NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3190 8.2493 123.5821 52.4892 18.6610 175.4705 2 S 4.3434 7.9776 114.0236 57.6683 65.4622 169.2623 3 V 4.2514 8.5409 121.8894 61.0665 33.9332 175.6808 4 A 4.6677 8.2129 128.4798 50.4732 20.6694 177.1177 5 T 4.2980 8.2072 112.4738 61.4356 70.0118 173.7750 6 E 4.4580 8.3039 118.4241 56.5612 29.7820 176.9361 7 L 4.3601 7.1588 116.3018 55.2637 43.7374 176.1982 8 R 3.9374 7.2054 119.7070 54.6844 30.9892 179.9855 9 C 4.0579 7.8433 118.0489 61.2151 28.1603 172.8299 10 Q 4.6068 8.6134 115.5893 57.9394 34.7695 174.8338 11 C 3.6614 8.0658 110.7570 58.2755 29.4259 173.6430 12 L 4.1603 8.1512 124.3725 55.8416 41.9773 178.4496 13 Q 4.3208 7.9960 115.3714 58.9525 30.7511 176.7343 14 T 3.4824 8.0259 101.9462 62.9465 67.3446 172.0856 15 L 4.3103 9.1645 132.5313 54.8858 42.9250 177.5557 16 Q 4.4786 8.3020 120.3610 55.1524 27.1139 175.1040 17 G 3.7934 7.7602 108.7804 45.6788 0.0000 171.5562 18 I 4.1434 7.6453 118.7500 60.1942 40.0454 175.2178 19 H 4.8610 8.4456 119.5226 54.7051 31.8097 173.3770 20 P 4.8367 0.0000 0.0000 61.1550 30.2822 176.6157 21 K 4.3156 9.0474 120.0842 56.7777 31.5627 175.9754 22 N 4.5043 7.7777 114.2277 55.3282 39.3536 174.0532 23 I 3.9223 7.5874 121.3213 62.1582 36.8950 174.9201 24 Q 4.5407 8.5841 128.6552 56.7571 30.7103 174.6490 25 S 4.7389 7.6419 111.8337 58.5897 66.0657 173.6465 26 V 4.9830 8.0125 117.0578 61.3362 33.7083 172.6050 27 N 5.2283 9.8400 120.2700 51.3999 42.3643 174.0910 28 V 5.3135 8.3463 121.0413 59.0490 33.5926 174.4842 29 K 4.6165 8.6181 125.8043 54.5957 35.3670 174.1288 30 S 4.8858 8.2951 117.5471 55.4968 65.2789 170.7704 31 P 4.6128 0.0000 0.0000 61.9585 32.0911 176.0985 32 G 4.2796 8.3472 117.0578 46.5468 0.0000 175.7776 33 P 4.5536 0.0000 0.0000 61.5759 33.4756 176.8569 34 H 4.3168 8.4329 112.3693 58.8373 28.6846 176.2740 35 C 4.1169 8.4578 114.5875 60.0683 29.6932 173.8590 36 A 3.8657 7.6866 121.6092 52.5646 16.5782 175.2985 37 Q 4.6042 7.4301 119.4429 55.3559 33.1242 175.0345 38 T 4.6432 8.0733 116.7145 64.0331 69.8816 173.2966 39 E 4.6778 8.4262 119.3458 56.2475 34.1281 176.1315 40 V 5.2475 8.0156 115.9032 60.5523 33.6569 172.1408 41 I 4.7228 8.7740 123.1643 59.7774 39.4990 175.6374 42 A 4.8935 9.3548 131.4542 50.9721 20.0068 176.4192 43 T 4.5225 8.6145 120.7537 63.9807 69.6180 175.0845 44 L 4.3768 9.1077 127.0648 54.1624 42.6539 178.2113 45 K 3.8777 8.5458 122.9984 59.6796 32.1121 177.8223 46 N 4.4955 8.0199 112.6562 53.5830 37.2782 174.7995 47 G 3.7807 8.4590 107.3769 46.7411 0.0000 173.2745 48 R 4.9755 7.1588 118.6313 54.4289 33.6310 175.3010 49 K 5.1855 8.3151 116.3308 56.5644 35.3646 175.0298 50 A 4.8029 8.8936 122.5017 50.6753 23.1753 174.4120 51 C 5.9566 8.8713 118.6338 56.9638 34.8707 172.4577 52 L 5.5807 8.1000 122.4679 53.2171 44.1047 176.0432 53 N 4.6902 8.6118 117.2101 51.1127 37.6153 174.3251 54 P 4.2004 0.0000 0.0000 65.3041 31.6674 178.1300 55 A 4.0662 7.9752 121.0814 54.7327 18.7436 178.4391 56 S 4.2955 8.1631 110.5379 57.6787 64.1299 173.2815 57 P 4.2032 0.0000 0.0000 66.1969 31.8044 178.2855 58 I 3.8186 7.7680 120.1702 63.8382 37.0931 178.4626 59 V 3.5907 7.7075 118.3158 65.7823 31.4804 177.6742 60 K 3.9555 8.2053 119.2815 58.8818 31.5215 178.7565 61 K 3.8849 7.9802 120.1787 59.7837 32.2557 178.5149 62 I 3.7059 7.5215 120.0010 64.7715 36.9151 178.3295 63 I 3.7138 7.6356 119.6416 64.4619 37.0933 178.1474 64 E 3.9363 7.9251 118.9295 59.3173 29.0932 179.4611 65 K 3.9275 8.9053 119.3030 59.8057 32.3685 178.3962 66 M 4.1817 7.9353 117.8694 58.4602 31.8961 178.4507 67 L 4.1562 7.9166 118.5801 57.1581 42.0167 177.3063 68 N 4.4963 7.7404 115.4764 53.7616 39.6901 173.7310 69 S 3.8310 9.9815 110.7532 58.0880 59.0296 166.0258 70 D 4.4047 7.4927 119.6575 54.0796 44.5244 173.2600 71 K 3.7585 8.4230 116.4308 57.5969 29.8729 175.6523 72 S 4.3673 7.9258 118.4457 58.8673 62.9141 174.8032 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 8.25 4.32 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 S 7.98 4.34 0.00 4.02 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 4.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 4 A 8.21 4.67 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.21 4.30 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 1.20 0.00 0.00 6 E 8.30 4.46 0.00 1.90 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 2.20 2.23 0.00 7 L 7.16 4.36 0.00 1.55 1.59 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.21 3.94 0.00 2.00 1.98 0.00 3.40 0.00 0.00 3.24 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 9 C 7.84 4.06 0.00 3.08 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 10 Q 8.61 4.61 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 11 C 8.07 3.66 0.00 3.07 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 4.16 0.00 1.66 1.69 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.00 4.32 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.30 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 14 T 8.03 3.48 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 1.26 0.00 0.00 15 L 9.16 4.31 0.00 1.62 1.64 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.30 4.48 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 17 G 7.76 3.79 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 0.00 0.00 0.00 18 I 7.65 4.14 1.89 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 1.33 0.93 0.92 0.00 0.00 19 H 8.45 4.86 0.00 3.12 3.22 0.00 5.92 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.84 0.00 2.14 1.23 0.00 3.80 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 21 K 9.05 4.32 0.00 1.81 2.01 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.52 7.81 22 N 7.78 4.50 0.00 2.78 2.83 0.00 0.00 7.06 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 23 I 7.59 3.92 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.33 0.89 0.00 0.00 24 Q 8.58 4.54 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 25 S 7.64 4.74 0.00 3.88 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 26 V 8.01 4.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.95 0.00 0.00 27 N 9.84 5.23 0.00 2.50 2.70 0.00 0.00 6.78 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 28 V 8.35 5.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.99 0.00 0.00 29 K 8.62 4.62 0.00 1.75 1.71 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.39 7.81 30 S 8.30 4.89 0.00 3.89 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.61 0.00 2.12 2.18 0.00 3.54 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 32 G 8.35 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 0.00 0.00 0.00 0.00 33 P 0.00 4.55 0.00 2.04 2.14 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 34 H 8.43 4.32 0.00 3.34 3.50 0.00 5.55 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.46 4.12 0.00 3.12 3.16 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 0.00 36 A 7.69 3.87 1.37 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 0.00 0.00 37 Q 7.43 4.60 0.00 2.16 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.85 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 38 T 8.07 4.64 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 1.30 0.00 0.00 39 E 8.43 4.68 0.00 1.88 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 2.31 2.28 0.00 40 V 8.02 5.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.98 0.00 0.00 41 I 8.77 4.72 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 1.28 1.28 0.91 0.00 0.00 42 A 9.35 4.89 1.25 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 0.00 0.00 43 T 8.61 4.52 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 1.24 0.00 0.00 44 L 9.11 4.38 0.00 1.48 1.58 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.55 3.88 0.00 1.72 1.85 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 46 N 8.02 4.50 0.00 2.85 2.92 0.00 0.00 6.17 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.46 3.78 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 0.00 0.00 0.00 48 R 7.16 4.98 0.00 1.82 1.87 0.00 3.26 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 49 K 8.32 5.19 0.00 1.69 1.72 0.00 1.41 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.51 7.81 50 A 8.89 4.80 1.21 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 0.00 0.00 51 C 8.87 5.96 0.00 3.08 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 5.58 0.00 1.60 1.63 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.61 4.69 0.00 2.85 2.91 0.00 0.00 6.55 8.04 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 54 P 0.00 4.20 0.00 2.17 2.19 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 55 A 7.98 4.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.16 4.30 0.00 3.95 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.26 2.15 0.00 3.84 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 1.98 2.05 0.00 58 I 7.77 3.82 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 1.53 0.40 0.94 0.00 0.00 59 V 7.71 3.59 2.39 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 0.98 0.00 0.00 1.02 0.00 0.00 60 K 8.21 3.96 0.00 2.12 1.80 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.65 7.81 61 K 7.98 3.88 0.00 1.89 1.79 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 62 I 7.52 3.71 1.93 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 1.52 0.53 0.93 0.00 0.00 63 I 7.64 3.71 2.05 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 1.64 0.53 0.91 0.00 0.00 64 E 7.93 3.94 0.00 2.10 1.99 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 2.33 2.31 0.00 65 K 8.91 3.93 0.00 1.57 1.89 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 66 M 7.94 4.18 0.00 2.03 2.40 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.76 0.00 67 L 7.92 4.16 0.00 1.79 1.73 0.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.74 4.50 0.00 2.84 2.78 0.00 0.00 7.12 7.93 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 69 S 9.98 3.83 0.00 3.99 4.02 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 0.00 0.00 0.00 70 D 7.49 4.40 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.42 3.76 0.00 1.92 1.84 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.44 7.81 72 S 7.93 4.37 0.00 3.90 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00