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 1zw5_1_A DATA FIRST_RESID 27 DATA SEQUENCE EKQDFVQHFS QIVRVLTEDE XXHPEIGDAI ARLKEVLEYN AIGGKYNRGL DATA SEQUENCE TVVVAFRELV EPRKQDADSL QRAWTVGWCV ELLQAFFLVA DDIMDSSLTR DATA SEQUENCE RGQICWYQKP GVGLDAINDA NLLEACIYRL LKLYCREQPY YLNLIELFLQ DATA SEQUENCE SSYQTEIGQT LDLLTAPQGN VDLVRFTEKR YKSIVKYKTA FYSFYLPIAA DATA SEQUENCE AMYMAGIDGE KEHANAKKIL LEMGEFFQIQ DDYLDLFGDP SVTGKIGTDI DATA SEQUENCE QDNKCSWLVV QCLQRATPEQ YQILKENYGQ KEAEKVARVK ALYEELDLPA DATA SEQUENCE VFLQYEEDSY SHIMALIEQY AAPLPPAVFL GLARKIYKRR K 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 27 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 27 E C 0.000 176.715 176.600 0.191 0.000 1.382 27 E CA 0.000 56.501 56.400 0.168 0.000 0.976 27 E CB 0.000 29.771 29.700 0.119 0.000 0.812 28 K N 1.381 121.864 120.400 0.137 0.000 2.059 28 K HA -0.310 4.023 4.320 0.022 0.000 0.212 28 K C 2.666 179.317 176.600 0.085 0.000 1.050 28 K CA 3.503 59.869 56.287 0.132 0.000 0.927 28 K CB -0.294 32.281 32.500 0.125 0.000 0.714 28 K HN 0.295 8.545 8.250 -0.000 0.000 0.447 29 Q N 1.052 120.888 119.800 0.059 0.000 2.124 29 Q HA -0.208 4.145 4.340 0.022 0.000 0.202 29 Q C 1.738 177.713 176.000 -0.041 0.000 0.977 29 Q CA 2.027 57.833 55.803 0.005 0.000 0.850 29 Q CB -0.672 28.075 28.738 0.015 0.000 0.901 29 Q HN 0.553 8.823 8.270 -0.000 0.000 0.429 30 D N -0.798 119.606 120.400 0.007 0.000 2.097 30 D HA -0.076 4.577 4.640 0.022 0.000 0.197 30 D C 1.746 177.889 176.300 -0.261 0.000 0.984 30 D CA 1.280 55.234 54.000 -0.077 0.000 0.826 30 D CB -0.418 40.465 40.800 0.138 0.000 0.973 30 D HN 0.502 8.872 8.370 -0.000 0.000 0.460 31 F N 2.325 122.110 119.950 -0.276 0.000 2.069 31 F HA -0.234 4.305 4.527 0.020 0.000 0.298 31 F C 2.244 178.003 175.800 -0.069 0.000 1.113 31 F CA 1.128 58.971 58.000 -0.261 0.000 1.214 31 F CB -0.516 38.453 39.000 -0.053 0.000 0.978 31 F HN -0.241 8.059 8.300 -0.000 0.000 0.474 32 V N 0.429 120.166 119.914 -0.296 0.000 2.407 32 V HA -0.299 3.834 4.120 0.022 0.000 0.248 32 V C 2.296 178.306 176.094 -0.140 0.000 1.055 32 V CA 2.099 64.214 62.300 -0.309 0.000 1.049 32 V CB -0.873 30.750 31.823 -0.334 0.000 0.662 32 V HN 0.419 8.609 8.190 -0.000 0.000 0.455 33 Q N -0.748 118.925 119.800 -0.212 0.000 2.291 33 Q HA -0.199 4.154 4.340 0.022 0.000 0.205 33 Q C 2.026 177.791 176.000 -0.392 0.000 0.970 33 Q CA 1.313 56.953 55.803 -0.273 0.000 0.876 33 Q CB -0.174 28.375 28.738 -0.314 0.000 0.935 33 Q HN 0.772 9.042 8.270 -0.000 0.000 0.455 34 H N -1.233 117.646 119.070 -0.318 0.000 2.521 34 H HA -0.095 4.474 4.556 0.023 0.000 0.286 34 H C 1.304 176.419 175.328 -0.355 0.000 1.034 34 H CA 0.729 56.581 56.048 -0.326 0.000 1.278 34 H CB -0.060 29.443 29.762 -0.432 0.000 1.386 34 H HN 0.196 8.476 8.280 -0.000 0.000 0.567 35 F N 1.620 121.255 119.950 -0.526 0.000 2.154 35 F HA -0.278 4.261 4.527 0.021 0.000 0.301 35 F C 2.270 177.734 175.800 -0.561 0.000 1.087 35 F CA 1.547 58.997 58.000 -0.917 0.000 1.274 35 F CB -0.306 38.172 39.000 -0.870 0.000 1.009 35 F HN 0.132 8.432 8.300 -0.000 0.000 0.485 36 S N -0.634 114.830 115.700 -0.393 0.000 2.453 36 S HA -0.127 4.356 4.470 0.022 0.000 0.231 36 S C 2.123 176.521 174.600 -0.336 0.000 1.005 36 S CA 0.944 58.923 58.200 -0.369 0.000 0.949 36 S CB -1.176 61.905 63.200 -0.198 0.000 0.774 36 S HN 0.589 8.899 8.310 -0.000 0.000 0.510 37 Q N 1.397 121.026 119.800 -0.284 0.000 2.083 37 Q HA 0.160 4.513 4.340 0.022 0.000 0.198 37 Q C 2.106 177.976 176.000 -0.216 0.000 0.969 37 Q CA 1.430 57.130 55.803 -0.172 0.000 0.838 37 Q CB -1.134 27.570 28.738 -0.057 0.000 0.900 37 Q HN 0.549 8.819 8.270 -0.000 0.000 0.436 38 I N 0.513 120.857 120.570 -0.377 0.000 2.118 38 I HA -0.248 3.935 4.170 0.022 0.000 0.241 38 I C 2.463 178.300 176.117 -0.466 0.000 1.070 38 I CA 1.340 62.370 61.300 -0.451 0.000 1.327 38 I CB -0.522 37.041 38.000 -0.730 0.000 1.034 38 I HN 0.292 8.502 8.210 -0.000 0.000 0.405 39 V N -0.026 119.485 119.914 -0.672 0.000 2.295 39 V HA -0.302 3.831 4.120 0.022 0.000 0.246 39 V C 2.810 178.733 176.094 -0.284 0.000 1.049 39 V CA 2.065 64.049 62.300 -0.526 0.000 1.024 39 V CB -0.873 30.585 31.823 -0.608 0.000 0.648 39 V HN 0.428 8.618 8.190 -0.000 0.000 0.447 40 R N 0.320 120.676 120.500 -0.240 0.000 2.091 40 R HA -0.149 4.204 4.340 0.022 0.000 0.238 40 R C 2.355 178.596 176.300 -0.098 0.000 1.136 40 R CA 1.944 57.958 56.100 -0.143 0.000 0.959 40 R CB -1.105 29.123 30.300 -0.120 0.000 0.856 40 R HN 0.729 8.999 8.270 -0.000 0.000 0.437 41 V N -0.869 118.997 119.914 -0.081 0.000 2.358 41 V HA -0.010 4.123 4.120 0.022 0.000 0.246 41 V C 2.480 178.553 176.094 -0.035 0.000 1.047 41 V CA 2.101 64.385 62.300 -0.026 0.000 1.035 41 V CB -0.736 31.130 31.823 0.071 0.000 0.658 41 V HN 0.418 8.608 8.190 -0.000 0.000 0.452 42 L N 0.361 121.545 121.223 -0.066 0.000 2.217 42 L HA -0.045 4.308 4.340 0.022 0.000 0.211 42 L C 2.716 179.554 176.870 -0.053 0.000 1.107 42 L CA 1.699 56.505 54.840 -0.057 0.000 0.783 42 L CB -0.897 41.110 42.059 -0.086 0.000 0.919 42 L HN 0.337 8.567 8.230 -0.000 0.000 0.442 43 T N -1.074 113.436 114.554 -0.073 0.000 2.896 43 T HA -0.123 4.240 4.350 0.022 0.000 0.263 43 T C 1.620 176.298 174.700 -0.037 0.000 1.050 43 T CA 0.743 62.809 62.100 -0.056 0.000 1.140 43 T CB -0.058 68.765 68.868 -0.075 0.000 0.877 43 T HN 0.297 8.537 8.240 -0.000 0.000 0.457 44 E N 1.213 121.388 120.200 -0.041 0.000 2.393 44 E HA -0.122 4.241 4.350 0.022 0.000 0.201 44 E C 1.798 178.387 176.600 -0.019 0.000 1.025 44 E CA 0.899 57.278 56.400 -0.034 0.000 0.856 44 E CB -0.287 29.389 29.700 -0.039 0.000 0.771 44 E HN 0.760 9.120 8.360 -0.000 0.000 0.526 45 D N 1.102 121.500 120.400 -0.004 0.000 2.400 45 D HA -0.080 4.573 4.640 0.022 0.000 0.242 45 D C 0.398 176.728 176.300 0.051 0.000 1.077 45 D CA 0.611 54.629 54.000 0.031 0.000 0.943 45 D CB -0.442 40.383 40.800 0.041 0.000 0.882 45 D HN 0.324 8.694 8.370 -0.000 0.000 0.529 50 P HA -0.044 4.376 4.420 -0.000 0.000 0.249 50 P C 0.903 178.229 177.300 0.044 0.000 1.229 50 P CA 0.446 63.571 63.100 0.041 0.000 0.788 50 P CB 0.332 32.041 31.700 0.015 0.000 1.072 51 E N 1.041 121.278 120.200 0.063 0.000 2.112 51 E HA -0.092 4.271 4.350 0.022 0.000 0.190 51 E C 1.620 178.238 176.600 0.030 0.000 0.979 51 E CA 0.736 57.161 56.400 0.042 0.000 0.814 51 E CB -0.909 28.817 29.700 0.044 0.000 0.762 51 E HN 0.336 8.696 8.360 -0.000 0.000 0.460 52 I N -1.041 119.551 120.570 0.036 0.000 3.749 52 I HA 0.361 4.544 4.170 0.022 0.000 0.314 52 I C 1.768 177.900 176.117 0.024 0.000 1.278 52 I CA 0.097 61.409 61.300 0.021 0.000 1.158 52 I CB 0.094 38.098 38.000 0.006 0.000 1.018 52 I HN 0.029 8.239 8.210 -0.000 0.000 0.435 53 G N 1.617 110.433 108.800 0.027 0.000 2.440 53 G HA2 -0.257 3.716 3.960 0.022 0.000 0.218 53 G HA3 -0.257 3.716 3.960 0.022 0.000 0.218 53 G C 1.071 175.982 174.900 0.018 0.000 1.154 53 G CA 1.231 46.344 45.100 0.021 0.000 0.767 53 G HN 0.398 8.688 8.290 -0.000 0.000 0.552 54 D N 0.669 121.081 120.400 0.019 0.000 2.144 54 D HA 0.068 4.721 4.640 0.022 0.000 0.200 54 D C 2.742 179.057 176.300 0.026 0.000 0.978 54 D CA 1.119 55.131 54.000 0.021 0.000 0.833 54 D CB -0.344 40.468 40.800 0.020 0.000 0.961 54 D HN 0.314 8.684 8.370 -0.000 0.000 0.470 55 A N 0.376 123.210 122.820 0.023 0.000 2.014 55 A HA -0.067 4.266 4.320 0.022 0.000 0.218 55 A C 2.017 179.616 177.584 0.024 0.000 1.163 55 A CA 0.586 52.639 52.037 0.027 0.000 0.652 55 A CB -0.296 18.716 19.000 0.020 0.000 0.808 55 A HN 0.120 8.270 8.150 -0.000 0.000 0.449 56 I N -0.344 120.236 120.570 0.017 0.000 2.406 56 I HA -0.129 4.054 4.170 0.022 0.000 0.249 56 I C 2.871 178.992 176.117 0.006 0.000 1.122 56 I CA 1.235 62.540 61.300 0.008 0.000 1.431 56 I CB -1.442 36.562 38.000 0.006 0.000 1.087 56 I HN 0.351 8.561 8.210 -0.000 0.000 0.424 57 A N 1.211 124.039 122.820 0.014 0.000 1.877 57 A HA -0.263 4.070 4.320 0.022 0.000 0.216 57 A C 2.414 180.019 177.584 0.035 0.000 1.186 57 A CA 2.051 54.099 52.037 0.019 0.000 0.620 57 A CB -0.595 18.419 19.000 0.023 0.000 0.822 57 A HN 0.306 8.456 8.150 -0.000 0.000 0.443 58 R N -0.148 120.381 120.500 0.048 0.000 2.105 58 R HA -0.123 4.230 4.340 0.022 0.000 0.239 58 R C 1.829 178.169 176.300 0.066 0.000 1.135 58 R CA 1.913 58.059 56.100 0.078 0.000 0.967 58 R CB -0.987 29.365 30.300 0.087 0.000 0.861 58 R HN 0.466 8.736 8.270 -0.000 0.000 0.442 59 L N 0.718 121.962 121.223 0.034 0.000 2.093 59 L HA -0.014 4.339 4.340 0.022 0.000 0.208 59 L C 2.212 179.072 176.870 -0.017 0.000 1.085 59 L CA 1.987 56.832 54.840 0.009 0.000 0.755 59 L CB -0.646 41.413 42.059 -0.001 0.000 0.904 59 L HN 0.273 8.503 8.230 -0.000 0.000 0.435 60 K N -0.219 120.170 120.400 -0.019 0.000 2.001 60 K HA -0.302 4.031 4.320 0.022 0.000 0.214 60 K C 2.177 178.773 176.600 -0.006 0.000 1.050 60 K CA 2.175 58.442 56.287 -0.033 0.000 0.934 60 K CB -0.362 32.120 32.500 -0.030 0.000 0.718 60 K HN 0.533 8.783 8.250 -0.000 0.000 0.443 61 E N -0.014 120.197 120.200 0.018 0.000 2.097 61 E HA -0.201 4.162 4.350 0.022 0.000 0.196 61 E C 1.890 178.440 176.600 -0.084 0.000 1.000 61 E CA 1.665 58.087 56.400 0.037 0.000 0.804 61 E CB 0.066 29.833 29.700 0.112 0.000 0.740 61 E HN 0.206 8.566 8.360 -0.000 0.000 0.454 62 V N 1.121 120.941 119.914 -0.157 0.000 2.407 62 V HA -0.261 3.872 4.120 0.022 0.000 0.248 62 V C 2.401 178.377 176.094 -0.197 0.000 1.055 62 V CA 1.402 63.480 62.300 -0.370 0.000 1.049 62 V CB -0.396 31.304 31.823 -0.206 0.000 0.662 62 V HN 0.317 8.507 8.190 -0.000 0.000 0.455 63 L N -0.416 120.783 121.223 -0.039 0.000 2.046 63 L HA -0.195 4.158 4.340 0.022 0.000 0.208 63 L C 2.544 179.536 176.870 0.203 0.000 1.077 63 L CA 1.755 56.661 54.840 0.111 0.000 0.747 63 L CB -0.535 41.576 42.059 0.086 0.000 0.896 63 L HN 0.363 8.593 8.230 -0.000 0.000 0.432 64 E N -1.282 119.008 120.200 0.150 0.000 2.152 64 E HA -0.217 4.146 4.350 0.022 0.000 0.192 64 E C 1.922 178.557 176.600 0.059 0.000 0.983 64 E CA 0.938 57.430 56.400 0.154 0.000 0.818 64 E CB -0.010 29.779 29.700 0.147 0.000 0.758 64 E HN 0.419 8.779 8.360 -0.000 0.000 0.467 65 Y N 1.174 121.408 120.300 -0.110 0.000 2.243 65 Y HA -0.028 4.535 4.550 0.021 0.000 0.293 65 Y C 1.723 177.563 175.900 -0.100 0.000 1.124 65 Y CA 1.205 59.239 58.100 -0.109 0.000 1.159 65 Y CB 0.379 38.695 38.460 -0.240 0.000 1.008 65 Y HN -0.031 8.249 8.280 -0.000 0.000 0.527 66 N N -0.955 117.744 118.700 -0.002 0.000 2.322 66 N HA 0.124 4.877 4.740 0.022 0.000 0.181 66 N C 1.307 176.847 175.510 0.051 0.000 1.088 66 N CA 0.845 53.903 53.050 0.014 0.000 0.885 66 N CB 0.403 38.852 38.487 -0.063 0.000 1.013 66 N HN 0.340 8.720 8.380 -0.000 0.000 0.472 67 A N 0.370 123.223 122.820 0.056 0.000 2.197 67 A HA 0.265 4.598 4.320 0.022 0.000 0.210 67 A C 0.763 178.404 177.584 0.095 0.000 1.180 67 A CA 0.153 52.273 52.037 0.138 0.000 0.846 67 A CB 0.456 19.596 19.000 0.233 0.000 0.884 67 A HN -0.024 8.126 8.150 -0.000 0.000 0.487 68 I N -1.042 119.495 120.570 -0.054 0.000 2.577 68 I HA 0.540 4.723 4.170 0.022 0.000 0.305 68 I C 1.372 177.467 176.117 -0.036 0.000 0.986 68 I CA 0.892 62.182 61.300 -0.016 0.000 1.189 68 I CB 0.856 38.775 38.000 -0.136 0.000 1.355 68 I HN 0.414 8.624 8.210 -0.000 0.000 0.476 69 G N 3.496 112.286 108.800 -0.017 0.000 2.231 69 G HA2 -0.142 3.831 3.960 0.022 0.000 0.206 69 G HA3 -0.142 3.831 3.960 0.022 0.000 0.206 69 G C 0.492 175.271 174.900 -0.202 0.000 0.996 69 G CA -0.142 44.905 45.100 -0.089 0.000 0.645 69 G HN 0.987 9.277 8.290 -0.000 0.000 0.498 70 G N -0.288 108.265 108.800 -0.412 0.000 2.509 70 G HA2 0.532 4.505 3.960 0.022 0.000 0.269 70 G HA3 0.532 4.505 3.960 0.022 0.000 0.269 70 G C 0.869 175.378 174.900 -0.652 0.000 1.416 70 G CA 0.440 45.276 45.100 -0.440 0.000 1.052 70 G HN 0.287 8.577 8.290 -0.000 0.000 0.542 71 K N -1.687 118.468 120.400 -0.409 0.000 2.186 71 K HA 0.106 4.439 4.320 0.022 0.000 0.202 71 K C -0.122 176.399 176.600 -0.132 0.000 1.052 71 K CA 0.447 56.610 56.287 -0.207 0.000 0.965 71 K CB -0.003 32.475 32.500 -0.037 0.000 0.746 71 K HN 0.516 8.766 8.250 -0.000 0.000 0.457 72 Y N -0.717 119.571 120.300 -0.020 0.000 4.569 72 Y HA -0.287 4.276 4.550 0.021 0.000 0.237 72 Y C 0.869 176.653 175.900 -0.193 0.000 1.090 72 Y CA -0.070 57.979 58.100 -0.085 0.000 2.052 72 Y CB -2.619 35.839 38.460 -0.003 0.000 1.621 72 Y HN 0.150 8.430 8.280 -0.000 0.000 0.682 73 N N 0.752 119.400 118.700 -0.086 0.000 2.104 73 N HA -0.129 4.624 4.740 0.022 0.000 0.190 73 N C 1.832 177.177 175.510 -0.275 0.000 1.024 73 N CA 1.886 54.833 53.050 -0.172 0.000 0.853 73 N CB -0.210 38.147 38.487 -0.216 0.000 1.008 73 N HN 0.608 8.988 8.380 -0.000 0.000 0.424 74 R N -0.060 120.271 120.500 -0.282 0.000 2.070 74 R HA -0.022 4.331 4.340 0.022 0.000 0.233 74 R C 2.390 178.514 176.300 -0.293 0.000 1.137 74 R CA 1.452 57.373 56.100 -0.299 0.000 0.945 74 R CB -0.702 29.469 30.300 -0.216 0.000 0.845 74 R HN 0.240 8.510 8.270 -0.000 0.000 0.430 75 G N 0.835 109.437 108.800 -0.330 0.000 2.402 75 G HA2 -0.194 3.779 3.960 0.022 0.000 0.216 75 G HA3 -0.194 3.779 3.960 0.022 0.000 0.216 75 G C 1.456 175.768 174.900 -0.981 0.000 1.162 75 G CA 0.256 45.007 45.100 -0.582 0.000 0.777 75 G HN 0.103 8.393 8.290 -0.000 0.000 0.539 76 L N 0.567 121.214 121.223 -0.961 0.000 2.131 76 L HA -0.090 4.263 4.340 0.022 0.000 0.210 76 L C 3.145 179.790 176.870 -0.375 0.000 1.092 76 L CA 1.372 55.820 54.840 -0.652 0.000 0.759 76 L CB -0.493 41.348 42.059 -0.364 0.000 0.903 76 L HN 0.192 8.422 8.230 -0.000 0.000 0.435 77 T N -0.773 113.583 114.554 -0.331 0.000 2.788 77 T HA -0.156 4.207 4.350 0.022 0.000 0.268 77 T C 1.973 176.524 174.700 -0.248 0.000 1.044 77 T CA 1.240 63.181 62.100 -0.264 0.000 1.139 77 T CB -0.133 68.571 68.868 -0.274 0.000 0.867 77 T HN 0.079 8.319 8.240 -0.000 0.000 0.454 78 V N 1.113 120.869 119.914 -0.263 0.000 2.407 78 V HA -0.141 3.992 4.120 0.022 0.000 0.248 78 V C 2.570 178.550 176.094 -0.191 0.000 1.055 78 V CA 1.361 63.538 62.300 -0.206 0.000 1.049 78 V CB -0.591 31.130 31.823 -0.169 0.000 0.662 78 V HN 0.329 8.519 8.190 -0.000 0.000 0.455 79 V N -0.784 118.982 119.914 -0.247 0.000 2.346 79 V HA -0.143 3.990 4.120 0.022 0.000 0.244 79 V C 2.377 178.379 176.094 -0.153 0.000 1.037 79 V CA 1.510 63.663 62.300 -0.245 0.000 1.029 79 V CB -0.158 31.499 31.823 -0.278 0.000 0.663 79 V HN 0.365 8.555 8.190 -0.000 0.000 0.454 80 V N 0.659 120.483 119.914 -0.151 0.000 2.255 80 V HA -0.302 3.831 4.120 0.022 0.000 0.247 80 V C 2.759 178.781 176.094 -0.120 0.000 1.051 80 V CA 2.334 64.564 62.300 -0.117 0.000 1.018 80 V CB -1.197 30.556 31.823 -0.116 0.000 0.641 80 V HN 0.556 8.746 8.190 -0.000 0.000 0.445 81 A N -0.734 122.000 122.820 -0.143 0.000 1.902 81 A HA -0.238 4.095 4.320 0.022 0.000 0.217 81 A C 2.113 179.628 177.584 -0.114 0.000 1.181 81 A CA 1.994 53.931 52.037 -0.166 0.000 0.623 81 A CB -0.743 18.127 19.000 -0.218 0.000 0.818 81 A HN 0.531 8.681 8.150 -0.000 0.000 0.443 82 F N 0.804 120.622 119.950 -0.220 0.000 2.095 82 F HA -0.218 4.320 4.527 0.018 0.000 0.298 82 F C 2.422 178.115 175.800 -0.178 0.000 1.104 82 F CA 2.106 59.984 58.000 -0.203 0.000 1.232 82 F CB -0.243 38.622 39.000 -0.225 0.000 0.987 82 F HN 0.124 8.424 8.300 -0.000 0.000 0.475 83 R N 0.219 120.639 120.500 -0.133 0.000 2.081 83 R HA -0.166 4.187 4.340 0.022 0.000 0.235 83 R C 2.074 178.242 176.300 -0.220 0.000 1.131 83 R CA 1.855 57.835 56.100 -0.200 0.000 0.960 83 R CB -0.570 29.667 30.300 -0.104 0.000 0.856 83 R HN 0.454 8.724 8.270 -0.000 0.000 0.436 84 E N 0.276 120.367 120.200 -0.182 0.000 2.347 84 E HA -0.107 4.256 4.350 0.022 0.000 0.196 84 E C 1.601 178.089 176.600 -0.188 0.000 1.008 84 E CA 0.697 56.999 56.400 -0.164 0.000 0.852 84 E CB 0.154 29.765 29.700 -0.147 0.000 0.783 84 E HN 0.333 8.693 8.360 -0.000 0.000 0.505 85 L N 0.092 121.168 121.223 -0.246 0.000 2.556 85 L HA 0.129 4.482 4.340 0.022 0.000 0.226 85 L C 0.185 176.890 176.870 -0.275 0.000 1.089 85 L CA -0.076 54.623 54.840 -0.235 0.000 0.864 85 L CB 0.933 42.859 42.059 -0.221 0.000 1.067 85 L HN -0.133 8.097 8.230 -0.000 0.000 0.477 86 V N 0.255 119.931 119.914 -0.397 0.000 2.459 86 V HA 0.160 4.293 4.120 0.022 0.000 0.295 86 V C 0.226 176.161 176.094 -0.264 0.000 1.029 86 V CA -0.961 61.102 62.300 -0.395 0.000 0.874 86 V CB 1.819 33.210 31.823 -0.720 0.000 0.985 86 V HN 0.112 8.302 8.190 -0.000 0.000 0.438 87 E N 6.125 126.224 120.200 -0.169 0.000 2.465 87 E HA 0.002 4.365 4.350 0.022 0.000 0.260 87 E C -1.597 174.937 176.600 -0.110 0.000 0.980 87 E CA -1.134 55.199 56.400 -0.113 0.000 0.927 87 E CB 1.208 30.864 29.700 -0.074 0.000 0.934 87 E HN 0.394 8.754 8.360 -0.000 0.000 0.459 88 P HA -0.244 4.176 4.420 -0.000 0.000 0.216 88 P C 0.866 178.144 177.300 -0.036 0.000 1.157 88 P CA 1.889 64.951 63.100 -0.062 0.000 0.880 88 P CB -0.047 31.627 31.700 -0.044 0.000 0.791 89 R N 0.290 120.773 120.500 -0.027 0.000 2.249 89 R HA -0.090 4.263 4.340 0.022 0.000 0.230 89 R C 1.441 177.737 176.300 -0.005 0.000 1.121 89 R CA 1.450 57.544 56.100 -0.011 0.000 0.997 89 R CB -0.801 29.493 30.300 -0.009 0.000 0.867 89 R HN 0.198 8.468 8.270 -0.000 0.000 0.465 90 K N 0.531 120.919 120.400 -0.019 0.000 2.374 90 K HA 0.071 4.404 4.320 0.022 0.000 0.196 90 K C 0.217 176.825 176.600 0.013 0.000 1.023 90 K CA 0.082 56.367 56.287 -0.004 0.000 1.103 90 K CB 0.654 33.142 32.500 -0.020 0.000 0.848 90 K HN 0.279 8.529 8.250 -0.000 0.000 0.528 91 Q N 2.879 122.676 119.800 -0.005 0.000 3.247 91 Q HA 0.007 4.360 4.340 0.022 0.000 0.326 91 Q C -0.620 175.418 176.000 0.064 0.000 1.402 91 Q CA -0.105 55.719 55.803 0.036 0.000 0.994 91 Q CB -0.144 28.585 28.738 -0.014 0.000 1.647 91 Q HN 0.323 8.593 8.270 -0.000 0.000 0.523 92 D N -0.657 119.790 120.400 0.078 0.000 2.371 92 D HA 0.046 4.699 4.640 0.022 0.000 0.242 92 D C 0.801 177.157 176.300 0.093 0.000 1.218 92 D CA 0.031 54.077 54.000 0.077 0.000 0.945 92 D CB 1.037 41.880 40.800 0.071 0.000 1.137 92 D HN 0.178 8.548 8.370 -0.000 0.000 0.464 93 A N 1.198 124.075 122.820 0.094 0.000 1.892 93 A HA -0.271 4.062 4.320 0.022 0.000 0.218 93 A C 1.737 179.394 177.584 0.121 0.000 1.188 93 A CA 2.045 54.151 52.037 0.116 0.000 0.631 93 A CB -0.606 18.462 19.000 0.113 0.000 0.822 93 A HN 0.644 8.794 8.150 -0.000 0.000 0.447 94 D N -0.192 120.273 120.400 0.108 0.000 2.117 94 D HA -0.114 4.539 4.640 0.022 0.000 0.197 94 D C 2.507 178.876 176.300 0.114 0.000 0.987 94 D CA 1.841 55.910 54.000 0.115 0.000 0.829 94 D CB -0.323 40.532 40.800 0.091 0.000 0.961 94 D HN 0.606 8.976 8.370 -0.000 0.000 0.460 95 S N -0.094 115.673 115.700 0.113 0.000 2.414 95 S HA -0.017 4.466 4.470 0.022 0.000 0.227 95 S C 2.245 176.829 174.600 -0.027 0.000 1.022 95 S CA 0.289 58.562 58.200 0.122 0.000 0.958 95 S CB -0.515 62.836 63.200 0.251 0.000 0.797 95 S HN 0.196 8.506 8.310 -0.000 0.000 0.493 96 L N 1.491 122.707 121.223 -0.012 0.000 2.093 96 L HA -0.091 4.262 4.340 0.022 0.000 0.208 96 L C 3.104 179.742 176.870 -0.387 0.000 1.085 96 L CA 1.622 56.314 54.840 -0.247 0.000 0.755 96 L CB -0.643 41.317 42.059 -0.165 0.000 0.904 96 L HN 0.443 8.673 8.230 -0.000 0.000 0.435 97 Q N 0.513 120.296 119.800 -0.029 0.000 2.096 97 Q HA -0.237 4.116 4.340 0.022 0.000 0.204 97 Q C 2.321 178.346 176.000 0.041 0.000 0.982 97 Q CA 1.637 57.541 55.803 0.170 0.000 0.850 97 Q CB 0.034 28.935 28.738 0.271 0.000 0.901 97 Q HN 0.418 8.688 8.270 -0.000 0.000 0.422 98 R N -0.065 120.426 120.500 -0.014 0.000 2.075 98 R HA -0.084 4.269 4.340 0.022 0.000 0.232 98 R C 2.450 178.623 176.300 -0.211 0.000 1.126 98 R CA 1.044 57.120 56.100 -0.040 0.000 0.963 98 R CB -0.472 29.869 30.300 0.069 0.000 0.858 98 R HN 0.351 8.621 8.270 -0.000 0.000 0.435 99 A N 0.920 123.434 122.820 -0.510 0.000 1.873 99 A HA -0.205 4.128 4.320 0.022 0.000 0.218 99 A C 1.913 179.324 177.584 -0.288 0.000 1.193 99 A CA 1.442 53.074 52.037 -0.675 0.000 0.629 99 A CB -1.125 17.140 19.000 -1.225 0.000 0.826 99 A HN 0.492 8.642 8.150 -0.000 0.000 0.447 100 W N -0.025 121.175 121.300 -0.166 0.000 2.321 100 W HA -0.172 4.501 4.660 0.022 0.000 0.306 100 W C 2.643 179.240 176.519 0.130 0.000 1.217 100 W CA 1.341 58.683 57.345 -0.004 0.000 1.257 100 W CB -0.676 28.659 29.460 -0.208 0.000 1.145 100 W HN 0.269 8.449 8.180 -0.000 0.000 0.509 101 T N 0.173 114.840 114.554 0.189 0.000 2.777 101 T HA -0.168 4.195 4.350 0.022 0.000 0.266 101 T C 1.787 176.542 174.700 0.093 0.000 1.040 101 T CA 1.552 63.664 62.100 0.020 0.000 1.141 101 T CB -0.685 67.899 68.868 -0.473 0.000 0.868 101 T HN -0.097 8.143 8.240 -0.000 0.000 0.444 102 V N 1.534 121.481 119.914 0.054 0.000 2.427 102 V HA -0.081 4.052 4.120 0.022 0.000 0.248 102 V C 2.858 179.069 176.094 0.196 0.000 1.051 102 V CA 1.829 64.196 62.300 0.111 0.000 1.048 102 V CB -1.390 30.475 31.823 0.071 0.000 0.666 102 V HN 0.587 8.777 8.190 -0.000 0.000 0.456 103 G N -1.160 107.732 108.800 0.152 0.000 2.446 103 G HA2 -0.293 3.680 3.960 0.022 0.000 0.217 103 G HA3 -0.293 3.680 3.960 0.022 0.000 0.217 103 G C 1.374 176.443 174.900 0.282 0.000 1.168 103 G CA 0.788 45.958 45.100 0.116 0.000 0.771 103 G HN 0.595 8.885 8.290 -0.000 0.000 0.551 104 W N 0.076 121.641 121.300 0.441 0.000 2.425 104 W HA -0.022 4.650 4.660 0.019 0.000 0.277 104 W C 2.776 179.430 176.519 0.225 0.000 1.231 104 W CA 0.371 57.922 57.345 0.342 0.000 1.248 104 W CB -0.301 29.264 29.460 0.174 0.000 1.117 104 W HN 0.189 8.369 8.180 -0.000 0.000 0.568 105 C N -0.946 118.563 119.300 0.349 0.000 2.429 105 C HA -0.190 4.283 4.460 0.022 0.000 0.277 105 C C 2.591 177.818 174.990 0.395 0.000 1.262 105 C CA 1.028 60.152 59.018 0.176 0.000 1.733 105 C CB -1.335 26.298 27.740 -0.179 0.000 2.010 105 C HN 0.163 8.393 8.230 -0.000 0.000 0.483 106 V N 0.934 121.133 119.914 0.476 0.000 2.407 106 V HA -0.167 3.966 4.120 0.022 0.000 0.248 106 V C 2.508 178.814 176.094 0.353 0.000 1.055 106 V CA 1.759 64.307 62.300 0.414 0.000 1.049 106 V CB -0.712 31.220 31.823 0.181 0.000 0.662 106 V HN 0.493 8.683 8.190 -0.000 0.000 0.455 107 E N 0.352 120.749 120.200 0.328 0.000 2.110 107 E HA -0.150 4.213 4.350 0.022 0.000 0.193 107 E C 2.165 179.008 176.600 0.405 0.000 0.988 107 E CA 1.161 57.772 56.400 0.352 0.000 0.804 107 E CB -0.262 29.657 29.700 0.365 0.000 0.745 107 E HN 0.547 8.907 8.360 -0.000 0.000 0.458 108 L N 0.051 121.519 121.223 0.408 0.000 2.179 108 L HA -0.101 4.252 4.340 0.022 0.000 0.208 108 L C 2.450 179.498 176.870 0.297 0.000 1.096 108 L CA 0.183 55.213 54.840 0.317 0.000 0.779 108 L CB -0.301 41.894 42.059 0.226 0.000 0.922 108 L HN 0.115 8.345 8.230 -0.000 0.000 0.443 109 L N 0.243 121.677 121.223 0.351 0.000 2.046 109 L HA -0.237 4.116 4.340 0.022 0.000 0.208 109 L C 2.589 179.743 176.870 0.474 0.000 1.077 109 L CA 1.796 56.881 54.840 0.408 0.000 0.747 109 L CB -0.509 41.875 42.059 0.541 0.000 0.896 109 L HN 0.254 8.484 8.230 -0.000 0.000 0.432 110 Q N -0.203 119.898 119.800 0.500 0.000 2.020 110 Q HA -0.173 4.179 4.340 0.022 0.000 0.202 110 Q C 2.168 178.380 176.000 0.353 0.000 0.982 110 Q CA 2.431 58.540 55.803 0.511 0.000 0.838 110 Q CB -0.606 28.390 28.738 0.430 0.000 0.899 110 Q HN 0.541 8.811 8.270 -0.000 0.000 0.423 111 A N 0.256 123.253 122.820 0.294 0.000 1.873 111 A HA -0.198 4.135 4.320 0.022 0.000 0.218 111 A C 2.060 179.761 177.584 0.196 0.000 1.193 111 A CA 1.715 53.886 52.037 0.224 0.000 0.629 111 A CB -1.380 17.747 19.000 0.212 0.000 0.826 111 A HN 0.664 8.814 8.150 -0.000 0.000 0.447 112 F N -0.088 119.876 119.950 0.024 0.000 2.085 112 F HA -0.260 4.281 4.527 0.024 0.000 0.299 112 F C 1.895 177.629 175.800 -0.110 0.000 1.096 112 F CA 1.958 59.893 58.000 -0.109 0.000 1.227 112 F CB -0.743 38.093 39.000 -0.272 0.000 0.983 112 F HN 0.226 8.526 8.300 -0.000 0.000 0.482 113 F N -0.124 119.611 119.950 -0.358 0.000 2.206 113 F HA -0.101 4.438 4.527 0.020 0.000 0.298 113 F C 2.282 177.951 175.800 -0.218 0.000 1.090 113 F CA 0.717 58.422 58.000 -0.491 0.000 1.323 113 F CB -0.319 38.449 39.000 -0.388 0.000 1.028 113 F HN -0.031 8.269 8.300 -0.000 0.000 0.492 114 L N -0.762 120.546 121.223 0.142 0.000 2.027 114 L HA -0.179 4.174 4.340 0.022 0.000 0.206 114 L C 2.384 179.318 176.870 0.107 0.000 1.074 114 L CA 0.721 55.641 54.840 0.134 0.000 0.745 114 L CB -0.874 41.283 42.059 0.163 0.000 0.898 114 L HN -0.033 8.197 8.230 -0.000 0.000 0.433 115 V N 0.468 120.448 119.914 0.111 0.000 2.324 115 V HA -0.336 3.797 4.120 0.022 0.000 0.250 115 V C 2.782 178.920 176.094 0.073 0.000 1.060 115 V CA 2.002 64.395 62.300 0.154 0.000 1.042 115 V CB -0.902 31.035 31.823 0.189 0.000 0.650 115 V HN 0.497 8.687 8.190 -0.000 0.000 0.450 116 A N -0.116 122.691 122.820 -0.022 0.000 1.873 116 A HA -0.280 4.053 4.320 0.022 0.000 0.215 116 A C 2.048 179.590 177.584 -0.070 0.000 1.186 116 A CA 2.066 54.060 52.037 -0.072 0.000 0.616 116 A CB -0.737 18.172 19.000 -0.151 0.000 0.823 116 A HN 0.613 8.763 8.150 -0.000 0.000 0.442 117 D N -0.234 120.148 120.400 -0.030 0.000 2.104 117 D HA -0.187 4.466 4.640 0.022 0.000 0.194 117 D C 1.280 177.566 176.300 -0.024 0.000 0.994 117 D CA 1.653 55.646 54.000 -0.012 0.000 0.830 117 D CB -0.118 40.700 40.800 0.029 0.000 0.959 117 D HN 0.351 8.721 8.370 -0.000 0.000 0.452 118 D N -0.296 120.109 120.400 0.009 0.000 2.149 118 D HA -0.140 4.513 4.640 0.022 0.000 0.198 118 D C 2.198 178.379 176.300 -0.198 0.000 0.990 118 D CA 0.652 54.675 54.000 0.038 0.000 0.839 118 D CB -0.216 40.708 40.800 0.205 0.000 0.948 118 D HN 0.416 8.786 8.370 -0.000 0.000 0.460 119 I N 0.252 120.544 120.570 -0.465 0.000 2.179 119 I HA -0.240 3.943 4.170 0.022 0.000 0.242 119 I C 2.418 178.308 176.117 -0.379 0.000 1.088 119 I CA 0.944 61.736 61.300 -0.847 0.000 1.357 119 I CB -0.183 37.464 38.000 -0.589 0.000 1.051 119 I HN -0.051 8.159 8.210 -0.000 0.000 0.409 120 M N -0.218 119.265 119.600 -0.195 0.000 2.394 120 M HA -0.119 4.374 4.480 0.022 0.000 0.264 120 M C 0.684 176.950 176.300 -0.056 0.000 1.073 120 M CA 1.205 56.446 55.300 -0.098 0.000 1.111 120 M CB -0.235 32.329 32.600 -0.061 0.000 1.401 120 M HN 0.121 8.411 8.290 -0.000 0.000 0.448 121 D N -0.200 120.171 120.400 -0.048 0.000 2.349 121 D HA 0.107 4.760 4.640 0.022 0.000 0.214 121 D C 0.232 176.543 176.300 0.018 0.000 1.063 121 D CA 0.260 54.255 54.000 -0.009 0.000 0.847 121 D CB 0.267 41.070 40.800 0.005 0.000 0.933 121 D HN 0.069 8.439 8.370 -0.000 0.000 0.513 122 S N -0.460 115.258 115.700 0.029 0.000 3.698 122 S HA -0.169 4.314 4.470 0.022 0.000 0.338 122 S C 0.478 175.179 174.600 0.168 0.000 1.089 122 S CA 0.242 58.516 58.200 0.123 0.000 0.991 122 S CB -1.879 61.362 63.200 0.069 0.000 0.909 122 S HN 0.186 8.496 8.310 -0.000 0.000 0.485 123 S N -0.018 115.803 115.700 0.202 0.000 2.614 123 S HA 0.558 5.041 4.470 0.022 0.000 0.265 123 S C 1.506 176.223 174.600 0.195 0.000 1.303 123 S CA -0.562 57.741 58.200 0.172 0.000 1.000 123 S CB 0.876 64.168 63.200 0.153 0.000 0.935 123 S HN 0.397 8.707 8.310 -0.000 0.000 0.551 124 L N 0.404 121.687 121.223 0.099 0.000 2.433 124 L HA 0.206 4.559 4.340 0.022 0.000 0.200 124 L C 0.953 177.854 176.870 0.050 0.000 1.059 124 L CA 0.267 55.131 54.840 0.040 0.000 0.835 124 L CB -0.097 41.971 42.059 0.014 0.000 1.076 124 L HN 0.711 8.941 8.230 -0.000 0.000 0.481 125 T N -1.661 112.933 114.554 0.066 0.000 2.916 125 T HA 0.721 5.084 4.350 0.022 0.000 0.292 125 T C -0.818 173.933 174.700 0.085 0.000 1.055 125 T CA -0.745 61.398 62.100 0.071 0.000 1.009 125 T CB 2.913 71.805 68.868 0.040 0.000 1.118 125 T HN -0.028 8.212 8.240 -0.000 0.000 0.497 126 R N 0.431 120.983 120.500 0.086 0.000 2.522 126 R HA 0.554 4.907 4.340 0.022 0.000 0.283 126 R C -0.426 175.886 176.300 0.021 0.000 1.074 126 R CA -0.595 55.550 56.100 0.074 0.000 0.925 126 R CB 0.551 30.929 30.300 0.129 0.000 1.205 126 R HN 0.821 9.091 8.270 -0.000 0.000 0.436 127 R N 3.241 123.742 120.500 0.001 0.000 3.516 127 R HA -0.197 4.156 4.340 0.022 0.000 0.271 127 R C 0.476 176.752 176.300 -0.040 0.000 1.098 127 R CA 1.090 57.170 56.100 -0.034 0.000 0.732 127 R CB -1.884 28.377 30.300 -0.065 0.000 1.152 127 R HN 1.233 9.503 8.270 -0.000 0.000 0.455 128 G N -0.076 108.714 108.800 -0.017 0.000 2.221 128 G HA2 -0.360 3.613 3.960 0.022 0.000 0.265 128 G HA3 -0.360 3.613 3.960 0.022 0.000 0.265 128 G C -0.099 174.790 174.900 -0.017 0.000 1.041 128 G CA 0.849 45.941 45.100 -0.013 0.000 0.807 128 G HN 0.731 9.021 8.290 -0.000 0.000 0.502 129 Q N -1.176 118.616 119.800 -0.013 0.000 2.534 129 Q HA 0.692 5.045 4.340 0.022 0.000 0.290 129 Q C 0.330 176.383 176.000 0.089 0.000 0.991 129 Q CA -1.209 54.601 55.803 0.011 0.000 0.783 129 Q CB 1.417 30.096 28.738 -0.099 0.000 1.470 129 Q HN 0.968 9.238 8.270 -0.000 0.000 0.406 130 I N -1.125 119.542 120.570 0.162 0.000 2.692 130 I HA 0.268 4.451 4.170 0.022 0.000 0.284 130 I C -0.070 176.211 176.117 0.273 0.000 1.159 130 I CA -0.842 60.549 61.300 0.152 0.000 1.423 130 I CB 0.534 38.583 38.000 0.081 0.000 1.380 130 I HN 0.653 8.863 8.210 -0.000 0.000 0.580 131 C N 6.199 125.616 119.300 0.195 0.000 2.597 131 C HA -0.117 4.356 4.460 0.022 0.000 0.412 131 C C 1.712 176.903 174.990 0.335 0.000 1.348 131 C CA -0.161 59.043 59.018 0.311 0.000 1.769 131 C CB -0.290 27.637 27.740 0.312 0.000 2.641 131 C HN 1.095 9.325 8.230 -0.000 0.000 0.612 132 W N 2.568 124.038 121.300 0.284 0.000 2.321 132 W HA -0.236 4.438 4.660 0.022 0.000 0.306 132 W C 2.067 178.588 176.519 0.003 0.000 1.217 132 W CA 2.177 59.553 57.345 0.051 0.000 1.257 132 W CB -0.433 29.108 29.460 0.135 0.000 1.145 132 W HN 1.009 9.189 8.180 -0.000 0.000 0.509 133 Y N 0.858 121.134 120.300 -0.041 0.000 2.421 133 Y HA -0.117 4.446 4.550 0.022 0.000 0.292 133 Y C 2.152 177.954 175.900 -0.164 0.000 1.136 133 Y CA 1.441 59.443 58.100 -0.164 0.000 1.255 133 Y CB -1.070 37.383 38.460 -0.012 0.000 0.991 133 Y HN -0.046 8.234 8.280 -0.000 0.000 0.552 134 Q N 0.930 120.310 119.800 -0.700 0.000 2.424 134 Q HA 0.046 4.399 4.340 0.022 0.000 0.204 134 Q C 0.113 175.910 176.000 -0.338 0.000 0.933 134 Q CA 0.299 55.752 55.803 -0.582 0.000 0.929 134 Q CB 0.111 28.538 28.738 -0.519 0.000 1.037 134 Q HN 0.393 8.663 8.270 -0.000 0.000 0.511 135 K N 3.102 123.286 120.400 -0.360 0.000 2.447 135 K HA 0.089 4.422 4.320 0.022 0.000 0.281 135 K C -2.262 174.153 176.600 -0.309 0.000 1.031 135 K CA -1.290 54.792 56.287 -0.341 0.000 1.019 135 K CB 0.137 32.314 32.500 -0.537 0.000 0.918 135 K HN 0.047 8.297 8.250 -0.000 0.000 0.476 136 P HA -0.040 4.380 4.420 -0.000 0.000 0.263 136 P C 0.628 177.816 177.300 -0.187 0.000 1.195 136 P CA 0.518 63.519 63.100 -0.165 0.000 0.762 136 P CB 0.529 32.163 31.700 -0.110 0.000 0.799 137 G N 1.514 110.209 108.800 -0.175 0.000 2.201 137 G HA2 -0.224 3.749 3.960 0.022 0.000 0.212 137 G HA3 -0.224 3.749 3.960 0.022 0.000 0.212 137 G C 0.466 175.234 174.900 -0.221 0.000 0.994 137 G CA 0.121 45.121 45.100 -0.165 0.000 0.644 137 G HN 0.411 8.701 8.290 -0.000 0.000 0.508 138 V N 0.157 119.881 119.914 -0.317 0.000 2.939 138 V HA 0.660 4.793 4.120 0.022 0.000 0.228 138 V C 2.358 178.304 176.094 -0.247 0.000 1.162 138 V CA 2.077 64.126 62.300 -0.418 0.000 1.222 138 V CB -0.374 30.904 31.823 -0.909 0.000 1.053 138 V HN 2.050 10.240 8.190 -0.000 0.000 0.504 139 G N 0.461 109.137 108.800 -0.206 0.000 2.552 139 G HA2 -0.288 3.685 3.960 0.022 0.000 0.265 139 G HA3 -0.288 3.685 3.960 0.022 0.000 0.265 139 G C 0.434 175.344 174.900 0.016 0.000 1.234 139 G CA 0.355 45.419 45.100 -0.059 0.000 0.944 139 G HN 0.397 8.687 8.290 -0.000 0.000 0.568 140 L N 1.142 122.387 121.223 0.036 0.000 2.610 140 L HA 0.086 4.439 4.340 0.022 0.000 0.232 140 L C 2.117 179.014 176.870 0.044 0.000 1.149 140 L CA 0.770 55.639 54.840 0.048 0.000 0.872 140 L CB -0.394 41.686 42.059 0.036 0.000 0.992 140 L HN 0.443 8.673 8.230 -0.000 0.000 0.447 141 D N 1.175 121.589 120.400 0.025 0.000 2.228 141 D HA -0.202 4.451 4.640 0.022 0.000 0.203 141 D C 2.210 178.578 176.300 0.114 0.000 0.988 141 D CA 1.336 55.365 54.000 0.048 0.000 0.864 141 D CB 0.082 40.895 40.800 0.021 0.000 0.928 141 D HN 0.334 8.704 8.370 -0.000 0.000 0.469 142 A N 0.267 123.165 122.820 0.129 0.000 2.186 142 A HA -0.146 4.187 4.320 0.022 0.000 0.219 142 A C 2.220 179.944 177.584 0.234 0.000 1.159 142 A CA 0.623 52.836 52.037 0.294 0.000 0.680 142 A CB -0.659 18.541 19.000 0.333 0.000 0.787 142 A HN 0.260 8.410 8.150 -0.000 0.000 0.467 143 I N -0.765 119.891 120.570 0.144 0.000 2.233 143 I HA -0.211 3.972 4.170 0.022 0.000 0.243 143 I C 2.364 178.564 176.117 0.138 0.000 1.093 143 I CA 1.554 62.925 61.300 0.118 0.000 1.380 143 I CB -0.380 37.665 38.000 0.075 0.000 1.067 143 I HN 0.358 8.568 8.210 -0.000 0.000 0.413 144 N N 1.018 119.793 118.700 0.124 0.000 2.188 144 N HA -0.196 4.557 4.740 0.022 0.000 0.184 144 N C 1.433 177.025 175.510 0.137 0.000 1.018 144 N CA 1.352 54.470 53.050 0.114 0.000 0.858 144 N CB -0.051 38.490 38.487 0.090 0.000 0.989 144 N HN 0.182 8.562 8.380 -0.000 0.000 0.426 145 D N -0.056 120.457 120.400 0.188 0.000 2.123 145 D HA -0.129 4.524 4.640 0.022 0.000 0.196 145 D C 1.760 178.166 176.300 0.176 0.000 0.992 145 D CA 1.377 55.500 54.000 0.204 0.000 0.833 145 D CB -0.569 40.450 40.800 0.366 0.000 0.954 145 D HN 0.402 8.772 8.370 -0.000 0.000 0.455 146 A N 1.132 124.087 122.820 0.225 0.000 1.902 146 A HA -0.184 4.149 4.320 0.022 0.000 0.217 146 A C 1.972 179.786 177.584 0.384 0.000 1.181 146 A CA 1.327 53.554 52.037 0.316 0.000 0.623 146 A CB -0.405 18.747 19.000 0.254 0.000 0.818 146 A HN 0.130 8.280 8.150 -0.000 0.000 0.443 147 N N -0.247 118.592 118.700 0.232 0.000 2.188 147 N HA -0.105 4.648 4.740 0.022 0.000 0.184 147 N C 1.495 176.980 175.510 -0.041 0.000 1.018 147 N CA 1.146 54.231 53.050 0.059 0.000 0.858 147 N CB -0.469 38.063 38.487 0.075 0.000 0.989 147 N HN 0.373 8.752 8.380 -0.000 0.000 0.426 148 L N 1.137 122.376 121.223 0.027 0.000 2.141 148 L HA 0.030 4.383 4.340 0.022 0.000 0.209 148 L C 1.968 178.831 176.870 -0.011 0.000 1.094 148 L CA 1.066 55.911 54.840 0.009 0.000 0.763 148 L CB -0.534 41.548 42.059 0.038 0.000 0.908 148 L HN 0.093 8.323 8.230 -0.000 0.000 0.437 149 L N -1.006 120.223 121.223 0.010 0.000 2.072 149 L HA -0.169 4.184 4.340 0.022 0.000 0.205 149 L C 2.512 179.338 176.870 -0.074 0.000 1.079 149 L CA 1.312 56.162 54.840 0.017 0.000 0.752 149 L CB -0.456 41.667 42.059 0.107 0.000 0.906 149 L HN 0.367 8.597 8.230 -0.000 0.000 0.436 150 E N 0.563 120.598 120.200 -0.275 0.000 2.058 150 E HA -0.278 4.085 4.350 0.022 0.000 0.194 150 E C 2.167 178.677 176.600 -0.151 0.000 0.997 150 E CA 1.323 57.430 56.400 -0.488 0.000 0.801 150 E CB -0.017 28.966 29.700 -1.194 0.000 0.746 150 E HN 0.461 8.821 8.360 -0.000 0.000 0.450 151 A N 0.353 123.122 122.820 -0.086 0.000 2.019 151 A HA -0.181 4.152 4.320 0.022 0.000 0.219 151 A C 2.391 180.000 177.584 0.042 0.000 1.164 151 A CA 1.313 53.376 52.037 0.044 0.000 0.644 151 A CB -0.786 18.213 19.000 -0.001 0.000 0.805 151 A HN 0.519 8.669 8.150 -0.000 0.000 0.449 152 C N -0.836 118.446 119.300 -0.030 0.000 2.435 152 C HA -0.022 4.451 4.460 0.022 0.000 0.279 152 C C 2.482 177.407 174.990 -0.108 0.000 1.321 152 C CA 0.636 59.629 59.018 -0.042 0.000 1.752 152 C CB -1.363 26.357 27.740 -0.034 0.000 1.959 152 C HN 0.653 8.883 8.230 -0.000 0.000 0.500 153 I N 0.030 120.459 120.570 -0.235 0.000 2.113 153 I HA -0.310 3.873 4.170 0.022 0.000 0.242 153 I C 2.168 177.942 176.117 -0.571 0.000 1.064 153 I CA 2.142 63.125 61.300 -0.528 0.000 1.320 153 I CB -0.526 36.942 38.000 -0.886 0.000 1.028 153 I HN 0.353 8.563 8.210 -0.000 0.000 0.406 154 Y N 0.357 120.575 120.300 -0.137 0.000 2.373 154 Y HA -0.047 4.514 4.550 0.018 0.000 0.293 154 Y C 2.620 178.518 175.900 -0.003 0.000 1.129 154 Y CA 0.576 58.628 58.100 -0.080 0.000 1.226 154 Y CB -0.359 38.057 38.460 -0.073 0.000 1.000 154 Y HN 0.030 8.310 8.280 -0.000 0.000 0.549 155 R N 0.116 120.668 120.500 0.087 0.000 2.066 155 R HA -0.101 4.252 4.340 0.022 0.000 0.232 155 R C 2.123 178.474 176.300 0.085 0.000 1.131 155 R CA 1.249 57.395 56.100 0.077 0.000 0.955 155 R CB -0.806 29.521 30.300 0.046 0.000 0.851 155 R HN 0.366 8.636 8.270 -0.000 0.000 0.432 156 L N 1.005 122.255 121.223 0.046 0.000 2.012 156 L HA -0.214 4.139 4.340 0.022 0.000 0.210 156 L C 2.571 179.535 176.870 0.157 0.000 1.073 156 L CA 1.401 56.299 54.840 0.096 0.000 0.748 156 L CB -0.538 41.500 42.059 -0.034 0.000 0.891 156 L HN 0.195 8.425 8.230 -0.000 0.000 0.431 157 L N -0.380 120.887 121.223 0.072 0.000 2.046 157 L HA -0.257 4.096 4.340 0.022 0.000 0.208 157 L C 2.696 179.760 176.870 0.323 0.000 1.077 157 L CA 1.368 56.325 54.840 0.195 0.000 0.747 157 L CB -0.531 41.608 42.059 0.132 0.000 0.896 157 L HN 0.265 8.495 8.230 -0.000 0.000 0.432 158 K N 0.574 121.145 120.400 0.284 0.000 2.044 158 K HA -0.200 4.133 4.320 0.022 0.000 0.210 158 K C 2.124 178.726 176.600 0.004 0.000 1.049 158 K CA 1.487 57.858 56.287 0.140 0.000 0.927 158 K CB -0.111 32.475 32.500 0.144 0.000 0.713 158 K HN 0.213 8.463 8.250 -0.000 0.000 0.443 159 L N -0.700 120.564 121.223 0.067 0.000 2.156 159 L HA -0.151 4.202 4.340 0.022 0.000 0.208 159 L C 1.677 178.464 176.870 -0.138 0.000 1.095 159 L CA 1.065 55.881 54.840 -0.039 0.000 0.770 159 L CB -0.124 41.927 42.059 -0.014 0.000 0.914 159 L HN 0.258 8.488 8.230 -0.000 0.000 0.439 160 Y N -2.928 117.357 120.300 -0.026 0.000 2.535 160 Y HA 0.078 4.640 4.550 0.019 0.000 0.264 160 Y C 1.951 177.833 175.900 -0.030 0.000 1.087 160 Y CA -0.045 58.048 58.100 -0.011 0.000 1.285 160 Y CB 0.230 38.709 38.460 0.032 0.000 1.200 160 Y HN 0.046 8.326 8.280 -0.000 0.000 0.514 161 C N -0.801 118.554 119.300 0.093 0.000 3.243 161 C HA 0.278 4.751 4.460 0.022 0.000 0.286 161 C C 2.351 177.122 174.990 -0.364 0.000 1.373 161 C CA -0.582 58.430 59.018 -0.009 0.000 1.749 161 C CB -0.658 27.238 27.740 0.260 0.000 2.313 161 C HN 0.381 8.611 8.230 -0.000 0.000 0.644 162 R N 2.369 122.519 120.500 -0.582 0.000 2.096 162 R HA -0.108 4.245 4.340 0.022 0.000 0.240 162 R C 1.290 177.227 176.300 -0.605 0.000 1.139 162 R CA 1.584 57.070 56.100 -1.024 0.000 0.952 162 R CB -0.071 29.874 30.300 -0.591 0.000 0.854 162 R HN 0.366 8.636 8.270 -0.000 0.000 0.436 163 E N 0.887 120.882 120.200 -0.342 0.000 2.311 163 E HA 0.055 4.418 4.350 0.022 0.000 0.198 163 E C -0.466 176.007 176.600 -0.213 0.000 1.115 163 E CA 0.146 56.414 56.400 -0.220 0.000 1.140 163 E CB 0.392 30.002 29.700 -0.150 0.000 1.204 163 E HN 0.325 8.685 8.360 -0.000 0.000 0.446 164 Q N 0.456 120.077 119.800 -0.299 0.000 2.309 164 Q HA 0.254 4.607 4.340 0.022 0.000 0.264 164 Q C -1.700 174.105 176.000 -0.324 0.000 1.008 164 Q CA -2.141 53.403 55.803 -0.432 0.000 0.853 164 Q CB 1.801 29.956 28.738 -0.971 0.000 1.314 164 Q HN -0.086 8.184 8.270 -0.000 0.000 0.448 165 P HA -0.123 4.297 4.420 -0.000 0.000 0.228 165 P C 0.566 177.898 177.300 0.053 0.000 1.151 165 P CA 1.245 64.325 63.100 -0.032 0.000 0.770 165 P CB 0.009 31.732 31.700 0.039 0.000 0.786 166 Y N -4.242 116.135 120.300 0.128 0.000 2.457 166 Y HA 0.202 4.771 4.550 0.032 0.000 0.263 166 Y C 2.213 178.185 175.900 0.120 0.000 1.164 166 Y CA -1.259 56.908 58.100 0.112 0.000 1.274 166 Y CB -1.581 36.978 38.460 0.165 0.000 1.097 166 Y HN -0.222 8.058 8.280 -0.000 0.000 0.523 167 Y N 1.609 121.901 120.300 -0.013 0.000 2.081 167 Y HA -0.263 4.284 4.550 -0.005 0.000 0.280 167 Y C 2.172 178.112 175.900 0.066 0.000 1.163 167 Y CA 1.781 59.901 58.100 0.033 0.000 1.135 167 Y CB -0.692 37.742 38.460 -0.044 0.000 0.970 167 Y HN 0.317 8.597 8.280 -0.000 0.000 0.498 168 L N 1.008 122.185 121.223 -0.076 0.000 2.083 168 L HA -0.194 4.159 4.340 0.022 0.000 0.209 168 L C 1.931 178.705 176.870 -0.160 0.000 1.083 168 L CA 1.836 56.556 54.840 -0.198 0.000 0.752 168 L CB -1.114 40.892 42.059 -0.088 0.000 0.899 168 L HN 0.200 8.430 8.230 -0.000 0.000 0.433 169 N N -0.340 118.264 118.700 -0.160 0.000 2.104 169 N HA -0.182 4.571 4.740 0.022 0.000 0.190 169 N C 1.911 177.249 175.510 -0.286 0.000 1.024 169 N CA 1.741 54.555 53.050 -0.393 0.000 0.853 169 N CB -0.354 37.722 38.487 -0.686 0.000 1.008 169 N HN 0.382 8.762 8.380 -0.000 0.000 0.424 170 L N 0.510 121.712 121.223 -0.034 0.000 2.027 170 L HA -0.069 4.284 4.340 0.022 0.000 0.206 170 L C 2.195 179.217 176.870 0.253 0.000 1.074 170 L CA 0.742 55.697 54.840 0.191 0.000 0.745 170 L CB -0.353 41.902 42.059 0.328 0.000 0.898 170 L HN 0.111 8.341 8.230 -0.000 0.000 0.433 171 I N -0.089 120.521 120.570 0.065 0.000 2.127 171 I HA -0.336 3.847 4.170 0.022 0.000 0.241 171 I C 2.487 178.703 176.117 0.166 0.000 1.075 171 I CA 1.567 62.930 61.300 0.105 0.000 1.334 171 I CB -0.323 37.592 38.000 -0.141 0.000 1.040 171 I HN 0.294 8.504 8.210 -0.000 0.000 0.405 172 E N 0.320 120.544 120.200 0.040 0.000 2.160 172 E HA -0.264 4.099 4.350 0.022 0.000 0.195 172 E C 2.091 178.758 176.600 0.111 0.000 0.991 172 E CA 1.205 57.630 56.400 0.042 0.000 0.810 172 E CB -0.170 29.513 29.700 -0.027 0.000 0.742 172 E HN 0.359 8.719 8.360 -0.000 0.000 0.466 173 L N 0.000 121.300 121.223 0.127 0.000 2.027 173 L HA -0.112 4.241 4.340 0.022 0.000 0.206 173 L C 1.994 178.960 176.870 0.161 0.000 1.074 173 L CA 1.586 56.518 54.840 0.153 0.000 0.745 173 L CB -0.452 41.699 42.059 0.152 0.000 0.898 173 L HN -0.034 8.196 8.230 -0.000 0.000 0.433 174 F N -0.463 119.590 119.950 0.171 0.000 2.161 174 F HA -0.213 4.324 4.527 0.018 0.000 0.300 174 F C 2.211 178.182 175.800 0.284 0.000 1.089 174 F CA 1.717 59.845 58.000 0.213 0.000 1.282 174 F CB -0.449 38.631 39.000 0.132 0.000 1.010 174 F HN 0.052 8.352 8.300 -0.000 0.000 0.485 175 L N -0.914 120.569 121.223 0.433 0.000 2.044 175 L HA -0.200 4.153 4.340 0.022 0.000 0.205 175 L C 2.490 179.514 176.870 0.257 0.000 1.075 175 L CA 1.107 56.127 54.840 0.301 0.000 0.747 175 L CB -0.651 41.494 42.059 0.144 0.000 0.903 175 L HN 0.070 8.300 8.230 -0.000 0.000 0.435 176 Q N -0.009 119.913 119.800 0.203 0.000 2.124 176 Q HA -0.145 4.208 4.340 0.022 0.000 0.202 176 Q C 2.295 178.423 176.000 0.214 0.000 0.977 176 Q CA 1.942 57.853 55.803 0.180 0.000 0.850 176 Q CB -0.150 28.657 28.738 0.115 0.000 0.901 176 Q HN 0.324 8.594 8.270 -0.000 0.000 0.429 177 S N -0.405 115.431 115.700 0.226 0.000 2.368 177 S HA -0.129 4.354 4.470 0.022 0.000 0.225 177 S C 2.005 176.796 174.600 0.317 0.000 1.030 177 S CA 1.131 59.481 58.200 0.250 0.000 0.999 177 S CB -0.357 62.989 63.200 0.243 0.000 0.844 177 S HN 0.415 8.725 8.310 -0.000 0.000 0.459 178 S N 0.707 116.657 115.700 0.416 0.000 2.353 178 S HA -0.166 4.317 4.470 0.022 0.000 0.222 178 S C 1.641 176.503 174.600 0.438 0.000 1.035 178 S CA 1.588 60.127 58.200 0.565 0.000 1.025 178 S CB -0.647 62.861 63.200 0.515 0.000 0.902 178 S HN 0.626 8.936 8.310 -0.000 0.000 0.440 179 Y N 2.244 122.680 120.300 0.226 0.000 2.114 179 Y HA -0.294 4.270 4.550 0.024 0.000 0.282 179 Y C 2.467 178.434 175.900 0.112 0.000 1.165 179 Y CA 2.022 60.208 58.100 0.144 0.000 1.148 179 Y CB -0.723 37.790 38.460 0.087 0.000 0.972 179 Y HN 0.271 8.551 8.280 -0.000 0.000 0.504 180 Q N -0.894 118.945 119.800 0.064 0.000 2.061 180 Q HA -0.193 4.160 4.340 0.022 0.000 0.204 180 Q C 2.120 178.153 176.000 0.056 0.000 0.984 180 Q CA 2.607 58.411 55.803 0.001 0.000 0.846 180 Q CB -0.311 28.333 28.738 -0.157 0.000 0.902 180 Q HN 0.482 8.752 8.270 -0.000 0.000 0.421 181 T N 0.583 115.149 114.554 0.020 0.000 2.833 181 T HA -0.134 4.229 4.350 0.022 0.000 0.269 181 T C 1.291 175.879 174.700 -0.187 0.000 1.054 181 T CA 1.340 63.344 62.100 -0.159 0.000 1.135 181 T CB -0.109 68.348 68.868 -0.684 0.000 0.869 181 T HN 0.336 8.576 8.240 -0.000 0.000 0.466 182 E N 0.379 120.531 120.200 -0.080 0.000 2.158 182 E HA 0.022 4.385 4.350 0.022 0.000 0.191 182 E C 2.033 178.549 176.600 -0.141 0.000 0.982 182 E CA 0.350 56.727 56.400 -0.038 0.000 0.823 182 E CB -0.035 29.716 29.700 0.085 0.000 0.766 182 E HN 0.296 8.656 8.360 -0.000 0.000 0.468 183 I N 0.998 121.397 120.570 -0.285 0.000 2.142 183 I HA -0.167 4.016 4.170 0.022 0.000 0.240 183 I C 2.500 178.504 176.117 -0.187 0.000 1.078 183 I CA 1.645 62.746 61.300 -0.332 0.000 1.343 183 I CB -1.550 36.107 38.000 -0.571 0.000 1.046 183 I HN 0.165 8.375 8.210 -0.000 0.000 0.405 184 G N 0.228 108.987 108.800 -0.068 0.000 2.440 184 G HA2 -0.243 3.729 3.960 0.022 0.000 0.218 184 G HA3 -0.243 3.729 3.960 0.022 0.000 0.218 184 G C 1.516 176.409 174.900 -0.012 0.000 1.154 184 G CA 0.301 45.422 45.100 0.035 0.000 0.767 184 G HN 0.372 8.662 8.290 -0.000 0.000 0.552 185 Q N 0.085 119.857 119.800 -0.046 0.000 2.124 185 Q HA -0.080 4.273 4.340 0.022 0.000 0.202 185 Q C 2.806 178.791 176.000 -0.025 0.000 0.977 185 Q CA 1.582 57.360 55.803 -0.041 0.000 0.850 185 Q CB -0.740 27.963 28.738 -0.057 0.000 0.901 185 Q HN 0.435 8.705 8.270 -0.000 0.000 0.429 186 T N 1.786 116.315 114.554 -0.040 0.000 2.746 186 T HA -0.088 4.275 4.350 0.022 0.000 0.267 186 T C 1.955 176.644 174.700 -0.019 0.000 1.039 186 T CA 0.737 62.818 62.100 -0.032 0.000 1.142 186 T CB -0.162 68.673 68.868 -0.055 0.000 0.866 186 T HN 0.181 8.421 8.240 -0.000 0.000 0.444 187 L N 0.555 121.762 121.223 -0.027 0.000 2.156 187 L HA -0.075 4.278 4.340 0.022 0.000 0.208 187 L C 2.447 179.334 176.870 0.028 0.000 1.095 187 L CA 1.228 56.067 54.840 -0.002 0.000 0.770 187 L CB -0.362 41.690 42.059 -0.012 0.000 0.914 187 L HN 0.288 8.518 8.230 -0.000 0.000 0.439 188 D N 0.062 120.474 120.400 0.020 0.000 2.097 188 D HA -0.208 4.445 4.640 0.022 0.000 0.195 188 D C 2.251 178.581 176.300 0.049 0.000 0.989 188 D CA 1.349 55.368 54.000 0.032 0.000 0.827 188 D CB 0.090 40.899 40.800 0.014 0.000 0.966 188 D HN 0.192 8.562 8.370 -0.000 0.000 0.456 189 L N -0.246 120.997 121.223 0.034 0.000 2.095 189 L HA -0.041 4.312 4.340 0.022 0.000 0.204 189 L C 2.591 179.491 176.870 0.050 0.000 1.080 189 L CA 0.361 55.223 54.840 0.036 0.000 0.759 189 L CB -0.371 41.699 42.059 0.018 0.000 0.914 189 L HN 0.161 8.391 8.230 -0.000 0.000 0.439 190 L N -0.389 120.861 121.223 0.045 0.000 1.990 190 L HA -0.242 4.111 4.340 0.022 0.000 0.213 190 L C 2.470 179.389 176.870 0.082 0.000 1.072 190 L CA 1.879 56.749 54.840 0.050 0.000 0.755 190 L CB -0.897 41.185 42.059 0.038 0.000 0.889 190 L HN 0.302 8.532 8.230 -0.000 0.000 0.432 191 T N -0.881 113.741 114.554 0.114 0.000 3.113 191 T HA 0.067 4.430 4.350 0.022 0.000 0.263 191 T C 0.857 175.723 174.700 0.278 0.000 1.143 191 T CA 0.863 63.079 62.100 0.193 0.000 1.090 191 T CB -0.125 68.880 68.868 0.227 0.000 0.922 191 T HN 0.358 8.598 8.240 -0.000 0.000 0.521 192 A N 2.590 125.526 122.820 0.194 0.000 3.248 192 A HA 0.475 4.808 4.320 0.022 0.000 0.315 192 A C -2.636 175.023 177.584 0.125 0.000 0.974 192 A CA -1.513 50.647 52.037 0.204 0.000 0.939 192 A CB 0.366 19.458 19.000 0.154 0.000 1.061 192 A HN 0.143 8.293 8.150 -0.000 0.000 0.481 193 P HA 0.362 4.782 4.420 -0.000 0.000 0.271 193 P C 0.088 177.422 177.300 0.058 0.000 1.216 193 P CA 0.445 63.584 63.100 0.065 0.000 0.771 193 P CB 0.547 32.277 31.700 0.050 0.000 0.864 194 Q N 1.699 121.521 119.800 0.036 0.000 2.364 194 Q HA 0.409 4.762 4.340 0.022 0.000 0.267 194 Q C 1.517 177.529 176.000 0.020 0.000 0.999 194 Q CA 0.249 56.065 55.803 0.022 0.000 0.886 194 Q CB -0.733 28.012 28.738 0.012 0.000 1.243 194 Q HN 0.914 9.184 8.270 -0.000 0.000 0.415 195 G N 0.836 109.644 108.800 0.014 0.000 2.234 195 G HA2 -0.236 3.737 3.960 0.022 0.000 0.260 195 G HA3 -0.236 3.737 3.960 0.022 0.000 0.260 195 G C 0.285 175.193 174.900 0.012 0.000 0.987 195 G CA 0.360 45.466 45.100 0.010 0.000 0.625 195 G HN 0.980 9.270 8.290 -0.000 0.000 0.532 196 N N -0.023 118.689 118.700 0.020 0.000 2.284 196 N HA 0.485 5.238 4.740 0.022 0.000 0.300 196 N C -0.249 175.270 175.510 0.016 0.000 1.047 196 N CA -0.681 52.377 53.050 0.013 0.000 0.821 196 N CB 2.755 41.248 38.487 0.010 0.000 1.337 196 N HN 0.023 8.403 8.380 -0.000 0.000 0.482 197 V N 1.417 121.328 119.914 -0.005 0.000 2.585 197 V HA -0.026 4.106 4.120 0.022 0.000 0.296 197 V C 0.394 176.432 176.094 -0.093 0.000 1.035 197 V CA 0.801 63.081 62.300 -0.034 0.000 1.084 197 V CB 0.578 32.373 31.823 -0.048 0.000 0.953 197 V HN 0.777 8.967 8.190 -0.000 0.000 0.483 198 D N 3.113 123.389 120.400 -0.207 0.000 3.007 198 D HA 0.231 4.884 4.640 0.022 0.000 0.363 198 D C 0.895 176.605 176.300 -0.983 0.000 1.474 198 D CA -0.187 53.573 54.000 -0.400 0.000 0.767 198 D CB 0.227 40.884 40.800 -0.239 0.000 1.227 198 D HN 0.428 8.798 8.370 -0.000 0.000 0.471 199 L N -0.415 120.392 121.223 -0.693 0.000 2.313 199 L HA 0.050 4.403 4.340 0.022 0.000 0.214 199 L C 2.269 178.928 176.870 -0.352 0.000 1.119 199 L CA 0.313 54.734 54.840 -0.698 0.000 0.809 199 L CB -0.102 41.749 42.059 -0.347 0.000 0.933 199 L HN 0.129 8.359 8.230 -0.000 0.000 0.449 200 V N 0.429 120.208 119.914 -0.225 0.000 2.626 200 V HA -0.191 3.942 4.120 0.022 0.000 0.252 200 V C 2.379 178.428 176.094 -0.074 0.000 1.067 200 V CA 1.669 63.919 62.300 -0.082 0.000 1.081 200 V CB -0.347 31.448 31.823 -0.048 0.000 0.686 200 V HN 0.443 8.633 8.190 -0.000 0.000 0.468 201 R N -1.058 119.355 120.500 -0.145 0.000 2.300 201 R HA 0.187 4.540 4.340 0.022 0.000 0.199 201 R C 0.599 177.033 176.300 0.224 0.000 0.920 201 R CA -0.031 56.082 56.100 0.022 0.000 1.046 201 R CB -0.031 30.295 30.300 0.043 0.000 0.984 201 R HN 0.493 8.763 8.270 -0.000 0.000 0.493 202 F N 2.774 122.743 119.950 0.030 0.000 2.678 202 F HA 0.028 4.568 4.527 0.022 0.000 0.358 202 F C 0.870 176.674 175.800 0.007 0.000 1.256 202 F CA -0.439 57.572 58.000 0.018 0.000 1.278 202 F CB -0.195 38.782 39.000 -0.040 0.000 1.681 202 F HN -0.048 8.252 8.300 -0.000 0.000 0.661 203 T N -3.388 111.288 114.554 0.203 0.000 2.945 203 T HA 0.212 4.575 4.350 0.022 0.000 0.286 203 T C 1.101 175.875 174.700 0.124 0.000 1.025 203 T CA -0.904 61.266 62.100 0.118 0.000 1.039 203 T CB 2.299 71.224 68.868 0.095 0.000 1.068 203 T HN 0.199 8.439 8.240 -0.000 0.000 0.497 204 E N 0.731 120.976 120.200 0.075 0.000 2.070 204 E HA -0.182 4.181 4.350 0.022 0.000 0.197 204 E C 2.223 178.923 176.600 0.166 0.000 1.004 204 E CA 1.292 57.756 56.400 0.106 0.000 0.805 204 E CB -0.346 29.388 29.700 0.056 0.000 0.744 204 E HN 0.628 8.988 8.360 -0.000 0.000 0.451 205 K N 0.768 121.240 120.400 0.121 0.000 2.074 205 K HA -0.220 4.113 4.320 0.022 0.000 0.209 205 K C 2.171 178.851 176.600 0.133 0.000 1.048 205 K CA 1.862 58.219 56.287 0.115 0.000 0.926 205 K CB -0.285 32.267 32.500 0.086 0.000 0.713 205 K HN 0.041 8.291 8.250 -0.000 0.000 0.444 206 R N -0.773 119.815 120.500 0.146 0.000 2.062 206 R HA -0.004 4.349 4.340 0.022 0.000 0.229 206 R C 2.176 178.574 176.300 0.164 0.000 1.128 206 R CA 2.102 58.291 56.100 0.149 0.000 0.960 206 R CB -1.322 29.076 30.300 0.165 0.000 0.855 206 R HN 0.606 8.876 8.270 -0.000 0.000 0.432 207 Y N 1.455 121.808 120.300 0.089 0.000 2.165 207 Y HA -0.228 4.336 4.550 0.022 0.000 0.286 207 Y C 1.624 177.587 175.900 0.105 0.000 1.155 207 Y CA 2.207 60.358 58.100 0.086 0.000 1.164 207 Y CB -0.011 38.494 38.460 0.074 0.000 0.978 207 Y HN 0.051 8.331 8.280 -0.000 0.000 0.513 208 K N -0.492 120.007 120.400 0.164 0.000 2.057 208 K HA -0.139 4.194 4.320 0.022 0.000 0.207 208 K C 2.229 178.849 176.600 0.033 0.000 1.049 208 K CA 1.609 57.955 56.287 0.098 0.000 0.931 208 K CB -0.305 32.284 32.500 0.149 0.000 0.714 208 K HN 0.253 8.503 8.250 -0.000 0.000 0.440 209 S N 1.637 117.390 115.700 0.089 0.000 2.356 209 S HA -0.117 4.366 4.470 0.022 0.000 0.223 209 S C 2.090 176.798 174.600 0.182 0.000 1.032 209 S CA 1.154 59.456 58.200 0.169 0.000 1.005 209 S CB -0.329 62.973 63.200 0.169 0.000 0.867 209 S HN 0.195 8.505 8.310 -0.000 0.000 0.449 210 I N 1.856 122.460 120.570 0.058 0.000 2.163 210 I HA -0.198 3.985 4.170 0.022 0.000 0.243 210 I C 2.519 178.632 176.117 -0.006 0.000 1.085 210 I CA 1.420 62.735 61.300 0.024 0.000 1.347 210 I CB -0.637 37.335 38.000 -0.047 0.000 1.044 210 I HN 0.288 8.498 8.210 -0.000 0.000 0.408 211 V N -1.114 118.705 119.914 -0.158 0.000 2.488 211 V HA -0.186 3.947 4.120 0.022 0.000 0.246 211 V C 2.457 178.527 176.094 -0.041 0.000 1.046 211 V CA 1.520 63.731 62.300 -0.148 0.000 1.053 211 V CB -0.827 30.792 31.823 -0.341 0.000 0.679 211 V HN 0.370 8.560 8.190 -0.000 0.000 0.458 212 K N -0.407 119.955 120.400 -0.062 0.000 2.034 212 K HA -0.257 4.076 4.320 0.022 0.000 0.214 212 K C 2.100 178.621 176.600 -0.131 0.000 1.051 212 K CA 2.737 58.911 56.287 -0.188 0.000 0.931 212 K CB -0.532 31.836 32.500 -0.221 0.000 0.715 212 K HN 0.619 8.869 8.250 -0.000 0.000 0.446 213 Y N 0.406 120.812 120.300 0.176 0.000 2.206 213 Y HA -0.088 4.474 4.550 0.021 0.000 0.292 213 Y C 2.301 178.317 175.900 0.193 0.000 1.123 213 Y CA 1.693 59.967 58.100 0.291 0.000 1.142 213 Y CB 0.054 38.597 38.460 0.139 0.000 1.006 213 Y HN 0.174 8.454 8.280 -0.000 0.000 0.518 214 K N -1.557 118.981 120.400 0.231 0.000 2.366 214 K HA 0.037 4.370 4.320 0.022 0.000 0.198 214 K C 0.969 177.688 176.600 0.199 0.000 1.044 214 K CA 1.743 58.099 56.287 0.116 0.000 0.973 214 K CB 0.027 32.554 32.500 0.045 0.000 0.767 214 K HN 0.078 8.328 8.250 -0.000 0.000 0.475 215 T N -0.520 114.176 114.554 0.236 0.000 3.176 215 T HA 0.257 4.620 4.350 0.022 0.000 0.259 215 T C 1.777 176.612 174.700 0.224 0.000 0.978 215 T CA 0.251 62.527 62.100 0.293 0.000 1.050 215 T CB 0.161 69.175 68.868 0.243 0.000 1.136 215 T HN 0.268 8.508 8.240 -0.000 0.000 0.465 216 A N 0.976 123.876 122.820 0.133 0.000 1.898 216 A HA 0.081 4.414 4.320 0.022 0.000 0.216 216 A C 1.870 179.503 177.584 0.083 0.000 1.181 216 A CA 1.405 53.472 52.037 0.051 0.000 0.620 216 A CB -1.071 17.814 19.000 -0.191 0.000 0.819 216 A HN 0.449 8.599 8.150 -0.000 0.000 0.442 217 F N -0.977 119.051 119.950 0.130 0.000 2.069 217 F HA -0.252 4.288 4.527 0.022 0.000 0.298 217 F C 2.443 178.388 175.800 0.242 0.000 1.113 217 F CA 2.131 60.246 58.000 0.192 0.000 1.214 217 F CB -0.652 38.438 39.000 0.150 0.000 0.978 217 F HN 0.553 8.853 8.300 -0.000 0.000 0.474 218 Y N -1.397 119.077 120.300 0.289 0.000 2.420 218 Y HA 0.089 4.651 4.550 0.020 0.000 0.292 218 Y C 2.007 177.933 175.900 0.044 0.000 1.119 218 Y CA 0.922 59.115 58.100 0.155 0.000 1.229 218 Y CB -0.862 37.690 38.460 0.153 0.000 1.026 218 Y HN -0.123 8.157 8.280 -0.000 0.000 0.554 219 S N -0.368 114.906 115.700 -0.710 0.000 2.458 219 S HA 0.130 4.613 4.470 0.022 0.000 0.223 219 S C 0.926 174.985 174.600 -0.901 0.000 1.019 219 S CA 0.872 58.532 58.200 -0.900 0.000 0.937 219 S CB -0.214 62.490 63.200 -0.828 0.000 0.788 219 S HN 0.491 8.801 8.310 -0.000 0.000 0.511 220 F N -1.556 118.257 119.950 -0.228 0.000 2.463 220 F HA 0.315 4.855 4.527 0.021 0.000 0.271 220 F C 1.843 177.617 175.800 -0.043 0.000 0.888 220 F CA -0.425 57.491 58.000 -0.141 0.000 1.149 220 F CB -0.521 38.413 39.000 -0.110 0.000 1.071 220 F HN 0.046 8.346 8.300 -0.000 0.000 0.802 221 Y N 1.297 121.660 120.300 0.106 0.000 2.109 221 Y HA -0.180 4.382 4.550 0.020 0.000 0.285 221 Y C 2.318 178.245 175.900 0.044 0.000 1.131 221 Y CA 1.601 59.754 58.100 0.088 0.000 1.121 221 Y CB -0.838 37.705 38.460 0.137 0.000 0.987 221 Y HN 0.056 8.336 8.280 -0.000 0.000 0.495 222 L N 1.492 122.622 121.223 -0.154 0.000 2.021 222 L HA -0.149 4.204 4.340 0.022 0.000 0.215 222 L C -0.856 175.810 176.870 -0.341 0.000 1.074 222 L CA 2.411 57.071 54.840 -0.300 0.000 0.760 222 L CB -1.868 40.105 42.059 -0.143 0.000 0.889 222 L HN 0.157 8.387 8.230 -0.000 0.000 0.433 223 P HA -0.144 4.276 4.420 -0.000 0.000 0.216 223 P C 2.152 179.305 177.300 -0.245 0.000 1.153 223 P CA 1.510 64.464 63.100 -0.243 0.000 0.848 223 P CB -0.176 31.370 31.700 -0.257 0.000 0.787 224 I N 0.037 120.448 120.570 -0.265 0.000 2.202 224 I HA -0.169 4.014 4.170 0.022 0.000 0.242 224 I C 2.395 178.332 176.117 -0.301 0.000 1.091 224 I CA 1.600 62.736 61.300 -0.273 0.000 1.368 224 I CB -1.755 36.097 38.000 -0.246 0.000 1.058 224 I HN -0.084 8.126 8.210 -0.000 0.000 0.410 225 A N 1.031 123.605 122.820 -0.411 0.000 1.940 225 A HA -0.180 4.153 4.320 0.022 0.000 0.219 225 A C 2.567 180.030 177.584 -0.202 0.000 1.176 225 A CA 2.083 53.865 52.037 -0.426 0.000 0.631 225 A CB -0.727 17.767 19.000 -0.843 0.000 0.814 225 A HN 0.442 8.592 8.150 -0.000 0.000 0.446 226 A N -0.334 122.399 122.820 -0.145 0.000 1.933 226 A HA 0.164 4.496 4.320 0.022 0.000 0.218 226 A C 2.472 180.041 177.584 -0.024 0.000 1.175 226 A CA 2.081 54.122 52.037 0.007 0.000 0.628 226 A CB -0.878 18.110 19.000 -0.021 0.000 0.814 226 A HN 1.051 9.201 8.150 -0.000 0.000 0.444 227 A N -0.874 121.891 122.820 -0.092 0.000 1.929 227 A HA 0.032 4.365 4.320 0.022 0.000 0.216 227 A C 2.213 179.765 177.584 -0.054 0.000 1.176 227 A CA 1.525 53.533 52.037 -0.049 0.000 0.628 227 A CB -0.473 18.486 19.000 -0.068 0.000 0.816 227 A HN 0.505 8.655 8.150 -0.000 0.000 0.444 228 M N -1.711 117.799 119.600 -0.151 0.000 2.065 228 M HA -0.187 4.306 4.480 0.022 0.000 0.259 228 M C 2.163 178.426 176.300 -0.061 0.000 1.071 228 M CA 2.001 57.189 55.300 -0.187 0.000 1.109 228 M CB -0.744 31.612 32.600 -0.407 0.000 1.313 228 M HN 0.560 8.850 8.290 -0.000 0.000 0.408 229 Y N -0.092 120.245 120.300 0.062 0.000 2.139 229 Y HA -0.314 4.256 4.550 0.033 0.000 0.282 229 Y C 2.444 178.281 175.900 -0.104 0.000 1.179 229 Y CA 1.269 59.407 58.100 0.062 0.000 1.161 229 Y CB -0.419 38.087 38.460 0.077 0.000 0.970 229 Y HN 0.260 8.540 8.280 -0.000 0.000 0.511 230 M N -0.962 118.523 119.600 -0.191 0.000 2.296 230 M HA -0.116 4.377 4.480 0.022 0.000 0.265 230 M C 2.063 178.363 176.300 -0.000 0.000 1.064 230 M CA 1.268 56.226 55.300 -0.571 0.000 1.109 230 M CB -0.099 32.202 32.600 -0.499 0.000 1.396 230 M HN 0.248 8.538 8.290 -0.000 0.000 0.430 231 A N -0.137 122.708 122.820 0.042 0.000 2.251 231 A HA 0.422 4.755 4.320 0.022 0.000 0.209 231 A C 1.610 179.226 177.584 0.054 0.000 1.187 231 A CA 0.630 52.670 52.037 0.005 0.000 0.823 231 A CB -0.779 18.165 19.000 -0.094 0.000 0.846 231 A HN 0.628 8.778 8.150 -0.000 0.000 0.486 232 G N -0.565 108.315 108.800 0.133 0.000 2.143 232 G HA2 -0.220 3.753 3.960 0.022 0.000 0.248 232 G HA3 -0.220 3.753 3.960 0.022 0.000 0.248 232 G C 0.063 175.050 174.900 0.145 0.000 0.991 232 G CA 0.290 45.491 45.100 0.168 0.000 0.689 232 G HN 0.545 8.835 8.290 -0.000 0.000 0.522 233 I N 1.547 122.185 120.570 0.112 0.000 2.287 233 I HA 0.330 4.513 4.170 0.022 0.000 0.290 233 I C 0.394 176.633 176.117 0.204 0.000 1.069 233 I CA -0.092 61.257 61.300 0.080 0.000 1.237 233 I CB 0.805 38.773 38.000 -0.053 0.000 1.418 233 I HN 0.249 8.459 8.210 -0.000 0.000 0.481 234 D N 2.727 123.298 120.400 0.284 0.000 2.503 234 D HA 0.129 4.782 4.640 0.022 0.000 0.218 234 D C 0.955 177.444 176.300 0.315 0.000 1.183 234 D CA -0.334 53.907 54.000 0.401 0.000 0.827 234 D CB 0.432 41.494 40.800 0.436 0.000 1.034 234 D HN 0.419 8.789 8.370 -0.000 0.000 0.510 235 G N 0.241 109.189 108.800 0.248 0.000 2.414 235 G HA2 0.088 4.061 3.960 0.022 0.000 0.236 235 G HA3 0.088 4.061 3.960 0.022 0.000 0.236 235 G C 0.761 175.800 174.900 0.231 0.000 1.293 235 G CA -0.364 44.848 45.100 0.187 0.000 0.869 235 G HN 0.015 8.305 8.290 -0.000 0.000 0.556 236 E N 1.678 121.973 120.200 0.157 0.000 2.107 236 E HA -0.090 4.273 4.350 0.022 0.000 0.191 236 E C 3.101 179.776 176.600 0.125 0.000 0.982 236 E CA 1.925 58.411 56.400 0.143 0.000 0.809 236 E CB -0.266 29.491 29.700 0.094 0.000 0.756 236 E HN 0.782 9.142 8.360 -0.000 0.000 0.459 237 K N 0.681 121.137 120.400 0.093 0.000 2.097 237 K HA -0.133 4.200 4.320 0.022 0.000 0.205 237 K C 1.964 178.599 176.600 0.059 0.000 1.050 237 K CA 1.815 58.141 56.287 0.064 0.000 0.938 237 K CB -0.758 31.775 32.500 0.055 0.000 0.718 237 K HN 0.533 8.783 8.250 -0.000 0.000 0.442 238 E N -0.639 119.602 120.200 0.069 0.000 2.106 238 E HA -0.112 4.251 4.350 0.022 0.000 0.192 238 E C 2.139 178.718 176.600 -0.034 0.000 0.984 238 E CA 0.977 57.386 56.400 0.014 0.000 0.806 238 E CB -0.063 29.633 29.700 -0.007 0.000 0.750 238 E HN 0.661 9.021 8.360 -0.000 0.000 0.458 239 H N -0.308 118.783 119.070 0.035 0.000 2.403 239 H HA 0.091 4.661 4.556 0.024 0.000 0.298 239 H C 2.134 177.494 175.328 0.054 0.000 1.059 239 H CA 1.175 57.273 56.048 0.083 0.000 1.363 239 H CB 0.117 29.944 29.762 0.108 0.000 1.410 239 H HN 0.182 8.462 8.280 -0.000 0.000 0.528 240 A N 1.427 124.304 122.820 0.095 0.000 1.933 240 A HA -0.178 4.155 4.320 0.022 0.000 0.218 240 A C 2.201 179.692 177.584 -0.154 0.000 1.175 240 A CA 1.412 53.425 52.037 -0.041 0.000 0.628 240 A CB -0.217 18.763 19.000 -0.034 0.000 0.814 240 A HN 0.345 8.495 8.150 -0.000 0.000 0.444 241 N N 0.525 119.149 118.700 -0.127 0.000 2.106 241 N HA -0.079 4.674 4.740 0.022 0.000 0.188 241 N C 1.944 177.327 175.510 -0.212 0.000 1.029 241 N CA 1.617 54.526 53.050 -0.235 0.000 0.848 241 N CB -0.668 37.795 38.487 -0.040 0.000 1.007 241 N HN 0.426 8.806 8.380 -0.000 0.000 0.423 242 A N 1.247 124.048 122.820 -0.033 0.000 1.908 242 A HA -0.197 4.136 4.320 0.022 0.000 0.218 242 A C 2.172 179.799 177.584 0.073 0.000 1.181 242 A CA 1.618 53.723 52.037 0.113 0.000 0.627 242 A CB -0.537 18.599 19.000 0.226 0.000 0.818 242 A HN 0.290 8.440 8.150 -0.000 0.000 0.445 243 K N -0.487 119.911 120.400 -0.004 0.000 2.057 243 K HA -0.206 4.127 4.320 0.022 0.000 0.207 243 K C 2.042 178.499 176.600 -0.238 0.000 1.049 243 K CA 1.788 57.975 56.287 -0.167 0.000 0.931 243 K CB -0.122 32.163 32.500 -0.358 0.000 0.714 243 K HN 0.345 8.595 8.250 -0.000 0.000 0.440 244 K N 0.678 120.876 120.400 -0.338 0.000 2.044 244 K HA -0.127 4.206 4.320 0.022 0.000 0.210 244 K C 1.908 178.329 176.600 -0.299 0.000 1.049 244 K CA 1.694 57.738 56.287 -0.405 0.000 0.927 244 K CB -0.150 31.865 32.500 -0.808 0.000 0.713 244 K HN 0.150 8.400 8.250 -0.000 0.000 0.443 245 I N 0.171 120.561 120.570 -0.300 0.000 2.202 245 I HA -0.258 3.925 4.170 0.022 0.000 0.242 245 I C 1.937 177.947 176.117 -0.178 0.000 1.091 245 I CA 1.135 62.268 61.300 -0.279 0.000 1.368 245 I CB -0.162 37.553 38.000 -0.475 0.000 1.058 245 I HN 0.072 8.282 8.210 -0.000 0.000 0.410 246 L N -0.052 121.131 121.223 -0.067 0.000 2.156 246 L HA -0.143 4.210 4.340 0.022 0.000 0.208 246 L C 2.417 179.225 176.870 -0.104 0.000 1.095 246 L CA 0.893 55.751 54.840 0.029 0.000 0.770 246 L CB -0.385 41.816 42.059 0.236 0.000 0.914 246 L HN 0.249 8.479 8.230 -0.000 0.000 0.439 247 L N -0.822 120.295 121.223 -0.177 0.000 2.027 247 L HA -0.152 4.201 4.340 0.022 0.000 0.206 247 L C 2.691 179.432 176.870 -0.215 0.000 1.074 247 L CA 1.034 55.714 54.840 -0.267 0.000 0.745 247 L CB -0.595 41.234 42.059 -0.382 0.000 0.898 247 L HN 0.257 8.487 8.230 -0.000 0.000 0.433 248 E N -0.056 120.041 120.200 -0.170 0.000 2.118 248 E HA -0.282 4.081 4.350 0.022 0.000 0.195 248 E C 2.162 178.683 176.600 -0.132 0.000 0.992 248 E CA 1.496 57.837 56.400 -0.097 0.000 0.804 248 E CB -0.179 29.473 29.700 -0.080 0.000 0.741 248 E HN 0.477 8.837 8.360 -0.000 0.000 0.458 249 M N -0.223 119.208 119.600 -0.282 0.000 2.175 249 M HA -0.096 4.397 4.480 0.022 0.000 0.264 249 M C 2.169 178.007 176.300 -0.770 0.000 1.063 249 M CA 1.574 56.597 55.300 -0.461 0.000 1.119 249 M CB -0.237 32.045 32.600 -0.531 0.000 1.377 249 M HN 0.108 8.398 8.290 -0.000 0.000 0.415 250 G N -0.307 107.990 108.800 -0.840 0.000 2.418 250 G HA2 -0.267 3.706 3.960 0.022 0.000 0.217 250 G HA3 -0.267 3.706 3.960 0.022 0.000 0.217 250 G C 1.250 176.131 174.900 -0.032 0.000 1.158 250 G CA 1.082 45.914 45.100 -0.447 0.000 0.771 250 G HN 0.578 8.868 8.290 -0.000 0.000 0.545 251 E N -0.350 119.845 120.200 -0.009 0.000 2.038 251 E HA -0.203 4.160 4.350 0.022 0.000 0.195 251 E C 2.105 178.834 176.600 0.215 0.000 1.000 251 E CA 1.085 57.550 56.400 0.108 0.000 0.803 251 E CB -0.343 29.438 29.700 0.135 0.000 0.750 251 E HN 0.358 8.718 8.360 -0.000 0.000 0.448 252 F N 0.502 120.508 119.950 0.093 0.000 2.115 252 F HA -0.272 4.268 4.527 0.021 0.000 0.300 252 F C 1.992 177.900 175.800 0.181 0.000 1.092 252 F CA 1.891 59.989 58.000 0.163 0.000 1.245 252 F CB -0.497 38.563 39.000 0.101 0.000 0.995 252 F HN 0.141 8.441 8.300 -0.000 0.000 0.481 253 F N 0.882 120.860 119.950 0.046 0.000 2.186 253 F HA -0.149 4.392 4.527 0.023 0.000 0.299 253 F C 2.478 178.294 175.800 0.027 0.000 1.090 253 F CA 1.802 59.832 58.000 0.050 0.000 1.307 253 F CB -0.670 38.499 39.000 0.282 0.000 1.019 253 F HN 0.087 8.387 8.300 -0.000 0.000 0.489 254 Q N 0.696 120.577 119.800 0.134 0.000 2.123 254 Q HA -0.078 4.275 4.340 0.022 0.000 0.199 254 Q C 2.090 178.112 176.000 0.037 0.000 0.966 254 Q CA 1.780 57.626 55.803 0.071 0.000 0.845 254 Q CB -0.451 28.355 28.738 0.114 0.000 0.907 254 Q HN 0.570 8.840 8.270 -0.000 0.000 0.439 255 I N 0.131 120.707 120.570 0.011 0.000 2.179 255 I HA -0.340 3.843 4.170 0.022 0.000 0.242 255 I C 2.307 178.308 176.117 -0.194 0.000 1.088 255 I CA 1.418 62.633 61.300 -0.143 0.000 1.357 255 I CB -0.352 37.336 38.000 -0.520 0.000 1.051 255 I HN 0.331 8.541 8.210 -0.000 0.000 0.409 256 Q N 0.339 119.998 119.800 -0.235 0.000 2.096 256 Q HA -0.308 4.045 4.340 0.022 0.000 0.204 256 Q C 1.825 177.707 176.000 -0.197 0.000 0.982 256 Q CA 2.322 58.006 55.803 -0.198 0.000 0.850 256 Q CB -0.277 28.265 28.738 -0.326 0.000 0.901 256 Q HN 0.488 8.758 8.270 -0.000 0.000 0.422 257 D N 0.335 120.590 120.400 -0.241 0.000 2.144 257 D HA -0.175 4.478 4.640 0.022 0.000 0.199 257 D C 1.203 177.454 176.300 -0.082 0.000 0.984 257 D CA 1.310 55.198 54.000 -0.186 0.000 0.834 257 D CB 0.058 40.745 40.800 -0.187 0.000 0.955 257 D HN 0.129 8.499 8.370 -0.000 0.000 0.465 258 D N -1.065 119.319 120.400 -0.026 0.000 2.149 258 D HA -0.154 4.499 4.640 0.022 0.000 0.201 258 D C 1.599 177.890 176.300 -0.015 0.000 0.972 258 D CA 0.628 54.644 54.000 0.028 0.000 0.835 258 D CB -0.510 40.376 40.800 0.144 0.000 0.966 258 D HN 0.384 8.754 8.370 -0.000 0.000 0.476 259 Y N 1.303 121.471 120.300 -0.220 0.000 2.181 259 Y HA -0.123 4.440 4.550 0.021 0.000 0.288 259 Y C 2.021 177.823 175.900 -0.164 0.000 1.146 259 Y CA 1.307 59.223 58.100 -0.306 0.000 1.164 259 Y CB -0.239 37.600 38.460 -1.035 0.000 0.982 259 Y HN -0.094 8.186 8.280 -0.000 0.000 0.515 260 L N -0.172 120.974 121.223 -0.128 0.000 2.156 260 L HA -0.155 4.198 4.340 0.022 0.000 0.208 260 L C 2.107 178.883 176.870 -0.156 0.000 1.095 260 L CA 1.507 56.270 54.840 -0.127 0.000 0.770 260 L CB -0.654 41.376 42.059 -0.049 0.000 0.914 260 L HN 0.218 8.448 8.230 -0.000 0.000 0.439 261 D N 0.401 120.719 120.400 -0.137 0.000 2.133 261 D HA -0.269 4.384 4.640 0.022 0.000 0.192 261 D C 1.974 178.154 176.300 -0.199 0.000 1.001 261 D CA 1.605 55.528 54.000 -0.128 0.000 0.844 261 D CB 0.145 40.891 40.800 -0.090 0.000 0.944 261 D HN 0.146 8.516 8.370 -0.000 0.000 0.447 262 L N -1.625 119.409 121.223 -0.316 0.000 2.316 262 L HA 0.278 4.631 4.340 0.022 0.000 0.207 262 L C 1.072 177.575 176.870 -0.611 0.000 1.070 262 L CA 1.076 55.617 54.840 -0.498 0.000 0.820 262 L CB -0.053 41.612 42.059 -0.657 0.000 0.992 262 L HN 0.057 8.287 8.230 -0.000 0.000 0.466 263 F N -0.387 119.299 119.950 -0.441 0.000 2.653 263 F HA 0.436 4.976 4.527 0.021 0.000 0.304 263 F C 1.246 176.844 175.800 -0.338 0.000 1.092 263 F CA -0.204 57.502 58.000 -0.490 0.000 1.279 263 F CB 0.167 38.589 39.000 -0.964 0.000 1.044 263 F HN 0.102 8.402 8.300 -0.000 0.000 0.564 264 G N -0.479 108.251 108.800 -0.118 0.000 2.462 264 G HA2 0.211 4.184 3.960 0.022 0.000 0.319 264 G HA3 0.211 4.184 3.960 0.022 0.000 0.319 264 G C -1.511 173.374 174.900 -0.025 0.000 1.171 264 G CA -0.322 44.756 45.100 -0.036 0.000 0.920 264 G HN -0.073 8.217 8.290 -0.000 0.000 0.499 265 D N 0.644 121.043 120.400 -0.002 0.000 2.347 265 D HA 0.263 4.916 4.640 0.022 0.000 0.235 265 D C -1.126 175.168 176.300 -0.009 0.000 1.149 265 D CA -2.289 51.709 54.000 -0.002 0.000 0.850 265 D CB 1.968 42.774 40.800 0.010 0.000 1.061 265 D HN -0.003 8.367 8.370 -0.000 0.000 0.487 266 P HA -0.144 4.276 4.420 -0.000 0.000 0.225 266 P C 1.190 178.486 177.300 -0.006 0.000 1.148 266 P CA 0.714 63.805 63.100 -0.014 0.000 0.779 266 P CB 0.200 31.889 31.700 -0.018 0.000 0.780 267 S N -1.118 114.580 115.700 -0.003 0.000 2.406 267 S HA -0.047 4.436 4.470 0.022 0.000 0.228 267 S C 1.905 176.506 174.600 0.002 0.000 1.020 267 S CA 0.885 59.086 58.200 0.000 0.000 0.965 267 S CB -1.326 61.875 63.200 0.002 0.000 0.798 267 S HN -0.026 8.284 8.310 -0.000 0.000 0.488 268 V N 2.647 122.562 119.914 0.003 0.000 2.300 268 V HA -0.071 4.062 4.120 0.022 0.000 0.241 268 V C 3.209 179.304 176.094 0.002 0.000 1.034 268 V CA 1.980 64.284 62.300 0.006 0.000 1.021 268 V CB -1.443 30.387 31.823 0.011 0.000 0.662 268 V HN 0.825 9.015 8.190 -0.000 0.000 0.458 269 T N -1.567 112.985 114.554 -0.002 0.000 2.915 269 T HA 0.057 4.420 4.350 0.022 0.000 0.269 269 T C 1.625 176.321 174.700 -0.007 0.000 1.071 269 T CA 1.413 63.509 62.100 -0.007 0.000 1.132 269 T CB -0.124 68.734 68.868 -0.016 0.000 0.878 269 T HN 1.193 9.433 8.240 -0.000 0.000 0.479 270 G N 1.827 110.624 108.800 -0.005 0.000 2.143 270 G HA2 -0.245 3.728 3.960 0.022 0.000 0.249 270 G HA3 -0.245 3.728 3.960 0.022 0.000 0.249 270 G C -0.104 174.798 174.900 0.004 0.000 0.981 270 G CA 0.422 45.520 45.100 -0.004 0.000 0.665 270 G HN 1.057 9.347 8.290 -0.000 0.000 0.528 271 K N -0.648 119.753 120.400 0.002 0.000 2.543 271 K HA 0.707 5.040 4.320 0.022 0.000 0.255 271 K C -0.696 175.901 176.600 -0.004 0.000 0.934 271 K CA -1.418 54.874 56.287 0.009 0.000 0.810 271 K CB 1.741 34.252 32.500 0.018 0.000 1.315 271 K HN -0.043 8.207 8.250 -0.000 0.000 0.433 272 I N 2.315 122.885 120.570 -0.000 0.000 2.441 272 I HA 0.217 4.400 4.170 0.022 0.000 0.287 272 I C 1.084 177.187 176.117 -0.024 0.000 1.049 272 I CA -0.089 61.201 61.300 -0.016 0.000 1.381 272 I CB 0.545 38.538 38.000 -0.011 0.000 1.409 272 I HN 0.855 9.065 8.210 -0.000 0.000 0.523 273 G N 3.582 112.352 108.800 -0.051 0.000 2.483 273 G HA2 0.415 4.388 3.960 0.022 0.000 0.248 273 G HA3 0.415 4.388 3.960 0.022 0.000 0.248 273 G C 0.469 175.331 174.900 -0.063 0.000 1.248 273 G CA 0.086 45.148 45.100 -0.065 0.000 0.838 273 G HN 0.785 9.075 8.290 -0.000 0.000 0.566 274 T N -2.114 112.405 114.554 -0.059 0.000 3.253 274 T HA 0.138 4.501 4.350 0.022 0.000 0.299 274 T C 0.744 175.394 174.700 -0.083 0.000 0.927 274 T CA 0.074 62.137 62.100 -0.062 0.000 0.926 274 T CB 0.437 69.288 68.868 -0.028 0.000 1.183 274 T HN 0.271 8.511 8.240 -0.000 0.000 0.557 275 D N 2.207 122.558 120.400 -0.081 0.000 2.084 275 D HA 0.042 4.695 4.640 0.022 0.000 0.194 275 D C 1.916 178.116 176.300 -0.166 0.000 0.990 275 D CA 1.031 54.988 54.000 -0.072 0.000 0.826 275 D CB -0.164 40.624 40.800 -0.019 0.000 0.971 275 D HN 0.431 8.801 8.370 -0.000 0.000 0.453 276 I N 1.436 121.860 120.570 -0.243 0.000 2.208 276 I HA -0.281 3.902 4.170 0.022 0.000 0.245 276 I C 2.480 178.260 176.117 -0.560 0.000 1.097 276 I CA 1.030 61.992 61.300 -0.563 0.000 1.363 276 I CB -0.321 37.447 38.000 -0.387 0.000 1.051 276 I HN 0.101 8.311 8.210 -0.000 0.000 0.413 277 Q N -0.033 119.587 119.800 -0.299 0.000 2.230 277 Q HA -0.157 4.196 4.340 0.022 0.000 0.202 277 Q C 0.782 176.686 176.000 -0.160 0.000 0.963 277 Q CA 1.237 56.914 55.803 -0.211 0.000 0.866 277 Q CB -0.580 28.077 28.738 -0.135 0.000 0.931 277 Q HN 0.465 8.735 8.270 -0.000 0.000 0.452 278 D N 1.098 121.416 120.400 -0.137 0.000 2.349 278 D HA -0.008 4.645 4.640 0.022 0.000 0.224 278 D C -0.010 176.267 176.300 -0.038 0.000 1.029 278 D CA 0.212 54.172 54.000 -0.067 0.000 0.879 278 D CB -0.321 40.458 40.800 -0.035 0.000 0.906 278 D HN 0.220 8.590 8.370 -0.000 0.000 0.528 279 N N 0.578 119.211 118.700 -0.111 0.000 2.776 279 N HA -0.168 4.585 4.740 0.022 0.000 0.249 279 N C -0.825 174.870 175.510 0.308 0.000 1.111 279 N CA 0.475 53.584 53.050 0.098 0.000 0.711 279 N CB -0.566 38.029 38.487 0.179 0.000 1.065 279 N HN 0.058 8.438 8.380 -0.000 0.000 0.556 280 K N -0.029 120.442 120.400 0.118 0.000 2.118 280 K HA 0.267 4.600 4.320 0.022 0.000 0.264 280 K C 0.238 176.684 176.600 -0.256 0.000 1.000 280 K CA -0.403 55.897 56.287 0.022 0.000 0.929 280 K CB 1.200 33.706 32.500 0.010 0.000 1.021 280 K HN 0.274 8.524 8.250 -0.000 0.000 0.463 281 C N 3.024 122.112 119.300 -0.354 0.000 2.756 281 C HA 0.124 4.597 4.460 0.022 0.000 0.504 281 C C 0.930 175.873 174.990 -0.077 0.000 1.028 281 C CA -0.137 58.542 59.018 -0.565 0.000 1.167 281 C CB -1.931 25.698 27.740 -0.185 0.000 1.444 281 C HN 0.636 8.866 8.230 -0.000 0.000 0.577 282 S N 2.392 118.036 115.700 -0.094 0.000 2.601 282 S HA 0.163 4.646 4.470 0.022 0.000 0.271 282 S C 0.738 175.291 174.600 -0.077 0.000 1.305 282 S CA -0.481 57.762 58.200 0.073 0.000 1.022 282 S CB 0.383 63.618 63.200 0.058 0.000 0.940 282 S HN 0.887 9.197 8.310 -0.000 0.000 0.525 283 W N 4.396 125.494 121.300 -0.336 0.000 2.305 283 W HA -0.200 4.473 4.660 0.022 0.000 0.308 283 W C 1.565 177.819 176.519 -0.441 0.000 1.226 283 W CA 1.663 58.567 57.345 -0.736 0.000 1.253 283 W CB -0.495 28.616 29.460 -0.582 0.000 1.146 283 W HN 0.759 8.939 8.180 -0.000 0.000 0.507 284 L N -0.802 120.290 121.223 -0.218 0.000 2.042 284 L HA -0.263 4.090 4.340 0.022 0.000 0.210 284 L C 2.415 178.908 176.870 -0.628 0.000 1.076 284 L CA 1.554 56.112 54.840 -0.469 0.000 0.749 284 L CB -1.451 40.353 42.059 -0.424 0.000 0.893 284 L HN -0.030 8.200 8.230 -0.000 0.000 0.432 285 V N -0.900 118.783 119.914 -0.385 0.000 2.407 285 V HA -0.164 3.969 4.120 0.022 0.000 0.245 285 V C 2.388 178.318 176.094 -0.273 0.000 1.041 285 V CA 1.151 63.286 62.300 -0.275 0.000 1.040 285 V CB 0.477 32.099 31.823 -0.336 0.000 0.671 285 V HN 0.159 8.349 8.190 -0.000 0.000 0.455 286 V N 0.438 120.149 119.914 -0.340 0.000 2.250 286 V HA -0.326 3.807 4.120 0.022 0.000 0.250 286 V C 2.659 178.529 176.094 -0.373 0.000 1.060 286 V CA 2.526 64.644 62.300 -0.303 0.000 1.030 286 V CB -0.762 30.810 31.823 -0.419 0.000 0.643 286 V HN 0.570 8.760 8.190 -0.000 0.000 0.445 287 Q N -1.504 117.927 119.800 -0.615 0.000 2.172 287 Q HA -0.162 4.191 4.340 0.022 0.000 0.200 287 Q C 2.383 178.168 176.000 -0.358 0.000 0.964 287 Q CA 1.724 57.166 55.803 -0.601 0.000 0.855 287 Q CB -1.147 26.995 28.738 -0.993 0.000 0.918 287 Q HN 0.750 9.020 8.270 -0.000 0.000 0.444 288 C N 0.683 119.785 119.300 -0.331 0.000 2.413 288 C HA -0.100 4.373 4.460 0.022 0.000 0.276 288 C C 2.721 177.674 174.990 -0.061 0.000 1.236 288 C CA 0.530 59.457 59.018 -0.153 0.000 1.735 288 C CB -1.088 26.615 27.740 -0.063 0.000 2.031 288 C HN 0.461 8.691 8.230 -0.000 0.000 0.474 289 L N 1.034 122.223 121.223 -0.058 0.000 2.131 289 L HA -0.176 4.177 4.340 0.022 0.000 0.210 289 L C 2.954 179.828 176.870 0.006 0.000 1.092 289 L CA 1.987 56.846 54.840 0.030 0.000 0.759 289 L CB -0.714 41.383 42.059 0.064 0.000 0.903 289 L HN 0.616 8.846 8.230 -0.000 0.000 0.435 290 Q N -0.343 119.424 119.800 -0.056 0.000 2.331 290 Q HA -0.124 4.229 4.340 0.022 0.000 0.203 290 Q C 1.848 177.822 176.000 -0.042 0.000 0.944 290 Q CA 0.733 56.505 55.803 -0.053 0.000 0.892 290 Q CB -0.055 28.637 28.738 -0.077 0.000 0.983 290 Q HN 0.440 8.710 8.270 -0.000 0.000 0.482 291 R N 0.535 121.008 120.500 -0.046 0.000 2.280 291 R HA 0.300 4.653 4.340 0.022 0.000 0.195 291 R C 0.347 176.650 176.300 0.004 0.000 0.935 291 R CA 0.331 56.416 56.100 -0.024 0.000 1.033 291 R CB 0.570 30.850 30.300 -0.034 0.000 0.964 291 R HN 0.179 8.449 8.270 -0.000 0.000 0.489 292 A N 1.484 124.318 122.820 0.024 0.000 2.354 292 A HA 0.256 4.589 4.320 0.022 0.000 0.269 292 A C 0.475 178.090 177.584 0.051 0.000 1.109 292 A CA -0.430 51.641 52.037 0.057 0.000 0.800 292 A CB 0.341 19.404 19.000 0.105 0.000 1.045 292 A HN 0.280 8.430 8.150 -0.000 0.000 0.489 293 T N 0.836 115.420 114.554 0.049 0.000 2.802 293 T HA 0.291 4.654 4.350 0.022 0.000 0.305 293 T C -1.483 173.257 174.700 0.067 0.000 1.053 293 T CA -0.800 61.324 62.100 0.039 0.000 1.058 293 T CB 0.339 69.228 68.868 0.035 0.000 0.988 293 T HN 0.465 8.705 8.240 -0.000 0.000 0.539 294 P HA -0.108 4.312 4.420 -0.000 0.000 0.216 294 P C 1.578 178.946 177.300 0.113 0.000 1.150 294 P CA 2.034 65.166 63.100 0.052 0.000 0.843 294 P CB -0.343 31.358 31.700 0.002 0.000 0.787 295 E N 0.665 120.910 120.200 0.076 0.000 2.107 295 E HA -0.200 4.163 4.350 0.022 0.000 0.191 295 E C 2.086 178.731 176.600 0.075 0.000 0.982 295 E CA 1.186 57.626 56.400 0.068 0.000 0.809 295 E CB -1.364 28.361 29.700 0.042 0.000 0.756 295 E HN 0.424 8.784 8.360 -0.000 0.000 0.459 296 Q N -1.652 118.198 119.800 0.083 0.000 2.079 296 Q HA -0.073 4.280 4.340 0.022 0.000 0.200 296 Q C 2.147 178.202 176.000 0.090 0.000 0.974 296 Q CA 1.335 57.184 55.803 0.076 0.000 0.840 296 Q CB -0.298 28.484 28.738 0.074 0.000 0.898 296 Q HN 0.738 9.008 8.270 -0.000 0.000 0.430 297 Y N 1.709 122.010 120.300 0.002 0.000 2.102 297 Y HA -0.348 4.215 4.550 0.021 0.000 0.280 297 Y C 2.311 178.209 175.900 -0.004 0.000 1.178 297 Y CA 1.828 59.924 58.100 -0.007 0.000 1.146 297 Y CB 0.016 38.467 38.460 -0.015 0.000 0.968 297 Y HN 0.097 8.377 8.280 -0.000 0.000 0.504 298 Q N 0.041 119.890 119.800 0.082 0.000 2.079 298 Q HA -0.179 4.174 4.340 0.022 0.000 0.200 298 Q C 2.533 178.505 176.000 -0.047 0.000 0.974 298 Q CA 1.854 57.661 55.803 0.006 0.000 0.840 298 Q CB -0.445 28.334 28.738 0.068 0.000 0.898 298 Q HN 0.623 8.893 8.270 -0.000 0.000 0.430 299 I N 0.535 121.093 120.570 -0.019 0.000 2.185 299 I HA -0.327 3.856 4.170 0.022 0.000 0.246 299 I C 2.215 178.305 176.117 -0.045 0.000 1.088 299 I CA 0.888 62.174 61.300 -0.023 0.000 1.347 299 I CB -0.217 37.779 38.000 -0.006 0.000 1.041 299 I HN 0.172 8.382 8.210 -0.000 0.000 0.415 300 L N 0.735 121.910 121.223 -0.081 0.000 2.093 300 L HA -0.200 4.153 4.340 0.022 0.000 0.208 300 L C 2.393 179.205 176.870 -0.096 0.000 1.085 300 L CA 1.779 56.568 54.840 -0.084 0.000 0.755 300 L CB -0.770 41.193 42.059 -0.160 0.000 0.904 300 L HN 0.131 8.361 8.230 -0.000 0.000 0.435 301 K N -0.394 119.885 120.400 -0.202 0.000 2.057 301 K HA -0.166 4.167 4.320 0.022 0.000 0.206 301 K C 1.930 178.492 176.600 -0.063 0.000 1.050 301 K CA 1.592 57.770 56.287 -0.182 0.000 0.935 301 K CB 0.056 32.409 32.500 -0.245 0.000 0.715 301 K HN 0.400 8.650 8.250 -0.000 0.000 0.439 302 E N 0.814 120.986 120.200 -0.047 0.000 2.347 302 E HA -0.096 4.267 4.350 0.022 0.000 0.196 302 E C 1.305 177.899 176.600 -0.010 0.000 1.008 302 E CA 1.201 57.588 56.400 -0.022 0.000 0.852 302 E CB -0.304 29.384 29.700 -0.019 0.000 0.783 302 E HN 0.425 8.785 8.360 -0.000 0.000 0.505 303 N N -2.117 116.585 118.700 0.003 0.000 2.360 303 N HA 0.080 4.833 4.740 0.022 0.000 0.211 303 N C -0.235 175.293 175.510 0.031 0.000 1.147 303 N CA -0.236 52.815 53.050 0.002 0.000 0.866 303 N CB 0.377 38.855 38.487 -0.016 0.000 1.206 303 N HN 0.402 8.782 8.380 -0.000 0.000 0.478 304 Y N 1.429 121.695 120.300 -0.057 0.000 2.397 304 Y HA 0.338 4.901 4.550 0.021 0.000 0.335 304 Y C 1.487 177.385 175.900 -0.002 0.000 1.213 304 Y CA 1.345 59.430 58.100 -0.025 0.000 1.391 304 Y CB 0.630 39.103 38.460 0.023 0.000 1.293 304 Y HN 0.385 8.665 8.280 -0.000 0.000 0.557 305 G N 3.141 111.737 108.800 -0.341 0.000 2.136 305 G HA2 -0.220 3.753 3.960 0.022 0.000 0.242 305 G HA3 -0.220 3.753 3.960 0.022 0.000 0.242 305 G C -0.404 174.429 174.900 -0.112 0.000 0.989 305 G CA 0.139 45.131 45.100 -0.181 0.000 0.682 305 G HN 0.623 8.913 8.290 -0.000 0.000 0.522 306 Q N -1.074 118.648 119.800 -0.130 0.000 2.413 306 Q HA 0.581 4.934 4.340 0.022 0.000 0.276 306 Q C 0.787 176.731 176.000 -0.094 0.000 1.099 306 Q CA -0.827 54.927 55.803 -0.082 0.000 0.814 306 Q CB 1.878 30.584 28.738 -0.055 0.000 1.379 306 Q HN 0.015 8.285 8.270 -0.000 0.000 0.436 307 K N 0.246 120.606 120.400 -0.067 0.000 2.288 307 K HA -0.017 4.316 4.320 0.022 0.000 0.201 307 K C -0.249 176.314 176.600 -0.061 0.000 1.048 307 K CA 0.675 56.925 56.287 -0.062 0.000 0.956 307 K CB -0.084 32.390 32.500 -0.042 0.000 0.746 307 K HN 0.537 8.787 8.250 -0.000 0.000 0.461 308 E N 0.108 120.274 120.200 -0.056 0.000 2.493 308 E HA 0.124 4.487 4.350 0.022 0.000 0.255 308 E C 1.060 177.623 176.600 -0.061 0.000 0.999 308 E CA 0.368 56.738 56.400 -0.050 0.000 0.934 308 E CB 0.911 30.586 29.700 -0.043 0.000 0.940 308 E HN 0.286 8.646 8.360 -0.000 0.000 0.473 309 A N 4.329 127.115 122.820 -0.056 0.000 1.933 309 A HA -0.258 4.075 4.320 0.022 0.000 0.218 309 A C 1.847 179.392 177.584 -0.064 0.000 1.175 309 A CA 1.815 53.815 52.037 -0.062 0.000 0.628 309 A CB -0.445 18.525 19.000 -0.051 0.000 0.814 309 A HN 0.745 8.895 8.150 -0.000 0.000 0.444 310 E N 0.129 120.297 120.200 -0.052 0.000 2.347 310 E HA -0.111 4.252 4.350 0.022 0.000 0.196 310 E C 1.692 178.259 176.600 -0.056 0.000 1.008 310 E CA 1.391 57.762 56.400 -0.049 0.000 0.852 310 E CB -0.144 29.534 29.700 -0.037 0.000 0.783 310 E HN 0.599 8.959 8.360 -0.000 0.000 0.505 311 K N 0.562 120.925 120.400 -0.062 0.000 2.067 311 K HA 0.021 4.354 4.320 0.022 0.000 0.203 311 K C 2.127 178.671 176.600 -0.094 0.000 1.048 311 K CA 0.999 57.246 56.287 -0.066 0.000 0.954 311 K CB -0.016 32.448 32.500 -0.059 0.000 0.737 311 K HN 0.002 8.252 8.250 -0.000 0.000 0.444 312 V N 1.978 121.823 119.914 -0.115 0.000 2.282 312 V HA -0.316 3.817 4.120 0.022 0.000 0.249 312 V C 2.428 178.427 176.094 -0.159 0.000 1.057 312 V CA 2.207 64.414 62.300 -0.155 0.000 1.032 312 V CB -0.849 30.881 31.823 -0.154 0.000 0.645 312 V HN 0.366 8.556 8.190 -0.000 0.000 0.447 313 A N -0.193 122.556 122.820 -0.119 0.000 1.917 313 A HA -0.302 4.031 4.320 0.022 0.000 0.219 313 A C 2.363 179.885 177.584 -0.103 0.000 1.182 313 A CA 2.326 54.301 52.037 -0.103 0.000 0.633 313 A CB -0.570 18.388 19.000 -0.070 0.000 0.819 313 A HN 0.535 8.685 8.150 -0.000 0.000 0.448 314 R N -0.956 119.489 120.500 -0.092 0.000 2.096 314 R HA -0.063 4.290 4.340 0.022 0.000 0.235 314 R C 2.048 178.274 176.300 -0.123 0.000 1.127 314 R CA 1.377 57.429 56.100 -0.081 0.000 0.968 314 R CB -0.490 29.775 30.300 -0.058 0.000 0.861 314 R HN 0.400 8.670 8.270 -0.000 0.000 0.440 315 V N 1.315 121.118 119.914 -0.185 0.000 2.295 315 V HA -0.286 3.847 4.120 0.022 0.000 0.246 315 V C 2.345 178.099 176.094 -0.566 0.000 1.049 315 V CA 1.823 63.929 62.300 -0.325 0.000 1.024 315 V CB -0.458 31.184 31.823 -0.302 0.000 0.648 315 V HN 0.322 8.512 8.190 -0.000 0.000 0.447 316 K N 0.212 120.337 120.400 -0.459 0.000 2.063 316 K HA -0.204 4.129 4.320 0.022 0.000 0.208 316 K C 2.176 178.739 176.600 -0.062 0.000 1.048 316 K CA 1.601 57.689 56.287 -0.333 0.000 0.928 316 K CB -0.330 32.020 32.500 -0.250 0.000 0.713 316 K HN 0.434 8.684 8.250 -0.000 0.000 0.442 317 A N 1.300 124.086 122.820 -0.055 0.000 1.902 317 A HA -0.164 4.169 4.320 0.022 0.000 0.217 317 A C 2.019 179.634 177.584 0.052 0.000 1.181 317 A CA 1.349 53.397 52.037 0.018 0.000 0.623 317 A CB -0.621 18.378 19.000 -0.003 0.000 0.818 317 A HN 0.392 8.542 8.150 -0.000 0.000 0.443 318 L N -0.870 120.361 121.223 0.014 0.000 2.042 318 L HA -0.167 4.186 4.340 0.022 0.000 0.210 318 L C 2.285 179.294 176.870 0.232 0.000 1.076 318 L CA 1.784 56.674 54.840 0.083 0.000 0.749 318 L CB -1.004 41.084 42.059 0.048 0.000 0.893 318 L HN 0.577 8.807 8.230 -0.000 0.000 0.432 319 Y N -0.143 120.213 120.300 0.095 0.000 2.114 319 Y HA -0.278 4.285 4.550 0.022 0.000 0.284 319 Y C 2.558 178.564 175.900 0.175 0.000 1.143 319 Y CA 1.099 59.292 58.100 0.155 0.000 1.135 319 Y CB -0.178 38.432 38.460 0.251 0.000 0.980 319 Y HN 0.285 8.565 8.280 -0.000 0.000 0.499 320 E N 0.058 120.482 120.200 0.374 0.000 2.153 320 E HA -0.212 4.151 4.350 0.022 0.000 0.194 320 E C 2.057 178.739 176.600 0.137 0.000 0.988 320 E CA 0.896 57.429 56.400 0.222 0.000 0.811 320 E CB -0.051 29.771 29.700 0.203 0.000 0.746 320 E HN 0.326 8.686 8.360 -0.000 0.000 0.466 321 E N 0.571 120.850 120.200 0.131 0.000 2.204 321 E HA -0.125 4.238 4.350 0.022 0.000 0.194 321 E C 1.573 178.223 176.600 0.082 0.000 0.989 321 E CA 0.649 57.102 56.400 0.089 0.000 0.824 321 E CB 0.150 29.894 29.700 0.075 0.000 0.756 321 E HN 0.306 8.666 8.360 -0.000 0.000 0.477 322 L N 0.712 121.997 121.223 0.104 0.000 2.592 322 L HA 0.014 4.367 4.340 0.022 0.000 0.227 322 L C -0.193 176.713 176.870 0.061 0.000 1.127 322 L CA 0.054 54.938 54.840 0.074 0.000 0.884 322 L CB 0.130 42.233 42.059 0.073 0.000 1.065 322 L HN -0.060 8.170 8.230 -0.000 0.000 0.457 323 D N -0.205 120.237 120.400 0.070 0.000 2.800 323 D HA -0.205 4.448 4.640 0.022 0.000 0.232 323 D C 1.135 177.471 176.300 0.059 0.000 1.137 323 D CA 0.558 54.589 54.000 0.052 0.000 0.718 323 D CB -1.198 39.627 40.800 0.040 0.000 1.084 323 D HN 0.298 8.668 8.370 -0.000 0.000 0.432 324 L N -0.938 120.329 121.223 0.074 0.000 2.156 324 L HA -0.073 4.280 4.340 0.022 0.000 0.208 324 L C -0.456 176.522 176.870 0.179 0.000 1.095 324 L CA 0.955 55.855 54.840 0.099 0.000 0.770 324 L CB -1.150 40.934 42.059 0.040 0.000 0.914 324 L HN 0.109 8.339 8.230 -0.000 0.000 0.439 325 P HA -0.187 4.233 4.420 -0.000 0.000 0.215 325 P C 1.516 178.889 177.300 0.122 0.000 1.153 325 P CA 1.797 64.935 63.100 0.063 0.000 0.853 325 P CB 0.066 31.659 31.700 -0.180 0.000 0.788 326 A N -0.865 122.000 122.820 0.074 0.000 1.929 326 A HA -0.104 4.229 4.320 0.022 0.000 0.216 326 A C 2.317 179.962 177.584 0.102 0.000 1.176 326 A CA 1.360 53.435 52.037 0.062 0.000 0.628 326 A CB -1.589 17.434 19.000 0.039 0.000 0.816 326 A HN 0.021 8.171 8.150 -0.000 0.000 0.444 327 V N -1.040 118.969 119.914 0.158 0.000 2.407 327 V HA -0.237 3.896 4.120 0.022 0.000 0.248 327 V C 2.260 178.579 176.094 0.375 0.000 1.055 327 V CA 2.146 64.579 62.300 0.222 0.000 1.049 327 V CB -0.862 31.068 31.823 0.178 0.000 0.662 327 V HN 0.690 8.880 8.190 -0.000 0.000 0.455 328 F N 0.312 120.412 119.950 0.251 0.000 2.163 328 F HA -0.115 4.424 4.527 0.021 0.000 0.297 328 F C 1.981 177.741 175.800 -0.068 0.000 1.094 328 F CA 1.646 59.697 58.000 0.085 0.000 1.290 328 F CB -0.297 38.650 39.000 -0.089 0.000 1.017 328 F HN 0.123 8.423 8.300 -0.000 0.000 0.483 329 L N 0.701 121.771 121.223 -0.254 0.000 2.083 329 L HA -0.169 4.184 4.340 0.022 0.000 0.209 329 L C 2.415 179.140 176.870 -0.242 0.000 1.083 329 L CA 1.952 56.571 54.840 -0.369 0.000 0.752 329 L CB -1.087 40.883 42.059 -0.149 0.000 0.899 329 L HN 0.311 8.541 8.230 -0.000 0.000 0.433 330 Q N -1.517 118.229 119.800 -0.090 0.000 2.079 330 Q HA -0.275 4.078 4.340 0.022 0.000 0.200 330 Q C 2.171 178.153 176.000 -0.030 0.000 0.974 330 Q CA 2.096 57.879 55.803 -0.033 0.000 0.840 330 Q CB -0.668 28.087 28.738 0.030 0.000 0.898 330 Q HN 0.663 8.933 8.270 -0.000 0.000 0.430 331 Y N 0.772 121.018 120.300 -0.090 0.000 2.181 331 Y HA -0.195 4.368 4.550 0.021 0.000 0.288 331 Y C 2.052 177.872 175.900 -0.134 0.000 1.146 331 Y CA 2.218 60.275 58.100 -0.071 0.000 1.164 331 Y CB -0.151 38.291 38.460 -0.030 0.000 0.982 331 Y HN 0.295 8.575 8.280 -0.000 0.000 0.515 332 E N 0.013 120.013 120.200 -0.333 0.000 2.153 332 E HA -0.231 4.132 4.350 0.022 0.000 0.194 332 E C 1.867 178.487 176.600 0.034 0.000 0.988 332 E CA 1.499 57.774 56.400 -0.208 0.000 0.811 332 E CB -0.044 29.299 29.700 -0.593 0.000 0.746 332 E HN 0.711 9.071 8.360 -0.000 0.000 0.466 333 E N 0.220 120.394 120.200 -0.044 0.000 2.046 333 E HA -0.152 4.211 4.350 0.022 0.000 0.190 333 E C 1.855 178.445 176.600 -0.016 0.000 0.982 333 E CA 1.126 57.558 56.400 0.054 0.000 0.800 333 E CB 0.060 29.770 29.700 0.016 0.000 0.756 333 E HN 0.247 8.607 8.360 -0.000 0.000 0.449 334 D N 0.279 120.614 120.400 -0.109 0.000 2.084 334 D HA -0.158 4.495 4.640 0.022 0.000 0.194 334 D C 2.053 178.233 176.300 -0.199 0.000 0.990 334 D CA 1.238 55.155 54.000 -0.139 0.000 0.826 334 D CB -0.556 40.159 40.800 -0.141 0.000 0.971 334 D HN 0.008 8.378 8.370 -0.000 0.000 0.453 335 S N -0.488 114.980 115.700 -0.387 0.000 2.359 335 S HA -0.258 4.225 4.470 0.022 0.000 0.224 335 S C 2.114 176.565 174.600 -0.248 0.000 1.035 335 S CA 0.983 58.969 58.200 -0.355 0.000 1.018 335 S CB -0.614 62.235 63.200 -0.585 0.000 0.876 335 S HN 0.253 8.563 8.310 -0.000 0.000 0.448 336 Y N 2.191 122.241 120.300 -0.416 0.000 2.114 336 Y HA -0.135 4.428 4.550 0.022 0.000 0.282 336 Y C 2.806 178.469 175.900 -0.395 0.000 1.165 336 Y CA 1.811 59.585 58.100 -0.544 0.000 1.148 336 Y CB -0.949 37.117 38.460 -0.657 0.000 0.972 336 Y HN 0.321 8.601 8.280 -0.000 0.000 0.504 337 S N -1.366 114.178 115.700 -0.261 0.000 2.368 337 S HA -0.260 4.223 4.470 0.022 0.000 0.225 337 S C 1.813 176.266 174.600 -0.244 0.000 1.030 337 S CA 1.462 59.505 58.200 -0.262 0.000 0.999 337 S CB -0.598 62.524 63.200 -0.130 0.000 0.844 337 S HN 0.731 9.041 8.310 -0.000 0.000 0.459 338 H N 1.739 120.649 119.070 -0.267 0.000 2.353 338 H HA 0.066 4.635 4.556 0.022 0.000 0.300 338 H C 1.841 177.008 175.328 -0.268 0.000 1.090 338 H CA 1.584 57.497 56.048 -0.224 0.000 1.327 338 H CB -0.348 29.312 29.762 -0.171 0.000 1.383 338 H HN 0.291 8.571 8.280 -0.000 0.000 0.508 339 I N -0.141 120.165 120.570 -0.440 0.000 2.264 339 I HA -0.252 3.931 4.170 0.022 0.000 0.248 339 I C 1.825 177.629 176.117 -0.523 0.000 1.111 339 I CA 1.088 62.077 61.300 -0.517 0.000 1.382 339 I CB -0.490 37.190 38.000 -0.533 0.000 1.060 339 I HN 0.388 8.598 8.210 -0.000 0.000 0.418 340 M N 0.408 119.665 119.600 -0.572 0.000 2.254 340 M HA -0.038 4.455 4.480 0.022 0.000 0.265 340 M C 2.534 178.619 176.300 -0.358 0.000 1.066 340 M CA 1.338 56.344 55.300 -0.490 0.000 1.123 340 M CB -1.246 31.032 32.600 -0.536 0.000 1.388 340 M HN 0.215 8.505 8.290 -0.000 0.000 0.425 341 A N 0.274 122.890 122.820 -0.340 0.000 1.969 341 A HA -0.065 4.268 4.320 0.022 0.000 0.218 341 A C 2.257 179.653 177.584 -0.313 0.000 1.169 341 A CA 1.018 52.887 52.037 -0.280 0.000 0.635 341 A CB -0.765 18.106 19.000 -0.214 0.000 0.810 341 A HN 0.454 8.604 8.150 -0.000 0.000 0.445 342 L N -0.736 120.255 121.223 -0.387 0.000 2.141 342 L HA -0.128 4.225 4.340 0.022 0.000 0.209 342 L C 2.377 179.086 176.870 -0.269 0.000 1.094 342 L CA 0.894 55.554 54.840 -0.300 0.000 0.763 342 L CB -0.448 41.416 42.059 -0.326 0.000 0.908 342 L HN 0.385 8.615 8.230 -0.000 0.000 0.437 343 I N -0.249 120.123 120.570 -0.329 0.000 2.233 343 I HA -0.249 3.933 4.170 0.022 0.000 0.243 343 I C 2.426 178.391 176.117 -0.253 0.000 1.093 343 I CA 1.162 62.259 61.300 -0.337 0.000 1.380 343 I CB -0.197 37.628 38.000 -0.291 0.000 1.067 343 I HN 0.239 8.449 8.210 -0.000 0.000 0.413 344 E N 0.308 120.368 120.200 -0.232 0.000 2.114 344 E HA -0.352 4.011 4.350 0.022 0.000 0.199 344 E C 2.129 178.592 176.600 -0.227 0.000 1.008 344 E CA 1.692 57.973 56.400 -0.198 0.000 0.810 344 E CB -0.180 29.408 29.700 -0.186 0.000 0.739 344 E HN 0.517 8.877 8.360 -0.000 0.000 0.456 345 Q N -0.505 119.109 119.800 -0.309 0.000 2.049 345 Q HA -0.126 4.227 4.340 0.022 0.000 0.198 345 Q C 1.126 176.844 176.000 -0.470 0.000 0.971 345 Q CA 1.267 56.795 55.803 -0.458 0.000 0.833 345 Q CB 0.171 28.479 28.738 -0.715 0.000 0.896 345 Q HN 0.403 8.673 8.270 -0.000 0.000 0.434 346 Y N -1.530 118.637 120.300 -0.222 0.000 2.445 346 Y HA 0.346 4.910 4.550 0.022 0.000 0.247 346 Y C 1.813 177.569 175.900 -0.241 0.000 1.129 346 Y CA -0.041 57.928 58.100 -0.219 0.000 1.251 346 Y CB 0.555 38.861 38.460 -0.256 0.000 1.176 346 Y HN 0.217 8.497 8.280 -0.000 0.000 0.522 347 A N 1.286 124.020 122.820 -0.144 0.000 1.877 347 A HA 0.057 4.390 4.320 0.022 0.000 0.216 347 A C 1.670 179.284 177.584 0.049 0.000 1.186 347 A CA 0.850 52.833 52.037 -0.090 0.000 0.620 347 A CB -1.057 17.916 19.000 -0.044 0.000 0.822 347 A HN 0.265 8.415 8.150 -0.000 0.000 0.443 348 A N 0.425 123.247 122.820 0.002 0.000 2.586 348 A HA 0.333 4.666 4.320 0.022 0.000 0.231 348 A C -0.747 176.851 177.584 0.023 0.000 1.055 348 A CA 0.019 52.060 52.037 0.008 0.000 0.756 348 A CB -0.192 18.796 19.000 -0.020 0.000 0.988 348 A HN 0.393 8.543 8.150 -0.000 0.000 0.509 349 P HA 0.107 4.527 4.420 -0.000 0.000 0.253 349 P C -0.166 177.139 177.300 0.008 0.000 1.260 349 P CA 0.280 63.384 63.100 0.005 0.000 0.800 349 P CB -0.130 31.569 31.700 -0.002 0.000 1.162 350 L N 1.117 122.362 121.223 0.038 0.000 2.417 350 L HA 0.291 4.644 4.340 0.022 0.000 0.268 350 L C -2.014 174.889 176.870 0.054 0.000 1.158 350 L CA -2.329 52.533 54.840 0.037 0.000 0.819 350 L CB -0.478 41.629 42.059 0.080 0.000 1.112 350 L HN -0.220 8.010 8.230 -0.000 0.000 0.458 351 P HA 0.098 4.518 4.420 -0.000 0.000 0.267 351 P C -2.111 175.227 177.300 0.063 0.000 1.205 351 P CA -1.100 62.002 63.100 0.003 0.000 0.765 351 P CB 0.187 31.861 31.700 -0.044 0.000 0.828 352 P HA -0.230 4.190 4.420 -0.000 0.000 0.217 352 P C 1.310 178.669 177.300 0.098 0.000 1.148 352 P CA 1.736 64.908 63.100 0.121 0.000 0.828 352 P CB -0.302 31.416 31.700 0.029 0.000 0.783 353 A N -0.515 122.315 122.820 0.018 0.000 1.958 353 A HA -0.223 4.110 4.320 0.022 0.000 0.221 353 A C 2.351 179.901 177.584 -0.057 0.000 1.178 353 A CA 1.926 53.953 52.037 -0.017 0.000 0.642 353 A CB -1.800 17.178 19.000 -0.036 0.000 0.816 353 A HN 0.065 8.215 8.150 -0.000 0.000 0.453 354 V N -1.494 118.342 119.914 -0.129 0.000 2.282 354 V HA -0.305 3.828 4.120 0.022 0.000 0.249 354 V C 2.282 178.174 176.094 -0.336 0.000 1.057 354 V CA 2.518 64.627 62.300 -0.318 0.000 1.032 354 V CB -0.805 30.676 31.823 -0.571 0.000 0.645 354 V HN 0.653 8.843 8.190 -0.000 0.000 0.447 355 F N -1.552 118.362 119.950 -0.060 0.000 2.446 355 F HA 0.145 4.684 4.527 0.021 0.000 0.292 355 F C 2.048 177.817 175.800 -0.050 0.000 1.096 355 F CA 0.498 58.465 58.000 -0.055 0.000 1.438 355 F CB -0.351 38.604 39.000 -0.074 0.000 1.107 355 F HN -0.012 8.288 8.300 -0.000 0.000 0.546 356 L N 0.060 121.359 121.223 0.127 0.000 2.083 356 L HA -0.152 4.201 4.340 0.022 0.000 0.209 356 L C 2.715 179.618 176.870 0.056 0.000 1.083 356 L CA 1.408 56.282 54.840 0.055 0.000 0.752 356 L CB -1.256 40.817 42.059 0.023 0.000 0.899 356 L HN 0.305 8.535 8.230 -0.000 0.000 0.433 357 G N 0.017 108.833 108.800 0.027 0.000 2.459 357 G HA2 -0.269 3.704 3.960 0.022 0.000 0.217 357 G HA3 -0.269 3.704 3.960 0.022 0.000 0.217 357 G C 1.638 176.565 174.900 0.044 0.000 1.183 357 G CA 0.629 45.739 45.100 0.018 0.000 0.776 357 G HN 0.225 8.515 8.290 -0.000 0.000 0.552 358 L N 0.493 121.743 121.223 0.044 0.000 2.017 358 L HA -0.053 4.300 4.340 0.022 0.000 0.208 358 L C 3.423 180.397 176.870 0.172 0.000 1.073 358 L CA 1.207 56.099 54.840 0.087 0.000 0.745 358 L CB -0.310 41.812 42.059 0.104 0.000 0.894 358 L HN 0.327 8.557 8.230 -0.000 0.000 0.432 359 A N 0.001 122.923 122.820 0.170 0.000 1.908 359 A HA -0.229 4.104 4.320 0.022 0.000 0.218 359 A C 2.266 180.017 177.584 0.279 0.000 1.181 359 A CA 1.688 53.854 52.037 0.214 0.000 0.627 359 A CB -0.485 18.582 19.000 0.111 0.000 0.818 359 A HN 0.405 8.555 8.150 -0.000 0.000 0.445 360 R N -1.057 119.570 120.500 0.211 0.000 2.153 360 R HA -0.018 4.335 4.340 0.022 0.000 0.218 360 R C 2.114 178.518 176.300 0.173 0.000 1.072 360 R CA 1.194 57.407 56.100 0.189 0.000 0.990 360 R CB -0.164 30.219 30.300 0.139 0.000 0.889 360 R HN 0.390 8.660 8.270 -0.000 0.000 0.452 361 K N 1.788 122.284 120.400 0.160 0.000 2.057 361 K HA -0.089 4.244 4.320 0.022 0.000 0.207 361 K C 1.853 178.580 176.600 0.212 0.000 1.049 361 K CA 1.272 57.648 56.287 0.149 0.000 0.931 361 K CB -0.041 32.523 32.500 0.107 0.000 0.714 361 K HN 0.329 8.579 8.250 -0.000 0.000 0.440 362 I N -2.434 118.321 120.570 0.309 0.000 3.728 362 I HA 0.137 4.320 4.170 0.022 0.000 0.307 362 I C 0.068 176.455 176.117 0.451 0.000 1.276 362 I CA -0.519 61.047 61.300 0.444 0.000 1.285 362 I CB -0.108 38.303 38.000 0.686 0.000 1.038 362 I HN -0.126 8.084 8.210 -0.000 0.000 0.445 363 Y N 4.367 124.775 120.300 0.180 0.000 2.377 363 Y HA 0.224 4.787 4.550 0.022 0.000 0.330 363 Y C 0.860 176.756 175.900 -0.005 0.000 1.108 363 Y CA -0.613 57.510 58.100 0.038 0.000 1.308 363 Y CB 0.441 38.652 38.460 -0.415 0.000 1.216 363 Y HN 0.138 8.418 8.280 -0.000 0.000 0.518 364 K N 2.997 123.080 120.400 -0.527 0.000 3.209 364 K HA -0.257 4.076 4.320 0.022 0.000 0.289 364 K C -0.218 176.291 176.600 -0.151 0.000 1.191 364 K CA 1.075 57.090 56.287 -0.452 0.000 0.851 364 K CB -1.306 30.860 32.500 -0.556 0.000 1.242 364 K HN 0.955 9.205 8.250 -0.000 0.000 0.480 365 R N 0.764 121.239 120.500 -0.042 0.000 2.543 365 R HA 0.214 4.567 4.340 0.022 0.000 0.277 365 R C 0.820 177.129 176.300 0.014 0.000 1.074 365 R CA -0.016 56.096 56.100 0.019 0.000 1.076 365 R CB 0.337 30.689 30.300 0.086 0.000 0.993 365 R HN 0.275 8.545 8.270 -0.000 0.000 0.459 366 R N 1.446 121.961 120.500 0.024 0.000 2.577 366 R HA 0.291 4.644 4.340 0.022 0.000 0.344 366 R C -0.247 176.068 176.300 0.025 0.000 1.037 366 R CA -0.532 55.591 56.100 0.037 0.000 1.102 366 R CB 0.412 30.736 30.300 0.039 0.000 1.313 366 R HN 0.695 8.965 8.270 -0.000 0.000 0.561 367 K N 0.000 120.410 120.400 0.016 0.000 2.780 367 K HA 0.000 4.333 4.320 0.022 0.000 0.191 367 K CA 0.000 56.294 56.287 0.012 0.000 0.838 367 K CB 0.000 32.513 32.500 0.022 0.000 1.064 367 K HN 0.000 8.250 8.250 -0.000 0.000 0.543