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 1vyr_1_A DATA FIRST_RESID 2 DATA SEQUENCE AEKLFTPLKV GAVTAPNRVF MAPLTRLRSI EPGDIPTPLM GEYYRQRASA DATA SEQUENCE GLIISEATQI SAQAKGYAGA PGLHSPEQIA AWKKITAGVH AEDGRIAVQL DATA SEQUENCE WHTGRISHSS IQPGGQAPVS ASALNANTRT SLRDENGNAI RVDTTTPRAL DATA SEQUENCE ELDEIPGIVN DFRQAVANAR EAGFDLVELH SAHGYLLHQF LSPSSNQRTD DATA SEQUENCE QYGGSVENRA RLVLEVVDAV CNEWSADRIG IRVSPIGTFQ NVDNGPNEEA DATA SEQUENCE DALYLIEELA KRGIAYLHMS ETDLAGGKPY SEAFRQKVRE RFHGVIIGAG DATA SEQUENCE AYTAEKAEDL IGKGLIDAVA FGRDYIANPD LVARLQKKAE LNPQRPESFY DATA SEQUENCE GGGAEGYTDY PSL 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 2 A HA 0.000 4.406 4.320 0.144 0.000 0.244 2 A C 0.000 177.695 177.584 0.185 0.000 1.274 2 A CA 0.000 52.183 52.037 0.244 0.000 0.836 2 A CB 0.000 19.215 19.000 0.358 0.000 0.831 3 E N -1.385 118.922 120.200 0.177 0.000 3.874 3 E HA 0.127 4.532 4.350 0.091 0.000 0.216 3 E C 0.415 177.036 176.600 0.036 0.000 1.307 3 E CA 0.492 56.942 56.400 0.083 0.000 1.536 3 E CB 1.525 31.250 29.700 0.042 0.000 1.996 3 E HN -0.165 8.460 8.360 0.200 -0.145 0.602 4 K N -0.970 119.404 120.400 -0.044 0.000 2.373 4 K HA 0.249 4.550 4.320 -0.032 0.000 0.200 4 K C 1.878 178.361 176.600 -0.194 0.000 1.054 4 K CA -0.640 55.602 56.287 -0.075 0.000 1.065 4 K CB 1.267 33.729 32.500 -0.063 0.000 0.886 4 K HN -0.083 8.648 8.250 -0.061 -0.518 0.546 5 L N -0.428 120.552 121.223 -0.405 0.000 2.265 5 L HA -0.317 3.754 4.340 -0.448 0.000 0.215 5 L C 0.194 176.595 176.870 -0.782 0.000 1.117 5 L CA 2.826 57.247 54.840 -0.697 0.000 0.782 5 L CB 0.023 41.432 42.059 -1.082 0.000 0.914 5 L HN -0.703 7.667 8.230 -0.364 -0.358 0.441 6 F N -6.371 113.591 119.950 0.021 0.000 2.750 6 F HA 0.236 4.785 4.527 0.036 0.000 0.297 6 F C -0.128 175.686 175.800 0.024 0.000 1.138 6 F CA -1.860 56.156 58.000 0.026 0.000 1.346 6 F CB -0.912 38.100 39.000 0.020 0.000 0.965 6 F HN -0.238 7.794 8.300 -0.364 0.050 0.514 7 T N -1.625 112.965 114.554 0.059 0.000 2.888 7 T HA 0.492 4.890 4.350 0.079 0.000 0.284 7 T C -2.386 172.337 174.700 0.040 0.000 1.017 7 T CA -3.394 58.738 62.100 0.052 0.000 1.022 7 T CB 1.146 70.029 68.868 0.025 0.000 1.013 7 T HN -0.416 7.726 8.240 -0.023 0.083 0.465 8 P HA 0.243 4.766 4.420 0.064 -0.065 0.272 8 P C -1.305 176.017 177.300 0.036 0.000 1.230 8 P CA -0.074 63.055 63.100 0.048 0.000 0.788 8 P CB 0.754 32.480 31.700 0.042 0.000 0.949 9 L N 0.400 121.654 121.223 0.051 0.000 2.505 9 L HA 0.305 4.663 4.340 0.029 0.000 0.266 9 L C -2.235 174.669 176.870 0.057 0.000 0.954 9 L CA -0.369 54.500 54.840 0.048 0.000 0.852 9 L CB 4.166 46.260 42.059 0.058 0.000 1.282 9 L HN 0.183 8.451 8.230 0.064 0.000 0.403 10 K N 6.965 127.388 120.400 0.038 0.000 2.339 10 K HA 0.060 4.504 4.320 0.029 -0.106 0.286 10 K C -0.923 175.708 176.600 0.050 0.000 1.050 10 K CA 0.113 56.419 56.287 0.033 0.000 0.956 10 K CB 0.411 32.920 32.500 0.015 0.000 0.990 10 K HN 0.177 8.444 8.250 0.029 0.000 0.475 11 V N 8.264 128.210 119.914 0.053 0.000 2.340 11 V HA 0.228 4.414 4.120 0.109 0.000 0.277 11 V C -0.299 175.826 176.094 0.052 0.000 1.017 11 V CA -1.952 60.400 62.300 0.086 0.000 0.820 11 V CB -0.375 31.509 31.823 0.100 0.000 1.028 11 V HN 0.390 8.602 8.190 0.036 0.000 0.436 12 G N 9.238 118.060 108.800 0.037 0.000 2.651 12 G HA2 -0.490 3.610 3.960 -0.039 0.000 0.315 12 G HA3 -0.490 3.452 3.960 -0.030 0.000 0.315 12 G C -0.182 174.691 174.900 -0.044 0.000 1.258 12 G CA 1.375 46.462 45.100 -0.022 0.000 1.002 12 G HN 0.287 8.608 8.290 0.053 0.000 0.551 13 A N 3.175 125.945 122.820 -0.083 0.000 2.209 13 A HA -0.148 4.134 4.320 -0.064 0.000 0.212 13 A C 0.351 177.908 177.584 -0.046 0.000 1.158 13 A CA 0.797 52.788 52.037 -0.076 0.000 0.742 13 A CB 0.601 19.525 19.000 -0.126 0.000 0.790 13 A HN -0.145 7.937 8.150 -0.114 0.000 0.472 14 V N -6.668 113.226 119.914 -0.034 0.000 3.113 14 V HA 0.471 4.577 4.120 -0.023 0.000 0.316 14 V C -2.033 174.055 176.094 -0.010 0.000 1.125 14 V CA -2.397 59.889 62.300 -0.024 0.000 1.026 14 V CB 2.703 34.509 31.823 -0.027 0.000 1.080 14 V HN -0.552 7.563 8.190 -0.033 0.055 0.444 15 T N -1.216 113.334 114.554 -0.006 0.000 2.815 15 T HA 0.418 4.914 4.350 0.019 -0.135 0.289 15 T C -0.580 174.128 174.700 0.013 0.000 1.000 15 T CA -2.391 59.715 62.100 0.010 0.000 0.958 15 T CB 1.120 69.995 68.868 0.012 0.000 0.944 15 T HN -0.078 8.156 8.240 -0.010 0.000 0.442 16 A N 6.541 129.381 122.820 0.034 0.000 2.363 16 A HA 0.479 4.806 4.320 0.011 0.000 0.270 16 A C -1.324 176.308 177.584 0.080 0.000 1.121 16 A CA -3.519 48.548 52.037 0.051 0.000 0.800 16 A CB 0.381 19.463 19.000 0.138 0.000 1.052 16 A HN 0.593 8.772 8.150 0.049 0.000 0.493 17 P HA 0.006 4.469 4.420 0.070 0.000 0.240 17 P C -2.013 175.356 177.300 0.115 0.000 1.190 17 P CA 0.865 64.016 63.100 0.085 0.000 0.781 17 P CB 0.415 32.159 31.700 0.074 0.000 0.931 18 N N -6.547 112.241 118.700 0.147 0.000 2.934 18 N HA 0.052 5.011 4.740 0.101 -0.158 0.253 18 N C -0.533 175.069 175.510 0.153 0.000 1.466 18 N CA -1.247 51.888 53.050 0.143 0.000 0.858 18 N CB 2.529 41.144 38.487 0.214 0.000 1.459 18 N HN -0.977 7.447 8.380 0.164 0.054 0.532 19 R N -3.956 116.537 120.500 -0.012 0.000 2.468 19 R HA 0.292 4.479 4.340 -0.254 0.000 0.280 19 R C -0.781 175.358 176.300 -0.268 0.000 0.963 19 R CA -1.342 54.625 56.100 -0.222 0.000 1.083 19 R CB -0.206 29.913 30.300 -0.300 0.000 1.200 19 R HN 0.452 8.677 8.270 -0.075 0.000 0.541 20 V N 3.433 123.400 119.914 0.088 0.000 2.304 20 V HA 0.223 4.476 4.120 0.222 0.000 0.262 20 V C -1.761 174.649 176.094 0.528 0.000 1.061 20 V CA -0.393 62.073 62.300 0.276 0.000 0.872 20 V CB -1.330 30.675 31.823 0.304 0.000 1.077 20 V HN -0.341 8.149 8.190 0.162 -0.203 0.480 21 F N 6.761 126.771 119.950 0.099 0.000 2.432 21 F HA 0.542 5.161 4.527 -0.028 -0.109 0.329 21 F C -0.904 174.935 175.800 0.064 0.000 1.076 21 F CA -3.378 54.613 58.000 -0.015 0.000 1.018 21 F CB 2.940 41.812 39.000 -0.214 0.000 1.201 21 F HN 0.689 9.110 8.300 0.202 0.000 0.489 22 M N 2.428 121.994 119.600 -0.056 0.000 2.084 22 M HA 0.435 5.014 4.480 -0.070 -0.141 0.351 22 M C -1.523 174.753 176.300 -0.040 0.000 1.240 22 M CA -1.108 54.028 55.300 -0.272 0.000 1.083 22 M CB 1.957 34.064 32.600 -0.822 0.000 1.593 22 M HN 0.147 8.352 8.290 -0.142 0.000 0.463 23 A N 8.513 131.385 122.820 0.088 0.000 2.448 23 A HA 0.176 4.589 4.320 0.154 0.000 0.239 23 A C -1.687 175.944 177.584 0.079 0.000 1.080 23 A CA -1.613 50.495 52.037 0.117 0.000 0.779 23 A CB -1.261 17.823 19.000 0.141 0.000 1.026 23 A HN 0.287 8.533 8.150 0.161 0.000 0.499 24 P HA -0.049 4.669 4.420 0.062 -0.262 0.271 24 P C -1.489 175.834 177.300 0.039 0.000 1.220 24 P CA -0.091 63.028 63.100 0.032 0.000 0.768 24 P CB 0.297 31.960 31.700 -0.063 0.000 0.848 25 L N 4.150 125.417 121.223 0.072 0.000 2.457 25 L HA 0.205 4.556 4.340 0.018 0.000 0.266 25 L C -0.738 176.158 176.870 0.043 0.000 0.979 25 L CA -1.006 53.860 54.840 0.044 0.000 0.857 25 L CB 2.263 44.347 42.059 0.043 0.000 1.213 25 L HN 0.098 8.399 8.230 0.118 0.000 0.418 26 T N 4.316 118.866 114.554 -0.007 0.000 2.829 26 T HA -0.101 4.225 4.350 -0.041 0.000 0.293 26 T C -0.171 174.567 174.700 0.063 0.000 0.970 26 T CA 1.693 63.781 62.100 -0.020 0.000 1.168 26 T CB 0.215 68.995 68.868 -0.147 0.000 0.911 26 T HN 0.070 8.299 8.240 -0.018 0.000 0.535 27 R N 4.963 125.478 120.500 0.026 0.000 2.469 27 R HA 0.284 4.755 4.340 -0.033 -0.151 0.250 27 R C -0.499 175.785 176.300 -0.027 0.000 0.909 27 R CA -1.701 54.371 56.100 -0.045 0.000 1.050 27 R CB 1.493 31.681 30.300 -0.187 0.000 1.256 27 R HN 0.525 8.805 8.270 0.017 0.000 0.550 28 L N -5.012 116.221 121.223 0.017 0.000 3.634 28 L HA -0.395 4.041 4.340 0.050 -0.066 0.423 28 L C -0.748 176.094 176.870 -0.046 0.000 1.253 28 L CA 0.925 55.790 54.840 0.041 0.000 0.885 28 L CB -2.786 39.356 42.059 0.138 0.000 1.789 28 L HN 0.334 8.574 8.230 0.017 0.000 0.904 29 R N -3.981 116.436 120.500 -0.139 0.000 2.577 29 R HA 0.180 4.421 4.340 -0.165 0.000 0.344 29 R C -0.541 175.680 176.300 -0.131 0.000 1.037 29 R CA -1.031 54.944 56.100 -0.207 0.000 1.102 29 R CB 0.956 30.972 30.300 -0.473 0.000 1.313 29 R HN 0.054 8.243 8.270 -0.135 0.000 0.561 30 S N -0.486 115.171 115.700 -0.070 0.000 2.600 30 S HA 0.040 4.459 4.470 -0.086 0.000 0.265 30 S C 0.264 174.837 174.600 -0.044 0.000 1.325 30 S CA 0.557 58.721 58.200 -0.059 0.000 1.002 30 S CB 1.005 64.189 63.200 -0.026 0.000 0.921 30 S HN -0.689 7.594 8.310 -0.045 0.000 0.554 31 I N 2.867 123.408 120.570 -0.048 0.000 2.496 31 I HA -0.067 4.086 4.170 -0.028 0.000 0.285 31 I C -0.988 175.122 176.117 -0.012 0.000 1.080 31 I CA 0.941 62.222 61.300 -0.031 0.000 1.404 31 I CB 0.767 38.745 38.000 -0.038 0.000 1.403 31 I HN 0.075 8.245 8.210 -0.065 0.000 0.539 32 E N 7.165 127.364 120.200 -0.002 0.000 2.238 32 E HA 0.312 4.670 4.350 0.015 0.000 0.267 32 E C -1.800 174.804 176.600 0.006 0.000 0.887 32 E CA -2.572 53.834 56.400 0.011 0.000 0.769 32 E CB 1.906 31.619 29.700 0.021 0.000 1.187 32 E HN 0.273 8.630 8.360 -0.005 0.000 0.416 33 P HA 0.099 4.533 4.420 0.023 0.000 0.274 33 P C -0.639 176.669 177.300 0.013 0.000 1.237 33 P CA -0.054 63.056 63.100 0.017 0.000 0.793 33 P CB 0.903 32.613 31.700 0.016 0.000 0.977 34 G N 0.493 109.308 108.800 0.025 0.000 2.231 34 G HA2 -0.272 3.690 3.960 0.003 0.000 0.206 34 G HA3 -0.272 3.706 3.960 0.029 0.000 0.206 34 G C -1.251 173.655 174.900 0.011 0.000 0.996 34 G CA -0.320 44.790 45.100 0.018 0.000 0.645 34 G HN 0.115 8.426 8.290 0.036 0.000 0.498 35 D N -0.969 119.446 120.400 0.024 0.000 2.689 35 D HA -0.478 4.241 4.640 0.042 -0.054 0.237 35 D C -1.569 174.722 176.300 -0.014 0.000 1.148 35 D CA 1.188 55.211 54.000 0.037 0.000 0.656 35 D CB -2.807 38.053 40.800 0.099 0.000 1.050 35 D HN -0.275 8.111 8.370 0.026 0.000 0.426 36 I N -2.190 118.348 120.570 -0.053 0.000 2.336 36 I HA 0.335 4.425 4.170 -0.134 0.000 0.292 36 I C -2.425 173.580 176.117 -0.187 0.000 0.991 36 I CA -2.367 58.863 61.300 -0.116 0.000 1.227 36 I CB 0.940 38.888 38.000 -0.087 0.000 1.366 36 I HN -0.398 7.789 8.210 -0.039 0.000 0.466 37 P HA 0.044 4.241 4.420 -0.371 0.000 0.269 37 P C -0.977 176.173 177.300 -0.250 0.000 1.217 37 P CA -0.259 62.573 63.100 -0.447 0.000 0.783 37 P CB 0.416 31.524 31.700 -0.986 0.000 0.898 38 T N -2.309 112.148 114.554 -0.162 0.000 2.930 38 T HA 0.458 4.759 4.350 -0.081 0.000 0.290 38 T C -0.940 173.744 174.700 -0.027 0.000 1.052 38 T CA -3.555 58.499 62.100 -0.077 0.000 1.017 38 T CB 1.138 69.978 68.868 -0.047 0.000 1.137 38 T HN -0.427 7.717 8.240 -0.160 0.000 0.511 39 P HA -0.173 4.260 4.420 0.022 0.000 0.216 39 P C 1.487 178.823 177.300 0.060 0.000 1.150 39 P CA 2.890 66.004 63.100 0.023 0.000 0.837 39 P CB -0.065 31.643 31.700 0.014 0.000 0.786 40 L N -2.378 118.889 121.223 0.073 0.000 2.046 40 L HA -0.182 4.230 4.340 0.120 0.000 0.208 40 L C 1.765 178.771 176.870 0.226 0.000 1.077 40 L CA 2.912 57.835 54.840 0.138 0.000 0.747 40 L CB -0.209 41.932 42.059 0.137 0.000 0.896 40 L HN -0.235 8.010 8.230 0.048 0.015 0.432 41 M N -1.730 118.001 119.600 0.219 0.000 2.108 41 M HA -0.366 4.326 4.480 0.352 0.000 0.261 41 M C 2.416 178.891 176.300 0.291 0.000 1.066 41 M CA 4.077 59.540 55.300 0.271 0.000 1.107 41 M CB -0.134 32.574 32.600 0.181 0.000 1.356 41 M HN -0.316 8.058 8.290 0.141 0.000 0.406 42 G N -2.060 106.862 108.800 0.204 0.000 2.440 42 G HA2 -0.413 3.622 3.960 0.124 0.000 0.218 42 G HA3 -0.413 3.708 3.960 0.268 0.000 0.218 42 G C 0.669 175.662 174.900 0.155 0.000 1.154 42 G CA 2.008 47.224 45.100 0.194 0.000 0.767 42 G HN -0.135 8.164 8.290 0.139 0.074 0.552 43 E N 2.807 123.071 120.200 0.107 0.000 2.051 43 E HA -0.362 4.018 4.350 0.051 0.000 0.192 43 E C 1.461 178.079 176.600 0.029 0.000 0.991 43 E CA 2.688 59.125 56.400 0.062 0.000 0.799 43 E CB -0.094 29.638 29.700 0.054 0.000 0.748 43 E HN -0.473 7.952 8.360 0.109 0.000 0.449 44 Y N 0.938 121.117 120.300 -0.201 0.000 2.114 44 Y HA -0.408 3.895 4.550 -0.411 0.000 0.282 44 Y C 1.982 177.704 175.900 -0.297 0.000 1.165 44 Y CA 3.280 61.117 58.100 -0.437 0.000 1.148 44 Y CB -0.043 37.843 38.460 -0.958 0.000 0.972 44 Y HN -0.451 7.878 8.280 0.081 0.000 0.504 45 Y N -3.538 116.711 120.300 -0.085 0.000 2.200 45 Y HA -0.311 4.005 4.550 -0.390 0.000 0.290 45 Y C 2.784 178.589 175.900 -0.158 0.000 1.137 45 Y CA 3.469 61.459 58.100 -0.183 0.000 1.163 45 Y CB -0.299 38.171 38.460 0.017 0.000 0.988 45 Y HN -0.428 7.913 8.280 0.101 0.000 0.518 46 R N -0.294 120.244 120.500 0.063 0.000 2.096 46 R HA -0.472 3.875 4.340 0.013 0.000 0.235 46 R C 2.383 178.670 176.300 -0.022 0.000 1.127 46 R CA 3.524 59.633 56.100 0.015 0.000 0.968 46 R CB -0.319 29.995 30.300 0.024 0.000 0.861 46 R HN -0.136 8.194 8.270 0.100 0.000 0.440 47 Q N -2.743 117.024 119.800 -0.056 0.000 2.234 47 Q HA -0.232 4.091 4.340 -0.028 0.000 0.206 47 Q C 1.528 177.494 176.000 -0.057 0.000 0.980 47 Q CA 2.589 58.357 55.803 -0.058 0.000 0.869 47 Q CB -0.037 28.655 28.738 -0.078 0.000 0.912 47 Q HN -0.348 7.882 8.270 -0.066 0.000 0.436 48 R N -3.645 116.791 120.500 -0.107 0.000 2.427 48 R HA 0.293 4.853 4.340 0.026 -0.204 0.262 48 R C 0.194 176.463 176.300 -0.052 0.000 0.943 48 R CA -0.505 55.548 56.100 -0.078 0.000 1.081 48 R CB 0.297 30.437 30.300 -0.266 0.000 1.166 48 R HN -0.634 7.386 8.270 -0.144 0.163 0.534 49 A N -0.417 122.386 122.820 -0.028 0.000 2.209 49 A HA -0.178 4.115 4.320 -0.045 0.000 0.212 49 A C 0.083 177.672 177.584 0.009 0.000 1.158 49 A CA 2.192 54.217 52.037 -0.021 0.000 0.742 49 A CB -0.174 18.818 19.000 -0.013 0.000 0.790 49 A HN -0.626 7.436 8.150 -0.025 0.073 0.472 50 S N -4.335 111.390 115.700 0.042 0.000 2.515 50 S HA -0.234 4.270 4.470 0.056 0.000 0.231 50 S C 0.728 175.396 174.600 0.113 0.000 0.987 50 S CA 0.427 58.670 58.200 0.072 0.000 0.936 50 S CB -0.853 62.392 63.200 0.076 0.000 0.766 50 S HN -0.077 8.212 8.310 0.046 0.048 0.528 51 A N 2.646 125.532 122.820 0.111 0.000 2.555 51 A HA -0.168 4.330 4.320 0.295 0.000 0.233 51 A C 1.301 178.926 177.584 0.069 0.000 1.060 51 A CA 0.550 52.669 52.037 0.137 0.000 0.759 51 A CB 0.491 19.432 19.000 -0.099 0.000 0.995 51 A HN -0.620 7.527 8.150 0.072 0.047 0.506 52 G N -0.059 108.841 108.800 0.167 0.000 2.469 52 G HA2 -0.250 4.108 3.960 0.326 0.000 0.220 52 G HA3 -0.250 3.773 3.960 0.105 0.000 0.220 52 G C -1.454 173.279 174.900 -0.278 0.000 1.136 52 G CA 1.692 46.858 45.100 0.111 0.000 0.759 52 G HN 0.215 8.777 8.290 0.286 -0.101 0.562 53 L N -2.410 118.462 121.223 -0.585 0.000 2.526 53 L HA 0.436 4.495 4.340 -0.467 0.000 0.263 53 L C -2.452 174.131 176.870 -0.478 0.000 0.943 53 L CA -0.362 54.043 54.840 -0.726 0.000 0.859 53 L CB 3.196 44.413 42.059 -1.402 0.000 1.313 53 L HN -0.909 7.071 8.230 -0.403 0.009 0.406 54 I N 5.269 125.655 120.570 -0.307 0.000 2.365 54 I HA 0.054 4.065 4.170 -0.264 0.000 0.291 54 I C -1.422 174.584 176.117 -0.184 0.000 1.004 54 I CA 0.195 61.357 61.300 -0.231 0.000 1.311 54 I CB 1.165 39.073 38.000 -0.153 0.000 1.401 54 I HN 0.282 8.335 8.210 -0.261 0.000 0.491 55 I N 7.551 128.044 120.570 -0.129 0.000 2.339 55 I HA 0.352 4.606 4.170 -0.096 -0.142 0.290 55 I C -0.014 176.097 176.117 -0.010 0.000 0.994 55 I CA -1.262 59.993 61.300 -0.075 0.000 1.191 55 I CB 1.137 39.119 38.000 -0.029 0.000 1.343 55 I HN 0.062 8.196 8.210 -0.126 0.000 0.458 56 S N 7.802 123.465 115.700 -0.060 0.000 2.589 56 S HA -0.025 4.554 4.470 0.182 0.000 0.265 56 S C 0.481 175.151 174.600 0.115 0.000 1.342 56 S CA -0.343 57.882 58.200 0.041 0.000 1.005 56 S CB 0.541 63.652 63.200 -0.148 0.000 0.909 56 S HN 0.280 8.511 8.310 -0.133 0.000 0.555 57 E N 1.229 121.607 120.200 0.298 0.000 2.492 57 E HA -0.324 4.145 4.350 0.078 -0.072 0.266 57 E C 0.097 176.706 176.600 0.015 0.000 1.047 57 E CA 0.335 56.827 56.400 0.154 0.000 0.968 57 E CB 0.341 30.186 29.700 0.241 0.000 0.960 57 E HN -0.336 8.347 8.360 0.537 0.000 0.452 58 A N 3.614 126.326 122.820 -0.180 0.000 2.546 58 A HA -0.206 4.207 4.320 -0.155 -0.186 0.243 58 A C -0.472 177.060 177.584 -0.087 0.000 1.063 58 A CA 0.914 52.771 52.037 -0.300 0.000 0.757 58 A CB 0.320 18.741 19.000 -0.966 0.000 0.991 58 A HN 0.293 8.305 8.150 -0.231 0.000 0.503 59 T N 4.898 119.555 114.554 0.172 0.000 2.879 59 T HA 0.245 4.987 4.350 0.374 -0.167 0.290 59 T C -0.865 174.081 174.700 0.409 0.000 0.993 59 T CA -0.804 61.482 62.100 0.310 0.000 0.975 59 T CB 2.775 71.728 68.868 0.142 0.000 0.981 59 T HN -0.085 8.256 8.240 0.168 0.000 0.439 60 Q N 5.852 125.912 119.800 0.434 0.000 2.337 60 Q HA -0.005 4.567 4.340 0.124 -0.157 0.270 60 Q C 1.647 177.733 176.000 0.143 0.000 1.002 60 Q CA 1.017 56.954 55.803 0.222 0.000 0.888 60 Q CB 0.224 29.073 28.738 0.184 0.000 1.222 60 Q HN 0.304 8.847 8.270 0.456 0.000 0.400 61 I N -1.923 118.604 120.570 -0.071 0.000 3.059 61 I HA -0.142 4.010 4.170 -0.030 0.000 0.270 61 I C -1.337 174.714 176.117 -0.109 0.000 1.238 61 I CA 0.895 62.118 61.300 -0.129 0.000 1.478 61 I CB 0.231 37.969 38.000 -0.437 0.000 1.097 61 I HN -0.449 7.655 8.210 -0.178 0.000 0.455 62 S N -5.167 110.384 115.700 -0.248 0.000 2.611 62 S HA 0.166 4.167 4.470 -0.781 0.000 0.268 62 S C -0.938 173.231 174.600 -0.719 0.000 1.156 62 S CA -0.885 56.972 58.200 -0.572 0.000 0.817 62 S CB 2.299 65.282 63.200 -0.361 0.000 1.122 62 S HN -0.901 7.216 8.310 -0.225 0.058 0.466 63 A N -0.695 121.647 122.820 -0.797 0.000 1.933 63 A HA -0.151 3.992 4.320 -0.296 0.000 0.218 63 A C 2.174 179.586 177.584 -0.287 0.000 1.175 63 A CA 2.504 54.301 52.037 -0.399 0.000 0.628 63 A CB -0.193 18.661 19.000 -0.243 0.000 0.814 63 A HN 0.458 8.104 8.150 -0.839 0.000 0.444 64 Q N -1.202 118.420 119.800 -0.296 0.000 2.181 64 Q HA -0.255 3.974 4.340 -0.185 0.000 0.205 64 Q C 1.129 176.814 176.000 -0.526 0.000 0.980 64 Q CA 2.679 58.324 55.803 -0.263 0.000 0.862 64 Q CB -0.399 28.262 28.738 -0.129 0.000 0.905 64 Q HN 0.211 8.303 8.270 -0.297 0.000 0.429 65 A N -3.463 118.870 122.820 -0.812 0.000 2.172 65 A HA -0.131 2.888 4.320 -2.168 0.000 0.216 65 A C -0.320 176.770 177.584 -0.825 0.000 1.154 65 A CA 0.912 52.206 52.037 -1.239 0.000 0.701 65 A CB 0.030 18.490 19.000 -0.900 0.000 0.789 65 A HN -0.659 6.976 8.150 -0.646 0.128 0.465 66 K N -0.904 119.229 120.400 -0.445 0.000 2.412 66 K HA -0.198 3.978 4.320 -0.240 0.000 0.281 66 K C -0.160 176.345 176.600 -0.158 0.000 1.027 66 K CA 0.865 57.016 56.287 -0.228 0.000 0.989 66 K CB 0.315 32.792 32.500 -0.039 0.000 0.935 66 K HN -0.784 7.176 8.250 -0.376 0.065 0.475 67 G N 2.702 111.509 108.800 0.011 0.000 4.008 67 G HA2 0.243 4.449 3.960 0.099 0.000 0.278 67 G HA3 0.243 4.211 3.960 0.013 0.000 0.278 67 G C -2.198 172.740 174.900 0.064 0.000 1.021 67 G CA -0.028 45.127 45.100 0.091 0.000 0.833 67 G HN 0.259 8.607 8.290 0.096 0.000 0.454 68 Y N -1.248 119.201 120.300 0.247 0.000 2.396 68 Y HA 0.470 5.257 4.550 0.152 -0.145 0.332 68 Y C -1.353 174.635 175.900 0.146 0.000 1.034 68 Y CA -2.359 55.864 58.100 0.206 0.000 1.057 68 Y CB 2.531 41.135 38.460 0.241 0.000 1.220 68 Y HN -0.888 7.679 8.280 0.479 0.000 0.440 69 A N 3.372 126.311 122.820 0.199 0.000 2.454 69 A HA 0.092 4.607 4.320 0.134 -0.115 0.260 69 A C -0.078 177.595 177.584 0.147 0.000 1.106 69 A CA 0.298 52.417 52.037 0.138 0.000 0.780 69 A CB 0.128 19.171 19.000 0.071 0.000 1.044 69 A HN 0.053 8.285 8.150 0.137 0.000 0.498 70 G N 1.729 110.602 108.800 0.122 0.000 2.194 70 G HA2 -0.353 3.652 3.960 0.075 0.000 0.236 70 G HA3 -0.353 3.641 3.960 0.056 0.000 0.236 70 G C -0.922 174.040 174.900 0.103 0.000 0.987 70 G CA 0.080 45.232 45.100 0.087 0.000 0.635 70 G HN -0.169 8.329 8.290 0.117 -0.138 0.520 71 A N 1.558 124.484 122.820 0.177 0.000 2.363 71 A HA 0.434 4.830 4.320 0.127 0.000 0.270 71 A C -2.397 175.317 177.584 0.217 0.000 1.121 71 A CA -2.243 49.909 52.037 0.192 0.000 0.800 71 A CB 0.213 19.389 19.000 0.293 0.000 1.052 71 A HN -0.786 7.435 8.150 0.224 0.064 0.493 72 P HA 0.007 4.662 4.420 0.140 -0.152 0.276 72 P C -1.352 176.146 177.300 0.329 0.000 1.252 72 P CA -0.555 62.684 63.100 0.231 0.000 0.802 72 P CB 1.653 33.502 31.700 0.248 0.000 1.035 73 G N -1.040 107.917 108.800 0.260 0.000 2.644 73 G HA2 0.607 4.610 3.960 0.071 0.000 0.307 73 G HA3 0.607 4.942 3.960 0.313 -0.187 0.307 73 G C -1.735 173.332 174.900 0.279 0.000 1.250 73 G CA -1.548 43.688 45.100 0.227 0.000 0.996 73 G HN -0.288 8.104 8.290 0.170 0.000 0.489 74 L N -1.656 119.667 121.223 0.167 0.000 3.186 74 L HA 0.525 4.998 4.340 0.222 0.000 0.317 74 L C -0.411 176.515 176.870 0.093 0.000 1.296 74 L CA -0.659 54.267 54.840 0.145 0.000 0.870 74 L CB -0.344 41.742 42.059 0.044 0.000 1.302 74 L HN -0.066 8.285 8.230 0.203 0.000 0.590 75 H N -3.901 115.226 119.070 0.095 0.000 3.205 75 H HA 0.264 4.840 4.556 0.034 0.000 0.252 75 H C -0.301 175.057 175.328 0.049 0.000 1.015 75 H CA -0.955 55.120 56.048 0.045 0.000 1.192 75 H CB 0.403 30.170 29.762 0.008 0.000 1.474 75 H HN -0.136 nan 8.280 nan 0.000 0.484 76 S N 1.105 116.714 115.700 -0.152 0.000 2.690 76 S HA 0.441 4.943 4.470 0.054 0.000 0.291 76 S C -1.206 173.394 174.600 -0.001 0.000 1.138 76 S CA -2.340 55.845 58.200 -0.025 0.000 1.013 76 S CB 1.167 64.329 63.200 -0.062 0.000 1.053 76 S HN -0.355 8.030 8.310 -0.368 -0.295 0.539 77 P HA -0.135 4.302 4.420 0.027 0.000 0.215 77 P C 1.587 178.896 177.300 0.016 0.000 1.153 77 P CA 2.768 65.880 63.100 0.020 0.000 0.853 77 P CB -0.022 31.689 31.700 0.018 0.000 0.788 78 E N -2.766 117.435 120.200 0.001 0.000 2.106 78 E HA -0.243 4.104 4.350 -0.004 0.000 0.192 78 E C 2.667 179.259 176.600 -0.014 0.000 0.984 78 E CA 3.485 59.880 56.400 -0.009 0.000 0.806 78 E CB -0.831 28.858 29.700 -0.018 0.000 0.750 78 E HN 0.454 8.813 8.360 -0.002 0.000 0.458 79 Q N -0.664 119.126 119.800 -0.016 0.000 2.079 79 Q HA -0.286 4.025 4.340 -0.048 0.000 0.200 79 Q C 2.268 178.367 176.000 0.166 0.000 0.974 79 Q CA 3.059 58.874 55.803 0.021 0.000 0.840 79 Q CB 0.053 28.796 28.738 0.009 0.000 0.898 79 Q HN -0.599 7.651 8.270 -0.033 0.000 0.430 80 I N -1.343 119.320 120.570 0.155 0.000 2.163 80 I HA -0.553 3.792 4.170 0.291 0.000 0.243 80 I C 1.624 177.829 176.117 0.146 0.000 1.085 80 I CA 3.579 64.992 61.300 0.188 0.000 1.347 80 I CB 0.056 38.119 38.000 0.105 0.000 1.044 80 I HN -0.473 7.795 8.210 0.096 0.000 0.408 81 A N -1.638 121.226 122.820 0.073 0.000 1.902 81 A HA -0.354 3.991 4.320 0.041 0.000 0.217 81 A C 1.791 179.395 177.584 0.032 0.000 1.181 81 A CA 3.146 55.207 52.037 0.041 0.000 0.623 81 A CB -1.002 18.008 19.000 0.016 0.000 0.818 81 A HN -0.224 7.961 8.150 0.058 0.000 0.443 82 A N -1.273 121.549 122.820 0.002 0.000 1.898 82 A HA -0.172 4.117 4.320 -0.052 0.000 0.216 82 A C 2.122 179.684 177.584 -0.037 0.000 1.181 82 A CA 2.115 54.112 52.037 -0.067 0.000 0.620 82 A CB -1.013 17.888 19.000 -0.165 0.000 0.819 82 A HN -0.326 7.825 8.150 0.002 0.000 0.442 83 W N 0.321 121.627 121.300 0.011 0.000 2.374 83 W HA -0.250 4.409 4.660 -0.000 0.000 0.288 83 W C 2.340 178.771 176.519 -0.148 0.000 1.218 83 W CA 0.565 57.899 57.345 -0.019 0.000 1.245 83 W CB 0.211 29.730 29.460 0.098 0.000 1.126 83 W HN -0.099 nan 8.180 nan 0.000 0.545 84 K N -0.171 120.301 120.400 0.120 0.000 2.103 84 K HA -0.380 4.126 4.320 -0.051 -0.217 0.207 84 K C 1.964 178.555 176.600 -0.015 0.000 1.048 84 K CA 2.857 59.147 56.287 0.006 0.000 0.930 84 K CB 0.056 32.568 32.500 0.020 0.000 0.716 84 K HN -0.180 8.161 8.250 0.152 0.000 0.444 85 K N -1.447 118.956 120.400 0.006 0.000 2.057 85 K HA -0.269 4.048 4.320 -0.005 0.000 0.206 85 K C 2.535 179.130 176.600 -0.008 0.000 1.050 85 K CA 2.954 59.239 56.287 -0.003 0.000 0.935 85 K CB -0.195 32.304 32.500 -0.002 0.000 0.715 85 K HN -0.732 7.517 8.250 0.019 0.013 0.439 86 I N -0.623 119.956 120.570 0.016 0.000 2.179 86 I HA -0.508 3.695 4.170 0.056 0.000 0.242 86 I C 1.581 177.645 176.117 -0.088 0.000 1.088 86 I CA 4.229 65.554 61.300 0.042 0.000 1.357 86 I CB -0.293 37.816 38.000 0.181 0.000 1.051 86 I HN -0.620 7.531 8.210 0.034 0.079 0.409 87 T N -0.446 113.973 114.554 -0.224 0.000 2.821 87 T HA -0.340 3.691 4.350 -0.532 0.000 0.267 87 T C 1.435 175.884 174.700 -0.419 0.000 1.046 87 T CA 3.285 65.103 62.100 -0.469 0.000 1.139 87 T CB -0.243 68.253 68.868 -0.620 0.000 0.871 87 T HN -0.149 7.980 8.240 -0.184 0.000 0.454 88 A N 0.406 123.135 122.820 -0.152 0.000 1.933 88 A HA -0.209 4.140 4.320 0.047 0.000 0.218 88 A C 1.903 179.462 177.584 -0.042 0.000 1.175 88 A CA 2.649 54.666 52.037 -0.033 0.000 0.628 88 A CB -0.126 18.876 19.000 0.003 0.000 0.814 88 A HN -0.539 7.538 8.150 -0.121 0.000 0.444 89 G N -1.618 107.149 108.800 -0.056 0.000 2.418 89 G HA2 -0.278 3.676 3.960 -0.010 0.000 0.217 89 G HA3 -0.278 3.679 3.960 -0.006 0.000 0.217 89 G C 1.487 176.360 174.900 -0.045 0.000 1.158 89 G CA 1.917 47.002 45.100 -0.026 0.000 0.771 89 G HN -0.465 7.789 8.290 -0.060 0.000 0.545 90 V N 1.751 121.588 119.914 -0.128 0.000 2.295 90 V HA -0.511 3.567 4.120 -0.070 0.000 0.246 90 V C 2.522 178.567 176.094 -0.080 0.000 1.049 90 V CA 2.652 64.866 62.300 -0.144 0.000 1.024 90 V CB -0.970 30.704 31.823 -0.250 0.000 0.648 90 V HN -0.409 7.679 8.190 -0.169 0.000 0.447 91 H N 1.701 120.754 119.070 -0.029 0.000 2.423 91 H HA -0.029 4.512 4.556 -0.025 0.000 0.297 91 H C 2.597 177.916 175.328 -0.014 0.000 1.075 91 H CA 1.154 57.188 56.048 -0.025 0.000 1.342 91 H CB -0.211 29.533 29.762 -0.031 0.000 1.395 91 H HN 0.237 nan 8.280 nan 0.000 0.530 92 A N -0.196 122.680 122.820 0.094 0.000 2.070 92 A HA -0.200 4.154 4.320 0.057 0.000 0.220 92 A C 0.529 178.137 177.584 0.040 0.000 1.159 92 A CA 2.233 54.302 52.037 0.054 0.000 0.656 92 A CB -0.368 18.652 19.000 0.033 0.000 0.800 92 A HN 0.024 8.199 8.150 0.070 0.016 0.453 93 E N -3.495 116.726 120.200 0.036 0.000 2.444 93 E HA 0.110 4.475 4.350 0.024 0.000 0.191 93 E C -0.825 175.797 176.600 0.035 0.000 1.041 93 E CA -1.230 55.186 56.400 0.028 0.000 0.883 93 E CB -0.129 29.580 29.700 0.016 0.000 1.024 93 E HN -0.711 7.533 8.360 0.035 0.137 0.470 94 D N -2.812 117.620 120.400 0.054 0.000 2.981 94 D HA -0.281 4.396 4.640 0.062 0.000 0.223 94 D C -0.452 175.883 176.300 0.057 0.000 1.151 94 D CA 1.189 55.221 54.000 0.054 0.000 0.827 94 D CB -0.778 40.042 40.800 0.033 0.000 1.101 94 D HN -0.174 8.044 8.370 0.066 0.192 0.426 95 G N -3.234 105.608 108.800 0.070 0.000 2.557 95 G HA2 0.365 4.390 3.960 0.011 0.000 0.302 95 G HA3 0.365 4.341 3.960 0.026 0.000 0.302 95 G C -1.934 173.025 174.900 0.099 0.000 1.311 95 G CA -0.677 44.449 45.100 0.043 0.000 1.030 95 G HN -0.339 7.961 8.290 0.076 0.035 0.509 96 R N -2.988 117.522 120.500 0.017 0.000 2.686 96 R HA 0.626 5.214 4.340 0.162 -0.151 0.283 96 R C -2.035 174.235 176.300 -0.051 0.000 0.978 96 R CA -0.699 55.422 56.100 0.035 0.000 0.897 96 R CB 4.033 34.315 30.300 -0.031 0.000 1.192 96 R HN 0.272 8.522 8.270 -0.033 0.000 0.457 97 I N 1.555 122.126 120.570 0.002 0.000 2.569 97 I HA 0.819 5.142 4.170 -0.080 -0.201 0.290 97 I C -2.992 173.203 176.117 0.130 0.000 1.088 97 I CA -2.206 59.084 61.300 -0.016 0.000 1.047 97 I CB 4.664 42.608 38.000 -0.093 0.000 1.237 97 I HN 0.556 9.146 8.210 0.096 -0.323 0.421 98 A N 7.831 130.670 122.820 0.031 0.000 2.325 98 A HA 0.861 5.415 4.320 0.063 -0.197 0.333 98 A C -2.296 175.147 177.584 -0.235 0.000 1.155 98 A CA -2.578 49.454 52.037 -0.008 0.000 0.814 98 A CB 3.256 22.251 19.000 -0.008 0.000 1.206 98 A HN 0.887 9.008 8.150 -0.048 0.000 0.482 99 V N 1.837 121.373 119.914 -0.631 0.000 2.407 99 V HA 0.309 3.916 4.120 -0.853 0.000 0.278 99 V C -1.609 174.225 176.094 -0.434 0.000 1.037 99 V CA -2.447 59.282 62.300 -0.951 0.000 0.900 99 V CB 2.766 33.448 31.823 -1.901 0.000 0.983 99 V HN -0.214 7.646 8.190 -0.549 0.000 0.459 100 Q N 9.618 129.248 119.800 -0.284 0.000 2.294 100 Q HA 0.381 4.874 4.340 -0.086 -0.204 0.257 100 Q C -1.435 174.545 176.000 -0.035 0.000 0.955 100 Q CA -1.056 54.675 55.803 -0.120 0.000 0.936 100 Q CB 1.181 29.849 28.738 -0.117 0.000 1.188 100 Q HN 0.020 8.110 8.270 -0.300 0.000 0.420 101 L N 7.612 128.885 121.223 0.083 0.000 2.282 101 L HA 0.305 4.914 4.340 0.155 -0.176 0.288 101 L C 0.166 177.310 176.870 0.456 0.000 1.033 101 L CA -0.941 54.023 54.840 0.206 0.000 0.807 101 L CB 0.565 42.739 42.059 0.193 0.000 1.209 101 L HN 0.213 8.493 8.230 0.082 0.000 0.423 102 W N 6.537 127.909 121.300 0.119 0.000 2.962 102 W HA 0.387 5.238 4.660 0.319 0.000 0.341 102 W C -1.806 174.730 176.519 0.030 0.000 1.155 102 W CA -0.626 56.812 57.345 0.154 0.000 1.165 102 W CB 1.535 31.031 29.460 0.061 0.000 1.435 102 W HN 0.076 nan 8.180 nan 0.000 0.546 103 H N 6.963 125.880 119.070 -0.254 0.000 2.658 103 H HA 0.338 4.482 4.556 -0.687 0.000 0.337 103 H C -0.651 174.313 175.328 -0.607 0.000 1.009 103 H CA -0.032 55.711 56.048 -0.508 0.000 1.231 103 H CB 2.770 32.387 29.762 -0.241 0.000 1.508 103 H HN 0.145 nan 8.280 nan 0.000 0.517 104 T N 8.112 122.230 114.554 -0.727 0.000 3.035 104 T HA -0.204 4.145 4.350 -0.002 0.000 0.268 104 T C 0.333 175.195 174.700 0.271 0.000 1.109 104 T CA 1.714 63.699 62.100 -0.193 0.000 1.119 104 T CB 0.739 69.430 68.868 -0.295 0.000 0.900 104 T HN 0.126 7.746 8.240 -1.033 0.000 0.503 105 G N 0.621 109.646 108.800 0.374 0.000 2.622 105 G HA2 -0.470 3.760 3.960 0.184 0.000 0.307 105 G HA3 -0.470 3.718 3.960 0.207 -0.103 0.307 105 G C -0.341 174.651 174.900 0.154 0.000 1.226 105 G CA 0.921 46.159 45.100 0.229 0.000 0.997 105 G HN -0.363 8.333 8.290 0.753 0.046 0.551 106 R N 2.211 122.777 120.500 0.111 0.000 2.316 106 R HA -0.159 4.211 4.340 0.050 0.000 0.202 106 R C 1.035 177.385 176.300 0.084 0.000 1.029 106 R CA 1.447 57.587 56.100 0.066 0.000 1.018 106 R CB 0.351 30.666 30.300 0.025 0.000 0.888 106 R HN -0.265 8.351 8.270 0.106 -0.283 0.471 107 I N 2.499 123.165 120.570 0.161 0.000 2.227 107 I HA -0.037 4.197 4.170 0.108 0.000 0.297 107 I C -2.109 174.084 176.117 0.126 0.000 1.173 107 I CA 0.265 61.674 61.300 0.182 0.000 1.356 107 I CB -2.142 36.066 38.000 0.346 0.000 1.485 107 I HN -0.627 7.660 8.210 0.213 0.051 0.604 108 S N 6.156 121.881 115.700 0.041 0.000 2.655 108 S HA 0.302 5.094 4.470 -0.028 -0.339 0.266 108 S C -1.866 172.766 174.600 0.055 0.000 1.149 108 S CA -0.118 58.090 58.200 0.014 0.000 0.818 108 S CB 1.696 64.904 63.200 0.012 0.000 1.130 108 S HN -0.257 8.077 8.310 0.041 0.000 0.476 109 H N 1.448 120.487 119.070 -0.052 0.000 2.894 109 H HA 0.565 5.100 4.556 -0.034 0.000 0.367 109 H C 1.252 176.562 175.328 -0.029 0.000 1.144 109 H CA -0.360 55.664 56.048 -0.039 0.000 1.180 109 H CB 2.012 31.747 29.762 -0.046 0.000 1.758 109 H HN 0.176 nan 8.280 nan 0.000 0.541 110 S N 5.621 121.071 115.700 -0.416 0.000 2.400 110 S HA -0.212 4.334 4.470 -0.128 -0.153 0.232 110 S C 1.447 176.023 174.600 -0.040 0.000 1.025 110 S CA 2.380 60.456 58.200 -0.207 0.000 0.993 110 S CB 0.078 63.131 63.200 -0.246 0.000 0.808 110 S HN 0.243 8.094 8.310 -0.765 0.000 0.478 111 S N 1.065 116.848 115.700 0.138 0.000 2.474 111 S HA -0.157 4.373 4.470 0.100 0.000 0.235 111 S C 1.300 175.968 174.600 0.114 0.000 0.997 111 S CA 2.443 60.753 58.200 0.183 0.000 0.949 111 S CB -0.784 62.589 63.200 0.289 0.000 0.766 111 S HN -0.338 8.096 8.310 0.253 0.029 0.517 112 I N -5.793 114.841 120.570 0.107 0.000 4.025 112 I HA 0.417 4.618 4.170 0.053 0.000 0.336 112 I C -0.746 175.384 176.117 0.022 0.000 1.390 112 I CA -0.718 60.617 61.300 0.060 0.000 1.099 112 I CB 0.530 38.570 38.000 0.067 0.000 1.049 112 I HN -0.730 7.514 8.210 0.137 0.048 0.394 113 Q N 1.378 121.181 119.800 0.005 0.000 2.221 113 Q HA 0.396 4.712 4.340 -0.040 0.000 0.242 113 Q C -1.843 174.143 176.000 -0.023 0.000 0.940 113 Q CA -3.066 52.722 55.803 -0.025 0.000 0.896 113 Q CB 0.111 28.828 28.738 -0.035 0.000 1.226 113 Q HN -0.733 7.432 8.270 0.013 0.112 0.463 114 P HA -0.193 4.215 4.420 -0.021 0.000 0.262 114 P C 0.226 177.513 177.300 -0.021 0.000 1.182 114 P CA 1.100 64.183 63.100 -0.029 0.000 0.761 114 P CB 0.091 31.765 31.700 -0.043 0.000 0.795 115 G N 2.765 111.558 108.800 -0.013 0.000 2.196 115 G HA2 -0.348 3.604 3.960 -0.013 0.000 0.268 115 G HA3 -0.348 3.607 3.960 -0.007 0.000 0.268 115 G C -0.034 174.859 174.900 -0.012 0.000 0.975 115 G CA 0.102 45.195 45.100 -0.011 0.000 0.648 115 G HN 0.363 8.647 8.290 -0.009 0.000 0.538 116 G N -0.052 108.742 108.800 -0.011 0.000 2.153 116 G HA2 -0.415 3.539 3.960 -0.009 0.000 0.252 116 G HA3 -0.415 3.747 3.960 -0.008 -0.207 0.252 116 G C -0.020 174.860 174.900 -0.033 0.000 0.994 116 G CA 0.278 45.369 45.100 -0.014 0.000 0.698 116 G HN -0.162 8.053 8.290 -0.010 0.069 0.521 117 Q N -0.452 119.327 119.800 -0.035 0.000 2.185 117 Q HA 0.199 4.514 4.340 -0.043 0.000 0.225 117 Q C -0.733 175.234 176.000 -0.054 0.000 0.983 117 Q CA -1.441 54.338 55.803 -0.041 0.000 0.950 117 Q CB 1.134 29.854 28.738 -0.030 0.000 1.176 117 Q HN -0.747 7.475 8.270 -0.030 0.031 0.510 118 A N 0.560 123.347 122.820 -0.053 0.000 2.483 118 A HA 0.021 4.292 4.320 -0.082 0.000 0.238 118 A C -1.367 176.193 177.584 -0.039 0.000 1.070 118 A CA -0.923 51.078 52.037 -0.059 0.000 0.770 118 A CB -1.282 17.689 19.000 -0.048 0.000 1.008 118 A HN 0.324 8.446 8.150 -0.046 0.000 0.497 119 P HA -0.014 4.566 4.420 0.002 -0.160 0.275 119 P C -1.286 176.022 177.300 0.012 0.000 1.266 119 P CA -0.793 62.306 63.100 -0.002 0.000 0.793 119 P CB 0.964 32.666 31.700 0.003 0.000 1.074 120 V N -8.569 111.374 119.914 0.048 0.000 2.881 120 V HA 0.964 5.277 4.120 0.010 -0.187 0.316 120 V C -1.383 174.727 176.094 0.028 0.000 1.070 120 V CA -3.446 58.873 62.300 0.032 0.000 0.976 120 V CB 3.362 35.206 31.823 0.034 0.000 1.038 120 V HN -0.021 8.220 8.190 0.085 0.000 0.446 121 S N 0.929 116.627 115.700 -0.003 0.000 2.757 121 S HA 0.427 4.907 4.470 0.016 0.000 0.285 121 S C -0.794 173.725 174.600 -0.135 0.000 1.196 121 S CA -0.847 57.333 58.200 -0.034 0.000 0.856 121 S CB 2.800 65.965 63.200 -0.057 0.000 1.212 121 S HN -0.240 8.063 8.310 -0.011 0.000 0.516 122 A N 1.328 123.882 122.820 -0.442 0.000 1.902 122 A HA 0.049 3.715 4.320 -1.090 0.000 0.217 122 A C -0.599 176.755 177.584 -0.384 0.000 1.181 122 A CA 2.843 54.352 52.037 -0.880 0.000 0.623 122 A CB 0.362 18.575 19.000 -1.312 0.000 0.818 122 A HN 0.617 8.530 8.150 -0.395 0.000 0.443 123 S N -4.113 111.437 115.700 -0.251 0.000 2.661 123 S HA 0.102 4.496 4.470 -0.128 0.000 0.285 123 S C -0.946 173.594 174.600 -0.099 0.000 1.138 123 S CA -0.763 57.348 58.200 -0.148 0.000 0.855 123 S CB 3.301 66.419 63.200 -0.136 0.000 1.136 123 S HN -0.632 7.528 8.310 -0.251 0.000 0.484 124 A N 2.690 125.468 122.820 -0.070 0.000 3.105 124 A HA 0.181 4.608 4.320 -0.049 -0.137 0.272 124 A C -0.968 176.589 177.584 -0.045 0.000 1.466 124 A CA -0.559 51.447 52.037 -0.051 0.000 1.101 124 A CB -0.996 17.980 19.000 -0.040 0.000 1.065 124 A HN 0.348 8.458 8.150 -0.067 0.000 0.643 125 L N -1.056 120.137 121.223 -0.050 0.000 2.296 125 L HA 0.047 4.364 4.340 -0.037 0.000 0.286 125 L C -0.914 175.935 176.870 -0.035 0.000 1.023 125 L CA -1.192 53.622 54.840 -0.043 0.000 0.812 125 L CB 1.088 43.115 42.059 -0.053 0.000 1.223 125 L HN -0.864 7.249 8.230 -0.060 0.080 0.421 126 N N 3.181 121.866 118.700 -0.026 0.000 2.454 126 N HA -0.227 4.503 4.740 -0.017 0.000 0.254 126 N C 0.879 176.380 175.510 -0.014 0.000 1.228 126 N CA 0.748 53.788 53.050 -0.017 0.000 0.900 126 N CB 1.027 39.506 38.487 -0.013 0.000 1.089 126 N HN 0.065 8.430 8.380 -0.025 0.000 0.449 127 A N 4.453 127.269 122.820 -0.005 0.000 2.070 127 A HA -0.179 4.136 4.320 -0.009 0.000 0.220 127 A C -0.116 177.470 177.584 0.002 0.000 1.159 127 A CA 1.027 53.064 52.037 -0.001 0.000 0.656 127 A CB 0.154 19.163 19.000 0.015 0.000 0.800 127 A HN 0.704 8.853 8.150 -0.001 0.000 0.453 128 N N -4.427 114.275 118.700 0.004 0.000 2.727 128 N HA -0.204 4.540 4.740 0.007 0.000 0.249 128 N C -1.132 174.385 175.510 0.012 0.000 1.048 128 N CA 1.490 54.543 53.050 0.006 0.000 0.714 128 N CB -1.781 36.706 38.487 0.001 0.000 0.959 128 N HN 0.157 8.481 8.380 0.003 0.058 0.544 129 T N -1.149 113.416 114.554 0.018 0.000 2.591 129 T HA 0.241 4.605 4.350 0.023 0.000 0.274 129 T C -1.949 172.764 174.700 0.022 0.000 0.945 129 T CA -1.689 60.426 62.100 0.025 0.000 1.087 129 T CB 2.342 71.231 68.868 0.036 0.000 1.416 129 T HN -0.778 7.455 8.240 0.019 0.018 0.514 130 R N -0.038 120.474 120.500 0.021 0.000 2.803 130 R HA 0.728 5.204 4.340 -0.003 -0.138 0.276 130 R C -1.229 175.053 176.300 -0.031 0.000 0.978 130 R CA -0.930 55.169 56.100 -0.001 0.000 0.939 130 R CB 3.300 33.598 30.300 -0.004 0.000 1.179 130 R HN 0.052 8.341 8.270 0.032 0.000 0.472 131 T N -0.487 114.007 114.554 -0.101 0.000 2.905 131 T HA 0.348 4.527 4.350 -0.286 0.000 0.283 131 T C -0.539 174.047 174.700 -0.190 0.000 1.031 131 T CA -0.794 61.142 62.100 -0.274 0.000 1.002 131 T CB 1.468 70.071 68.868 -0.442 0.000 1.200 131 T HN 0.353 8.545 8.240 -0.080 0.000 0.560 132 S N 3.540 119.113 115.700 -0.212 0.000 2.456 132 S HA 0.752 5.183 4.470 -0.065 0.000 0.316 132 S C -1.066 173.510 174.600 -0.039 0.000 1.089 132 S CA -0.722 57.447 58.200 -0.052 0.000 1.101 132 S CB 0.670 63.901 63.200 0.051 0.000 0.995 132 S HN 0.040 nan 8.310 nan 0.000 0.468 133 L N 4.445 125.632 121.223 -0.059 0.000 2.421 133 L HA 0.393 4.719 4.340 -0.024 0.000 0.267 133 L C -1.057 175.803 176.870 -0.017 0.000 1.036 133 L CA -0.834 53.975 54.840 -0.051 0.000 0.829 133 L CB 2.850 44.833 42.059 -0.128 0.000 1.437 133 L HN 0.236 8.422 8.230 -0.073 0.000 0.488 134 R N -1.939 118.554 120.500 -0.013 0.000 2.599 134 R HA 0.657 5.200 4.340 -0.000 -0.202 0.295 134 R C -0.831 175.460 176.300 -0.014 0.000 0.963 134 R CA -1.147 54.951 56.100 -0.004 0.000 0.883 134 R CB 2.992 33.296 30.300 0.008 0.000 1.171 134 R HN 0.162 8.422 8.270 -0.017 0.000 0.450 135 D N 4.056 124.448 120.400 -0.012 0.000 2.440 135 D HA 0.042 4.671 4.640 -0.018 0.000 0.269 135 D C 1.565 177.860 176.300 -0.007 0.000 1.249 135 D CA -1.177 52.815 54.000 -0.013 0.000 1.055 135 D CB 0.741 41.534 40.800 -0.012 0.000 1.104 135 D HN 0.291 8.656 8.370 -0.008 0.000 0.561 136 E N -1.976 118.221 120.200 -0.006 0.000 2.338 136 E HA -0.267 4.081 4.350 -0.002 0.000 0.197 136 E C -0.231 176.367 176.600 -0.003 0.000 1.007 136 E CA 2.395 58.793 56.400 -0.003 0.000 0.849 136 E CB -0.613 29.085 29.700 -0.003 0.000 0.774 136 E HN 0.270 8.626 8.360 -0.007 0.000 0.506 137 N N -1.727 116.971 118.700 -0.003 0.000 2.230 137 N HA 0.036 4.774 4.740 -0.003 0.000 0.202 137 N C 0.084 175.592 175.510 -0.003 0.000 1.119 137 N CA -0.212 52.836 53.050 -0.003 0.000 0.851 137 N CB 0.538 39.023 38.487 -0.003 0.000 0.990 137 N HN -0.552 7.997 8.380 -0.004 -0.171 0.497 138 G N 0.087 108.885 108.800 -0.002 0.000 2.176 138 G HA2 -0.454 3.503 3.960 -0.004 0.000 0.253 138 G HA3 -0.454 3.505 3.960 -0.001 0.000 0.253 138 G C -0.737 174.163 174.900 -0.000 0.000 0.979 138 G CA 0.411 45.509 45.100 -0.002 0.000 0.641 138 G HN -0.029 8.134 8.290 -0.002 0.126 0.530 139 N N 1.625 120.326 118.700 0.001 0.000 2.529 139 N HA 0.133 4.877 4.740 0.007 0.000 0.278 139 N C -0.930 174.588 175.510 0.012 0.000 1.146 139 N CA -0.756 52.298 53.050 0.007 0.000 0.980 139 N CB 1.133 39.623 38.487 0.005 0.000 1.124 139 N HN -0.426 8.150 8.380 -0.000 -0.196 0.458 140 A N 2.443 125.279 122.820 0.027 0.000 2.477 140 A HA 0.392 4.933 4.320 0.028 -0.205 0.246 140 A C -0.054 177.542 177.584 0.019 0.000 1.078 140 A CA 0.083 52.141 52.037 0.034 0.000 0.770 140 A CB 0.434 19.479 19.000 0.074 0.000 1.011 140 A HN 0.327 8.496 8.150 0.032 0.000 0.494 141 I N -1.963 118.606 120.570 -0.002 0.000 2.865 141 I HA 0.481 4.648 4.170 -0.006 0.000 0.302 141 I C -1.771 174.324 176.117 -0.037 0.000 1.140 141 I CA -2.038 59.252 61.300 -0.017 0.000 1.021 141 I CB 3.958 41.940 38.000 -0.030 0.000 1.233 141 I HN 0.391 8.598 8.210 -0.006 0.000 0.427 142 R N 2.989 123.468 120.500 -0.035 0.000 2.368 142 R HA 0.854 5.360 4.340 -0.058 -0.201 0.302 142 R C -0.312 175.950 176.300 -0.062 0.000 1.002 142 R CA -1.717 54.356 56.100 -0.046 0.000 0.929 142 R CB 1.080 31.366 30.300 -0.023 0.000 1.073 142 R HN 0.190 8.446 8.270 -0.024 0.000 0.464 143 V N 4.960 124.822 119.914 -0.085 0.000 2.841 143 V HA 0.133 4.208 4.120 -0.074 0.000 0.310 143 V C -1.387 174.685 176.094 -0.038 0.000 1.090 143 V CA -2.321 59.920 62.300 -0.099 0.000 0.930 143 V CB 3.948 35.625 31.823 -0.244 0.000 1.014 143 V HN 0.310 8.447 8.190 -0.089 0.000 0.425 144 D N 3.760 124.166 120.400 0.010 0.000 2.443 144 D HA 0.032 4.846 4.640 0.026 -0.159 0.239 144 D C 0.794 177.155 176.300 0.103 0.000 1.136 144 D CA 0.746 54.772 54.000 0.044 0.000 0.879 144 D CB 0.544 41.370 40.800 0.043 0.000 1.195 144 D HN 0.197 8.570 8.370 0.006 0.000 0.443 145 T N 0.861 115.454 114.554 0.065 0.000 2.926 145 T HA -0.037 4.506 4.350 0.100 -0.132 0.307 145 T C 0.657 175.384 174.700 0.045 0.000 1.059 145 T CA 0.155 62.296 62.100 0.068 0.000 1.122 145 T CB 1.003 69.891 68.868 0.033 0.000 0.972 145 T HN -0.105 8.159 8.240 0.041 0.000 0.545 146 T N 5.952 120.504 114.554 -0.003 0.000 2.869 146 T HA 0.065 4.368 4.350 -0.079 0.000 0.295 146 T C 0.344 175.014 174.700 -0.049 0.000 0.987 146 T CA 0.670 62.721 62.100 -0.083 0.000 1.109 146 T CB 0.711 69.452 68.868 -0.211 0.000 0.932 146 T HN 0.009 8.254 8.240 0.009 0.000 0.518 147 T N 6.757 121.284 114.554 -0.047 0.000 2.908 147 T HA -0.000 4.333 4.350 -0.028 0.000 0.301 147 T C -1.458 173.219 174.700 -0.039 0.000 1.019 147 T CA -0.267 61.811 62.100 -0.036 0.000 1.152 147 T CB -0.371 68.477 68.868 -0.033 0.000 0.966 147 T HN 0.041 8.251 8.240 -0.051 0.000 0.540 148 P HA 0.175 4.719 4.420 -0.026 -0.140 0.280 148 P C -1.601 175.681 177.300 -0.030 0.000 1.272 148 P CA -1.098 61.986 63.100 -0.027 0.000 0.819 148 P CB 1.891 33.579 31.700 -0.019 0.000 1.122 149 R N -0.453 120.032 120.500 -0.026 0.000 2.486 149 R HA 0.247 4.570 4.340 -0.029 0.000 0.286 149 R C -1.422 174.861 176.300 -0.028 0.000 0.999 149 R CA -1.544 54.540 56.100 -0.026 0.000 0.993 149 R CB 2.497 32.785 30.300 -0.020 0.000 1.084 149 R HN 0.183 8.441 8.270 -0.021 0.000 0.487 150 A N 3.688 126.488 122.820 -0.034 0.000 2.450 150 A HA -0.001 4.442 4.320 -0.061 -0.159 0.255 150 A C -0.182 177.391 177.584 -0.017 0.000 1.096 150 A CA -0.162 51.849 52.037 -0.043 0.000 0.778 150 A CB 0.371 19.342 19.000 -0.048 0.000 1.031 150 A HN 0.279 8.409 8.150 -0.033 0.000 0.494 151 L N 4.406 125.631 121.223 0.002 0.000 2.490 151 L HA -0.295 4.172 4.340 0.009 -0.122 0.274 151 L C 0.719 177.598 176.870 0.014 0.000 1.201 151 L CA 0.929 55.782 54.840 0.022 0.000 0.869 151 L CB 0.350 42.452 42.059 0.071 0.000 1.123 151 L HN -0.048 8.182 8.230 -0.001 0.000 0.484 152 E N 1.954 122.156 120.200 0.003 0.000 2.390 152 E HA -0.018 4.338 4.350 0.011 0.000 0.261 152 E C 1.422 178.021 176.600 -0.001 0.000 1.076 152 E CA -1.284 55.119 56.400 0.005 0.000 0.905 152 E CB 1.003 30.704 29.700 0.002 0.000 0.984 152 E HN -0.001 8.712 8.360 -0.001 -0.353 0.427 153 L N 2.160 123.392 121.223 0.016 0.000 2.043 153 L HA -0.296 4.041 4.340 -0.006 0.000 0.212 153 L C 0.741 177.607 176.870 -0.007 0.000 1.075 153 L CA 3.509 58.360 54.840 0.018 0.000 0.752 153 L CB -0.011 42.091 42.059 0.072 0.000 0.891 153 L HN 0.419 8.666 8.230 0.027 0.000 0.432 154 D N -4.602 115.799 120.400 0.002 0.000 2.371 154 D HA -0.229 4.415 4.640 0.005 0.000 0.221 154 D C 1.203 177.493 176.300 -0.018 0.000 0.986 154 D CA 2.057 56.056 54.000 -0.001 0.000 0.899 154 D CB -1.065 39.739 40.800 0.007 0.000 0.902 154 D HN 0.341 8.698 8.370 0.008 0.018 0.530 155 E N -1.780 118.401 120.200 -0.032 0.000 2.442 155 E HA 0.017 4.349 4.350 -0.029 0.000 0.195 155 E C 1.322 177.878 176.600 -0.074 0.000 1.030 155 E CA 0.621 56.998 56.400 -0.040 0.000 0.869 155 E CB 0.467 30.149 29.700 -0.030 0.000 0.857 155 E HN -0.439 7.728 8.360 -0.031 0.175 0.505 156 I N 0.422 120.917 120.570 -0.126 0.000 2.252 156 I HA -0.270 3.760 4.170 -0.232 0.000 0.245 156 I C -1.305 174.732 176.117 -0.134 0.000 1.102 156 I CA 5.878 67.043 61.300 -0.224 0.000 1.385 156 I CB -2.076 35.633 38.000 -0.484 0.000 1.064 156 I HN -0.763 7.330 8.210 -0.116 0.048 0.414 157 P HA -0.175 4.236 4.420 -0.015 0.000 0.218 157 P C 1.558 178.851 177.300 -0.012 0.000 1.148 157 P CA 3.171 66.257 63.100 -0.022 0.000 0.822 157 P CB -0.718 30.981 31.700 -0.001 0.000 0.784 158 G N -2.675 106.113 108.800 -0.020 0.000 2.408 158 G HA2 -0.226 3.725 3.960 -0.016 0.000 0.217 158 G HA3 -0.226 3.733 3.960 -0.003 0.000 0.217 158 G C 1.318 176.216 174.900 -0.003 0.000 1.150 158 G CA 1.732 46.826 45.100 -0.011 0.000 0.776 158 G HN -0.409 7.843 8.290 -0.030 0.020 0.542 159 I N 2.901 123.461 120.570 -0.016 0.000 2.179 159 I HA -0.313 3.867 4.170 0.017 0.000 0.242 159 I C 2.132 178.331 176.117 0.137 0.000 1.088 159 I CA 1.313 62.625 61.300 0.020 0.000 1.357 159 I CB -1.043 36.926 38.000 -0.051 0.000 1.051 159 I HN -0.866 7.319 8.210 -0.043 0.000 0.409 160 V N 0.142 120.108 119.914 0.086 0.000 2.287 160 V HA -0.547 3.684 4.120 0.185 0.000 0.248 160 V C 2.137 178.313 176.094 0.137 0.000 1.053 160 V CA 4.377 66.749 62.300 0.121 0.000 1.027 160 V CB -0.911 30.934 31.823 0.037 0.000 0.646 160 V HN -0.322 7.879 8.190 0.018 0.000 0.447 161 N N -0.789 117.956 118.700 0.075 0.000 2.223 161 N HA -0.344 4.435 4.740 0.064 0.000 0.185 161 N C 1.775 177.320 175.510 0.058 0.000 1.016 161 N CA 3.403 56.489 53.050 0.059 0.000 0.863 161 N CB -0.032 38.473 38.487 0.030 0.000 0.983 161 N HN -0.098 8.313 8.380 0.052 0.000 0.429 162 D N 0.252 120.675 120.400 0.037 0.000 2.117 162 D HA -0.215 4.411 4.640 -0.024 0.000 0.198 162 D C 2.297 178.577 176.300 -0.033 0.000 0.982 162 D CA 3.396 57.377 54.000 -0.031 0.000 0.828 162 D CB -0.638 40.100 40.800 -0.104 0.000 0.967 162 D HN -0.388 7.920 8.370 0.041 0.087 0.464 163 F N -0.240 119.724 119.950 0.024 0.000 2.134 163 F HA -0.355 4.196 4.527 0.040 0.000 0.299 163 F C 1.805 177.623 175.800 0.030 0.000 1.097 163 F CA 4.029 62.047 58.000 0.030 0.000 1.264 163 F CB -0.164 38.848 39.000 0.021 0.000 1.001 163 F HN -0.445 7.981 8.300 0.210 0.000 0.479 164 R N -0.919 119.707 120.500 0.209 0.000 2.080 164 R HA -0.587 3.836 4.340 0.137 0.000 0.236 164 R C 1.936 178.290 176.300 0.090 0.000 1.137 164 R CA 4.031 60.209 56.100 0.129 0.000 0.943 164 R CB -0.165 30.191 30.300 0.093 0.000 0.846 164 R HN -0.201 8.199 8.270 0.217 0.000 0.431 165 Q N -1.401 118.438 119.800 0.065 0.000 2.124 165 Q HA -0.245 4.114 4.340 0.032 0.000 0.202 165 Q C 1.960 177.984 176.000 0.040 0.000 0.977 165 Q CA 2.677 58.505 55.803 0.040 0.000 0.850 165 Q CB -0.467 28.289 28.738 0.030 0.000 0.901 165 Q HN -0.149 8.161 8.270 0.067 0.000 0.429 166 A N -0.320 122.528 122.820 0.046 0.000 1.930 166 A HA -0.174 4.170 4.320 0.039 0.000 0.217 166 A C 2.106 179.717 177.584 0.044 0.000 1.175 166 A CA 2.721 54.781 52.037 0.039 0.000 0.627 166 A CB -0.608 18.400 19.000 0.014 0.000 0.815 166 A HN -0.357 7.820 8.150 0.046 0.000 0.443 167 V N -0.401 119.565 119.914 0.086 0.000 2.358 167 V HA -0.512 3.681 4.120 0.122 0.000 0.246 167 V C 1.556 177.663 176.094 0.022 0.000 1.047 167 V CA 4.237 66.606 62.300 0.115 0.000 1.035 167 V CB -0.577 31.360 31.823 0.190 0.000 0.658 167 V HN -0.365 7.890 8.190 0.109 0.000 0.452 168 A N -0.295 122.516 122.820 -0.014 0.000 1.908 168 A HA -0.351 3.853 4.320 -0.193 0.000 0.218 168 A C 1.855 179.368 177.584 -0.119 0.000 1.181 168 A CA 3.344 55.317 52.037 -0.107 0.000 0.627 168 A CB -0.682 18.285 19.000 -0.056 0.000 0.818 168 A HN -0.255 7.909 8.150 0.022 0.000 0.445 169 N N -1.611 117.065 118.700 -0.040 0.000 2.188 169 N HA -0.291 4.437 4.740 -0.019 0.000 0.184 169 N C 2.043 177.557 175.510 0.006 0.000 1.018 169 N CA 2.139 55.183 53.050 -0.010 0.000 0.858 169 N CB -0.469 38.037 38.487 0.032 0.000 0.989 169 N HN -0.269 8.102 8.380 -0.015 0.000 0.426 170 A N 0.628 123.454 122.820 0.010 0.000 1.902 170 A HA -0.311 4.157 4.320 0.246 0.000 0.217 170 A C 1.755 179.387 177.584 0.081 0.000 1.181 170 A CA 3.129 55.239 52.037 0.121 0.000 0.623 170 A CB -0.643 18.390 19.000 0.055 0.000 0.818 170 A HN 0.094 8.241 8.150 -0.004 0.000 0.443 171 R N -0.893 119.428 120.500 -0.298 0.000 2.073 171 R HA -0.317 3.584 4.340 -0.732 0.000 0.234 171 R C 2.652 178.775 176.300 -0.295 0.000 1.134 171 R CA 3.078 58.763 56.100 -0.692 0.000 0.952 171 R CB -0.042 29.427 30.300 -1.385 0.000 0.850 171 R HN -0.270 7.812 8.270 -0.314 0.000 0.433 172 E N 0.437 120.518 120.200 -0.199 0.000 2.110 172 E HA -0.230 4.052 4.350 -0.115 0.000 0.193 172 E C 1.344 177.920 176.600 -0.040 0.000 0.988 172 E CA 2.400 58.740 56.400 -0.101 0.000 0.804 172 E CB -0.155 29.505 29.700 -0.067 0.000 0.745 172 E HN -0.515 7.718 8.360 -0.211 0.000 0.458 173 A N -4.435 118.387 122.820 0.004 0.000 2.209 173 A HA -0.097 4.229 4.320 0.011 0.000 0.212 173 A C -0.720 176.787 177.584 -0.129 0.000 1.158 173 A CA 0.202 52.239 52.037 0.001 0.000 0.742 173 A CB 0.468 19.538 19.000 0.117 0.000 0.790 173 A HN -0.349 7.705 8.150 0.022 0.108 0.472 174 G N -3.031 105.730 108.800 -0.064 0.000 2.157 174 G HA2 -0.328 3.611 3.960 -0.036 0.000 0.239 174 G HA3 -0.328 3.656 3.960 0.039 0.000 0.239 174 G C -0.171 174.740 174.900 0.019 0.000 0.982 174 G CA -0.185 44.904 45.100 -0.020 0.000 0.650 174 G HN -0.569 7.537 8.290 -0.022 0.170 0.527 175 F N -1.075 118.939 119.950 0.107 0.000 2.553 175 F HA -0.212 4.359 4.527 0.072 0.000 0.356 175 F C 0.331 176.287 175.800 0.261 0.000 1.142 175 F CA 1.291 59.362 58.000 0.119 0.000 1.322 175 F CB 0.062 39.078 39.000 0.028 0.000 1.126 175 F HN -0.880 7.472 8.300 0.088 0.000 0.599 176 D N 0.046 120.672 120.400 0.375 0.000 2.213 176 D HA -0.030 4.758 4.640 0.247 0.000 0.205 176 D C -0.362 175.999 176.300 0.102 0.000 0.961 176 D CA 3.311 57.452 54.000 0.235 0.000 0.853 176 D CB 1.348 42.236 40.800 0.148 0.000 0.967 176 D HN 0.192 8.775 8.370 0.355 0.000 0.496 177 L N -6.535 114.753 121.223 0.108 0.000 2.491 177 L HA 0.479 4.796 4.340 -0.227 -0.113 0.254 177 L C -2.107 174.774 176.870 0.019 0.000 1.048 177 L CA -1.375 53.439 54.840 -0.042 0.000 0.855 177 L CB 4.616 46.680 42.059 0.009 0.000 1.466 177 L HN -0.904 7.443 8.230 0.194 0.000 0.409 178 V N -4.668 115.217 119.914 -0.049 0.000 2.769 178 V HA 0.758 4.960 4.120 -0.111 -0.149 0.312 178 V C -2.204 173.840 176.094 -0.083 0.000 1.061 178 V CA -3.164 59.101 62.300 -0.059 0.000 0.931 178 V CB 3.476 35.304 31.823 0.009 0.000 1.010 178 V HN 0.475 8.592 8.190 -0.121 0.000 0.433 179 E N 5.052 125.222 120.200 -0.050 0.000 2.155 179 E HA 0.432 4.898 4.350 -0.097 -0.174 0.264 179 E C -1.323 175.275 176.600 -0.004 0.000 0.886 179 E CA -2.381 54.009 56.400 -0.017 0.000 0.752 179 E CB 2.691 32.458 29.700 0.112 0.000 1.133 179 E HN 0.437 8.752 8.360 -0.075 0.000 0.414 180 L N 6.652 127.861 121.223 -0.024 0.000 2.367 180 L HA -0.006 4.420 4.340 0.143 0.000 0.275 180 L C 1.022 177.951 176.870 0.098 0.000 1.129 180 L CA -0.233 54.635 54.840 0.046 0.000 0.839 180 L CB 0.199 42.209 42.059 -0.080 0.000 1.133 180 L HN 0.429 8.606 8.230 -0.087 0.000 0.453 181 H N 7.638 126.791 119.070 0.137 0.000 3.008 181 H HA 0.226 4.798 4.556 0.028 0.000 0.268 181 H C -1.220 174.194 175.328 0.143 0.000 1.323 181 H CA -0.666 55.461 56.048 0.131 0.000 1.401 181 H CB 0.266 30.180 29.762 0.253 0.000 1.556 181 H HN 0.250 nan 8.280 nan 0.000 0.502 182 S N 6.050 121.910 115.700 0.267 0.000 2.561 182 S HA 0.132 4.703 4.470 0.169 0.000 0.245 182 S C -1.660 172.950 174.600 0.018 0.000 1.001 182 S CA -0.582 57.693 58.200 0.126 0.000 1.002 182 S CB -0.387 62.816 63.200 0.004 0.000 0.805 182 S HN 0.042 8.449 8.310 0.161 0.000 0.458 183 A N 0.964 123.852 122.820 0.113 0.000 2.437 183 A HA 0.584 4.544 4.320 -0.600 0.000 0.288 183 A C -0.627 176.981 177.584 0.039 0.000 1.201 183 A CA -0.536 51.343 52.037 -0.263 0.000 0.795 183 A CB 1.354 20.008 19.000 -0.576 0.000 1.359 183 A HN -0.698 7.664 8.150 0.488 0.081 0.435 184 H N -1.658 117.408 119.070 -0.007 0.000 2.899 184 H HA -0.372 4.327 4.556 0.239 0.000 0.282 184 H C 0.092 175.422 175.328 0.004 0.000 1.198 184 H CA -0.195 55.955 56.048 0.169 0.000 1.140 184 H CB -1.181 28.784 29.762 0.338 0.000 1.317 184 H HN 0.521 nan 8.280 nan 0.000 0.375 185 G N -4.842 104.216 108.800 0.431 0.000 2.148 185 G HA2 -0.519 3.424 3.960 -0.029 0.000 0.254 185 G HA3 -0.519 3.487 3.960 0.076 0.000 0.254 185 G C -1.026 173.804 174.900 -0.117 0.000 0.981 185 G CA 0.320 45.461 45.100 0.070 0.000 0.670 185 G HN -0.025 8.826 8.290 1.004 0.041 0.528 186 Y N -2.973 117.483 120.300 0.260 0.000 2.378 186 Y HA -0.001 4.688 4.550 0.231 0.000 0.351 186 Y C 0.839 176.857 175.900 0.197 0.000 1.351 186 Y CA -0.785 57.443 58.100 0.213 0.000 1.616 186 Y CB 0.279 38.860 38.460 0.202 0.000 1.622 186 Y HN -0.882 7.410 8.280 0.101 0.048 0.568 187 L N -0.215 121.222 121.223 0.356 0.000 2.012 187 L HA -0.251 4.391 4.340 0.237 -0.160 0.210 187 L C 1.611 178.672 176.870 0.318 0.000 1.073 187 L CA 3.688 58.684 54.840 0.261 0.000 0.748 187 L CB 0.035 42.154 42.059 0.101 0.000 0.891 187 L HN -0.122 8.338 8.230 0.384 0.000 0.431 188 L N -2.370 119.022 121.223 0.281 0.000 2.046 188 L HA -0.473 3.971 4.340 0.173 0.000 0.208 188 L C 2.724 179.775 176.870 0.303 0.000 1.077 188 L CA 2.707 57.679 54.840 0.220 0.000 0.747 188 L CB -0.993 41.133 42.059 0.112 0.000 0.896 188 L HN 0.094 8.502 8.230 0.298 0.000 0.432 189 H N 1.100 120.271 119.070 0.168 0.000 2.423 189 H HA -0.264 4.364 4.556 0.120 0.000 0.297 189 H C 2.461 177.869 175.328 0.134 0.000 1.075 189 H CA 1.067 57.194 56.048 0.132 0.000 1.342 189 H CB 0.484 30.304 29.762 0.097 0.000 1.395 189 H HN 0.064 nan 8.280 nan 0.000 0.530 190 Q N -1.801 118.092 119.800 0.155 0.000 2.135 190 Q HA -0.322 3.968 4.340 -0.083 0.000 0.204 190 Q C 1.218 177.214 176.000 -0.006 0.000 0.981 190 Q CA 2.561 58.373 55.803 0.015 0.000 0.856 190 Q CB 0.036 28.789 28.738 0.025 0.000 0.902 190 Q HN -0.184 8.139 8.270 0.230 0.085 0.425 191 F N -3.347 116.625 119.950 0.037 0.000 2.163 191 F HA -0.273 4.279 4.527 0.041 0.000 0.297 191 F C 1.897 177.736 175.800 0.066 0.000 1.094 191 F CA 3.302 61.334 58.000 0.053 0.000 1.290 191 F CB 0.285 39.330 39.000 0.074 0.000 1.017 191 F HN -0.861 7.721 8.300 0.469 0.000 0.483 192 L N -3.238 118.148 121.223 0.271 0.000 2.083 192 L HA -0.313 4.282 4.340 0.210 -0.129 0.209 192 L C 0.374 177.319 176.870 0.125 0.000 1.083 192 L CA 2.233 57.202 54.840 0.215 0.000 0.752 192 L CB 0.261 42.492 42.059 0.287 0.000 0.899 192 L HN -0.613 7.724 8.230 0.305 0.075 0.433 193 S N -1.822 113.896 115.700 0.030 0.000 2.513 193 S HA 0.308 4.786 4.470 0.013 0.000 0.276 193 S C -0.723 173.856 174.600 -0.035 0.000 1.254 193 S CA -3.024 55.155 58.200 -0.035 0.000 1.053 193 S CB 0.067 63.150 63.200 -0.194 0.000 0.958 193 S HN -0.499 7.786 8.310 0.004 0.028 0.491 194 P HA -0.007 4.397 4.420 -0.026 0.000 0.222 194 P C -0.387 176.887 177.300 -0.042 0.000 1.147 194 P CA 1.167 64.251 63.100 -0.025 0.000 0.790 194 P CB 0.278 31.971 31.700 -0.013 0.000 0.780 195 S N -3.437 112.235 115.700 -0.047 0.000 2.423 195 S HA -0.135 4.311 4.470 -0.040 0.000 0.231 195 S C 1.426 175.986 174.600 -0.067 0.000 1.014 195 S CA 2.037 60.206 58.200 -0.050 0.000 0.965 195 S CB 0.183 63.357 63.200 -0.043 0.000 0.785 195 S HN -0.372 7.874 8.310 -0.046 0.037 0.495 196 S N -3.664 111.981 115.700 -0.092 0.000 2.559 196 S HA 0.095 4.507 4.470 -0.096 0.000 0.226 196 S C -0.474 174.037 174.600 -0.148 0.000 1.000 196 S CA 0.007 58.141 58.200 -0.112 0.000 0.948 196 S CB 1.039 64.164 63.200 -0.124 0.000 0.870 196 S HN -0.487 7.728 8.310 -0.096 0.037 0.497 197 N N 1.732 120.351 118.700 -0.135 0.000 2.531 197 N HA 0.163 4.763 4.740 -0.234 0.000 0.268 197 N C -1.474 173.976 175.510 -0.101 0.000 1.023 197 N CA -0.277 52.673 53.050 -0.167 0.000 0.896 197 N CB 1.097 39.492 38.487 -0.154 0.000 1.233 197 N HN -0.678 7.639 8.380 -0.104 0.000 0.512 198 Q N 3.516 123.256 119.800 -0.099 0.000 2.175 198 Q HA 0.211 4.522 4.340 -0.049 0.000 0.225 198 Q C 0.416 176.387 176.000 -0.048 0.000 0.837 198 Q CA -0.788 54.979 55.803 -0.061 0.000 1.032 198 Q CB 1.027 29.733 28.738 -0.054 0.000 1.137 198 Q HN 0.147 8.343 8.270 -0.124 0.000 0.483 199 R N 1.254 121.723 120.500 -0.051 0.000 2.694 199 R HA -0.089 4.241 4.340 -0.016 0.000 0.268 199 R C 0.730 177.037 176.300 0.012 0.000 1.061 199 R CA 1.210 57.303 56.100 -0.012 0.000 1.133 199 R CB 0.333 30.645 30.300 0.020 0.000 1.020 199 R HN -0.282 8.178 8.270 -0.075 -0.235 0.475 200 T N -2.374 112.193 114.554 0.022 0.000 3.084 200 T HA 0.103 4.461 4.350 0.014 0.000 0.270 200 T C -0.740 173.982 174.700 0.035 0.000 1.008 200 T CA -0.351 61.761 62.100 0.020 0.000 0.900 200 T CB -0.035 68.839 68.868 0.010 0.000 1.084 200 T HN 0.313 8.568 8.240 0.025 0.000 0.538 201 D N 1.076 121.515 120.400 0.066 0.000 2.507 201 D HA 0.047 4.721 4.640 0.058 0.000 0.280 201 D C 1.292 177.631 176.300 0.066 0.000 1.219 201 D CA -1.195 52.857 54.000 0.086 0.000 1.085 201 D CB 0.388 41.272 40.800 0.140 0.000 1.134 201 D HN -0.720 7.697 8.370 0.079 0.000 0.583 202 Q N -3.121 116.699 119.800 0.034 0.000 2.515 202 Q HA -0.201 4.085 4.340 -0.090 0.000 0.212 202 Q C 0.064 175.908 176.000 -0.260 0.000 0.970 202 Q CA 1.964 57.693 55.803 -0.123 0.000 0.941 202 Q CB -0.507 28.106 28.738 -0.210 0.000 0.998 202 Q HN 0.523 8.837 8.270 0.074 0.000 0.518 203 Y N -0.245 120.112 120.300 0.095 0.000 2.485 203 Y HA 0.392 5.184 4.550 0.151 -0.151 0.260 203 Y C -0.705 175.292 175.900 0.162 0.000 1.173 203 Y CA 0.073 58.276 58.100 0.173 0.000 1.252 203 Y CB 0.698 39.337 38.460 0.299 0.000 1.123 203 Y HN -0.484 8.132 8.280 0.247 -0.188 0.524 204 G N -3.950 104.940 108.800 0.150 0.000 2.725 204 G HA2 0.249 4.452 3.960 0.058 0.000 0.288 204 G HA3 0.249 4.265 3.960 0.092 0.000 0.288 204 G C -1.500 173.417 174.900 0.028 0.000 1.399 204 G CA -1.353 43.794 45.100 0.079 0.000 0.859 204 G HN -0.862 7.496 8.290 0.113 0.000 0.479 205 G N -0.142 108.663 108.800 0.009 0.000 3.299 205 G HA2 -0.314 3.639 3.960 -0.012 0.000 0.251 205 G HA3 -0.314 3.639 3.960 -0.012 0.000 0.251 205 G C -0.256 174.631 174.900 -0.021 0.000 1.741 205 G CA 0.023 45.117 45.100 -0.009 0.000 1.151 205 G HN 0.248 8.543 8.290 0.009 0.000 0.561 206 S N 1.806 117.483 115.700 -0.038 0.000 2.589 206 S HA 0.102 4.533 4.470 -0.065 0.000 0.265 206 S C 1.252 175.805 174.600 -0.079 0.000 1.342 206 S CA -0.078 58.082 58.200 -0.067 0.000 1.005 206 S CB 1.351 64.498 63.200 -0.089 0.000 0.909 206 S HN -0.039 8.249 8.310 -0.036 0.000 0.555 207 V N 2.078 121.911 119.914 -0.135 0.000 2.407 207 V HA -0.429 3.656 4.120 -0.059 0.000 0.248 207 V C 1.183 177.155 176.094 -0.203 0.000 1.055 207 V CA 3.598 65.805 62.300 -0.156 0.000 1.049 207 V CB 0.147 31.840 31.823 -0.218 0.000 0.662 207 V HN 0.577 8.678 8.190 -0.149 0.000 0.455 208 E N -1.635 118.374 120.200 -0.317 0.000 2.077 208 E HA -0.339 3.918 4.350 -0.156 0.000 0.193 208 E C 1.713 178.291 176.600 -0.036 0.000 0.989 208 E CA 3.483 59.772 56.400 -0.186 0.000 0.800 208 E CB -0.819 28.782 29.700 -0.165 0.000 0.746 208 E HN 0.357 8.503 8.360 -0.337 0.011 0.452 209 N N -2.582 116.084 118.700 -0.057 0.000 2.216 209 N HA -0.152 4.604 4.740 -0.101 -0.077 0.183 209 N C 2.336 177.878 175.510 0.053 0.000 1.017 209 N CA 2.052 55.075 53.050 -0.046 0.000 0.861 209 N CB 0.197 38.658 38.487 -0.043 0.000 0.986 209 N HN -0.556 7.776 8.380 -0.079 0.000 0.428 210 R N -0.124 120.423 120.500 0.080 0.000 2.115 210 R HA -0.206 4.269 4.340 0.225 0.000 0.230 210 R C 1.215 177.635 176.300 0.200 0.000 1.111 210 R CA 2.972 59.169 56.100 0.162 0.000 0.976 210 R CB 0.096 30.462 30.300 0.111 0.000 0.870 210 R HN -0.147 8.143 8.270 0.035 0.000 0.445 211 A N -3.874 119.047 122.820 0.168 0.000 2.218 211 A HA 0.028 4.450 4.320 0.170 0.000 0.209 211 A C 0.051 177.715 177.584 0.133 0.000 1.168 211 A CA 0.602 52.748 52.037 0.181 0.000 0.804 211 A CB 0.061 19.230 19.000 0.282 0.000 0.834 211 A HN -0.218 7.997 8.150 0.141 0.020 0.482 212 R N -0.994 119.570 120.500 0.107 0.000 2.083 212 R HA -0.389 3.972 4.340 0.035 0.000 0.237 212 R C 1.159 177.520 176.300 0.101 0.000 1.137 212 R CA 3.982 60.109 56.100 0.045 0.000 0.951 212 R CB -0.109 30.097 30.300 -0.158 0.000 0.851 212 R HN -0.627 7.529 8.270 0.110 0.180 0.434 213 L N -2.714 118.604 121.223 0.159 0.000 1.994 213 L HA -0.162 4.222 4.340 0.074 0.000 0.208 213 L C 1.771 178.587 176.870 -0.089 0.000 1.071 213 L CA 2.633 57.469 54.840 -0.006 0.000 0.745 213 L CB -0.592 41.234 42.059 -0.388 0.000 0.892 213 L HN -0.063 8.297 8.230 0.217 0.000 0.431 214 V N -1.759 118.113 119.914 -0.070 0.000 2.392 214 V HA -0.456 3.545 4.120 -0.199 0.000 0.249 214 V C 2.164 178.198 176.094 -0.100 0.000 1.059 214 V CA 4.071 66.303 62.300 -0.114 0.000 1.051 214 V CB -0.687 31.111 31.823 -0.042 0.000 0.658 214 V HN -0.339 7.839 8.190 -0.019 0.000 0.455 215 L N -1.542 119.657 121.223 -0.041 0.000 2.156 215 L HA -0.395 3.911 4.340 -0.056 0.000 0.208 215 L C 1.958 178.804 176.870 -0.039 0.000 1.095 215 L CA 3.221 58.037 54.840 -0.039 0.000 0.770 215 L CB -0.669 41.381 42.059 -0.014 0.000 0.914 215 L HN -0.345 7.869 8.230 -0.009 0.011 0.439 216 E N 0.464 120.650 120.200 -0.023 0.000 2.110 216 E HA -0.373 3.975 4.350 -0.004 0.000 0.193 216 E C 2.411 178.983 176.600 -0.047 0.000 0.988 216 E CA 3.222 59.614 56.400 -0.013 0.000 0.804 216 E CB 0.051 29.768 29.700 0.028 0.000 0.745 216 E HN -0.359 7.996 8.360 -0.009 0.000 0.458 217 V N -0.115 119.730 119.914 -0.114 0.000 2.307 217 V HA -0.406 3.647 4.120 -0.113 0.000 0.245 217 V C 1.852 177.865 176.094 -0.135 0.000 1.045 217 V CA 4.171 66.363 62.300 -0.180 0.000 1.024 217 V CB -0.558 30.991 31.823 -0.457 0.000 0.651 217 V HN -0.268 7.844 8.190 -0.130 0.000 0.449 218 V N 0.622 120.457 119.914 -0.131 0.000 2.287 218 V HA -0.541 3.517 4.120 -0.103 0.000 0.248 218 V C 2.159 178.223 176.094 -0.051 0.000 1.053 218 V CA 4.542 66.786 62.300 -0.093 0.000 1.027 218 V CB -1.189 30.582 31.823 -0.087 0.000 0.646 218 V HN 0.008 8.112 8.190 -0.142 0.000 0.447 219 D N -0.566 119.812 120.400 -0.037 0.000 2.117 219 D HA -0.301 4.329 4.640 -0.016 0.000 0.197 219 D C 2.277 178.577 176.300 0.001 0.000 0.987 219 D CA 3.534 57.524 54.000 -0.016 0.000 0.829 219 D CB -0.540 40.255 40.800 -0.010 0.000 0.961 219 D HN -0.347 7.997 8.370 -0.044 0.000 0.460 220 A N -0.828 121.995 122.820 0.004 0.000 1.902 220 A HA -0.161 4.177 4.320 0.030 0.000 0.217 220 A C 2.315 179.927 177.584 0.047 0.000 1.181 220 A CA 3.221 55.274 52.037 0.028 0.000 0.623 220 A CB -0.459 18.563 19.000 0.037 0.000 0.818 220 A HN -0.287 7.857 8.150 -0.009 0.000 0.443 221 V N -6.056 113.883 119.914 0.041 0.000 2.591 221 V HA -0.266 3.917 4.120 0.105 0.000 0.249 221 V C 0.671 176.814 176.094 0.081 0.000 1.053 221 V CA 2.511 64.858 62.300 0.077 0.000 1.068 221 V CB -0.967 30.900 31.823 0.073 0.000 0.689 221 V HN -0.387 7.812 8.190 0.015 0.000 0.462 222 C N -1.047 118.272 119.300 0.033 0.000 2.429 222 C HA -0.295 4.173 4.460 0.014 0.000 0.277 222 C C 2.007 177.030 174.990 0.054 0.000 1.262 222 C CA 3.495 62.526 59.018 0.023 0.000 1.733 222 C CB -1.314 26.420 27.740 -0.010 0.000 2.010 222 C HN -0.185 8.053 8.230 0.012 0.000 0.483 223 N N -1.150 117.580 118.700 0.051 0.000 2.142 223 N HA -0.286 4.483 4.740 0.048 0.000 0.186 223 N C 1.504 177.063 175.510 0.082 0.000 1.023 223 N CA 2.894 55.977 53.050 0.054 0.000 0.852 223 N CB 0.118 38.628 38.487 0.039 0.000 0.998 223 N HN -0.428 7.976 8.380 0.041 0.000 0.424 224 E N 0.363 120.624 120.200 0.101 0.000 2.047 224 E HA -0.174 4.223 4.350 0.078 0.000 0.191 224 E C 1.431 178.139 176.600 0.179 0.000 0.987 224 E CA 2.027 58.493 56.400 0.111 0.000 0.799 224 E CB -0.039 29.723 29.700 0.102 0.000 0.752 224 E HN -0.374 8.043 8.360 0.095 0.000 0.449 225 W N -0.729 120.574 121.300 0.005 0.000 4.432 225 W HA 0.310 4.974 4.660 0.007 0.000 0.381 225 W C -0.936 175.582 176.519 -0.002 0.000 3.372 225 W CA -0.610 56.738 57.345 0.004 0.000 1.285 225 W CB 1.245 30.708 29.460 0.005 0.000 2.109 225 W HN -0.388 nan 8.180 nan 0.000 0.373 226 S N -1.574 114.187 115.700 0.102 0.000 2.537 226 S HA 0.237 4.794 4.470 0.015 -0.078 0.271 226 S C 0.573 175.083 174.600 -0.151 0.000 1.148 226 S CA -0.616 57.552 58.200 -0.053 0.000 0.868 226 S CB 1.727 64.856 63.200 -0.119 0.000 1.115 226 S HN -0.252 8.069 8.310 0.020 0.000 0.461 227 A N 4.515 127.275 122.820 -0.101 0.000 1.940 227 A HA -0.128 4.129 4.320 -0.105 0.000 0.219 227 A C 0.982 178.470 177.584 -0.159 0.000 1.176 227 A CA 2.737 54.707 52.037 -0.111 0.000 0.631 227 A CB 0.067 19.023 19.000 -0.073 0.000 0.814 227 A HN 0.687 8.796 8.150 -0.068 0.000 0.446 228 D N -5.761 114.533 120.400 -0.176 0.000 2.371 228 D HA -0.132 4.424 4.640 -0.140 0.000 0.234 228 D C 0.112 176.243 176.300 -0.282 0.000 1.049 228 D CA 0.892 54.784 54.000 -0.180 0.000 0.907 228 D CB -0.916 39.802 40.800 -0.136 0.000 0.891 228 D HN -0.336 7.916 8.370 -0.161 0.022 0.531 229 R N -3.504 116.737 120.500 -0.433 0.000 2.397 229 R HA 0.318 4.324 4.340 -0.556 0.000 0.241 229 R C -1.751 174.291 176.300 -0.431 0.000 0.914 229 R CA -1.396 54.320 56.100 -0.640 0.000 1.071 229 R CB 1.133 30.550 30.300 -1.472 0.000 1.116 229 R HN -0.402 7.534 8.270 -0.403 0.092 0.524 230 I N -0.876 119.504 120.570 -0.317 0.000 2.378 230 I HA 0.462 4.476 4.170 -0.261 0.000 0.291 230 I C -0.856 174.997 176.117 -0.440 0.000 0.992 230 I CA -2.436 58.693 61.300 -0.284 0.000 1.154 230 I CB 0.566 38.455 38.000 -0.185 0.000 1.315 230 I HN -0.632 7.405 8.210 -0.288 0.000 0.448 231 G N 5.349 113.745 108.800 -0.674 0.000 2.568 231 G HA2 0.861 3.302 3.960 -2.532 0.000 0.313 231 G HA3 0.861 4.282 3.960 -1.162 -0.159 0.313 231 G C -2.996 171.565 174.900 -0.565 0.000 1.227 231 G CA -2.192 42.148 45.100 -1.268 0.000 0.979 231 G HN 0.761 8.745 8.290 -0.509 0.000 0.486 232 I N -1.131 119.211 120.570 -0.379 0.000 2.656 232 I HA 0.436 4.665 4.170 -0.129 -0.136 0.292 232 I C -2.856 173.238 176.117 -0.039 0.000 1.144 232 I CA -1.410 59.798 61.300 -0.153 0.000 1.038 232 I CB 4.050 41.954 38.000 -0.160 0.000 1.244 232 I HN -0.454 7.496 8.210 -0.433 0.000 0.420 233 R N 6.912 127.366 120.500 -0.077 0.000 2.338 233 R HA 0.724 5.192 4.340 -0.144 -0.215 0.317 233 R C -1.425 174.746 176.300 -0.214 0.000 0.968 233 R CA -1.656 54.327 56.100 -0.195 0.000 0.849 233 R CB 2.362 32.410 30.300 -0.419 0.000 1.128 233 R HN 0.318 8.541 8.270 -0.080 0.000 0.448 234 V N 0.339 120.112 119.914 -0.234 0.000 2.960 234 V HA 0.550 4.503 4.120 -0.277 0.000 0.315 234 V C -2.203 173.683 176.094 -0.347 0.000 1.087 234 V CA -3.626 58.522 62.300 -0.254 0.000 0.982 234 V CB 3.660 35.391 31.823 -0.152 0.000 1.039 234 V HN 0.295 8.359 8.190 -0.210 0.000 0.437 235 S N 0.239 115.640 115.700 -0.498 0.000 2.235 235 S HA 0.663 5.018 4.470 -0.434 -0.146 0.152 235 S C -1.644 172.715 174.600 -0.401 0.000 1.649 235 S CA -2.022 55.770 58.200 -0.682 0.000 1.277 235 S CB -0.146 62.172 63.200 -1.470 0.000 1.299 235 S HN 0.533 8.519 8.310 -0.540 0.000 0.388 236 P HA 0.120 4.737 4.420 0.077 -0.152 0.261 236 P C -1.471 175.923 177.300 0.157 0.000 1.268 236 P CA 0.040 63.186 63.100 0.076 0.000 0.833 236 P CB 0.955 32.704 31.700 0.081 0.000 1.231 237 I N -1.138 119.575 120.570 0.238 0.000 2.447 237 I HA 0.005 4.375 4.170 0.077 -0.154 0.287 237 I C -0.447 175.899 176.117 0.381 0.000 1.023 237 I CA -1.663 59.739 61.300 0.169 0.000 1.083 237 I CB 0.581 38.532 38.000 -0.082 0.000 1.245 237 I HN -0.476 7.864 8.210 0.310 0.056 0.434 238 G N 6.434 115.383 108.800 0.248 0.000 2.526 238 G HA2 -0.196 3.825 3.960 0.101 0.000 0.250 238 G HA3 -0.196 3.802 3.960 0.063 0.000 0.250 238 G C -2.103 172.896 174.900 0.165 0.000 1.289 238 G CA -0.285 44.904 45.100 0.149 0.000 0.947 238 G HN 0.411 9.146 8.290 0.168 -0.345 0.517 239 T N 2.076 116.561 114.554 -0.115 0.000 2.807 239 T HA 0.499 5.095 4.350 0.146 -0.158 0.279 239 T C -1.418 173.063 174.700 -0.365 0.000 0.993 239 T CA 0.122 62.180 62.100 -0.069 0.000 0.970 239 T CB 1.860 70.694 68.868 -0.056 0.000 0.950 239 T HN 0.147 8.242 8.240 -0.241 0.000 0.441 240 F N 3.639 123.671 119.950 0.138 0.000 2.536 240 F HA 0.328 5.089 4.527 0.088 -0.182 0.322 240 F C -0.103 175.748 175.800 0.085 0.000 1.144 240 F CA -1.493 56.588 58.000 0.134 0.000 0.924 240 F CB 3.140 42.299 39.000 0.265 0.000 1.181 240 F HN 0.085 8.598 8.300 0.356 0.000 0.438 241 Q N 5.347 125.229 119.800 0.136 0.000 2.434 241 Q HA -0.449 3.927 4.340 0.061 0.000 0.299 241 Q C -1.071 174.961 176.000 0.054 0.000 1.286 241 Q CA 1.414 57.266 55.803 0.081 0.000 0.872 241 Q CB -1.849 26.924 28.738 0.059 0.000 1.193 241 Q HN 0.497 9.066 8.270 0.087 -0.247 0.466 242 N N -7.516 111.209 118.700 0.042 0.000 2.909 242 N HA -0.266 4.481 4.740 0.013 0.000 0.242 242 N C -1.349 174.171 175.510 0.016 0.000 0.975 242 N CA 1.531 54.593 53.050 0.020 0.000 0.921 242 N CB -0.009 38.484 38.487 0.009 0.000 1.112 242 N HN 0.309 8.695 8.380 0.038 0.017 0.581 243 V N 1.201 121.143 119.914 0.046 0.000 2.328 243 V HA 0.210 4.305 4.120 -0.042 0.000 0.278 243 V C -0.760 175.381 176.094 0.078 0.000 1.021 243 V CA -1.916 60.380 62.300 -0.008 0.000 0.838 243 V CB 0.098 31.841 31.823 -0.133 0.000 0.999 243 V HN -0.386 7.671 8.190 0.092 0.189 0.447 244 D N 7.122 127.547 120.400 0.042 0.000 2.506 244 D HA 0.103 4.992 4.640 0.170 -0.147 0.272 244 D C -0.480 175.883 176.300 0.105 0.000 1.214 244 D CA -1.448 52.612 54.000 0.099 0.000 1.067 244 D CB 1.476 42.307 40.800 0.051 0.000 1.117 244 D HN 0.158 8.530 8.370 0.004 0.000 0.578 245 N N -2.770 116.013 118.700 0.138 0.000 2.204 245 N HA 0.098 4.930 4.740 0.152 0.000 0.219 245 N C -0.405 175.152 175.510 0.077 0.000 1.151 245 N CA 0.107 53.245 53.050 0.146 0.000 0.867 245 N CB 1.706 40.316 38.487 0.206 0.000 1.043 245 N HN 0.214 8.670 8.380 0.127 0.000 0.516 246 G N 0.587 109.415 108.800 0.046 0.000 2.796 246 G HA2 -0.257 3.716 3.960 0.022 0.000 0.571 246 G HA3 -0.257 3.769 3.960 0.014 -0.058 0.571 246 G C -2.332 172.578 174.900 0.017 0.000 1.370 246 G CA -0.501 44.613 45.100 0.023 0.000 0.856 246 G HN -0.389 8.310 8.290 0.046 -0.382 0.538 247 P HA -0.008 4.411 4.420 -0.000 0.000 0.245 247 P C -1.199 176.101 177.300 -0.001 0.000 1.212 247 P CA 0.869 63.970 63.100 0.001 0.000 0.774 247 P CB 0.086 31.784 31.700 -0.003 0.000 0.999 248 N N -0.524 118.178 118.700 0.004 0.000 2.571 248 N HA 0.274 5.014 4.740 -0.000 0.000 0.298 248 N C -0.137 175.380 175.510 0.013 0.000 1.671 248 N CA -0.436 52.617 53.050 0.005 0.000 0.900 248 N CB 0.538 39.027 38.487 0.004 0.000 1.365 248 N HN -0.122 8.195 8.380 0.009 0.068 0.493 249 E N 2.220 122.422 120.200 0.004 0.000 2.110 249 E HA -0.413 3.962 4.350 0.042 0.000 0.193 249 E C 1.422 178.018 176.600 -0.005 0.000 0.988 249 E CA 3.212 59.619 56.400 0.012 0.000 0.804 249 E CB -0.299 29.405 29.700 0.007 0.000 0.745 249 E HN 0.307 8.665 8.360 -0.004 0.000 0.458 250 E N 0.238 120.408 120.200 -0.050 0.000 2.047 250 E HA -0.193 4.100 4.350 -0.095 0.000 0.191 250 E C 1.924 178.579 176.600 0.092 0.000 0.987 250 E CA 2.732 59.109 56.400 -0.038 0.000 0.799 250 E CB -0.600 29.046 29.700 -0.089 0.000 0.752 250 E HN 0.377 8.702 8.360 -0.058 0.000 0.449 251 A N -1.727 121.134 122.820 0.068 0.000 1.902 251 A HA -0.310 4.073 4.320 0.106 0.000 0.217 251 A C 1.887 179.544 177.584 0.122 0.000 1.181 251 A CA 3.109 55.200 52.037 0.090 0.000 0.623 251 A CB -0.722 18.311 19.000 0.055 0.000 0.818 251 A HN 0.035 8.209 8.150 0.039 0.000 0.443 252 D N -1.368 119.093 120.400 0.101 0.000 2.144 252 D HA -0.269 4.455 4.640 0.140 0.000 0.200 252 D C 2.200 178.610 176.300 0.184 0.000 0.978 252 D CA 3.015 57.094 54.000 0.132 0.000 0.833 252 D CB -0.482 40.372 40.800 0.091 0.000 0.961 252 D HN -0.228 8.186 8.370 0.074 0.000 0.470 253 A N -0.047 122.868 122.820 0.158 0.000 1.877 253 A HA -0.210 4.197 4.320 0.144 0.000 0.216 253 A C 2.103 179.775 177.584 0.147 0.000 1.186 253 A CA 3.095 55.232 52.037 0.166 0.000 0.620 253 A CB -0.558 18.576 19.000 0.223 0.000 0.822 253 A HN -0.265 7.967 8.150 0.136 0.000 0.443 254 L N -2.645 118.676 121.223 0.165 0.000 2.141 254 L HA -0.396 3.976 4.340 0.053 0.000 0.209 254 L C 1.812 178.735 176.870 0.089 0.000 1.094 254 L CA 2.794 57.696 54.840 0.103 0.000 0.763 254 L CB -0.425 41.700 42.059 0.110 0.000 0.908 254 L HN -0.450 7.894 8.230 0.190 0.000 0.437 255 Y N 0.597 120.921 120.300 0.039 0.000 2.097 255 Y HA -0.438 4.127 4.550 0.025 0.000 0.282 255 Y C 1.281 177.196 175.900 0.025 0.000 1.152 255 Y CA 3.597 61.715 58.100 0.029 0.000 1.136 255 Y CB -0.142 38.335 38.460 0.029 0.000 0.975 255 Y HN -0.418 8.019 8.280 0.261 0.000 0.498 256 L N -0.809 120.397 121.223 -0.027 0.000 2.017 256 L HA -0.376 3.815 4.340 -0.247 0.000 0.208 256 L C 1.755 178.536 176.870 -0.149 0.000 1.073 256 L CA 3.091 57.861 54.840 -0.116 0.000 0.745 256 L CB -0.318 41.770 42.059 0.049 0.000 0.894 256 L HN -0.588 7.748 8.230 0.177 0.000 0.432 257 I N -1.657 118.864 120.570 -0.083 0.000 2.226 257 I HA -0.616 3.508 4.170 -0.076 0.000 0.245 257 I C 1.806 177.893 176.117 -0.049 0.000 1.100 257 I CA 4.627 65.887 61.300 -0.068 0.000 1.374 257 I CB -0.447 37.511 38.000 -0.069 0.000 1.057 257 I HN -0.232 7.953 8.210 -0.042 0.000 0.413 258 E N 0.749 120.889 120.200 -0.099 0.000 2.085 258 E HA -0.419 3.892 4.350 -0.065 0.000 0.194 258 E C 2.457 178.974 176.600 -0.138 0.000 0.994 258 E CA 3.401 59.740 56.400 -0.102 0.000 0.801 258 E CB -0.190 29.456 29.700 -0.090 0.000 0.743 258 E HN -0.393 7.905 8.360 -0.103 0.000 0.453 259 E N -1.249 118.792 120.200 -0.266 0.000 2.077 259 E HA -0.265 3.964 4.350 -0.202 0.000 0.193 259 E C 2.875 179.409 176.600 -0.111 0.000 0.989 259 E CA 2.451 58.706 56.400 -0.240 0.000 0.800 259 E CB -0.221 29.249 29.700 -0.384 0.000 0.746 259 E HN -0.505 7.635 8.360 -0.367 0.000 0.452 260 L N -1.516 119.665 121.223 -0.071 0.000 2.083 260 L HA -0.300 4.033 4.340 -0.012 0.000 0.209 260 L C 2.527 179.451 176.870 0.089 0.000 1.083 260 L CA 2.677 57.527 54.840 0.016 0.000 0.752 260 L CB -0.386 41.689 42.059 0.028 0.000 0.899 260 L HN -0.045 8.125 8.230 -0.099 0.000 0.433 261 A N -1.567 121.308 122.820 0.091 0.000 1.978 261 A HA -0.340 3.927 4.320 -0.088 0.000 0.220 261 A C 1.824 179.387 177.584 -0.035 0.000 1.170 261 A CA 3.105 55.130 52.037 -0.020 0.000 0.636 261 A CB -0.829 18.108 19.000 -0.106 0.000 0.810 261 A HN -0.049 8.129 8.150 0.075 0.016 0.448 262 K N -1.621 118.765 120.400 -0.024 0.000 2.209 262 K HA -0.276 4.035 4.320 -0.016 0.000 0.204 262 K C 1.571 178.154 176.600 -0.028 0.000 1.048 262 K CA 2.422 58.695 56.287 -0.024 0.000 0.940 262 K CB -0.209 32.272 32.500 -0.032 0.000 0.729 262 K HN -0.531 7.680 8.250 -0.029 0.021 0.451 263 R N -3.752 116.732 120.500 -0.027 0.000 2.299 263 R HA -0.003 4.320 4.340 -0.030 0.000 0.197 263 R C 0.424 176.700 176.300 -0.040 0.000 0.971 263 R CA -0.524 55.559 56.100 -0.029 0.000 1.030 263 R CB 0.126 30.410 30.300 -0.026 0.000 0.932 263 R HN -0.668 7.450 8.270 -0.020 0.140 0.477 264 G N 0.129 108.894 108.800 -0.058 0.000 2.246 264 G HA2 -0.342 3.571 3.960 -0.077 0.000 0.273 264 G HA3 -0.342 3.541 3.960 -0.128 0.000 0.273 264 G C -0.305 174.547 174.900 -0.081 0.000 1.055 264 G CA 0.434 45.480 45.100 -0.089 0.000 0.851 264 G HN -0.444 7.662 8.290 -0.059 0.149 0.500 265 I N -6.438 114.109 120.570 -0.038 0.000 2.945 265 I HA 0.276 4.598 4.170 -0.067 -0.192 0.292 265 I C 0.020 176.146 176.117 0.014 0.000 1.093 265 I CA -1.218 60.069 61.300 -0.022 0.000 1.336 265 I CB 0.792 38.788 38.000 -0.005 0.000 1.435 265 I HN -1.026 7.177 8.210 -0.011 0.000 0.593 266 A N 1.507 124.302 122.820 -0.042 0.000 1.898 266 A HA -0.181 4.151 4.320 0.021 0.000 0.216 266 A C -0.910 176.804 177.584 0.218 0.000 1.181 266 A CA 2.487 54.538 52.037 0.023 0.000 0.620 266 A CB 0.851 19.829 19.000 -0.036 0.000 0.819 266 A HN 0.059 8.139 8.150 -0.116 0.000 0.442 267 Y N -9.843 110.571 120.300 0.190 0.000 2.624 267 Y HA 0.787 5.699 4.550 0.345 -0.156 0.334 267 Y C -2.745 173.141 175.900 -0.024 0.000 1.155 267 Y CA -2.463 55.746 58.100 0.182 0.000 1.046 267 Y CB 2.668 41.174 38.460 0.077 0.000 1.316 267 Y HN -0.882 7.326 8.280 -0.119 0.000 0.457 268 L N 0.798 122.015 121.223 -0.009 0.000 2.343 268 L HA 0.555 4.727 4.340 -0.281 0.000 0.278 268 L C -0.628 176.252 176.870 0.015 0.000 0.996 268 L CA -0.538 54.103 54.840 -0.332 0.000 0.831 268 L CB 2.068 43.460 42.059 -1.112 0.000 1.232 268 L HN 0.546 8.847 8.230 0.118 0.000 0.413 269 H N 10.139 129.210 119.070 0.002 0.000 2.595 269 H HA 0.562 5.070 4.556 -0.081 0.000 0.313 269 H C -1.373 173.902 175.328 -0.088 0.000 1.023 269 H CA -1.412 54.614 56.048 -0.037 0.000 1.218 269 H CB 1.513 31.290 29.762 0.025 0.000 1.403 269 H HN 0.652 nan 8.280 nan 0.000 0.477 270 M N 7.407 127.100 119.600 0.155 0.000 2.088 270 M HA 0.302 4.939 4.480 0.010 -0.151 0.346 270 M C -1.617 174.712 176.300 0.049 0.000 1.111 270 M CA -1.743 53.602 55.300 0.075 0.000 1.017 270 M CB 0.170 32.872 32.600 0.170 0.000 1.568 270 M HN 0.255 8.648 8.290 0.171 0.000 0.445 271 S N 5.440 121.101 115.700 -0.065 0.000 2.400 271 S HA 0.120 4.626 4.470 0.060 0.000 0.295 271 S C 0.585 175.275 174.600 0.149 0.000 1.113 271 S CA -0.631 57.582 58.200 0.022 0.000 1.064 271 S CB 0.394 63.598 63.200 0.006 0.000 0.990 271 S HN 0.281 8.499 8.310 -0.153 0.000 0.502 272 E N 7.831 128.109 120.200 0.130 0.000 2.230 272 E HA -0.029 4.323 4.350 0.003 0.000 0.192 272 E C -0.234 176.543 176.600 0.295 0.000 0.987 272 E CA 1.257 57.653 56.400 -0.006 0.000 0.841 272 E CB 0.999 30.433 29.700 -0.443 0.000 0.783 272 E HN 0.090 8.517 8.360 0.113 0.000 0.481 273 T N -3.496 111.266 114.554 0.347 0.000 2.923 273 T HA 0.106 4.498 4.350 0.071 0.000 0.311 273 T C -2.066 172.760 174.700 0.209 0.000 1.183 273 T CA -1.238 60.974 62.100 0.187 0.000 1.020 273 T CB 2.080 70.981 68.868 0.056 0.000 1.165 273 T HN -0.595 7.844 8.240 0.332 0.000 0.482 274 D N 4.291 124.570 120.400 -0.202 0.000 2.361 274 D HA -0.005 4.669 4.640 0.056 0.000 0.239 274 D C 1.990 178.281 176.300 -0.016 0.000 1.200 274 D CA 0.323 54.256 54.000 -0.112 0.000 0.915 274 D CB 1.443 42.049 40.800 -0.324 0.000 1.170 274 D HN 0.193 8.242 8.370 -0.534 0.000 0.444 275 L N 0.133 121.368 121.223 0.020 0.000 2.187 275 L HA -0.229 4.151 4.340 0.066 0.000 0.213 275 L C 0.929 177.817 176.870 0.030 0.000 1.100 275 L CA 1.909 56.780 54.840 0.051 0.000 0.765 275 L CB -0.200 41.912 42.059 0.088 0.000 0.904 275 L HN 0.291 8.532 8.230 0.018 0.000 0.437 276 A N -3.947 118.873 122.820 -0.001 0.000 2.235 276 A HA 0.017 4.343 4.320 0.011 0.000 0.208 276 A C 0.351 177.919 177.584 -0.027 0.000 1.172 276 A CA 0.196 52.228 52.037 -0.008 0.000 0.786 276 A CB 0.730 19.721 19.000 -0.016 0.000 0.804 276 A HN -0.495 7.928 8.150 -0.016 -0.283 0.479 277 G N -2.082 106.692 108.800 -0.042 0.000 2.603 277 G HA2 -0.155 3.787 3.960 -0.029 0.000 0.686 277 G HA3 -0.155 3.789 3.960 -0.026 0.000 0.686 277 G C -2.017 172.834 174.900 -0.083 0.000 1.286 277 G CA -0.709 44.366 45.100 -0.042 0.000 0.871 277 G HN -0.651 7.432 8.290 -0.046 0.180 0.568 278 G N -2.755 106.012 108.800 -0.055 0.000 2.451 278 G HA2 0.155 4.069 3.960 -0.077 0.000 0.292 278 G HA3 0.155 4.077 3.960 -0.064 0.000 0.292 278 G C -2.060 172.837 174.900 -0.004 0.000 1.427 278 G CA -0.494 44.574 45.100 -0.054 0.000 0.792 278 G HN -0.271 7.999 8.290 -0.033 0.000 0.498 279 K N 1.456 121.866 120.400 0.017 0.000 2.382 279 K HA 0.178 4.511 4.320 0.023 0.000 0.275 279 K C -1.534 175.117 176.600 0.086 0.000 1.009 279 K CA -1.122 55.187 56.287 0.037 0.000 0.970 279 K CB -0.007 32.510 32.500 0.028 0.000 0.934 279 K HN 0.061 8.316 8.250 0.009 0.000 0.479 280 P HA 0.039 4.509 4.420 0.083 0.000 0.275 280 P C -1.004 176.435 177.300 0.232 0.000 1.228 280 P CA -0.338 62.827 63.100 0.107 0.000 0.786 280 P CB 0.532 32.261 31.700 0.048 0.000 0.927 281 Y N -0.455 119.882 120.300 0.062 0.000 2.620 281 Y HA -0.078 4.523 4.550 0.086 0.000 0.330 281 Y C 1.224 177.188 175.900 0.106 0.000 1.186 281 Y CA -0.750 57.420 58.100 0.117 0.000 1.467 281 Y CB 0.060 38.656 38.460 0.227 0.000 1.262 281 Y HN 0.001 8.477 8.280 0.328 0.000 0.550 282 S N 3.180 119.019 115.700 0.231 0.000 2.593 282 S HA 0.034 4.586 4.470 0.137 0.000 0.269 282 S C 0.999 175.716 174.600 0.195 0.000 1.334 282 S CA -0.859 57.442 58.200 0.169 0.000 1.015 282 S CB 1.826 65.094 63.200 0.113 0.000 0.912 282 S HN 0.244 8.657 8.310 0.172 0.000 0.541 283 E N 3.474 123.750 120.200 0.127 0.000 2.110 283 E HA -0.373 4.045 4.350 0.114 0.000 0.193 283 E C 1.436 178.092 176.600 0.094 0.000 0.988 283 E CA 3.031 59.493 56.400 0.103 0.000 0.804 283 E CB -0.286 29.454 29.700 0.067 0.000 0.745 283 E HN 0.678 9.100 8.360 0.104 0.000 0.458 284 A N -1.295 121.582 122.820 0.095 0.000 1.908 284 A HA -0.196 4.159 4.320 0.059 0.000 0.218 284 A C 1.959 179.608 177.584 0.108 0.000 1.181 284 A CA 2.648 54.736 52.037 0.085 0.000 0.627 284 A CB -1.132 17.916 19.000 0.080 0.000 0.818 284 A HN 0.090 8.297 8.150 0.094 0.000 0.445 285 F N -0.527 119.418 119.950 -0.008 0.000 2.186 285 F HA -0.310 4.191 4.527 -0.044 0.000 0.299 285 F C 1.264 177.049 175.800 -0.024 0.000 1.090 285 F CA 2.349 60.322 58.000 -0.046 0.000 1.307 285 F CB 0.287 39.212 39.000 -0.126 0.000 1.019 285 F HN -0.374 8.082 8.300 0.260 0.000 0.489 286 R N -1.420 119.071 120.500 -0.015 0.000 2.091 286 R HA -0.530 3.705 4.340 -0.175 0.000 0.238 286 R C 2.599 178.830 176.300 -0.115 0.000 1.136 286 R CA 3.965 60.020 56.100 -0.075 0.000 0.959 286 R CB -0.498 29.856 30.300 0.090 0.000 0.856 286 R HN -0.255 8.110 8.270 0.159 0.000 0.437 287 Q N -1.473 118.293 119.800 -0.057 0.000 2.084 287 Q HA -0.239 4.082 4.340 -0.033 0.000 0.202 287 Q C 2.463 178.415 176.000 -0.081 0.000 0.978 287 Q CA 2.883 58.660 55.803 -0.044 0.000 0.844 287 Q CB -0.499 28.236 28.738 -0.006 0.000 0.898 287 Q HN -0.195 8.064 8.270 -0.018 0.000 0.426 288 K N -0.900 119.426 120.400 -0.123 0.000 2.097 288 K HA -0.234 4.229 4.320 -0.069 -0.185 0.205 288 K C 2.512 178.992 176.600 -0.200 0.000 1.050 288 K CA 2.956 59.166 56.287 -0.129 0.000 0.938 288 K CB -0.091 32.352 32.500 -0.095 0.000 0.718 288 K HN -0.531 7.647 8.250 -0.120 0.000 0.442 289 V N -1.659 118.036 119.914 -0.364 0.000 2.307 289 V HA -0.378 3.570 4.120 -0.287 0.000 0.245 289 V C 2.219 178.230 176.094 -0.139 0.000 1.045 289 V CA 3.359 65.469 62.300 -0.316 0.000 1.024 289 V CB -0.471 31.088 31.823 -0.441 0.000 0.651 289 V HN -0.218 7.685 8.190 -0.479 0.000 0.449 290 R N 0.046 120.485 120.500 -0.102 0.000 2.096 290 R HA -0.240 4.100 4.340 -0.001 0.000 0.235 290 R C 2.134 178.427 176.300 -0.013 0.000 1.127 290 R CA 2.267 58.350 56.100 -0.029 0.000 0.968 290 R CB -0.355 29.935 30.300 -0.016 0.000 0.861 290 R HN -0.315 7.877 8.270 -0.130 0.000 0.440 291 E N -3.406 116.781 120.200 -0.022 0.000 2.427 291 E HA -0.059 4.327 4.350 0.060 0.000 0.196 291 E C 1.155 177.759 176.600 0.007 0.000 1.028 291 E CA 1.896 58.309 56.400 0.021 0.000 0.864 291 E CB -0.451 29.262 29.700 0.022 0.000 0.813 291 E HN -0.319 8.016 8.360 -0.042 0.000 0.514 292 R N -2.914 117.532 120.500 -0.090 0.000 2.308 292 R HA 0.071 4.344 4.340 -0.111 0.000 0.202 292 R C -1.188 174.886 176.300 -0.378 0.000 0.898 292 R CA 0.342 56.348 56.100 -0.156 0.000 1.046 292 R CB 1.775 32.028 30.300 -0.077 0.000 1.026 292 R HN -0.657 7.398 8.270 -0.082 0.166 0.512 293 F N -1.284 118.323 119.950 -0.571 0.000 2.529 293 F HA 0.230 4.391 4.527 -0.611 0.000 0.320 293 F C -1.139 174.341 175.800 -0.534 0.000 1.118 293 F CA -0.727 56.946 58.000 -0.545 0.000 0.915 293 F CB 2.014 40.864 39.000 -0.249 0.000 1.161 293 F HN -0.781 7.385 8.300 -0.223 0.000 0.445 294 H N 4.582 123.196 119.070 -0.759 0.000 2.592 294 H HA 0.285 4.690 4.556 -0.251 0.000 0.279 294 H C 0.279 175.334 175.328 -0.455 0.000 1.089 294 H CA -0.819 54.969 56.048 -0.433 0.000 1.150 294 H CB 0.741 30.318 29.762 -0.309 0.000 1.575 294 H HN 0.200 nan 8.280 nan 0.000 0.547 295 G N -0.937 107.434 108.800 -0.715 0.000 2.702 295 G HA2 0.208 4.069 3.960 -0.164 0.000 0.254 295 G HA3 0.208 4.101 3.960 -0.112 0.000 0.254 295 G C -1.510 173.511 174.900 0.202 0.000 1.380 295 G CA -0.772 44.218 45.100 -0.183 0.000 1.042 295 G HN -0.564 6.756 8.290 -1.616 0.000 0.557 296 V N 0.325 120.412 119.914 0.289 0.000 2.637 296 V HA -0.151 4.234 4.120 0.143 -0.179 0.296 296 V C -0.554 175.699 176.094 0.264 0.000 1.046 296 V CA 1.126 63.561 62.300 0.225 0.000 1.066 296 V CB 0.392 32.320 31.823 0.176 0.000 0.968 296 V HN -0.451 7.903 8.190 0.273 0.000 0.483 297 I N 6.831 127.462 120.570 0.103 0.000 2.378 297 I HA 0.536 4.903 4.170 -0.006 -0.200 0.291 297 I C -0.692 175.347 176.117 -0.129 0.000 0.992 297 I CA -1.072 60.229 61.300 0.002 0.000 1.154 297 I CB 2.000 40.006 38.000 0.010 0.000 1.315 297 I HN 0.242 8.823 8.210 0.065 -0.332 0.448 298 I N 6.650 127.105 120.570 -0.191 0.000 2.354 298 I HA 0.566 4.657 4.170 -0.457 -0.196 0.292 298 I C -0.669 175.281 176.117 -0.279 0.000 0.989 298 I CA -1.714 59.354 61.300 -0.388 0.000 1.188 298 I CB 2.007 39.622 38.000 -0.643 0.000 1.342 298 I HN 0.555 8.688 8.210 -0.128 0.000 0.457 299 G N 5.081 113.649 108.800 -0.387 0.000 2.389 299 G HA2 0.776 4.522 3.960 -0.356 0.000 0.317 299 G HA3 0.776 4.657 3.960 -0.131 0.000 0.317 299 G C -2.817 171.725 174.900 -0.598 0.000 1.137 299 G CA -1.734 43.154 45.100 -0.353 0.000 0.870 299 G HN 0.224 8.223 8.290 -0.486 0.000 0.496 300 A N 0.633 123.319 122.820 -0.223 0.000 2.594 300 A HA 0.718 4.810 4.320 -0.381 0.000 0.295 300 A C -2.139 175.553 177.584 0.180 0.000 1.071 300 A CA -1.118 50.850 52.037 -0.115 0.000 0.685 300 A CB 3.387 22.450 19.000 0.105 0.000 1.285 300 A HN -0.379 7.750 8.150 -0.035 0.000 0.405 301 G N -1.426 107.516 108.800 0.236 0.000 2.673 301 G HA2 -0.240 3.830 3.960 0.183 0.000 0.566 301 G HA3 -0.240 3.826 3.960 0.177 0.000 0.566 301 G C -0.988 174.033 174.900 0.202 0.000 1.170 301 G CA -0.180 45.045 45.100 0.208 0.000 1.242 301 G HN 0.260 8.664 8.290 0.191 0.000 0.568 302 A N 1.646 124.576 122.820 0.182 0.000 2.832 302 A HA -0.369 4.048 4.320 0.162 0.000 0.280 302 A C -1.130 176.545 177.584 0.152 0.000 1.464 302 A CA 1.039 53.163 52.037 0.144 0.000 0.804 302 A CB -0.852 18.191 19.000 0.071 0.000 1.020 302 A HN -0.017 8.242 8.150 0.182 0.000 0.563 303 Y N -2.996 117.328 120.300 0.040 0.000 2.480 303 Y HA -0.109 4.451 4.550 0.017 0.000 0.338 303 Y C 0.717 176.752 175.900 0.226 0.000 1.220 303 Y CA 0.814 58.940 58.100 0.044 0.000 1.430 303 Y CB 0.734 39.100 38.460 -0.155 0.000 1.311 303 Y HN -0.196 8.300 8.280 0.413 0.032 0.575 304 T N -1.435 113.290 114.554 0.285 0.000 2.944 304 T HA 0.166 4.699 4.350 0.305 0.000 0.284 304 T C 0.258 175.167 174.700 0.348 0.000 1.010 304 T CA -2.645 59.623 62.100 0.279 0.000 1.025 304 T CB 3.283 72.221 68.868 0.116 0.000 1.079 304 T HN -0.375 7.946 8.240 0.135 0.000 0.516 305 A N 1.735 124.707 122.820 0.252 0.000 1.940 305 A HA -0.353 4.170 4.320 0.338 0.000 0.219 305 A C 2.029 179.697 177.584 0.141 0.000 1.176 305 A CA 3.352 55.519 52.037 0.217 0.000 0.631 305 A CB -0.648 18.414 19.000 0.103 0.000 0.814 305 A HN 0.751 8.997 8.150 0.160 0.000 0.446 306 E N -1.523 118.736 120.200 0.099 0.000 2.077 306 E HA -0.304 4.079 4.350 0.055 0.000 0.193 306 E C 2.407 179.039 176.600 0.052 0.000 0.989 306 E CA 3.232 59.668 56.400 0.061 0.000 0.800 306 E CB -0.795 28.929 29.700 0.041 0.000 0.746 306 E HN 0.281 8.685 8.360 0.095 0.012 0.452 307 K N -0.258 120.173 120.400 0.052 0.000 2.057 307 K HA -0.310 3.997 4.320 -0.022 0.000 0.207 307 K C 1.975 178.627 176.600 0.085 0.000 1.049 307 K CA 2.905 59.193 56.287 0.000 0.000 0.931 307 K CB 0.011 32.419 32.500 -0.154 0.000 0.714 307 K HN -0.373 7.916 8.250 0.065 0.000 0.440 308 A N -0.942 122.004 122.820 0.211 0.000 1.883 308 A HA -0.303 4.168 4.320 0.251 0.000 0.217 308 A C 2.302 179.915 177.584 0.047 0.000 1.186 308 A CA 3.343 55.484 52.037 0.174 0.000 0.624 308 A CB -1.039 18.025 19.000 0.106 0.000 0.822 308 A HN -0.259 8.037 8.150 0.244 0.000 0.444 309 E N -2.252 117.967 120.200 0.031 0.000 2.085 309 E HA -0.396 3.935 4.350 -0.033 0.000 0.194 309 E C 2.442 179.046 176.600 0.005 0.000 0.994 309 E CA 3.016 59.414 56.400 -0.003 0.000 0.801 309 E CB -0.423 29.280 29.700 0.005 0.000 0.743 309 E HN -0.294 8.099 8.360 0.055 0.000 0.453 310 D N 0.422 120.833 120.400 0.018 0.000 2.092 310 D HA -0.227 4.419 4.640 0.010 0.000 0.193 310 D C 2.419 178.727 176.300 0.014 0.000 0.994 310 D CA 3.237 57.245 54.000 0.013 0.000 0.828 310 D CB 0.097 40.903 40.800 0.008 0.000 0.963 310 D HN -0.464 7.921 8.370 0.026 0.000 0.450 311 L N -1.704 119.536 121.223 0.027 0.000 2.156 311 L HA -0.265 4.091 4.340 0.028 0.000 0.208 311 L C 2.115 178.990 176.870 0.008 0.000 1.095 311 L CA 2.869 57.729 54.840 0.032 0.000 0.770 311 L CB 0.086 42.190 42.059 0.074 0.000 0.914 311 L HN -0.473 7.780 8.230 0.039 0.000 0.439 312 I N -0.386 120.177 120.570 -0.013 0.000 2.226 312 I HA -0.285 4.060 4.170 -0.048 -0.204 0.245 312 I C 3.393 179.494 176.117 -0.027 0.000 1.100 312 I CA 3.590 64.865 61.300 -0.043 0.000 1.374 312 I CB -0.168 37.782 38.000 -0.083 0.000 1.057 312 I HN 0.139 8.345 8.210 -0.006 0.000 0.413 313 G N -0.624 108.166 108.800 -0.017 0.000 2.422 313 G HA2 -0.252 3.705 3.960 -0.005 0.000 0.218 313 G HA3 -0.252 3.700 3.960 -0.012 0.000 0.218 313 G C 0.466 175.364 174.900 -0.003 0.000 1.140 313 G CA 1.488 46.582 45.100 -0.009 0.000 0.775 313 G HN -0.081 8.200 8.290 -0.015 0.000 0.545 314 K N -0.697 119.704 120.400 0.002 0.000 2.486 314 K HA -0.075 4.249 4.320 0.006 0.000 0.194 314 K C -0.032 176.571 176.600 0.005 0.000 1.033 314 K CA -0.106 56.184 56.287 0.006 0.000 1.004 314 K CB 0.214 32.722 32.500 0.013 0.000 0.798 314 K HN -0.605 7.624 8.250 0.002 0.022 0.495 315 G N -1.751 107.049 108.800 -0.001 0.000 2.147 315 G HA2 -0.356 3.604 3.960 0.000 0.000 0.244 315 G HA3 -0.356 3.599 3.960 -0.008 0.000 0.244 315 G C -0.118 174.783 174.900 0.002 0.000 1.005 315 G CA 0.960 46.058 45.100 -0.002 0.000 0.713 315 G HN -0.493 7.612 8.290 -0.005 0.183 0.515 316 L N -2.628 118.598 121.223 0.005 0.000 2.298 316 L HA 0.049 4.395 4.340 0.010 0.000 0.209 316 L C -0.833 176.041 176.870 0.007 0.000 1.084 316 L CA 0.718 55.565 54.840 0.012 0.000 0.816 316 L CB 0.685 42.762 42.059 0.029 0.000 0.967 316 L HN -0.490 7.743 8.230 0.004 0.000 0.460 317 I N -10.452 110.112 120.570 -0.011 0.000 3.042 317 I HA 0.212 4.360 4.170 -0.037 0.000 0.310 317 I C -1.777 174.289 176.117 -0.084 0.000 1.117 317 I CA -1.838 59.433 61.300 -0.048 0.000 1.003 317 I CB 3.332 41.291 38.000 -0.068 0.000 1.228 317 I HN -1.081 7.123 8.210 -0.011 0.000 0.443 318 D N 0.790 121.112 120.400 -0.129 0.000 2.422 318 D HA 0.160 4.728 4.640 -0.119 0.000 0.218 318 D C -0.416 175.712 176.300 -0.287 0.000 1.047 318 D CA 1.420 55.327 54.000 -0.155 0.000 0.885 318 D CB 2.873 43.613 40.800 -0.100 0.000 1.035 318 D HN 0.190 8.477 8.370 -0.138 0.000 0.502 319 A N -3.554 119.006 122.820 -0.433 0.000 2.609 319 A HA 0.315 4.260 4.320 -0.625 0.000 0.291 319 A C -2.828 174.311 177.584 -0.742 0.000 1.096 319 A CA -0.800 50.800 52.037 -0.729 0.000 0.684 319 A CB 3.301 21.487 19.000 -1.357 0.000 1.282 319 A HN -0.711 7.208 8.150 -0.384 0.000 0.412 320 V N -0.756 118.663 119.914 -0.825 0.000 2.656 320 V HA 0.683 4.409 4.120 -0.966 -0.185 0.307 320 V C -1.867 173.742 176.094 -0.808 0.000 1.051 320 V CA -1.629 60.117 62.300 -0.922 0.000 0.893 320 V CB 4.479 35.678 31.823 -1.040 0.000 0.999 320 V HN -0.097 7.603 8.190 -0.817 0.000 0.426 321 A N 5.324 127.723 122.820 -0.701 0.000 2.276 321 A HA 0.588 5.003 4.320 -0.158 -0.189 0.316 321 A C -1.639 175.736 177.584 -0.347 0.000 1.229 321 A CA -1.948 49.889 52.037 -0.334 0.000 0.851 321 A CB 1.705 20.602 19.000 -0.171 0.000 1.165 321 A HN 0.373 8.074 8.150 -0.747 0.000 0.513 322 F N 3.143 123.149 119.950 0.093 0.000 2.420 322 F HA 0.245 4.818 4.527 0.076 0.000 0.342 322 F C 0.094 175.996 175.800 0.170 0.000 1.113 322 F CA -0.414 57.657 58.000 0.119 0.000 1.059 322 F CB 2.004 41.059 39.000 0.092 0.000 1.128 322 F HN 0.269 8.739 8.300 0.284 0.000 0.475 323 G N 2.652 111.614 108.800 0.270 0.000 2.680 323 G HA2 -0.078 3.945 3.960 0.106 0.000 0.224 323 G HA3 -0.078 3.974 3.960 0.154 0.000 0.224 323 G C 0.792 175.740 174.900 0.081 0.000 1.454 323 G CA 1.115 46.306 45.100 0.152 0.000 0.900 323 G HN 0.379 8.826 8.290 0.262 0.000 0.570 324 R N -0.079 120.435 120.500 0.023 0.000 2.120 324 R HA -0.171 4.029 4.340 -0.234 0.000 0.234 324 R C 1.844 178.115 176.300 -0.049 0.000 1.123 324 R CA 3.618 59.672 56.100 -0.075 0.000 0.975 324 R CB -0.286 30.026 30.300 0.020 0.000 0.866 324 R HN 0.378 8.686 8.270 0.064 0.000 0.446 325 D N -2.457 117.939 120.400 -0.006 0.000 2.178 325 D HA -0.183 4.379 4.640 -0.130 0.000 0.201 325 D C 1.574 177.751 176.300 -0.205 0.000 0.980 325 D CA 3.461 57.384 54.000 -0.127 0.000 0.842 325 D CB -0.567 40.103 40.800 -0.217 0.000 0.948 325 D HN 0.409 8.817 8.370 0.063 0.000 0.472 326 Y N -0.231 120.015 120.300 -0.090 0.000 2.337 326 Y HA -0.191 4.280 4.550 -0.131 0.000 0.293 326 Y C 2.373 178.162 175.900 -0.185 0.000 1.123 326 Y CA 2.605 60.636 58.100 -0.116 0.000 1.201 326 Y CB -0.103 38.331 38.460 -0.043 0.000 1.011 326 Y HN -0.742 7.496 8.280 0.106 0.105 0.545 327 I N -1.392 119.146 120.570 -0.053 0.000 2.151 327 I HA -0.533 3.639 4.170 0.003 0.000 0.243 327 I C 0.783 176.598 176.117 -0.505 0.000 1.080 327 I CA 4.213 65.418 61.300 -0.159 0.000 1.339 327 I CB 0.028 37.855 38.000 -0.288 0.000 1.039 327 I HN -0.591 7.508 8.210 -0.049 0.081 0.409 328 A N -5.854 116.579 122.820 -0.646 0.000 2.195 328 A HA -0.055 2.665 4.320 -2.667 0.000 0.210 328 A C -0.914 176.340 177.584 -0.551 0.000 1.165 328 A CA 0.416 51.757 52.037 -1.159 0.000 0.806 328 A CB 1.414 20.072 19.000 -0.571 0.000 0.847 328 A HN -0.718 7.175 8.150 -0.404 0.015 0.482 329 N N -2.620 115.889 118.700 -0.319 0.000 2.648 329 N HA 0.493 5.154 4.740 -0.133 0.000 0.261 329 N C -1.913 173.509 175.510 -0.146 0.000 1.138 329 N CA -2.078 50.850 53.050 -0.203 0.000 0.804 329 N CB 1.743 40.078 38.487 -0.254 0.000 1.237 329 N HN -0.790 7.354 8.380 -0.309 0.050 0.532 330 P HA -0.134 4.320 4.420 0.057 0.000 0.217 330 P C -0.937 176.393 177.300 0.050 0.000 1.150 330 P CA 1.998 65.108 63.100 0.017 0.000 0.832 330 P CB 0.429 32.127 31.700 -0.003 0.000 0.787 331 D N -4.082 116.306 120.400 -0.020 0.000 2.889 331 D HA 0.014 4.665 4.640 0.017 0.000 0.243 331 D C 0.450 176.688 176.300 -0.104 0.000 1.270 331 D CA -2.516 51.468 54.000 -0.027 0.000 0.838 331 D CB -1.376 39.410 40.800 -0.024 0.000 1.040 331 D HN -0.100 8.226 8.370 -0.037 0.021 0.480 332 L N 1.612 122.687 121.223 -0.246 0.000 2.043 332 L HA -0.347 3.790 4.340 -0.340 0.000 0.212 332 L C 0.644 177.389 176.870 -0.208 0.000 1.075 332 L CA 3.198 57.800 54.840 -0.398 0.000 0.752 332 L CB -0.086 41.403 42.059 -0.950 0.000 0.891 332 L HN -0.807 7.182 8.230 -0.265 0.082 0.432 333 V N -1.195 118.686 119.914 -0.055 0.000 2.255 333 V HA -0.537 3.694 4.120 0.184 0.000 0.247 333 V C 1.764 177.858 176.094 0.000 0.000 1.051 333 V CA 4.023 66.381 62.300 0.097 0.000 1.018 333 V CB -1.377 30.552 31.823 0.176 0.000 0.641 333 V HN -0.126 8.036 8.190 -0.027 0.012 0.445 334 A N -1.245 121.545 122.820 -0.050 0.000 1.933 334 A HA -0.291 3.941 4.320 -0.147 0.000 0.218 334 A C 2.432 179.942 177.584 -0.124 0.000 1.175 334 A CA 2.946 54.920 52.037 -0.105 0.000 0.628 334 A CB -0.562 18.396 19.000 -0.070 0.000 0.814 334 A HN -0.300 7.833 8.150 -0.028 0.000 0.444 335 R N -1.932 118.505 120.500 -0.106 0.000 2.081 335 R HA -0.333 3.950 4.340 -0.095 0.000 0.235 335 R C 2.699 178.940 176.300 -0.099 0.000 1.131 335 R CA 3.458 59.494 56.100 -0.105 0.000 0.960 335 R CB -0.078 30.152 30.300 -0.117 0.000 0.856 335 R HN -0.530 7.678 8.270 -0.104 0.000 0.436 336 L N -2.279 118.900 121.223 -0.075 0.000 2.093 336 L HA -0.226 4.110 4.340 -0.006 0.000 0.208 336 L C 2.258 179.130 176.870 0.003 0.000 1.085 336 L CA 2.623 57.479 54.840 0.027 0.000 0.755 336 L CB -0.311 41.835 42.059 0.146 0.000 0.904 336 L HN -0.021 8.161 8.230 -0.080 0.000 0.435 337 Q N -2.085 117.527 119.800 -0.314 0.000 2.079 337 Q HA -0.300 3.393 4.340 -1.077 0.000 0.200 337 Q C 1.231 177.036 176.000 -0.325 0.000 0.974 337 Q CA 2.747 58.096 55.803 -0.757 0.000 0.840 337 Q CB 0.425 28.546 28.738 -1.028 0.000 0.898 337 Q HN -0.280 7.830 8.270 -0.266 0.000 0.430 338 K N -4.835 115.443 120.400 -0.203 0.000 2.426 338 K HA -0.034 4.212 4.320 -0.123 0.000 0.193 338 K C -0.265 176.289 176.600 -0.077 0.000 1.028 338 K CA 0.182 56.395 56.287 -0.123 0.000 1.047 338 K CB 0.491 32.928 32.500 -0.104 0.000 0.821 338 K HN -0.533 7.597 8.250 -0.200 0.000 0.513 339 K N -4.673 115.689 120.400 -0.063 0.000 3.117 339 K HA -0.410 3.894 4.320 -0.026 0.000 0.269 339 K C -0.891 175.685 176.600 -0.039 0.000 1.098 339 K CA 0.604 56.870 56.287 -0.035 0.000 0.785 339 K CB -2.944 29.544 32.500 -0.020 0.000 1.242 339 K HN -0.412 7.734 8.250 -0.074 0.060 0.491 340 A N -1.533 121.257 122.820 -0.051 0.000 2.332 340 A HA 0.041 4.338 4.320 -0.038 0.000 0.258 340 A C -0.137 177.420 177.584 -0.044 0.000 1.087 340 A CA -0.051 51.958 52.037 -0.046 0.000 0.802 340 A CB 0.885 19.853 19.000 -0.053 0.000 1.042 340 A HN -0.505 7.582 8.150 -0.062 0.026 0.489 341 E N -0.153 120.027 120.200 -0.034 0.000 2.418 341 E HA -0.095 4.236 4.350 -0.030 0.000 0.261 341 E C -0.674 175.902 176.600 -0.040 0.000 1.070 341 E CA -0.002 56.380 56.400 -0.030 0.000 0.931 341 E CB 0.842 30.532 29.700 -0.017 0.000 0.954 341 E HN 0.157 8.500 8.360 -0.029 0.000 0.439 342 L N 2.358 123.557 121.223 -0.041 0.000 2.360 342 L HA 0.099 4.496 4.340 -0.066 -0.097 0.271 342 L C 0.480 177.343 176.870 -0.012 0.000 1.057 342 L CA -1.024 53.786 54.840 -0.051 0.000 0.803 342 L CB 0.994 43.008 42.059 -0.076 0.000 1.207 342 L HN 0.083 8.292 8.230 -0.036 0.000 0.445 343 N N 2.967 121.670 118.700 0.005 0.000 2.441 343 N HA 0.076 4.861 4.740 0.074 0.000 0.251 343 N C -2.193 173.371 175.510 0.089 0.000 1.242 343 N CA -0.807 52.289 53.050 0.076 0.000 0.898 343 N CB -0.311 38.276 38.487 0.167 0.000 1.100 343 N HN -0.180 8.517 8.380 -0.018 -0.327 0.443 344 P HA 0.068 4.541 4.420 0.088 0.000 0.275 344 P C -1.015 176.417 177.300 0.220 0.000 1.227 344 P CA -0.256 62.918 63.100 0.122 0.000 0.781 344 P CB 0.565 32.319 31.700 0.091 0.000 0.906 345 Q N 1.034 120.946 119.800 0.186 0.000 2.340 345 Q HA -0.073 4.491 4.340 0.372 0.000 0.249 345 Q C 0.302 176.434 176.000 0.219 0.000 0.957 345 Q CA 0.468 56.437 55.803 0.276 0.000 0.882 345 Q CB 0.978 29.874 28.738 0.264 0.000 1.235 345 Q HN 0.143 8.493 8.270 0.134 0.000 0.439 346 R N 3.193 123.861 120.500 0.280 0.000 2.477 346 R HA 0.566 4.962 4.340 -0.010 -0.062 0.285 346 R C -1.478 174.681 176.300 -0.236 0.000 1.415 346 R CA -2.637 53.493 56.100 0.050 0.000 1.446 346 R CB -0.384 29.953 30.300 0.062 0.000 1.110 346 R HN -0.025 8.556 8.270 0.518 0.000 0.590 347 P HA -0.216 2.310 4.420 -3.157 0.000 0.222 347 P C 1.017 177.880 177.300 -0.729 0.000 1.147 347 P CA 2.060 64.318 63.100 -1.402 0.000 0.790 347 P CB 0.168 31.351 31.700 -0.863 0.000 0.780 348 E N -2.759 117.254 120.200 -0.312 0.000 2.265 348 E HA -0.197 4.089 4.350 -0.106 0.000 0.196 348 E C 0.696 177.259 176.600 -0.061 0.000 0.996 348 E CA 2.278 58.599 56.400 -0.133 0.000 0.832 348 E CB -1.135 28.521 29.700 -0.073 0.000 0.756 348 E HN 0.528 8.690 8.360 -0.269 0.036 0.491 349 S N -2.983 112.686 115.700 -0.052 0.000 2.575 349 S HA 0.263 4.761 4.470 0.047 0.000 0.237 349 S C 0.168 174.872 174.600 0.174 0.000 0.975 349 S CA -0.732 57.501 58.200 0.056 0.000 0.960 349 S CB -0.417 62.817 63.200 0.056 0.000 0.822 349 S HN -0.623 7.578 8.310 -0.105 0.045 0.472 350 F N 0.419 120.312 119.950 -0.094 0.000 2.134 350 F HA -0.176 4.241 4.527 -0.184 0.000 0.299 350 F C 0.490 176.032 175.800 -0.429 0.000 1.097 350 F CA 0.837 58.649 58.000 -0.313 0.000 1.264 350 F CB 0.453 39.127 39.000 -0.544 0.000 1.001 350 F HN -0.776 7.356 8.300 -0.005 0.164 0.479 351 Y N -3.348 117.071 120.300 0.199 0.000 2.352 351 Y HA 0.130 4.849 4.550 0.053 -0.138 0.339 351 Y C 0.817 176.731 175.900 0.023 0.000 0.992 351 Y CA -0.581 57.571 58.100 0.086 0.000 1.100 351 Y CB 1.559 40.085 38.460 0.111 0.000 1.192 351 Y HN -0.825 7.529 8.280 0.123 0.000 0.458 352 G N 3.558 112.424 108.800 0.110 0.000 2.741 352 G HA2 -0.349 3.646 3.960 0.059 0.000 0.222 352 G HA3 -0.349 3.813 3.960 -0.008 -0.207 0.222 352 G C -1.167 173.706 174.900 -0.044 0.000 1.364 352 G CA -0.205 44.909 45.100 0.024 0.000 0.866 352 G HN 0.368 8.711 8.290 0.088 0.000 0.555 353 G N 0.438 109.211 108.800 -0.044 0.000 2.512 353 G HA2 -0.333 3.601 3.960 -0.043 0.000 0.240 353 G HA3 -0.333 3.605 3.960 -0.035 0.000 0.240 353 G C -1.741 173.099 174.900 -0.100 0.000 1.246 353 G CA 0.253 45.321 45.100 -0.054 0.000 0.919 353 G HN 0.184 8.457 8.290 -0.029 0.000 0.577 354 G N -1.275 107.474 108.800 -0.085 0.000 3.214 354 G HA2 0.226 4.162 3.960 -0.039 0.000 0.188 354 G HA3 0.226 4.120 3.960 -0.110 0.000 0.188 354 G C -0.586 174.302 174.900 -0.020 0.000 1.126 354 G CA -0.071 44.985 45.100 -0.073 0.000 0.796 354 G HN -0.012 8.242 8.290 -0.060 0.000 0.631 355 A N 0.018 122.867 122.820 0.049 0.000 1.972 355 A HA -0.123 4.336 4.320 0.232 0.000 0.219 355 A C 0.317 177.966 177.584 0.109 0.000 1.169 355 A CA 2.033 54.146 52.037 0.127 0.000 0.635 355 A CB -0.029 19.022 19.000 0.084 0.000 0.810 355 A HN 0.204 8.372 8.150 0.030 0.000 0.446 356 E N -2.021 118.203 120.200 0.041 0.000 2.366 356 E HA -0.325 4.184 4.350 -0.018 -0.170 0.266 356 E C 0.791 177.402 176.600 0.019 0.000 1.015 356 E CA 0.174 56.575 56.400 0.002 0.000 0.906 356 E CB -0.233 29.456 29.700 -0.019 0.000 0.979 356 E HN -0.232 8.119 8.360 0.025 0.025 0.443 357 G N 5.696 114.467 108.800 -0.049 0.000 2.153 357 G HA2 -0.328 3.670 3.960 0.063 0.000 0.252 357 G HA3 -0.328 3.483 3.960 -0.248 0.000 0.252 357 G C -1.411 173.677 174.900 0.313 0.000 0.994 357 G CA 0.996 46.098 45.100 0.002 0.000 0.698 357 G HN 0.108 8.754 8.290 -0.132 -0.435 0.521 358 Y N -0.854 119.507 120.300 0.101 0.000 3.208 358 Y HA 0.185 4.826 4.550 0.151 0.000 0.205 358 Y C -0.780 175.267 175.900 0.244 0.000 0.923 358 Y CA 0.952 59.123 58.100 0.118 0.000 1.596 358 Y CB 2.309 40.736 38.460 -0.055 0.000 1.478 358 Y HN -0.465 8.012 8.280 0.212 -0.070 0.409 359 T N -3.878 110.763 114.554 0.146 0.000 3.092 359 T HA 0.191 4.717 4.350 0.049 -0.146 0.258 359 T C 0.418 175.169 174.700 0.086 0.000 1.031 359 T CA -0.506 61.636 62.100 0.071 0.000 0.925 359 T CB 1.883 70.781 68.868 0.050 0.000 1.036 359 T HN -0.489 7.879 8.240 0.214 0.000 0.544 360 D N -0.270 120.170 120.400 0.067 0.000 2.402 360 D HA -0.028 4.622 4.640 0.017 0.000 0.216 360 D C -0.730 175.550 176.300 -0.034 0.000 1.128 360 D CA -0.730 53.266 54.000 -0.008 0.000 0.833 360 D CB -0.395 40.367 40.800 -0.062 0.000 0.971 360 D HN -0.132 8.223 8.370 0.076 0.061 0.503 361 Y N 1.356 121.679 120.300 0.039 0.000 2.393 361 Y HA 0.085 4.654 4.550 0.031 0.000 0.338 361 Y C -1.583 174.324 175.900 0.012 0.000 1.029 361 Y CA -2.681 55.438 58.100 0.030 0.000 1.239 361 Y CB 0.331 38.816 38.460 0.041 0.000 1.170 361 Y HN -0.580 7.816 8.280 0.287 0.056 0.515 362 P HA 0.047 4.506 4.420 0.064 0.000 0.277 362 P C -1.295 176.040 177.300 0.059 0.000 1.240 362 P CA -0.571 62.575 63.100 0.076 0.000 0.798 362 P CB 1.143 32.872 31.700 0.048 0.000 0.979 363 S N 0.211 115.930 115.700 0.033 0.000 2.632 363 S HA -0.041 4.614 4.470 0.006 -0.182 0.267 363 S C 0.510 175.112 174.600 0.005 0.000 1.276 363 S CA -0.159 58.047 58.200 0.011 0.000 0.998 363 S CB 0.588 63.792 63.200 0.006 0.000 0.953 363 S HN -0.106 8.224 8.310 0.032 0.000 0.547 364 L N 0.000 121.218 121.223 -0.009 0.000 2.949 364 L HA 0.000 4.334 4.340 -0.010 0.000 0.249 364 L CA 0.000 54.833 54.840 -0.012 0.000 0.813 364 L CB 0.000 42.044 42.059 -0.025 0.000 0.961 364 L HN 0.000 8.582 8.230 -0.015 -0.361 0.502