NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.5230 8.3349 116.8104 58.1405 64.6083 173.1447 8 D 4.7237 8.3985 121.8911 52.8127 42.1426 174.2572 9 F 5.3621 8.6869 115.4723 55.5458 42.0821 173.5904 10 V 4.5740 8.8481 111.8755 59.4988 35.4444 174.9270 11 V 4.8541 8.7289 123.8084 61.2584 34.1122 174.3378 12 I 4.9284 8.9451 128.4418 59.4030 40.5247 174.0878 13 K 4.9757 9.2312 129.0213 54.3124 34.4149 175.0647 14 A 4.4250 8.8416 130.2338 52.1943 19.1452 177.4622 15 L 4.6845 8.9931 122.2689 54.5743 42.6795 175.8810 16 E 4.6686 7.6756 115.5792 54.8791 32.3667 174.3696 17 D 4.4352 8.3891 119.2122 55.4903 41.3321 176.4789 18 G 3.8346 8.5491 108.7776 46.4466 0.0000 174.0981 19 V 3.9245 7.7340 119.7947 62.6127 32.9533 174.3618 20 N 5.3415 9.2197 124.9087 51.4327 41.5050 173.5030 21 V 4.5923 8.6651 124.1723 61.2177 33.8665 174.1826 22 I 4.6877 8.6812 129.4651 59.3439 39.9483 174.8093 23 G 4.2442 8.6760 114.4664 44.8818 0.0000 172.4182 24 L 5.5481 8.8443 125.0886 52.8697 44.2826 176.1859 25 T 4.4979 8.7749 114.3296 61.6885 69.3758 174.3298 26 R 4.2963 7.7912 126.0504 56.6019 30.0340 175.4698 27 G 3.7749 8.7629 109.8131 43.8754 0.0000 173.9001 28 A 4.1642 8.5458 121.7047 54.2091 18.6376 177.7161 29 D 4.9458 7.2572 111.8592 52.9257 42.9668 176.0769 30 T 4.7625 8.3038 118.2799 61.9841 71.0334 173.2890 31 R 4.6806 8.7372 122.1669 54.4881 33.8154 174.0791 32 F 5.2604 8.6441 118.8459 57.9049 39.0235 175.3693 33 H 4.9923 9.1428 118.6400 56.2346 30.4315 174.0088 34 H 4.8275 7.6300 117.6212 55.0069 33.3510 171.9493 35 S 4.8156 8.1333 118.6309 56.4537 64.9578 172.2866 36 E 4.4811 9.1378 129.2834 54.6093 31.1205 174.3944 37 K 4.7429 8.6127 128.6694 55.5556 33.6237 175.3505 38 L 4.9224 9.0778 127.5478 53.1959 44.3320 176.1666 39 D 4.9062 9.1645 123.8052 52.5192 43.2346 175.8560 40 K 4.0135 8.6396 121.5832 58.7683 32.1500 176.9472 41 G 4.0156 9.0594 116.1481 45.0085 0.0000 173.3713 42 E 4.2204 8.2000 119.8407 56.3434 30.7496 176.0548 43 V 4.9285 8.2951 122.1024 60.9880 34.3937 174.2059 44 L 4.7699 8.8755 129.2668 53.2355 44.9205 174.8533 45 I 5.0302 8.4941 126.1890 59.5902 39.4310 174.6861 46 A 4.7047 8.9529 129.0956 50.1283 21.8842 175.3435 47 Q 4.8025 8.6526 121.0782 55.0126 30.4187 175.7639 48 F 4.7201 8.3286 120.0329 57.9878 38.6786 175.2234 49 T 4.6615 8.9224 110.7781 60.4598 71.7803 173.9475 50 E 4.1655 8.9114 121.2630 59.4263 29.7276 177.3809 51 H 4.5092 7.8240 113.1433 56.5564 29.6828 174.3078 52 T 5.0603 8.0668 115.6712 61.9254 71.1261 174.2508 53 S 5.0821 8.7645 120.5246 57.8815 64.6190 173.4179 54 A 4.9928 7.8329 120.8076 51.4079 22.4358 175.5027 55 I 5.0117 8.5588 120.9469 59.3857 40.8311 174.6635 56 K 4.6067 9.0611 128.1608 54.5126 34.8783 174.6512 57 V 4.7733 8.3363 126.0881 61.0398 33.7995 174.3951 58 R 4.4939 8.9606 128.0471 55.3334 32.8350 174.5662 59 G 4.0224 9.0507 111.5709 43.7048 0.0000 172.6887 60 K 4.5082 9.4600 121.0600 56.2135 32.9715 175.6267 61 A 5.1267 8.8244 127.9665 50.8279 23.5555 173.6950 62 Y 4.8507 8.9416 121.3578 56.0847 40.8007 174.5372 63 I 5.0822 8.3888 127.5115 59.5642 40.6451 174.4577 64 Q 5.0837 9.0811 125.6101 54.4257 31.9565 174.9124 65 T 4.7972 8.4670 112.6840 59.6920 72.2914 174.4707 66 R 3.7957 8.5101 120.2074 59.2688 30.0131 176.7650 67 H 4.6788 8.0355 113.0057 55.3124 29.8916 174.3320 68 G 3.7823 7.1383 106.1095 44.2371 0.0000 172.5866 69 V 4.5504 8.0763 121.4744 61.6214 33.2810 176.3643 70 I 4.6401 8.3697 125.6471 59.5297 42.0260 173.1210 71 E 5.1453 8.6143 125.7000 54.5445 32.3915 175.8041 72 S 4.7678 8.7359 118.7806 57.3359 65.7063 172.8044 73 E 4.8977 8.4790 119.6917 54.0071 32.7750 176.2833 74 G 3.8606 8.8868 111.4365 46.1333 0.0000 173.0732 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 7 S 8.33 4.52 0.00 4.00 4.06 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 8 D 8.40 4.72 0.00 2.94 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.69 5.36 0.00 3.06 2.97 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 10 V 8.85 4.57 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 0.53 0.00 0.00 0.82 0.00 0.00 11 V 8.73 4.85 2.17 0.00 0.00 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 1.17 0.00 0.00 12 I 8.95 4.93 1.87 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 1.10 0.55 0.92 0.00 0.00 13 K 9.23 4.98 0.00 1.83 1.75 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.84 4.42 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.99 4.68 0.00 1.57 1.72 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.68 4.67 0.00 2.02 1.89 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 2.19 2.33 0.00 17 D 8.39 4.44 0.00 2.69 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 18 G 8.55 3.83 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 0.00 0.00 0.00 19 V 7.73 3.92 2.19 0.00 0.00 0.00 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 0.99 0.00 0.00 20 N 9.22 5.34 0.00 2.56 2.59 0.00 0.00 6.32 7.23 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 21 V 8.67 4.59 2.04 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 0.93 0.00 0.00 0.90 0.00 0.00 22 I 8.68 4.69 1.36 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.39 -0.24 0.00 0.00 23 G 8.68 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 0.00 0.00 0.00 0.00 24 L 8.84 5.55 0.00 1.88 1.71 1.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.77 4.50 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 1.38 0.00 0.00 26 R 7.79 4.30 0.00 1.91 1.97 0.00 3.26 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.76 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 28 A 8.55 4.16 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 29 D 7.26 4.95 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.30 4.76 4.25 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 1.27 0.00 0.00 31 R 8.74 4.68 0.00 1.84 1.96 0.00 2.80 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 32 F 8.64 5.26 0.00 2.91 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 33 H 9.14 4.99 0.00 3.14 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.63 4.83 0.00 3.31 3.06 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.13 4.82 0.00 3.73 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 9.14 4.48 0.00 2.15 1.78 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 2.24 2.28 0.00 37 K 8.61 4.74 0.00 1.78 1.67 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.45 7.81 38 L 9.08 4.92 0.00 1.55 1.53 0.92 0.89 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 39 D 9.16 4.91 0.00 2.59 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.64 4.01 0.00 1.71 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.31 7.81 41 G 9.06 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 0.00 0.00 0.00 42 E 8.20 4.22 0.00 2.06 1.88 0.00 0.00 0.00 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 2.25 0.00 43 V 8.30 4.93 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 8.88 4.77 0.00 1.76 1.45 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 5.03 1.78 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 1.27 0.68 0.78 0.00 0.00 46 A 8.95 4.70 1.12 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 47 Q 8.65 4.80 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 48 F 8.33 4.72 0.00 3.07 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 49 T 8.92 4.66 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 1.28 0.00 0.00 50 E 8.91 4.17 0.00 1.94 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 2.06 2.28 0.00 51 H 7.82 4.51 0.00 3.26 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.07 5.06 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 53 S 8.76 5.08 0.00 3.80 4.08 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 0.00 0.00 0.00 0.00 54 A 7.83 4.99 1.32 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 0.00 0.00 0.00 55 I 8.56 5.01 1.84 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.68 0.83 0.00 0.00 56 K 9.06 4.61 0.00 1.74 1.43 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.36 7.81 57 V 8.34 4.77 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 8.96 4.49 0.00 1.86 1.68 0.00 3.12 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 59 G 9.05 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 0.00 0.00 0.00 60 K 9.46 4.51 0.00 1.84 1.72 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.82 5.13 1.27 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 0.00 0.00 0.00 62 Y 8.94 4.85 0.00 3.06 2.82 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 63 I 8.39 5.08 1.91 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 1.21 0.55 0.86 0.00 0.00 64 Q 9.08 5.08 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.51 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 65 T 8.47 4.80 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 66 R 8.51 3.80 0.00 1.59 1.76 0.00 3.19 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 67 H 8.04 4.68 0.00 3.19 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.14 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 69 V 8.08 4.55 1.96 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 0.21 0.00 0.00 0.86 0.00 0.00 70 I 8.37 4.64 1.80 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 1.19 1.27 0.84 0.00 0.00 71 E 8.61 5.15 0.00 1.83 1.82 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 2.14 2.11 0.00 72 S 8.74 4.77 0.00 3.91 3.96 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 73 E 8.48 4.90 0.00 1.82 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 2.21 2.28 0.00 74 G 8.89 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