NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 T 4.3709 8.1749 110.9449 61.3106 70.3054 173.6570 12 K 4.0157 8.7351 120.0726 57.3709 32.5127 178.5607 13 W 4.2764 8.5242 129.9347 58.6241 32.4048 176.0691 14 L 4.4436 7.9687 116.4423 55.2917 42.3718 176.3481 15 T 4.5634 7.7097 110.1012 61.6030 69.7124 174.1341 16 L 4.9059 8.5595 123.0154 52.7920 46.4897 175.1544 17 E 4.6833 8.7148 122.9356 55.8505 30.7228 176.1968 18 V 4.1290 9.4481 128.1259 62.6555 32.9624 176.0217 19 C 4.2315 8.7986 125.9973 58.5780 31.6067 174.5632 20 R 3.8719 8.3916 126.7651 59.0824 28.7142 178.4674 21 E 3.8621 8.0573 118.9771 59.0620 29.8423 177.9522 22 F 3.9349 8.3359 120.1955 61.7333 39.1336 176.9255 23 Q 4.1883 8.4477 116.9242 57.6008 28.8274 176.4048 24 R 4.4597 7.0366 116.1637 56.1733 29.7855 176.1996 25 G 3.7028 8.6123 104.8365 47.5291 0.0000 174.8052 26 T 4.4736 7.9704 110.2708 60.8898 68.7721 173.0847 27 C 4.4459 8.0883 120.9749 59.8785 32.0664 173.2376 28 S 4.8543 8.6773 123.4074 58.4110 63.2044 173.6686 29 R 4.6661 7.8736 118.7838 53.4694 32.0285 174.6198 30 P 4.3845 0.0000 0.0000 62.8983 31.9143 176.8858 31 D 4.2677 8.9236 120.9487 57.8755 40.8124 178.2563 32 T 4.2709 7.7754 109.9694 62.5524 67.4992 174.1428 33 E 4.4922 8.1368 117.3270 56.3744 31.4738 175.1133 34 C 4.5199 7.3653 119.5170 58.1289 32.5639 173.6392 35 K 4.0110 8.3947 124.0685 57.4576 32.0907 176.3233 36 F 5.0273 7.5378 116.2019 55.0143 42.4015 174.8371 37 A 4.1346 8.6042 121.5029 52.3369 19.6628 176.7823 38 H 4.1518 8.2966 117.6444 53.0690 30.5117 171.7256 39 P 4.4567 0.0000 0.0000 61.3443 32.2919 177.0656 40 S 4.2383 8.7033 117.5855 58.7111 63.6514 175.2511 41 K 4.8570 8.5337 124.9351 55.3600 29.4048 177.0800 42 S 4.5664 7.2996 108.6826 58.6774 66.9968 175.9720 43 C 4.3016 8.0241 120.2039 59.7397 28.8088 173.4859 44 Q 4.1155 8.8626 124.7428 55.9822 29.4167 174.9006 45 V 4.4633 8.3157 127.5469 61.0787 33.4897 174.6828 46 E 4.1809 10.2799 131.7074 56.2121 29.4466 175.8611 47 N 3.9686 7.9097 124.2723 55.9111 35.6911 173.1291 48 G 4.1074 9.2839 112.4167 44.4868 0.0000 171.8510 49 R 5.6455 8.6421 119.3486 53.6291 32.9370 176.0701 50 V 4.7716 8.3456 116.6114 59.4089 34.6474 174.6235 51 I 4.8182 8.1779 122.6610 59.5311 39.2637 175.4512 52 A 4.3847 8.3773 128.6239 51.9538 19.5950 177.1247 53 C 4.3610 9.1470 121.4910 58.5059 31.1550 173.9160 54 F 4.2092 9.1567 129.6406 61.6232 39.0801 177.1739 55 D 4.6333 8.2479 118.8892 56.2019 41.2423 178.4825 56 S 4.2563 8.2402 114.2312 60.5501 63.6124 176.5880 57 L 3.9657 7.6235 119.9725 58.0504 41.3530 179.3199 58 K 4.0577 8.2622 112.0090 56.6571 31.3121 177.4063 59 G 3.9728 8.1391 105.7517 46.5550 0.0000 174.5351 60 R 4.4180 8.0514 116.5563 55.8697 30.0804 176.2444 61 C 4.5084 7.7421 118.1060 59.5383 32.2876 173.7234 62 S 4.6731 8.2833 116.7470 58.7603 65.3145 174.3562 63 R 4.2796 7.9252 119.9986 55.7640 30.4175 176.3086 64 E 3.9700 8.5732 122.6802 58.6048 29.9422 177.3826 65 N 4.6263 7.6941 124.5832 51.7665 38.2895 174.7745 66 C 4.3669 8.2070 123.2962 58.8244 32.7311 173.0717 67 K 4.0545 8.2311 122.9844 56.5568 32.7604 174.8579 68 Y 5.2208 7.0388 115.4637 55.9342 39.6102 174.8590 69 L 3.6504 7.8646 125.5432 52.5037 44.2367 175.5373 70 H 5.0896 8.7699 123.8276 53.6720 29.0855 173.1326 71 P 4.4286 0.0000 0.0000 61.1742 31.6857 175.4665 72 P 4.5722 0.0000 0.0000 61.9080 33.5234 174.8067 73 P 4.0889 0.0000 0.0000 67.0021 30.8713 177.6017 74 H 4.0833 8.2583 114.5663 58.1273 28.2593 177.4059 75 L 3.8776 7.1884 120.3649 56.9674 41.3278 179.6026 76 K 3.9394 8.0455 119.2217 59.5033 31.9122 179.3507 77 T 4.2005 7.6813 110.9120 63.8811 68.9058 176.4952 78 Q 3.9692 8.1002 122.1404 58.4742 28.9744 177.8794 79 L 3.8037 7.4084 119.8582 56.8426 41.5798 178.8919 80 E 3.7804 7.7979 118.6837 59.3181 29.4442 179.0151 81 I 3.6871 7.8779 120.1880 64.8664 36.9746 178.2706 82 N 4.3720 7.8042 116.9527 55.3897 37.9433 176.6594 83 G 3.8645 7.0719 105.0334 44.3662 0.0000 174.0862 84 R 4.4637 7.6376 121.7022 56.6421 31.3783 176.6605 85 N 4.6592 7.7560 115.3791 51.9991 36.8404 174.7653 86 N 4.4143 8.0048 118.9394 52.2472 37.3924 175.3058 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 11 T 8.17 4.37 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 1.20 0.00 0.00 12 K 8.74 4.02 0.00 1.94 1.92 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.46 7.81 13 W 8.52 4.28 0.00 3.08 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 14 L 7.97 4.44 0.00 1.65 1.66 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.71 4.56 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 16 L 8.56 4.91 0.00 1.60 1.56 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.71 4.68 0.00 2.23 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 0.00 2.33 2.34 0.00 18 V 9.45 4.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.98 0.00 0.00 19 C 8.80 4.23 0.00 3.35 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 20 R 8.39 3.87 0.00 2.02 2.12 0.00 2.93 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 21 E 8.06 3.86 0.00 2.07 2.05 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 2.40 2.34 0.00 22 F 8.34 3.93 0.00 2.99 3.26 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 23 Q 8.45 4.19 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.17 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 24 R 7.04 4.46 0.00 1.88 1.92 0.00 3.18 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 25 G 8.61 3.70 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 0.00 0.00 0.00 26 T 7.97 4.47 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 1.22 0.00 0.00 27 C 8.09 4.45 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.85 0.00 3.91 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 29 R 7.87 4.67 0.00 1.88 1.88 0.00 3.32 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 30 P 0.00 4.38 0.00 2.18 2.01 0.00 3.64 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 2.13 2.15 0.00 31 D 8.92 4.27 0.00 2.77 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 32 T 7.78 4.27 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 1.20 0.00 0.00 33 E 8.14 4.49 0.00 1.92 1.86 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 2.18 2.32 0.00 34 C 7.37 4.52 0.00 2.87 2.73 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 35 K 8.39 4.01 0.00 1.21 1.22 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.20 7.81 36 F 7.54 5.03 0.00 2.93 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 37 A 8.60 4.13 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 38 H 8.30 4.15 0.00 2.50 1.31 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.46 0.00 2.14 2.03 0.00 4.05 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 40 S 8.70 4.24 0.00 4.02 4.03 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 0.00 0.00 0.00 41 K 8.53 4.86 0.00 1.78 1.85 0.00 1.93 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.50 7.81 42 S 7.30 4.57 0.00 3.91 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 0.00 43 C 8.02 4.30 0.00 3.07 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 44 Q 8.86 4.12 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 45 V 8.32 4.46 2.11 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 0.87 0.00 0.00 0.98 0.00 0.00 46 E 10.28 4.18 0.00 2.00 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 2.28 2.29 0.00 47 N 7.91 3.97 0.00 2.79 2.78 0.00 0.00 7.46 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 48 G 9.28 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 0.00 0.00 0.00 0.00 49 R 8.64 5.65 0.00 1.87 1.85 0.00 3.19 0.00 0.00 3.28 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 50 V 8.35 4.77 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 0.93 0.00 0.00 0.97 0.00 0.00 51 I 8.18 4.82 2.16 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 1.36 0.82 0.90 0.00 0.00 52 A 8.38 4.38 1.28 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 53 C 9.15 4.36 0.00 3.60 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 54 F 9.16 4.21 0.00 3.02 2.88 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 0.00 0.00 0.00 55 D 8.25 4.63 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.26 0.00 3.70 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 3.97 0.00 1.95 1.86 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.26 4.06 0.00 1.77 1.87 0.00 1.93 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.57 7.81 59 G 8.14 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 0.00 0.00 0.00 60 R 8.05 4.42 0.00 1.97 1.96 0.00 3.33 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 61 C 7.74 4.51 0.00 3.01 2.77 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 62 S 8.28 4.67 0.00 3.86 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 63 R 7.93 4.28 0.00 1.87 1.88 0.00 3.23 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 64 E 8.57 3.97 0.00 1.94 1.97 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 2.32 2.40 0.00 65 N 7.69 4.63 0.00 2.69 2.77 0.00 0.00 6.85 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 C 8.21 4.37 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.23 4.05 0.00 1.53 0.94 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.00 1.22 7.81 68 Y 7.04 5.22 0.00 3.00 3.11 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 0.00 69 L 7.86 3.65 0.00 1.84 1.58 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.77 5.09 0.00 3.06 3.27 0.00 5.77 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.43 0.00 1.98 1.91 0.00 3.68 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 72 P 0.00 4.57 0.00 2.28 2.17 0.00 3.64 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 1.92 2.13 0.00 73 P 0.00 4.09 0.00 2.29 2.33 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 74 H 8.26 4.08 0.00 3.32 3.55 0.00 5.46 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.19 3.88 0.00 1.68 1.60 0.79 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.05 3.94 0.00 1.95 1.82 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.41 7.81 77 T 7.68 4.20 4.20 0.00 0.00 0.00 0.00 0.00 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 78 Q 8.10 3.97 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 79 L 7.41 3.80 0.00 1.62 1.24 0.81 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.80 3.78 0.00 2.12 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 2.32 2.48 0.00 81 I 7.88 3.69 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.92 0.84 0.00 0.00 82 N 7.80 4.37 0.00 2.41 2.60 0.00 0.00 6.93 8.08 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 83 G 7.07 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 84 R 7.64 4.46 0.00 1.99 1.93 0.00 3.33 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 85 N 7.76 4.66 0.00 2.91 2.77 0.00 0.00 7.00 7.88 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 86 N 8.00 4.41 0.00 2.88 2.82 0.00 0.00 6.17 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