NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 R 4.3341 8.3545 119.0729 55.9711 30.9557 175.0930 -1 K 4.6548 7.8235 123.7438 51.7931 37.0924 173.2714 0 L 3.4875 8.9517 119.8745 56.8204 41.4226 179.5295 1 C 4.4342 9.4814 125.2596 60.6850 39.9177 175.4037 2 S 3.8976 7.9692 114.5568 59.5573 62.7929 173.7960 3 L 4.3173 8.1614 123.7509 53.6340 41.8634 175.5391 4 D 4.3402 9.3375 129.0444 55.6200 39.8620 173.0736 5 N 4.3899 8.3111 109.2557 53.3457 37.6865 174.3444 6 G 3.6835 8.9046 101.4100 45.6618 0.0000 174.7269 7 D 4.5256 8.2704 115.9553 54.3653 40.4438 173.3503 8 C 4.7127 7.9371 114.7921 56.7468 41.0008 173.7280 9 D 4.5053 8.7520 123.9843 56.9623 42.2147 177.3069 10 Q 4.3749 7.7373 111.5270 55.8833 30.6213 178.9909 11 F 4.6985 6.0457 127.4992 58.4389 40.3935 173.2314 12 C 5.4048 8.8596 123.0065 55.1618 42.0292 172.5595 13 H 5.1218 9.3958 122.2068 54.0740 33.1054 172.0773 14 E 5.1034 8.8430 120.2982 54.8526 31.2720 175.3744 15 E 4.5340 8.9322 124.5709 55.6092 32.5158 176.3818 16 Q 3.2310 9.6087 123.5782 57.3447 26.2672 173.8816 17 N 4.3659 8.4461 109.0847 53.7628 36.6739 174.6407 18 S 4.7175 7.7556 112.1965 56.1007 66.2556 173.1869 19 V 4.1710 8.2550 121.8611 62.9703 32.2423 175.2883 20 V 4.4263 9.1610 127.4962 61.4364 34.0288 173.8503 21 C 5.4144 8.9086 125.3905 56.4134 38.8873 172.6832 22 S 4.7661 8.9529 115.1283 57.8064 66.6796 171.8300 23 C 4.9606 8.5349 115.9760 54.4669 38.4955 174.2095 24 A 4.4834 8.8072 123.8449 51.6662 18.6914 177.3979 25 R 4.0696 8.4263 119.9527 58.1036 30.6952 177.0830 26 G 3.9452 9.3672 112.0849 45.2564 0.0000 171.9657 27 Y 5.2795 7.6405 115.8772 56.1165 41.7680 174.9970 28 T 4.7392 8.9159 112.1522 59.5287 71.9543 173.1190 29 L 4.5629 8.5320 126.2693 54.9750 42.8807 176.4561 30 A 4.2891 9.3318 128.5320 51.5808 19.4297 178.0562 31 D 4.2777 8.7885 118.9285 57.5937 40.8716 178.0715 32 N 4.4032 8.1667 113.6762 53.1893 37.3710 175.5082 33 G 3.9885 8.3020 107.0579 46.2828 0.0000 174.1770 34 K 4.4859 8.6941 118.7111 57.4140 35.6008 176.7789 35 A 4.8214 8.2453 120.4631 51.7837 20.2459 176.9195 36 C 5.2638 9.2963 117.8882 55.2669 39.8480 173.6128 37 I 4.6315 8.8989 125.4529 58.6826 38.9989 173.6716 38 P 4.3241 0.0000 0.0000 63.1387 31.3182 176.5984 39 T 4.1763 8.4676 113.5463 63.0532 69.8211 174.2278 40 G 4.0397 7.3078 109.1964 43.8024 0.0000 170.4341 41 P 4.0007 0.0000 0.0000 63.6514 32.3315 175.5239 42 Y 3.5620 7.7574 115.8455 58.5970 35.2288 168.7661 43 P 4.3013 0.0000 0.0000 62.1698 32.6642 176.4218 44 C 4.3174 8.3653 114.9829 59.7805 29.9647 174.2394 45 G 3.9706 8.9189 109.2400 45.6729 0.0000 173.0738 46 K 4.5825 7.3786 117.9746 54.1223 33.6858 176.6065 47 Q 4.1825 8.6697 122.8893 56.6714 29.4144 177.3630 48 T 4.4349 8.1878 112.4137 60.1784 67.6758 174.7990 49 L 4.3051 7.7635 128.0907 55.6163 41.9323 176.6459 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 -2 R 8.35 4.33 0.00 1.85 1.82 0.00 3.18 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 -1 K 7.82 4.65 0.00 1.69 1.62 0.00 1.91 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.09 7.81 0 L 8.95 3.49 0.00 1.99 1.06 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 1 C 9.48 4.43 0.00 3.14 3.13 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 0.00 0.00 0.00 0.00 2 S 7.97 3.90 0.00 4.12 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 3 L 8.16 4.32 0.00 1.83 1.71 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.34 4.34 0.00 2.88 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.31 4.39 0.00 2.97 2.79 0.00 0.00 7.58 7.90 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 6 G 8.90 3.68 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 7 D 8.27 4.53 0.00 2.82 2.80 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 8 C 7.94 4.71 0.00 3.07 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 D 8.75 4.51 0.00 2.63 2.56 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 0.00 0.00 0.00 0.00 10 Q 7.74 4.37 0.00 1.44 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.93 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 11 F 6.05 4.70 0.00 3.12 2.84 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 12 C 8.86 5.40 0.00 3.12 2.91 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 13 H 9.40 5.12 0.00 3.14 3.14 0.00 5.83 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 14 E 8.84 5.10 0.00 1.84 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 2.23 2.32 0.00 15 E 8.93 4.53 0.00 1.98 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 2.21 2.25 0.00 16 Q 9.61 3.23 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 17 N 8.45 4.37 0.00 2.88 2.94 0.00 0.00 6.95 7.57 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 18 S 7.76 4.72 0.00 3.96 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 19 V 8.25 4.17 2.09 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 0.77 0.00 0.00 0.94 0.00 0.00 20 V 9.16 4.43 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 1.05 0.00 0.00 1.01 0.00 0.00 21 C 8.91 5.41 0.00 3.05 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 22 S 8.95 4.77 0.00 4.01 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 23 C 8.53 4.96 0.00 2.81 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 24 A 8.81 4.48 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 25 R 8.43 4.07 0.00 1.87 1.94 0.00 3.28 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 26 G 9.37 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.64 5.28 0.00 2.85 2.79 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 28 T 8.92 4.74 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 1.23 0.00 0.00 29 L 8.53 4.56 0.00 1.68 1.63 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.33 4.29 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.79 4.28 0.00 2.68 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 32 N 8.17 4.40 0.00 2.81 2.94 0.00 0.00 6.00 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 33 G 8.30 3.99 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 0.00 0.00 0.00 34 K 8.69 4.49 0.00 1.65 1.96 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.57 7.81 35 A 8.25 4.82 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 36 C 9.30 5.26 0.00 2.55 2.80 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 37 I 8.90 4.63 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.93 0.91 0.00 0.00 38 P 0.00 4.32 0.00 1.79 1.67 0.00 3.68 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 39 T 8.47 4.18 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 1.20 0.00 0.00 40 G 7.31 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 41 P 0.00 4.00 0.00 1.94 1.84 0.00 3.89 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 42 Y 7.76 3.56 0.00 3.17 3.01 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 43 P 0.00 4.30 0.00 1.68 1.66 0.00 3.61 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 2.02 1.79 0.00 44 C 8.37 4.32 0.00 3.19 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 45 G 8.92 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 46 K 7.38 4.58 0.00 1.86 1.78 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.61 7.81 47 Q 8.67 4.18 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.33 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 48 T 8.19 4.43 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 49 L 7.76 4.31 0.00 1.65 1.61 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00