NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2834 8.4293 120.2258 56.2730 30.8707 176.4431 2 T 4.0386 8.1934 114.2301 60.5685 71.2508 172.9763 3 R 4.0707 8.5814 119.2051 59.3860 30.0193 179.2768 4 E 4.0272 8.1013 118.8994 59.1859 29.5754 178.5915 5 Q 4.0750 7.9024 118.4208 58.6910 28.7007 178.6711 6 R 3.8712 7.7532 118.7169 59.2971 30.1528 178.3486 7 A 4.0461 7.7279 119.4790 55.0390 18.2289 179.8161 8 I 3.6338 7.5164 117.9918 64.5917 37.2096 178.0892 9 R 3.8969 7.4927 118.3864 59.5972 30.0202 178.1632 10 L 4.1402 8.1398 119.0654 58.3062 40.3390 179.0207 11 A 4.0191 7.7789 121.1088 54.5578 18.5057 179.4035 12 R 4.5782 7.5459 114.3911 56.1695 30.7551 177.9124 13 M 4.4046 7.3421 119.4027 56.1245 29.7506 176.9706 14 S 4.3471 7.9818 119.8234 58.8756 64.8707 175.0909 15 A 4.1634 8.7076 126.5923 53.6139 15.2457 177.1870 16 Y 4.1697 7.6199 118.0382 60.1289 43.1995 172.9961 17 A 3.8724 8.8751 121.9622 52.0380 17.1348 177.5408 18 A 4.6447 8.3800 118.5143 52.7470 19.5491 178.8697 19 R 4.3027 7.2156 117.7553 59.5591 31.0960 177.6758 20 R 4.5106 7.3540 115.5387 55.5550 30.9745 172.2947 21 L 4.2982 7.7842 121.0411 53.5777 45.7089 174.4140 22 A 3.4292 9.1641 128.5532 52.8557 15.2554 176.7823 23 N 4.5327 8.4883 116.3455 54.3204 38.7121 174.7332 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 E 8.43 4.28 0.00 1.97 1.95 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 2.35 2.30 0.00 2 T 8.19 4.04 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 3 R 8.58 4.07 0.00 1.86 1.95 0.00 3.34 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 4 E 8.10 4.03 0.00 2.12 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 2.37 2.46 0.00 5 Q 7.90 4.07 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 6 R 7.75 3.87 0.00 1.91 1.97 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 7 A 7.73 4.05 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 8 I 7.52 3.63 2.01 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 1.52 0.72 0.91 0.00 0.00 9 R 7.49 3.90 0.00 1.74 1.97 0.00 3.24 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 10 L 8.14 4.14 0.00 1.97 1.90 0.99 0.44 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 11 A 7.78 4.02 1.44 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 12 R 7.55 4.58 0.00 1.82 1.94 0.00 3.18 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 13 M 7.34 4.40 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 14 S 7.98 4.35 0.00 3.95 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 15 A 8.71 4.16 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 16 Y 7.62 4.17 0.00 3.01 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.88 3.87 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 18 A 8.38 4.64 1.25 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 0.00 0.00 0.00 19 R 7.22 4.30 0.00 1.78 1.98 0.00 3.37 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 20 R 7.35 4.51 0.00 1.71 1.78 0.00 3.21 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 21 L 7.78 4.30 0.00 1.58 1.29 -0.35 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 22 A 9.16 3.43 1.27 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 0.00 0.00 0.00 23 N 8.49 4.53 0.00 2.86 2.79 0.00 0.00 7.02 7.56 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