NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2960 8.1631 117.3742 62.9659 69.8581 173.5868 2 G 3.6107 8.6510 115.3497 45.5820 0.0000 171.4787 3 A 4.5848 7.9882 121.7466 51.6735 22.0399 176.3233 4 G 4.3786 7.3361 109.5037 44.8270 0.0000 175.6621 5 T 3.8560 9.1858 122.4286 66.1432 67.8857 173.4071 6 P 4.3206 0.0000 0.0000 65.2799 31.6957 177.5186 7 S 4.4739 8.0083 113.7942 59.2627 62.8742 175.1940 8 Q 4.4673 8.1665 120.9575 56.8953 28.8808 177.0431 9 G 3.7183 7.9157 109.4532 48.1065 0.0000 175.3686 10 K 4.3418 7.9392 116.5029 57.3112 32.5027 178.0842 11 K 4.3970 7.3436 119.7960 55.2242 30.1584 176.2845 12 N 5.0545 7.8467 116.0565 52.5851 38.3897 175.2234 13 T 4.5348 7.8790 114.3062 63.1974 70.3648 174.1567 14 T 4.5934 8.2879 121.3960 62.1922 69.9926 172.8569 15 T 4.3255 7.6289 114.6183 63.0487 70.6281 172.5922 16 H 5.0652 8.0342 120.3657 54.6950 29.9571 174.4079 17 T 4.7772 9.4236 112.7555 59.2762 72.8734 172.6552 18 K 4.1746 8.9453 123.8943 57.2341 32.9186 175.6981 19 C 4.0689 9.7364 130.1352 59.4426 31.7802 173.9027 20 R 3.6219 8.5862 127.6718 59.6154 29.1993 177.1196 21 R 3.6257 6.7545 116.7423 57.9039 30.4432 176.4219 22 C 4.2296 7.7509 113.1885 57.8667 30.7003 174.6906 23 G 3.8435 8.3960 108.9369 45.8387 0.0000 173.0851 24 E 4.5646 7.6629 118.6670 53.9209 32.1198 175.5582 25 K 4.6828 8.2100 121.7806 57.3319 31.1538 177.0041 26 S 4.8831 8.0568 113.3554 58.3451 65.5503 174.3441 27 Y 4.5979 8.6553 123.8806 57.4711 39.5733 174.4149 28 H 4.5331 8.9209 129.0908 55.8353 29.7199 175.5650 29 T 3.8722 9.2949 123.0019 64.0461 66.9415 174.8991 30 K 4.2426 8.1757 118.9728 58.1137 32.9313 177.3798 31 K 4.1015 7.8169 115.1152 55.4871 33.0032 176.0518 32 K 3.0177 8.0066 119.4551 56.1959 30.2714 174.8558 33 V 4.7072 6.2889 116.1952 61.7150 34.7260 172.1052 34 C 5.0358 9.6028 128.1772 58.7152 32.2462 174.1928 35 S 4.5132 8.7270 120.9365 59.4638 63.5261 174.6782 36 S 4.5802 8.2979 114.8718 59.8066 63.4008 174.1756 37 C 4.5201 8.0918 112.2271 57.1671 30.4226 175.0615 38 G 3.9723 8.1473 108.4376 45.4771 0.0000 173.4511 39 F 4.2642 8.0571 122.4280 60.1185 39.5740 175.8567 40 G 3.8344 8.5288 115.2446 46.1459 0.0000 172.5341 41 K 4.3150 7.1065 116.7867 55.9737 34.8881 174.7510 42 S 4.7254 8.4434 113.8354 56.0109 64.4803 174.3516 43 A 4.1824 8.7539 130.7208 55.1707 18.4345 178.4504 44 K 4.1057 7.3548 113.3606 56.4583 32.6091 176.9401 45 R 4.3597 8.3591 121.9477 55.5333 30.7041 176.3390 46 R 3.7452 7.9675 124.5337 57.4497 30.4422 175.0470 47 D 4.4241 7.6230 122.2122 53.8180 44.2750 174.1683 48 Y 4.3810 7.8197 121.0365 56.0436 41.9775 176.0348 49 E 4.1197 8.6631 122.2796 57.8824 29.7534 178.1148 50 W 4.7002 7.4220 114.7745 56.8053 28.8173 177.1625 51 Q 4.3333 7.7438 118.6985 57.7541 28.3475 175.6649 52 S 4.8615 7.3339 110.6252 55.5328 66.3821 173.8763 53 K 4.0960 8.4908 119.8582 56.1583 32.3758 178.1133 54 A 3.9743 8.8211 126.1872 55.2141 18.2496 178.4144 55 G 4.1693 7.8285 102.5236 44.9295 0.0000 173.1997 56 E 4.2014 8.3380 126.7889 56.2873 29.8831 174.4416 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 T 8.16 4.30 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 1.21 0.00 0.00 2 G 8.65 3.61 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 0.00 3 A 7.99 4.58 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 4 G 7.34 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.19 3.86 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 1.21 0.00 0.00 6 P 0.00 4.32 0.00 2.22 2.19 0.00 3.66 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 2.16 2.05 0.00 7 S 8.01 4.47 0.00 4.22 3.92 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 0.00 0.00 0.00 8 Q 8.17 4.47 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 9 G 7.92 3.72 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 0.00 0.00 0.00 10 K 7.94 4.34 0.00 1.76 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 11 K 7.34 4.40 0.00 1.91 1.78 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.46 1.37 7.81 12 N 7.85 5.05 0.00 2.77 2.84 0.00 0.00 6.29 7.71 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 13 T 7.88 4.53 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 14 T 8.29 4.59 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 1.22 0.00 0.00 15 T 7.63 4.33 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 1.14 0.00 0.00 16 H 8.03 5.07 0.00 3.06 3.55 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 9.42 4.78 4.34 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 1.31 0.00 0.00 18 K 8.95 4.17 0.00 1.82 1.85 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.68 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 19 C 9.74 4.07 0.00 3.20 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 20 R 8.59 3.62 0.00 1.48 1.34 0.00 3.13 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 21 R 6.75 3.63 0.00 0.67 1.60 0.00 3.39 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.29 0.00 22 C 7.75 4.23 0.00 3.10 3.02 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 23 G 8.40 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 24 E 7.66 4.56 0.00 1.94 1.90 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 2.34 2.26 0.00 25 K 8.21 4.68 0.00 1.80 1.80 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.52 7.81 26 S 8.06 4.88 0.00 3.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.60 0.00 3.08 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 28 H 8.92 4.53 0.00 3.03 3.05 0.00 5.67 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 9.29 3.87 4.27 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 1.19 0.00 0.00 30 K 8.18 4.24 0.00 1.84 1.84 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.41 7.81 31 K 7.82 4.10 0.00 1.48 1.67 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.55 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.14 0.70 7.81 32 K 8.01 3.02 0.00 1.75 1.85 0.00 1.81 0.00 0.00 1.47 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.49 7.81 33 V 6.29 4.71 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 1.01 0.00 0.00 1.01 0.00 0.00 34 C 9.60 5.04 0.00 3.33 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 35 S 8.73 4.51 0.00 4.15 4.12 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 36 S 8.30 4.58 0.00 3.91 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 37 C 8.09 4.52 0.00 3.18 3.17 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 0.00 0.00 0.00 0.00 38 G 8.15 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 39 F 8.06 4.26 0.00 3.15 3.10 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 40 G 8.53 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 41 K 7.11 4.32 0.00 1.68 1.92 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.39 7.81 42 S 8.44 4.73 0.00 3.85 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.75 4.18 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 44 K 7.35 4.11 0.00 1.76 1.72 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.40 7.81 45 R 8.36 4.36 0.00 1.67 1.85 0.00 3.41 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 46 R 7.97 3.75 0.00 1.89 1.96 0.00 3.45 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 47 D 7.62 4.42 0.00 2.62 2.22 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.82 4.38 0.00 1.43 1.51 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 49 E 8.66 4.12 0.00 2.04 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 2.35 2.24 0.00 50 W 7.42 4.70 0.00 3.44 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.74 4.33 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 1.95 1.84 0.00 52 S 7.33 4.86 0.00 4.07 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 53 K 8.49 4.10 0.00 1.83 1.80 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.41 7.81 54 A 8.82 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.83 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.34 4.20 0.00 1.90 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 2.24 2.26 0.00