NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9118 8.1976 109.7235 45.3972 0.0000 174.5874 2 T 3.7346 8.2500 118.0510 62.8354 68.7783 174.5056 3 K 3.7950 8.7661 124.0672 59.7978 32.6004 179.6976 4 Q 3.9928 7.8614 117.6843 58.8244 28.5543 178.4533 5 E 3.4361 7.6579 119.1691 59.1422 29.4054 179.3839 6 K 4.0014 8.6242 118.8939 59.5939 31.9913 179.6226 7 T 3.8533 7.7861 115.5667 66.6878 68.4387 176.5882 8 I 3.7890 7.8511 121.6368 64.5884 37.3104 178.5760 9 L 4.2053 8.2645 119.5614 58.1411 41.5755 179.4253 10 N 4.4956 8.6746 116.8609 56.3582 38.4168 177.6411 11 M 4.1283 8.5718 120.3969 58.3893 31.9530 178.4544 12 A 4.0658 7.8028 119.5731 55.2038 18.6546 179.4672 13 R 3.3358 7.8256 116.4885 59.4614 30.1963 178.6179 14 F 4.1095 8.3120 120.3770 61.2756 39.2988 177.1191 15 I 3.8136 8.3107 120.0597 63.9962 36.9151 178.4622 16 R 3.8130 7.5943 119.4079 59.2466 29.8517 179.2039 17 S 4.0075 7.6749 113.3266 61.4913 63.1050 176.1176 18 Q 3.7117 7.5252 121.6597 58.5334 28.4079 178.7959 19 A 3.9671 8.2827 121.9545 55.3432 18.4041 179.7264 20 L 3.9592 7.7217 116.8403 58.0034 41.5515 179.7943 21 T 3.9179 8.0222 116.0258 66.3432 68.1816 176.8931 22 I 3.7481 7.5980 121.9846 64.1270 37.2211 177.9227 23 L 3.9076 8.0186 121.2468 58.3006 41.6753 179.0403 24 E 3.9530 8.2426 118.4131 59.3976 29.5682 179.4872 25 K 4.0233 7.9446 118.0154 58.8096 31.9482 179.5122 26 A 3.9458 8.2298 121.7625 55.3949 18.2993 179.4973 27 N 4.2772 8.1447 114.8492 56.1837 38.2544 177.6839 28 E 3.9758 7.6739 119.6658 59.3942 29.7924 178.7597 29 L 4.2064 7.5439 114.7631 54.5255 41.7974 176.6934 30 D 4.3577 7.4848 117.1558 55.3823 40.3505 174.9565 31 A 4.3537 7.8841 121.6591 50.7380 16.7797 178.1426 32 D 4.3774 8.1983 123.6351 56.9541 41.3285 178.0078 33 E 3.9912 8.0601 119.0583 59.3785 29.6390 179.0451 34 I 3.7349 7.7226 119.1858 64.0604 37.1843 178.0849 35 A 3.9725 8.0532 121.6725 55.4030 18.2697 179.4125 36 D 4.3104 8.0217 117.2588 57.6586 40.8942 179.2290 37 I 3.7574 7.7213 119.6045 64.2405 37.0466 178.3262 38 A 4.0852 8.2185 121.8065 54.9124 18.0534 179.3285 39 E 3.7956 8.1878 117.8608 59.5145 29.7190 178.6922 40 S 4.0529 8.0276 113.1375 61.7142 62.3714 176.3215 41 I 3.7415 8.2690 122.5318 64.6430 36.8781 177.6865 42 H 4.0536 8.3809 119.1299 59.6868 29.4993 177.0164 43 D 4.4091 8.3951 120.6416 57.4271 40.6108 178.4956 44 H 4.2756 8.4395 117.0383 58.5568 28.7395 177.6231 45 A 4.0267 8.5353 123.0955 55.1428 18.1917 179.0910 46 D 4.3416 8.1352 116.5929 57.4901 41.1838 178.1408 47 E 3.9641 7.9999 119.9064 59.3611 29.5624 178.8716 48 I 3.7261 7.9412 119.8608 64.5056 37.1878 177.7768 49 Y 4.2697 8.4383 120.7990 60.7972 38.7625 178.4115 50 R 3.7106 8.4959 119.3687 59.3667 30.2345 179.1515 51 S 4.0337 8.3783 115.1022 61.6544 62.7620 176.4640 52 A 3.4873 8.3853 123.8035 54.7240 17.9717 179.5374 53 L 3.7419 7.6281 116.4224 58.4305 41.8566 179.4344 54 A 3.9708 7.5431 119.1947 54.4186 18.3206 178.8559 55 R 3.8125 7.7790 117.1322 58.9195 30.3359 176.8481 56 F 4.7674 7.9426 120.6301 57.6844 39.1092 175.4911 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 G 8.20 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 0.00 0.00 0.00 2 T 8.25 3.73 4.16 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 1.16 0.00 0.00 3 K 8.77 3.80 0.00 1.80 1.81 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.51 7.81 4 Q 7.86 3.99 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 5 E 7.66 3.44 0.00 1.83 1.42 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 1.47 1.68 0.00 6 K 8.62 4.00 0.00 1.89 1.85 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.60 7.81 7 T 7.79 3.85 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 1.23 0.00 0.00 8 I 7.85 3.79 2.26 0.00 0.00 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 1.63 0.98 1.10 0.00 0.00 9 L 8.26 4.21 0.00 1.96 1.90 1.22 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.67 4.50 0.00 2.82 2.88 0.00 0.00 7.11 7.21 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 11 M 8.57 4.13 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.75 0.00 12 A 7.80 4.07 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.83 3.34 0.00 1.60 1.94 0.00 3.04 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.00 14 F 8.31 4.11 0.00 3.16 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 15 I 8.31 3.81 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.72 0.89 0.00 0.00 16 R 7.59 3.81 0.00 1.81 1.84 0.00 2.95 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 17 S 7.67 4.01 0.00 3.88 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 18 Q 7.53 3.71 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.98 1.55 0.00 19 A 8.28 3.97 1.45 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 0.00 0.00 20 L 7.72 3.96 0.00 1.88 1.68 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.02 3.92 4.33 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 1.18 0.00 0.00 22 I 7.60 3.75 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.83 0.90 0.00 0.00 23 L 8.02 3.91 0.00 1.72 1.81 0.95 0.83 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 24 E 8.24 3.95 0.00 2.15 1.96 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 2.46 2.47 0.00 25 K 7.94 4.02 0.00 1.74 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.65 7.81 26 A 8.23 3.95 1.45 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 0.00 0.00 27 N 8.14 4.28 0.00 2.75 2.87 0.00 0.00 7.12 7.82 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 28 E 7.67 3.98 0.00 2.07 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 2.60 0.00 29 L 7.54 4.21 0.00 1.64 1.70 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.48 4.36 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.88 4.35 1.29 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 0.00 0.00 32 D 8.20 4.38 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 3.99 0.00 2.01 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 0.00 2.39 2.39 0.00 34 I 7.72 3.73 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.58 0.90 0.00 0.00 35 A 8.05 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.31 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 3.76 1.87 0.00 0.00 0.86 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 0.74 0.92 0.00 0.00 38 A 8.22 4.09 1.39 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 39 E 8.19 3.80 0.00 2.09 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 0.00 2.28 2.51 0.00 40 S 8.03 4.05 0.00 3.96 4.08 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 0.00 0.00 0.00 0.00 41 I 8.27 3.74 2.02 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 1.43 0.56 0.92 0.00 0.00 42 H 8.38 4.05 0.00 3.16 3.59 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.40 4.41 0.00 2.79 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 44 H 8.44 4.28 0.00 3.17 3.34 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.54 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.14 4.34 0.00 2.80 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 47 E 8.00 3.96 0.00 2.27 2.05 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 2.32 2.40 0.00 48 I 7.94 3.73 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.78 0.98 0.00 0.00 49 Y 8.44 4.27 0.00 3.02 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 50 R 8.50 3.71 0.00 1.98 1.89 0.00 3.20 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 51 S 8.38 4.03 0.00 3.91 3.82 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 0.00 0.00 0.00 52 A 8.39 3.49 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.63 3.74 0.00 1.56 1.59 0.40 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.54 3.97 1.26 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 0.00 0.00 55 R 7.78 3.81 0.00 1.59 1.10 0.00 3.03 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 56 F 7.94 4.77 0.00 3.04 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