NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2067 8.1233 123.5764 52.3338 18.9947 177.0844 2 C 4.5174 8.2916 120.7723 56.3383 41.7554 171.6224 3 Q 4.5316 8.5542 117.0761 55.9061 29.2341 174.8895 4 A 4.9546 7.4085 119.2512 50.2864 22.1836 177.6617 5 F 4.3894 8.1437 117.4896 56.3518 43.6708 174.9595 6 Y 3.7580 8.5213 119.2545 58.9894 34.9652 171.8182 7 A 4.0245 8.3544 124.7154 55.4069 18.5339 179.9792 8 S 4.2891 8.1206 107.5860 60.0479 63.0690 174.7585 9 S 4.5780 8.0833 118.2938 55.3964 63.1907 172.6423 10 P 4.2746 0.0000 0.0000 64.5206 31.0834 177.3279 11 R 4.4492 7.8830 116.5650 56.0166 31.7266 175.5801 12 K 4.4010 8.1734 117.4896 56.1228 32.3962 175.6675 13 S 4.9326 7.8993 112.4558 58.6090 64.4362 173.5052 14 I 4.6313 8.9346 123.4673 60.0142 40.1435 174.0387 15 H 5.1153 9.0236 124.7962 54.4755 29.2310 175.0791 16 I 3.9956 9.1574 126.3792 64.0543 37.8547 176.2290 17 G 3.9284 7.4849 107.0561 45.1162 0.0000 172.3671 18 A 4.1178 8.5639 122.0748 51.8950 18.9040 178.3366 19 C 4.2614 8.6737 121.0469 57.2779 44.5299 173.4908 20 A 4.1746 8.6852 127.5904 52.7969 18.8277 176.7190 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 4.21 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.52 0.00 2.94 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 3 Q 8.55 4.53 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 4 A 7.41 4.95 0.95 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 5 F 8.14 4.39 0.00 3.03 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 6 Y 8.52 3.76 0.00 3.37 3.07 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 7 A 8.35 4.02 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 8.12 4.29 0.00 4.02 4.02 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 9 S 8.08 4.58 0.00 4.06 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 10 P 0.00 4.27 0.00 2.19 2.23 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 11 R 7.88 4.45 0.00 1.74 1.94 0.00 3.25 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 12 K 8.17 4.40 0.00 1.64 1.72 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.77 1.04 7.81 13 S 7.90 4.93 0.00 4.00 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 14 I 8.93 4.63 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.35 1.01 0.00 0.00 15 H 9.02 5.12 0.00 3.03 3.31 0.00 5.89 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 9.16 4.00 2.31 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.40 1.08 0.00 0.00 17 G 7.48 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.12 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 19 C 8.67 4.26 0.00 2.94 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 20 A 8.69 4.17 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