NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.6470 8.0327 117.3307 63.4428 70.7095 171.8789 2 K 4.8071 9.0876 126.2658 54.6029 34.6803 172.9431 3 C 5.3310 9.7782 124.2998 54.9956 44.3526 172.8096 4 Y 4.8495 8.8508 119.6133 58.3171 38.6444 176.2495 5 N 5.8819 9.3291 118.0525 51.5818 39.1705 174.2068 6 H 4.5385 8.5127 114.6629 55.6427 29.8279 174.8206 7 Q 4.4734 8.2255 120.7142 56.8462 30.6783 176.6702 8 S 3.3630 8.0600 118.8698 60.2568 63.1485 173.2832 9 T 4.5248 8.4758 116.9527 62.2626 68.4484 174.1168 10 T 4.0830 7.7014 112.0658 61.1980 69.2953 172.1598 11 P 4.3056 0.0000 0.0000 62.2621 31.8624 176.6060 12 E 3.4941 8.5996 122.3532 56.9200 30.0728 176.3662 13 T 4.9987 8.3662 112.2104 60.2066 72.8066 172.4941 14 T 5.2885 8.5037 111.6412 59.9056 72.1237 172.7171 15 E 4.7714 9.0637 119.8505 54.6840 33.4702 174.3191 16 I 4.5314 8.1851 122.2615 60.3870 38.1637 176.7592 17 C 4.3082 8.9047 125.2722 55.9469 40.7917 172.2835 18 P 4.0854 0.0000 0.0000 65.3999 31.2194 175.8531 19 D 4.7101 7.3033 115.5579 51.9679 42.0164 175.8637 20 S 4.2964 8.7114 113.4288 60.8243 62.9334 175.5583 21 G 3.8234 8.6215 109.3852 47.3155 0.0000 173.5954 22 Y 4.4453 7.9582 118.0000 57.9423 39.0337 174.9127 23 F 5.1462 8.5577 116.3339 56.0652 42.0459 172.4413 24 C 5.7036 9.4906 115.6563 56.0171 39.6708 172.9236 25 Y 5.6069 8.8597 118.4171 55.5371 41.9600 173.8968 26 K 4.9431 9.6312 121.6801 54.9716 35.9971 174.7610 27 S 5.2827 9.5739 122.2228 56.5953 65.7367 172.3200 28 S 5.2130 8.6900 121.7843 56.2438 65.1971 172.6304 29 W 5.6630 8.7079 122.6855 55.5478 32.3178 173.0847 30 I 4.6824 8.5690 121.0677 59.6309 38.6417 175.5417 31 D 4.7414 9.4175 127.9921 52.9705 41.7561 177.3170 32 G 3.9913 9.1172 119.3729 45.7649 0.0000 172.3114 33 R 4.4665 8.7873 119.7309 55.1669 33.1053 174.8620 34 E 4.3803 8.2391 121.2658 54.5268 30.9624 175.3187 35 G 3.9259 8.5235 114.8872 46.2220 0.0000 172.7728 36 R 4.4847 8.2655 122.1404 54.1212 35.1518 174.1180 37 I 4.8592 7.7996 120.6611 59.4604 41.1928 174.0917 38 E 5.1359 9.8171 126.9835 54.5932 32.7250 174.8281 39 R 4.5730 8.4570 123.3427 54.1579 34.9692 175.3875 40 G 4.0909 6.7582 108.0564 46.0143 0.0000 171.1868 41 C 5.0992 8.9108 117.3250 56.9747 37.6092 173.1920 42 T 4.4946 8.7984 116.9288 60.9044 70.0216 173.9608 43 F 4.0466 6.9870 119.6045 56.5137 38.5716 175.5715 44 T 4.6806 6.7264 115.6176 60.6439 70.2453 172.2199 45 C 4.5681 9.0461 129.4754 55.4642 44.2734 171.4161 46 P 4.3926 0.0000 0.0000 62.1224 31.6542 175.7880 47 E 3.9169 8.3465 120.6196 56.1500 30.1239 176.3548 48 L 4.2888 8.2690 126.9835 54.0175 42.0985 176.6722 49 T 4.1913 8.1519 116.6473 60.4486 69.7411 173.5432 50 P 4.1856 0.0000 0.0000 65.6682 31.5507 177.1949 51 N 4.7988 8.0904 112.7591 52.7777 39.0494 174.9974 52 G 4.1198 7.9361 108.7263 45.7481 0.0000 173.9910 53 K 4.4875 8.9965 123.4484 58.4907 33.1090 176.5749 54 Y 4.9957 7.2103 115.2176 56.1096 41.2133 173.4724 55 V 5.0938 8.6595 119.6160 61.4520 34.8065 173.8435 56 Y 5.1163 9.7775 128.5977 56.1356 41.7352 173.1596 57 C 5.7240 8.7871 123.6867 55.2939 41.5292 172.2525 58 C 4.7427 9.1582 117.0900 54.3633 44.4144 175.3038 59 R 4.0645 8.5743 119.6794 58.5443 30.7618 177.7806 60 R 4.1835 7.8113 116.5658 55.2681 30.8641 175.3729 61 D 4.7151 8.7413 120.3184 56.2927 41.0679 176.9425 62 K 3.7807 8.8460 123.3079 57.4790 30.1739 174.0188 63 C 4.6897 8.2542 113.0962 56.8691 42.0147 173.4830 64 N 5.1650 8.0173 117.8606 52.6263 37.6558 174.4793 65 Q 3.7015 8.4142 125.3251 57.3775 29.0839 175.4521 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 T 8.03 4.65 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 2 K 9.09 4.81 0.00 1.77 1.56 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.41 7.81 3 C 9.78 5.33 0.00 2.86 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 4 Y 8.85 4.85 0.00 3.10 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 5 N 9.33 5.88 0.00 2.68 2.84 0.00 0.00 6.97 7.44 0.00 0.00 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 H 8.51 4.54 0.00 3.31 3.48 0.00 5.52 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.23 4.47 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 5.72 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 8 S 8.06 3.36 0.00 3.83 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 9 T 8.48 4.52 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 1.17 0.00 0.00 10 T 7.70 4.08 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 1.27 0.00 0.00 11 P 0.00 4.31 0.00 2.06 2.02 0.00 3.69 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 2.02 2.10 0.00 12 E 8.60 3.49 0.00 1.94 1.95 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 1.90 2.16 0.00 13 T 8.37 5.00 4.28 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 1.27 0.00 0.00 14 T 8.50 5.29 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 15 E 9.06 4.77 0.00 1.95 2.02 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 2.17 2.23 0.00 16 I 8.19 4.53 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 0.53 0.92 0.00 0.00 17 C 8.90 4.31 0.00 2.87 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.09 0.00 1.63 1.95 0.00 2.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.75 0.00 19 D 7.30 4.71 0.00 2.92 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.71 4.30 0.00 4.05 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 21 G 8.62 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 22 Y 7.96 4.45 0.00 3.04 2.89 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 23 F 8.56 5.15 0.00 3.22 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 24 C 9.49 5.70 0.00 3.04 3.10 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 25 Y 8.86 5.61 0.00 3.24 3.09 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 26 K 9.63 4.94 0.00 1.93 1.98 0.00 1.88 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.62 1.46 7.81 27 S 9.57 5.28 0.00 4.20 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 5.21 0.00 3.17 2.63 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 0.00 0.00 0.00 0.00 29 W 8.71 5.66 0.00 3.51 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 I 8.57 4.68 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.63 0.91 0.00 0.00 31 D 9.42 4.74 0.00 3.00 2.63 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 0.00 0.00 0.00 0.00 32 G 9.12 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 0.00 0.00 0.00 33 R 8.79 4.47 0.00 1.76 1.91 0.00 3.20 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 34 E 8.24 4.38 0.00 2.03 1.93 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 2.13 2.18 0.00 35 G 8.52 3.93 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 0.00 0.00 0.00 36 R 8.27 4.48 0.00 0.67 0.86 0.00 3.01 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.17 0.00 37 I 7.80 4.86 1.75 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 0.94 0.47 0.89 0.00 0.00 38 E 9.82 5.14 0.00 2.48 2.14 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 2.36 2.41 0.00 39 R 8.46 4.57 0.00 1.73 1.79 0.00 3.09 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 40 G 6.76 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 41 C 8.91 5.10 0.00 3.02 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 42 T 8.80 4.49 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 0.80 0.00 0.00 43 F 6.99 4.05 0.00 2.70 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 0.00 0.00 0.00 0.00 44 T 6.73 4.68 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 45 C 9.05 4.57 0.00 3.11 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 46 P 0.00 4.39 0.00 2.09 1.75 0.00 3.80 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.63 0.00 47 E 8.35 3.92 0.00 1.89 1.84 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 2.27 2.34 0.00 48 L 8.27 4.29 0.00 1.68 1.62 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.15 4.19 4.18 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 1.09 0.00 0.00 50 P 0.00 4.19 0.00 2.06 2.18 0.00 3.64 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 2.02 2.13 0.00 51 N 8.09 4.80 0.00 2.83 2.98 0.00 0.00 7.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.94 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 0.00 0.00 0.00 53 K 9.00 4.49 0.00 1.61 1.96 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.39 7.81 54 Y 7.21 5.00 0.00 3.06 3.06 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 55 V 8.66 5.09 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 0.99 0.00 0.00 1.02 0.00 0.00 56 Y 9.78 5.12 0.00 3.04 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 57 C 8.79 5.72 0.00 2.79 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 58 C 9.16 4.74 0.00 2.76 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.57 4.06 0.00 1.81 2.05 0.00 3.16 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 60 R 7.81 4.18 0.00 1.88 1.87 0.00 3.36 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 61 D 8.74 4.72 0.00 2.64 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 62 K 8.85 3.78 0.00 1.82 1.66 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.86 1.17 7.81 63 C 8.25 4.69 0.00 3.25 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.02 5.17 0.00 3.04 3.03 0.00 0.00 6.03 7.39 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 65 Q 8.41 3.70 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.08 1.62 0.00