NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3668 8.1127 119.6568 56.1140 32.2349 173.7078 5 E 4.7439 8.4490 121.2851 53.2323 32.4218 173.7982 6 C 4.4252 9.7223 127.6527 59.3407 32.6474 173.5897 7 D 4.5114 8.7601 126.9682 55.9209 39.8231 175.7197 8 Y 4.4023 6.9566 118.0413 58.7931 41.5783 176.3224 9 C 4.6592 7.8259 113.0324 60.2520 30.5836 175.8170 10 G 4.0398 8.4177 105.9445 44.7280 0.0000 173.2543 11 T 4.3985 7.7397 110.3003 60.7605 71.1003 173.4395 12 D 4.9289 8.4686 122.1249 54.2525 41.5475 176.4590 13 I 4.0492 8.5079 125.5775 60.3411 37.6662 175.7895 14 E 3.8888 9.0181 128.7801 55.5834 29.7823 174.8047 15 P 4.2364 0.0000 0.0000 64.4852 31.5892 176.1164 16 G 3.8441 10.0737 109.2424 46.3359 0.0000 172.8701 17 T 4.4784 7.7519 113.4753 62.8216 72.5945 174.2630 18 G 4.0966 8.9460 109.0546 45.6930 0.0000 172.4668 19 T 4.8405 8.3642 113.4390 61.7446 72.9654 173.2732 20 M 5.0274 8.6718 123.0680 53.8798 34.5450 174.3780 21 F 4.8278 9.4455 130.0212 57.2972 41.2899 174.5122 22 V 4.3408 7.6457 126.4100 61.2185 32.2302 175.0301 23 H 4.0126 8.7042 126.1799 55.0558 29.4438 176.9334 24 K 3.8504 8.6955 122.0503 59.7869 31.8747 177.6594 25 D 4.4120 7.9469 115.4591 54.0932 39.5986 176.6619 26 G 3.9722 7.7844 106.9931 44.8770 0.0000 174.0490 27 A 4.2262 8.9012 122.6375 52.3539 19.7440 176.7039 28 T 4.9817 8.3708 115.8991 62.0218 71.9154 173.6525 29 T 4.6264 8.9221 122.5874 62.0610 71.9487 172.8900 30 H 4.9824 9.2212 125.1676 54.9713 30.1594 174.5420 31 F 5.2745 9.2709 123.6446 56.1801 40.7089 176.9094 32 C 4.4986 9.0055 116.4224 59.1549 30.4763 173.4002 33 S 4.5728 7.4175 114.7418 56.7111 66.0644 176.3401 34 S 4.0982 8.2304 116.7751 61.2150 62.7493 175.9459 35 K 3.6972 8.0455 122.9204 59.6668 31.7712 178.2404 36 C 4.1477 7.7567 115.4360 62.8446 28.0406 175.9247 37 E 2.7023 7.4765 120.1219 59.0825 28.7660 179.2583 38 N 4.1612 8.3920 116.6986 56.3699 38.4678 177.3303 39 N 4.4185 8.2611 117.7202 56.0674 38.6102 177.4259 40 A 4.1277 7.6798 122.4574 55.2184 18.2424 179.4140 41 D 4.3682 7.8661 116.3990 56.8133 40.9082 177.9791 42 L 4.3708 7.3584 117.3972 54.4664 41.6848 177.7065 43 G 3.9774 7.7884 106.9931 45.7543 0.0000 174.4081 44 R 4.2239 7.6979 118.3738 55.7134 30.8996 175.7363 45 E 4.5451 8.5355 120.5722 54.5814 31.4716 176.7404 46 A 3.3592 8.1043 127.2489 55.2708 18.5500 179.4501 47 R 3.7638 7.8295 112.9669 59.5364 30.0885 177.5477 48 N 4.4363 8.2428 112.8992 53.9580 39.0891 174.7414 49 L 4.4741 7.5185 120.0872 52.6070 42.5338 176.8474 50 E 3.9230 8.9640 124.7104 59.1774 29.5376 179.0176 51 W 4.3375 7.9574 114.0560 58.9091 28.7823 176.3339 52 T 3.7555 6.8771 115.3715 61.3448 67.1035 174.7868 53 D 4.3962 8.7775 128.5070 57.8239 40.8094 177.8791 54 T 3.7629 7.5766 115.3614 66.2714 68.7746 175.2000 55 A 4.0061 7.8400 124.4066 55.4073 18.5778 177.5797 56 R 4.0859 7.6829 114.9428 56.4339 29.6069 176.3132 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 4 R 8.11 4.37 0.00 1.77 1.90 0.00 2.97 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 5 E 8.45 4.74 0.00 1.96 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 2.15 2.39 0.00 6 C 9.72 4.43 0.00 3.08 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 7 D 8.76 4.51 0.00 2.53 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 8 Y 6.96 4.40 0.00 3.02 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 9 C 7.83 4.66 0.00 3.24 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.42 4.04 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 0.00 0.00 0.00 11 T 7.74 4.40 4.30 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 1.33 0.00 0.00 12 D 8.47 4.93 0.00 2.61 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 13 I 8.51 4.05 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.97 0.00 0.00 14 E 9.02 3.89 0.00 1.93 1.92 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 2.32 2.40 0.00 15 P 0.00 4.24 0.00 2.23 2.07 0.00 3.87 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 2.00 1.99 0.00 16 G 10.07 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.75 4.48 4.55 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 1.24 0.00 0.00 18 G 8.95 4.10 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 0.00 0.00 0.00 19 T 8.36 4.84 4.37 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 1.30 0.00 0.00 20 M 8.67 5.03 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.35 0.00 21 F 9.45 4.83 0.00 3.39 3.19 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 0.00 0.00 0.00 22 V 7.65 4.34 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 0.75 0.00 0.00 0.85 0.00 0.00 23 H 8.70 4.01 0.00 3.26 3.21 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.70 3.85 0.00 1.73 1.87 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 25 D 7.95 4.41 0.00 2.82 2.78 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 26 G 7.78 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 27 A 8.90 4.23 1.16 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 0.00 0.00 28 T 8.37 4.98 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 1.20 0.00 0.00 29 T 8.92 4.63 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 0.62 0.00 0.00 30 H 9.22 4.98 0.00 3.12 3.27 0.00 5.79 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.27 5.27 0.00 3.07 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 32 C 9.01 4.50 0.00 3.16 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 33 S 7.42 4.57 0.00 4.01 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 34 S 8.23 4.10 0.00 3.97 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 35 K 8.05 3.70 0.00 1.74 1.83 0.00 1.41 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.45 1.38 7.81 36 C 7.76 4.15 0.00 3.22 3.14 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 0.00 0.00 0.00 37 E 7.48 2.70 0.00 1.60 1.18 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 1.47 2.13 0.00 38 N 8.39 4.16 0.00 2.74 2.77 0.00 0.00 7.07 6.78 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 39 N 8.26 4.42 0.00 2.85 3.11 0.00 0.00 6.92 6.90 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 40 A 7.68 4.13 1.24 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 41 D 7.87 4.37 0.00 2.67 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 42 L 7.36 4.37 0.00 1.78 1.72 0.94 1.28 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 43 G 7.79 3.98 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 0.00 0.00 0.00 44 R 7.70 4.22 0.00 2.15 1.99 0.00 3.26 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 1.73 1.67 0.00 45 E 8.54 4.55 0.00 1.98 1.79 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 2.32 2.31 0.00 46 A 8.10 3.36 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.83 3.76 0.00 1.72 1.94 0.00 3.14 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 48 N 8.24 4.44 0.00 2.74 2.84 0.00 0.00 6.94 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 49 L 7.52 4.47 0.00 1.15 0.87 1.07 0.84 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 50 E 8.96 3.92 0.00 2.02 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 0.00 2.31 2.33 0.00 51 W 7.96 4.34 0.00 3.54 3.23 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 52 T 6.88 3.76 3.14 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 0.00 0.00 0.97 0.00 0.00 53 D 8.78 4.40 0.00 2.80 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 54 T 7.58 3.76 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 1.07 0.00 0.00 55 A 7.84 4.01 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 56 R 7.68 4.09 0.00 1.95 1.91 0.00 3.13 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00