NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9949 8.2127 109.7450 45.2179 0.0000 174.0562 2 I 3.4502 7.9616 117.6501 63.0445 37.5301 172.7171 3 V 3.4688 7.8240 119.1095 65.7447 31.8841 177.0732 4 E 3.9209 8.0715 118.7772 59.3450 29.3897 178.6185 5 Q 4.1310 7.9109 116.7759 58.1504 28.9799 176.7880 6 C 4.8412 8.8691 115.3856 56.6738 41.9392 174.0678 7 C 4.4276 7.8269 118.2235 60.9006 32.4716 174.7512 8 A 4.1274 8.1620 121.3581 54.1364 18.0744 176.8060 9 S 4.7608 7.3175 107.8118 56.0033 66.3549 173.6616 10 V 3.7058 8.0916 120.1827 62.7103 31.6900 176.2127 11 C 4.6827 8.5101 126.9898 56.2408 39.5544 172.1552 12 S 4.7394 7.9791 115.3295 55.9388 66.7260 174.5918 13 L 4.0444 8.4805 123.0584 58.0755 41.5917 178.0123 14 Y 3.9966 8.0478 118.5792 60.6972 39.1669 177.5741 15 Q 4.2741 7.9975 118.9823 59.2944 29.2002 178.0322 16 L 4.1451 7.8793 119.6455 58.1318 41.7069 179.5089 17 E 4.0490 8.4705 117.9959 58.8965 29.0914 178.7023 18 N 4.2892 7.6728 114.9774 54.7585 38.6263 175.1602 19 Y 4.4399 7.7664 116.7542 57.6872 38.6193 175.5807 20 C 4.5104 7.4392 117.8001 59.0383 29.2968 173.5643 21 N 4.5198 8.5257 117.8338 53.7346 38.2565 175.3969 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 3.99 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 0.00 0.00 0.00 2 I 7.96 3.45 0.79 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.18 0.61 0.00 0.00 3 V 7.82 3.47 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 1.04 0.00 0.00 0.87 0.00 0.00 4 E 8.07 3.92 0.00 2.29 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 5 Q 7.91 4.13 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 6 C 8.87 4.84 0.00 3.01 3.09 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 7 C 7.83 4.43 0.00 2.88 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 4.13 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.32 4.76 0.00 4.07 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 3.71 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 0.79 0.00 0.00 0.93 0.00 0.00 11 C 8.51 4.68 0.00 3.14 3.01 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 12 S 7.98 4.74 0.00 4.08 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.04 0.00 1.82 1.76 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.05 4.00 0.00 3.03 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.27 0.00 2.41 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.55 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 16 L 7.88 4.15 0.00 1.98 1.76 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.47 4.05 0.00 1.99 1.90 0.00 0.00 0.00 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 2.34 0.00 18 N 7.67 4.29 0.00 2.67 2.28 0.00 0.00 6.84 6.78 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 19 Y 7.77 4.44 0.00 3.09 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 C 7.44 4.51 0.00 3.03 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.52 0.00 2.71 2.72 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00