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 3dfn_1_D DATA FIRST_RESID 1 DATA SEQUENCE PHSHPALTPE QKKELSDIAH RIVAPGKGIL AANESTGSIA KRLQSIGTEN DATA SEQUENCE TEENRRFYRQ LLLTADDRVN PCIGGVILFH ETLYQKADDG RPFPQVIKSK DATA SEQUENCE GGVVGIKVDK GVVPLAGTNG ETTTQGLDGL SERCAQYKKD GADFAKWRCV DATA SEQUENCE LKIGEHTPSA LAIMENANVL ARYASICQQN GIVPIVEPEI LPDGDHDLKR DATA SEQUENCE CQYVTEKVLA AVYKALSDHH IYLEGTLLKP NMVTPGHACT QKYSHEEIAM DATA SEQUENCE ATVTALRRTV PPAVTGVTFL SGGQSEEEAS INLNAINKCP LLKPWALTFS DATA SEQUENCE YGRALQASAL KAWGGKKENL KAAQEEYVKR ALANSLACQG KYTPSGQAGA DATA SEQUENCE AASESLFISN H 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 1 P HA 0.000 4.420 4.420 0.000 0.000 0.216 1 P C 0.000 177.113 177.300 -0.311 0.000 1.155 1 P CA 0.000 63.024 63.100 -0.126 0.000 0.800 1 P CB 0.000 31.596 31.700 -0.174 0.000 0.726 2 H N 0.504 119.555 119.070 -0.031 0.000 2.469 2 H HA 0.441 4.999 4.556 0.003 0.000 0.342 2 H C -0.328 174.835 175.328 -0.276 0.000 1.115 2 H CA -0.428 55.536 56.048 -0.139 0.000 1.204 2 H CB 2.625 32.313 29.762 -0.124 0.000 1.492 2 H HN 0.003 8.283 8.280 0.000 0.000 0.499 3 S N 2.432 117.991 115.700 -0.234 0.000 2.523 3 S HA 0.119 4.591 4.470 0.003 0.000 0.275 3 S C -0.358 173.930 174.600 -0.518 0.000 1.281 3 S CA -0.409 57.620 58.200 -0.284 0.000 1.050 3 S CB 0.062 63.163 63.200 -0.164 0.000 0.937 3 S HN 0.568 8.878 8.310 0.000 0.000 0.492 4 H N 4.153 123.156 119.070 -0.112 0.000 2.488 4 H HA 0.278 4.835 4.556 0.003 0.000 0.237 4 H C -2.427 172.830 175.328 -0.118 0.000 1.395 4 H CA -1.537 54.455 56.048 -0.093 0.000 1.491 4 H CB 0.083 29.792 29.762 -0.088 0.000 1.567 4 H HN 0.531 8.811 8.280 0.000 0.000 0.508 5 P HA -0.109 4.311 4.420 0.000 0.000 0.252 5 P C 0.860 178.143 177.300 -0.029 0.000 1.126 5 P CA 0.342 63.414 63.100 -0.046 0.000 0.777 5 P CB 0.591 32.265 31.700 -0.043 0.000 0.711 6 A N 4.101 126.902 122.820 -0.031 0.000 2.016 6 A HA 0.084 4.406 4.320 0.003 0.000 0.217 6 A C 0.720 178.291 177.584 -0.023 0.000 1.162 6 A CA 1.001 53.034 52.037 -0.006 0.000 0.662 6 A CB -0.138 18.884 19.000 0.036 0.000 0.812 6 A HN 0.506 8.656 8.150 0.000 0.000 0.450 7 L N -0.565 120.624 121.223 -0.057 0.000 2.371 7 L HA 0.434 4.776 4.340 0.003 0.000 0.262 7 L C 0.158 176.962 176.870 -0.109 0.000 1.006 7 L CA -0.808 53.976 54.840 -0.093 0.000 0.818 7 L CB 2.351 44.314 42.059 -0.161 0.000 1.354 7 L HN 0.199 8.429 8.230 0.000 0.000 0.415 8 T N -2.635 111.862 114.554 -0.096 0.000 2.881 8 T HA 0.376 4.728 4.350 0.003 0.000 0.278 8 T C -2.139 172.493 174.700 -0.113 0.000 0.982 8 T CA -1.855 60.195 62.100 -0.084 0.000 0.989 8 T CB 1.662 70.498 68.868 -0.054 0.000 1.058 8 T HN 0.292 8.532 8.240 0.000 0.000 0.529 9 P HA -0.063 4.357 4.420 0.000 0.000 0.216 9 P C 1.145 178.399 177.300 -0.076 0.000 1.150 9 P CA 1.022 64.068 63.100 -0.090 0.000 0.837 9 P CB 0.062 31.729 31.700 -0.055 0.000 0.786 10 E N -0.545 119.621 120.200 -0.056 0.000 2.072 10 E HA -0.176 4.176 4.350 0.003 0.000 0.191 10 E C 2.145 178.721 176.600 -0.040 0.000 0.985 10 E CA 1.177 57.555 56.400 -0.037 0.000 0.801 10 E CB -0.792 28.893 29.700 -0.026 0.000 0.750 10 E HN 0.378 8.738 8.360 0.000 0.000 0.452 11 Q N 0.435 120.200 119.800 -0.059 0.000 2.119 11 Q HA -0.107 4.235 4.340 0.003 0.000 0.201 11 Q C 2.008 177.959 176.000 -0.081 0.000 0.972 11 Q CA 1.145 56.915 55.803 -0.055 0.000 0.847 11 Q CB -0.080 28.621 28.738 -0.063 0.000 0.903 11 Q HN 0.174 8.444 8.270 0.000 0.000 0.433 12 K N 0.946 121.232 120.400 -0.189 0.000 2.026 12 K HA -0.173 4.148 4.320 0.003 0.000 0.208 12 K C 2.107 178.704 176.600 -0.005 0.000 1.048 12 K CA 1.190 57.276 56.287 -0.335 0.000 0.929 12 K CB -0.119 32.017 32.500 -0.607 0.000 0.713 12 K HN 0.040 8.290 8.250 0.000 0.000 0.439 13 K N 1.657 122.053 120.400 -0.007 0.000 2.063 13 K HA -0.248 4.074 4.320 0.003 0.000 0.208 13 K C 2.105 178.741 176.600 0.060 0.000 1.048 13 K CA 1.820 58.132 56.287 0.040 0.000 0.928 13 K CB 0.001 32.505 32.500 0.007 0.000 0.713 13 K HN 0.155 8.405 8.250 0.000 0.000 0.442 14 E N 0.568 120.794 120.200 0.043 0.000 2.051 14 E HA -0.198 4.154 4.350 0.003 0.000 0.192 14 E C 2.098 178.750 176.600 0.088 0.000 0.991 14 E CA 1.199 57.631 56.400 0.053 0.000 0.799 14 E CB -0.067 29.655 29.700 0.036 0.000 0.748 14 E HN 0.365 8.725 8.360 0.000 0.000 0.449 15 L N 0.305 121.601 121.223 0.121 0.000 2.056 15 L HA -0.141 4.201 4.340 0.003 0.000 0.207 15 L C 2.826 179.809 176.870 0.188 0.000 1.078 15 L CA 1.181 56.119 54.840 0.163 0.000 0.749 15 L CB -0.489 41.709 42.059 0.232 0.000 0.901 15 L HN 0.180 8.410 8.230 0.000 0.000 0.433 16 S N -0.283 115.574 115.700 0.261 0.000 2.368 16 S HA -0.203 4.269 4.470 0.003 0.000 0.225 16 S C 1.644 176.402 174.600 0.262 0.000 1.030 16 S CA 1.596 59.958 58.200 0.269 0.000 0.999 16 S CB -0.212 63.153 63.200 0.274 0.000 0.844 16 S HN 0.386 8.696 8.310 0.000 0.000 0.459 17 D N 1.173 121.655 120.400 0.135 0.000 2.144 17 D HA -0.037 4.605 4.640 0.003 0.000 0.199 17 D C 1.869 178.227 176.300 0.097 0.000 0.984 17 D CA 1.053 55.103 54.000 0.083 0.000 0.834 17 D CB -0.358 40.465 40.800 0.038 0.000 0.955 17 D HN 0.471 8.841 8.370 0.000 0.000 0.465 18 I N 1.030 121.653 120.570 0.087 0.000 2.202 18 I HA -0.234 3.938 4.170 0.003 0.000 0.242 18 I C 2.488 178.609 176.117 0.006 0.000 1.091 18 I CA 0.993 62.326 61.300 0.055 0.000 1.368 18 I CB -0.240 37.803 38.000 0.072 0.000 1.058 18 I HN -0.078 8.132 8.210 0.000 0.000 0.410 19 A N 0.257 123.083 122.820 0.009 0.000 1.908 19 A HA -0.268 4.054 4.320 0.003 0.000 0.218 19 A C 2.053 179.552 177.584 -0.141 0.000 1.181 19 A CA 1.896 53.872 52.037 -0.102 0.000 0.627 19 A CB -1.048 17.882 19.000 -0.116 0.000 0.818 19 A HN 0.443 8.593 8.150 0.000 0.000 0.445 20 H N -0.748 118.281 119.070 -0.069 0.000 2.423 20 H HA 0.021 4.579 4.556 0.004 0.000 0.297 20 H C 2.312 177.595 175.328 -0.075 0.000 1.075 20 H CA 1.523 57.532 56.048 -0.064 0.000 1.342 20 H CB -0.015 29.725 29.762 -0.036 0.000 1.395 20 H HN 0.404 8.684 8.280 0.000 0.000 0.530 21 R N 0.052 120.577 120.500 0.043 0.000 2.092 21 R HA -0.065 4.277 4.340 0.003 0.000 0.231 21 R C 2.111 178.364 176.300 -0.079 0.000 1.119 21 R CA 1.325 57.420 56.100 -0.008 0.000 0.970 21 R CB -0.224 30.076 30.300 -0.000 0.000 0.864 21 R HN 0.351 8.621 8.270 0.000 0.000 0.440 22 I N 0.770 121.250 120.570 -0.150 0.000 2.286 22 I HA -0.183 3.989 4.170 0.003 0.000 0.248 22 I C 1.786 177.750 176.117 -0.255 0.000 1.115 22 I CA 1.141 62.287 61.300 -0.258 0.000 1.392 22 I CB -0.037 37.694 38.000 -0.449 0.000 1.065 22 I HN 0.028 8.238 8.210 0.000 0.000 0.418 23 V N -1.535 118.247 119.914 -0.221 0.000 3.177 23 V HA 0.539 4.661 4.120 0.003 0.000 0.342 23 V C 0.883 176.899 176.094 -0.130 0.000 1.379 23 V CA -0.752 61.422 62.300 -0.211 0.000 1.191 23 V CB -1.048 30.641 31.823 -0.224 0.000 1.167 23 V HN 0.156 8.346 8.190 0.000 0.000 0.471 24 A N 1.495 124.261 122.820 -0.090 0.000 2.547 24 A HA 0.440 4.762 4.320 0.003 0.000 0.233 24 A C -1.938 175.622 177.584 -0.040 0.000 1.067 24 A CA -0.650 51.364 52.037 -0.038 0.000 0.763 24 A CB -0.725 18.262 19.000 -0.022 0.000 1.007 24 A HN 0.497 8.647 8.150 0.000 0.000 0.506 25 P HA 0.134 4.554 4.420 0.000 0.000 0.259 25 P C 1.029 178.328 177.300 -0.000 0.000 1.163 25 P CA 2.221 65.319 63.100 -0.003 0.000 0.760 25 P CB 0.213 31.917 31.700 0.008 0.000 0.762 26 G N 2.181 110.987 108.800 0.011 0.000 2.179 26 G HA2 -0.258 3.704 3.960 0.003 0.000 0.260 26 G HA3 -0.258 3.704 3.960 0.003 0.000 0.260 26 G C 0.027 174.945 174.900 0.030 0.000 0.977 26 G CA -0.094 45.027 45.100 0.035 0.000 0.641 26 G HN 0.537 8.827 8.290 0.000 0.000 0.533 27 K N 0.282 120.655 120.400 -0.045 0.000 2.123 27 K HA 0.658 4.979 4.320 0.003 0.000 0.259 27 K C 0.514 176.884 176.600 -0.384 0.000 0.960 27 K CA -0.139 56.074 56.287 -0.123 0.000 0.872 27 K CB 2.026 34.455 32.500 -0.118 0.000 1.079 27 K HN 0.341 8.591 8.250 0.000 0.000 0.440 28 G N 1.253 109.647 108.800 -0.677 0.000 3.022 28 G HA2 0.658 4.620 3.960 0.003 0.000 0.284 28 G HA3 0.658 4.620 3.960 0.003 0.000 0.284 28 G C -1.151 173.241 174.900 -0.847 0.000 1.375 28 G CA -0.802 43.354 45.100 -1.574 0.000 0.902 28 G HN 0.448 8.738 8.290 0.000 0.000 0.538 29 I N 0.181 120.310 120.570 -0.735 0.000 2.474 29 I HA 0.367 4.539 4.170 0.003 0.000 0.294 29 I C -1.023 175.148 176.117 0.091 0.000 1.005 29 I CA -0.807 60.380 61.300 -0.189 0.000 1.113 29 I CB 2.197 40.116 38.000 -0.136 0.000 1.289 29 I HN 0.286 8.496 8.210 0.000 0.000 0.436 30 L N 6.386 127.701 121.223 0.153 0.000 2.257 30 L HA 0.611 4.953 4.340 0.003 0.000 0.290 30 L C 0.094 177.043 176.870 0.132 0.000 1.044 30 L CA -0.094 54.864 54.840 0.196 0.000 0.810 30 L CB 1.020 43.181 42.059 0.170 0.000 1.193 30 L HN 0.671 8.901 8.230 0.000 0.000 0.425 31 A N 5.021 127.931 122.820 0.149 0.000 2.798 31 A HA 0.668 4.990 4.320 0.003 0.000 0.316 31 A C 0.655 178.274 177.584 0.058 0.000 1.506 31 A CA 0.144 52.248 52.037 0.111 0.000 1.162 31 A CB -0.255 18.831 19.000 0.142 0.000 1.138 31 A HN 1.047 9.197 8.150 0.000 0.000 0.532 32 A N 2.791 125.613 122.820 0.003 0.000 2.708 32 A HA 0.198 4.520 4.320 0.003 0.000 0.293 32 A C 0.878 178.448 177.584 -0.024 0.000 1.303 32 A CA -0.130 51.878 52.037 -0.049 0.000 0.949 32 A CB -0.397 18.505 19.000 -0.163 0.000 1.121 32 A HN 0.808 8.958 8.150 0.000 0.000 0.542 33 N N -0.065 118.647 118.700 0.020 0.000 2.314 33 N HA 0.007 4.749 4.740 0.003 0.000 0.200 33 N C -0.654 174.876 175.510 0.034 0.000 1.135 33 N CA -0.103 52.992 53.050 0.076 0.000 0.835 33 N CB 0.145 38.686 38.487 0.091 0.000 0.989 33 N HN 0.413 8.793 8.380 0.000 0.000 0.478 34 E N 1.525 121.704 120.200 -0.036 0.000 2.481 34 E HA -0.001 4.351 4.350 0.003 0.000 0.263 34 E C 0.563 176.952 176.600 -0.351 0.000 0.992 34 E CA -0.016 56.311 56.400 -0.121 0.000 0.938 34 E CB 0.541 30.204 29.700 -0.062 0.000 0.933 34 E HN 0.410 8.770 8.360 0.000 0.000 0.453 35 S N 1.544 116.946 115.700 -0.497 0.000 2.641 35 S HA 0.114 4.586 4.470 0.003 0.000 0.261 35 S C 1.058 175.367 174.600 -0.484 0.000 1.257 35 S CA -0.353 57.305 58.200 -0.904 0.000 0.983 35 S CB 1.001 63.822 63.200 -0.633 0.000 0.990 35 S HN 0.490 8.800 8.310 0.000 0.000 0.572 36 T N 0.838 115.149 114.554 -0.405 0.000 2.777 36 T HA 0.049 4.401 4.350 0.003 0.000 0.266 36 T C 1.976 176.605 174.700 -0.118 0.000 1.040 36 T CA 1.530 63.529 62.100 -0.169 0.000 1.141 36 T CB -1.135 67.690 68.868 -0.073 0.000 0.868 36 T HN 0.840 9.080 8.240 0.000 0.000 0.444 37 G N 0.174 108.901 108.800 -0.121 0.000 2.471 37 G HA2 -0.130 3.832 3.960 0.003 0.000 0.219 37 G HA3 -0.130 3.832 3.960 0.003 0.000 0.219 37 G C 1.770 176.619 174.900 -0.085 0.000 1.125 37 G CA 1.094 46.144 45.100 -0.083 0.000 0.775 37 G HN 0.517 8.807 8.290 0.000 0.000 0.548 38 S N -0.177 115.454 115.700 -0.114 0.000 2.387 38 S HA 0.013 4.485 4.470 0.003 0.000 0.221 38 S C 2.204 176.757 174.600 -0.077 0.000 1.041 38 S CA 0.557 58.701 58.200 -0.093 0.000 0.959 38 S CB -0.167 62.968 63.200 -0.109 0.000 0.843 38 S HN 0.142 8.452 8.310 0.000 0.000 0.488 39 I N 2.406 122.924 120.570 -0.087 0.000 2.493 39 I HA 0.080 4.252 4.170 0.003 0.000 0.254 39 I C 2.215 178.301 176.117 -0.052 0.000 1.160 39 I CA 1.015 62.282 61.300 -0.055 0.000 1.445 39 I CB -0.715 37.266 38.000 -0.032 0.000 1.086 39 I HN 0.338 8.548 8.210 0.000 0.000 0.433 40 A N 0.395 123.183 122.820 -0.053 0.000 1.883 40 A HA -0.259 4.062 4.320 0.003 0.000 0.217 40 A C 2.322 179.876 177.584 -0.051 0.000 1.186 40 A CA 1.971 53.981 52.037 -0.045 0.000 0.624 40 A CB -0.616 18.358 19.000 -0.043 0.000 0.822 40 A HN 0.473 8.623 8.150 0.000 0.000 0.444 41 K N -0.890 119.478 120.400 -0.053 0.000 2.147 41 K HA -0.109 4.213 4.320 0.003 0.000 0.205 41 K C 2.187 178.754 176.600 -0.055 0.000 1.049 41 K CA 1.101 57.357 56.287 -0.052 0.000 0.936 41 K CB -0.135 32.337 32.500 -0.047 0.000 0.722 41 K HN 0.260 8.510 8.250 0.000 0.000 0.446 42 R N 0.865 121.329 120.500 -0.060 0.000 2.073 42 R HA 0.013 4.355 4.340 0.003 0.000 0.229 42 R C 2.289 178.530 176.300 -0.097 0.000 1.120 42 R CA 1.007 57.064 56.100 -0.073 0.000 0.967 42 R CB -0.647 29.604 30.300 -0.082 0.000 0.862 42 R HN 0.240 8.510 8.270 0.000 0.000 0.436 43 L N 0.835 122.001 121.223 -0.096 0.000 2.217 43 L HA -0.077 4.265 4.340 0.003 0.000 0.211 43 L C 2.697 179.502 176.870 -0.108 0.000 1.107 43 L CA 0.897 55.672 54.840 -0.108 0.000 0.783 43 L CB -0.392 41.630 42.059 -0.062 0.000 0.919 43 L HN 0.241 8.471 8.230 0.000 0.000 0.442 44 Q N 0.368 120.119 119.800 -0.082 0.000 2.167 44 Q HA -0.178 4.164 4.340 0.003 0.000 0.202 44 Q C 2.241 178.194 176.000 -0.077 0.000 0.970 44 Q CA 1.682 57.441 55.803 -0.074 0.000 0.855 44 Q CB 0.084 28.787 28.738 -0.059 0.000 0.911 44 Q HN 0.552 8.822 8.270 0.000 0.000 0.438 45 S N 0.253 115.908 115.700 -0.075 0.000 2.547 45 S HA -0.078 4.394 4.470 0.003 0.000 0.235 45 S C 1.458 176.008 174.600 -0.084 0.000 0.980 45 S CA 0.776 58.936 58.200 -0.066 0.000 0.941 45 S CB -0.441 62.727 63.200 -0.052 0.000 0.763 45 S HN 0.579 8.889 8.310 0.000 0.000 0.532 46 I N -3.867 116.631 120.570 -0.120 0.000 3.817 46 I HA 0.623 4.795 4.170 0.003 0.000 0.325 46 I C 1.061 177.070 176.117 -0.180 0.000 1.550 46 I CA -0.285 60.918 61.300 -0.161 0.000 1.100 46 I CB -0.137 37.723 38.000 -0.233 0.000 1.216 46 I HN 0.189 8.399 8.210 0.000 0.000 0.481 47 G N 1.703 110.424 108.800 -0.133 0.000 2.200 47 G HA2 -0.280 3.682 3.960 0.003 0.000 0.267 47 G HA3 -0.280 3.682 3.960 0.003 0.000 0.267 47 G C 0.239 175.054 174.900 -0.141 0.000 0.993 47 G CA 0.914 45.942 45.100 -0.120 0.000 0.701 47 G HN 0.514 8.804 8.290 0.000 0.000 0.524 48 T N 0.638 115.085 114.554 -0.179 0.000 2.780 48 T HA 0.427 4.779 4.350 0.003 0.000 0.294 48 T C 0.381 175.021 174.700 -0.099 0.000 0.949 48 T CA -0.162 61.828 62.100 -0.183 0.000 1.074 48 T CB 1.738 70.427 68.868 -0.300 0.000 0.910 48 T HN 0.440 8.680 8.240 0.000 0.000 0.501 49 E N 2.728 122.888 120.200 -0.067 0.000 2.414 49 E HA -0.038 4.314 4.350 0.003 0.000 0.263 49 E C 0.161 176.759 176.600 -0.004 0.000 1.000 49 E CA -0.322 56.059 56.400 -0.032 0.000 0.914 49 E CB 0.358 30.045 29.700 -0.022 0.000 0.948 49 E HN 0.472 8.832 8.360 0.000 0.000 0.444 50 N N 3.397 122.096 118.700 -0.001 0.000 2.968 50 N HA 0.026 4.768 4.740 0.003 0.000 0.271 50 N C -1.123 174.409 175.510 0.036 0.000 1.174 50 N CA -0.116 52.945 53.050 0.018 0.000 1.096 50 N CB 0.223 38.710 38.487 -0.000 0.000 1.403 50 N HN 0.441 8.821 8.380 0.000 0.000 0.522 51 T N -1.751 112.838 114.554 0.059 0.000 2.937 51 T HA 0.271 4.623 4.350 0.003 0.000 0.283 51 T C 0.961 175.720 174.700 0.098 0.000 1.012 51 T CA -0.746 61.394 62.100 0.067 0.000 0.997 51 T CB 1.479 70.383 68.868 0.061 0.000 1.136 51 T HN 0.350 8.590 8.240 0.000 0.000 0.551 52 E N -0.179 120.081 120.200 0.100 0.000 2.106 52 E HA -0.176 4.176 4.350 0.003 0.000 0.192 52 E C 1.816 178.509 176.600 0.155 0.000 0.984 52 E CA 1.126 57.602 56.400 0.126 0.000 0.806 52 E CB -0.019 29.751 29.700 0.117 0.000 0.750 52 E HN 0.756 9.116 8.360 0.000 0.000 0.458 53 E N 1.007 121.291 120.200 0.140 0.000 2.072 53 E HA -0.176 4.176 4.350 0.003 0.000 0.191 53 E C 1.684 178.424 176.600 0.234 0.000 0.985 53 E CA 1.533 58.032 56.400 0.165 0.000 0.801 53 E CB -0.184 29.584 29.700 0.114 0.000 0.750 53 E HN 0.240 8.600 8.360 0.000 0.000 0.452 54 N N 0.337 119.169 118.700 0.220 0.000 2.142 54 N HA -0.094 4.648 4.740 0.003 0.000 0.186 54 N C 1.843 177.582 175.510 0.381 0.000 1.023 54 N CA 1.106 54.350 53.050 0.323 0.000 0.852 54 N CB -0.237 38.393 38.487 0.238 0.000 0.998 54 N HN 0.209 8.589 8.380 0.000 0.000 0.424 55 R N 0.883 121.544 120.500 0.268 0.000 2.081 55 R HA -0.011 4.331 4.340 0.003 0.000 0.235 55 R C 2.326 178.765 176.300 0.232 0.000 1.131 55 R CA 0.738 56.984 56.100 0.244 0.000 0.960 55 R CB -0.212 30.190 30.300 0.170 0.000 0.856 55 R HN 0.230 8.500 8.270 0.000 0.000 0.436 56 R N 0.281 120.932 120.500 0.252 0.000 2.073 56 R HA -0.177 4.165 4.340 0.003 0.000 0.234 56 R C 2.131 178.590 176.300 0.265 0.000 1.134 56 R CA 1.643 57.919 56.100 0.293 0.000 0.952 56 R CB -0.370 30.110 30.300 0.300 0.000 0.850 56 R HN 0.140 8.410 8.270 0.000 0.000 0.433 57 F N 0.506 120.540 119.950 0.141 0.000 2.126 57 F HA -0.272 4.254 4.527 -0.001 0.000 0.299 57 F C 2.112 177.844 175.800 -0.113 0.000 1.096 57 F CA 1.701 59.741 58.000 0.066 0.000 1.255 57 F CB -0.661 38.419 39.000 0.134 0.000 0.997 57 F HN 0.112 8.412 8.300 0.000 0.000 0.479 58 Y N 1.074 121.248 120.300 -0.211 0.000 2.145 58 Y HA -0.209 4.336 4.550 -0.008 0.000 0.286 58 Y C 2.453 178.053 175.900 -0.501 0.000 1.145 58 Y CA 1.829 59.592 58.100 -0.562 0.000 1.148 58 Y CB -0.661 37.640 38.460 -0.264 0.000 0.981 58 Y HN -0.106 8.174 8.280 0.000 0.000 0.507 59 R N 0.512 120.712 120.500 -0.499 0.000 2.096 59 R HA -0.168 4.174 4.340 0.003 0.000 0.235 59 R C 2.437 178.279 176.300 -0.763 0.000 1.127 59 R CA 1.697 57.376 56.100 -0.701 0.000 0.968 59 R CB -0.937 28.991 30.300 -0.621 0.000 0.861 59 R HN 0.620 8.890 8.270 0.000 0.000 0.440 60 Q N 0.313 119.783 119.800 -0.550 0.000 2.096 60 Q HA -0.161 4.181 4.340 0.003 0.000 0.204 60 Q C 1.999 177.724 176.000 -0.458 0.000 0.982 60 Q CA 1.598 57.205 55.803 -0.326 0.000 0.850 60 Q CB -0.223 28.477 28.738 -0.063 0.000 0.901 60 Q HN 0.434 8.704 8.270 0.000 0.000 0.422 61 L N 0.270 121.085 121.223 -0.681 0.000 2.012 61 L HA -0.228 4.114 4.340 0.003 0.000 0.210 61 L C 2.179 178.729 176.870 -0.533 0.000 1.073 61 L CA 1.303 55.751 54.840 -0.653 0.000 0.748 61 L CB -0.160 41.391 42.059 -0.846 0.000 0.891 61 L HN 0.351 8.581 8.230 0.000 0.000 0.431 62 L N -0.739 120.063 121.223 -0.701 0.000 2.044 62 L HA -0.208 4.134 4.340 0.003 0.000 0.205 62 L C 2.492 179.063 176.870 -0.499 0.000 1.075 62 L CA 1.027 55.404 54.840 -0.773 0.000 0.747 62 L CB -0.506 40.970 42.059 -0.971 0.000 0.903 62 L HN 0.286 8.516 8.230 0.000 0.000 0.435 63 L N -0.335 120.625 121.223 -0.438 0.000 2.191 63 L HA -0.126 4.216 4.340 0.003 0.000 0.212 63 L C 2.130 178.930 176.870 -0.116 0.000 1.103 63 L CA 1.556 56.242 54.840 -0.256 0.000 0.769 63 L CB -0.879 40.989 42.059 -0.318 0.000 0.908 63 L HN 0.454 8.684 8.230 0.000 0.000 0.438 64 T N -2.980 111.496 114.554 -0.130 0.000 3.186 64 T HA 0.475 4.827 4.350 0.003 0.000 0.257 64 T C 0.706 175.386 174.700 -0.032 0.000 1.029 64 T CA -0.077 61.989 62.100 -0.057 0.000 0.916 64 T CB -0.016 68.818 68.868 -0.057 0.000 1.041 64 T HN 0.168 8.408 8.240 0.000 0.000 0.562 65 A N 2.458 125.278 122.820 0.001 0.000 2.475 65 A HA 0.418 4.740 4.320 0.003 0.000 0.239 65 A C 0.567 178.175 177.584 0.039 0.000 1.087 65 A CA -0.278 51.792 52.037 0.056 0.000 0.779 65 A CB -0.308 18.815 19.000 0.205 0.000 1.036 65 A HN 0.783 8.933 8.150 0.000 0.000 0.506 66 D N -0.038 120.379 120.400 0.028 0.000 2.346 66 D HA 0.005 4.647 4.640 0.003 0.000 0.236 66 D C 0.115 176.423 176.300 0.013 0.000 1.259 66 D CA 0.124 54.133 54.000 0.016 0.000 0.898 66 D CB 0.357 41.163 40.800 0.011 0.000 1.178 66 D HN 0.430 8.800 8.370 0.000 0.000 0.457 67 D N -0.211 120.195 120.400 0.010 0.000 2.389 67 D HA -0.126 4.516 4.640 0.003 0.000 0.221 67 D C 1.668 177.968 176.300 0.000 0.000 0.974 67 D CA 0.560 54.564 54.000 0.008 0.000 0.923 67 D CB -0.083 40.722 40.800 0.008 0.000 0.892 67 D HN 0.438 8.808 8.370 0.000 0.000 0.518 68 R N 0.320 120.815 120.500 -0.008 0.000 2.152 68 R HA -0.086 4.256 4.340 0.003 0.000 0.232 68 R C 2.331 178.610 176.300 -0.034 0.000 1.117 68 R CA 0.788 56.876 56.100 -0.019 0.000 0.981 68 R CB -0.067 30.217 30.300 -0.027 0.000 0.870 68 R HN 0.223 8.493 8.270 0.000 0.000 0.451 69 V N -1.663 118.227 119.914 -0.040 0.000 3.129 69 V HA -0.044 4.078 4.120 0.003 0.000 0.259 69 V C 1.254 177.344 176.094 -0.006 0.000 1.116 69 V CA 1.155 63.421 62.300 -0.057 0.000 1.127 69 V CB -0.389 31.389 31.823 -0.074 0.000 0.742 69 V HN 0.083 8.273 8.190 0.000 0.000 0.474 70 N N 2.101 120.805 118.700 0.006 0.000 2.060 70 N HA -0.110 4.632 4.740 0.003 0.000 0.195 70 N C -0.572 174.945 175.510 0.012 0.000 1.028 70 N CA 2.600 55.659 53.050 0.014 0.000 0.861 70 N CB -1.824 36.670 38.487 0.012 0.000 1.029 70 N HN 0.468 8.848 8.380 0.000 0.000 0.428 71 P HA 0.126 4.546 4.420 0.000 0.000 0.233 71 P C 0.524 177.834 177.300 0.018 0.000 1.167 71 P CA 0.612 63.718 63.100 0.009 0.000 0.770 71 P CB 0.127 31.832 31.700 0.008 0.000 0.837 72 C N -1.418 117.898 119.300 0.027 0.000 2.512 72 C HA 0.180 4.642 4.460 0.003 0.000 0.276 72 C C 1.014 176.067 174.990 0.106 0.000 1.368 72 C CA 0.028 59.090 59.018 0.074 0.000 1.755 72 C CB -0.478 27.287 27.740 0.042 0.000 2.008 72 C HN 0.093 8.323 8.230 0.000 0.000 0.511 73 I N 1.951 122.556 120.570 0.059 0.000 2.328 73 I HA 0.282 4.454 4.170 0.003 0.000 0.287 73 I C 1.280 177.388 176.117 -0.014 0.000 1.012 73 I CA 0.185 61.512 61.300 0.045 0.000 1.195 73 I CB 0.377 38.434 38.000 0.096 0.000 1.350 73 I HN 0.247 8.457 8.210 0.000 0.000 0.464 74 G N 4.647 113.393 108.800 -0.089 0.000 2.662 74 G HA2 0.335 4.297 3.960 0.003 0.000 0.212 74 G HA3 0.335 4.297 3.960 0.003 0.000 0.212 74 G C 0.600 175.450 174.900 -0.084 0.000 1.141 74 G CA 0.288 45.326 45.100 -0.103 0.000 0.797 74 G HN 0.719 9.009 8.290 0.000 0.000 0.531 75 G N -1.267 107.494 108.800 -0.064 0.000 2.718 75 G HA2 0.484 4.446 3.960 0.003 0.000 0.295 75 G HA3 0.484 4.446 3.960 0.003 0.000 0.295 75 G C -2.061 172.945 174.900 0.177 0.000 1.421 75 G CA -0.381 44.762 45.100 0.072 0.000 0.902 75 G HN 0.330 8.620 8.290 0.000 0.000 0.501 76 V N 1.932 122.003 119.914 0.262 0.000 2.482 76 V HA 0.408 4.530 4.120 0.003 0.000 0.295 76 V C -0.116 176.018 176.094 0.066 0.000 1.026 76 V CA -0.574 61.805 62.300 0.132 0.000 0.856 76 V CB 1.450 33.288 31.823 0.025 0.000 1.001 76 V HN 0.673 8.863 8.190 0.000 0.000 0.424 77 I N 5.927 126.531 120.570 0.057 0.000 2.371 77 I HA 0.413 4.585 4.170 0.003 0.000 0.290 77 I C -0.300 175.761 176.117 -0.093 0.000 1.028 77 I CA -0.046 61.209 61.300 -0.075 0.000 1.345 77 I CB 0.872 38.888 38.000 0.026 0.000 1.407 77 I HN 0.366 8.576 8.210 0.000 0.000 0.501 78 L N 5.431 126.559 121.223 -0.158 0.000 2.303 78 L HA 0.535 4.877 4.340 0.003 0.000 0.266 78 L C -0.547 176.301 176.870 -0.036 0.000 1.011 78 L CA -0.806 53.972 54.840 -0.102 0.000 0.818 78 L CB 1.994 43.962 42.059 -0.153 0.000 1.326 78 L HN 0.382 8.612 8.230 0.000 0.000 0.435 79 F N -0.474 119.415 119.950 -0.101 0.000 2.377 79 F HA 0.248 4.790 4.527 0.023 0.000 0.328 79 F C 1.423 177.225 175.800 0.002 0.000 1.094 79 F CA -0.063 57.915 58.000 -0.037 0.000 1.093 79 F CB 0.942 39.947 39.000 0.008 0.000 1.214 79 F HN 0.534 8.834 8.300 0.000 0.000 0.518 80 H N 1.742 120.351 119.070 -0.769 0.000 2.292 80 H HA -0.250 4.306 4.556 0.001 0.000 0.292 80 H C 2.140 177.470 175.328 0.003 0.000 1.100 80 H CA 2.670 58.511 56.048 -0.346 0.000 1.238 80 H CB -0.078 29.454 29.762 -0.383 0.000 1.355 80 H HN 0.828 9.108 8.280 0.000 0.000 0.484 81 E N -0.957 119.363 120.200 0.199 0.000 2.049 81 E HA -0.215 4.137 4.350 0.003 0.000 0.198 81 E C 1.970 178.716 176.600 0.244 0.000 1.007 81 E CA 2.153 58.754 56.400 0.334 0.000 0.809 81 E CB -0.131 29.844 29.700 0.458 0.000 0.749 81 E HN 0.620 8.980 8.360 0.000 0.000 0.450 82 T N 1.453 116.140 114.554 0.220 0.000 2.833 82 T HA -0.156 4.196 4.350 0.003 0.000 0.269 82 T C 1.762 176.535 174.700 0.121 0.000 1.054 82 T CA 0.985 63.201 62.100 0.193 0.000 1.135 82 T CB -0.249 68.664 68.868 0.074 0.000 0.869 82 T HN 0.131 8.371 8.240 0.000 0.000 0.466 83 L N 0.261 121.411 121.223 -0.121 0.000 2.265 83 L HA -0.031 4.311 4.340 0.003 0.000 0.215 83 L C 1.040 177.573 176.870 -0.562 0.000 1.117 83 L CA 1.595 56.199 54.840 -0.394 0.000 0.782 83 L CB -0.491 41.163 42.059 -0.674 0.000 0.914 83 L HN 0.296 8.526 8.230 0.000 0.000 0.441 84 Y N -1.281 119.007 120.300 -0.021 0.000 2.555 84 Y HA 0.340 4.892 4.550 0.003 0.000 0.259 84 Y C 0.831 176.722 175.900 -0.014 0.000 1.179 84 Y CA -0.640 57.443 58.100 -0.029 0.000 1.230 84 Y CB -0.147 38.279 38.460 -0.057 0.000 1.146 84 Y HN 0.227 8.507 8.280 0.000 0.000 0.526 85 Q N 0.595 120.452 119.800 0.095 0.000 2.180 85 Q HA 0.493 4.835 4.340 0.003 0.000 0.241 85 Q C -0.562 175.139 176.000 -0.497 0.000 0.970 85 Q CA -0.801 54.982 55.803 -0.034 0.000 0.919 85 Q CB 1.727 30.594 28.738 0.214 0.000 1.222 85 Q HN 0.140 8.410 8.270 0.000 0.000 0.482 86 K N -0.065 119.960 120.400 -0.626 0.000 2.385 86 K HA 0.659 4.981 4.320 0.003 0.000 0.248 86 K C -1.005 175.099 176.600 -0.826 0.000 0.955 86 K CA -0.717 55.118 56.287 -0.753 0.000 0.816 86 K CB 1.920 34.229 32.500 -0.319 0.000 1.250 86 K HN 0.633 8.883 8.250 0.000 0.000 0.434 87 A N 0.749 123.175 122.820 -0.657 0.000 2.280 87 A HA 0.085 4.407 4.320 0.003 0.000 0.268 87 A C 0.396 177.919 177.584 -0.103 0.000 1.111 87 A CA -0.134 51.763 52.037 -0.234 0.000 0.814 87 A CB 0.037 19.009 19.000 -0.047 0.000 1.093 87 A HN 0.838 8.988 8.150 0.000 0.000 0.498 88 D N 0.042 120.442 120.400 0.001 0.000 2.265 88 D HA -0.132 4.510 4.640 0.003 0.000 0.208 88 D C 0.628 176.931 176.300 0.003 0.000 0.977 88 D CA 1.686 55.702 54.000 0.027 0.000 0.871 88 D CB -0.144 40.701 40.800 0.076 0.000 0.925 88 D HN 0.701 9.071 8.370 0.000 0.000 0.485 89 D N -1.181 119.212 120.400 -0.012 0.000 2.325 89 D HA 0.146 4.788 4.640 0.003 0.000 0.225 89 D C 1.529 177.810 176.300 -0.031 0.000 1.096 89 D CA 0.527 54.520 54.000 -0.012 0.000 0.844 89 D CB -0.056 40.740 40.800 -0.005 0.000 0.925 89 D HN 0.161 8.531 8.370 0.000 0.000 0.513 90 G N 0.425 109.192 108.800 -0.056 0.000 2.205 90 G HA2 -0.345 3.617 3.960 0.003 0.000 0.261 90 G HA3 -0.345 3.617 3.960 0.003 0.000 0.261 90 G C 0.328 175.173 174.900 -0.091 0.000 0.980 90 G CA -0.101 44.958 45.100 -0.068 0.000 0.632 90 G HN 0.453 8.743 8.290 0.000 0.000 0.533 91 R N 1.274 121.717 120.500 -0.095 0.000 2.401 91 R HA 0.359 4.701 4.340 0.003 0.000 0.299 91 R C -2.437 173.761 176.300 -0.169 0.000 1.064 91 R CA -1.482 54.563 56.100 -0.092 0.000 1.000 91 R CB 0.479 30.749 30.300 -0.049 0.000 0.973 91 R HN 0.148 8.418 8.270 0.000 0.000 0.438 92 P HA -0.052 4.368 4.420 0.000 0.000 0.268 92 P C 0.174 177.408 177.300 -0.111 0.000 1.205 92 P CA 0.072 63.072 63.100 -0.168 0.000 0.771 92 P CB 0.349 32.002 31.700 -0.078 0.000 0.858 93 F N 3.914 123.826 119.950 -0.064 0.000 2.154 93 F HA -0.125 4.410 4.527 0.013 0.000 0.301 93 F C -0.500 175.250 175.800 -0.085 0.000 1.087 93 F CA 1.757 59.709 58.000 -0.080 0.000 1.274 93 F CB -2.633 36.309 39.000 -0.096 0.000 1.009 93 F HN 0.442 8.742 8.300 0.000 0.000 0.485 94 P HA -0.209 4.211 4.420 0.000 0.000 0.218 94 P C 1.681 178.992 177.300 0.018 0.000 1.148 94 P CA 1.628 64.732 63.100 0.007 0.000 0.822 94 P CB -0.151 31.518 31.700 -0.052 0.000 0.784 95 Q N -0.297 119.513 119.800 0.017 0.000 2.083 95 Q HA -0.105 4.237 4.340 0.003 0.000 0.198 95 Q C 1.879 177.896 176.000 0.029 0.000 0.969 95 Q CA 1.344 57.156 55.803 0.014 0.000 0.838 95 Q CB -0.408 28.329 28.738 -0.001 0.000 0.900 95 Q HN 0.010 8.280 8.270 0.000 0.000 0.436 96 V N 1.158 121.104 119.914 0.054 0.000 2.287 96 V HA -0.304 3.818 4.120 0.003 0.000 0.248 96 V C 2.303 178.426 176.094 0.049 0.000 1.053 96 V CA 1.807 64.146 62.300 0.066 0.000 1.027 96 V CB -0.522 31.384 31.823 0.137 0.000 0.646 96 V HN 0.394 8.584 8.190 0.000 0.000 0.447 97 I N -0.197 120.402 120.570 0.048 0.000 2.163 97 I HA -0.294 3.878 4.170 0.003 0.000 0.243 97 I C 2.602 178.738 176.117 0.031 0.000 1.085 97 I CA 2.039 63.356 61.300 0.029 0.000 1.347 97 I CB -0.445 37.565 38.000 0.017 0.000 1.044 97 I HN 0.265 8.475 8.210 0.000 0.000 0.408 98 K N 1.017 121.435 120.400 0.029 0.000 2.097 98 K HA -0.192 4.130 4.320 0.003 0.000 0.206 98 K C 2.268 178.882 176.600 0.024 0.000 1.049 98 K CA 1.804 58.108 56.287 0.028 0.000 0.933 98 K CB -0.079 32.435 32.500 0.024 0.000 0.717 98 K HN 0.386 8.636 8.250 0.000 0.000 0.442 99 S N 0.392 116.105 115.700 0.022 0.000 2.442 99 S HA -0.107 4.365 4.470 0.003 0.000 0.236 99 S C 1.277 175.889 174.600 0.019 0.000 1.007 99 S CA 0.980 59.191 58.200 0.019 0.000 0.965 99 S CB -0.119 63.092 63.200 0.018 0.000 0.773 99 S HN 0.297 8.607 8.310 0.000 0.000 0.504 100 K N 0.672 121.085 120.400 0.023 0.000 2.410 100 K HA 0.342 4.663 4.320 0.003 0.000 0.200 100 K C 0.954 177.567 176.600 0.021 0.000 1.023 100 K CA 0.277 56.578 56.287 0.022 0.000 1.149 100 K CB 0.137 32.653 32.500 0.027 0.000 0.859 100 K HN 0.487 8.737 8.250 0.000 0.000 0.514 101 G N 1.062 109.874 108.800 0.020 0.000 2.147 101 G HA2 -0.230 3.732 3.960 0.003 0.000 0.244 101 G HA3 -0.230 3.732 3.960 0.003 0.000 0.244 101 G C 0.216 175.128 174.900 0.020 0.000 1.005 101 G CA -0.093 45.018 45.100 0.018 0.000 0.713 101 G HN 0.477 8.767 8.290 0.000 0.000 0.515 102 G N -1.355 107.463 108.800 0.029 0.000 2.441 102 G HA2 0.727 4.689 3.960 0.003 0.000 0.334 102 G HA3 0.727 4.689 3.960 0.003 0.000 0.334 102 G C -0.247 174.691 174.900 0.063 0.000 1.161 102 G CA -0.223 44.901 45.100 0.040 0.000 0.935 102 G HN 0.854 9.144 8.290 0.000 0.000 0.488 103 V N 0.709 120.682 119.914 0.098 0.000 2.539 103 V HA 0.333 4.455 4.120 0.003 0.000 0.292 103 V C 0.233 176.499 176.094 0.287 0.000 1.045 103 V CA -0.616 61.789 62.300 0.175 0.000 0.945 103 V CB 1.598 33.527 31.823 0.178 0.000 0.993 103 V HN 0.487 8.677 8.190 0.000 0.000 0.464 104 V N 3.565 123.577 119.914 0.162 0.000 2.465 104 V HA 0.708 4.830 4.120 0.003 0.000 0.279 104 V C 0.761 176.630 176.094 -0.375 0.000 1.045 104 V CA 0.005 62.291 62.300 -0.024 0.000 0.938 104 V CB 1.215 32.990 31.823 -0.080 0.000 0.986 104 V HN 1.015 9.205 8.190 0.000 0.000 0.467 105 G N 3.345 111.644 108.800 -0.835 0.000 2.511 105 G HA2 0.754 4.716 3.960 0.003 0.000 0.318 105 G HA3 0.754 4.716 3.960 0.003 0.000 0.318 105 G C -1.579 172.866 174.900 -0.758 0.000 1.210 105 G CA -0.566 43.553 45.100 -1.635 0.000 0.969 105 G HN 0.616 8.906 8.290 0.000 0.000 0.484 106 I N -0.439 119.756 120.570 -0.625 0.000 2.569 106 I HA 0.447 4.619 4.170 0.003 0.000 0.290 106 I C -0.328 175.603 176.117 -0.310 0.000 1.088 106 I CA -1.119 59.887 61.300 -0.489 0.000 1.047 106 I CB 2.122 39.669 38.000 -0.756 0.000 1.237 106 I HN 0.384 8.594 8.210 0.000 0.000 0.421 107 K N 5.829 126.100 120.400 -0.215 0.000 2.339 107 K HA 0.358 4.680 4.320 0.003 0.000 0.286 107 K C 0.432 176.976 176.600 -0.093 0.000 1.050 107 K CA 0.160 56.394 56.287 -0.087 0.000 0.956 107 K CB 0.874 33.381 32.500 0.012 0.000 0.990 107 K HN 0.634 8.884 8.250 0.000 0.000 0.475 108 V N -0.035 119.884 119.914 0.008 0.000 3.548 108 V HA 0.077 4.199 4.120 0.003 0.000 0.279 108 V C 0.211 176.318 176.094 0.023 0.000 1.446 108 V CA -0.017 62.348 62.300 0.108 0.000 1.023 108 V CB -0.340 31.666 31.823 0.305 0.000 0.820 108 V HN 0.810 9.000 8.190 0.000 0.000 0.438 109 D N 1.044 121.303 120.400 -0.236 0.000 2.371 109 D HA 0.208 4.850 4.640 0.003 0.000 0.242 109 D C 0.265 176.316 176.300 -0.415 0.000 1.218 109 D CA -0.244 53.308 54.000 -0.746 0.000 0.945 109 D CB 0.669 40.609 40.800 -1.433 0.000 1.137 109 D HN 0.265 8.635 8.370 0.000 0.000 0.464 110 K N 0.294 120.434 120.400 -0.432 0.000 2.726 110 K HA 0.438 4.760 4.320 0.003 0.000 0.209 110 K C 0.138 176.619 176.600 -0.199 0.000 1.082 110 K CA -0.296 55.864 56.287 -0.212 0.000 1.081 110 K CB 0.643 33.067 32.500 -0.126 0.000 0.830 110 K HN 0.731 8.981 8.250 0.000 0.000 0.470 111 G N 0.818 109.456 108.800 -0.270 0.000 2.781 111 G HA2 -0.232 3.729 3.960 0.003 0.000 0.683 111 G HA3 -0.232 3.729 3.960 0.003 0.000 0.683 111 G C -0.257 174.529 174.900 -0.189 0.000 1.390 111 G CA -0.560 44.422 45.100 -0.197 0.000 0.850 111 G HN 0.219 8.509 8.290 0.000 0.000 0.557 112 V N -1.662 118.176 119.914 -0.128 0.000 2.834 112 V HA 0.865 4.987 4.120 0.003 0.000 0.301 112 V C 1.014 177.077 176.094 -0.051 0.000 1.066 112 V CA 0.131 62.380 62.300 -0.085 0.000 1.052 112 V CB 1.165 32.952 31.823 -0.060 0.000 1.021 112 V HN 2.266 10.456 8.190 0.000 0.000 0.480 113 V N -0.216 119.682 119.914 -0.027 0.000 2.925 113 V HA 0.745 4.867 4.120 0.003 0.000 0.311 113 V C -2.728 173.366 176.094 -0.000 0.000 1.104 113 V CA -2.253 60.040 62.300 -0.012 0.000 0.954 113 V CB 1.835 33.655 31.823 -0.005 0.000 1.022 113 V HN 0.895 9.085 8.190 0.000 0.000 0.427 114 P HA 0.286 4.706 4.420 0.000 0.000 0.271 114 P C -0.729 176.580 177.300 0.013 0.000 1.216 114 P CA -0.077 63.028 63.100 0.008 0.000 0.776 114 P CB 1.133 32.838 31.700 0.008 0.000 0.881 115 L N 2.728 123.961 121.223 0.016 0.000 2.255 115 L HA 0.360 4.702 4.340 0.003 0.000 0.289 115 L C 1.045 177.926 176.870 0.017 0.000 1.046 115 L CA -0.796 54.056 54.840 0.019 0.000 0.816 115 L CB 0.814 42.886 42.059 0.022 0.000 1.197 115 L HN 0.441 8.671 8.230 0.000 0.000 0.427 116 A N 2.704 125.533 122.820 0.015 0.000 2.520 116 A HA 0.419 4.741 4.320 0.003 0.000 0.235 116 A C 1.292 178.884 177.584 0.013 0.000 1.065 116 A CA 0.691 52.736 52.037 0.013 0.000 0.764 116 A CB 0.053 19.060 19.000 0.012 0.000 1.002 116 A HN 1.131 9.281 8.150 0.000 0.000 0.502 117 G N 0.858 109.664 108.800 0.011 0.000 2.159 117 G HA2 -0.122 3.840 3.960 0.003 0.000 0.256 117 G HA3 -0.122 3.840 3.960 0.003 0.000 0.256 117 G C 0.461 175.367 174.900 0.010 0.000 0.977 117 G CA 1.308 46.413 45.100 0.009 0.000 0.652 117 G HN 2.275 10.565 8.290 0.000 0.000 0.531 118 T N -2.748 111.816 114.554 0.016 0.000 2.940 118 T HA 0.609 4.961 4.350 0.003 0.000 0.288 118 T C -0.052 174.667 174.700 0.032 0.000 1.045 118 T CA -0.206 61.908 62.100 0.023 0.000 1.018 118 T CB 1.929 70.813 68.868 0.026 0.000 1.151 118 T HN 0.260 8.500 8.240 0.000 0.000 0.529 119 N N 0.191 118.919 118.700 0.047 0.000 3.188 119 N HA 0.386 5.128 4.740 0.003 0.000 0.279 119 N C 1.211 176.749 175.510 0.047 0.000 1.213 119 N CA 0.731 53.817 53.050 0.059 0.000 1.138 119 N CB -0.945 37.603 38.487 0.102 0.000 1.417 119 N HN 1.209 9.589 8.380 0.000 0.000 0.526 120 G N 0.973 109.794 108.800 0.035 0.000 2.160 120 G HA2 -0.272 3.690 3.960 0.003 0.000 0.251 120 G HA3 -0.272 3.690 3.960 0.003 0.000 0.251 120 G C -0.139 174.775 174.900 0.024 0.000 1.008 120 G CA 0.139 45.255 45.100 0.027 0.000 0.724 120 G HN 0.577 8.867 8.290 0.000 0.000 0.514 121 E N 0.123 120.338 120.200 0.025 0.000 2.318 121 E HA 0.620 4.972 4.350 0.003 0.000 0.265 121 E C 0.721 177.331 176.600 0.018 0.000 1.069 121 E CA 0.204 56.618 56.400 0.023 0.000 0.893 121 E CB 1.077 30.794 29.700 0.027 0.000 1.076 121 E HN 0.459 8.819 8.360 0.000 0.000 0.414 122 T N -1.845 112.719 114.554 0.016 0.000 2.838 122 T HA 0.572 4.924 4.350 0.003 0.000 0.292 122 T C -0.265 174.449 174.700 0.023 0.000 1.113 122 T CA -0.775 61.334 62.100 0.014 0.000 1.008 122 T CB 2.004 70.874 68.868 0.002 0.000 1.259 122 T HN 0.389 8.629 8.240 0.000 0.000 0.520 123 T N -0.585 113.985 114.554 0.027 0.000 2.831 123 T HA 0.709 5.061 4.350 0.003 0.000 0.287 123 T C -1.150 173.576 174.700 0.044 0.000 1.070 123 T CA -0.442 61.689 62.100 0.052 0.000 1.010 123 T CB 1.713 70.620 68.868 0.064 0.000 1.264 123 T HN 0.875 9.115 8.240 0.000 0.000 0.532 124 T N 2.138 116.750 114.554 0.097 0.000 2.863 124 T HA 0.578 4.930 4.350 0.003 0.000 0.285 124 T C -0.648 174.101 174.700 0.082 0.000 1.009 124 T CA -0.740 61.361 62.100 0.002 0.000 0.989 124 T CB 1.564 70.357 68.868 -0.124 0.000 1.004 124 T HN 0.732 8.972 8.240 0.000 0.000 0.455 125 Q N 0.620 120.366 119.800 -0.089 0.000 2.240 125 Q HA 0.774 5.116 4.340 0.003 0.000 0.260 125 Q C 0.484 176.387 176.000 -0.160 0.000 1.018 125 Q CA -1.032 54.774 55.803 0.004 0.000 0.898 125 Q CB 1.453 30.189 28.738 -0.004 0.000 1.301 125 Q HN 0.865 9.135 8.270 0.000 0.000 0.469 126 G N -0.305 108.552 108.800 0.095 0.000 2.507 126 G HA2 -0.151 3.811 3.960 0.003 0.000 0.205 126 G HA3 -0.151 3.811 3.960 0.003 0.000 0.205 126 G C 0.371 175.508 174.900 0.395 0.000 0.996 126 G CA -0.003 45.161 45.100 0.107 0.000 0.776 126 G HN 0.490 8.780 8.290 0.000 0.000 0.532 127 L N 0.711 122.179 121.223 0.409 0.000 2.240 127 L HA 0.174 4.516 4.340 0.003 0.000 0.211 127 L C 0.540 177.511 176.870 0.168 0.000 1.106 127 L CA 0.343 55.351 54.840 0.280 0.000 0.793 127 L CB -0.283 41.886 42.059 0.184 0.000 0.927 127 L HN 0.063 8.293 8.230 0.000 0.000 0.446 128 D N 1.254 121.733 120.400 0.132 0.000 2.434 128 D HA 0.182 4.824 4.640 0.003 0.000 0.252 128 D C 1.251 177.596 176.300 0.074 0.000 1.185 128 D CA 1.146 55.196 54.000 0.084 0.000 0.886 128 D CB 0.763 41.599 40.800 0.061 0.000 1.148 128 D HN 0.289 8.659 8.370 0.000 0.000 0.483 129 G N 2.079 110.913 108.800 0.057 0.000 2.187 129 G HA2 -0.348 3.614 3.960 0.003 0.000 0.261 129 G HA3 -0.348 3.614 3.960 0.003 0.000 0.261 129 G C 1.014 175.949 174.900 0.058 0.000 1.000 129 G CA 0.563 45.688 45.100 0.041 0.000 0.718 129 G HN 0.511 8.801 8.290 0.000 0.000 0.519 130 L N 0.981 122.263 121.223 0.098 0.000 2.083 130 L HA 0.096 4.438 4.340 0.003 0.000 0.209 130 L C 2.734 179.666 176.870 0.103 0.000 1.083 130 L CA 3.019 57.942 54.840 0.139 0.000 0.752 130 L CB -0.786 41.392 42.059 0.199 0.000 0.899 130 L HN 0.373 8.603 8.230 0.000 0.000 0.433 131 S N -0.782 114.959 115.700 0.069 0.000 2.359 131 S HA -0.216 4.256 4.470 0.003 0.000 0.224 131 S C 1.858 176.477 174.600 0.031 0.000 1.035 131 S CA 1.591 59.819 58.200 0.048 0.000 1.018 131 S CB -0.209 63.011 63.200 0.033 0.000 0.876 131 S HN 0.588 8.898 8.310 0.000 0.000 0.448 132 E N 0.893 121.101 120.200 0.014 0.000 2.110 132 E HA -0.023 4.329 4.350 0.003 0.000 0.193 132 E C 2.341 178.911 176.600 -0.051 0.000 0.988 132 E CA 0.961 57.352 56.400 -0.014 0.000 0.804 132 E CB -0.173 29.514 29.700 -0.021 0.000 0.745 132 E HN 0.471 8.831 8.360 0.000 0.000 0.458 133 R N -0.381 120.087 120.500 -0.054 0.000 2.075 133 R HA -0.060 4.282 4.340 0.003 0.000 0.232 133 R C 2.358 178.573 176.300 -0.141 0.000 1.126 133 R CA 1.370 57.362 56.100 -0.180 0.000 0.963 133 R CB -0.616 29.643 30.300 -0.068 0.000 0.858 133 R HN 0.247 8.517 8.270 0.000 0.000 0.435 134 C N 0.156 119.505 119.300 0.082 0.000 2.429 134 C HA -0.050 4.412 4.460 0.003 0.000 0.277 134 C C 2.937 177.991 174.990 0.106 0.000 1.262 134 C CA 0.764 59.889 59.018 0.179 0.000 1.733 134 C CB -0.910 26.918 27.740 0.147 0.000 2.010 134 C HN 0.599 8.829 8.230 0.000 0.000 0.483 135 A N -0.139 122.707 122.820 0.042 0.000 1.902 135 A HA -0.251 4.071 4.320 0.003 0.000 0.217 135 A C 2.065 179.661 177.584 0.021 0.000 1.181 135 A CA 2.186 54.241 52.037 0.030 0.000 0.623 135 A CB -0.631 18.376 19.000 0.011 0.000 0.818 135 A HN 0.593 8.743 8.150 0.000 0.000 0.443 136 Q N -1.271 118.508 119.800 -0.034 0.000 2.046 136 Q HA -0.141 4.201 4.340 0.003 0.000 0.200 136 Q C 1.733 177.754 176.000 0.036 0.000 0.975 136 Q CA 1.877 57.651 55.803 -0.047 0.000 0.836 136 Q CB -0.566 28.082 28.738 -0.151 0.000 0.896 136 Q HN 0.672 8.942 8.270 0.000 0.000 0.428 137 Y N 0.399 120.744 120.300 0.074 0.000 2.224 137 Y HA -0.149 4.405 4.550 0.007 0.000 0.289 137 Y C 2.193 178.097 175.900 0.006 0.000 1.146 137 Y CA 1.508 59.631 58.100 0.038 0.000 1.182 137 Y CB -0.563 37.909 38.460 0.021 0.000 0.983 137 Y HN 0.123 8.403 8.280 0.000 0.000 0.524 138 K N 0.981 121.488 120.400 0.177 0.000 2.032 138 K HA -0.168 4.154 4.320 0.003 0.000 0.209 138 K C 1.778 178.423 176.600 0.076 0.000 1.048 138 K CA 1.728 58.077 56.287 0.102 0.000 0.927 138 K CB -0.190 32.360 32.500 0.082 0.000 0.712 138 K HN 0.186 8.436 8.250 0.000 0.000 0.441 139 K N 0.131 120.575 120.400 0.073 0.000 2.211 139 K HA -0.087 4.235 4.320 0.003 0.000 0.203 139 K C 0.781 177.419 176.600 0.064 0.000 1.050 139 K CA 1.316 57.637 56.287 0.057 0.000 0.945 139 K CB 0.010 32.539 32.500 0.048 0.000 0.732 139 K HN 0.208 8.458 8.250 0.000 0.000 0.451 140 D N -0.603 119.851 120.400 0.089 0.000 2.319 140 D HA 0.056 4.698 4.640 0.003 0.000 0.230 140 D C 0.977 177.277 176.300 0.001 0.000 1.094 140 D CA 0.597 54.641 54.000 0.073 0.000 0.856 140 D CB 0.868 41.755 40.800 0.144 0.000 0.915 140 D HN 0.428 8.798 8.370 0.000 0.000 0.517 141 G N 0.094 108.902 108.800 0.013 0.000 2.201 141 G HA2 -0.152 3.810 3.960 0.003 0.000 0.212 141 G HA3 -0.152 3.810 3.960 0.003 0.000 0.212 141 G C 0.516 175.402 174.900 -0.023 0.000 0.994 141 G CA -0.035 45.058 45.100 -0.011 0.000 0.644 141 G HN 0.554 8.844 8.290 0.000 0.000 0.508 142 A N 0.198 123.000 122.820 -0.030 0.000 2.354 142 A HA 0.654 4.976 4.320 0.003 0.000 0.269 142 A C 0.665 178.249 177.584 0.001 0.000 1.109 142 A CA 0.537 52.529 52.037 -0.075 0.000 0.800 142 A CB 0.542 19.452 19.000 -0.149 0.000 1.045 142 A HN 0.119 8.269 8.150 0.000 0.000 0.489 143 D N 0.004 120.423 120.400 0.032 0.000 2.500 143 D HA 0.215 4.857 4.640 0.003 0.000 0.218 143 D C -0.498 175.945 176.300 0.238 0.000 1.140 143 D CA 0.786 54.868 54.000 0.136 0.000 0.830 143 D CB 0.463 41.363 40.800 0.168 0.000 1.055 143 D HN 0.532 8.902 8.370 0.000 0.000 0.512 144 F N 0.100 120.054 119.950 0.007 0.000 2.662 144 F HA 0.795 5.321 4.527 -0.001 0.000 0.312 144 F C -1.468 174.350 175.800 0.030 0.000 1.113 144 F CA -1.624 56.385 58.000 0.015 0.000 0.951 144 F CB 1.155 40.156 39.000 0.002 0.000 1.344 144 F HN -0.193 8.107 8.300 0.000 0.000 0.462 145 A N 1.876 124.808 122.820 0.188 0.000 2.430 145 A HA 0.808 5.130 4.320 0.003 0.000 0.300 145 A C -1.510 176.253 177.584 0.299 0.000 1.124 145 A CA -0.915 51.205 52.037 0.137 0.000 0.766 145 A CB 1.976 21.140 19.000 0.274 0.000 1.328 145 A HN 0.799 8.949 8.150 0.000 0.000 0.424 146 K N 1.156 121.679 120.400 0.205 0.000 2.397 146 K HA 0.405 4.727 4.320 0.003 0.000 0.253 146 K C -2.199 174.466 176.600 0.107 0.000 0.932 146 K CA -0.361 56.038 56.287 0.186 0.000 0.795 146 K CB 1.661 34.216 32.500 0.092 0.000 1.159 146 K HN 0.799 9.049 8.250 0.000 0.000 0.424 147 W N 6.370 127.520 121.300 -0.250 0.000 3.036 147 W HA 0.339 5.004 4.660 0.008 0.000 0.337 147 W C -1.606 174.735 176.519 -0.298 0.000 1.055 147 W CA -0.569 56.471 57.345 -0.508 0.000 1.248 147 W CB 1.061 29.622 29.460 -1.498 0.000 1.335 147 W HN 0.707 8.887 8.180 0.000 0.000 0.446 148 R N 5.283 125.660 120.500 -0.205 0.000 2.295 148 R HA 0.621 4.963 4.340 0.003 0.000 0.324 148 R C -1.139 175.123 176.300 -0.063 0.000 0.968 148 R CA -0.013 56.048 56.100 -0.065 0.000 0.837 148 R CB 0.875 31.130 30.300 -0.076 0.000 1.133 148 R HN 0.430 8.700 8.270 0.000 0.000 0.450 149 C N 3.971 123.315 119.300 0.074 0.000 2.391 149 C HA 0.623 5.085 4.460 0.003 0.000 0.339 149 C C -0.484 174.525 174.990 0.032 0.000 1.205 149 C CA -0.526 58.538 59.018 0.077 0.000 1.937 149 C CB 1.467 29.286 27.740 0.133 0.000 2.341 149 C HN 0.565 8.795 8.230 0.000 0.000 0.516 150 V N 4.599 124.523 119.914 0.017 0.000 2.531 150 V HA 0.572 4.694 4.120 0.003 0.000 0.301 150 V C -0.421 175.681 176.094 0.014 0.000 1.034 150 V CA -0.324 61.983 62.300 0.010 0.000 0.865 150 V CB 1.410 33.228 31.823 -0.008 0.000 0.995 150 V HN 0.688 8.878 8.190 0.000 0.000 0.424 151 L N 3.796 125.030 121.223 0.017 0.000 2.354 151 L HA 0.721 5.063 4.340 0.003 0.000 0.264 151 L C -0.488 176.391 176.870 0.014 0.000 1.008 151 L CA -0.762 54.087 54.840 0.015 0.000 0.819 151 L CB 2.474 44.540 42.059 0.012 0.000 1.339 151 L HN 0.582 8.812 8.230 0.000 0.000 0.420 152 K N 2.070 122.476 120.400 0.011 0.000 2.378 152 K HA 0.574 4.896 4.320 0.003 0.000 0.252 152 K C -1.269 175.322 176.600 -0.015 0.000 0.931 152 K CA -0.598 55.696 56.287 0.010 0.000 0.794 152 K CB 1.961 34.474 32.500 0.022 0.000 1.181 152 K HN 0.519 8.769 8.250 0.000 0.000 0.425 153 I N 3.587 124.122 120.570 -0.057 0.000 2.337 153 I HA 0.324 4.496 4.170 0.003 0.000 0.291 153 I C 0.569 176.649 176.117 -0.063 0.000 1.046 153 I CA -0.009 61.210 61.300 -0.135 0.000 1.324 153 I CB 1.204 38.933 38.000 -0.452 0.000 1.409 153 I HN 0.796 9.006 8.210 0.000 0.000 0.494 154 G N 3.870 112.646 108.800 -0.041 0.000 2.827 154 G HA2 0.246 4.208 3.960 0.003 0.000 0.296 154 G HA3 0.246 4.208 3.960 0.003 0.000 0.296 154 G C 0.090 174.947 174.900 -0.072 0.000 1.362 154 G CA -0.268 44.812 45.100 -0.033 0.000 0.809 154 G HN 0.471 8.761 8.290 0.000 0.000 0.522 155 E N -0.870 119.232 120.200 -0.163 0.000 2.153 155 E HA -0.099 4.253 4.350 0.003 0.000 0.194 155 E C 1.229 177.644 176.600 -0.308 0.000 0.988 155 E CA 1.614 57.834 56.400 -0.299 0.000 0.811 155 E CB 0.059 29.455 29.700 -0.507 0.000 0.746 155 E HN 0.466 8.826 8.360 0.000 0.000 0.466 156 H N -1.622 117.459 119.070 0.019 0.000 2.923 156 H HA 0.268 4.826 4.556 0.003 0.000 0.268 156 H C -0.144 175.195 175.328 0.018 0.000 1.148 156 H CA 0.741 56.801 56.048 0.019 0.000 1.146 156 H CB 0.196 29.969 29.762 0.018 0.000 1.607 156 H HN 0.119 8.399 8.280 0.000 0.000 0.566 157 T N -0.693 113.913 114.554 0.087 0.000 2.907 157 T HA 0.449 4.801 4.350 0.003 0.000 0.292 157 T C -3.095 171.621 174.700 0.026 0.000 1.043 157 T CA -2.289 59.846 62.100 0.057 0.000 1.003 157 T CB 3.269 72.164 68.868 0.044 0.000 1.084 157 T HN -0.171 8.069 8.240 0.000 0.000 0.483 158 P HA 0.237 4.657 4.420 0.000 0.000 0.280 158 P C 0.134 177.458 177.300 0.041 0.000 1.244 158 P CA -0.263 62.854 63.100 0.029 0.000 0.784 158 P CB 0.891 32.600 31.700 0.014 0.000 0.913 159 S N 2.054 117.780 115.700 0.044 0.000 2.614 159 S HA 0.345 4.817 4.470 0.003 0.000 0.265 159 S C 1.651 176.270 174.600 0.031 0.000 1.303 159 S CA -0.028 58.198 58.200 0.044 0.000 1.000 159 S CB 0.497 63.721 63.200 0.040 0.000 0.935 159 S HN 0.512 8.822 8.310 0.000 0.000 0.551 160 A N 0.931 123.768 122.820 0.029 0.000 1.917 160 A HA -0.088 4.234 4.320 0.003 0.000 0.219 160 A C 2.063 179.658 177.584 0.018 0.000 1.182 160 A CA 1.816 53.866 52.037 0.022 0.000 0.633 160 A CB -1.149 17.864 19.000 0.021 0.000 0.819 160 A HN 0.979 9.129 8.150 0.000 0.000 0.448 161 L N -0.230 121.004 121.223 0.019 0.000 1.994 161 L HA -0.077 4.265 4.340 0.003 0.000 0.208 161 L C 2.685 179.566 176.870 0.019 0.000 1.071 161 L CA 2.444 57.294 54.840 0.018 0.000 0.745 161 L CB -0.997 41.073 42.059 0.018 0.000 0.892 161 L HN 0.348 8.578 8.230 0.000 0.000 0.431 162 A N -0.202 122.630 122.820 0.021 0.000 1.883 162 A HA -0.218 4.104 4.320 0.003 0.000 0.217 162 A C 2.302 179.896 177.584 0.017 0.000 1.186 162 A CA 2.301 54.351 52.037 0.022 0.000 0.624 162 A CB -0.972 18.042 19.000 0.024 0.000 0.822 162 A HN 0.554 8.704 8.150 0.000 0.000 0.444 163 I N -0.980 119.597 120.570 0.012 0.000 2.142 163 I HA -0.289 3.883 4.170 0.003 0.000 0.240 163 I C 2.793 178.910 176.117 -0.001 0.000 1.078 163 I CA 1.838 63.140 61.300 0.003 0.000 1.343 163 I CB -0.317 37.682 38.000 -0.000 0.000 1.046 163 I HN 0.446 8.656 8.210 0.000 0.000 0.405 164 M N 0.698 120.301 119.600 0.005 0.000 2.086 164 M HA -0.246 4.236 4.480 0.003 0.000 0.261 164 M C 2.239 178.543 176.300 0.006 0.000 1.067 164 M CA 2.139 57.441 55.300 0.005 0.000 1.116 164 M CB -0.482 32.125 32.600 0.011 0.000 1.348 164 M HN 0.163 8.453 8.290 0.000 0.000 0.407 165 E N 0.922 121.130 120.200 0.014 0.000 2.051 165 E HA -0.171 4.181 4.350 0.003 0.000 0.192 165 E C 1.588 178.199 176.600 0.017 0.000 0.991 165 E CA 1.928 58.340 56.400 0.020 0.000 0.799 165 E CB -0.539 29.178 29.700 0.029 0.000 0.748 165 E HN 0.556 8.916 8.360 0.000 0.000 0.449 166 N N 0.061 118.773 118.700 0.020 0.000 2.188 166 N HA -0.123 4.619 4.740 0.003 0.000 0.184 166 N C 1.651 177.151 175.510 -0.017 0.000 1.018 166 N CA 1.367 54.434 53.050 0.028 0.000 0.858 166 N CB -0.225 38.282 38.487 0.033 0.000 0.989 166 N HN 0.324 8.704 8.380 0.000 0.000 0.426 167 A N 1.216 124.012 122.820 -0.040 0.000 1.930 167 A HA -0.147 4.175 4.320 0.003 0.000 0.217 167 A C 2.114 179.621 177.584 -0.127 0.000 1.175 167 A CA 1.478 53.463 52.037 -0.086 0.000 0.627 167 A CB -0.660 18.298 19.000 -0.070 0.000 0.815 167 A HN 0.297 8.447 8.150 0.000 0.000 0.443 168 N N -0.391 118.256 118.700 -0.088 0.000 2.106 168 N HA -0.122 4.620 4.740 0.003 0.000 0.188 168 N C 1.536 176.911 175.510 -0.226 0.000 1.029 168 N CA 1.561 54.538 53.050 -0.120 0.000 0.848 168 N CB -0.289 38.198 38.487 -0.000 0.000 1.007 168 N HN 0.130 8.510 8.380 0.000 0.000 0.423 169 V N 0.378 120.212 119.914 -0.134 0.000 2.515 169 V HA -0.076 4.046 4.120 0.003 0.000 0.250 169 V C 2.033 177.903 176.094 -0.372 0.000 1.058 169 V CA 1.168 63.368 62.300 -0.167 0.000 1.064 169 V CB -0.355 31.485 31.823 0.027 0.000 0.675 169 V HN 0.358 8.548 8.190 0.000 0.000 0.461 170 L N -0.123 120.916 121.223 -0.308 0.000 2.083 170 L HA -0.116 4.225 4.340 0.003 0.000 0.209 170 L C 2.695 179.383 176.870 -0.303 0.000 1.083 170 L CA 1.609 56.250 54.840 -0.332 0.000 0.752 170 L CB -0.693 41.258 42.059 -0.181 0.000 0.899 170 L HN 0.422 8.652 8.230 0.000 0.000 0.433 171 A N -0.524 122.058 122.820 -0.397 0.000 1.930 171 A HA -0.150 4.171 4.320 0.003 0.000 0.217 171 A C 2.355 179.625 177.584 -0.523 0.000 1.175 171 A CA 1.044 52.776 52.037 -0.509 0.000 0.627 171 A CB -0.310 18.218 19.000 -0.786 0.000 0.815 171 A HN 0.220 8.370 8.150 0.000 0.000 0.443 172 R N -1.298 118.891 120.500 -0.519 0.000 2.066 172 R HA -0.143 4.199 4.340 0.003 0.000 0.232 172 R C 2.112 178.265 176.300 -0.246 0.000 1.131 172 R CA 1.774 57.704 56.100 -0.284 0.000 0.955 172 R CB -1.200 28.988 30.300 -0.187 0.000 0.851 172 R HN 0.778 9.048 8.270 0.000 0.000 0.432 173 Y N 1.162 121.143 120.300 -0.532 0.000 2.165 173 Y HA -0.194 4.359 4.550 0.006 0.000 0.286 173 Y C 2.139 177.858 175.900 -0.301 0.000 1.155 173 Y CA 1.488 59.246 58.100 -0.569 0.000 1.164 173 Y CB -0.550 37.170 38.460 -1.234 0.000 0.978 173 Y HN 0.042 8.322 8.280 0.000 0.000 0.513 174 A N -0.471 121.921 122.820 -0.713 0.000 1.930 174 A HA -0.165 4.157 4.320 0.003 0.000 0.217 174 A C 2.527 179.911 177.584 -0.334 0.000 1.175 174 A CA 1.826 53.474 52.037 -0.647 0.000 0.627 174 A CB -1.412 17.356 19.000 -0.387 0.000 0.815 174 A HN 0.565 8.715 8.150 0.000 0.000 0.443 175 S N -0.309 115.262 115.700 -0.214 0.000 2.356 175 S HA -0.120 4.352 4.470 0.003 0.000 0.223 175 S C 1.914 176.472 174.600 -0.071 0.000 1.032 175 S CA 1.463 59.615 58.200 -0.080 0.000 1.005 175 S CB -0.499 62.699 63.200 -0.003 0.000 0.867 175 S HN 0.485 8.795 8.310 0.000 0.000 0.449 176 I N 0.930 121.446 120.570 -0.089 0.000 2.226 176 I HA -0.213 3.959 4.170 0.003 0.000 0.245 176 I C 2.583 178.672 176.117 -0.046 0.000 1.100 176 I CA 0.868 62.144 61.300 -0.040 0.000 1.374 176 I CB -0.527 37.468 38.000 -0.008 0.000 1.057 176 I HN 0.422 8.632 8.210 0.000 0.000 0.413 177 C N 0.376 119.601 119.300 -0.125 0.000 2.413 177 C HA -0.187 4.275 4.460 0.003 0.000 0.277 177 C C 2.840 177.802 174.990 -0.046 0.000 1.228 177 C CA 0.925 59.885 59.018 -0.097 0.000 1.731 177 C CB -1.086 26.506 27.740 -0.245 0.000 2.042 177 C HN 0.516 8.746 8.230 0.000 0.000 0.468 178 Q N -0.206 119.558 119.800 -0.060 0.000 2.226 178 Q HA -0.191 4.151 4.340 0.003 0.000 0.204 178 Q C 2.177 178.182 176.000 0.008 0.000 0.975 178 Q CA 0.990 56.791 55.803 -0.003 0.000 0.866 178 Q CB -0.256 28.494 28.738 0.020 0.000 0.915 178 Q HN 0.678 8.948 8.270 0.000 0.000 0.440 179 Q N 0.259 120.060 119.800 0.001 0.000 2.369 179 Q HA -0.049 4.293 4.340 0.003 0.000 0.206 179 Q C 0.323 176.331 176.000 0.013 0.000 0.963 179 Q CA 0.927 56.734 55.803 0.008 0.000 0.894 179 Q CB 0.094 28.838 28.738 0.009 0.000 0.965 179 Q HN 0.416 8.686 8.270 0.000 0.000 0.475 180 N N -1.095 117.617 118.700 0.020 0.000 2.275 180 N HA 0.224 4.966 4.740 0.003 0.000 0.236 180 N C 0.306 175.840 175.510 0.040 0.000 1.154 180 N CA 0.465 53.534 53.050 0.032 0.000 0.866 180 N CB 1.306 39.819 38.487 0.044 0.000 1.093 180 N HN 0.197 8.577 8.380 0.000 0.000 0.515 181 G N 0.625 109.446 108.800 0.036 0.000 2.160 181 G HA2 -0.235 3.727 3.960 0.003 0.000 0.251 181 G HA3 -0.235 3.727 3.960 0.003 0.000 0.251 181 G C -0.250 174.688 174.900 0.064 0.000 1.008 181 G CA -0.096 45.032 45.100 0.047 0.000 0.724 181 G HN 0.226 8.516 8.290 0.000 0.000 0.514 182 I N 0.850 121.457 120.570 0.061 0.000 2.354 182 I HA 0.351 4.522 4.170 0.003 0.000 0.292 182 I C 0.764 176.923 176.117 0.070 0.000 0.989 182 I CA -1.155 60.193 61.300 0.079 0.000 1.188 182 I CB 1.620 39.667 38.000 0.079 0.000 1.342 182 I HN -0.143 8.067 8.210 0.000 0.000 0.457 183 V N 9.372 129.358 119.914 0.119 0.000 2.439 183 V HA 0.174 4.295 4.120 0.003 0.000 0.271 183 V C -1.888 174.266 176.094 0.099 0.000 1.040 183 V CA -1.104 61.252 62.300 0.094 0.000 1.002 183 V CB 0.900 32.778 31.823 0.093 0.000 1.000 183 V HN 0.568 8.758 8.190 0.000 0.000 0.477 184 P HA 0.365 4.785 4.420 0.000 0.000 0.292 184 P C -0.640 176.704 177.300 0.075 0.000 1.287 184 P CA -0.329 62.730 63.100 -0.067 0.000 0.800 184 P CB 1.312 32.716 31.700 -0.494 0.000 0.945 185 I N 3.809 124.535 120.570 0.260 0.000 2.297 185 I HA 0.133 4.305 4.170 0.003 0.000 0.291 185 I C 0.362 176.629 176.117 0.250 0.000 1.033 185 I CA -0.945 60.468 61.300 0.190 0.000 1.253 185 I CB 1.342 39.464 38.000 0.204 0.000 1.396 185 I HN 0.022 8.232 8.210 0.000 0.000 0.476 186 V N 6.793 126.784 119.914 0.128 0.000 2.439 186 V HA 0.063 4.185 4.120 0.003 0.000 0.271 186 V C 0.509 176.634 176.094 0.051 0.000 1.040 186 V CA -0.066 62.293 62.300 0.099 0.000 1.002 186 V CB 0.702 32.492 31.823 -0.054 0.000 1.000 186 V HN 0.716 8.906 8.190 0.000 0.000 0.477 187 E N 8.131 128.382 120.200 0.085 0.000 2.346 187 E HA 0.339 4.691 4.350 0.003 0.000 0.239 187 E C -2.614 174.019 176.600 0.056 0.000 0.943 187 E CA -1.863 54.575 56.400 0.063 0.000 0.751 187 E CB 1.703 31.454 29.700 0.085 0.000 1.241 187 E HN 0.477 8.837 8.360 0.000 0.000 0.423 188 P HA 0.183 4.603 4.420 0.000 0.000 0.238 188 P C -0.847 176.471 177.300 0.029 0.000 1.758 188 P CA -0.341 62.770 63.100 0.019 0.000 1.142 188 P CB 0.344 32.033 31.700 -0.018 0.000 1.722 189 E N 3.895 124.119 120.200 0.040 0.000 2.259 189 E HA 0.232 4.584 4.350 0.003 0.000 0.281 189 E C -0.656 175.970 176.600 0.043 0.000 1.037 189 E CA -0.547 55.882 56.400 0.049 0.000 0.854 189 E CB 0.446 30.176 29.700 0.051 0.000 1.051 189 E HN 0.371 8.731 8.360 0.000 0.000 0.409 190 I N 6.467 127.068 120.570 0.051 0.000 2.307 190 I HA 0.154 4.326 4.170 0.003 0.000 0.289 190 I C 0.091 176.250 176.117 0.070 0.000 1.021 190 I CA -0.680 60.646 61.300 0.044 0.000 1.224 190 I CB 0.773 38.792 38.000 0.033 0.000 1.376 190 I HN 0.495 8.705 8.210 0.000 0.000 0.470 191 L N 8.552 129.816 121.223 0.069 0.000 2.506 191 L HA 0.090 4.432 4.340 0.003 0.000 0.281 191 L C -1.047 175.927 176.870 0.174 0.000 1.228 191 L CA -0.908 53.996 54.840 0.107 0.000 0.850 191 L CB 0.190 42.299 42.059 0.083 0.000 1.110 191 L HN 0.464 8.694 8.230 0.000 0.000 0.496 192 P HA 0.025 4.445 4.420 0.000 0.000 0.249 192 P C -0.339 177.133 177.300 0.285 0.000 1.229 192 P CA -0.062 63.198 63.100 0.266 0.000 0.788 192 P CB 0.093 31.934 31.700 0.235 0.000 1.072 193 D N 0.883 121.476 120.400 0.321 0.000 2.488 193 D HA 0.376 5.018 4.640 0.003 0.000 0.238 193 D C 1.302 177.756 176.300 0.256 0.000 1.138 193 D CA 1.739 55.909 54.000 0.282 0.000 0.873 193 D CB 0.016 40.955 40.800 0.231 0.000 1.183 193 D HN 0.244 8.614 8.370 0.000 0.000 0.458 194 G N 1.699 110.595 108.800 0.159 0.000 2.408 194 G HA2 -0.009 3.953 3.960 0.003 0.000 0.682 194 G HA3 -0.009 3.953 3.960 0.003 0.000 0.682 194 G C -0.513 174.389 174.900 0.003 0.000 1.303 194 G CA -0.185 45.009 45.100 0.156 0.000 0.966 194 G HN 0.557 8.847 8.290 0.000 0.000 0.560 195 D N -0.762 119.649 120.400 0.018 0.000 2.462 195 D HA 0.054 4.696 4.640 0.003 0.000 0.221 195 D C 0.859 177.111 176.300 -0.079 0.000 1.173 195 D CA 0.169 54.128 54.000 -0.067 0.000 0.831 195 D CB -0.542 40.247 40.800 -0.018 0.000 1.001 195 D HN 0.842 9.212 8.370 0.000 0.000 0.499 196 H N 0.626 119.704 119.070 0.013 0.000 2.745 196 H HA 0.237 4.794 4.556 0.002 0.000 0.373 196 H C -0.121 175.224 175.328 0.028 0.000 1.226 196 H CA 0.010 56.068 56.048 0.017 0.000 1.435 196 H CB 0.490 30.263 29.762 0.017 0.000 1.461 196 H HN 0.047 8.327 8.280 0.000 0.000 0.616 197 D N 0.715 121.178 120.400 0.105 0.000 2.529 197 D HA 0.031 4.673 4.640 0.003 0.000 0.273 197 D C 1.396 177.710 176.300 0.022 0.000 1.197 197 D CA -0.890 53.159 54.000 0.080 0.000 1.070 197 D CB 0.778 41.680 40.800 0.171 0.000 1.134 197 D HN 0.420 8.790 8.370 0.000 0.000 0.590 198 L N -0.023 121.075 121.223 -0.209 0.000 2.012 198 L HA -0.154 4.188 4.340 0.003 0.000 0.210 198 L C 2.218 179.021 176.870 -0.111 0.000 1.073 198 L CA 2.247 56.864 54.840 -0.372 0.000 0.748 198 L CB -0.951 40.508 42.059 -0.999 0.000 0.891 198 L HN 0.674 8.904 8.230 0.000 0.000 0.431 199 K N -0.959 119.421 120.400 -0.033 0.000 2.211 199 K HA -0.232 4.090 4.320 0.003 0.000 0.203 199 K C 2.276 178.924 176.600 0.081 0.000 1.050 199 K CA 1.559 57.866 56.287 0.034 0.000 0.945 199 K CB -0.495 32.033 32.500 0.047 0.000 0.732 199 K HN 0.296 8.546 8.250 0.000 0.000 0.451 200 R N 0.842 121.396 120.500 0.091 0.000 2.090 200 R HA -0.083 4.259 4.340 0.003 0.000 0.228 200 R C 2.366 178.738 176.300 0.120 0.000 1.110 200 R CA 1.455 57.620 56.100 0.108 0.000 0.973 200 R CB -0.593 29.772 30.300 0.108 0.000 0.869 200 R HN 0.415 8.685 8.270 0.000 0.000 0.440 201 C N 0.602 119.982 119.300 0.134 0.000 2.440 201 C HA -0.053 4.409 4.460 0.003 0.000 0.278 201 C C 2.712 177.745 174.990 0.072 0.000 1.295 201 C CA 1.160 60.233 59.018 0.092 0.000 1.738 201 C CB -0.764 27.066 27.740 0.150 0.000 1.987 201 C HN 0.648 8.878 8.230 0.000 0.000 0.492 202 Q N -1.382 118.464 119.800 0.075 0.000 2.084 202 Q HA -0.232 4.110 4.340 0.003 0.000 0.202 202 Q C 2.084 178.141 176.000 0.095 0.000 0.978 202 Q CA 2.078 57.923 55.803 0.070 0.000 0.844 202 Q CB -0.489 28.287 28.738 0.062 0.000 0.898 202 Q HN 0.852 9.122 8.270 0.000 0.000 0.426 203 Y N 0.343 120.649 120.300 0.009 0.000 2.097 203 Y HA -0.261 4.290 4.550 0.003 0.000 0.282 203 Y C 2.046 177.950 175.900 0.006 0.000 1.152 203 Y CA 1.785 59.892 58.100 0.011 0.000 1.136 203 Y CB -0.410 38.056 38.460 0.009 0.000 0.975 203 Y HN -0.055 8.225 8.280 0.000 0.000 0.498 204 V N -0.522 119.444 119.914 0.085 0.000 2.343 204 V HA -0.347 3.775 4.120 0.003 0.000 0.247 204 V C 2.274 178.333 176.094 -0.058 0.000 1.051 204 V CA 2.457 64.749 62.300 -0.013 0.000 1.036 204 V CB -1.204 30.626 31.823 0.012 0.000 0.654 204 V HN 0.487 8.677 8.190 0.000 0.000 0.451 205 T N -0.491 114.052 114.554 -0.019 0.000 2.720 205 T HA -0.220 4.132 4.350 0.003 0.000 0.268 205 T C 1.816 176.497 174.700 -0.032 0.000 1.037 205 T CA 1.748 63.844 62.100 -0.008 0.000 1.144 205 T CB -0.241 68.643 68.868 0.026 0.000 0.864 205 T HN 0.599 8.839 8.240 0.000 0.000 0.444 206 E N 0.461 120.623 120.200 -0.064 0.000 2.072 206 E HA -0.111 4.241 4.350 0.003 0.000 0.191 206 E C 2.410 178.940 176.600 -0.117 0.000 0.985 206 E CA 0.739 57.092 56.400 -0.079 0.000 0.801 206 E CB 0.057 29.699 29.700 -0.096 0.000 0.750 206 E HN 0.209 8.569 8.360 0.000 0.000 0.452 207 K N 0.449 120.723 120.400 -0.210 0.000 2.057 207 K HA -0.070 4.252 4.320 0.003 0.000 0.206 207 K C 2.209 178.755 176.600 -0.089 0.000 1.050 207 K CA 0.645 56.819 56.287 -0.188 0.000 0.935 207 K CB -0.581 31.753 32.500 -0.275 0.000 0.715 207 K HN 0.058 8.308 8.250 0.000 0.000 0.439 208 V N 1.925 121.798 119.914 -0.069 0.000 2.358 208 V HA -0.189 3.933 4.120 0.003 0.000 0.246 208 V C 2.426 178.506 176.094 -0.024 0.000 1.047 208 V CA 1.383 63.660 62.300 -0.038 0.000 1.035 208 V CB -0.428 31.379 31.823 -0.026 0.000 0.658 208 V HN 0.178 8.368 8.190 0.000 0.000 0.452 209 L N -0.034 121.189 121.223 -0.000 0.000 2.141 209 L HA -0.114 4.228 4.340 0.003 0.000 0.209 209 L C 2.701 179.642 176.870 0.118 0.000 1.094 209 L CA 1.345 56.222 54.840 0.061 0.000 0.763 209 L CB -0.770 41.346 42.059 0.096 0.000 0.908 209 L HN 0.366 8.596 8.230 0.000 0.000 0.437 210 A N 0.183 123.040 122.820 0.061 0.000 1.902 210 A HA -0.143 4.179 4.320 0.003 0.000 0.217 210 A C 2.538 180.152 177.584 0.050 0.000 1.181 210 A CA 1.656 53.735 52.037 0.069 0.000 0.623 210 A CB -0.575 18.434 19.000 0.015 0.000 0.818 210 A HN 0.388 8.538 8.150 0.000 0.000 0.443 211 A N -0.621 122.202 122.820 0.005 0.000 1.930 211 A HA 0.043 4.365 4.320 0.003 0.000 0.217 211 A C 2.219 179.776 177.584 -0.045 0.000 1.175 211 A CA 1.656 53.685 52.037 -0.014 0.000 0.627 211 A CB -0.847 18.140 19.000 -0.023 0.000 0.815 211 A HN 0.351 8.501 8.150 0.000 0.000 0.443 212 V N -1.486 118.373 119.914 -0.092 0.000 2.295 212 V HA -0.274 3.848 4.120 0.003 0.000 0.246 212 V C 2.355 178.250 176.094 -0.332 0.000 1.049 212 V CA 2.000 64.160 62.300 -0.233 0.000 1.024 212 V CB -0.985 30.638 31.823 -0.333 0.000 0.648 212 V HN 0.667 8.857 8.190 0.000 0.000 0.447 213 Y N 0.149 120.428 120.300 -0.035 0.000 2.373 213 Y HA -0.109 4.443 4.550 0.003 0.000 0.293 213 Y C 2.383 178.275 175.900 -0.013 0.000 1.129 213 Y CA 1.478 59.562 58.100 -0.027 0.000 1.226 213 Y CB -0.288 38.156 38.460 -0.027 0.000 1.000 213 Y HN 0.161 8.441 8.280 0.000 0.000 0.549 214 K N 0.819 121.267 120.400 0.080 0.000 2.097 214 K HA -0.056 4.266 4.320 0.003 0.000 0.205 214 K C 2.110 178.728 176.600 0.029 0.000 1.050 214 K CA 1.333 57.652 56.287 0.054 0.000 0.938 214 K CB -0.541 31.981 32.500 0.037 0.000 0.718 214 K HN 0.151 8.401 8.250 0.000 0.000 0.442 215 A N 0.708 123.529 122.820 0.002 0.000 1.898 215 A HA -0.050 4.272 4.320 0.003 0.000 0.216 215 A C 2.204 179.814 177.584 0.043 0.000 1.181 215 A CA 1.415 53.470 52.037 0.030 0.000 0.620 215 A CB -0.660 18.315 19.000 -0.042 0.000 0.819 215 A HN 0.307 8.457 8.150 0.000 0.000 0.442 216 L N -0.524 120.668 121.223 -0.052 0.000 2.083 216 L HA -0.167 4.174 4.340 0.003 0.000 0.209 216 L C 2.921 179.811 176.870 0.033 0.000 1.083 216 L CA 1.533 56.347 54.840 -0.042 0.000 0.752 216 L CB -0.435 41.566 42.059 -0.096 0.000 0.899 216 L HN 0.536 8.766 8.230 0.000 0.000 0.433 217 S N -0.252 115.476 115.700 0.047 0.000 2.355 217 S HA -0.184 4.288 4.470 0.003 0.000 0.222 217 S C 1.610 176.181 174.600 -0.050 0.000 1.031 217 S CA 1.419 59.644 58.200 0.042 0.000 0.993 217 S CB -0.157 63.078 63.200 0.059 0.000 0.859 217 S HN 0.384 8.694 8.310 0.000 0.000 0.453 218 D N 0.565 120.927 120.400 -0.063 0.000 2.182 218 D HA -0.072 4.570 4.640 0.003 0.000 0.201 218 D C 1.274 177.278 176.300 -0.492 0.000 0.986 218 D CA 1.071 54.949 54.000 -0.203 0.000 0.847 218 D CB -0.436 40.297 40.800 -0.113 0.000 0.942 218 D HN 0.614 8.984 8.370 0.000 0.000 0.467 219 H N -0.095 118.779 119.070 -0.327 0.000 2.524 219 H HA 0.041 4.600 4.556 0.005 0.000 0.280 219 H C -0.006 175.182 175.328 -0.234 0.000 1.018 219 H CA 0.121 55.985 56.048 -0.307 0.000 1.165 219 H CB 0.129 29.803 29.762 -0.146 0.000 1.411 219 H HN 0.281 8.561 8.280 0.000 0.000 0.569 220 H N -0.605 118.522 119.070 0.095 0.000 2.770 220 H HA -0.153 4.405 4.556 0.003 0.000 0.309 220 H C 0.204 175.588 175.328 0.094 0.000 1.206 220 H CA 0.331 56.427 56.048 0.080 0.000 1.147 220 H CB -2.096 27.703 29.762 0.061 0.000 1.422 220 H HN 0.286 8.566 8.280 0.000 0.000 0.420 221 I N 0.773 121.433 120.570 0.150 0.000 2.496 221 I HA -0.041 4.131 4.170 0.003 0.000 0.285 221 I C 1.145 177.368 176.117 0.176 0.000 1.080 221 I CA -0.482 60.892 61.300 0.123 0.000 1.404 221 I CB -0.062 37.959 38.000 0.036 0.000 1.403 221 I HN 0.132 8.342 8.210 0.000 0.000 0.539 222 Y N 6.748 127.074 120.300 0.043 0.000 2.613 222 Y HA 0.206 4.758 4.550 0.003 0.000 0.354 222 Y C 0.866 176.792 175.900 0.044 0.000 1.063 222 Y CA -0.173 57.954 58.100 0.045 0.000 1.384 222 Y CB 0.409 38.889 38.460 0.034 0.000 1.199 222 Y HN 0.513 8.793 8.280 0.000 0.000 0.517 223 L N 3.213 124.339 121.223 -0.160 0.000 2.079 223 L HA -0.221 4.121 4.340 0.003 0.000 0.210 223 L C 1.637 178.305 176.870 -0.337 0.000 1.081 223 L CA 1.576 56.318 54.840 -0.163 0.000 0.752 223 L CB -0.207 41.828 42.059 -0.039 0.000 0.896 223 L HN 0.520 8.750 8.230 0.000 0.000 0.433 224 E N 0.203 120.003 120.200 -0.666 0.000 2.333 224 E HA -0.117 4.235 4.350 0.003 0.000 0.198 224 E C 1.691 178.024 176.600 -0.445 0.000 1.007 224 E CA 0.980 57.056 56.400 -0.541 0.000 0.845 224 E CB -0.216 29.159 29.700 -0.543 0.000 0.766 224 E HN 0.439 8.799 8.360 0.000 0.000 0.507 225 G N 0.534 108.997 108.800 -0.561 0.000 3.609 225 G HA2 0.141 4.103 3.960 0.003 0.000 0.280 225 G HA3 0.141 4.103 3.960 0.003 0.000 0.280 225 G C -0.030 174.840 174.900 -0.050 0.000 1.155 225 G CA 0.265 45.321 45.100 -0.074 0.000 0.876 225 G HN 0.219 8.509 8.290 0.000 0.000 0.535 226 T N -2.382 112.105 114.554 -0.112 0.000 2.841 226 T HA 0.763 5.115 4.350 0.003 0.000 0.296 226 T C -0.898 173.741 174.700 -0.102 0.000 1.166 226 T CA -0.817 61.235 62.100 -0.079 0.000 1.007 226 T CB 2.224 71.055 68.868 -0.061 0.000 1.253 226 T HN -0.046 8.194 8.240 0.000 0.000 0.511 227 L N 0.602 121.772 121.223 -0.088 0.000 2.350 227 L HA 0.766 5.108 4.340 0.003 0.000 0.260 227 L C -1.419 175.395 176.870 -0.093 0.000 1.015 227 L CA -1.348 53.417 54.840 -0.125 0.000 0.821 227 L CB 2.249 44.210 42.059 -0.164 0.000 1.370 227 L HN 0.654 8.884 8.230 0.000 0.000 0.416 228 L N 2.064 123.201 121.223 -0.144 0.000 2.341 228 L HA 0.461 4.803 4.340 0.003 0.000 0.278 228 L C -0.603 176.159 176.870 -0.180 0.000 1.005 228 L CA -0.138 54.623 54.840 -0.131 0.000 0.818 228 L CB 1.390 43.364 42.059 -0.141 0.000 1.259 228 L HN 0.509 8.739 8.230 0.000 0.000 0.418 229 K N 7.206 127.545 120.400 -0.101 0.000 2.484 229 K HA 0.542 4.864 4.320 0.003 0.000 0.226 229 K C -2.761 173.823 176.600 -0.026 0.000 1.031 229 K CA -1.530 54.711 56.287 -0.076 0.000 1.026 229 K CB 0.936 33.438 32.500 0.003 0.000 1.412 229 K HN 0.406 8.656 8.250 0.000 0.000 0.492 230 P HA 0.203 4.623 4.420 0.000 0.000 0.288 230 P C -1.262 176.162 177.300 0.207 0.000 1.297 230 P CA -0.776 62.357 63.100 0.056 0.000 0.864 230 P CB 1.037 32.746 31.700 0.016 0.000 1.237 231 N N 0.787 119.600 118.700 0.189 0.000 2.503 231 N HA 0.166 4.908 4.740 0.003 0.000 0.267 231 N C 0.191 175.850 175.510 0.250 0.000 1.214 231 N CA -0.274 52.900 53.050 0.208 0.000 0.959 231 N CB 0.439 39.007 38.487 0.136 0.000 1.142 231 N HN 0.398 8.778 8.380 0.000 0.000 0.455 232 M N 0.622 120.322 119.600 0.168 0.000 2.226 232 M HA 0.107 4.589 4.480 0.003 0.000 0.324 232 M C -0.066 176.252 176.300 0.031 0.000 1.112 232 M CA -0.602 54.694 55.300 -0.006 0.000 1.176 232 M CB 0.947 33.435 32.600 -0.186 0.000 1.430 232 M HN 0.229 8.519 8.290 0.000 0.000 0.462 233 V N 1.982 121.899 119.914 0.004 0.000 2.405 233 V HA 0.303 4.425 4.120 0.003 0.000 0.264 233 V C 0.357 176.428 176.094 -0.038 0.000 1.048 233 V CA -0.115 62.190 62.300 0.008 0.000 0.966 233 V CB 0.094 31.922 31.823 0.008 0.000 1.015 233 V HN 1.000 9.190 8.190 0.000 0.000 0.477 234 T N 4.223 118.763 114.554 -0.023 0.000 2.864 234 T HA 0.652 5.004 4.350 0.003 0.000 0.299 234 T C -3.083 171.567 174.700 -0.084 0.000 1.166 234 T CA -2.023 60.031 62.100 -0.076 0.000 1.007 234 T CB 2.689 71.538 68.868 -0.031 0.000 1.219 234 T HN 0.377 8.617 8.240 0.000 0.000 0.506 235 P HA 0.336 4.756 4.420 0.000 0.000 0.274 235 P C 0.583 177.719 177.300 -0.272 0.000 1.246 235 P CA -0.041 62.942 63.100 -0.194 0.000 0.795 235 P CB 0.209 31.856 31.700 -0.088 0.000 1.006 236 G N 0.044 108.430 108.800 -0.691 0.000 2.554 236 G HA2 -0.107 3.855 3.960 0.003 0.000 0.238 236 G HA3 -0.107 3.855 3.960 0.003 0.000 0.238 236 G C 1.096 175.813 174.900 -0.305 0.000 1.259 236 G CA -0.090 44.583 45.100 -0.712 0.000 0.843 236 G HN 0.730 9.020 8.290 0.000 0.000 0.582 237 H N 1.456 120.325 119.070 -0.336 0.000 2.489 237 H HA -0.089 4.471 4.556 0.006 0.000 0.295 237 H C 2.050 177.175 175.328 -0.339 0.000 1.082 237 H CA 1.517 57.298 56.048 -0.445 0.000 1.295 237 H CB 0.221 29.399 29.762 -0.974 0.000 1.380 237 H HN 0.442 8.722 8.280 0.000 0.000 0.548 238 A N 0.023 122.737 122.820 -0.177 0.000 2.465 238 A HA 0.158 4.480 4.320 0.003 0.000 0.255 238 A C 0.875 178.378 177.584 -0.134 0.000 1.274 238 A CA -0.176 51.784 52.037 -0.129 0.000 0.920 238 A CB -0.626 18.352 19.000 -0.036 0.000 1.033 238 A HN 0.406 8.556 8.150 0.000 0.000 0.516 239 C N 1.411 120.609 119.300 -0.170 0.000 2.653 239 C HA 0.337 4.799 4.460 0.003 0.000 0.421 239 C C 2.394 177.326 174.990 -0.096 0.000 1.334 239 C CA 0.844 59.792 59.018 -0.116 0.000 1.885 239 C CB -0.009 27.671 27.740 -0.100 0.000 2.645 239 C HN 0.706 8.936 8.230 0.000 0.000 0.601 240 T N 1.859 116.370 114.554 -0.072 0.000 2.894 240 T HA -0.058 4.294 4.350 0.003 0.000 0.258 240 T C 0.861 175.498 174.700 -0.104 0.000 1.043 240 T CA 0.627 62.678 62.100 -0.081 0.000 1.141 240 T CB -0.359 68.470 68.868 -0.065 0.000 0.873 240 T HN 0.857 9.097 8.240 0.000 0.000 0.449 241 Q N 1.689 121.425 119.800 -0.106 0.000 2.330 241 Q HA 0.108 4.450 4.340 0.003 0.000 0.279 241 Q C -0.701 175.101 176.000 -0.330 0.000 1.024 241 Q CA 0.018 55.683 55.803 -0.230 0.000 0.900 241 Q CB 0.444 29.036 28.738 -0.244 0.000 1.221 241 Q HN 0.165 8.435 8.270 0.000 0.000 0.396 242 K N 3.280 123.427 120.400 -0.422 0.000 2.123 242 K HA 0.352 4.674 4.320 0.003 0.000 0.259 242 K C -1.242 175.003 176.600 -0.592 0.000 0.960 242 K CA -0.329 55.751 56.287 -0.346 0.000 0.872 242 K CB 1.097 33.470 32.500 -0.210 0.000 1.079 242 K HN 0.513 8.763 8.250 0.000 0.000 0.440 243 Y N -0.971 119.266 120.300 -0.106 0.000 2.576 243 Y HA 0.212 4.763 4.550 0.003 0.000 0.346 243 Y C 0.767 176.575 175.900 -0.154 0.000 1.018 243 Y CA -0.829 57.210 58.100 -0.101 0.000 1.050 243 Y CB 1.868 40.280 38.460 -0.079 0.000 1.280 243 Y HN 0.599 8.879 8.280 0.000 0.000 0.474 244 S N -0.278 115.436 115.700 0.023 0.000 2.681 244 S HA 0.227 4.699 4.470 0.003 0.000 0.270 244 S C 0.505 175.042 174.600 -0.104 0.000 1.209 244 S CA -0.576 57.561 58.200 -0.106 0.000 0.988 244 S CB 0.617 63.798 63.200 -0.031 0.000 1.006 244 S HN 0.761 9.071 8.310 0.000 0.000 0.558 245 H N 0.514 119.609 119.070 0.042 0.000 2.457 245 H HA 0.018 4.575 4.556 0.002 0.000 0.294 245 H C 1.588 176.932 175.328 0.026 0.000 1.064 245 H CA 1.612 57.677 56.048 0.029 0.000 1.330 245 H CB -0.206 29.572 29.762 0.027 0.000 1.395 245 H HN 0.674 8.954 8.280 0.000 0.000 0.541 246 E N 0.977 121.256 120.200 0.132 0.000 2.106 246 E HA -0.098 4.254 4.350 0.003 0.000 0.192 246 E C 2.176 178.817 176.600 0.068 0.000 0.984 246 E CA 0.694 57.147 56.400 0.089 0.000 0.806 246 E CB -0.025 29.718 29.700 0.071 0.000 0.750 246 E HN 0.578 8.938 8.360 0.000 0.000 0.458 247 E N 0.061 120.302 120.200 0.068 0.000 2.072 247 E HA -0.092 4.260 4.350 0.003 0.000 0.190 247 E C 2.080 178.692 176.600 0.019 0.000 0.982 247 E CA 0.681 57.120 56.400 0.065 0.000 0.803 247 E CB -0.092 29.689 29.700 0.136 0.000 0.755 247 E HN 0.262 8.623 8.360 0.000 0.000 0.453 248 I N 1.160 121.737 120.570 0.012 0.000 2.226 248 I HA -0.253 3.919 4.170 0.003 0.000 0.245 248 I C 2.545 178.654 176.117 -0.014 0.000 1.100 248 I CA 0.862 62.146 61.300 -0.027 0.000 1.374 248 I CB -0.290 37.707 38.000 -0.005 0.000 1.057 248 I HN 0.081 8.291 8.210 0.000 0.000 0.413 249 A N 0.368 123.199 122.820 0.019 0.000 1.898 249 A HA -0.256 4.066 4.320 0.003 0.000 0.216 249 A C 2.262 179.869 177.584 0.038 0.000 1.181 249 A CA 1.796 53.845 52.037 0.020 0.000 0.620 249 A CB -0.541 18.486 19.000 0.046 0.000 0.819 249 A HN 0.371 8.521 8.150 0.000 0.000 0.442 250 M N 0.321 119.946 119.600 0.042 0.000 2.117 250 M HA 0.007 4.489 4.480 0.003 0.000 0.262 250 M C 2.134 178.461 176.300 0.046 0.000 1.065 250 M CA 1.758 57.088 55.300 0.049 0.000 1.114 250 M CB -0.697 31.931 32.600 0.047 0.000 1.361 250 M HN 0.355 8.645 8.290 0.000 0.000 0.408 251 A N -1.267 121.567 122.820 0.022 0.000 1.902 251 A HA -0.132 4.190 4.320 0.003 0.000 0.217 251 A C 2.198 179.803 177.584 0.034 0.000 1.181 251 A CA 2.254 54.300 52.037 0.015 0.000 0.623 251 A CB -1.358 17.622 19.000 -0.033 0.000 0.818 251 A HN 0.569 8.719 8.150 0.000 0.000 0.443 252 T N -0.386 114.185 114.554 0.028 0.000 2.701 252 T HA -0.105 4.247 4.350 0.003 0.000 0.263 252 T C 1.887 176.659 174.700 0.120 0.000 1.040 252 T CA 1.636 63.769 62.100 0.055 0.000 1.147 252 T CB -0.444 68.410 68.868 -0.024 0.000 0.865 252 T HN 0.138 8.378 8.240 0.000 0.000 0.426 253 V N 1.601 121.594 119.914 0.133 0.000 2.407 253 V HA -0.170 3.952 4.120 0.003 0.000 0.248 253 V C 2.756 178.962 176.094 0.186 0.000 1.055 253 V CA 1.866 64.287 62.300 0.201 0.000 1.049 253 V CB -1.100 30.833 31.823 0.184 0.000 0.662 253 V HN 0.540 8.730 8.190 0.000 0.000 0.455 254 T N 0.382 115.011 114.554 0.125 0.000 2.737 254 T HA -0.123 4.229 4.350 0.003 0.000 0.265 254 T C 2.105 176.867 174.700 0.103 0.000 1.038 254 T CA 1.568 63.732 62.100 0.106 0.000 1.144 254 T CB -0.390 68.523 68.868 0.076 0.000 0.866 254 T HN 0.567 8.807 8.240 0.000 0.000 0.434 255 A N 1.270 124.143 122.820 0.087 0.000 1.908 255 A HA -0.017 4.305 4.320 0.003 0.000 0.218 255 A C 2.293 179.914 177.584 0.063 0.000 1.181 255 A CA 1.280 53.356 52.037 0.065 0.000 0.627 255 A CB -0.853 18.180 19.000 0.055 0.000 0.818 255 A HN 0.481 8.631 8.150 0.000 0.000 0.445 256 L N -1.411 119.857 121.223 0.074 0.000 2.056 256 L HA -0.147 4.195 4.340 0.003 0.000 0.207 256 L C 2.811 179.788 176.870 0.179 0.000 1.078 256 L CA 1.382 56.212 54.840 -0.015 0.000 0.749 256 L CB -0.469 41.474 42.059 -0.193 0.000 0.901 256 L HN 0.321 8.551 8.230 0.000 0.000 0.433 257 R N -0.032 120.676 120.500 0.346 0.000 2.152 257 R HA -0.104 4.238 4.340 0.003 0.000 0.232 257 R C 2.168 178.577 176.300 0.181 0.000 1.117 257 R CA 1.032 57.341 56.100 0.348 0.000 0.981 257 R CB -0.134 30.294 30.300 0.213 0.000 0.870 257 R HN 0.332 8.602 8.270 0.000 0.000 0.451 258 R N -0.621 119.950 120.500 0.118 0.000 2.310 258 R HA 0.012 4.354 4.340 0.003 0.000 0.202 258 R C 1.297 177.624 176.300 0.044 0.000 0.933 258 R CA 1.386 57.526 56.100 0.068 0.000 1.054 258 R CB 0.450 30.781 30.300 0.051 0.000 0.985 258 R HN 0.328 8.598 8.270 0.000 0.000 0.489 259 T N -4.948 109.629 114.554 0.038 0.000 3.098 259 T HA 0.148 4.500 4.350 0.003 0.000 0.256 259 T C 0.451 175.074 174.700 -0.128 0.000 0.921 259 T CA -0.302 61.797 62.100 -0.002 0.000 0.916 259 T CB 0.259 69.144 68.868 0.029 0.000 1.246 259 T HN -0.173 8.067 8.240 0.000 0.000 0.511 260 V N 4.648 124.456 119.914 -0.176 0.000 2.389 260 V HA 0.398 4.520 4.120 0.003 0.000 0.264 260 V C -2.481 173.536 176.094 -0.128 0.000 1.049 260 V CA -1.899 60.120 62.300 -0.467 0.000 0.932 260 V CB 0.571 32.010 31.823 -0.639 0.000 1.011 260 V HN 0.267 8.457 8.190 0.000 0.000 0.475 261 P HA 0.137 4.557 4.420 0.000 0.000 0.267 261 P C -2.014 175.369 177.300 0.140 0.000 1.200 261 P CA -1.076 61.980 63.100 -0.073 0.000 0.772 261 P CB 0.178 31.788 31.700 -0.151 0.000 0.855 262 P HA -0.219 4.201 4.420 0.000 0.000 0.217 262 P C 1.162 178.494 177.300 0.053 0.000 1.148 262 P CA 1.745 64.840 63.100 -0.009 0.000 0.828 262 P CB -0.317 31.315 31.700 -0.114 0.000 0.783 263 A N -0.727 122.107 122.820 0.024 0.000 2.076 263 A HA -0.085 4.237 4.320 0.003 0.000 0.220 263 A C 1.095 178.671 177.584 -0.013 0.000 1.160 263 A CA 0.755 52.788 52.037 -0.007 0.000 0.653 263 A CB -1.381 17.599 19.000 -0.032 0.000 0.801 263 A HN 0.053 8.203 8.150 0.000 0.000 0.455 264 V N 1.201 121.137 119.914 0.037 0.000 2.540 264 V HA -0.021 4.101 4.120 0.003 0.000 0.297 264 V C 1.678 177.784 176.094 0.019 0.000 1.024 264 V CA 0.945 63.243 62.300 -0.005 0.000 1.105 264 V CB 0.599 32.374 31.823 -0.080 0.000 0.938 264 V HN 0.564 8.754 8.190 0.000 0.000 0.482 265 T N 3.695 118.179 114.554 -0.116 0.000 2.821 265 T HA 0.113 4.465 4.350 0.003 0.000 0.267 265 T C 0.730 175.327 174.700 -0.172 0.000 1.046 265 T CA 1.405 63.365 62.100 -0.235 0.000 1.139 265 T CB -0.007 68.591 68.868 -0.451 0.000 0.871 265 T HN 0.977 9.217 8.240 0.000 0.000 0.454 266 G N -0.527 108.178 108.800 -0.159 0.000 2.601 266 G HA2 0.504 4.466 3.960 0.003 0.000 0.291 266 G HA3 0.504 4.466 3.960 0.003 0.000 0.291 266 G C -2.058 172.691 174.900 -0.251 0.000 1.456 266 G CA -0.661 44.345 45.100 -0.157 0.000 0.804 266 G HN 0.068 8.358 8.290 0.000 0.000 0.499 267 V N 1.209 120.935 119.914 -0.313 0.000 2.378 267 V HA 0.628 4.750 4.120 0.003 0.000 0.288 267 V C 0.170 175.946 176.094 -0.529 0.000 1.016 267 V CA -0.415 61.580 62.300 -0.509 0.000 0.840 267 V CB 1.487 32.861 31.823 -0.748 0.000 0.994 267 V HN 1.077 9.267 8.190 0.000 0.000 0.431 268 T N 1.968 116.258 114.554 -0.440 0.000 2.947 268 T HA 0.588 4.940 4.350 0.003 0.000 0.337 268 T C -0.454 174.119 174.700 -0.212 0.000 1.139 268 T CA -0.399 61.513 62.100 -0.314 0.000 0.992 268 T CB -0.210 68.511 68.868 -0.246 0.000 1.043 268 T HN 0.129 8.369 8.240 0.000 0.000 0.498 269 F N 3.355 123.308 119.950 0.005 0.000 2.563 269 F HA 0.357 4.883 4.527 -0.001 0.000 0.363 269 F C 0.792 176.735 175.800 0.238 0.000 1.123 269 F CA -1.171 56.896 58.000 0.111 0.000 1.307 269 F CB 0.275 39.375 39.000 0.166 0.000 1.115 269 F HN 0.564 8.864 8.300 0.000 0.000 0.592 270 L N 0.456 121.937 121.223 0.429 0.000 2.357 270 L HA 0.528 4.870 4.340 0.003 0.000 0.273 270 L C 0.806 177.884 176.870 0.348 0.000 1.080 270 L CA -0.233 54.824 54.840 0.362 0.000 0.803 270 L CB 1.121 43.310 42.059 0.216 0.000 1.174 270 L HN 0.586 8.816 8.230 0.000 0.000 0.443 271 S N 0.026 115.849 115.700 0.204 0.000 2.528 271 S HA 0.396 4.868 4.470 0.003 0.000 0.219 271 S C 1.255 175.863 174.600 0.013 0.000 0.985 271 S CA 0.071 58.243 58.200 -0.047 0.000 0.914 271 S CB -0.777 62.137 63.200 -0.477 0.000 0.776 271 S HN 1.623 9.933 8.310 0.000 0.000 0.526 272 G N 1.793 110.634 108.800 0.068 0.000 2.602 272 G HA2 -0.246 3.715 3.960 0.003 0.000 0.310 272 G HA3 -0.246 3.715 3.960 0.003 0.000 0.310 272 G C 0.748 175.698 174.900 0.082 0.000 1.183 272 G CA 0.172 45.325 45.100 0.089 0.000 0.979 272 G HN 1.406 9.696 8.290 0.000 0.000 0.545 273 G N 0.282 109.184 108.800 0.169 0.000 3.453 273 G HA2 0.487 4.449 3.960 0.003 0.000 0.263 273 G HA3 0.487 4.449 3.960 0.003 0.000 0.263 273 G C 0.562 175.558 174.900 0.160 0.000 1.060 273 G CA 0.806 46.036 45.100 0.218 0.000 0.793 273 G HN 0.748 9.038 8.290 0.000 0.000 0.532 274 Q N 1.300 121.143 119.800 0.071 0.000 2.392 274 Q HA 0.332 4.674 4.340 0.003 0.000 0.262 274 Q C 0.740 176.730 176.000 -0.018 0.000 1.003 274 Q CA -0.100 55.716 55.803 0.021 0.000 0.888 274 Q CB 1.006 29.723 28.738 -0.035 0.000 1.260 274 Q HN 0.386 8.656 8.270 0.000 0.000 0.435 275 S N 0.958 116.657 115.700 -0.001 0.000 2.608 275 S HA 0.031 4.503 4.470 0.003 0.000 0.261 275 S C 0.740 175.303 174.600 -0.060 0.000 1.314 275 S CA -0.559 57.636 58.200 -0.009 0.000 0.992 275 S CB 0.851 64.061 63.200 0.017 0.000 0.935 275 S HN 0.676 8.986 8.310 0.000 0.000 0.564 276 E N 0.486 120.655 120.200 -0.051 0.000 2.070 276 E HA -0.233 4.119 4.350 0.003 0.000 0.197 276 E C 1.887 178.441 176.600 -0.077 0.000 1.004 276 E CA 1.644 57.996 56.400 -0.079 0.000 0.805 276 E CB -0.211 29.469 29.700 -0.033 0.000 0.744 276 E HN 0.811 9.171 8.360 0.000 0.000 0.451 277 E N 1.123 121.308 120.200 -0.025 0.000 2.072 277 E HA -0.206 4.146 4.350 0.003 0.000 0.191 277 E C 1.869 178.466 176.600 -0.005 0.000 0.985 277 E CA 1.354 57.759 56.400 0.008 0.000 0.801 277 E CB -0.031 29.697 29.700 0.046 0.000 0.750 277 E HN 0.264 8.624 8.360 0.000 0.000 0.452 278 E N -0.516 119.681 120.200 -0.006 0.000 2.077 278 E HA -0.217 4.135 4.350 0.003 0.000 0.193 278 E C 1.925 178.504 176.600 -0.035 0.000 0.989 278 E CA 1.121 57.526 56.400 0.008 0.000 0.800 278 E CB -0.243 29.482 29.700 0.042 0.000 0.746 278 E HN 0.313 8.673 8.360 0.000 0.000 0.452 279 A N 0.389 123.151 122.820 -0.097 0.000 1.908 279 A HA -0.179 4.143 4.320 0.003 0.000 0.218 279 A C 2.357 179.932 177.584 -0.016 0.000 1.181 279 A CA 1.926 53.874 52.037 -0.148 0.000 0.627 279 A CB -0.525 18.164 19.000 -0.518 0.000 0.818 279 A HN 0.286 8.436 8.150 0.000 0.000 0.445 280 S N -0.265 115.394 115.700 -0.067 0.000 2.371 280 S HA -0.046 4.425 4.470 0.003 0.000 0.224 280 S C 1.809 176.378 174.600 -0.050 0.000 1.029 280 S CA 1.316 59.433 58.200 -0.137 0.000 0.978 280 S CB -0.449 62.498 63.200 -0.421 0.000 0.833 280 S HN 0.548 8.858 8.310 0.000 0.000 0.466 281 I N 2.191 122.752 120.570 -0.016 0.000 2.179 281 I HA -0.195 3.976 4.170 0.003 0.000 0.242 281 I C 2.166 178.207 176.117 -0.126 0.000 1.088 281 I CA 0.914 62.168 61.300 -0.077 0.000 1.357 281 I CB -0.457 37.335 38.000 -0.347 0.000 1.051 281 I HN 0.231 8.441 8.210 0.000 0.000 0.409 282 N N 0.826 119.475 118.700 -0.085 0.000 2.142 282 N HA -0.159 4.583 4.740 0.003 0.000 0.186 282 N C 1.841 177.336 175.510 -0.026 0.000 1.023 282 N CA 1.127 54.166 53.050 -0.017 0.000 0.852 282 N CB -0.458 38.034 38.487 0.009 0.000 0.998 282 N HN 0.194 8.574 8.380 0.000 0.000 0.424 283 L N 2.048 123.274 121.223 0.005 0.000 2.079 283 L HA -0.089 4.253 4.340 0.003 0.000 0.210 283 L C 1.797 178.706 176.870 0.064 0.000 1.081 283 L CA 1.636 56.501 54.840 0.041 0.000 0.752 283 L CB -1.006 41.141 42.059 0.148 0.000 0.896 283 L HN 0.231 8.461 8.230 0.000 0.000 0.433 284 N N -0.333 118.406 118.700 0.065 0.000 2.084 284 N HA -0.196 4.546 4.740 0.003 0.000 0.190 284 N C 1.783 177.335 175.510 0.071 0.000 1.030 284 N CA 1.449 54.555 53.050 0.093 0.000 0.849 284 N CB 0.028 38.606 38.487 0.153 0.000 1.012 284 N HN 0.489 8.869 8.380 0.000 0.000 0.423 285 A N 1.372 124.220 122.820 0.047 0.000 1.933 285 A HA -0.080 4.242 4.320 0.003 0.000 0.218 285 A C 2.294 179.912 177.584 0.056 0.000 1.175 285 A CA 0.825 52.895 52.037 0.054 0.000 0.628 285 A CB -0.565 18.478 19.000 0.073 0.000 0.814 285 A HN 0.376 8.526 8.150 0.000 0.000 0.444 286 I N -0.060 120.534 120.570 0.041 0.000 2.226 286 I HA -0.248 3.924 4.170 0.003 0.000 0.245 286 I C 2.005 178.186 176.117 0.106 0.000 1.100 286 I CA 1.177 62.510 61.300 0.054 0.000 1.374 286 I CB -0.373 37.624 38.000 -0.004 0.000 1.057 286 I HN 0.361 8.571 8.210 0.000 0.000 0.413 287 N N 0.854 119.619 118.700 0.110 0.000 2.459 287 N HA -0.112 4.630 4.740 0.003 0.000 0.181 287 N C 1.339 176.900 175.510 0.085 0.000 1.046 287 N CA 0.905 54.023 53.050 0.113 0.000 0.904 287 N CB 0.086 38.641 38.487 0.114 0.000 0.964 287 N HN 0.451 8.831 8.380 0.000 0.000 0.444 288 K N -0.004 120.440 120.400 0.073 0.000 2.367 288 K HA 0.111 4.433 4.320 0.003 0.000 0.194 288 K C 0.472 177.105 176.600 0.055 0.000 1.027 288 K CA -0.254 56.068 56.287 0.058 0.000 1.075 288 K CB 0.456 32.987 32.500 0.052 0.000 0.845 288 K HN 0.014 8.264 8.250 0.000 0.000 0.529 289 C N 2.852 122.190 119.300 0.065 0.000 2.590 289 C HA 0.051 4.513 4.460 0.003 0.000 0.411 289 C C -1.077 173.944 174.990 0.051 0.000 1.420 289 C CA -1.516 57.539 59.018 0.062 0.000 1.643 289 C CB 0.374 28.160 27.740 0.078 0.000 2.528 289 C HN 0.318 8.548 8.230 0.000 0.000 0.606 290 P HA -0.087 4.333 4.420 0.000 0.000 0.220 290 P C 0.156 177.469 177.300 0.022 0.000 1.144 290 P CA 1.112 64.228 63.100 0.028 0.000 0.800 290 P CB -0.051 31.664 31.700 0.026 0.000 0.772 291 L N -1.009 120.232 121.223 0.030 0.000 2.464 291 L HA 0.069 4.411 4.340 0.003 0.000 0.264 291 L C 0.770 177.638 176.870 -0.003 0.000 1.199 291 L CA -1.014 53.838 54.840 0.020 0.000 0.818 291 L CB -0.152 41.932 42.059 0.042 0.000 1.102 291 L HN -0.099 8.131 8.230 0.000 0.000 0.473 292 L N 2.606 123.806 121.223 -0.040 0.000 2.410 292 L HA 0.137 4.479 4.340 0.003 0.000 0.273 292 L C -0.458 176.307 176.870 -0.174 0.000 1.152 292 L CA 0.463 55.245 54.840 -0.097 0.000 0.855 292 L CB 0.146 42.136 42.059 -0.114 0.000 1.129 292 L HN 0.430 8.660 8.230 0.000 0.000 0.463 293 K N 6.904 127.171 120.400 -0.222 0.000 2.572 293 K HA 0.366 4.688 4.320 0.003 0.000 0.244 293 K C -1.920 174.340 176.600 -0.567 0.000 0.965 293 K CA -1.148 54.902 56.287 -0.396 0.000 0.943 293 K CB 1.244 33.739 32.500 -0.008 0.000 1.154 293 K HN 0.451 8.701 8.250 0.000 0.000 0.447 294 P HA -0.049 4.371 4.420 0.000 0.000 0.249 294 P C -0.945 175.956 177.300 -0.665 0.000 1.241 294 P CA 0.213 62.819 63.100 -0.825 0.000 0.781 294 P CB 0.152 31.354 31.700 -0.831 0.000 1.088 295 W N -0.694 120.571 121.300 -0.058 0.000 3.031 295 W HA 0.658 5.322 4.660 0.006 0.000 0.337 295 W C -0.613 175.860 176.519 -0.078 0.000 1.187 295 W CA -1.685 55.607 57.345 -0.088 0.000 1.166 295 W CB 0.978 30.367 29.460 -0.119 0.000 1.437 295 W HN -0.224 7.956 8.180 0.000 0.000 0.551 296 A N 2.285 125.201 122.820 0.160 0.000 2.511 296 A HA 0.508 4.830 4.320 0.003 0.000 0.242 296 A C -0.607 177.022 177.584 0.075 0.000 1.069 296 A CA 0.034 52.113 52.037 0.069 0.000 0.763 296 A CB 0.225 19.206 19.000 -0.032 0.000 1.001 296 A HN 0.631 8.781 8.150 0.000 0.000 0.498 297 L N 3.162 124.449 121.223 0.107 0.000 2.353 297 L HA 0.450 4.792 4.340 0.003 0.000 0.270 297 L C 0.450 177.407 176.870 0.145 0.000 1.003 297 L CA -0.139 54.791 54.840 0.150 0.000 0.862 297 L CB 1.346 43.602 42.059 0.328 0.000 1.221 297 L HN 0.909 9.139 8.230 0.000 0.000 0.430 298 T N 1.621 116.192 114.554 0.029 0.000 2.604 298 T HA 0.679 5.031 4.350 0.003 0.000 0.267 298 T C -1.080 173.626 174.700 0.011 0.000 0.923 298 T CA -0.361 61.740 62.100 0.001 0.000 1.077 298 T CB 1.124 69.845 68.868 -0.244 0.000 1.392 298 T HN 0.210 8.450 8.240 0.000 0.000 0.531 299 F N -0.035 119.776 119.950 -0.233 0.000 2.575 299 F HA 0.852 5.378 4.527 -0.001 0.000 0.330 299 F C 0.020 175.589 175.800 -0.385 0.000 1.056 299 F CA -1.172 56.512 58.000 -0.527 0.000 0.964 299 F CB 1.676 39.941 39.000 -1.226 0.000 1.258 299 F HN 0.372 8.672 8.300 0.000 0.000 0.484 300 S N 1.678 117.284 115.700 -0.158 0.000 2.386 300 S HA 0.422 4.894 4.470 0.003 0.000 0.152 300 S C -1.931 172.851 174.600 0.303 0.000 1.511 300 S CA -0.396 57.824 58.200 0.033 0.000 1.246 300 S CB -0.601 62.617 63.200 0.030 0.000 1.338 300 S HN 0.516 8.826 8.310 0.000 0.000 0.409 301 Y N 0.931 121.414 120.300 0.306 0.000 2.387 301 Y HA 0.701 5.255 4.550 0.006 0.000 0.330 301 Y C 1.189 177.180 175.900 0.152 0.000 1.133 301 Y CA -0.713 57.509 58.100 0.203 0.000 1.152 301 Y CB 1.367 39.923 38.460 0.160 0.000 1.215 301 Y HN 0.474 8.754 8.280 0.000 0.000 0.466 302 G N 1.838 110.799 108.800 0.269 0.000 2.534 302 G HA2 0.048 4.010 3.960 0.003 0.000 0.224 302 G HA3 0.048 4.010 3.960 0.003 0.000 0.224 302 G C 1.238 176.215 174.900 0.129 0.000 1.822 302 G CA -0.268 44.929 45.100 0.160 0.000 0.805 302 G HN 0.527 8.817 8.290 0.000 0.000 0.649 303 R N 0.771 121.320 120.500 0.083 0.000 2.152 303 R HA 0.030 4.372 4.340 0.003 0.000 0.232 303 R C 2.677 179.002 176.300 0.041 0.000 1.117 303 R CA 0.982 57.119 56.100 0.061 0.000 0.981 303 R CB -0.316 30.002 30.300 0.029 0.000 0.870 303 R HN 0.331 8.601 8.270 0.000 0.000 0.451 304 A N 0.609 123.424 122.820 -0.008 0.000 2.178 304 A HA -0.062 4.260 4.320 0.003 0.000 0.218 304 A C 1.848 179.442 177.584 0.017 0.000 1.157 304 A CA 1.022 52.996 52.037 -0.106 0.000 0.689 304 A CB -0.123 18.581 19.000 -0.493 0.000 0.787 304 A HN 0.219 8.369 8.150 0.000 0.000 0.465 305 L N -2.540 118.761 121.223 0.130 0.000 2.642 305 L HA 0.087 4.429 4.340 0.003 0.000 0.233 305 L C 2.156 179.160 176.870 0.223 0.000 1.077 305 L CA 0.324 55.279 54.840 0.192 0.000 0.879 305 L CB 0.134 42.371 42.059 0.298 0.000 1.151 305 L HN 0.359 8.589 8.230 0.000 0.000 0.495 306 Q N -0.458 119.438 119.800 0.160 0.000 2.350 306 Q HA 0.192 4.534 4.340 0.003 0.000 0.225 306 Q C 2.236 178.330 176.000 0.157 0.000 0.878 306 Q CA 0.569 56.470 55.803 0.163 0.000 0.935 306 Q CB 0.435 29.278 28.738 0.174 0.000 1.099 306 Q HN 0.402 8.672 8.270 0.000 0.000 0.527 307 A N 1.290 124.176 122.820 0.110 0.000 1.870 307 A HA -0.307 4.015 4.320 0.003 0.000 0.219 307 A C 2.234 179.877 177.584 0.097 0.000 1.224 307 A CA 2.393 54.481 52.037 0.085 0.000 0.650 307 A CB -0.939 18.092 19.000 0.053 0.000 0.836 307 A HN 0.287 8.437 8.150 0.000 0.000 0.454 308 S N -0.524 115.233 115.700 0.096 0.000 2.382 308 S HA 0.019 4.491 4.470 0.003 0.000 0.228 308 S C 2.285 176.965 174.600 0.134 0.000 1.027 308 S CA 1.199 59.458 58.200 0.098 0.000 0.991 308 S CB -0.522 62.726 63.200 0.081 0.000 0.823 308 S HN 0.854 9.164 8.310 0.000 0.000 0.469 309 A N 1.926 124.846 122.820 0.166 0.000 1.877 309 A HA -0.026 4.296 4.320 0.003 0.000 0.216 309 A C 2.082 179.830 177.584 0.275 0.000 1.186 309 A CA 1.096 53.255 52.037 0.204 0.000 0.620 309 A CB -0.779 18.337 19.000 0.194 0.000 0.822 309 A HN 0.427 8.577 8.150 0.000 0.000 0.443 310 L N 0.022 121.409 121.223 0.273 0.000 2.042 310 L HA -0.187 4.155 4.340 0.003 0.000 0.210 310 L C 2.297 179.294 176.870 0.211 0.000 1.076 310 L CA 2.723 57.729 54.840 0.276 0.000 0.749 310 L CB -0.884 41.253 42.059 0.130 0.000 0.893 310 L HN 0.578 8.808 8.230 0.000 0.000 0.432 311 K N -0.512 119.972 120.400 0.139 0.000 2.057 311 K HA -0.126 4.196 4.320 0.003 0.000 0.206 311 K C 1.971 178.637 176.600 0.110 0.000 1.050 311 K CA 1.293 57.633 56.287 0.088 0.000 0.935 311 K CB -0.011 32.529 32.500 0.066 0.000 0.715 311 K HN 0.366 8.616 8.250 0.000 0.000 0.439 312 A N 0.396 123.309 122.820 0.154 0.000 1.969 312 A HA -0.161 4.161 4.320 0.003 0.000 0.218 312 A C 1.808 179.534 177.584 0.236 0.000 1.169 312 A CA 1.168 53.302 52.037 0.161 0.000 0.635 312 A CB -0.793 18.300 19.000 0.155 0.000 0.810 312 A HN 0.711 8.861 8.150 0.000 0.000 0.445 313 W N 0.194 121.542 121.300 0.080 0.000 2.408 313 W HA 0.167 4.811 4.660 -0.026 0.000 0.311 313 W C 1.641 178.203 176.519 0.072 0.000 1.190 313 W CA 1.725 59.131 57.345 0.101 0.000 1.321 313 W CB -0.713 28.834 29.460 0.145 0.000 1.143 313 W HN 0.678 8.858 8.180 0.000 0.000 0.501 314 G N -0.109 108.616 108.800 -0.124 0.000 2.180 314 G HA2 -0.146 3.816 3.960 0.003 0.000 0.263 314 G HA3 -0.146 3.816 3.960 0.003 0.000 0.263 314 G C 1.373 175.851 174.900 -0.703 0.000 0.989 314 G CA 1.345 46.247 45.100 -0.330 0.000 0.692 314 G HN 1.585 9.875 8.290 0.000 0.000 0.526 315 G N -1.546 106.263 108.800 -1.652 0.000 2.179 315 G HA2 -0.271 3.691 3.960 0.003 0.000 0.260 315 G HA3 -0.271 3.691 3.960 0.003 0.000 0.260 315 G C 0.420 174.857 174.900 -0.772 0.000 0.977 315 G CA 0.984 45.063 45.100 -1.701 0.000 0.641 315 G HN 1.052 9.342 8.290 0.000 0.000 0.533 316 K N 1.016 121.128 120.400 -0.479 0.000 2.285 316 K HA 0.361 4.683 4.320 0.003 0.000 0.286 316 K C 1.255 178.000 176.600 0.242 0.000 1.072 316 K CA -0.354 55.891 56.287 -0.069 0.000 0.913 316 K CB 1.273 33.754 32.500 -0.031 0.000 1.067 316 K HN 0.369 8.619 8.250 0.000 0.000 0.479 317 K N 1.537 122.068 120.400 0.218 0.000 2.281 317 K HA -0.210 4.112 4.320 0.003 0.000 0.203 317 K C 1.392 178.163 176.600 0.285 0.000 1.046 317 K CA 1.589 58.056 56.287 0.301 0.000 0.938 317 K CB 0.186 32.711 32.500 0.043 0.000 0.737 317 K HN 0.645 8.895 8.250 0.000 0.000 0.458 318 E N 0.420 120.734 120.200 0.190 0.000 2.427 318 E HA -0.072 4.279 4.350 0.003 0.000 0.196 318 E C 0.829 177.532 176.600 0.172 0.000 1.028 318 E CA 0.567 57.057 56.400 0.149 0.000 0.864 318 E CB 0.045 29.800 29.700 0.092 0.000 0.813 318 E HN 0.183 8.543 8.360 0.000 0.000 0.514 319 N N 0.831 119.677 118.700 0.243 0.000 2.235 319 N HA 0.035 4.777 4.740 0.003 0.000 0.209 319 N C 1.261 176.939 175.510 0.279 0.000 1.122 319 N CA -0.052 53.144 53.050 0.243 0.000 0.845 319 N CB 0.550 39.186 38.487 0.248 0.000 1.004 319 N HN 0.179 8.559 8.380 0.000 0.000 0.499 320 L N 1.749 123.137 121.223 0.275 0.000 1.963 320 L HA -0.223 4.119 4.340 0.003 0.000 0.220 320 L C 1.990 178.915 176.870 0.091 0.000 1.076 320 L CA 2.002 56.942 54.840 0.168 0.000 0.772 320 L CB -0.399 41.755 42.059 0.159 0.000 0.892 320 L HN -0.102 8.128 8.230 0.000 0.000 0.435 321 K N -0.081 120.374 120.400 0.091 0.000 2.044 321 K HA -0.161 4.161 4.320 0.003 0.000 0.210 321 K C 2.118 178.763 176.600 0.075 0.000 1.049 321 K CA 1.735 58.062 56.287 0.067 0.000 0.927 321 K CB -1.072 31.467 32.500 0.064 0.000 0.713 321 K HN 0.563 8.813 8.250 0.000 0.000 0.443 322 A N 1.209 124.087 122.820 0.096 0.000 1.933 322 A HA -0.091 4.231 4.320 0.003 0.000 0.218 322 A C 2.408 180.060 177.584 0.113 0.000 1.175 322 A CA 2.108 54.204 52.037 0.098 0.000 0.628 322 A CB -0.533 18.530 19.000 0.105 0.000 0.814 322 A HN 0.335 8.485 8.150 0.000 0.000 0.444 323 A N -0.606 122.297 122.820 0.139 0.000 1.855 323 A HA -0.193 4.129 4.320 0.003 0.000 0.215 323 A C 2.115 179.763 177.584 0.108 0.000 1.191 323 A CA 1.563 53.691 52.037 0.151 0.000 0.613 323 A CB -0.650 18.457 19.000 0.179 0.000 0.829 323 A HN 0.621 8.771 8.150 0.000 0.000 0.442 324 Q N -1.019 118.818 119.800 0.063 0.000 2.135 324 Q HA -0.241 4.101 4.340 0.003 0.000 0.204 324 Q C 2.040 178.108 176.000 0.114 0.000 0.981 324 Q CA 1.580 57.433 55.803 0.083 0.000 0.856 324 Q CB -0.170 28.587 28.738 0.033 0.000 0.902 324 Q HN 0.708 8.978 8.270 0.000 0.000 0.425 325 E N 1.002 121.249 120.200 0.078 0.000 2.110 325 E HA -0.198 4.154 4.350 0.003 0.000 0.193 325 E C 1.698 178.330 176.600 0.053 0.000 0.988 325 E CA 1.165 57.597 56.400 0.053 0.000 0.804 325 E CB 0.098 29.827 29.700 0.049 0.000 0.745 325 E HN 0.232 8.592 8.360 0.000 0.000 0.458 326 E N -0.620 119.631 120.200 0.085 0.000 2.106 326 E HA -0.177 4.175 4.350 0.003 0.000 0.192 326 E C 1.956 178.613 176.600 0.095 0.000 0.984 326 E CA 0.968 57.419 56.400 0.085 0.000 0.806 326 E CB -0.590 29.174 29.700 0.108 0.000 0.750 326 E HN 0.440 8.800 8.360 0.000 0.000 0.458 327 Y N 1.787 122.089 120.300 0.003 0.000 2.145 327 Y HA -0.196 4.357 4.550 0.005 0.000 0.286 327 Y C 2.230 178.116 175.900 -0.023 0.000 1.145 327 Y CA 1.077 59.168 58.100 -0.015 0.000 1.148 327 Y CB -0.543 37.892 38.460 -0.041 0.000 0.981 327 Y HN -0.206 8.074 8.280 0.000 0.000 0.507 328 V N 1.151 120.903 119.914 -0.270 0.000 2.332 328 V HA -0.350 3.772 4.120 0.003 0.000 0.248 328 V C 2.291 178.242 176.094 -0.237 0.000 1.055 328 V CA 2.451 64.547 62.300 -0.340 0.000 1.038 328 V CB -0.704 31.039 31.823 -0.133 0.000 0.651 328 V HN 0.359 8.549 8.190 0.000 0.000 0.450 329 K N -0.435 119.890 120.400 -0.125 0.000 2.097 329 K HA -0.142 4.180 4.320 0.003 0.000 0.206 329 K C 2.390 178.921 176.600 -0.115 0.000 1.049 329 K CA 1.099 57.339 56.287 -0.079 0.000 0.933 329 K CB -0.198 32.289 32.500 -0.021 0.000 0.717 329 K HN 0.263 8.513 8.250 0.000 0.000 0.442 330 R N 0.300 120.716 120.500 -0.141 0.000 2.119 330 R HA 0.060 4.402 4.340 0.003 0.000 0.222 330 R C 2.171 178.304 176.300 -0.278 0.000 1.088 330 R CA 1.171 57.170 56.100 -0.168 0.000 0.984 330 R CB -0.798 29.453 30.300 -0.081 0.000 0.884 330 R HN 0.213 8.483 8.270 0.000 0.000 0.447 331 A N 1.060 123.670 122.820 -0.351 0.000 1.898 331 A HA -0.058 4.264 4.320 0.003 0.000 0.216 331 A C 2.313 179.748 177.584 -0.248 0.000 1.181 331 A CA 0.977 52.800 52.037 -0.357 0.000 0.620 331 A CB -0.498 18.207 19.000 -0.491 0.000 0.819 331 A HN 0.180 8.330 8.150 0.000 0.000 0.442 332 L N -0.850 120.254 121.223 -0.199 0.000 2.093 332 L HA -0.156 4.186 4.340 0.003 0.000 0.208 332 L C 3.078 179.875 176.870 -0.121 0.000 1.085 332 L CA 0.909 55.681 54.840 -0.113 0.000 0.755 332 L CB -0.509 41.508 42.059 -0.070 0.000 0.904 332 L HN 0.439 8.669 8.230 0.000 0.000 0.435 333 A N 0.303 123.002 122.820 -0.202 0.000 1.877 333 A HA -0.196 4.126 4.320 0.003 0.000 0.216 333 A C 2.045 179.307 177.584 -0.536 0.000 1.186 333 A CA 1.785 53.591 52.037 -0.386 0.000 0.620 333 A CB -0.534 18.159 19.000 -0.513 0.000 0.822 333 A HN 0.431 8.581 8.150 0.000 0.000 0.443 334 N N -0.177 118.216 118.700 -0.512 0.000 2.331 334 N HA -0.093 4.649 4.740 0.003 0.000 0.180 334 N C 1.911 177.293 175.510 -0.212 0.000 1.019 334 N CA 1.254 53.961 53.050 -0.572 0.000 0.881 334 N CB -0.215 37.520 38.487 -1.254 0.000 0.972 334 N HN 0.495 8.875 8.380 0.000 0.000 0.435 335 S N 0.790 116.440 115.700 -0.085 0.000 2.383 335 S HA 0.072 4.544 4.470 0.003 0.000 0.227 335 S C 1.944 176.589 174.600 0.074 0.000 1.026 335 S CA 0.478 58.745 58.200 0.112 0.000 0.981 335 S CB -0.006 63.233 63.200 0.065 0.000 0.818 335 S HN 0.207 8.517 8.310 0.000 0.000 0.472 336 L N 0.767 122.007 121.223 0.028 0.000 2.179 336 L HA 0.096 4.438 4.340 0.003 0.000 0.208 336 L C 2.929 179.861 176.870 0.103 0.000 1.096 336 L CA 0.954 55.845 54.840 0.084 0.000 0.779 336 L CB -0.646 41.505 42.059 0.154 0.000 0.922 336 L HN 0.391 8.621 8.230 0.000 0.000 0.443 337 A N 0.164 123.008 122.820 0.039 0.000 1.930 337 A HA -0.239 4.083 4.320 0.003 0.000 0.217 337 A C 2.293 179.939 177.584 0.105 0.000 1.175 337 A CA 1.546 53.621 52.037 0.063 0.000 0.627 337 A CB -1.068 17.885 19.000 -0.079 0.000 0.815 337 A HN 0.695 8.845 8.150 0.000 0.000 0.443 338 C N -1.501 117.879 119.300 0.133 0.000 2.525 338 C HA 0.260 4.722 4.460 0.003 0.000 0.279 338 C C 1.505 176.561 174.990 0.110 0.000 1.437 338 C CA 0.431 59.543 59.018 0.157 0.000 1.704 338 C CB -1.687 26.173 27.740 0.199 0.000 1.672 338 C HN 0.616 8.846 8.230 0.000 0.000 0.582 339 Q N 0.001 119.860 119.800 0.097 0.000 2.140 339 Q HA 0.272 4.614 4.340 0.003 0.000 0.227 339 Q C 1.406 177.452 176.000 0.076 0.000 0.798 339 Q CA 0.439 56.288 55.803 0.077 0.000 0.987 339 Q CB 0.901 29.679 28.738 0.065 0.000 1.161 339 Q HN 0.707 8.977 8.270 0.000 0.000 0.480 340 G N 2.314 111.169 108.800 0.092 0.000 2.176 340 G HA2 -0.306 3.655 3.960 0.003 0.000 0.252 340 G HA3 -0.306 3.655 3.960 0.003 0.000 0.252 340 G C 0.361 175.309 174.900 0.080 0.000 1.024 340 G CA 0.598 45.750 45.100 0.086 0.000 0.755 340 G HN 0.262 8.552 8.290 0.000 0.000 0.507 341 K N -0.922 119.537 120.400 0.098 0.000 2.478 341 K HA 0.241 4.563 4.320 0.003 0.000 0.205 341 K C -0.030 176.641 176.600 0.119 0.000 1.033 341 K CA -0.601 55.736 56.287 0.083 0.000 1.091 341 K CB 0.810 33.350 32.500 0.068 0.000 0.844 341 K HN 0.360 8.610 8.250 0.000 0.000 0.507 342 Y N 2.285 122.584 120.300 -0.001 0.000 2.327 342 Y HA 0.171 4.725 4.550 0.007 0.000 0.336 342 Y C -0.302 175.585 175.900 -0.021 0.000 1.035 342 Y CA -0.491 57.601 58.100 -0.014 0.000 1.165 342 Y CB 1.027 39.475 38.460 -0.021 0.000 1.181 342 Y HN 0.006 8.286 8.280 0.000 0.000 0.494 343 T N 6.998 121.138 114.554 -0.689 0.000 3.089 343 T HA 0.319 4.671 4.350 0.003 0.000 0.340 343 T C -1.985 172.285 174.700 -0.716 0.000 1.008 343 T CA -1.471 60.282 62.100 -0.578 0.000 1.096 343 T CB 1.327 70.044 68.868 -0.252 0.000 1.024 343 T HN 0.486 8.726 8.240 0.000 0.000 0.477 344 P HA -0.157 4.263 4.420 0.000 0.000 0.203 344 P C 0.631 177.804 177.300 -0.212 0.000 1.002 344 P CA 1.056 63.886 63.100 -0.450 0.000 0.964 344 P CB -0.597 30.971 31.700 -0.221 0.000 0.727 345 S N -0.153 115.465 115.700 -0.137 0.000 3.275 345 S HA 0.037 4.509 4.470 0.003 0.000 0.385 345 S C 0.266 174.835 174.600 -0.053 0.000 0.887 345 S CA 0.975 59.126 58.200 -0.081 0.000 1.346 345 S CB -1.651 61.497 63.200 -0.086 0.000 0.955 345 S HN 1.035 9.345 8.310 0.000 0.000 0.587 346 G N 3.082 111.864 108.800 -0.029 0.000 2.513 346 G HA2 0.180 4.142 3.960 0.003 0.000 0.182 346 G HA3 0.180 4.142 3.960 0.003 0.000 0.182 346 G C -0.109 174.793 174.900 0.003 0.000 1.190 346 G CA 0.221 45.314 45.100 -0.011 0.000 0.987 346 G HN 0.522 8.812 8.290 0.000 0.000 0.479 347 Q N -0.112 119.695 119.800 0.012 0.000 1.565 347 Q HA 0.282 4.624 4.340 0.003 0.000 0.499 347 Q C 1.387 177.403 176.000 0.027 0.000 0.982 347 Q CA 1.712 57.527 55.803 0.020 0.000 0.894 347 Q CB -0.493 28.259 28.738 0.024 0.000 0.939 347 Q HN 2.270 10.540 8.270 0.000 0.000 0.381 348 A N 0.654 123.496 122.820 0.037 0.000 1.848 348 A HA -0.055 4.267 4.320 0.003 0.000 0.241 348 A C 0.493 178.099 177.584 0.036 0.000 1.341 348 A CA 0.103 52.166 52.037 0.044 0.000 0.706 348 A CB -2.022 17.009 19.000 0.052 0.000 1.189 348 A HN 0.603 8.753 8.150 0.000 0.000 0.259 349 G N 0.662 109.483 108.800 0.036 0.000 2.771 349 G HA2 0.514 4.476 3.960 0.003 0.000 0.242 349 G HA3 0.514 4.476 3.960 0.003 0.000 0.242 349 G C 1.350 176.269 174.900 0.032 0.000 1.233 349 G CA 0.277 45.397 45.100 0.034 0.000 0.858 349 G HN 2.267 10.557 8.290 0.000 0.000 0.591 350 A N 0.510 123.348 122.820 0.029 0.000 2.067 350 A HA 0.220 4.542 4.320 0.003 0.000 0.219 350 A C 2.646 180.248 177.584 0.029 0.000 1.158 350 A CA 2.154 54.207 52.037 0.027 0.000 0.661 350 A CB -0.458 18.556 19.000 0.023 0.000 0.801 350 A HN 1.306 9.456 8.150 0.000 0.000 0.452 351 A N -0.308 122.531 122.820 0.033 0.000 2.014 351 A HA 0.307 4.629 4.320 0.003 0.000 0.218 351 A C 2.270 179.874 177.584 0.034 0.000 1.163 351 A CA 1.435 53.493 52.037 0.035 0.000 0.652 351 A CB -0.635 18.390 19.000 0.042 0.000 0.808 351 A HN 0.967 9.117 8.150 0.000 0.000 0.449 352 A N -1.089 121.751 122.820 0.033 0.000 2.206 352 A HA 0.123 4.445 4.320 0.003 0.000 0.211 352 A C 2.103 179.702 177.584 0.024 0.000 1.158 352 A CA 1.562 53.615 52.037 0.027 0.000 0.761 352 A CB -0.379 18.639 19.000 0.029 0.000 0.801 352 A HN 0.488 8.638 8.150 0.000 0.000 0.473 353 S N -0.676 115.042 115.700 0.029 0.000 2.512 353 S HA 0.116 4.588 4.470 0.003 0.000 0.216 353 S C 0.333 174.953 174.600 0.033 0.000 1.006 353 S CA -0.367 57.852 58.200 0.031 0.000 0.915 353 S CB -0.093 63.125 63.200 0.031 0.000 0.824 353 S HN 0.618 8.928 8.310 0.000 0.000 0.497 354 E N 2.324 122.544 120.200 0.034 0.000 2.316 354 E HA 0.151 4.503 4.350 0.003 0.000 0.275 354 E C -0.325 176.306 176.600 0.052 0.000 1.029 354 E CA -0.189 56.236 56.400 0.041 0.000 0.871 354 E CB 1.032 30.755 29.700 0.038 0.000 1.022 354 E HN 0.225 8.585 8.360 0.000 0.000 0.418 355 S N 3.144 118.888 115.700 0.072 0.000 2.546 355 S HA -0.002 4.470 4.470 0.003 0.000 0.290 355 S C 0.588 175.255 174.600 0.112 0.000 1.290 355 S CA -0.250 58.016 58.200 0.110 0.000 1.069 355 S CB 0.201 63.501 63.200 0.166 0.000 0.846 355 S HN 0.474 8.784 8.310 0.000 0.000 0.495 356 L N 5.210 126.498 121.223 0.108 0.000 2.818 356 L HA 0.368 4.710 4.340 0.003 0.000 0.243 356 L C 0.228 177.145 176.870 0.078 0.000 1.185 356 L CA -0.379 54.502 54.840 0.070 0.000 0.988 356 L CB -0.205 41.871 42.059 0.028 0.000 1.292 356 L HN 0.644 8.873 8.230 0.000 0.000 0.519 357 F N 2.072 122.011 119.950 -0.018 0.000 2.484 357 F HA 0.394 4.931 4.527 0.017 0.000 0.360 357 F C 0.029 175.750 175.800 -0.132 0.000 1.101 357 F CA -0.094 57.849 58.000 -0.096 0.000 1.251 357 F CB 0.494 39.378 39.000 -0.194 0.000 1.132 357 F HN -0.154 8.146 8.300 0.000 0.000 0.570 358 I N 5.704 125.641 120.570 -1.055 0.000 2.468 358 I HA 0.118 4.290 4.170 0.003 0.000 0.285 358 I C -0.192 175.199 176.117 -1.210 0.000 1.039 358 I CA -0.808 60.007 61.300 -0.807 0.000 1.074 358 I CB 1.682 39.453 38.000 -0.382 0.000 1.228 358 I HN 0.564 8.774 8.210 0.000 0.000 0.436 359 S N 5.293 120.409 115.700 -0.973 0.000 2.558 359 S HA -0.055 4.416 4.470 0.003 0.000 0.293 359 S C 0.469 174.573 174.600 -0.827 0.000 1.292 359 S CA -0.149 57.630 58.200 -0.701 0.000 1.063 359 S CB 0.194 63.228 63.200 -0.278 0.000 0.831 359 S HN 0.678 8.988 8.310 0.000 0.000 0.499 360 N N 4.443 122.856 118.700 -0.478 0.000 2.423 360 N HA -0.036 4.705 4.740 0.003 0.000 0.275 360 N C -0.176 175.145 175.510 -0.314 0.000 1.283 360 N CA 0.239 53.081 53.050 -0.347 0.000 0.932 360 N CB -0.050 38.347 38.487 -0.150 0.000 1.185 360 N HN 0.629 9.009 8.380 0.000 0.000 0.483 361 H N 0.000 119.025 119.070 -0.074 0.000 2.539 361 H HA 0.000 4.552 4.556 -0.007 0.000 0.296 361 H CA 0.000 56.017 56.048 -0.051 0.000 1.023 361 H CB 0.000 29.727 29.762 -0.059 0.000 1.292 361 H HN 0.000 8.280 8.280 0.000 0.000 0.496