NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2361 8.1233 123.5773 52.2351 19.4614 180.6344 2 C 4.6196 9.1374 117.0907 56.3615 42.0970 171.4262 3 Q 4.4388 8.5344 118.8100 55.2588 28.7207 174.9826 4 A 4.8677 7.2119 119.6352 50.0571 21.9900 177.6058 5 F 4.4889 8.2163 119.4112 56.2672 42.9245 175.3608 6 Y 3.7764 8.4639 118.0257 58.9646 35.0364 171.5541 7 A 4.2544 8.2670 124.2103 54.7142 18.4170 179.3709 8 S 4.5327 7.9969 108.3334 58.9330 63.8929 174.9848 9 S 4.5876 8.3280 118.3722 55.3993 63.6498 172.4601 10 P 4.2855 0.0000 0.0000 65.6447 31.5190 179.0246 11 R 3.9331 8.0844 114.8771 58.6661 30.0132 177.5004 12 K 4.2718 7.9319 116.6448 56.3856 32.7591 176.6066 13 S 5.3363 7.4681 112.6594 58.7830 64.1779 174.0986 14 I 4.5401 8.4172 121.6058 60.1276 40.3668 174.2024 15 H 4.8856 8.9661 125.4575 54.8125 28.6920 175.3856 16 I 4.1340 8.9438 126.1116 63.4264 37.9703 176.1633 17 G 3.9762 7.7476 107.8366 44.3450 0.0000 172.5046 18 A 4.0737 8.4295 122.2393 52.1118 18.8001 178.2243 19 C 4.3330 8.5489 120.2116 56.6668 44.6076 173.5492 20 A 4.1059 8.8022 126.0638 52.7882 18.8298 177.2070 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 A 8.12 4.24 1.09 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 2 C 9.14 4.62 0.00 2.96 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 3 Q 8.53 4.44 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 4 A 7.21 4.87 1.02 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 0.00 0.00 5 F 8.22 4.49 0.00 3.02 2.61 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 6 Y 8.46 3.78 0.00 3.25 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 7 A 8.27 4.25 1.24 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 0.00 0.00 0.00 8 S 8.00 4.53 0.00 4.01 4.01 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 0.00 0.00 0.00 9 S 8.33 4.59 0.00 3.85 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 0.00 10 P 0.00 4.29 0.00 2.19 2.16 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 11 R 8.08 3.93 0.00 1.79 2.00 0.00 3.36 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 12 K 7.93 4.27 0.00 1.64 1.89 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.99 1.06 7.81 13 S 7.47 5.34 0.00 3.93 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 0.00 14 I 8.42 4.54 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 1.04 0.00 0.00 15 H 8.97 4.89 0.00 3.06 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.94 4.13 2.18 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 1.25 0.64 1.06 0.00 0.00 17 G 7.75 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 0.00 0.00 0.00 0.00 18 A 8.43 4.07 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 C 8.55 4.33 0.00 2.93 2.98 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 0.00 20 A 8.80 4.11 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