NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3945 8.1693 120.6624 55.0851 43.2237 175.0929 6 T 4.6924 7.8767 108.3197 59.3412 71.1982 171.8543 7 E 4.1660 9.7537 123.8016 59.3090 30.7241 178.0888 8 T 5.1086 7.7299 114.9630 62.0578 72.1981 173.3250 9 M 4.9234 9.1578 126.4370 52.8288 35.3289 173.7036 10 P 5.1154 0.0000 0.0000 62.3605 33.3229 175.0779 11 F 5.1305 8.5811 115.0547 55.5908 41.6421 173.3766 12 R 5.2699 8.7217 118.2252 54.9935 33.0998 174.9402 13 M 5.0695 9.0209 120.8040 54.4059 36.2312 173.6094 14 T 5.1517 8.5246 114.1330 60.2209 72.2067 172.7536 15 M 4.9927 9.0972 123.4926 53.9830 35.9200 173.4346 16 E 4.8631 8.5819 122.7383 54.9213 33.2643 174.4194 17 G 3.7711 7.5739 107.3918 46.0275 0.0000 171.9194 18 T 5.3450 8.2755 115.5957 61.6894 72.1275 174.2103 19 V 4.1402 8.7971 125.6624 61.9577 33.6229 175.0360 20 N 4.1898 9.9616 125.1953 54.2725 36.0487 175.4531 21 G 3.8045 8.4523 105.4144 45.5090 0.0000 173.7387 22 H 4.7121 8.1374 118.4819 55.0487 28.9439 174.0753 23 H 5.3078 8.7317 122.4432 55.4572 30.4237 174.4428 24 F 5.1970 8.6821 115.8803 56.0084 41.8939 173.0614 25 K 5.2251 9.2580 118.0876 55.1024 36.5071 175.3892 26 C 5.6504 9.6257 120.7412 58.2939 32.8327 173.1119 27 T 5.2038 8.8593 110.9693 60.1403 72.1428 172.9903 28 G 4.6756 9.0874 108.6037 44.8135 0.0000 171.6176 29 K 4.9517 9.0561 123.4249 54.9231 36.1449 175.5127 30 G 3.7576 8.0305 113.1126 46.1456 0.0000 171.1904 31 E 5.0901 8.4468 115.9274 55.8080 33.3454 174.4804 32 G 4.3774 9.0103 107.2393 45.8909 0.0000 171.2804 33 N 5.4590 8.8356 119.0755 50.7649 38.9397 173.9267 34 P 4.1067 0.0000 0.0000 65.3164 31.5902 178.1628 35 F 4.5884 7.8362 114.9697 59.1949 39.3101 176.2953 36 E 4.2744 8.5636 118.0572 56.0939 29.8570 176.5243 37 G 3.9039 8.1581 106.9939 46.5459 0.0000 173.3213 38 T 4.9182 7.5398 108.4589 59.7863 72.0463 172.4813 39 Q 5.1533 8.3122 119.0414 55.7410 31.5276 172.9654 40 D 5.1796 9.2068 119.7617 53.0829 45.2864 174.4997 41 M 5.2273 8.6558 117.6951 54.0033 34.9300 173.8323 42 K 4.6764 9.2621 119.2942 54.6796 35.1563 175.3002 43 I 5.0254 8.3418 124.6544 59.3988 40.2420 174.3490 44 E 4.5850 8.9073 127.2684 54.2038 32.4395 174.9129 45 V 4.5015 8.4843 127.3685 62.6953 31.2633 175.1910 46 I 4.3227 8.6537 122.5484 61.8688 39.0537 175.9640 47 E 4.5685 7.8667 121.4769 55.2602 33.8548 176.2986 48 G 3.8638 8.5717 110.1050 46.8064 0.0000 173.5963 49 G 4.0128 7.7431 107.7832 42.7162 0.0000 172.3754 50 P 4.2938 0.0000 0.0000 61.8054 31.9458 176.4310 51 L 3.5914 8.3418 121.3028 55.1462 41.7200 175.0384 52 P 4.6502 0.0000 0.0000 62.2622 31.4367 175.1489 53 F 4.8221 6.7957 111.7139 55.4812 40.6561 173.5396 54 A 4.0726 8.6988 124.4590 52.1881 18.6605 178.5823 55 F 4.0434 8.9797 125.2918 61.2731 39.4814 176.5909 56 D 4.5827 8.4744 118.6069 57.5655 40.3701 178.4803 57 I 3.9043 7.4689 111.5454 62.6156 37.9515 177.0569 58 L 4.3429 7.8296 120.5025 54.9505 42.0608 178.3620 59 S 4.0760 7.4781 116.1378 61.8649 62.8510 176.2918 60 T 4.1997 7.7916 106.5628 62.8816 68.7489 174.7832 61 S 4.5842 7.7778 117.4675 58.8395 63.9640 173.9551 62 C 4.3590 7.7391 123.0592 59.9446 27.9201 173.3161 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 5 L 8.17 4.39 0.00 1.43 1.63 0.76 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.88 4.69 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 1.27 0.00 0.00 7 E 9.75 4.17 0.00 2.18 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 2.49 2.59 0.00 8 T 7.73 5.11 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 9 M 9.16 4.92 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.77 0.00 10 P 0.00 5.12 0.00 2.01 1.98 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 11 F 8.58 5.13 0.00 3.09 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 12 R 8.72 5.27 0.00 1.73 1.89 0.00 3.20 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 13 M 9.02 5.07 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 14 T 8.52 5.15 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 M 9.10 4.99 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 16 E 8.58 4.86 0.00 1.79 1.76 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 2.10 2.19 0.00 17 G 7.57 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 5.34 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 1.14 0.00 0.00 19 V 8.80 4.14 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 0.43 0.00 0.00 0.71 0.00 0.00 20 N 9.96 4.19 0.00 2.85 2.85 0.00 0.00 7.31 7.65 0.00 0.00 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 8.45 3.80 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 0.00 0.00 0.00 22 H 8.14 4.71 0.00 3.55 3.46 0.00 5.61 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.73 5.31 0.00 3.15 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.68 5.20 0.00 3.34 3.22 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 0.00 25 K 9.26 5.23 0.00 1.74 1.71 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.29 1.50 7.81 26 C 9.63 5.65 0.00 2.98 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 27 T 8.86 5.20 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 1.25 0.00 0.00 28 G 9.09 4.68 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 29 K 9.06 4.95 0.00 1.75 1.52 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.31 7.81 30 G 8.03 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 0.00 0.00 0.00 31 E 8.45 5.09 0.00 2.11 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 2.11 2.23 0.00 32 G 9.01 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 0.00 0.00 0.00 0.00 33 N 8.84 5.46 0.00 2.81 2.76 0.00 0.00 7.14 7.86 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 34 P 0.00 4.11 0.00 1.10 1.71 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 35 F 7.84 4.59 0.00 3.07 3.07 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 36 E 8.56 4.27 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 37 G 8.16 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 T 7.54 4.92 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 39 Q 8.31 5.15 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 40 D 9.21 5.18 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.66 5.23 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.74 0.00 42 K 9.26 4.68 0.00 1.61 1.69 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.34 7.81 43 I 8.34 5.03 1.79 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.62 1.19 0.00 0.00 44 E 8.91 4.58 0.00 2.01 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 45 V 8.48 4.50 2.06 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 0.93 0.00 0.00 0.91 0.00 0.00 46 I 8.65 4.32 1.90 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 1.36 0.82 0.94 0.00 0.00 47 E 7.87 4.57 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 48 G 8.57 3.86 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 0.00 0.00 0.00 49 G 7.74 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 0.00 0.00 0.00 50 P 0.00 4.29 0.00 2.12 2.01 0.00 3.78 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 1.95 1.95 0.00 51 L 8.34 3.59 0.00 1.33 1.13 0.54 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.65 0.00 1.99 2.01 0.00 3.36 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 53 F 6.80 4.82 0.00 3.05 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 54 A 8.70 4.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.98 4.04 0.00 3.04 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 56 D 8.47 4.58 0.00 2.76 2.76 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 57 I 7.47 3.90 1.81 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.50 0.90 0.00 0.00 58 L 7.83 4.34 0.00 0.74 1.39 0.70 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.48 4.08 0.00 3.99 3.94 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 60 T 7.79 4.20 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 1.19 0.00 0.00 61 S 7.78 4.58 0.00 4.02 3.94 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 62 C 7.74 4.36 0.00 3.17 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