NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1833 8.3149 120.1348 56.6551 32.6031 171.8452 2 N 4.1011 8.6764 128.0077 51.8839 38.4566 173.3820 3 R 4.2946 8.1597 121.4352 54.7619 32.1697 173.8771 4 P 4.7455 0.0000 0.0000 62.7321 32.9771 176.1652 5 T 4.6273 8.3343 106.2368 61.3134 69.0727 175.6174 6 F 4.2987 8.8809 120.1820 60.7701 37.6318 177.8461 7 C 4.2756 6.8698 116.8724 59.0810 40.0447 174.7745 8 N 4.2568 8.3392 116.3890 55.1637 38.5129 175.4868 9 L 3.7985 7.4436 119.4805 55.1134 42.5977 176.0227 10 L 4.2412 8.0177 124.7438 52.4028 42.6491 174.5483 11 P 4.4716 0.0000 0.0000 61.9795 32.9889 175.0392 12 E 4.7052 8.1836 115.9345 54.9491 33.2728 177.2018 13 T 4.3751 8.6838 120.0400 65.4628 68.9881 175.3329 14 G 4.0885 8.2928 109.8265 46.5064 0.0000 173.8796 15 R 4.3196 8.1531 111.2910 56.9489 28.1262 177.1315 16 C 4.9484 7.5589 115.0287 57.7625 43.7867 172.4921 17 N 4.6876 8.3139 117.2452 53.8749 40.9457 174.3152 18 A 4.4974 7.7262 123.2582 50.2636 23.4517 174.8571 19 L 4.6219 8.4662 122.9956 55.3806 42.5925 176.7150 20 I 4.5468 8.1040 126.0780 59.4600 41.7454 174.4617 21 P 4.9942 0.0000 0.0000 62.8782 28.9110 173.6455 22 A 5.0563 8.0150 126.5538 51.4170 20.9886 176.8176 23 F 5.3591 9.0891 120.3077 56.2810 43.8723 173.4671 24 Y 5.5362 9.0145 119.3504 56.6448 42.1265 172.3629 25 Y 5.0454 9.1680 120.5220 56.5123 40.9819 173.2308 26 N 5.0877 7.9557 125.0603 51.8936 40.7550 175.5043 27 S 4.1222 8.8873 122.7712 62.0634 63.3525 175.3856 28 H 4.2039 8.2803 115.9429 58.6378 27.3594 176.4372 29 L 4.0323 7.8112 120.2834 55.8733 42.2406 176.8295 30 H 4.6504 8.1244 113.2010 55.6785 26.8003 174.1692 31 K 4.7337 6.5263 118.4174 56.2717 36.5026 174.1167 32 C 5.3577 8.8514 120.7113 56.4819 43.2020 173.5995 33 Q 4.6310 9.3361 121.0313 54.2346 31.8203 173.6456 34 K 3.9896 8.0982 121.5130 55.1771 34.3837 175.4271 35 F 4.9761 9.0688 119.0107 54.9010 42.0390 173.0536 36 N 4.8892 8.7142 117.4099 52.7931 40.2519 172.9069 37 Y 5.1651 8.4287 124.3883 56.7241 42.7782 174.5487 38 G 3.3905 8.0424 108.7890 46.7486 0.0000 173.5879 39 G 4.0967 5.7412 117.0858 45.5908 0.0000 173.0039 40 C 4.9160 7.7973 116.7861 57.8491 43.8388 175.0134 41 G 3.9502 8.5954 108.4479 45.7499 0.0000 173.1653 42 G 3.1254 7.7699 112.6194 44.3743 0.0000 172.4393 43 N 4.8069 8.0265 125.5292 51.1975 41.2740 174.6623 44 A 3.9373 8.4720 120.7435 55.8822 18.6799 178.1356 45 N 4.3858 7.9716 116.0278 53.2352 37.1639 173.3182 46 N 4.5950 6.6966 115.4439 52.4643 39.5624 173.8858 47 F 5.5280 8.8057 125.3465 55.9445 42.0351 175.1411 48 K 4.8238 8.9267 117.7218 57.3315 33.6174 175.5085 49 T 2.8233 7.0833 106.9654 59.2465 70.7523 173.6478 50 I 3.9225 7.6063 114.5775 64.6036 37.7486 176.6436 51 D 4.2472 7.9936 121.1576 56.9934 40.4130 177.6467 52 E 3.7308 7.9369 119.9627 59.6104 29.6682 179.8592 53 C 3.4943 7.7764 117.9222 58.8578 40.6459 175.0432 54 Q 3.8438 8.0717 121.4447 58.5620 28.5359 177.7234 55 R 4.2355 7.6784 118.8544 57.5877 30.3571 178.0579 56 T 4.1597 7.1916 112.3075 64.5581 67.8151 175.2687 57 C 4.4547 7.5929 115.8389 59.1684 41.3981 173.7061 58 A 3.9573 7.2471 121.9224 50.5217 20.4059 175.5645 59 A 4.3421 8.1757 118.9353 51.9553 19.8724 176.3500 60 K 4.6376 8.3708 116.6082 55.2881 33.7651 175.6473 61 Y 4.4974 8.2953 119.2726 55.4032 41.2096 175.5310 62 G 3.5965 8.4157 109.8154 45.9364 0.0000 174.2010 63 R 4.4101 8.2028 127.0858 55.5849 30.4227 173.5993 64 S 4.6789 7.9124 119.1744 59.6124 69.6249 174.7476 65 S 4.3005 7.8792 119.2135 58.6475 62.9100 174.0145 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 K 8.31 4.18 0.00 1.77 1.87 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.47 7.81 2 N 8.68 4.10 0.00 2.95 2.85 0.00 0.00 7.22 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 3 R 8.16 4.29 0.00 1.83 1.99 0.00 3.27 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 4 P 0.00 4.75 0.00 2.40 2.16 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.91 0.00 5 T 8.33 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 1.23 0.00 0.00 6 F 8.88 4.30 0.00 3.24 3.36 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 0.00 7 C 6.87 4.28 0.00 2.88 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.34 4.26 0.00 2.73 2.86 0.00 0.00 6.94 7.75 0.00 0.00 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 L 7.44 3.80 0.00 1.55 1.49 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.02 4.24 0.00 1.53 1.46 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.47 0.00 1.78 1.78 0.00 3.39 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.00 0.00 12 E 8.18 4.71 0.00 2.00 1.83 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 2.25 2.35 0.00 13 T 8.68 4.38 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 1.46 0.00 0.00 14 G 8.29 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 0.00 0.00 0.00 15 R 8.15 4.32 0.00 1.98 2.03 0.00 3.16 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 16 C 7.56 4.95 0.00 2.65 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 17 N 8.31 4.69 0.00 2.61 2.73 0.00 0.00 6.55 7.39 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 18 A 7.73 4.50 1.10 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 19 L 8.47 4.62 0.00 1.66 1.63 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.10 4.55 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.66 0.99 0.00 0.00 21 P 0.00 4.99 0.00 2.44 2.35 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 22 A 8.02 5.06 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.09 5.36 0.00 3.22 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 24 Y 9.01 5.54 0.00 2.88 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 25 Y 9.17 5.05 0.00 3.26 2.95 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 26 N 7.96 5.09 0.00 2.59 2.44 0.00 0.00 6.95 7.95 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 27 S 8.89 4.12 0.00 4.01 3.88 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 28 H 8.28 4.20 0.00 3.07 3.39 0.00 5.89 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.81 4.03 0.00 1.62 1.45 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.12 4.65 0.00 3.36 3.46 0.00 5.70 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 6.53 4.73 0.00 1.73 1.72 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.57 7.81 32 C 8.85 5.36 0.00 3.18 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 33 Q 9.34 4.63 0.00 1.80 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.52 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 34 K 8.10 3.99 0.00 0.79 0.74 0.00 1.34 0.00 0.00 1.63 0.00 0.00 2.62 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.96 1.08 7.81 35 F 9.07 4.98 0.00 3.00 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 36 N 8.71 4.89 0.00 2.89 3.01 0.00 0.00 6.36 7.55 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 37 Y 8.43 5.17 0.00 3.03 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 38 G 8.04 3.39 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 0.00 39 G 5.74 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 40 C 7.80 4.92 0.00 3.09 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 41 G 8.60 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 42 G 7.77 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 0.00 0.00 0.00 43 N 8.03 4.81 0.00 2.53 2.69 0.00 0.00 7.06 7.54 0.00 0.00 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 A 8.47 3.94 1.20 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 0.00 0.00 0.00 45 N 7.97 4.39 0.00 2.50 1.94 0.00 0.00 5.19 6.84 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 46 N 6.70 4.59 0.00 2.96 2.79 0.00 0.00 5.95 7.36 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 47 F 8.81 5.53 0.00 3.39 3.04 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 48 K 8.93 4.82 0.00 1.76 1.82 0.00 1.86 0.00 0.00 2.45 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.42 7.81 49 T 7.08 2.82 3.85 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 0.00 0.00 0.84 0.00 0.00 50 I 7.61 3.92 1.89 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 1.49 0.49 1.08 0.00 0.00 51 D 7.99 4.25 0.00 2.61 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.94 3.73 0.00 2.00 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 2.35 2.32 0.00 53 C 7.78 3.49 0.00 3.50 3.29 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 54 Q 8.07 3.84 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.37 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 55 R 7.68 4.24 0.00 1.73 1.93 0.00 3.30 0.00 0.00 2.58 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 56 T 7.19 4.16 4.07 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 0.46 0.00 0.00 57 C 7.59 4.45 0.00 3.16 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 58 A 7.25 3.96 1.11 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 59 A 8.18 4.34 1.36 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 0.00 0.00 0.00 60 K 8.37 4.64 0.00 1.76 1.76 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.44 7.81 61 Y 8.30 4.50 0.00 2.82 2.92 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 62 G 8.42 3.60 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 0.00 0.00 0.00 63 R 8.20 4.41 0.00 1.76 1.83 0.00 3.24 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 64 S 7.91 4.68 0.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.88 4.30 0.00 3.97 3.85 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 0.00 0.00 0.00