NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9498 8.2127 109.7444 45.6789 0.0000 175.3162 2 I 3.5614 7.6839 121.0864 61.1117 39.2519 170.6653 3 V 3.6544 8.5570 120.0377 65.5193 31.1741 176.5704 4 E 4.5267 7.8278 118.0774 57.1456 30.4782 177.7835 5 Q 3.6967 7.6802 119.0290 58.5607 28.8038 176.9324 6 C 4.5611 8.3707 116.3397 57.7998 41.5796 174.7526 7 C 4.1160 7.4691 117.4791 60.7189 31.6465 174.3835 8 T 4.3100 8.9136 117.7731 64.5563 69.3783 173.8436 9 S 5.1189 7.2261 116.7361 57.0924 65.5693 173.0157 10 I 4.5903 8.2182 121.5629 60.4123 39.5065 173.7979 11 C 5.0177 8.3437 116.8663 52.8889 42.3726 174.6282 12 S 4.5598 8.4839 118.3313 57.6668 65.0832 174.9419 13 L 3.9742 8.6250 124.1434 58.4956 41.1891 178.9571 14 Y 4.8122 8.0847 118.6213 60.5988 39.0347 178.1441 15 Q 3.6989 7.8604 118.2552 58.6583 28.6632 178.5038 16 L 4.3359 8.4526 121.6039 57.7227 41.9696 178.3787 17 E 4.2543 8.9021 118.3955 58.3014 29.3407 177.6522 18 N 4.5791 7.6566 114.4450 54.1020 38.6852 174.8691 19 Y 4.3682 7.4691 117.5076 57.9680 38.9972 175.6019 20 C 4.5481 7.6627 117.6584 58.9923 29.8966 173.4739 21 N 4.5506 8.5155 116.8770 53.8378 38.3701 175.3117 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 8.21 3.95 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 0.00 2 I 7.68 3.56 1.31 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.04 0.74 0.00 0.00 3 V 8.56 3.65 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 0.94 0.00 0.00 0.89 0.00 0.00 4 E 7.83 4.53 0.00 2.02 1.93 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 2.29 2.18 0.00 5 Q 7.68 3.70 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 6 C 8.37 4.56 0.00 2.96 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 C 7.47 4.12 0.00 3.06 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 8 T 8.91 4.31 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 9 S 7.23 5.12 0.00 3.74 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.59 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 1.47 0.45 0.92 0.00 0.00 11 C 8.34 5.02 0.00 3.01 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 12 S 8.48 4.56 0.00 4.15 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 13 L 8.62 3.97 0.00 1.81 2.06 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.08 4.81 0.00 2.87 3.08 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 15 Q 7.86 3.70 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.50 0.00 0.00 0.00 0.00 0.00 2.14 2.46 0.00 16 L 8.45 4.34 0.00 1.91 1.72 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.90 4.25 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 18 N 7.66 4.58 0.00 2.52 2.33 0.00 0.00 6.39 6.51 0.00 0.00 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 7.47 4.37 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.55 0.00 3.02 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 21 N 8.52 4.55 0.00 2.69 2.72 0.00 0.00 6.67 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