NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8008 8.0549 120.3879 61.6845 32.1122 175.5126 2 Q 3.0728 9.5655 122.4796 55.6848 27.5044 172.2555 3 C 4.7599 8.1799 120.3728 53.8102 43.8227 172.3135 4 P 4.3147 0.0000 0.0000 62.9697 31.3944 176.8188 5 H 4.0530 9.1019 118.9902 59.2869 28.4113 177.4576 6 F 4.8370 8.0138 116.5387 59.0209 37.5379 177.9249 7 C 3.8742 7.2551 117.4184 59.6171 39.9093 174.1302 8 Y 4.5119 6.9359 115.3556 58.5328 38.3151 175.5379 9 E 4.3243 7.7904 120.4853 55.7660 30.9420 173.4050 10 L 3.8695 8.2963 125.4111 55.0402 43.0623 174.4008 11 D 4.7821 8.1460 123.8951 51.4110 39.5748 175.5182 12 Y 4.5313 6.9465 117.6136 57.4143 41.7836 173.5332 13 E 3.6732 7.2906 125.9158 54.6607 28.1705 175.8857 14 L 4.1661 7.9974 124.5138 57.8102 42.7462 178.0288 15 C 4.6937 7.9795 114.8716 54.9762 37.4087 171.2844 16 P 4.5947 0.0000 0.0000 62.5663 31.6762 177.4440 17 D 4.5392 9.0698 120.6758 58.0090 40.4720 179.6231 18 V 3.5698 7.8597 117.3427 65.7202 31.3092 178.4218 19 C 4.2776 8.0372 116.7240 59.9069 39.7297 175.2254 20 Y 4.1659 7.0836 114.4332 57.9588 37.3487 176.7713 21 V 3.6449 7.6946 126.0725 63.4422 33.1526 172.7114 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 V 8.05 3.80 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 0.96 0.00 0.00 0.91 0.00 0.00 2 Q 9.57 3.07 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 3 C 8.18 4.76 0.00 2.68 2.44 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 4 P 0.00 4.31 0.00 2.02 2.15 0.00 3.39 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.79 0.00 5 H 9.10 4.05 0.00 3.30 3.53 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.01 4.84 0.00 3.18 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 7.26 3.87 0.00 1.87 2.14 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.94 4.51 0.00 3.00 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 9 E 7.79 4.32 0.00 2.27 2.01 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 2.43 2.57 0.00 10 L 8.30 3.87 0.00 1.87 1.79 0.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.15 4.78 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.95 4.53 0.00 2.83 2.82 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 13 E 7.29 3.67 0.00 1.32 1.14 0.00 0.00 0.00 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 1.54 0.00 14 L 8.00 4.17 0.00 1.80 1.88 1.23 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 15 C 7.98 4.69 0.00 2.72 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 16 P 0.00 4.59 0.00 2.13 1.96 0.00 3.49 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 17 D 9.07 4.54 0.00 2.74 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.86 3.57 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 0.74 0.00 0.00 0.90 0.00 0.00 19 C 8.04 4.28 0.00 2.24 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.08 4.17 0.00 2.96 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 21 V 7.69 3.64 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 0.68 0.00 0.00 0.98 0.00 0.00