NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3980 8.1576 122.0496 56.3542 33.8884 174.3187 2 S 4.6878 8.5603 122.2763 57.4356 64.5045 172.8318 3 C 5.1344 10.0044 121.2544 55.5313 45.9383 173.6127 4 C 5.6086 9.1120 120.6247 54.3507 43.0968 173.7310 5 P 3.7728 0.0000 0.0000 65.4356 31.4659 175.9457 6 N 4.6626 7.4637 115.1039 51.2538 40.8030 175.2175 7 T 3.9157 8.2704 116.5985 67.0121 68.3394 177.1066 8 T 3.9807 8.0256 117.4396 66.4482 68.4550 176.6683 9 G 3.6840 8.8007 108.0991 47.8410 0.0000 175.4922 10 R 3.9641 8.0370 121.2789 59.4245 30.0875 178.3373 11 D 4.4380 8.4633 118.8129 57.3232 40.7118 178.8496 12 I 3.7118 8.1276 120.6209 64.4745 37.0702 177.6544 13 Y 4.0102 8.3168 120.5993 60.9228 38.6238 177.8139 14 N 4.3024 8.7744 118.2133 57.0174 39.0382 176.9939 15 T 3.8807 8.0818 117.2128 66.6358 68.5214 175.8788 16 C 4.1728 8.4422 120.8265 59.7416 44.6511 175.9613 17 R 3.6867 7.9942 119.8605 59.2035 29.4166 178.9186 18 L 4.0832 8.1201 118.1880 57.6743 41.7079 179.2324 19 G 3.8221 7.7841 103.3149 44.8347 0.0000 174.1375 20 G 4.0871 7.7586 108.5399 45.1358 0.0000 174.6763 21 G 3.7353 7.9075 109.0224 44.7701 0.0000 174.7552 22 S 4.3725 8.2395 115.6313 57.6239 65.2318 175.6725 23 R 3.9696 8.4186 122.1190 59.7542 29.9884 179.3040 24 E 4.0340 8.1402 117.8416 59.2059 29.4476 179.2532 25 R 3.8980 7.8571 118.5234 59.7345 29.7829 177.9657 26 C 4.2374 8.5747 116.4964 59.8209 34.3090 175.9753 27 A 4.1959 8.6454 122.8178 55.4601 17.7997 179.8321 28 S 4.1398 7.9909 112.3433 61.8155 63.0195 176.7672 29 L 4.2117 8.2260 120.4679 56.4834 41.4359 178.3706 30 S 4.7544 7.7677 111.5986 57.3029 64.4993 175.2305 31 G 3.9644 8.0238 109.6714 45.5302 0.0000 172.8134 32 C 4.8524 7.6743 116.7887 56.3991 39.1855 173.0615 33 K 4.6746 8.9070 119.5702 54.7116 35.3625 175.4352 34 I 4.8257 8.2252 124.3051 59.9452 38.3339 174.9181 35 I 4.6979 8.6651 120.7952 59.1227 40.4237 175.5697 36 S 4.4418 8.7386 114.6350 58.2886 63.7479 173.9561 37 A 4.6291 7.6115 123.9832 50.8861 20.3302 177.1141 38 S 4.4596 8.4797 113.6814 58.9657 63.9438 174.3035 39 T 4.6190 7.5313 111.2053 59.9257 70.8507 174.3004 40 C 4.6285 8.5370 122.0984 55.4599 40.8156 171.8565 41 P 4.6792 0.0000 0.0000 62.0993 31.8930 177.5567 42 S 4.1863 8.6302 114.5475 61.1139 62.8881 174.9845 43 D 4.4577 8.0331 118.3812 54.4211 40.3469 175.7353 44 Y 4.7247 7.7312 116.9089 56.1305 38.0801 173.6185 45 P 4.5858 0.0000 0.0000 63.5930 33.1067 177.1503 46 K 4.1636 8.1797 124.4652 56.6222 32.1023 176.2063 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 1.88 1.78 0.00 1.55 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.46 7.81 2 S 8.56 4.69 0.00 3.08 3.29 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 10.00 5.13 0.00 2.72 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 9.11 5.61 0.00 2.93 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 3.77 0.00 2.06 1.96 0.00 3.88 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 6 N 7.46 4.66 0.00 2.94 2.89 0.00 0.00 6.30 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 8.27 3.92 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 1.26 0.00 0.00 8 T 8.03 3.98 4.38 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 1.23 0.00 0.00 9 G 8.80 3.68 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 8.04 3.96 0.00 1.97 2.16 0.00 3.21 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 11 D 8.46 4.44 0.00 2.89 2.72 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 12 I 8.13 3.71 2.05 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 0.94 0.94 0.00 0.00 13 Y 8.32 4.01 0.00 3.10 3.14 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 4.30 0.00 2.96 2.97 0.00 0.00 7.31 6.95 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 15 T 8.08 3.88 4.39 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 16 C 8.44 4.17 0.00 2.96 3.15 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 7.99 3.69 0.00 1.80 1.82 0.00 3.32 0.00 0.00 2.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.17 0.00 18 L 8.12 4.08 0.00 1.71 1.72 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.78 3.82 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 20 G 7.76 4.09 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 G 7.91 3.74 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 22 S 8.24 4.37 0.00 4.06 3.99 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 23 R 8.42 3.97 0.00 1.93 2.16 0.00 3.17 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 24 E 8.14 4.03 0.00 1.99 2.01 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 2.42 2.32 0.00 25 R 7.86 3.90 0.00 1.89 2.03 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 26 C 8.57 4.24 0.00 2.74 2.71 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 27 A 8.65 4.20 1.53 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 S 7.99 4.14 0.00 4.06 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 29 L 8.23 4.21 0.00 1.76 1.75 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.77 4.75 0.00 4.31 4.12 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 8.02 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 0.00 0.00 0.00 32 C 7.67 4.85 0.00 2.73 2.93 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 8.91 4.67 0.00 1.24 1.40 0.00 1.47 0.00 0.00 1.51 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.67 0.74 7.81 34 I 8.23 4.83 1.97 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 1.40 0.84 0.90 0.00 0.00 35 I 8.67 4.70 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.78 0.00 0.00 36 S 8.74 4.44 0.00 3.98 3.99 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 A 7.61 4.63 1.24 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 0.00 0.00 38 S 8.48 4.46 0.00 3.99 3.99 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 7.53 4.62 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 8.54 4.63 0.00 2.99 3.33 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 41 P 0.00 4.68 0.00 2.51 2.21 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.99 0.00 42 S 8.63 4.19 0.00 3.99 4.05 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 8.03 4.46 0.00 2.61 2.78 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 7.73 4.72 0.00 2.91 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 45 P 0.00 4.59 0.00 2.17 2.31 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 46 K 8.18 4.16 0.00 1.91 1.74 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.49 7.81