NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2157 8.2601 123.5849 51.9518 19.5802 175.9682 2 A 4.2149 8.5672 126.9720 50.4455 19.5316 175.3635 3 C 4.6008 9.5904 125.3578 56.1408 43.8361 171.0319 4 Y 4.6269 8.4299 124.8420 55.9422 40.8706 177.0210 5 S 4.0804 8.5177 119.6084 61.3709 63.3526 176.9608 6 S 4.1250 8.0782 118.7039 61.3650 62.7147 175.8679 7 D 4.2596 8.0892 120.3160 57.3108 41.1602 178.2589 8 C 4.0808 8.4802 119.5085 59.8690 41.8164 175.4592 9 R 3.6613 7.9153 119.9282 59.5466 29.5995 178.4583 10 V 3.4934 7.6491 117.6030 66.1261 31.4837 178.1903 11 K 4.0826 8.2512 118.0561 59.3388 31.9255 178.7605 12 C 4.4502 8.1608 117.0955 59.8176 40.0403 176.1122 13 V 3.8387 8.7209 120.6448 65.4321 31.1505 177.5882 14 A 4.2604 8.0131 119.5569 54.4089 18.3903 178.3784 15 M 4.4845 7.7466 115.1371 54.5985 33.6126 175.9341 16 G 3.4253 8.7728 105.9620 45.4737 0.0000 172.3964 17 F 4.8481 8.2297 117.6776 56.4888 43.8422 175.7979 18 S 4.6303 8.7409 114.8911 58.2101 62.6028 173.7051 19 S 4.6772 7.4128 113.7391 60.5587 67.0415 175.5279 20 G 3.9954 7.1857 104.9868 46.3012 0.0000 172.9908 21 K 4.6907 8.7192 119.5547 55.8656 36.5669 173.6263 22 C 5.2245 8.5573 116.0159 55.5830 43.1599 174.3488 23 I 4.2030 8.2118 127.5192 60.4234 37.6471 175.8056 24 N 4.3352 8.6329 113.8255 56.0992 38.4463 175.5131 25 S 4.8442 7.3011 108.1857 57.3217 64.2773 175.9741 26 K 4.6029 7.5001 117.8400 54.2778 36.0783 176.4475 27 C 4.9768 8.9720 126.0365 56.4551 41.7080 172.3965 28 K 4.7650 9.1101 127.0646 54.8522 35.1534 173.9456 29 C 4.9346 8.5300 122.4049 55.2095 36.4818 174.0133 30 Y 4.5936 8.9051 122.3678 56.0832 35.7805 176.3649 31 K 4.4176 8.2015 121.8304 57.1541 32.2101 177.1626 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 A 8.26 4.22 1.29 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 0.00 0.00 2 A 8.57 4.21 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.59 4.60 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.43 4.63 0.00 3.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.52 4.08 0.00 3.98 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.08 4.13 0.00 4.04 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 7 D 8.09 4.26 0.00 2.74 2.68 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 8 C 8.48 4.08 0.00 3.05 3.21 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 0.00 9 R 7.92 3.66 0.00 1.99 2.05 0.00 3.08 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 10 V 7.65 3.49 2.22 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 0.93 0.00 0.00 0.95 0.00 0.00 11 K 8.25 4.08 0.00 2.01 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.58 7.81 12 C 8.16 4.45 0.00 3.12 3.12 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 13 V 8.72 3.84 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.99 0.00 0.00 14 A 8.01 4.26 1.40 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 0.00 0.00 0.00 15 M 7.75 4.48 0.00 2.31 2.52 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.63 0.00 16 G 8.77 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.23 4.85 0.00 3.12 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.74 4.63 0.00 4.13 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.41 4.68 0.00 4.06 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 20 G 7.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.72 4.69 0.00 1.78 1.95 0.00 1.40 0.00 0.00 1.92 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.51 7.81 22 C 8.56 5.22 0.00 2.77 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 23 I 8.21 4.20 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.67 0.98 0.00 0.00 24 N 8.63 4.34 0.00 2.74 2.91 0.00 0.00 6.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.30 4.84 0.00 3.76 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.50 4.60 0.00 1.68 1.62 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.42 7.81 27 C 8.97 4.98 0.00 2.96 2.96 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 28 K 9.11 4.76 0.00 1.83 1.65 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.38 7.81 29 C 8.53 4.93 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.91 4.59 0.00 2.96 2.90 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 31 K 8.20 4.42 0.00 1.87 1.92 0.00 1.97 0.00 0.00 2.14 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 2.04 1.69 7.81