NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8813 8.3544 109.7271 45.6022 0.0000 174.3979 2 I 3.7631 7.7870 120.8684 60.5451 39.1455 170.7108 3 V 4.1606 7.2122 111.9705 60.9962 33.6727 176.9378 4 E 3.6136 7.9140 117.8849 58.7256 29.5875 177.6211 5 Q 4.4178 7.9416 115.3539 57.8707 30.1883 178.2677 6 C 3.7318 8.2249 115.9245 59.0964 40.2884 174.6740 7 C 4.1898 8.5682 115.6021 60.4675 28.3777 173.6955 8 T 4.4988 8.7476 113.9440 62.8045 70.3717 174.5329 9 S 4.4484 8.1837 110.1502 58.0615 62.4311 175.8476 10 I 4.6831 8.5438 118.0826 60.4942 41.5941 174.0699 11 C 4.8786 8.0912 116.5576 55.9613 45.1682 174.3413 12 S 4.1254 8.2837 117.7922 57.4289 63.8719 174.7478 13 L 3.7477 8.0070 125.4596 58.5662 41.3477 178.9834 14 Y 4.1192 6.5174 117.0138 59.9849 37.7400 178.1390 15 Q 4.0124 7.7617 119.4887 58.8206 28.8212 178.2848 16 L 3.5249 7.8564 121.3612 57.1784 41.3523 178.6274 17 E 4.0580 7.3579 117.9630 59.0914 29.4699 178.3114 18 N 4.3380 7.3592 115.2594 55.0233 39.2200 174.8355 19 Y 5.0394 7.3691 119.3302 58.0518 37.9554 175.9599 20 C 4.7804 7.9868 115.9091 59.7508 31.5863 174.6255 21 N 4.6229 8.1338 120.2479 53.2940 38.7621 174.0511 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 8.35 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.79 3.76 1.55 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 -0.36 0.68 0.00 0.00 3 V 7.21 4.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.87 0.00 0.00 4 E 7.91 3.61 0.00 2.05 2.09 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 2.31 2.33 0.00 5 Q 7.94 4.42 0.00 2.25 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 6 C 8.22 3.73 0.00 2.99 3.24 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 7 C 8.57 4.19 0.00 3.04 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 8 T 8.75 4.50 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 1.23 0.00 0.00 9 S 8.18 4.45 0.00 3.99 3.35 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 10 I 8.54 4.68 1.86 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 1.41 0.82 0.89 0.00 0.00 11 C 8.09 4.88 0.00 2.92 2.93 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 12 S 8.28 4.13 0.00 2.72 3.64 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 13 L 8.01 3.75 0.00 1.58 1.51 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 6.52 4.12 0.00 3.20 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.76 4.01 0.00 2.32 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 16 L 7.86 3.52 0.00 1.81 1.72 1.18 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.36 4.06 0.00 1.94 2.20 0.00 0.00 0.00 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 2.32 0.00 18 N 7.36 4.34 0.00 2.46 2.63 0.00 0.00 6.85 7.36 0.00 0.00 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 Y 7.37 5.04 0.00 2.97 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 20 C 7.99 4.78 0.00 2.90 2.92 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 0.00 0.00 0.00 21 N 8.13 4.62 0.00 2.67 2.68 0.00 0.00 6.75 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00