NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4031 8.1576 122.0508 56.4009 33.9661 174.1487 2 S 4.7410 8.5149 121.1047 56.9386 64.8984 172.7728 3 C 4.9467 9.6229 120.6110 55.6014 41.6225 173.5773 4 C 5.6662 9.1197 121.4782 54.5244 42.8951 173.5260 5 P 4.0664 0.0000 0.0000 64.3225 31.8529 175.6398 6 N 4.5211 7.3495 115.7805 51.4826 40.6379 175.1389 7 T 3.8962 8.1873 116.7394 66.8943 68.4166 176.8366 8 T 3.9735 8.0422 117.4247 66.7035 68.4549 176.5389 9 G 3.7078 8.6942 107.7208 47.9687 0.0000 175.6904 10 R 3.9671 7.9399 121.1514 59.0749 30.0608 178.2736 11 N 4.3571 8.5002 116.5826 56.5905 38.5368 177.5270 12 I 3.7645 7.8907 121.1225 64.2551 37.1703 177.7343 13 Y 4.0247 8.2895 120.6043 60.9382 38.7073 178.1668 14 N 4.3313 8.7672 117.4312 56.2190 38.4375 177.3091 15 A 3.9531 7.9235 121.1176 55.2728 18.7335 178.4251 16 C 4.2484 8.4371 117.3679 60.0435 44.8765 176.1529 17 R 3.6472 7.8471 119.3990 58.8363 29.3727 178.6904 18 L 4.1285 7.5210 117.6634 56.8374 41.7407 178.5910 19 T 4.1579 7.3741 108.4083 62.5291 69.0897 175.3855 20 G 3.8943 7.9944 109.9650 45.1079 0.0000 173.6055 21 A 4.3400 7.0041 121.7919 50.4300 19.7484 176.6569 22 P 4.4227 0.0000 0.0000 62.2742 33.3080 178.0903 23 R 4.0089 8.5998 120.4605 59.3022 30.1445 177.7351 24 P 4.3283 0.0000 0.0000 65.7222 31.4094 178.8429 25 T 3.9111 7.8442 114.3031 66.9130 68.0079 177.2962 26 C 4.3305 8.3862 118.2224 59.5148 39.3890 175.8431 27 A 4.1851 8.5874 123.0287 55.2736 17.8194 179.3918 28 K 3.8593 7.9042 116.4683 59.9274 32.3250 178.7205 29 L 4.1885 7.8930 117.8142 56.7030 41.6544 178.4597 30 S 4.7616 7.9994 111.3037 57.3674 64.1140 175.7704 31 G 4.0213 8.1846 110.2856 45.5961 0.0000 172.7353 32 C 4.9631 7.7104 116.6962 56.3074 42.5448 172.9851 33 K 4.6990 9.2427 119.0694 54.7268 35.6304 175.5323 34 I 4.8651 8.2602 123.9355 59.8603 38.3700 175.2619 35 I 4.5112 8.4490 121.4216 59.3113 39.4322 175.9314 36 S 4.3478 8.6358 116.8879 59.7945 63.8111 174.7855 37 G 3.9044 7.8062 109.2941 45.0223 0.0000 172.6675 38 S 4.6189 8.4899 111.8381 57.9308 64.0539 173.8732 39 T 4.5514 7.5456 111.3299 59.6825 70.5529 174.5224 40 C 4.4588 8.7213 124.2116 55.7795 39.8438 171.8311 41 P 4.6096 0.0000 0.0000 62.3844 31.6212 177.5727 42 S 4.1884 8.6123 113.9050 60.8716 62.9955 174.6920 43 D 4.6252 8.0918 118.1168 53.5127 40.2209 175.8454 44 Y 4.6487 7.7496 116.4937 56.4082 37.9846 173.7574 45 P 4.5896 0.0000 0.0000 62.9659 33.0878 176.9379 46 K 4.1582 8.5039 125.3325 56.7536 32.1117 176.1889 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 K 8.16 4.40 0.00 1.85 1.82 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.42 7.81 2 S 8.51 4.74 0.00 3.04 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 C 9.62 4.95 0.00 2.78 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 9.12 5.67 0.00 2.84 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.07 0.00 1.91 1.41 0.00 3.83 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.02 0.00 6 N 7.35 4.52 0.00 2.92 2.87 0.00 0.00 6.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.19 3.90 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 8 T 8.04 3.97 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 9 G 8.69 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.94 3.97 0.00 1.99 2.11 0.00 3.22 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 11 N 8.50 4.36 0.00 3.02 2.88 0.00 0.00 7.05 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.89 3.76 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.84 0.94 0.00 0.00 13 Y 8.29 4.02 0.00 3.09 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.77 4.33 0.00 2.99 2.88 0.00 0.00 6.98 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.92 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.44 4.25 0.00 2.96 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.85 3.65 0.00 1.68 1.82 0.00 3.30 0.00 0.00 2.90 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.26 0.00 18 L 7.52 4.13 0.00 1.79 1.70 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.37 4.16 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 20 G 7.99 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.00 4.34 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.42 0.00 2.17 1.98 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 23 R 8.60 4.01 0.00 1.92 2.15 0.00 3.18 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 24 P 0.00 4.33 0.00 2.17 2.11 0.00 3.55 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 25 T 7.84 3.91 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 26 C 8.39 4.33 0.00 2.87 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.59 4.19 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.90 3.86 0.00 1.96 2.05 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 29 L 7.89 4.19 0.00 1.92 1.74 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.00 4.76 0.00 4.40 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.18 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 7.71 4.96 0.00 2.76 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 9.24 4.70 0.00 1.09 1.36 0.00 0.79 0.00 0.00 1.30 0.00 0.00 2.63 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.12 0.95 7.81 34 I 8.26 4.87 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.87 0.91 0.00 0.00 35 I 8.45 4.51 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.58 0.82 0.00 0.00 36 S 8.64 4.35 0.00 3.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.81 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.49 4.62 0.00 3.96 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.55 4.55 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 40 C 8.72 4.46 0.00 3.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.61 0.00 2.53 2.21 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.91 0.00 42 S 8.61 4.19 0.00 4.01 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.09 4.63 0.00 2.67 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.75 4.65 0.00 2.90 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.59 0.00 2.16 2.15 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 46 K 8.50 4.16 0.00 1.82 1.73 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.47 7.81