NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 C 4.5846 8.1914 118.3205 59.5316 32.2097 173.8224 7 G 3.8447 8.8096 114.2186 46.8992 0.0000 170.2019 8 K 4.9967 8.9427 121.5726 53.8916 35.4107 174.2436 9 C 4.4247 8.3678 123.6151 58.0871 33.1797 172.3614 10 W 3.7727 7.9502 130.6610 56.8674 31.4852 175.5084 11 K 4.1236 8.2252 127.1572 56.7899 29.7817 176.9720 12 T 4.3264 7.0772 111.6790 59.4232 69.3412 175.5412 13 F 4.4240 8.2586 132.8676 57.4167 37.3604 176.3245 14 T 4.4372 7.5759 117.9748 62.7217 69.9273 175.9408 15 D 4.8451 8.6703 126.3041 54.1466 41.6547 175.1862 16 E 4.8605 8.5318 119.1450 55.1603 34.7479 174.1461 17 Q 4.6372 8.3483 117.1939 54.2957 32.1548 176.7054 18 L 4.0962 8.3549 117.6978 55.9589 41.4188 178.1865 19 K 4.3538 7.6325 119.1568 56.2928 32.0797 178.6179 20 V 4.0922 7.3298 111.8073 60.7091 30.9759 177.2619 21 L 4.7267 7.4917 118.7636 52.4588 44.3553 175.3309 22 P 4.5264 0.0000 0.0000 63.8596 32.4674 176.3867 23 G 3.8537 7.9031 106.9544 45.6471 0.0000 172.5271 24 V 4.4033 8.0368 116.5388 61.9092 33.0934 177.4617 25 R 4.9475 7.4163 123.0339 56.9699 29.6895 176.9519 26 C 4.4761 8.5267 124.2105 58.6294 31.5631 171.5264 27 P 4.4868 0.0000 0.0000 62.7795 31.6854 173.8873 28 Y 3.5860 8.0501 122.3315 58.8279 36.8207 169.7419 29 C 3.8768 8.0818 113.8943 60.4597 28.6343 175.6520 30 G 3.4709 8.7705 113.5695 47.3356 0.0000 172.9521 31 Y 3.9206 7.3050 121.4935 58.3575 38.9381 175.9429 32 K 4.7754 8.8033 125.2123 56.4916 32.7082 177.2486 33 I 3.6802 8.4881 122.4518 63.7433 37.4498 177.7210 34 I 3.6518 7.0218 115.6699 60.2238 36.3911 173.0802 35 F 5.1870 7.5345 124.6687 54.9475 41.4121 173.9532 36 M 4.6115 9.1171 120.8185 56.2739 32.4432 175.8056 37 V 4.5166 7.6423 121.1284 58.9960 34.9809 174.9596 38 R 3.6397 8.6435 119.9613 56.2243 29.6930 175.4546 39 K 3.9383 8.6906 127.0738 56.1949 32.5208 175.8675 40 P 4.6434 0.0000 0.0000 62.4178 29.3023 175.1583 41 T 4.6090 7.3079 119.1357 61.9487 72.5216 173.8602 42 I 3.9343 8.2183 123.4905 60.5389 37.9791 175.2084 43 K 4.4776 8.5074 127.5591 54.5563 33.9947 175.7463 44 I 4.1302 8.3389 125.3865 60.0886 37.5975 175.1786 45 V 4.3014 8.1338 125.8410 60.4640 32.9763 175.2205 46 K 4.1294 8.5527 126.6309 56.7262 33.3469 177.6374 47 A 4.3762 8.3056 126.9901 50.6527 17.3951 177.1531 48 I 4.0752 7.6977 121.5876 60.9485 37.5570 175.9558 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 6 C 8.19 4.58 0.00 2.93 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.81 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.94 5.00 0.00 1.86 1.78 0.00 1.91 0.00 0.00 2.01 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.30 7.81 9 C 8.37 4.42 0.00 3.17 3.05 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 10 W 7.95 3.77 0.00 2.08 1.74 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 11 K 8.23 4.12 0.00 2.03 2.03 0.00 1.93 0.00 0.00 2.00 0.00 0.00 3.70 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.83 1.74 7.81 12 T 7.08 4.33 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 13 F 8.26 4.42 0.00 3.01 2.99 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 14 T 7.58 4.44 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 15 D 8.67 4.85 0.00 2.57 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.53 4.86 0.00 1.87 1.83 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 2.30 2.50 0.00 17 Q 8.35 4.64 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.10 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 18 L 8.35 4.10 0.00 1.66 1.70 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.63 4.35 0.00 1.77 1.80 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.41 7.81 20 V 7.33 4.09 2.09 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 0.80 0.00 0.00 0.94 0.00 0.00 21 L 7.49 4.73 0.00 1.58 1.55 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.53 0.00 2.16 2.15 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 23 G 7.90 3.85 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 0.00 0.00 0.00 24 V 8.04 4.40 2.09 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 0.79 0.00 0.00 0.95 0.00 0.00 25 R 7.42 4.95 0.00 1.81 1.50 0.00 3.23 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 26 C 8.53 4.48 0.00 3.20 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.49 0.00 2.33 2.14 0.00 4.07 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 28 Y 8.05 3.59 0.00 3.14 3.05 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 29 C 8.08 3.88 0.00 3.08 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 30 G 8.77 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.31 3.92 0.00 3.07 2.85 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 32 K 8.80 4.78 0.00 1.80 1.81 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.61 7.81 33 I 8.49 3.68 1.45 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 1.55 0.60 0.81 0.00 0.00 34 I 7.02 3.65 1.83 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 1.05 1.27 0.92 0.00 0.00 35 F 7.53 5.19 0.00 3.04 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 36 M 9.12 4.61 0.00 1.98 2.13 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 2.67 2.61 0.00 37 V 7.64 4.52 2.18 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 0.74 0.00 0.00 0.97 0.00 0.00 38 R 8.64 3.64 0.00 1.78 1.96 0.00 3.24 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 39 K 8.69 3.94 0.00 1.76 1.74 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.45 7.81 40 P 0.00 4.64 0.00 2.22 2.08 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 41 T 7.31 4.61 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 42 I 8.22 3.93 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 1.41 0.74 0.91 0.00 0.00 43 K 8.51 4.48 0.00 1.74 1.69 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.41 7.81 44 I 8.34 4.13 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 1.30 0.50 0.91 0.00 0.00 45 V 8.13 4.30 2.07 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 0.84 0.00 0.00 0.92 0.00 0.00 46 K 8.55 4.13 0.00 1.90 1.80 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.37 7.81 47 A 8.31 4.38 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.70 4.08 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 1.27 0.96 0.91 0.00 0.00