NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 5.2235 7.5958 121.1886 56.7047 34.2680 177.8151 4 G 3.5608 8.0124 105.3449 46.7877 0.0000 171.9630 5 E 4.0950 9.1331 122.3821 59.3074 29.9928 176.9600 6 E 4.0812 8.0994 117.9590 58.8332 29.2581 178.3754 7 L 4.2412 7.9687 117.2067 55.4992 41.2483 177.2240 8 F 4.7657 8.0314 117.7979 57.3618 39.4105 177.0392 9 T 4.0140 8.0505 111.1004 62.7999 69.2774 173.8738 10 G 4.3209 7.0879 111.4327 43.6698 0.0000 171.5789 11 V 4.0931 8.3439 119.4322 62.6888 32.3346 176.4805 12 V 4.4259 8.7025 128.0421 60.3281 33.9331 173.0372 13 P 4.8819 0.0000 0.0000 62.6651 32.3088 175.6889 14 I 4.6624 8.7385 123.8795 59.4534 40.6014 174.4343 15 L 5.1980 8.5852 125.2581 52.8864 44.7165 175.9402 16 V 4.5843 8.8714 122.8773 61.1627 34.7607 174.0763 17 E 5.2036 8.9192 125.9884 54.6736 33.0142 174.5338 18 L 4.9233 9.1998 126.3389 53.2518 45.7674 174.5850 19 D 5.2359 8.8194 124.7316 52.4505 43.3879 175.5510 20 G 3.4380 8.8607 110.5605 44.1008 0.0000 171.3325 21 D 5.0945 8.2964 119.7556 52.6207 44.0645 174.8841 22 V 4.2670 8.8710 126.7366 61.8120 32.8965 174.9391 23 N 4.3051 9.9061 125.6590 54.3750 35.9605 175.8082 24 G 3.8486 8.6879 105.7469 45.7131 0.0000 174.1981 25 H 4.5148 8.3698 118.6918 55.0773 28.5823 174.3445 26 K 5.0476 8.5217 124.8142 55.6219 33.2647 176.2542 27 F 5.0678 8.4769 117.7454 56.5763 41.9878 173.0663 28 S 5.2147 8.7170 114.0840 57.0325 67.4981 173.3064 29 V 5.1881 9.0129 122.4954 61.3788 35.0791 174.2043 30 S 5.2440 9.2970 123.0886 56.7769 66.1167 173.3804 31 G 4.2086 9.3865 110.5510 44.5007 0.0000 171.2132 32 E 5.0607 8.7171 120.0111 53.8000 34.0512 175.8324 33 G 4.1711 8.0376 110.0879 46.1494 0.0000 171.5578 34 E 5.1333 8.2898 120.2122 55.4234 33.4781 174.9936 35 G 4.5297 9.3064 107.4897 44.7881 0.0000 171.4240 36 D 5.0920 9.4107 121.9479 51.8187 42.4504 175.7084 37 A 4.1000 8.7358 128.4198 54.6551 18.9516 179.8752 38 T 3.6627 7.9597 111.8820 66.2001 68.4159 174.4181 39 Y 4.6266 7.8886 115.8377 56.6156 38.6245 175.5206 40 G 4.0402 7.7358 107.6695 46.5179 0.0000 173.2874 41 K 4.6910 8.0672 119.2825 54.1918 34.7658 174.5461 42 L 5.4359 8.6336 126.5343 53.0940 45.2517 175.8860 43 T 4.6802 8.8489 112.9267 59.9619 71.4613 172.8877 44 L 4.9647 8.4869 124.8246 52.6536 46.3006 175.3854 45 K 4.3467 8.5463 123.1777 54.5406 34.9468 174.6127 46 F 5.2750 8.5606 125.4680 55.7827 41.4106 175.0293 47 I 4.7024 8.8792 123.3721 59.5832 40.7277 174.1989 48 C 5.0815 9.2818 127.8009 59.3193 31.5324 173.1179 49 T 4.5102 8.9593 117.1106 62.6374 68.6129 175.5261 50 T 4.4962 9.2185 112.0561 61.4350 70.9085 172.1305 51 G 4.2254 7.3967 110.8989 44.4541 0.0000 176.0273 52 K 4.2441 8.4397 127.1341 54.6394 32.6981 175.6947 53 L 3.6305 8.2233 128.0129 54.4255 42.1937 175.3391 54 P 4.1927 0.0000 0.0000 63.2395 31.8991 175.8262 55 V 4.3487 6.1665 111.8780 58.4785 35.3965 173.5570 56 P 4.3106 0.0000 0.0000 62.1343 32.1072 177.6074 57 W 4.2961 9.0285 122.9321 59.8556 28.5397 177.0157 58 P 4.4025 0.0000 0.0000 65.4354 30.5247 178.2313 59 T 4.0392 7.8985 107.2800 63.3148 69.2090 175.5716 60 L 4.1060 7.7320 120.9947 54.5050 41.9156 178.1935 61 V 3.5889 7.2959 119.3509 66.4017 31.2521 177.9879 62 T 3.9701 7.6927 107.3481 64.8555 68.7886 176.2908 63 T 3.9722 6.9150 115.2634 66.1571 68.5027 174.9211 64 F 4.9051 7.6386 123.1844 57.8198 39.1936 175.3598 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 3 K 7.60 5.22 0.00 1.82 1.89 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 4 G 8.01 3.56 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 0.00 0.00 0.00 5 E 9.13 4.10 0.00 2.05 2.01 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 2.38 2.36 0.00 6 E 8.10 4.08 0.00 2.33 2.00 0.00 0.00 0.00 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 2.42 0.00 7 L 7.97 4.24 0.00 1.20 1.36 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.03 4.77 0.00 3.41 2.99 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 9 T 8.05 4.01 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 10 G 7.09 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.34 4.09 2.10 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 0.83 0.00 0.00 0.98 0.00 0.00 12 V 8.70 4.43 2.10 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 0.91 0.00 0.00 0.84 0.00 0.00 13 P 0.00 4.88 0.00 1.96 1.94 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 14 I 8.74 4.66 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.01 0.95 0.00 0.00 15 L 8.59 5.20 0.00 1.49 1.54 0.92 0.81 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 16 V 8.87 4.58 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 1.17 0.00 0.00 1.09 0.00 0.00 17 E 8.92 5.20 0.00 1.87 1.84 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 2.23 2.25 0.00 18 L 9.20 4.92 0.00 1.95 1.73 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.82 5.24 0.00 2.49 2.43 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 0.00 20 G 8.86 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.30 5.09 0.00 2.57 2.47 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 22 V 8.87 4.27 2.23 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 1.04 0.00 0.00 1.13 0.00 0.00 23 N 9.91 4.31 0.00 2.94 2.89 0.00 0.00 7.26 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 24 G 8.69 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 0.00 0.00 0.00 25 H 8.37 4.51 0.00 3.35 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.52 5.05 0.00 1.66 1.72 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 27 F 8.48 5.07 0.00 3.00 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 28 S 8.72 5.21 0.00 3.80 3.76 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 29 V 9.01 5.19 2.38 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 1.25 0.00 0.00 1.24 0.00 0.00 30 S 9.30 5.24 0.00 3.81 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 31 G 9.39 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 0.00 0.00 0.00 0.00 32 E 8.72 5.06 0.00 1.76 1.69 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 2.15 2.16 0.00 33 G 8.04 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 34 E 8.29 5.13 0.00 2.10 2.00 0.00 0.00 0.00 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 2.27 0.00 35 G 9.31 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.41 5.09 0.00 2.84 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 37 A 8.74 4.10 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 38 T 7.96 3.66 3.58 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 0.48 0.00 0.00 39 Y 7.89 4.63 0.00 3.01 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 40 G 7.74 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 K 8.07 4.69 0.00 2.08 1.77 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.47 7.81 42 L 8.63 5.44 0.00 1.58 1.58 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.85 4.68 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 1.21 0.00 0.00 44 L 8.49 4.96 0.00 1.37 0.71 1.09 0.70 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 45 K 8.55 4.35 0.00 1.63 1.42 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.16 1.24 7.81 46 F 8.56 5.27 0.00 2.59 2.83 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 47 I 8.88 4.70 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.73 0.99 0.00 0.00 48 C 9.28 5.08 0.00 3.14 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 49 T 8.96 4.51 4.29 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 1.28 0.00 0.00 50 T 9.22 4.50 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 1.29 0.00 0.00 51 G 7.40 4.23 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 0.00 52 K 8.44 4.24 0.00 1.73 1.68 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.42 7.81 53 L 8.22 3.63 0.00 1.14 0.90 0.18 -0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.19 0.00 1.96 1.95 0.00 2.52 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.89 0.00 55 V 6.17 4.35 1.89 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 0.57 0.00 0.00 0.48 0.00 0.00 56 P 0.00 4.31 0.00 2.14 1.95 0.00 3.51 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 57 W 9.03 4.30 0.00 3.40 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 58 P 0.00 4.40 0.00 2.18 2.14 0.00 3.60 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 59 T 7.90 4.04 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 1.16 0.00 0.00 60 L 7.73 4.11 0.00 1.35 0.35 0.82 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.30 3.59 2.08 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 1.10 0.00 0.00 1.03 0.00 0.00 62 T 7.69 3.97 4.22 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 1.20 0.00 0.00 63 T 6.92 3.97 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 1.13 0.00 0.00 64 F 7.64 4.91 0.00 2.86 2.85 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