2.529 178.694 176.094 0.118 0.000 1.053 53 V CA 2.300 64.674 62.300 0.122 0.000 1.027 53 V CB -1.041 30.883 31.823 0.169 0.000 0.646 53 V HN 0.789 nan 8.190 nan 0.000 0.447 54 H N 0.372 119.488 119.070 0.076 0.000 2.321 54 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 54 H C 2.269 177.626 175.328 0.048 0.000 1.087 54 H CA 1.896 57.984 56.048 0.066 0.000 1.319 54 H CB 0.089 29.893 29.762 0.070 0.000 1.379 54 H HN 0.408 nan 8.280 nan 0.000 0.501 55 A N 1.013 123.881 122.820 0.081 0.000 1.972 55 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 55 A C 2.662 180.226 177.584 -0.034 0.000 1.169 55 A CA 1.529 53.576 52.037 0.017 0.000 0.635 55 A CB -0.863 18.181 19.000 0.073 0.000 0.810 55 A HN 0.581 nan 8.150 nan 0.000 0.446 56 A N -0.237 122.566 122.820 -0.029 0.000 1.873 56 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 56 A C 1.938 179.466 177.584 -0.093 0.000 1.186 56 A CA 1.614 53.611 52.037 -0.066 0.000 0.616 56 A CB -0.565 18.381 19.000 -0.090 0.000 0.823 56 A HN 0.597 nan 8.150 nan 0.000 0.442 57 E N -0.413 119.728 120.200 -0.099 0.000 2.118 57 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 57 E C 2.319 178.869 176.600 -0.082 0.000 0.992 57 E CA 1.481 57.837 56.400 -0.073 0.000 0.804 57 E CB -0.164 29.521 29.700 -0.025 0.000 0.741 57 E HN 0.741 nan 8.360 nan 0.000 0.458 58 Q N 0.010 119.718 119.800 -0.154 0.000 2.079 58 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 58 Q C 2.301 178.265 176.000 -0.059 0.000 0.974 58 Q CA 0.822 56.549 55.803 -0.127 0.000 0.840 58 Q CB -0.148 28.496 28.738 -0.156 0.000 0.898 58 Q HN 0.104 nan 8.270 nan 0.000 0.430 59 R N 0.858 121.327 120.500 -0.051 0.000 2.092 59 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 59 R C 1.993 178.281 176.300 -0.020 0.000 1.119 59 R CA 1.138 57.221 56.100 -0.029 0.000 0.970 59 R CB -0.093 30.191 30.300 -0.027 0.000 0.864 59 R HN 0.304 nan 8.270 nan 0.000 0.440 60 M N 0.540 120.125 119.600 -0.025 0.000 2.175 60 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 60 M C 2.257 178.573 176.300 0.026 0.000 1.063 60 M CA 1.014 56.315 55.300 0.002 0.000 1.119 60 M CB -0.239 32.355 32.600 -0.011 0.000 1.377 60 M HN 0.163 nan 8.290 nan 0.000 0.415 61 L N 0.654 121.887 121.223 0.017 0.000 2.187 61 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 61 L C 1.660 178.534 176.870 0.007 0.000 1.100 61 L CA 2.052 56.902 54.840 0.016 0.000 0.765 61 L CB -0.542 41.517 42.059 0.000 0.000 0.904 61 L HN 0.423 nan 8.230 nan 0.000 0.437 62 E N -1.544 118.657 120.200 0.001 0.000 2.307 62 E HA -0.069 4.281 4.350 -0.000 0.000 0.195 62 E C 1.886 178.487 176.600 0.002 0.000 0.975 62 E CA 1.069 57.469 56.400 -0.000 0.000 0.878 62 E CB 0.238 29.936 29.700 -0.003 0.000 0.845 62 E HN 0.589 nan 8.360 nan 0.000 0.488 63 T N -0.727 113.831 114.554 0.006 0.000 2.894 63 T HA 0.005 4.355 4.350 -0.000 0.000 0.258 63 T C 1.099 175.806 174.700 0.011 0.000 1.043 63 T CA 0.144 62.249 62.100 0.008 0.000 1.141 63 T CB 0.069 68.943 68.868 0.011 0.000 0.873 63 T HN -0.153 nan 8.240 nan 0.000 0.449 67 T N 0.355 114.853 114.554 -0.093 0.000 2.792 67 T HA 0.647 4.997 4.350 -0.000 0.000 0.303 67 T C -1.556 173.028 174.700 -0.194 0.000 1.310 67 T CA -0.594 61.428 62.100 -0.129 0.000 1.007 67 T CB 2.140 70.931 68.868 -0.128 0.000 1.335 67 T HN 0.110 nan 8.240 nan 0.000 0.504 68 K N 1.471 121.735 120.400 -0.227 0.000 2.644 68 K HA 0.234 4.554 4.320 -0.000 0.000 0.198 68 K C 0.028 176.417 176.600 -0.352 0.000 1.113 68 K CA -0.290 55.814 56.287 -0.305 0.000 1.073 68 K CB 0.768 33.128 32.500 -0.234 0.000 0.811 68 K HN 0.719 nan 8.250 nan 0.000 0.508 69 T N 0.373 114.737 114.554 -0.318 0.000 2.724 69 T HA -0.021 4.329 4.350 -0.000 0.000 0.324 69 T C 0.316 174.777 174.700 -0.399 0.000 1.071 69 T CA 0.113 62.004 62.100 -0.348 0.000 1.061 69 T CB 0.254 68.991 68.868 -0.219 0.000 0.990 69 T HN -0.019 nan 8.240 nan 0.000 0.543 70 Y N 0.725 120.797 120.300 -0.379 0.000 2.632 70 Y HA 0.367 4.917 4.550 -0.000 0.000 0.329 70 Y C 0.968 176.526 175.900 -0.570 0.000 1.174 70 Y CA -0.142 57.538 58.100 -0.700 0.000 1.469 70 Y CB -0.430 37.527 38.460 -0.838 0.000 1.242 70 Y HN 0.856 nan 8.280 nan 0.000 0.540 71 A N 3.239 125.822 122.820 -0.395 0.000 3.637 71 A HA 0.700 5.020 4.320 -0.000 0.000 0.192 71 A C 0.822 178.424 177.584 0.029 0.000 1.783 71 A CA 0.112 52.057 52.037 -0.154 0.000 1.891 71 A CB -0.732 18.204 19.000 -0.108 0.000 1.430 71 A HN 0.777 nan 8.150 nan 0.000 0.460 72 G N -0.971 107.930 108.800 0.169 0.000 2.338 72 G HA2 0.451 4.411 3.960 -0.000 0.000 0.298 72 G HA3 0.451 4.411 3.960 -0.000 0.000 0.298 72 G C 0.319 175.478 174.900 0.431 0.000 1.140 72 G CA -0.290 44.973 45.100 0.273 0.000 0.860 72 G HN 0.545 nan 8.290 nan 0.000 0.470 73 L N 2.149 123.596 121.223 0.373 0.000 2.201 73 L HA 0.069 4.409 4.340 -0.000 0.000 0.212 73 L C 2.069 179.017 176.870 0.129 0.000 1.105 73 L CA 1.737 56.674 54.840 0.162 0.000 0.775 73 L CB 0.120 42.141 42.059 -0.063 0.000 0.913 73 L HN 0.405 nan 8.230 nan 0.000 0.440 74 S N -0.272 115.519 115.700 0.152 0.000 2.593 74 S HA 0.643 5.113 4.470 -0.000 0.000 0.236 74 S C 0.449 175.156 174.600 0.178 0.000 0.991 74 S CA 0.136 58.420 58.200 0.140 0.000 0.963 74 S CB 0.094 63.358 63.200 0.107 0.000 0.865 74 S HN 0.746 nan 8.310 nan 0.000 0.488 75 G N 1.657 110.578 108.800 0.202 0.000 2.592 75 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.684 75 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.684 75 G C -1.458 173.561 174.900 0.199 0.000 1.291 75 G CA -1.028 44.195 45.100 0.205 0.000 0.891 75 G HN 0.115 nan 8.290 nan 0.000 0.544 76 E N 0.550 120.870 120.200 0.200 0.000 2.277 76 E HA 0.402 4.752 4.350 -0.000 0.000 0.274 76 E C -1.496 175.201 176.600 0.162 0.000 1.022 76 E CA -1.663 54.842 56.400 0.175 0.000 0.853 76 E CB 1.320 31.119 29.700 0.164 0.000 1.086 76 E HN 0.130 nan 8.360 nan 0.000 0.397 77 P HA -0.203 nan 4.420 nan 0.000 0.215 77 P C 0.638 177.975 177.300 0.061 0.000 1.157 77 P CA 1.573 64.718 63.100 0.076 0.000 0.874 77 P CB 0.351 32.087 31.700 0.059 0.000 0.790 78 E N -1.445 118.794 120.200 0.065 0.000 2.118 78 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 78 E C 1.802 178.429 176.600 0.045 0.000 0.992 78 E CA 1.009 57.433 56.400 0.040 0.000 0.804 78 E CB -1.310 28.410 29.700 0.032 0.000 0.741 78 E HN 0.269 nan 8.360 nan 0.000 0.458 79 F N 1.528 121.435 119.950 -0.071 0.000 2.128 79 F HA -0.105 4.422 4.527 -0.000 0.000 0.295 79 F C 2.027 177.787 175.800 -0.067 0.000 1.100 79 F CA 1.478 59.416 58.000 -0.103 0.000 1.260 79 F CB -0.225 38.705 39.000 -0.117 0.000 1.009 79 F HN -0.069 nan 8.300 nan 0.000 0.476 80 Q N 0.279 120.041 119.800 -0.063 0.000 2.061 80 Q HA -0.265 4.075 4.340 -0.000 0.000 0.204 80 Q C 2.301 178.209 176.000 -0.154 0.000 0.984 80 Q CA 2.151 57.878 55.803 -0.127 0.000 0.846 80 Q CB -0.378 28.367 28.738 0.012 0.000 0.902 80 Q HN 0.439 nan 8.270 nan 0.000 0.421 81 K N 0.556 120.901 120.400 -0.092 0.000 2.001 81 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 81 K C 2.123 178.658 176.600 -0.107 0.000 1.048 81 K CA 1.167 57.408 56.287 -0.076 0.000 0.932 81 K CB -0.205 32.273 32.500 -0.037 0.000 0.715 81 K HN 0.150 nan 8.250 nan 0.000 0.437 82 A N 1.220 123.963 122.820 -0.129 0.000 1.933 82 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 82 A C 2.136 179.613 177.584 -0.179 0.000 1.175 82 A CA 1.503 53.462 52.037 -0.130 0.000 0.628 82 A CB -0.409 18.518 19.000 -0.122 0.000 0.814 82 A HN 0.341 nan 8.150 nan 0.000 0.444 83 M N -0.669 118.736 119.600 -0.325 0.000 2.156 83 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 83 M C 2.325 178.516 176.300 -0.182 0.000 1.067 83 M CA 1.390 56.487 55.300 -0.337 0.000 1.131 83 M CB -1.849 30.368 32.600 -0.638 0.000 1.368 83 M HN 0.465 nan 8.290 nan 0.000 0.416 84 G N 0.022 108.727 108.800 -0.158 0.000 2.418 84 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 84 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 84 G C 1.506 176.370 174.900 -0.060 0.000 1.158 84 G CA 0.670 45.715 45.100 -0.091 0.000 0.771 84 G HN 0.517 nan 8.290 nan 0.000 0.545 85 E N -0.268 119.898 120.200 -0.057 0.000 2.072 85 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 85 E C 2.387 178.978 176.600 -0.016 0.000 0.985 85 E CA 0.737 57.118 56.400 -0.032 0.000 0.801 85 E CB -0.193 29.491 29.700 -0.026 0.000 0.750 85 E HN 0.342 nan 8.360 nan 0.000 0.452 86 L N 1.115 122.331 121.223 -0.011 0.000 2.079 86 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 86 L C 1.921 178.804 176.870 0.021 0.000 1.081 86 L CA 1.578 56.437 54.840 0.031 0.000 0.752 86 L CB -0.122 41.974 42.059 0.063 0.000 0.896 86 L HN 0.094 nan 8.230 nan 0.000 0.433 87 I N -1.380 119.186 120.570 -0.006 0.000 2.260 87 I HA -0.219 3.951 4.170 -0.000 0.000 0.237 87 I C 1.902 178.005 176.117 -0.024 0.000 1.075 87 I CA 1.099 62.393 61.300 -0.011 0.000 1.376 87 I CB -0.199 37.789 38.000 -0.020 0.000 1.107 87 I HN 0.099 nan 8.210 nan 0.000 0.420 88 L N 0.275 121.481 121.223 -0.029 0.000 2.592 88 L HA 0.260 4.600 4.340 -0.000 0.000 0.227 88 L C 1.495 178.348 176.870 -0.028 0.000 1.127 88 L CA 0.214 55.035 54.840 -0.032 0.000 0.884 88 L CB -0.730 41.311 42.059 -0.029 0.000 1.065 88 L HN 0.507 nan 8.230 nan 0.000 0.457 89 G N 0.902 109.689 108.800 -0.022 0.000 2.611 89 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.301 89 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.301 89 G C 0.511 175.400 174.900 -0.017 0.000 1.233 89 G CA 0.481 45.571 45.100 -0.017 0.000 0.993 89 G HN 0.324 nan 8.290 nan 0.000 0.553 90 D N 2.480 122.870 120.400 -0.017 0.000 2.336 90 D HA 0.222 4.862 4.640 -0.000 0.000 0.229 90 D C 1.465 177.756 176.300 -0.015 0.000 1.061 90 D CA 0.996 54.987 54.000 -0.014 0.000 0.875 90 D CB -0.347 40.446 40.800 -0.012 0.000 0.904 90 D HN 0.598 nan 8.370 nan 0.000 0.525 96 K N 3.287 123.681 120.400 -0.009 0.000 2.432 96 K HA 0.411 4.731 4.320 -0.000 0.000 0.226 96 K C 1.065 177.662 176.600 -0.005 0.000 1.057 96 K CA -0.152 56.132 56.287 -0.006 0.000 1.034 96 K CB 1.055 33.553 32.500 -0.004 0.000 1.561 96 K HN 0.655 nan 8.250 nan 0.000 0.492 97 S N 1.444 117.141 115.700 -0.005 0.000 2.390 97 S HA -0.319 4.151 4.470 -0.000 0.000 0.234 97 S C 1.802 176.402 174.600 0.001 0.000 1.063 97 S CA 1.836 60.034 58.200 -0.003 0.000 1.108 97 S CB -0.158 63.040 63.200 -0.003 0.000 0.975 97 S HN 0.741 nan 8.310 nan 0.000 0.442 98 E N -0.077 120.124 120.200 0.001 0.000 2.273 98 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 98 E C 1.415 178.017 176.600 0.004 0.000 1.002 98 E CA 1.271 57.673 56.400 0.003 0.000 0.828 98 E CB -0.005 29.697 29.700 0.002 0.000 0.747 98 E HN 0.420 nan 8.360 nan 0.000 0.491 99 T N -0.538 114.018 114.554 0.003 0.000 3.044 99 T HA 0.112 4.462 4.350 -0.000 0.000 0.260 99 T C -0.500 174.203 174.700 0.005 0.000 1.019 99 T CA -0.048 62.054 62.100 0.004 0.000 0.921 99 T CB 0.469 69.339 68.868 0.004 0.000 1.053 99 T HN -0.033 nan 8.240 nan 0.000 0.533 100 T N 2.239 116.795 114.554 0.004 0.000 2.779 100 T HA 0.755 5.105 4.350 -0.000 0.000 0.280 100 T C -0.431 174.273 174.700 0.008 0.000 0.987 100 T CA -0.568 61.534 62.100 0.004 0.000 0.966 100 T CB 1.559 70.425 68.868 -0.003 0.000 0.933 100 T HN 0.214 nan 8.240 nan 0.000 0.442 101 A N 2.979 125.806 122.820 0.013 0.000 2.317 101 A HA 0.792 5.112 4.320 -0.000 0.000 0.327 101 A C 0.062 177.659 177.584 0.022 0.000 1.178 101 A CA -0.670 51.379 52.037 0.020 0.000 0.817 101 A CB 0.733 19.748 19.000 0.024 0.000 1.189 101 A HN 0.730 nan 8.150 nan 0.000 0.489 102 T N 2.723 117.294 114.554 0.030 0.000 2.886 102 T HA 0.592 4.942 4.350 -0.000 0.000 0.292 102 T C -1.038 173.702 174.700 0.068 0.000 1.012 102 T CA -0.407 61.713 62.100 0.033 0.000 0.982 102 T CB 1.236 70.109 68.868 0.008 0.000 1.018 102 T HN 0.564 nan 8.240 nan 0.000 0.451 103 L N 2.598 123.874 121.223 0.088 0.000 2.439 103 L HA 0.718 5.058 4.340 -0.000 0.000 0.270 103 L C -0.392 176.584 176.870 0.175 0.000 0.972 103 L CA -0.846 54.068 54.840 0.123 0.000 0.836 103 L CB 1.314 43.436 42.059 0.105 0.000 1.255 103 L HN 0.883 nan 8.230 nan 0.000 0.404 104 A N 3.349 126.306 122.820 0.229 0.000 2.401 104 A HA 0.617 4.937 4.320 -0.000 0.000 0.259 104 A C 0.332 178.038 177.584 0.204 0.000 1.103 104 A CA 0.175 52.384 52.037 0.286 0.000 0.789 104 A CB 0.431 19.574 19.000 0.238 0.000 1.035 104 A HN 0.787 nan 8.150 nan 0.000 0.491 105 T N -1.823 112.836 114.554 0.176 0.000 2.742 105 T HA 0.538 4.888 4.350 -0.000 0.000 0.282 105 T C -0.508 174.221 174.700 0.048 0.000 1.025 105 T CA -0.617 61.580 62.100 0.161 0.000 1.020 105 T CB 0.858 69.831 68.868 0.174 0.000 1.317 105 T HN 0.551 nan 8.240 nan 0.000 0.538 106 V N 2.121 122.038 119.914 0.005 0.000 2.223 106 V HA 0.575 4.695 4.120 -0.000 0.000 0.249 106 V C 1.354 177.451 176.094 0.004 0.000 1.233 106 V CA 0.656 62.912 62.300 -0.074 0.000 1.131 106 V CB -1.012 30.697 31.823 -0.190 0.000 1.298 106 V HN 1.488 nan 8.190 nan 0.000 0.498 107 G N 4.008 112.815 108.800 0.012 0.000 2.796 107 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.226 107 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.226 107 G C 0.845 175.779 174.900 0.057 0.000 1.381 107 G CA -0.147 44.972 45.100 0.032 0.000 0.867 107 G HN 0.954 nan 8.290 nan 0.000 0.552 108 G N -1.575 107.248 108.800 0.039 0.000 2.408 108 G HA2 0.069 4.029 3.960 -0.000 0.000 0.217 108 G HA3 0.069 4.029 3.960 -0.000 0.000 0.217 108 G C 1.887 176.842 174.900 0.091 0.000 1.150 108 G CA 2.344 47.466 45.100 0.037 0.000 0.776 108 G HN 1.278 nan 8.290 nan 0.000 0.542 109 T N 1.087 115.718 114.554 0.129 0.000 2.720 109 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 109 T C 2.490 177.283 174.700 0.155 0.000 1.037 109 T CA 1.458 63.679 62.100 0.202 0.000 1.144 109 T CB -0.556 68.453 68.868 0.235 0.000 0.864 109 T HN 0.351 nan 8.240 nan 0.000 0.444 110 G N 1.013 109.889 108.800 0.127 0.000 2.422 110 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.218 110 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.218 110 G C 1.806 176.796 174.900 0.151 0.000 1.146 110 G CA 0.859 46.044 45.100 0.141 0.000 0.769 110 G HN 0.591 nan 8.290 nan 0.000 0.547 111 A N 0.416 123.316 122.820 0.133 0.000 1.930 111 A HA 0.158 4.478 4.320 -0.000 0.000 0.217 111 A C 2.421 180.080 177.584 0.124 0.000 1.175 111 A CA 1.098 53.209 52.037 0.124 0.000 0.627 111 A CB -0.323 18.740 19.000 0.106 0.000 0.815 111 A HN 0.355 nan 8.150 nan 0.000 0.443 112 L N -1.187 120.121 121.223 0.142 0.000 2.027 112 L HA -0.165 4.175 4.340 -0.000 0.000 0.206 112 L C 2.759 179.718 176.870 0.148 0.000 1.074 112 L CA 1.712 56.649 54.840 0.161 0.000 0.745 112 L CB -0.409 41.791 42.059 0.235 0.000 0.898 112 L HN 0.378 nan 8.230 nan 0.000 0.433 113 R N 0.243 120.832 120.500 0.148 0.000 2.081 113 R HA -0.206 4.134 4.340 -0.000 0.000 0.235 113 R C 2.233 178.604 176.300 0.118 0.000 1.131 113 R CA 1.572 57.754 56.100 0.135 0.000 0.960 113 R CB -0.424 29.957 30.300 0.134 0.000 0.856 113 R HN 0.170 nan 8.270 nan 0.000 0.436 114 Q N -0.376 119.494 119.800 0.117 0.000 2.170 114 Q HA 0.083 4.423 4.340 -0.000 0.000 0.203 114 Q C 1.851 177.905 176.000 0.090 0.000 0.976 114 Q CA 1.852 57.713 55.803 0.098 0.000 0.858 114 Q CB -0.311 28.491 28.738 0.105 0.000 0.907 114 Q HN 0.468 nan 8.270 nan 0.000 0.433 115 A N -0.144 122.733 122.820 0.096 0.000 1.877 115 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 115 A C 1.987 179.620 177.584 0.081 0.000 1.186 115 A CA 1.311 53.400 52.037 0.086 0.000 0.620 115 A CB -0.747 18.306 19.000 0.089 0.000 0.822 115 A HN 0.400 nan 8.150 nan 0.000 0.443 116 L N -0.611 120.666 121.223 0.090 0.000 2.083 116 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 116 L C 2.635 179.549 176.870 0.074 0.000 1.083 116 L CA 1.146 56.036 54.840 0.083 0.000 0.752 116 L CB -0.542 41.574 42.059 0.094 0.000 0.899 116 L HN 0.357 nan 8.230 nan 0.000 0.433 117 E N 0.102 120.349 120.200 0.077 0.000 2.047 117 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 117 E C 2.156 178.796 176.600 0.067 0.000 0.987 117 E CA 1.049 57.491 56.400 0.070 0.000 0.799 117 E CB -0.311 29.431 29.700 0.071 0.000 0.752 117 E HN 0.281 nan 8.360 nan 0.000 0.449 118 L N 1.153 122.417 121.223 0.069 0.000 1.989 118 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 118 L C 2.272 179.171 176.870 0.049 0.000 1.071 118 L CA 2.276 57.153 54.840 0.061 0.000 0.749 118 L CB -0.813 41.283 42.059 0.061 0.000 0.890 118 L HN 0.049 nan 8.230 nan 0.000 0.431 119 A N -0.484 122.368 122.820 0.052 0.000 1.883 119 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 119 A C 2.559 180.168 177.584 0.042 0.000 1.186 119 A CA 1.942 54.008 52.037 0.048 0.000 0.624 119 A CB -0.736 18.298 19.000 0.056 0.000 0.822 119 A HN 0.517 nan 8.150 nan 0.000 0.444 120 R N -1.021 119.505 120.500 0.044 0.000 2.189 120 R HA -0.031 4.309 4.340 -0.000 0.000 0.223 120 R C 2.001 178.317 176.300 0.028 0.000 1.092 120 R CA 1.414 57.535 56.100 0.035 0.000 0.989 120 R CB -0.267 30.054 30.300 0.034 0.000 0.876 120 R HN 0.594 nan 8.270 nan 0.000 0.457 121 M N -0.712 118.906 119.600 0.031 0.000 2.200 121 M HA -0.039 4.441 4.480 -0.000 0.000 0.265 121 M C 2.263 178.568 176.300 0.009 0.000 1.066 121 M CA 1.607 56.919 55.300 0.021 0.000 1.127 121 M CB 0.030 32.645 32.600 0.025 0.000 1.379 121 M HN 0.234 nan 8.290 nan 0.000 0.420 122 A N -0.139 122.689 122.820 0.014 0.000 2.067 122 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 122 A C 0.713 178.304 177.584 0.013 0.000 1.156 122 A CA 1.032 53.075 52.037 0.010 0.000 0.683 122 A CB -0.213 18.796 19.000 0.015 0.000 0.808 122 A HN 0.495 nan 8.150 nan 0.000 0.455 123 N N -1.506 117.205 118.700 0.019 0.000 2.701 123 N HA 0.308 5.048 4.740 -0.000 0.000 0.258 123 N C -2.826 172.696 175.510 0.020 0.000 1.262 123 N CA -1.493 51.569 53.050 0.021 0.000 0.780 123 N CB 1.314 39.818 38.487 0.029 0.000 1.380 123 N HN -0.232 nan 8.380 nan 0.000 0.548 124 P HA -0.017 nan 4.420 nan 0.000 0.221 124 P C -0.397 176.910 177.300 0.010 0.000 1.145 124 P CA 1.137 64.243 63.100 0.010 0.000 0.795 124 P CB 0.260 31.963 31.700 0.005 0.000 0.775 125 D N -0.481 119.928 120.400 0.015 0.000 2.525 125 D HA 0.065 4.705 4.640 -0.000 0.000 0.229 125 D C 0.687 177.003 176.300 0.026 0.000 1.202 125 D CA -0.076 53.933 54.000 0.016 0.000 0.828 125 D CB 0.257 41.066 40.800 0.015 0.000 1.008 125 D HN 0.116 nan 8.370 nan 0.000 0.493 134 F N 3.947 123.960 119.950 0.105 0.000 2.404 134 F HA 0.827 5.354 4.527 -0.000 0.000 0.339 134 F C 0.422 176.312 175.800 0.149 0.000 1.105 134 F CA -0.573 57.527 58.000 0.166 0.000 1.087 134 F CB 1.952 41.129 39.000 0.294 0.000 1.143 134 F HN 0.473 nan 8.300 nan 0.000 0.491 135 V N -0.623 119.364 119.914 0.121 0.000 3.040 135 V HA 0.774 4.894 4.120 -0.000 0.000 0.312 135 V C -0.348 175.343 176.094 -0.670 0.000 1.115 135 V CA -1.181 61.052 62.300 -0.112 0.000 0.998 135 V CB 1.439 33.226 31.823 -0.059 0.000 1.042 135 V HN 0.772 nan 8.190 nan 0.000 0.433 136 S N 0.622 115.901 115.700 -0.702 0.000 2.565 136 S HA 0.397 4.867 4.470 -0.000 0.000 0.276 136 S C -0.335 174.108 174.600 -0.263 0.000 1.326 136 S CA -0.021 57.690 58.200 -0.815 0.000 1.045 136 S CB 0.846 63.837 63.200 -0.348 0.000 0.918 136 S HN 1.173 nan 8.310 nan 0.000 0.505 137 D N 3.227 123.547 120.400 -0.134 0.000 2.443 137 D HA 0.468 5.108 4.640 -0.000 0.000 0.221 137 D C -2.065 174.313 176.300 0.129 0.000 1.097 137 D CA -1.837 52.174 54.000 0.018 0.000 0.865 137 D CB 0.991 41.818 40.800 0.045 0.000 1.034 137 D HN 0.359 nan 8.370 nan 0.000 0.511 138 P HA 0.369 nan 4.420 nan 0.000 0.287 138 P C -0.617 176.750 177.300 0.112 0.000 1.296 138 P CA -0.532 62.607 63.100 0.065 0.000 0.811 138 P CB 2.000 33.717 31.700 0.028 0.000 1.211 139 T N -1.909 112.713 114.554 0.114 0.000 2.787 139 T HA 0.329 4.679 4.350 -0.000 0.000 0.297 139 T C -1.768 173.088 174.700 0.260 0.000 1.221 139 T CA -0.462 61.767 62.100 0.215 0.000 1.006 139 T CB 0.215 69.274 68.868 0.319 0.000 1.328 139 T HN 0.315 nan 8.240 nan 0.000 0.509 140 W N 4.751 126.138 121.300 0.145 0.000 2.505 140 W HA 0.232 4.892 4.660 -0.000 0.000 0.332 140 W C -1.528 174.941 176.519 -0.083 0.000 1.434 140 W CA -1.705 55.588 57.345 -0.086 0.000 1.320 140 W CB 0.378 29.616 29.460 -0.371 0.000 1.363 140 W HN 0.496 nan 8.180 nan 0.000 0.565 141 P HA -0.318 nan 4.420 nan 0.000 0.217 141 P C 1.196 178.249 177.300 -0.413 0.000 1.151 141 P CA 2.029 64.964 63.100 -0.274 0.000 0.849 141 P CB 0.286 31.822 31.700 -0.274 0.000 0.787 142 N N -1.071 117.090 118.700 -0.898 0.000 2.443 142 N HA -0.140 4.600 4.740 -0.000 0.000 0.184 142 N C 1.696 176.976 175.510 -0.384 0.000 1.037 142 N CA 0.779 53.325 53.050 -0.839 0.000 0.896 142 N CB -0.817 36.736 38.487 -1.556 0.000 0.959 142 N HN 0.392 nan 8.380 nan 0.000 0.442 143 H N -1.445 117.535 119.070 -0.151 0.000 2.293 143 H HA -0.027 4.529 4.556 -0.000 0.000 0.300 143 H C 1.810 177.134 175.328 -0.007 0.000 1.082 143 H CA 1.468 57.538 56.048 0.035 0.000 1.308 143 H CB 0.247 30.077 29.762 0.113 0.000 1.375 143 H HN -0.003 nan 8.280 nan 0.000 0.495 144 V N 0.637 120.611 119.914 0.100 0.000 2.427 144 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 144 V C 2.562 178.665 176.094 0.016 0.000 1.051 144 V CA 1.704 64.029 62.300 0.043 0.000 1.048 144 V CB -0.533 31.299 31.823 0.014 0.000 0.666 144 V HN 0.579 nan 8.190 nan 0.000 0.456 145 S N 0.682 116.360 115.700 -0.036 0.000 2.359 145 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 145 S C 1.982 176.600 174.600 0.030 0.000 1.035 145 S CA 1.821 60.000 58.200 -0.035 0.000 1.018 145 S CB -0.718 62.412 63.200 -0.116 0.000 0.876 145 S HN 0.537 nan 8.310 nan 0.000 0.448 146 I N 1.239 121.825 120.570 0.026 0.000 2.226 146 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 146 I C 2.842 179.055 176.117 0.161 0.000 1.100 146 I CA 1.695 63.055 61.300 0.100 0.000 1.374 146 I CB -0.446 37.609 38.000 0.092 0.000 1.057 146 I HN 0.316 nan 8.210 nan 0.000 0.413 147 M N 0.344 120.011 119.600 0.112 0.000 2.117 147 M HA -0.202 4.278 4.480 -0.000 0.000 0.262 147 M C 1.931 178.276 176.300 0.076 0.000 1.065 147 M CA 2.083 57.436 55.300 0.089 0.000 1.114 147 M CB -0.662 31.976 32.600 0.063 0.000 1.361 147 M HN 0.276 nan 8.290 nan 0.000 0.408 148 N N -0.042 118.704 118.700 0.077 0.000 2.084 148 N HA -0.182 4.558 4.740 -0.000 0.000 0.190 148 N C 1.626 177.192 175.510 0.092 0.000 1.030 148 N CA 1.211 54.299 53.050 0.063 0.000 0.849 148 N CB -0.274 38.246 38.487 0.056 0.000 1.012 148 N HN 0.167 nan 8.380 nan 0.000 0.423 149 F N 1.792 121.735 119.950 -0.010 0.000 2.095 149 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 149 F C 2.060 177.859 175.800 -0.001 0.000 1.104 149 F CA 1.435 59.430 58.000 -0.007 0.000 1.232 149 F CB -0.214 38.782 39.000 -0.008 0.000 0.987 149 F HN -0.016 nan 8.300 nan 0.000 0.475 150 M N -0.426 119.173 119.600 -0.003 0.000 2.557 150 M HA 0.097 4.577 4.480 -0.000 0.000 0.259 150 M C 1.556 177.791 176.300 -0.109 0.000 1.086 150 M CA 1.161 56.399 55.300 -0.103 0.000 1.096 150 M CB -0.599 32.023 32.600 0.036 0.000 1.424 150 M HN 0.419 nan 8.290 nan 0.000 0.488 151 G N 0.877 109.634 108.800 -0.071 0.000 2.136 151 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.242 151 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.242 151 G C -0.142 174.740 174.900 -0.029 0.000 0.989 151 G CA -0.377 44.689 45.100 -0.057 0.000 0.682 151 G HN 0.241 nan 8.290 nan 0.000 0.522 155 V N 2.687 122.550 119.914 -0.084 0.000 2.435 155 V HA 0.577 4.697 4.120 -0.000 0.000 0.290 155 V C -0.099 175.894 176.094 -0.169 0.000 1.030 155 V CA -0.437 61.801 62.300 -0.104 0.000 0.881 155 V CB 1.755 33.548 31.823 -0.050 0.000 0.983 155 V HN 0.475 nan 8.190 nan 0.000 0.445 156 Q N 1.971 121.602 119.800 -0.282 0.000 2.399 156 Q HA 0.676 5.016 4.340 -0.000 0.000 0.276 156 Q C -0.521 175.379 176.000 -0.168 0.000 1.098 156 Q CA -0.707 54.888 55.803 -0.346 0.000 0.827 156 Q CB 2.884 31.110 28.738 -0.854 0.000 1.386 156 Q HN 0.909 nan 8.270 nan 0.000 0.443 157 T N -1.485 113.046 114.554 -0.039 0.000 2.887 157 T HA 0.662 5.011 4.350 -0.000 0.000 0.288 157 T C -0.898 173.920 174.700 0.196 0.000 1.021 157 T CA -0.704 61.411 62.100 0.025 0.000 1.000 157 T CB 0.735 69.593 68.868 -0.017 0.000 1.034 157 T HN 0.498 nan 8.240 nan 0.000 0.467 158 Y N -0.120 120.311 120.300 0.218 0.000 2.364 158 Y HA 0.739 5.289 4.550 -0.000 0.000 0.340 158 Y C 0.129 176.133 175.900 0.173 0.000 0.975 158 Y CA -1.764 56.455 58.100 0.199 0.000 1.089 158 Y CB 1.013 39.593 38.460 0.200 0.000 1.192 158 Y HN 0.690 nan 8.280 nan 0.000 0.454 159 R N 2.101 122.788 120.500 0.311 0.000 2.698 159 R HA 0.041 4.381 4.340 -0.000 0.000 0.266 159 R C -0.736 175.789 176.300 0.375 0.000 1.026 159 R CA 0.848 57.090 56.100 0.236 0.000 1.102 159 R CB 0.207 30.586 30.300 0.132 0.000 0.978 159 R HN 0.977 nan 8.270 nan 0.000 0.436 160 Y N 1.749 122.143 120.300 0.157 0.000 3.213 160 Y HA 0.177 4.727 4.550 -0.000 0.000 0.208 160 Y C -0.631 175.331 175.900 0.102 0.000 1.044 160 Y CA -0.432 57.765 58.100 0.161 0.000 1.520 160 Y CB 0.246 38.812 38.460 0.176 0.000 1.447 160 Y HN 0.482 nan 8.280 nan 0.000 0.393 161 F N 3.341 123.401 119.950 0.184 0.000 2.384 161 F HA 0.342 4.869 4.527 -0.000 0.000 0.338 161 F C -0.123 175.676 175.800 -0.002 0.000 1.103 161 F CA -0.561 57.472 58.000 0.055 0.000 1.157 161 F CB 0.577 39.622 39.000 0.075 0.000 1.167 161 F HN 0.071 nan 8.300 nan 0.000 0.529 162 D N 4.726 124.655 120.400 -0.786 0.000 2.373 162 D HA 0.310 4.950 4.640 -0.000 0.000 0.227 162 D C 0.688 176.505 176.300 -0.804 0.000 1.091 162 D CA 0.102 53.761 54.000 -0.568 0.000 0.840 162 D CB 1.833 42.387 40.800 -0.410 0.000 1.060 162 D HN 0.769 nan 8.370 nan 0.000 0.502 163 A N 4.579 127.181 122.820 -0.363 0.000 1.892 163 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 163 A C 1.830 179.277 177.584 -0.228 0.000 1.188 163 A CA 1.535 53.469 52.037 -0.173 0.000 0.631 163 A CB -0.233 18.758 19.000 -0.016 0.000 0.822 163 A HN 0.717 nan 8.150 nan 0.000 0.447 164 E N -1.140 118.929 120.200 -0.219 0.000 2.016 164 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 164 E C 2.235 178.693 176.600 -0.236 0.000 0.985 164 E CA 1.644 57.931 56.400 -0.189 0.000 0.802 164 E CB -0.328 29.293 29.700 -0.132 0.000 0.762 164 E HN 0.809 nan 8.360 nan 0.000 0.448 165 T N -1.803 112.598 114.554 -0.256 0.000 3.088 165 T HA 0.069 4.419 4.350 -0.000 0.000 0.259 165 T C 0.880 175.409 174.700 -0.284 0.000 1.122 165 T CA 0.317 62.285 62.100 -0.221 0.000 1.095 165 T CB 0.112 68.881 68.868 -0.166 0.000 0.930 165 T HN 0.022 nan 8.240 nan 0.000 0.508 166 R N 0.006 120.210 120.500 -0.494 0.000 3.989 166 R HA -0.108 4.232 4.340 -0.000 0.000 0.377 166 R C 0.759 176.945 176.300 -0.189 0.000 1.158 166 R CA 0.900 56.691 56.100 -0.516 0.000 1.035 166 R CB -1.992 27.954 30.300 -0.590 0.000 1.557 166 R HN 0.738 nan 8.270 nan 0.000 0.551 167 G N -1.499 107.131 108.800 -0.283 0.000 2.782 167 G HA2 0.578 4.538 3.960 -0.000 0.000 0.201 167 G HA3 0.578 4.538 3.960 -0.000 0.000 0.201 167 G C -0.760 174.000 174.900 -0.233 0.000 1.374 167 G CA -0.153 44.886 45.100 -0.102 0.000 1.039 167 G HN 0.045 nan 8.290 nan 0.000 0.576 168 V N 0.733 120.525 119.914 -0.203 0.000 2.427 168 V HA 0.228 4.348 4.120 -0.000 0.000 0.286 168 V C -0.481 175.490 176.094 -0.206 0.000 1.034 168 V CA -0.381 61.728 62.300 -0.319 0.000 0.893 168 V CB 1.544 33.097 31.823 -0.450 0.000 0.982 168 V HN 0.697 nan 8.190 nan 0.000 0.452 169 D N 3.276 123.562 120.400 -0.191 0.000 2.608 169 D HA 0.067 4.707 4.640 -0.000 0.000 0.224 169 D C 0.815 177.083 176.300 -0.053 0.000 1.123 169 D CA -0.100 53.840 54.000 -0.100 0.000 1.030 169 D CB -0.119 40.635 40.800 -0.077 0.000 1.093 169 D HN 0.421 nan 8.370 nan 0.000 0.497 170 F N 1.616 121.455 119.950 -0.185 0.000 2.171 170 F HA -0.098 4.429 4.527 -0.000 0.000 0.300 170 F C 1.915 177.649 175.800 -0.110 0.000 1.090 170 F CA 1.225 59.125 58.000 -0.167 0.000 1.293 170 F CB 0.205 39.108 39.000 -0.163 0.000 1.013 170 F HN 0.231 nan 8.300 nan 0.000 0.486 171 E N -0.276 119.878 120.200 -0.077 0.000 2.110 171 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 171 E C 2.453 178.954 176.600 -0.165 0.000 0.988 171 E CA 1.287 57.607 56.400 -0.134 0.000 0.804 171 E CB -0.896 28.775 29.700 -0.047 0.000 0.745 171 E HN 0.438 nan 8.360 nan 0.000 0.458 172 G N 0.029 108.758 108.800 -0.117 0.000 2.408 172 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.215 172 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.215 172 G C 1.580 176.427 174.900 -0.088 0.000 1.156 172 G CA 0.614 45.668 45.100 -0.076 0.000 0.793 172 G HN 0.240 nan 8.290 nan 0.000 0.535 173 M N 0.413 119.931 119.600 -0.136 0.000 2.080 173 M HA -0.029 4.451 4.480 -0.000 0.000 0.260 173 M C 2.467 178.593 176.300 -0.291 0.000 1.068 173 M CA 1.588 56.807 55.300 -0.134 0.000 1.109 173 M CB -0.132 32.369 32.600 -0.166 0.000 1.342 173 M HN 0.073 nan 8.290 nan 0.000 0.405 174 K N 0.207 120.321 120.400 -0.475 0.000 2.097 174 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 174 K C 2.059 178.509 176.600 -0.250 0.000 1.049 174 K CA 1.316 57.337 56.287 -0.444 0.000 0.933 174 K CB -0.354 31.814 32.500 -0.552 0.000 0.717 174 K HN 0.475 nan 8.250 nan 0.000 0.442 175 A N 2.371 125.080 122.820 -0.184 0.000 1.865 175 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 175 A C 1.717 179.264 177.584 -0.063 0.000 1.191 175 A CA 2.072 54.049 52.037 -0.101 0.000 0.623 175 A CB -0.500 18.460 19.000 -0.066 0.000 0.826 175 A HN 0.196 nan 8.150 nan 0.000 0.444 176 D N 0.011 120.393 120.400 -0.030 0.000 2.117 176 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 176 D C 1.942 178.223 176.300 -0.031 0.000 0.982 176 D CA 0.957 54.986 54.000 0.048 0.000 0.828 176 D CB -0.394 40.508 40.800 0.170 0.000 0.967 176 D HN 0.453 nan 8.370 nan 0.000 0.464 177 L N 0.763 121.885 121.223 -0.167 0.000 2.131 177 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 177 L C 2.432 179.145 176.870 -0.261 0.000 1.092 177 L CA 0.790 55.437 54.840 -0.322 0.000 0.759 177 L CB -0.406 41.433 42.059 -0.366 0.000 0.903 177 L HN -0.026 nan 8.230 nan 0.000 0.435 178 A N 0.035 122.757 122.820 -0.163 0.000 2.070 178 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 178 A C 2.393 179.931 177.584 -0.076 0.000 1.159 178 A CA 1.546 53.515 52.037 -0.113 0.000 0.656 178 A CB -0.434 18.516 19.000 -0.084 0.000 0.800 178 A HN 0.409 nan 8.150 nan 0.000 0.453 179 A N -0.608 122.182 122.820 -0.051 0.000 2.169 179 A HA 0.569 4.889 4.320 -0.000 0.000 0.212 179 A C 1.388 179.002 177.584 0.049 0.000 1.153 179 A CA 0.683 52.738 52.037 0.031 0.000 0.756 179 A CB -0.690 18.379 19.000 0.114 0.000 0.813 179 A HN 0.956 nan 8.150 nan 0.000 0.471 180 A N 0.491 123.227 122.820 -0.141 0.000 2.498 180 A HA 0.440 4.760 4.320 -0.000 0.000 0.239 180 A C 0.499 178.065 177.584 -0.031 0.000 1.068 180 A CA 0.138 52.058 52.037 -0.194 0.000 0.766 180 A CB 0.175 18.772 19.000 -0.671 0.000 1.003 180 A HN 0.494 nan 8.150 nan 0.000 0.497 181 K N 0.715 121.154 120.400 0.066 0.000 2.354 181 K HA 0.379 4.699 4.320 -0.000 0.000 0.238 181 K C -0.230 176.393 176.600 0.039 0.000 1.068 181 K CA -1.117 55.199 56.287 0.048 0.000 0.925 181 K CB 0.599 33.140 32.500 0.069 0.000 1.286 181 K HN 0.533 nan 8.250 nan 0.000 0.500 182 K N 0.628 121.047 120.400 0.032 0.000 2.326 182 K HA 0.078 4.398 4.320 -0.000 0.000 0.275 182 K C 0.669 177.295 176.600 0.044 0.000 1.018 182 K CA 1.199 57.504 56.287 0.029 0.000 0.962 182 K CB 0.671 33.183 32.500 0.021 0.000 0.953 182 K HN 0.838 nan 8.250 nan 0.000 0.475 183 G N 3.169 111.996 108.800 0.046 0.000 2.217 183 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.246 183 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.246 183 G C -0.030 174.918 174.900 0.079 0.000 0.990 183 G CA 0.244 45.376 45.100 0.054 0.000 0.627 183 G HN 0.618 nan 8.290 nan 0.000 0.522 184 D N 0.196 120.660 120.400 0.107 0.000 2.354 184 D HA 0.602 5.242 4.640 -0.000 0.000 0.247 184 D C 0.623 177.015 176.300 0.153 0.000 1.138 184 D CA 0.033 54.140 54.000 0.178 0.000 0.958 184 D CB 1.019 42.008 40.800 0.314 0.000 1.144 184 D HN 0.390 nan 8.370 nan 0.000 0.458 185 M N 0.854 120.579 119.600 0.208 0.000 2.465 185 M HA 0.471 4.951 4.480 -0.000 0.000 0.316 185 M C -1.857 174.586 176.300 0.238 0.000 1.121 185 M CA -0.757 54.643 55.300 0.166 0.000 0.934 185 M CB 1.708 34.387 32.600 0.132 0.000 1.692 185 M HN 0.005 nan 8.290 nan 0.000 0.444 186 V N 5.179 125.188 119.914 0.157 0.000 2.409 186 V HA 0.411 4.531 4.120 -0.000 0.000 0.291 186 V C -0.863 175.341 176.094 0.183 0.000 1.020 186 V CA -0.843 61.568 62.300 0.186 0.000 0.848 186 V CB 1.505 33.335 31.823 0.012 0.000 0.990 186 V HN 0.756 nan 8.190 nan 0.000 0.430 187 L N 6.913 128.275 121.223 0.232 0.000 2.260 187 L HA 0.537 4.877 4.340 -0.000 0.000 0.289 187 L C -0.760 176.233 176.870 0.205 0.000 1.057 187 L CA 0.223 55.132 54.840 0.115 0.000 0.811 187 L CB 0.628 42.647 42.059 -0.067 0.000 1.184 187 L HN 0.382 nan 8.230 nan 0.000 0.429 188 L N 5.168 126.504 121.223 0.188 0.000 2.346 188 L HA 0.425 4.765 4.340 -0.000 0.000 0.276 188 L C -0.030 177.014 176.870 0.291 0.000 1.006 188 L CA -0.453 54.572 54.840 0.309 0.000 0.817 188 L CB 1.611 43.874 42.059 0.341 0.000 1.272 188 L HN 0.576 nan 8.230 nan 0.000 0.421 189 H N 2.228 121.459 119.070 0.269 0.000 2.668 189 H HA 0.102 4.658 4.556 -0.000 0.000 0.303 189 H C 1.032 176.617 175.328 0.429 0.000 1.074 189 H CA 0.141 56.347 56.048 0.263 0.000 1.406 189 H CB 1.480 31.346 29.762 0.174 0.000 1.442 189 H HN 0.891 nan 8.280 nan 0.000 0.482 190 G N 3.041 112.109 108.800 0.446 0.000 2.475 190 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.220 190 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.220 190 G C 0.627 175.784 174.900 0.429 0.000 1.125 190 G CA 1.163 46.496 45.100 0.389 0.000 0.755 190 G HN 0.784 nan 8.290 nan 0.000 0.565 191 C N -5.319 114.225 119.300 0.405 0.000 3.249 191 C HA 0.469 4.929 4.460 -0.000 0.000 0.350 191 C C 0.457 175.647 174.990 0.332 0.000 1.431 191 C CA -1.043 58.190 59.018 0.358 0.000 1.209 191 C CB 0.530 28.418 27.740 0.246 0.000 1.546 191 C HN 0.844 nan 8.230 nan 0.000 0.450 192 C N 2.074 121.525 119.300 0.252 0.000 3.349 192 C HA -0.127 4.333 4.460 -0.000 0.000 0.275 192 C C 0.613 175.710 174.990 0.179 0.000 1.322 192 C CA 1.148 60.254 59.018 0.148 0.000 2.261 192 C CB -3.289 24.476 27.740 0.043 0.000 1.446 192 C HN 1.218 nan 8.230 nan 0.000 0.533 193 H N 2.127 121.251 119.070 0.089 0.000 3.157 193 H HA 0.059 4.615 4.556 -0.000 0.000 0.299 193 H C 0.492 175.793 175.328 -0.047 0.000 0.961 193 H CA 1.184 57.183 56.048 -0.081 0.000 1.428 193 H CB 0.458 30.108 29.762 -0.186 0.000 1.459 193 H HN 0.720 nan 8.280 nan 0.000 0.566 194 N N 7.123 125.651 118.700 -0.287 0.000 2.419 194 N HA 0.141 4.881 4.740 -0.000 0.000 0.277 194 N C -2.020 173.308 175.510 -0.304 0.000 1.006 194 N CA -2.268 50.749 53.050 -0.055 0.000 0.923 194 N CB 1.688 40.228 38.487 0.088 0.000 1.140 194 N HN 0.369 nan 8.380 nan 0.000 0.488 195 P HA 0.044 nan 4.420 nan 0.000 0.252 195 P C 0.892 178.190 177.300 -0.003 0.000 1.218 195 P CA 0.526 63.577 63.100 -0.083 0.000 0.807 195 P CB 0.300 31.926 31.700 -0.122 0.000 1.072 196 T N -3.317 111.257 114.554 0.034 0.000 2.737 196 T HA 0.088 4.438 4.350 -0.000 0.000 0.265 196 T C 1.828 176.414 174.700 -0.190 0.000 1.038 196 T CA 1.761 63.730 62.100 -0.218 0.000 1.144 196 T CB -1.375 67.242 68.868 -0.419 0.000 0.866 196 T HN 0.203 nan 8.240 nan 0.000 0.434 197 G N 1.364 110.128 108.800 -0.060 0.000 2.175 197 G HA2 0.016 3.976 3.960 -0.000 0.000 0.244 197 G HA3 0.016 3.976 3.960 -0.000 0.000 0.244 197 G C 0.228 174.943 174.900 -0.308 0.000 0.982 197 G CA 0.020 45.029 45.100 -0.152 0.000 0.641 197 G HN 1.267 nan 8.290 nan 0.000 0.527 198 A N 0.355 123.024 122.820 -0.251 0.000 2.320 198 A HA 0.686 5.006 4.320 -0.000 0.000 0.287 198 A C 0.142 177.821 177.584 0.158 0.000 1.181 198 A CA -0.204 51.825 52.037 -0.013 0.000 0.831 198 A CB 0.369 19.473 19.000 0.172 0.000 1.102 198 A HN 0.366 nan 8.150 nan 0.000 0.513 199 N N 1.847 120.639 118.700 0.153 0.000 2.240 199 N HA 0.419 5.159 4.740 -0.000 0.000 0.302 199 N C -0.929 174.641 175.510 0.101 0.000 1.106 199 N CA -0.543 52.632 53.050 0.208 0.000 0.778 199 N CB 1.686 40.315 38.487 0.237 0.000 1.431 199 N HN 0.563 nan 8.380 nan 0.000 0.479 200 L N 0.970 122.236 121.223 0.072 0.000 2.452 200 L HA 0.214 4.553 4.340 -0.000 0.000 0.267 200 L C 1.463 178.373 176.870 0.066 0.000 1.188 200 L CA -0.183 54.583 54.840 -0.123 0.000 0.821 200 L CB 0.388 42.146 42.059 -0.501 0.000 1.102 200 L HN 0.629 nan 8.230 nan 0.000 0.470 201 T N -1.009 113.527 114.554 -0.030 0.000 2.902 201 T HA 0.196 4.546 4.350 -0.000 0.000 0.280 201 T C 0.850 175.677 174.700 0.212 0.000 0.992 201 T CA -0.821 61.324 62.100 0.074 0.000 1.015 201 T CB 1.272 70.122 68.868 -0.031 0.000 1.044 201 T HN 0.428 nan 8.240 nan 0.000 0.520 202 L N 0.678 122.025 121.223 0.207 0.000 2.187 202 L HA -0.009 4.331 4.340 -0.000 0.000 0.213 202 L C 1.862 178.828 176.870 0.160 0.000 1.100 202 L CA 1.810 56.781 54.840 0.219 0.000 0.765 202 L CB -1.012 41.096 42.059 0.083 0.000 0.904 202 L HN 0.718 nan 8.230 nan 0.000 0.437 203 D N -1.043 119.388 120.400 0.052 0.000 2.144 203 D HA -0.173 4.467 4.640 -0.000 0.000 0.200 203 D C 2.178 178.442 176.300 -0.060 0.000 0.978 203 D CA 1.039 55.037 54.000 -0.003 0.000 0.833 203 D CB 0.008 40.778 40.800 -0.049 0.000 0.961 203 D HN 0.499 nan 8.370 nan 0.000 0.470 204 Q N -1.090 118.579 119.800 -0.217 0.000 2.172 204 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 204 Q C 2.007 177.943 176.000 -0.105 0.000 0.964 204 Q CA 0.786 56.252 55.803 -0.563 0.000 0.855 204 Q CB -0.082 28.009 28.738 -1.080 0.000 0.918 204 Q HN 0.413 nan 8.270 nan 0.000 0.444 205 W N 0.527 121.808 121.300 -0.032 0.000 2.388 205 W HA -0.088 4.572 4.660 -0.000 0.000 0.294 205 W C 2.462 179.018 176.519 0.061 0.000 1.212 205 W CA 1.015 58.392 57.345 0.053 0.000 1.271 205 W CB -0.151 29.334 29.460 0.042 0.000 1.126 205 W HN 0.132 nan 8.180 nan 0.000 0.535 206 A N 0.153 123.135 122.820 0.271 0.000 1.933 206 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 206 A C 1.761 179.437 177.584 0.153 0.000 1.175 206 A CA 1.812 53.953 52.037 0.172 0.000 0.628 206 A CB -0.675 18.392 19.000 0.112 0.000 0.814 206 A HN 0.365 nan 8.150 nan 0.000 0.444 207 E N -0.458 119.848 120.200 0.177 0.000 2.072 207 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 207 E C 1.849 178.540 176.600 0.153 0.000 0.985 207 E CA 0.970 57.484 56.400 0.190 0.000 0.801 207 E CB -0.167 29.733 29.700 0.334 0.000 0.750 207 E HN 0.506 nan 8.360 nan 0.000 0.452 208 I N 1.108 121.792 120.570 0.190 0.000 2.286 208 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 208 I C 2.448 178.610 176.117 0.075 0.000 1.115 208 I CA 1.050 62.396 61.300 0.077 0.000 1.392 208 I CB -1.407 36.616 38.000 0.038 0.000 1.065 208 I HN 0.022 nan 8.210 nan 0.000 0.418 209 A N 0.192 123.095 122.820 0.138 0.000 1.972 209 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 209 A C 2.580 180.202 177.584 0.062 0.000 1.169 209 A CA 1.954 54.059 52.037 0.113 0.000 0.635 209 A CB -0.593 18.488 19.000 0.134 0.000 0.810 209 A HN 0.427 nan 8.150 nan 0.000 0.446 210 S N -0.036 115.698 115.700 0.056 0.000 2.345 210 S HA -0.103 4.367 4.470 -0.000 0.000 0.220 210 S C 1.832 176.433 174.600 0.003 0.000 1.031 210 S CA 1.437 59.655 58.200 0.030 0.000 0.996 210 S CB -0.497 62.723 63.200 0.033 0.000 0.882 210 S HN 0.561 nan 8.310 nan 0.000 0.445 211 I N 1.614 122.174 120.570 -0.017 0.000 2.163 211 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 211 I C 2.211 178.294 176.117 -0.056 0.000 1.085 211 I CA 1.185 62.451 61.300 -0.056 0.000 1.347 211 I CB -0.507 37.430 38.000 -0.105 0.000 1.044 211 I HN 0.230 nan 8.210 nan 0.000 0.408 212 L N 0.741 121.939 121.223 -0.042 0.000 2.013 212 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 212 L C 2.631 179.490 176.870 -0.017 0.000 1.073 212 L CA 2.038 56.856 54.840 -0.035 0.000 0.753 212 L CB -0.704 41.354 42.059 -0.001 0.000 0.890 212 L HN 0.444 nan 8.230 nan 0.000 0.432 213 E N -0.245 119.954 120.200 -0.002 0.000 2.478 213 E HA -0.173 4.177 4.350 -0.000 0.000 0.198 213 E C 1.773 178.370 176.600 -0.005 0.000 1.046 213 E CA 0.597 56.998 56.400 0.003 0.000 0.870 213 E CB 0.033 29.740 29.700 0.012 0.000 0.818 213 E HN 0.466 nan 8.360 nan 0.000 0.527 214 K N 0.545 120.936 120.400 -0.015 0.000 2.202 214 K HA -0.007 4.313 4.320 -0.000 0.000 0.201 214 K C 2.310 178.896 176.600 -0.023 0.000 1.051 214 K CA 1.464 57.740 56.287 -0.018 0.000 0.977 214 K CB 0.212 32.699 32.500 -0.023 0.000 0.792 214 K HN 0.240 nan 8.250 nan 0.000 0.469 215 T N -2.603 111.929 114.554 -0.037 0.000 2.978 215 T HA 0.085 4.435 4.350 -0.000 0.000 0.262 215 T C 1.576 176.261 174.700 -0.025 0.000 1.063 215 T CA 0.840 62.914 62.100 -0.043 0.000 1.140 215 T CB 0.099 68.916 68.868 -0.085 0.000 0.886 215 T HN 0.322 nan 8.240 nan 0.000 0.470 216 G N 1.526 110.315 108.800 -0.019 0.000 2.159 216 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.256 216 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.256 216 G C 0.262 175.162 174.900 0.000 0.000 0.977 216 G CA -0.005 45.093 45.100 -0.003 0.000 0.652 216 G HN 1.228 nan 8.290 nan 0.000 0.531 217 A N 0.031 122.840 122.820 -0.019 0.000 2.492 217 A HA 0.619 4.939 4.320 -0.000 0.000 0.254 217 A C 0.543 178.134 177.584 0.011 0.000 1.091 217 A CA 0.254 52.283 52.037 -0.013 0.000 0.768 217 A CB 0.544 19.494 19.000 -0.083 0.000 1.028 217 A HN 1.634 nan 8.150 nan 0.000 0.498 218 L N 6.151 127.396 121.223 0.037 0.000 2.418 218 L HA 0.410 4.750 4.340 -0.000 0.000 0.274 218 L C -2.088 174.818 176.870 0.059 0.000 1.135 218 L CA -1.286 53.582 54.840 0.047 0.000 0.870 218 L CB 0.600 42.691 42.059 0.054 0.000 1.154 218 L HN 0.447 nan 8.230 nan 0.000 0.462 219 P HA 0.235 nan 4.420 nan 0.000 0.294 219 P C -1.413 175.941 177.300 0.090 0.000 1.294 219 P CA -0.658 62.493 63.100 0.084 0.000 0.827 219 P CB 1.843 33.604 31.700 0.101 0.000 0.992 220 L N 4.920 126.201 121.223 0.096 0.000 2.313 220 L HA 0.517 4.857 4.340 -0.000 0.000 0.283 220 L C -0.847 176.079 176.870 0.094 0.000 1.013 220 L CA -0.634 54.255 54.840 0.083 0.000 0.816 220 L CB 0.787 42.887 42.059 0.068 0.000 1.236 220 L HN 0.247 nan 8.230 nan 0.000 0.419 221 I N 4.370 124.998 120.570 0.096 0.000 2.362 221 I HA 0.288 4.458 4.170 -0.000 0.000 0.289 221 I C -0.716 175.450 176.117 0.082 0.000 0.994 221 I CA -0.519 60.854 61.300 0.121 0.000 1.158 221 I CB 1.607 39.690 38.000 0.138 0.000 1.315 221 I HN 0.544 nan 8.210 nan 0.000 0.451 222 D N 7.165 127.600 120.400 0.057 0.000 2.411 222 D HA 0.220 4.860 4.640 -0.000 0.000 0.225 222 D C -0.967 175.371 176.300 0.064 0.000 1.156 222 D CA -0.318 53.699 54.000 0.030 0.000 0.874 222 D CB 0.948 41.721 40.800 -0.046 0.000 1.034 222 D HN 0.175 nan 8.370 nan 0.000 0.502 223 L N 4.092 125.349 121.223 0.057 0.000 2.321 223 L HA 0.552 4.892 4.340 -0.000 0.000 0.272 223 L C 0.554 177.436 176.870 0.019 0.000 1.050 223 L CA -0.223 54.661 54.840 0.072 0.000 0.893 223 L CB 0.712 42.810 42.059 0.065 0.000 1.272 223 L HN 0.436 nan 8.230 nan 0.000 0.435 224 A N 3.714 126.522 122.820 -0.020 0.000 2.167 224 A HA 0.192 4.512 4.320 -0.000 0.000 0.208 224 A C 0.539 177.922 177.584 -0.335 0.000 1.198 224 A CA 0.347 52.244 52.037 -0.233 0.000 0.863 224 A CB 0.065 18.797 19.000 -0.446 0.000 0.904 224 A HN 0.614 nan 8.150 nan 0.000 0.484 225 Y N 0.238 120.595 120.300 0.095 0.000 2.716 225 Y HA 0.287 4.837 4.550 -0.000 0.000 0.260 225 Y C 0.654 176.727 175.900 0.288 0.000 1.141 225 Y CA -0.743 57.472 58.100 0.193 0.000 1.168 225 Y CB 0.100 38.607 38.460 0.078 0.000 1.189 225 Y HN 0.398 nan 8.280 nan 0.000 0.549 226 Q N 1.145 121.112 119.800 0.277 0.000 2.292 226 Q HA 0.264 4.604 4.340 -0.000 0.000 0.290 226 Q C 1.018 177.079 176.000 0.102 0.000 1.161 226 Q CA 1.471 57.378 55.803 0.173 0.000 0.974 226 Q CB -0.211 28.596 28.738 0.114 0.000 1.136 226 Q HN 0.779 nan 8.270 nan 0.000 0.398 227 G N 3.235 112.048 108.800 0.021 0.000 2.367 227 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.181 227 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.181 227 G C 0.095 174.772 174.900 -0.372 0.000 1.000 227 G CA -0.082 44.873 45.100 -0.242 0.000 0.693 227 G HN 0.624 nan 8.290 nan 0.000 0.480 228 F N 1.520 121.455 119.950 -0.024 0.000 2.731 228 F HA 0.385 4.912 4.527 -0.000 0.000 0.298 228 F C 2.344 178.111 175.800 -0.055 0.000 1.106 228 F CA 0.981 58.950 58.000 -0.051 0.000 1.329 228 F CB 0.492 39.477 39.000 -0.025 0.000 1.100 228 F HN 0.273 nan 8.300 nan 0.000 0.592 229 G N -0.272 108.602 108.800 0.124 0.000 2.655 229 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.217 229 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.217 229 G C 1.009 175.927 174.900 0.030 0.000 1.279 229 G CA 0.785 45.935 45.100 0.083 0.000 0.870 229 G HN 0.166 nan 8.290 nan 0.000 0.560 230 D N -0.402 120.003 120.400 0.009 0.000 2.514 230 D HA 0.347 4.987 4.640 -0.000 0.000 0.225 230 D C 0.999 177.263 176.300 -0.059 0.000 1.159 230 D CA 0.858 54.847 54.000 -0.018 0.000 0.823 230 D CB 2.212 43.013 40.800 0.002 0.000 1.097 230 D HN 0.557 nan 8.370 nan 0.000 0.519 234 E N 0.866 121.029 120.200 -0.061 0.000 2.072 234 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 234 E C 1.524 178.096 176.600 -0.048 0.000 0.985 234 E CA 1.478 57.851 56.400 -0.045 0.000 0.801 234 E CB 0.131 29.805 29.700 -0.043 0.000 0.750 234 E HN 0.334 nan 8.360 nan 0.000 0.452 235 E N 1.478 121.649 120.200 -0.048 0.000 2.110 235 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 235 E C 1.357 177.938 176.600 -0.032 0.000 0.988 235 E CA 1.162 57.539 56.400 -0.038 0.000 0.804 235 E CB -0.114 29.569 29.700 -0.029 0.000 0.745 235 E HN 0.084 nan 8.360 nan 0.000 0.458 236 D N -0.533 119.857 120.400 -0.017 0.000 2.264 236 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 236 D C 1.250 177.537 176.300 -0.022 0.000 0.966 236 D CA 1.180 55.189 54.000 0.014 0.000 0.864 236 D CB -0.100 40.730 40.800 0.050 0.000 0.933 236 D HN 0.303 nan 8.370 nan 0.000 0.499 237 A N 0.338 123.128 122.820 -0.050 0.000 2.218 237 A HA 0.367 4.687 4.320 -0.000 0.000 0.209 237 A C 2.151 179.641 177.584 -0.156 0.000 1.168 237 A CA 0.876 52.863 52.037 -0.083 0.000 0.804 237 A CB -0.080 18.891 19.000 -0.049 0.000 0.834 237 A HN 0.143 nan 8.150 nan 0.000 0.482 238 A N 0.358 123.082 122.820 -0.160 0.000 1.859 238 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 238 A C 2.418 179.788 177.584 -0.357 0.000 1.209 238 A CA 2.215 54.135 52.037 -0.195 0.000 0.639 238 A CB -1.534 17.383 19.000 -0.140 0.000 0.835 238 A HN 0.796 nan 8.150 nan 0.000 0.450 239 G N -1.564 106.838 108.800 -0.663 0.000 2.446 239 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 239 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 239 G C 1.575 175.888 174.900 -0.978 0.000 1.168 239 G CA 1.793 46.065 45.100 -1.380 0.000 0.771 239 G HN 0.473 nan 8.290 nan 0.000 0.551 240 T N 0.572 114.724 114.554 -0.669 0.000 2.746 240 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 240 T C 2.483 177.063 174.700 -0.199 0.000 1.039 240 T CA 1.259 63.158 62.100 -0.334 0.000 1.142 240 T CB -0.145 68.613 68.868 -0.182 0.000 0.866 240 T HN 0.287 nan 8.240 nan 0.000 0.444 241 R N 0.319 120.706 120.500 -0.189 0.000 2.115 241 R HA 0.121 4.461 4.340 -0.000 0.000 0.230 241 R C 2.453 178.696 176.300 -0.096 0.000 1.111 241 R CA 0.753 56.785 56.100 -0.114 0.000 0.976 241 R CB -0.442 29.799 30.300 -0.098 0.000 0.870 241 R HN 0.326 nan 8.270 nan 0.000 0.445 242 L N 0.661 121.803 121.223 -0.134 0.000 2.027 242 L HA -0.137 4.203 4.340 -0.000 0.000 0.206 242 L C 2.010 178.871 176.870 -0.015 0.000 1.074 242 L CA 1.252 56.051 54.840 -0.068 0.000 0.745 242 L CB -0.088 41.928 42.059 -0.071 0.000 0.898 242 L HN 0.107 nan 8.230 nan 0.000 0.433 243 I N 0.507 121.066 120.570 -0.018 0.000 2.179 243 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 243 I C 2.794 178.928 176.117 0.028 0.000 1.088 243 I CA 1.512 62.845 61.300 0.056 0.000 1.357 243 I CB -1.619 36.442 38.000 0.102 0.000 1.051 243 I HN 0.358 nan 8.210 nan 0.000 0.409 244 A N 1.061 123.879 122.820 -0.003 0.000 2.024 244 A HA -0.186 4.133 4.320 -0.000 0.000 0.220 244 A C 2.478 180.062 177.584 0.000 0.000 1.164 244 A CA 2.127 54.164 52.037 -0.001 0.000 0.643 244 A CB -0.625 18.365 19.000 -0.016 0.000 0.806 244 A HN 0.603 nan 8.150 nan 0.000 0.451 245 S N -0.889 114.809 115.700 -0.004 0.000 2.425 245 S HA -0.001 4.469 4.470 -0.000 0.000 0.225 245 S C 2.011 176.617 174.600 0.010 0.000 1.024 245 S CA 0.641 58.841 58.200 -0.000 0.000 0.951 245 S CB -0.217 62.980 63.200 -0.006 0.000 0.796 245 S HN 0.588 nan 8.310 nan 0.000 0.498 246 R N 0.379 120.891 120.500 0.019 0.000 2.055 246 R HA 0.281 4.621 4.340 -0.000 0.000 0.221 246 R C 0.204 176.520 176.300 0.026 0.000 1.154 246 R CA 0.416 56.531 56.100 0.026 0.000 0.975 246 R CB -0.280 30.043 30.300 0.039 0.000 0.869 246 R HN 0.366 nan 8.270 nan 0.000 0.437 247 I N 4.340 124.929 120.570 0.032 0.000 2.452 247 I HA 0.048 4.218 4.170 -0.000 0.000 0.287 247 I C -1.291 174.840 176.117 0.024 0.000 1.079 247 I CA -2.341 58.977 61.300 0.030 0.000 1.387 247 I CB 0.402 38.427 38.000 0.041 0.000 1.404 247 I HN 0.018 nan 8.210 nan 0.000 0.522 248 P HA -0.104 nan 4.420 nan 0.000 0.222 248 P C 0.224 177.534 177.300 0.017 0.000 1.147 248 P CA 1.127 64.236 63.100 0.015 0.000 0.790 248 P CB 0.714 32.422 31.700 0.013 0.000 0.780 249 E N -0.161 120.052 120.200 0.021 0.000 2.265 249 E HA 0.400 4.750 4.350 -0.000 0.000 0.262 249 E C -1.293 175.326 176.600 0.031 0.000 0.889 249 E CA -0.764 55.650 56.400 0.024 0.000 0.789 249 E CB 2.452 32.166 29.700 0.023 0.000 1.221 249 E HN -0.160 nan 8.360 nan 0.000 0.414 250 V N 1.865 121.799 119.914 0.032 0.000 3.078 250 V HA 0.682 4.802 4.120 -0.000 0.000 0.311 250 V C -1.987 174.132 176.094 0.042 0.000 1.138 250 V CA -0.830 61.495 62.300 0.042 0.000 1.007 250 V CB 1.814 33.664 31.823 0.044 0.000 1.045 250 V HN 0.449 nan 8.190 nan 0.000 0.432 251 L N 4.503 125.757 121.223 0.051 0.000 2.333 251 L HA 0.688 5.027 4.340 -0.000 0.000 0.280 251 L C -0.440 176.463 176.870 0.055 0.000 1.004 251 L CA -0.287 54.584 54.840 0.052 0.000 0.820 251 L CB 1.446 43.539 42.059 0.058 0.000 1.247 251 L HN 0.667 nan 8.230 nan 0.000 0.416 252 I N 2.927 123.526 120.570 0.047 0.000 2.418 252 I HA 0.606 4.776 4.170 -0.000 0.000 0.287 252 I C -0.112 176.034 176.117 0.048 0.000 1.008 252 I CA -0.684 60.644 61.300 0.046 0.000 1.104 252 I CB 1.977 39.994 38.000 0.029 0.000 1.264 252 I HN 0.661 nan 8.210 nan 0.000 0.438 253 A N 5.550 128.404 122.820 0.057 0.000 2.280 253 A HA 0.833 5.153 4.320 -0.000 0.000 0.320 253 A C 0.004 177.616 177.584 0.047 0.000 1.366 253 A CA -0.369 51.706 52.037 0.063 0.000 0.938 253 A CB 0.405 19.454 19.000 0.081 0.000 1.157 253 A HN 0.774 nan 8.150 nan 0.000 0.536 254 A N 1.996 124.841 122.820 0.043 0.000 2.306 254 A HA 0.815 5.135 4.320 -0.000 0.000 0.330 254 A C 0.215 177.822 177.584 0.037 0.000 1.146 254 A CA -0.310 51.747 52.037 0.034 0.000 0.827 254 A CB 1.113 20.128 19.000 0.025 0.000 1.178 254 A HN 1.305 nan 8.150 nan 0.000 0.490 255 S N -0.116 115.596 115.700 0.019 0.000 2.532 255 S HA 0.398 4.868 4.470 -0.000 0.000 0.299 255 S C -0.055 174.578 174.600 0.055 0.000 1.105 255 S CA -0.553 57.650 58.200 0.006 0.000 1.018 255 S CB 0.928 64.074 63.200 -0.089 0.000 1.021 255 S HN 0.775 nan 8.310 nan 0.000 0.483 256 C N 3.315 122.663 119.300 0.081 0.000 2.855 256 C HA 0.249 4.709 4.460 -0.000 0.000 0.279 256 C C 2.395 177.440 174.990 0.091 0.000 1.270 256 C CA -0.228 58.901 59.018 0.185 0.000 1.702 256 C CB -1.645 26.130 27.740 0.059 0.000 1.949 256 C HN 0.886 nan 8.230 nan 0.000 0.618 257 S N 2.065 117.725 115.700 -0.066 0.000 2.353 257 S HA -0.182 4.288 4.470 -0.000 0.000 0.222 257 S C 1.887 176.124 174.600 -0.605 0.000 1.035 257 S CA 1.651 59.683 58.200 -0.280 0.000 1.025 257 S CB -0.028 63.049 63.200 -0.206 0.000 0.902 257 S HN 0.671 nan 8.310 nan 0.000 0.440 258 K N 1.698 121.889 120.400 -0.347 0.000 2.078 258 K HA 0.079 4.399 4.320 -0.000 0.000 0.203 258 K C 1.771 178.535 176.600 0.274 0.000 1.043 258 K CA 1.042 57.219 56.287 -0.184 0.000 0.960 258 K CB -0.269 32.105 32.500 -0.210 0.000 0.761 258 K HN 0.374 nan 8.250 nan 0.000 0.448 259 N N 0.134 119.055 118.700 0.368 0.000 2.520 259 N HA -0.125 4.615 4.740 -0.000 0.000 0.185 259 N C 0.756 176.361 175.510 0.157 0.000 1.068 259 N CA 1.208 54.432 53.050 0.290 0.000 0.911 259 N CB -0.198 38.408 38.487 0.197 0.000 0.961 259 N HN 0.126 nan 8.380 nan 0.000 0.446 260 F N -0.818 119.263 119.950 0.220 0.000 2.728 260 F HA 0.421 4.948 4.527 -0.000 0.000 0.314 260 F C 1.596 177.445 175.800 0.081 0.000 1.094 260 F CA 0.056 58.143 58.000 0.144 0.000 1.217 260 F CB 0.340 39.301 39.000 -0.065 0.000 1.056 260 F HN 0.146 nan 8.300 nan 0.000 0.577 261 G N 2.350 111.222 108.800 0.120 0.000 2.305 261 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.287 261 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.287 261 G C 0.490 175.450 174.900 0.099 0.000 1.036 261 G CA 0.682 45.819 45.100 0.061 0.000 0.887 261 G HN 0.612 nan 8.290 nan 0.000 0.505 262 I N -3.849 116.697 120.570 -0.040 0.000 3.158 262 I HA 0.424 4.594 4.170 -0.000 0.000 0.344 262 I C 1.555 177.708 176.117 0.059 0.000 1.459 262 I CA -1.286 60.057 61.300 0.072 0.000 0.956 262 I CB -0.301 37.721 38.000 0.037 0.000 1.793 262 I HN 0.011 nan 8.210 nan 0.000 0.522 263 Y N 2.628 122.989 120.300 0.102 0.000 2.030 263 Y HA -0.333 4.217 4.550 -0.000 0.000 0.272 263 Y C 2.862 178.794 175.900 0.053 0.000 1.185 263 Y CA 2.545 60.690 58.100 0.075 0.000 1.120 263 Y CB -0.710 37.798 38.460 0.080 0.000 0.955 263 Y HN 0.454 nan 8.280 nan 0.000 0.495 264 R N 0.414 121.062 120.500 0.246 0.000 2.280 264 R HA -0.066 4.274 4.340 -0.000 0.000 0.207 264 R C 1.292 177.641 176.300 0.082 0.000 1.043 264 R CA 1.268 57.448 56.100 0.133 0.000 1.006 264 R CB -0.375 29.989 30.300 0.107 0.000 0.885 264 R HN 0.293 nan 8.270 nan 0.000 0.467 265 E N 1.307 121.555 120.200 0.080 0.000 2.274 265 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 265 E C -0.136 176.464 176.600 -0.000 0.000 0.996 265 E CA 0.257 56.684 56.400 0.046 0.000 0.840 265 E CB 0.009 29.738 29.700 0.047 0.000 0.772 265 E HN 0.177 nan 8.360 nan 0.000 0.491 266 R N 0.388 120.890 120.500 0.004 0.000 2.983 266 R HA -0.116 4.224 4.340 -0.000 0.000 0.272 266 R C -0.250 176.014 176.300 -0.059 0.000 0.926 266 R CA 0.907 56.996 56.100 -0.017 0.000 0.667 266 R CB -3.112 27.170 30.300 -0.030 0.000 1.540 266 R HN 0.311 nan 8.270 nan 0.000 0.467 267 T N -1.555 112.965 114.554 -0.057 0.000 2.921 267 T HA 0.803 5.153 4.350 -0.000 0.000 0.297 267 T C 0.228 174.940 174.700 0.019 0.000 1.013 267 T CA 0.358 62.406 62.100 -0.087 0.000 0.990 267 T CB 2.372 71.106 68.868 -0.223 0.000 1.023 267 T HN 0.775 nan 8.240 nan 0.000 0.447 268 G N 1.092 109.956 108.800 0.107 0.000 2.561 268 G HA2 0.711 4.671 3.960 -0.000 0.000 0.310 268 G HA3 0.711 4.671 3.960 -0.000 0.000 0.310 268 G C -0.782 174.273 174.900 0.259 0.000 1.292 268 G CA -0.097 45.105 45.100 0.170 0.000 0.811 268 G HN 1.916 nan 8.290 nan 0.000 0.482 269 C N -1.694 117.708 119.300 0.169 0.000 3.292 269 C HA 0.811 5.271 4.460 -0.000 0.000 0.338 269 C C -1.736 173.309 174.990 0.091 0.000 1.323 269 C CA -0.958 58.156 59.018 0.160 0.000 1.232 269 C CB 0.734 28.559 27.740 0.142 0.000 1.517 269 C HN 1.374 nan 8.230 nan 0.000 0.470 270 L N 1.745 123.021 121.223 0.089 0.000 2.341 270 L HA 0.853 5.193 4.340 -0.000 0.000 0.278 270 L C -0.984 175.915 176.870 0.048 0.000 1.005 270 L CA -0.664 54.218 54.840 0.069 0.000 0.818 270 L CB 1.362 43.471 42.059 0.083 0.000 1.259 270 L HN 0.831 nan 8.230 nan 0.000 0.418 271 L N 5.289 126.532 121.223 0.033 0.000 2.313 271 L HA 0.812 5.152 4.340 -0.000 0.000 0.283 271 L C -0.246 176.641 176.870 0.027 0.000 1.013 271 L CA -0.702 54.150 54.840 0.019 0.000 0.816 271 L CB 1.800 43.860 42.059 0.001 0.000 1.236 271 L HN 0.784 nan 8.230 nan 0.000 0.419 272 A N 5.473 128.308 122.820 0.026 0.000 2.293 272 A HA 0.644 4.964 4.320 -0.000 0.000 0.312 272 A C -0.560 177.036 177.584 0.020 0.000 1.309 272 A CA -0.470 51.584 52.037 0.028 0.000 0.839 272 A CB 0.447 19.466 19.000 0.031 0.000 1.155 272 A HN 0.648 nan 8.150 nan 0.000 0.501 273 L N 2.633 123.868 121.223 0.019 0.000 2.281 273 L HA 0.341 4.681 4.340 -0.000 0.000 0.285 273 L C -0.347 176.533 176.870 0.016 0.000 1.074 273 L CA -0.383 54.465 54.840 0.014 0.000 0.817 273 L CB 0.620 42.687 42.059 0.013 0.000 1.168 273 L HN 0.722 nan 8.230 nan 0.000 0.434 274 C N 1.200 120.507 119.300 0.012 0.000 2.505 274 C HA 0.589 5.048 4.460 -0.000 0.000 0.358 274 C C 1.575 176.571 174.990 0.009 0.000 1.226 274 C CA -0.622 58.403 59.018 0.012 0.000 1.900 274 C CB 1.403 29.149 27.740 0.010 0.000 2.306 274 C HN 0.931 nan 8.230 nan 0.000 0.512 275 A N 0.267 123.093 122.820 0.009 0.000 2.066 275 A HA 0.122 4.442 4.320 -0.000 0.000 0.218 275 A C 0.628 178.215 177.584 0.005 0.000 1.157 275 A CA 1.580 53.622 52.037 0.007 0.000 0.670 275 A CB -0.333 18.672 19.000 0.007 0.000 0.804 275 A HN 1.003 nan 8.150 nan 0.000 0.453 276 D N -4.320 116.083 120.400 0.005 0.000 2.692 276 D HA 0.431 5.071 4.640 -0.000 0.000 0.303 276 D C 0.663 176.965 176.300 0.003 0.000 1.278 276 D CA 0.054 54.056 54.000 0.004 0.000 0.852 276 D CB 1.005 41.806 40.800 0.003 0.000 1.375 276 D HN -0.007 nan 8.370 nan 0.000 0.453 277 A N 0.237 123.058 122.820 0.003 0.000 1.930 277 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 277 A C 2.143 179.728 177.584 0.002 0.000 1.175 277 A CA 2.591 54.629 52.037 0.003 0.000 0.627 277 A CB -1.024 17.978 19.000 0.003 0.000 0.815 277 A HN 0.684 nan 8.150 nan 0.000 0.443 278 A N -0.658 122.163 122.820 0.000 0.000 1.845 278 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 278 A C 2.307 179.890 177.584 -0.002 0.000 1.195 278 A CA 2.337 54.373 52.037 -0.002 0.000 0.616 278 A CB -1.462 17.536 19.000 -0.003 0.000 0.832 278 A HN 0.424 nan 8.150 nan 0.000 0.443 279 T N -0.393 114.161 114.554 -0.001 0.000 2.759 279 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 279 T C 2.061 176.762 174.700 0.002 0.000 1.042 279 T CA 1.407 63.507 62.100 -0.000 0.000 1.140 279 T CB -0.280 68.589 68.868 0.003 0.000 0.864 279 T HN 0.434 nan 8.240 nan 0.000 0.455 280 R N 0.996 121.498 120.500 0.004 0.000 2.092 280 R HA -0.069 4.271 4.340 -0.000 0.000 0.231 280 R C 2.148 178.452 176.300 0.006 0.000 1.119 280 R CA 1.393 57.497 56.100 0.007 0.000 0.970 280 R CB -0.269 30.035 30.300 0.007 0.000 0.864 280 R HN 0.255 nan 8.270 nan 0.000 0.440 281 E N 0.773 120.975 120.200 0.003 0.000 2.106 281 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 281 E C 2.040 178.638 176.600 -0.003 0.000 0.984 281 E CA 0.788 57.190 56.400 0.002 0.000 0.806 281 E CB -0.240 29.460 29.700 -0.000 0.000 0.750 281 E HN 0.279 nan 8.360 nan 0.000 0.458 282 L N -0.337 120.881 121.223 -0.009 0.000 1.976 282 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 282 L C 2.376 179.237 176.870 -0.014 0.000 1.071 282 L CA 1.374 56.202 54.840 -0.019 0.000 0.746 282 L CB -0.634 41.413 42.059 -0.021 0.000 0.890 282 L HN 0.180 nan 8.230 nan 0.000 0.432 283 A N -0.592 122.227 122.820 -0.002 0.000 1.873 283 A HA -0.354 3.966 4.320 -0.000 0.000 0.218 283 A C 2.147 179.742 177.584 0.019 0.000 1.193 283 A CA 2.284 54.327 52.037 0.010 0.000 0.629 283 A CB -0.768 18.241 19.000 0.016 0.000 0.826 283 A HN 0.464 nan 8.150 nan 0.000 0.447 284 Q N -0.266 119.546 119.800 0.020 0.000 2.096 284 Q HA -0.078 4.262 4.340 -0.000 0.000 0.204 284 Q C 1.966 177.986 176.000 0.032 0.000 0.982 284 Q CA 2.324 58.145 55.803 0.029 0.000 0.850 284 Q CB -1.056 27.698 28.738 0.026 0.000 0.901 284 Q HN 0.546 nan 8.270 nan 0.000 0.422 285 G N -0.351 108.459 108.800 0.016 0.000 2.404 285 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 285 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 285 G C 1.466 176.382 174.900 0.027 0.000 1.174 285 G CA 0.943 46.051 45.100 0.013 0.000 0.780 285 G HN 0.529 nan 8.290 nan 0.000 0.537 286 A N 0.248 123.067 122.820 -0.001 0.000 2.019 286 A HA 0.090 4.410 4.320 -0.000 0.000 0.219 286 A C 2.421 180.079 177.584 0.124 0.000 1.164 286 A CA 1.667 53.712 52.037 0.013 0.000 0.644 286 A CB -0.302 18.683 19.000 -0.024 0.000 0.805 286 A HN 0.407 nan 8.150 nan 0.000 0.449 287 M N -0.938 118.713 119.600 0.086 0.000 2.156 287 M HA -0.050 4.430 4.480 -0.000 0.000 0.264 287 M C 2.541 178.887 176.300 0.078 0.000 1.067 287 M CA 1.212 56.562 55.300 0.083 0.000 1.131 287 M CB -0.276 32.364 32.600 0.067 0.000 1.368 287 M HN 0.465 nan 8.290 nan 0.000 0.416 288 A N 0.215 123.082 122.820 0.078 0.000 1.877 288 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 288 A C 1.999 179.602 177.584 0.030 0.000 1.186 288 A CA 1.455 53.520 52.037 0.046 0.000 0.620 288 A CB -1.092 17.937 19.000 0.048 0.000 0.822 288 A HN 0.551 nan 8.150 nan 0.000 0.443 289 F N 0.137 120.040 119.950 -0.080 0.000 2.126 289 F HA -0.185 4.341 4.527 -0.000 0.000 0.299 289 F C 1.771 177.499 175.800 -0.119 0.000 1.096 289 F CA 1.657 59.600 58.000 -0.096 0.000 1.255 289 F CB -0.223 38.738 39.000 -0.066 0.000 0.997 289 F HN 0.162 nan 8.300 nan 0.000 0.479 290 L N 1.016 122.273 121.223 0.057 0.000 2.127 290 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 290 L C 1.982 178.678 176.870 -0.290 0.000 1.089 290 L CA 1.593 56.378 54.840 -0.092 0.000 0.757 290 L CB -1.526 40.558 42.059 0.042 0.000 0.899 290 L HN 0.191 nan 8.230 nan 0.000 0.434 291 N N -0.981 117.550 118.700 -0.280 0.000 2.250 291 N HA -0.090 4.649 4.740 -0.000 0.000 0.181 291 N C 1.972 177.142 175.510 -0.566 0.000 1.017 291 N CA 0.687 53.451 53.050 -0.478 0.000 0.866 291 N CB -0.089 38.278 38.487 -0.200 0.000 0.985 291 N HN 0.210 nan 8.380 nan 0.000 0.429 292 R N 0.518 120.761 120.500 -0.427 0.000 2.083 292 R HA -0.041 4.299 4.340 -0.000 0.000 0.237 292 R C 0.938 176.979 176.300 -0.432 0.000 1.137 292 R CA 1.212 57.057 56.100 -0.425 0.000 0.951 292 R CB 0.111 30.192 30.300 -0.364 0.000 0.851 292 R HN 0.217 nan 8.270 nan 0.000 0.434 293 Q N -0.803 118.680 119.800 -0.528 0.000 2.444 293 Q HA 0.016 4.356 4.340 -0.000 0.000 0.206 293 Q C 0.880 176.674 176.000 -0.343 0.000 0.948 293 Q CA 0.834 56.365 55.803 -0.455 0.000 0.946 293 Q CB 0.974 29.342 28.738 -0.617 0.000 1.027 293 Q HN 0.347 nan 8.270 nan 0.000 0.513 294 T N -1.006 113.293 114.554 -0.426 0.000 3.019 294 T HA 0.054 4.404 4.350 -0.000 0.000 0.247 294 T C 0.336 174.907 174.700 -0.215 0.000 0.992 294 T CA 0.519 62.405 62.100 -0.358 0.000 1.036 294 T CB 0.255 68.822 68.868 -0.502 0.000 1.063 294 T HN 0.423 nan 8.240 nan 0.000 0.476 295 Y N -0.819 119.438 120.300 -0.071 0.000 3.088 295 Y HA 0.622 5.172 4.550 -0.000 0.000 0.293 295 Y C 0.497 176.366 175.900 -0.051 0.000 1.016 295 Y CA -0.418 57.660 58.100 -0.037 0.000 1.285 295 Y CB -0.402 38.057 38.460 -0.000 0.000 1.373 295 Y HN 0.112 nan 8.280 nan 0.000 0.589 296 S N 0.246 115.883 115.700 -0.105 0.000 4.074 296 S HA -0.251 4.219 4.470 -0.000 0.000 0.626 296 S C -0.143 174.382 174.600 -0.125 0.000 1.989 296 S CA 0.709 58.778 58.200 -0.218 0.000 4.158 296 S CB -1.661 61.467 63.200 -0.120 0.000 0.211 296 S HN 0.452 nan 8.310 nan 0.000 0.599 297 F N 4.940 124.968 119.950 0.130 0.000 2.496 297 F HA 0.461 4.988 4.527 -0.000 0.000 0.344 297 F C -1.179 174.774 175.800 0.254 0.000 1.155 297 F CA -0.489 57.613 58.000 0.169 0.000 1.302 297 F CB 0.066 39.151 39.000 0.141 0.000 1.159 297 F HN 0.355 nan 8.300 nan 0.000 0.595 298 P HA 0.257 nan 4.420 nan 0.000 0.284 298 P C -2.708 174.658 177.300 0.111 0.000 1.258 298 P CA -1.943 61.271 63.100 0.190 0.000 0.824 298 P CB 0.538 32.357 31.700 0.198 0.000 1.038 299 P HA 0.023 nan 4.420 nan 0.000 0.261 299 P C 0.204 177.518 177.300 0.024 0.000 1.183 299 P CA 0.260 63.362 63.100 0.003 0.000 0.761 299 P CB -0.041 31.616 31.700 -0.071 0.000 0.785 300 F N 3.523 123.428 119.950 -0.074 0.000 2.262 300 F HA -0.034 4.493 4.527 -0.000 0.000 0.292 300 F C 2.340 178.061 175.800 -0.132 0.000 1.081 300 F CA 1.048 58.980 58.000 -0.113 0.000 1.355 300 F CB -0.468 38.489 39.000 -0.072 0.000 1.069 300 F HN 0.381 nan 8.300 nan 0.000 0.506 301 H N -0.010 119.050 119.070 -0.016 0.000 2.292 301 H HA -0.161 4.395 4.556 -0.000 0.000 0.292 301 H C 2.415 177.548 175.328 -0.326 0.000 1.100 301 H CA 2.366 58.323 56.048 -0.152 0.000 1.238 301 H CB -0.864 28.886 29.762 -0.021 0.000 1.355 301 H HN 0.381 nan 8.280 nan 0.000 0.484 302 G N -0.644 107.987 108.800 -0.281 0.000 2.402 302 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 302 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 302 G C 1.912 176.481 174.900 -0.552 0.000 1.162 302 G CA 0.808 45.696 45.100 -0.352 0.000 0.777 302 G HN 0.624 nan 8.290 nan 0.000 0.539 303 A N 0.792 123.175 122.820 -0.727 0.000 1.940 303 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 303 A C 2.213 179.340 177.584 -0.763 0.000 1.176 303 A CA 2.375 53.750 52.037 -1.103 0.000 0.631 303 A CB -0.359 17.788 19.000 -1.422 0.000 0.814 303 A HN 0.336 nan 8.150 nan 0.000 0.446 304 K N 0.159 120.029 120.400 -0.883 0.000 2.148 304 K HA 0.037 4.357 4.320 -0.000 0.000 0.204 304 K C 1.559 177.847 176.600 -0.521 0.000 1.050 304 K CA 1.265 57.084 56.287 -0.780 0.000 0.942 304 K CB -0.490 31.323 32.500 -1.146 0.000 0.724 304 K HN 0.545 nan 8.250 nan 0.000 0.446 305 I N -0.478 119.761 120.570 -0.551 0.000 2.202 305 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 305 I C 1.953 177.820 176.117 -0.417 0.000 1.091 305 I CA 0.818 61.863 61.300 -0.425 0.000 1.368 305 I CB -0.200 37.563 38.000 -0.395 0.000 1.058 305 I HN -0.073 nan 8.210 nan 0.000 0.410 306 V N 1.085 120.672 119.914 -0.546 0.000 2.233 306 V HA -0.321 3.799 4.120 -0.000 0.000 0.247 306 V C 2.695 178.552 176.094 -0.396 0.000 1.050 306 V CA 2.470 64.327 62.300 -0.739 0.000 1.010 306 V CB -0.865 30.554 31.823 -0.674 0.000 0.637 306 V HN 0.614 nan 8.190 nan 0.000 0.444 307 S N -0.744 114.840 115.700 -0.193 0.000 2.368 307 S HA -0.247 4.223 4.470 -0.000 0.000 0.225 307 S C 1.952 176.477 174.600 -0.124 0.000 1.030 307 S CA 2.021 60.155 58.200 -0.110 0.000 0.999 307 S CB -0.997 62.186 63.200 -0.028 0.000 0.844 307 S HN 0.566 nan 8.310 nan 0.000 0.459 308 T N 2.143 116.604 114.554 -0.155 0.000 2.720 308 T HA -0.056 4.294 4.350 -0.000 0.000 0.268 308 T C 1.860 176.506 174.700 -0.089 0.000 1.037 308 T CA 1.520 63.551 62.100 -0.114 0.000 1.144 308 T CB -0.608 68.180 68.868 -0.133 0.000 0.864 308 T HN 0.295 nan 8.240 nan 0.000 0.444 309 V N 1.055 120.896 119.914 -0.122 0.000 2.270 309 V HA -0.078 4.042 4.120 -0.000 0.000 0.245 309 V C 2.423 178.490 176.094 -0.045 0.000 1.043 309 V CA 1.179 63.436 62.300 -0.072 0.000 1.014 309 V CB -0.543 31.220 31.823 -0.100 0.000 0.645 309 V HN 0.312 nan 8.190 nan 0.000 0.447 310 L N 0.908 122.079 121.223 -0.086 0.000 2.127 310 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 310 L C 2.522 179.386 176.870 -0.011 0.000 1.089 310 L CA 2.655 57.471 54.840 -0.040 0.000 0.757 310 L CB -1.381 40.635 42.059 -0.071 0.000 0.899 310 L HN 0.655 nan 8.230 nan 0.000 0.434 311 T N -6.262 108.277 114.554 -0.025 0.000 3.086 311 T HA 0.081 4.431 4.350 -0.000 0.000 0.250 311 T C 0.696 175.396 174.700 -0.001 0.000 1.074 311 T CA 0.019 62.112 62.100 -0.012 0.000 0.988 311 T CB -0.334 68.522 68.868 -0.019 0.000 0.988 311 T HN 0.122 nan 8.240 nan 0.000 0.530 312 T N 3.738 118.294 114.554 0.004 0.000 2.963 312 T HA 0.355 4.705 4.350 -0.000 0.000 0.343 312 T C -2.005 172.714 174.700 0.032 0.000 1.146 312 T CA -1.267 60.840 62.100 0.013 0.000 1.016 312 T CB 1.576 70.448 68.868 0.007 0.000 1.046 312 T HN -0.083 nan 8.240 nan 0.000 0.496 313 P HA -0.254 nan 4.420 nan 0.000 0.222 313 P C 1.488 178.816 177.300 0.047 0.000 1.157 313 P CA 1.234 64.357 63.100 0.039 0.000 0.905 313 P CB 0.393 32.108 31.700 0.026 0.000 0.792 314 E N -1.167 119.057 120.200 0.041 0.000 2.031 314 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 314 E C 1.830 178.469 176.600 0.064 0.000 0.994 314 E CA 1.022 57.448 56.400 0.044 0.000 0.800 314 E CB -0.425 29.296 29.700 0.035 0.000 0.752 314 E HN -0.015 nan 8.360 nan 0.000 0.447 315 L N 1.067 122.330 121.223 0.068 0.000 2.017 315 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 315 L C 2.565 179.529 176.870 0.157 0.000 1.073 315 L CA 1.635 56.532 54.840 0.095 0.000 0.745 315 L CB -0.904 41.193 42.059 0.063 0.000 0.894 315 L HN 0.098 nan 8.230 nan 0.000 0.432 316 R N -0.754 119.835 120.500 0.148 0.000 2.103 316 R HA -0.225 4.115 4.340 -0.000 0.000 0.242 316 R C 2.184 178.624 176.300 0.234 0.000 1.142 316 R CA 1.583 57.825 56.100 0.237 0.000 0.960 316 R CB -0.258 30.142 30.300 0.166 0.000 0.858 316 R HN 0.396 nan 8.270 nan 0.000 0.439 317 A N 0.812 123.708 122.820 0.126 0.000 1.883 317 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 317 A C 1.880 179.495 177.584 0.053 0.000 1.186 317 A CA 1.982 54.059 52.037 0.067 0.000 0.624 317 A CB -0.764 18.261 19.000 0.041 0.000 0.822 317 A HN 0.476 nan 8.150 nan 0.000 0.444 318 D N -1.692 118.758 120.400 0.083 0.000 2.117 318 D HA -0.190 4.450 4.640 -0.000 0.000 0.197 318 D C 1.674 178.021 176.300 0.078 0.000 0.987 318 D CA 1.511 55.551 54.000 0.068 0.000 0.829 318 D CB -0.412 40.440 40.800 0.087 0.000 0.961 318 D HN 0.592 nan 8.370 nan 0.000 0.460 319 W N 0.980 122.258 121.300 -0.037 0.000 2.333 319 W HA -0.169 4.491 4.660 -0.000 0.000 0.316 319 W C 2.404 178.840 176.519 -0.138 0.000 1.215 319 W CA 1.841 59.140 57.345 -0.078 0.000 1.278 319 W CB -0.672 28.750 29.460 -0.063 0.000 1.154 319 W HN -0.060 nan 8.180 nan 0.000 0.486 320 M N 0.470 119.858 119.600 -0.354 0.000 2.106 320 M HA -0.247 4.233 4.480 -0.000 0.000 0.259 320 M C 2.347 178.377 176.300 -0.450 0.000 1.068 320 M CA 2.389 57.332 55.300 -0.595 0.000 1.100 320 M CB -0.934 31.508 32.600 -0.263 0.000 1.351 320 M HN 0.191 nan 8.290 nan 0.000 0.404 321 A N -0.295 122.373 122.820 -0.253 0.000 1.877 321 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 321 A C 1.973 179.424 177.584 -0.221 0.000 1.186 321 A CA 2.042 53.964 52.037 -0.192 0.000 0.620 321 A CB -0.801 18.139 19.000 -0.101 0.000 0.822 321 A HN 0.577 nan 8.150 nan 0.000 0.443 322 E N -0.790 119.278 120.200 -0.220 0.000 2.072 322 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 322 E C 1.901 178.301 176.600 -0.334 0.000 0.985 322 E CA 1.157 57.437 56.400 -0.201 0.000 0.801 322 E CB -0.161 29.479 29.700 -0.101 0.000 0.750 322 E HN 0.422 nan 8.360 nan 0.000 0.452 323 L N 1.547 122.446 121.223 -0.539 0.000 2.046 323 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 323 L C 2.180 178.712 176.870 -0.564 0.000 1.077 323 L CA 2.023 56.451 54.840 -0.688 0.000 0.747 323 L CB -0.586 40.835 42.059 -1.063 0.000 0.896 323 L HN 0.105 nan 8.230 nan 0.000 0.432 324 E N -0.028 119.897 120.200 -0.458 0.000 2.051 324 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 324 E C 2.136 178.582 176.600 -0.256 0.000 0.991 324 E CA 1.632 57.835 56.400 -0.330 0.000 0.799 324 E CB -0.455 29.089 29.700 -0.260 0.000 0.748 324 E HN 0.524 nan 8.360 nan 0.000 0.449 325 A N 0.079 122.761 122.820 -0.229 0.000 1.908 325 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 325 A C 2.542 180.017 177.584 -0.182 0.000 1.181 325 A CA 1.854 53.793 52.037 -0.164 0.000 0.627 325 A CB -0.885 18.039 19.000 -0.126 0.000 0.818 325 A HN 0.206 nan 8.150 nan 0.000 0.445 326 V N 0.769 120.508 119.914 -0.290 0.000 2.295 326 V HA -0.278 3.841 4.120 -0.000 0.000 0.246 326 V C 2.738 178.683 176.094 -0.249 0.000 1.049 326 V CA 2.328 64.394 62.300 -0.389 0.000 1.024 326 V CB -0.876 30.544 31.823 -0.672 0.000 0.648 326 V HN 0.798 nan 8.190 nan 0.000 0.447 327 R N 0.259 120.586 120.500 -0.288 0.000 2.120 327 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 327 R C 2.161 178.400 176.300 -0.101 0.000 1.123 327 R CA 2.014 58.004 56.100 -0.183 0.000 0.975 327 R CB -0.388 29.748 30.300 -0.273 0.000 0.866 327 R HN 0.510 nan 8.270 nan 0.000 0.446 328 S N 0.396 116.028 115.700 -0.114 0.000 2.357 328 S HA -0.004 4.466 4.470 -0.000 0.000 0.221 328 S C 1.993 176.570 174.600 -0.038 0.000 1.031 328 S CA 0.974 59.130 58.200 -0.072 0.000 0.982 328 S CB -0.427 62.725 63.200 -0.080 0.000 0.853 328 S HN 0.657 nan 8.310 nan 0.000 0.458 329 G N 2.128 110.910 108.800 -0.031 0.000 2.446 329 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 329 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 329 G C 1.405 176.325 174.900 0.032 0.000 1.168 329 G CA 1.032 46.139 45.100 0.012 0.000 0.771 329 G HN 0.395 nan 8.290 nan 0.000 0.551 330 M N -0.521 119.107 119.600 0.047 0.000 2.159 330 M HA 0.014 4.494 4.480 -0.000 0.000 0.263 330 M C 2.518 178.833 176.300 0.025 0.000 1.063 330 M CA 0.816 56.150 55.300 0.056 0.000 1.110 330 M CB -0.362 32.285 32.600 0.079 0.000 1.374 330 M HN 0.190 nan 8.290 nan 0.000 0.411 331 L N 0.300 121.529 121.223 0.010 0.000 2.046 331 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 331 L C 2.653 179.522 176.870 -0.002 0.000 1.077 331 L CA 1.808 56.650 54.840 0.003 0.000 0.747 331 L CB -0.633 41.422 42.059 -0.007 0.000 0.896 331 L HN 0.220 nan 8.230 nan 0.000 0.432 332 R N -0.744 119.754 120.500 -0.003 0.000 2.081 332 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 332 R C 2.295 178.591 176.300 -0.007 0.000 1.131 332 R CA 1.523 57.619 56.100 -0.007 0.000 0.960 332 R CB -0.309 29.988 30.300 -0.005 0.000 0.856 332 R HN 0.353 nan 8.270 nan 0.000 0.436 333 L N 0.332 121.555 121.223 0.001 0.000 2.017 333 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 333 L C 2.700 179.561 176.870 -0.016 0.000 1.073 333 L CA 1.588 56.425 54.840 -0.004 0.000 0.745 333 L CB -0.404 41.661 42.059 0.009 0.000 0.894 333 L HN 0.221 nan 8.230 nan 0.000 0.432 334 R N -0.008 120.485 120.500 -0.012 0.000 2.105 334 R HA -0.194 4.146 4.340 -0.000 0.000 0.239 334 R C 2.097 178.372 176.300 -0.041 0.000 1.135 334 R CA 1.538 57.623 56.100 -0.024 0.000 0.967 334 R CB -0.439 29.856 30.300 -0.007 0.000 0.861 334 R HN 0.503 nan 8.270 nan 0.000 0.442 335 E N 0.851 121.033 120.200 -0.030 0.000 2.072 335 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 335 E C 2.205 178.782 176.600 -0.038 0.000 0.985 335 E CA 0.972 57.352 56.400 -0.034 0.000 0.801 335 E CB 0.009 29.695 29.700 -0.023 0.000 0.750 335 E HN 0.398 nan 8.360 nan 0.000 0.452 336 Q N 0.504 120.283 119.800 -0.034 0.000 2.020 336 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 336 Q C 2.396 178.364 176.000 -0.052 0.000 0.982 336 Q CA 0.967 56.748 55.803 -0.037 0.000 0.838 336 Q CB -0.204 28.516 28.738 -0.030 0.000 0.899 336 Q HN 0.285 nan 8.270 nan 0.000 0.423 337 L N 0.607 121.794 121.223 -0.060 0.000 2.012 337 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 337 L C 2.210 179.016 176.870 -0.107 0.000 1.073 337 L CA 2.096 56.884 54.840 -0.086 0.000 0.748 337 L CB -1.012 40.997 42.059 -0.084 0.000 0.891 337 L HN 0.207 nan 8.230 nan 0.000 0.431 338 A N -0.129 122.631 122.820 -0.100 0.000 1.883 338 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 338 A C 2.361 179.903 177.584 -0.070 0.000 1.186 338 A CA 1.732 53.707 52.037 -0.102 0.000 0.624 338 A CB -1.332 17.608 19.000 -0.101 0.000 0.822 338 A HN 0.537 nan 8.150 nan 0.000 0.444 339 G N -0.575 108.191 108.800 -0.057 0.000 2.421 339 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 339 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 339 G C 1.437 176.308 174.900 -0.047 0.000 1.171 339 G CA 1.336 46.411 45.100 -0.042 0.000 0.775 339 G HN 0.556 nan 8.290 nan 0.000 0.543 340 E N 0.431 120.594 120.200 -0.062 0.000 2.070 340 E HA -0.110 4.240 4.350 -0.000 0.000 0.197 340 E C 2.510 179.058 176.600 -0.087 0.000 1.004 340 E CA 0.975 57.332 56.400 -0.071 0.000 0.805 340 E CB -0.457 29.193 29.700 -0.083 0.000 0.744 340 E HN 0.453 nan 8.360 nan 0.000 0.451 341 L N -0.048 121.102 121.223 -0.121 0.000 2.027 341 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 341 L C 2.850 179.690 176.870 -0.050 0.000 1.074 341 L CA 1.231 55.977 54.840 -0.156 0.000 0.745 341 L CB -0.511 41.371 42.059 -0.294 0.000 0.898 341 L HN 0.147 nan 8.230 nan 0.000 0.433 342 R N 0.657 121.151 120.500 -0.011 0.000 2.080 342 R HA -0.198 4.142 4.340 -0.000 0.000 0.236 342 R C 1.654 177.959 176.300 0.009 0.000 1.137 342 R CA 2.093 58.208 56.100 0.024 0.000 0.943 342 R CB -0.665 29.643 30.300 0.013 0.000 0.846 342 R HN 0.379 nan 8.270 nan 0.000 0.431 343 D N 0.448 120.842 120.400 -0.010 0.000 2.310 343 D HA -0.124 4.516 4.640 -0.000 0.000 0.212 343 D C 1.633 177.926 176.300 -0.011 0.000 0.965 343 D CA 0.505 54.499 54.000 -0.010 0.000 0.879 343 D CB 0.008 40.798 40.800 -0.016 0.000 0.921 343 D HN 0.250 nan 8.370 nan 0.000 0.510 344 L N 0.142 121.353 121.223 -0.021 0.000 2.592 344 L HA 0.007 4.347 4.340 -0.000 0.000 0.227 344 L C 0.995 177.862 176.870 -0.004 0.000 1.127 344 L CA 0.369 55.194 54.840 -0.025 0.000 0.884 344 L CB 0.208 42.231 42.059 -0.061 0.000 1.065 344 L HN -0.018 nan 8.230 nan 0.000 0.457 345 S N -4.256 111.456 115.700 0.019 0.000 2.760 345 S HA 0.242 4.712 4.470 -0.000 0.000 0.263 345 S C 1.219 175.848 174.600 0.048 0.000 1.007 345 S CA 0.255 58.483 58.200 0.046 0.000 1.358 345 S CB 0.779 64.034 63.200 0.092 0.000 1.228 345 S HN 0.350 nan 8.310 nan 0.000 0.684 346 G N 2.504 111.325 108.800 0.035 0.000 2.674 346 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.236 346 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.236 346 G C 0.432 175.353 174.900 0.036 0.000 1.178 346 G CA 0.611 45.729 45.100 0.029 0.000 0.721 346 G HN 1.783 nan 8.290 nan 0.000 0.515 347 S N 0.888 116.621 115.700 0.054 0.000 2.564 347 S HA 0.508 4.978 4.470 -0.000 0.000 0.278 347 S C -0.206 174.434 174.600 0.068 0.000 1.333 347 S CA 0.403 58.635 58.200 0.053 0.000 1.048 347 S CB 1.590 64.826 63.200 0.059 0.000 0.900 347 S HN 0.239 nan 8.310 nan 0.000 0.505 348 D N 1.295 121.719 120.400 0.040 0.000 2.889 348 D HA 0.238 4.878 4.640 -0.000 0.000 0.243 348 D C 1.197 177.510 176.300 0.023 0.000 1.270 348 D CA -0.226 53.796 54.000 0.036 0.000 0.838 348 D CB 0.161 40.970 40.800 0.015 0.000 1.040 348 D HN 0.513 nan 8.370 nan 0.000 0.480 349 R N -0.233 120.278 120.500 0.017 0.000 2.090 349 R HA 0.030 4.370 4.340 -0.000 0.000 0.228 349 R C 0.636 176.853 176.300 -0.138 0.000 1.110 349 R CA 0.738 56.780 56.100 -0.098 0.000 0.973 349 R CB -0.057 30.108 30.300 -0.226 0.000 0.869 349 R HN 0.216 nan 8.270 nan 0.000 0.440 350 F N 0.391 120.340 119.950 -0.002 0.000 2.697 350 F HA 0.171 4.698 4.527 -0.000 0.000 0.297 350 F C 1.883 177.391 175.800 -0.486 0.000 1.203 350 F CA -0.126 57.712 58.000 -0.270 0.000 1.421 350 F CB 0.034 38.882 39.000 -0.253 0.000 1.033 350 F HN 0.097 nan 8.300 nan 0.000 0.512 351 G N 0.613 109.337 108.800 -0.126 0.000 2.422 351 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 351 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 351 G C 1.602 176.383 174.900 -0.198 0.000 1.140 351 G CA 0.708 45.735 45.100 -0.121 0.000 0.775 351 G HN 0.523 nan 8.290 nan 0.000 0.545 352 F N 1.266 121.156 119.950 -0.101 0.000 2.225 352 F HA -0.114 4.413 4.527 -0.000 0.000 0.302 352 F C 2.142 177.726 175.800 -0.360 0.000 1.068 352 F CA 0.828 58.689 58.000 -0.231 0.000 1.327 352 F CB -0.950 37.885 39.000 -0.274 0.000 1.043 352 F HN 0.011 nan 8.300 nan 0.000 0.506 353 V N 1.259 120.657 119.914 -0.859 0.000 2.343 353 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 353 V C 2.929 178.927 176.094 -0.160 0.000 1.051 353 V CA 1.916 63.937 62.300 -0.465 0.000 1.036 353 V CB -1.476 30.081 31.823 -0.442 0.000 0.654 353 V HN 0.585 nan 8.190 nan 0.000 0.451 354 A N -0.681 122.051 122.820 -0.147 0.000 2.014 354 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 354 A C 2.111 179.698 177.584 0.005 0.000 1.163 354 A CA 1.564 53.571 52.037 -0.051 0.000 0.652 354 A CB -0.353 18.616 19.000 -0.053 0.000 0.808 354 A HN 0.522 nan 8.150 nan 0.000 0.449 355 E N -0.324 119.882 120.200 0.009 0.000 2.158 355 E HA 0.018 4.368 4.350 -0.000 0.000 0.191 355 E C 0.491 177.215 176.600 0.206 0.000 0.982 355 E CA 0.300 56.752 56.400 0.086 0.000 0.823 355 E CB -0.229 29.525 29.700 0.090 0.000 0.766 355 E HN 0.798 nan 8.360 nan 0.000 0.468 356 H N -0.456 118.696 119.070 0.135 0.000 2.836 356 H HA 0.237 4.793 4.556 -0.000 0.000 0.368 356 H C -0.032 175.355 175.328 0.100 0.000 1.164 356 H CA -0.183 55.958 56.048 0.154 0.000 1.425 356 H CB 0.667 30.556 29.762 0.211 0.000 1.414 356 H HN -0.199 nan 8.280 nan 0.000 0.614 357 R N 0.436 121.058 120.500 0.203 0.000 2.533 357 R HA 0.421 4.761 4.340 -0.000 0.000 0.288 357 R C -0.684 175.646 176.300 0.050 0.000 1.039 357 R CA 0.417 56.586 56.100 0.114 0.000 0.909 357 R CB 1.626 31.995 30.300 0.114 0.000 1.195 357 R HN 0.965 nan 8.270 nan 0.000 0.438 358 G N 1.922 110.715 108.800 -0.012 0.000 2.250 358 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.252 358 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.252 358 G C -0.077 174.636 174.900 -0.311 0.000 1.325 358 G CA -0.127 44.871 45.100 -0.169 0.000 1.091 358 G HN 0.488 nan 8.290 nan 0.000 0.476 359 M N -0.388 118.773 119.600 -0.732 0.000 2.516 359 M HA 0.388 4.868 4.480 -0.000 0.000 0.259 359 M C 0.005 175.839 176.300 -0.777 0.000 1.146 359 M CA 0.716 55.502 55.300 -0.856 0.000 1.122 359 M CB 0.196 32.017 32.600 -1.298 0.000 1.341 359 M HN 0.273 nan 8.290 nan 0.000 0.478 360 F N -1.153 118.719 119.950 -0.130 0.000 2.509 360 F HA 0.591 5.118 4.527 -0.000 0.000 0.334 360 F C 0.183 176.011 175.800 0.047 0.000 1.060 360 F CA -1.437 56.540 58.000 -0.038 0.000 0.997 360 F CB 1.461 40.425 39.000 -0.059 0.000 1.271 360 F HN -0.342 nan 8.300 nan 0.000 0.488 361 S N 0.419 116.314 115.700 0.324 0.000 2.590 361 S HA 0.397 4.867 4.470 -0.000 0.000 0.286 361 S C -1.222 173.578 174.600 0.334 0.000 1.147 361 S CA -0.794 57.651 58.200 0.407 0.000 0.963 361 S CB 0.671 64.160 63.200 0.482 0.000 1.124 361 S HN 0.633 nan 8.310 nan 0.000 0.458 362 R N 4.241 124.897 120.500 0.260 0.000 2.242 362 R HA 0.335 4.675 4.340 -0.000 0.000 0.334 362 R C 1.231 177.699 176.300 0.280 0.000 1.071 362 R CA -0.277 55.905 56.100 0.136 0.000 0.922 362 R CB 0.354 30.563 30.300 -0.153 0.000 1.023 362 R HN 0.635 nan 8.270 nan 0.000 0.458 363 L N 1.931 123.332 121.223 0.296 0.000 2.353 363 L HA -0.087 4.253 4.340 -0.000 0.000 0.220 363 L C 1.546 178.590 176.870 0.290 0.000 1.133 363 L CA 1.276 56.364 54.840 0.413 0.000 0.798 363 L CB -0.342 41.910 42.059 0.321 0.000 0.922 363 L HN 1.094 nan 8.230 nan 0.000 0.445 364 G N -0.415 108.483 108.800 0.163 0.000 2.205 364 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.261 364 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.261 364 G C 0.531 175.497 174.900 0.110 0.000 0.980 364 G CA 0.104 45.270 45.100 0.110 0.000 0.632 364 G HN 0.575 nan 8.290 nan 0.000 0.533 365 A N 0.911 123.812 122.820 0.135 0.000 2.561 365 A HA 0.530 4.850 4.320 -0.000 0.000 0.234 365 A C 1.234 178.866 177.584 0.081 0.000 1.055 365 A CA 1.487 53.592 52.037 0.113 0.000 0.756 365 A CB -0.043 19.022 19.000 0.109 0.000 0.986 365 A HN 1.968 nan 8.150 nan 0.000 0.505 366 T N 0.798 115.394 114.554 0.070 0.000 2.860 366 T HA 0.344 4.694 4.350 -0.000 0.000 0.299 366 T C -1.769 172.962 174.700 0.051 0.000 1.045 366 T CA -0.979 61.154 62.100 0.055 0.000 1.071 366 T CB 0.535 69.433 68.868 0.049 0.000 0.985 366 T HN 0.369 nan 8.240 nan 0.000 0.537 367 P HA -0.156 nan 4.420 nan 0.000 0.216 367 P C 1.411 178.736 177.300 0.042 0.000 1.150 367 P CA 1.535 64.659 63.100 0.039 0.000 0.843 367 P CB -0.028 31.691 31.700 0.032 0.000 0.787 368 E N -0.249 119.975 120.200 0.041 0.000 2.204 368 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 368 E C 1.881 178.510 176.600 0.049 0.000 0.989 368 E CA 1.230 57.655 56.400 0.041 0.000 0.824 368 E CB -1.089 28.633 29.700 0.036 0.000 0.756 368 E HN 0.302 nan 8.360 nan 0.000 0.477 369 Q N 0.353 120.186 119.800 0.055 0.000 2.096 369 Q HA -0.001 4.339 4.340 -0.000 0.000 0.197 369 Q C 2.433 178.473 176.000 0.068 0.000 0.964 369 Q CA 1.125 56.968 55.803 0.066 0.000 0.838 369 Q CB -0.125 28.656 28.738 0.071 0.000 0.906 369 Q HN 0.288 nan 8.270 nan 0.000 0.444 370 V N 1.458 121.409 119.914 0.061 0.000 2.380 370 V HA -0.318 3.802 4.120 -0.000 0.000 0.251 370 V C 2.242 178.370 176.094 0.057 0.000 1.063 370 V CA 2.171 64.505 62.300 0.057 0.000 1.055 370 V CB -0.234 31.621 31.823 0.054 0.000 0.657 370 V HN 0.217 nan 8.190 nan 0.000 0.455 371 K N 0.466 120.900 120.400 0.056 0.000 2.097 371 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 371 K C 2.184 178.815 176.600 0.052 0.000 1.049 371 K CA 1.732 58.051 56.287 0.054 0.000 0.933 371 K CB -0.438 32.091 32.500 0.049 0.000 0.717 371 K HN 0.557 nan 8.250 nan 0.000 0.442 372 R N 0.149 120.688 120.500 0.065 0.000 2.080 372 R HA -0.112 4.228 4.340 -0.000 0.000 0.236 372 R C 2.403 178.778 176.300 0.125 0.000 1.137 372 R CA 1.972 58.119 56.100 0.078 0.000 0.943 372 R CB -0.763 29.600 30.300 0.105 0.000 0.846 372 R HN 0.226 nan 8.270 nan 0.000 0.431 373 I N 1.920 122.595 120.570 0.175 0.000 2.113 373 I HA -0.394 3.776 4.170 -0.000 0.000 0.242 373 I C 2.621 178.798 176.117 0.099 0.000 1.064 373 I CA 1.974 63.419 61.300 0.241 0.000 1.320 373 I CB -0.562 37.481 38.000 0.071 0.000 1.028 373 I HN 0.299 nan 8.210 nan 0.000 0.406 374 K N 1.138 121.511 120.400 -0.045 0.000 2.057 374 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 374 K C 1.766 178.235 176.600 -0.218 0.000 1.050 374 K CA 1.548 57.666 56.287 -0.281 0.000 0.935 374 K CB -0.414 31.951 32.500 -0.224 0.000 0.715 374 K HN 0.386 nan 8.250 nan 0.000 0.439 375 E N 1.067 121.234 120.200 -0.055 0.000 2.072 375 E HA -0.178 4.172 4.350 -0.000 0.000 0.190 375 E C 2.154 178.719 176.600 -0.057 0.000 0.982 375 E CA 1.631 58.019 56.400 -0.021 0.000 0.803 375 E CB 0.108 29.812 29.700 0.006 0.000 0.755 375 E HN 0.677 nan 8.360 nan 0.000 0.453 376 E N -0.098 120.047 120.200 -0.093 0.000 2.110 376 E HA -0.041 4.309 4.350 -0.000 0.000 0.193 376 E C 1.599 178.048 176.600 -0.252 0.000 0.950 376 E CA 0.280 56.554 56.400 -0.210 0.000 0.840 376 E CB -0.393 29.102 29.700 -0.342 0.000 0.809 376 E HN 0.115 nan 8.360 nan 0.000 0.465 377 F N 1.312 121.217 119.950 -0.076 0.000 2.661 377 F HA 0.293 4.819 4.527 -0.000 0.000 0.298 377 F C 1.730 177.470 175.800 -0.101 0.000 1.137 377 F CA 1.006 58.961 58.000 -0.075 0.000 1.454 377 F CB 0.361 39.319 39.000 -0.070 0.000 1.103 377 F HN 0.340 nan 8.300 nan 0.000 0.577 378 G N 1.373 110.158 108.800 -0.025 0.000 2.166 378 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 378 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 378 G C 0.413 175.184 174.900 -0.217 0.000 0.986 378 G CA 0.354 45.377 45.100 -0.128 0.000 0.683 378 G HN 0.480 nan 8.290 nan 0.000 0.527 379 I N 0.260 120.713 120.570 -0.196 0.000 2.304 379 I HA 0.625 4.795 4.170 -0.000 0.000 0.291 379 I C -0.420 175.549 176.117 -0.246 0.000 1.018 379 I CA -1.432 59.795 61.300 -0.123 0.000 1.260 379 I CB 0.295 38.273 38.000 -0.037 0.000 1.390 379 I HN 0.045 nan 8.210 nan 0.000 0.475 380 Y N 8.366 128.737 120.300 0.119 0.000 2.425 380 Y HA 0.427 4.977 4.550 -0.000 0.000 0.347 380 Y C 0.401 176.318 175.900 0.028 0.000 0.976 380 Y CA -0.583 57.571 58.100 0.089 0.000 1.190 380 Y CB 0.923 39.468 38.460 0.142 0.000 1.136 380 Y HN 0.566 nan 8.280 nan 0.000 0.517 381 M N 0.639 120.322 119.600 0.137 0.000 2.572 381 M HA 0.741 5.221 4.480 -0.000 0.000 0.299 381 M C -1.314 175.037 176.300 0.084 0.000 1.205 381 M CA -1.294 54.060 55.300 0.089 0.000 0.876 381 M CB 1.550 34.187 32.600 0.061 0.000 1.728 381 M HN 0.096 nan 8.290 nan 0.000 0.458 382 V N 2.589 122.533 119.914 0.050 0.000 2.694 382 V HA 0.064 4.184 4.120 -0.000 0.000 0.306 382 V C 1.694 177.805 176.094 0.029 0.000 1.054 382 V CA 1.136 63.451 62.300 0.026 0.000 1.161 382 V CB 0.677 32.486 31.823 -0.023 0.000 0.916 382 V HN 1.156 nan 8.190 nan 0.000 0.490 383 G N 3.306 112.124 108.800 0.030 0.000 2.605 383 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.222 383 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.222 383 G C 0.872 175.786 174.900 0.022 0.000 1.092 383 G CA 0.977 46.095 45.100 0.030 0.000 0.730 383 G HN 0.990 nan 8.290 nan 0.000 0.588 384 D N -0.650 119.754 120.400 0.007 0.000 2.358 384 D HA 0.036 4.676 4.640 -0.000 0.000 0.224 384 D C 1.177 177.484 176.300 0.012 0.000 1.123 384 D CA 0.767 54.768 54.000 0.001 0.000 0.833 384 D CB -0.608 40.178 40.800 -0.025 0.000 0.946 384 D HN 0.551 nan 8.370 nan 0.000 0.505 385 S N -0.742 114.978 115.700 0.033 0.000 3.672 385 S HA -0.291 4.179 4.470 -0.000 0.000 0.319 385 S C 0.200 174.840 174.600 0.068 0.000 1.151 385 S CA 0.267 58.503 58.200 0.060 0.000 0.911 385 S CB -2.595 60.656 63.200 0.085 0.000 0.939 385 S HN 0.638 nan 8.310 nan 0.000 0.524 386 R N 1.467 121.989 120.500 0.036 0.000 2.216 386 R HA 0.625 4.965 4.340 -0.000 0.000 0.332 386 R C 0.493 176.853 176.300 0.100 0.000 1.056 386 R CA -0.354 55.773 56.100 0.045 0.000 0.901 386 R CB 0.238 30.498 30.300 -0.067 0.000 1.039 386 R HN 0.729 nan 8.270 nan 0.000 0.456 387 I N 1.627 122.299 120.570 0.170 0.000 2.404 387 I HA 0.378 4.548 4.170 -0.000 0.000 0.293 387 I C -0.604 175.662 176.117 0.248 0.000 0.992 387 I CA -1.048 60.353 61.300 0.168 0.000 1.149 387 I CB 1.791 39.861 38.000 0.117 0.000 1.315 387 I HN 0.403 nan 8.210 nan 0.000 0.446 388 N N 6.559 125.397 118.700 0.230 0.000 2.415 388 N HA 0.197 4.937 4.740 -0.000 0.000 0.250 388 N C 0.933 176.469 175.510 0.043 0.000 1.127 388 N CA -0.551 52.606 53.050 0.178 0.000 0.945 388 N CB 0.604 39.204 38.487 0.187 0.000 1.196 388 N HN 0.855 nan 8.380 nan 0.000 0.499 389 I N 1.171 121.742 120.570 0.001 0.000 2.530 389 I HA -0.153 4.017 4.170 -0.000 0.000 0.257 389 I C 1.589 177.704 176.117 -0.002 0.000 1.179 389 I CA 1.241 62.541 61.300 0.001 0.000 1.440 389 I CB -0.302 37.698 38.000 -0.001 0.000 1.087 389 I HN 0.379 nan 8.210 nan 0.000 0.440 390 A N 1.650 124.463 122.820 -0.012 0.000 2.121 390 A HA 0.086 4.406 4.320 -0.000 0.000 0.218 390 A C 2.281 179.835 177.584 -0.050 0.000 1.154 390 A CA 1.236 53.279 52.037 0.011 0.000 0.679 390 A CB -1.245 17.782 19.000 0.046 0.000 0.795 390 A HN 0.580 nan 8.150 nan 0.000 0.458 391 G N -1.251 107.525 108.800 -0.040 0.000 2.813 391 G HA2 0.321 4.281 3.960 -0.000 0.000 0.209 391 G HA3 0.321 4.281 3.960 -0.000 0.000 0.209 391 G C 0.467 175.344 174.900 -0.039 0.000 1.150 391 G CA 0.055 45.123 45.100 -0.053 0.000 0.785 391 G HN 0.273 nan 8.290 nan 0.000 0.535 392 L N 0.616 121.823 121.223 -0.026 0.000 2.400 392 L HA 0.548 4.888 4.340 -0.000 0.000 0.264 392 L C -0.180 176.676 176.870 -0.023 0.000 1.061 392 L CA -0.615 54.211 54.840 -0.024 0.000 0.799 392 L CB 1.130 43.176 42.059 -0.022 0.000 1.240 392 L HN 0.449 nan 8.230 nan 0.000 0.461 393 N N -2.384 116.303 118.700 -0.023 0.000 3.046 393 N HA 0.171 4.911 4.740 -0.000 0.000 0.243 393 N C -0.265 175.233 175.510 -0.020 0.000 1.452 393 N CA -0.641 52.397 53.050 -0.019 0.000 0.882 393 N CB 0.396 38.868 38.487 -0.025 0.000 1.425 393 N HN 0.296 nan 8.380 nan 0.000 0.517 394 D N -0.388 120.003 120.400 -0.016 0.000 2.203 394 D HA -0.174 4.466 4.640 -0.000 0.000 0.199 394 D C 0.677 176.966 176.300 -0.018 0.000 0.997 394 D CA 1.759 55.749 54.000 -0.017 0.000 0.863 394 D CB -0.172 40.620 40.800 -0.013 0.000 0.928 394 D HN 0.519 nan 8.370 nan 0.000 0.458 395 N N -0.831 117.859 118.700 -0.016 0.000 2.207 395 N HA -0.068 4.672 4.740 -0.000 0.000 0.182 395 N C 1.793 177.294 175.510 -0.014 0.000 1.020 395 N CA 1.697 54.739 53.050 -0.013 0.000 0.858 395 N CB -0.631 37.851 38.487 -0.009 0.000 0.991 395 N HN 0.342 nan 8.380 nan 0.000 0.427 396 T N -1.585 112.959 114.554 -0.017 0.000 3.067 396 T HA 0.224 4.574 4.350 -0.000 0.000 0.257 396 T C 1.931 176.608 174.700 -0.039 0.000 1.105 396 T CA 0.082 62.170 62.100 -0.020 0.000 1.104 396 T CB -0.299 68.562 68.868 -0.012 0.000 0.925 396 T HN 0.049 nan 8.240 nan 0.000 0.498 397 I N 2.642 123.187 120.570 -0.042 0.000 2.099 397 I HA -0.088 4.082 4.170 -0.000 0.000 0.239 397 I C -0.112 175.960 176.117 -0.076 0.000 1.066 397 I CA 1.388 62.653 61.300 -0.059 0.000 1.324 397 I CB -1.147 36.822 38.000 -0.052 0.000 1.037 397 I HN 0.216 nan 8.210 nan 0.000 0.401 398 P HA -0.166 nan 4.420 nan 0.000 0.218 398 P C 1.850 179.103 177.300 -0.078 0.000 1.148 398 P CA 1.754 64.813 63.100 -0.067 0.000 0.822 398 P CB -0.103 31.570 31.700 -0.044 0.000 0.784 399 I N -0.716 119.815 120.570 -0.065 0.000 2.202 399 I HA -0.217 3.952 4.170 -0.000 0.000 0.242 399 I C 2.568 178.594 176.117 -0.151 0.000 1.091 399 I CA 0.955 62.214 61.300 -0.069 0.000 1.368 399 I CB -0.777 37.208 38.000 -0.025 0.000 1.058 399 I HN -0.073 nan 8.210 nan 0.000 0.410 400 L N 1.428 122.563 121.223 -0.147 0.000 2.017 400 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 400 L C 2.563 179.284 176.870 -0.249 0.000 1.073 400 L CA 2.170 56.892 54.840 -0.197 0.000 0.745 400 L CB -0.898 41.081 42.059 -0.134 0.000 0.894 400 L HN 0.164 nan 8.230 nan 0.000 0.432 401 A N 0.018 122.711 122.820 -0.211 0.000 1.865 401 A HA -0.287 4.032 4.320 -0.000 0.000 0.217 401 A C 2.579 180.019 177.584 -0.241 0.000 1.191 401 A CA 2.109 54.001 52.037 -0.242 0.000 0.623 401 A CB -0.786 18.099 19.000 -0.191 0.000 0.826 401 A HN 0.568 nan 8.150 nan 0.000 0.444 402 R N -0.423 119.962 120.500 -0.192 0.000 2.081 402 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 402 R C 2.281 178.426 176.300 -0.257 0.000 1.131 402 R CA 1.580 57.586 56.100 -0.156 0.000 0.960 402 R CB -0.479 29.771 30.300 -0.082 0.000 0.856 402 R HN 0.429 nan 8.270 nan 0.000 0.436 403 A N 1.746 124.276 122.820 -0.484 0.000 1.883 403 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 403 A C 2.198 179.371 177.584 -0.684 0.000 1.186 403 A CA 1.852 53.216 52.037 -1.121 0.000 0.624 403 A CB -0.790 17.398 19.000 -1.353 0.000 0.822 403 A HN 0.624 nan 8.150 nan 0.000 0.444 404 I N -3.451 116.875 120.570 -0.407 0.000 2.617 404 I HA -0.066 4.104 4.170 -0.000 0.000 0.256 404 I C 1.872 177.904 176.117 -0.141 0.000 1.167 404 I CA 0.746 61.906 61.300 -0.235 0.000 1.469 404 I CB -0.352 37.518 38.000 -0.217 0.000 1.098 404 I HN 0.085 nan 8.210 nan 0.000 0.436 405 I N 1.879 122.353 120.570 -0.161 0.000 2.252 405 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 405 I C 2.691 178.805 176.117 -0.005 0.000 1.102 405 I CA 1.393 62.651 61.300 -0.069 0.000 1.385 405 I CB -1.053 36.903 38.000 -0.075 0.000 1.064 405 I HN 0.336 nan 8.210 nan 0.000 0.414 406 E N 0.405 120.603 120.200 -0.003 0.000 2.077 406 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 406 E C 2.273 178.938 176.600 0.108 0.000 0.989 406 E CA 0.844 57.299 56.400 0.093 0.000 0.800 406 E CB -0.556 29.290 29.700 0.243 0.000 0.746 406 E HN 0.261 nan 8.360 nan 0.000 0.452 407 V N 0.480 120.447 119.914 0.088 0.000 3.078 407 V HA -0.115 4.005 4.120 -0.000 0.000 0.265 407 V C 1.534 177.677 176.094 0.082 0.000 1.122 407 V CA 1.382 63.742 62.300 0.101 0.000 1.141 407 V CB -1.011 30.863 31.823 0.085 0.000 0.735 407 V HN 0.432 nan 8.190 nan 0.000 0.498 408 G N -0.038 108.807 108.800 0.076 0.000 2.699 408 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.351 408 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.351 408 G C 0.516 175.472 174.900 0.093 0.000 1.191 408 G CA 0.990 46.140 45.100 0.084 0.000 0.953 408 G HN 1.022 nan 8.290 nan 0.000 0.557 409 V N 0.000 119.959 119.914 0.075 0.000 2.409 409 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 409 V CA 0.000 62.340 62.300 0.067 0.000 1.235 409 V CB 0.000 31.855 31.823 0.054 0.000 1.184 409 V HN 0.000 nan 8.190 nan 0.000 0.556