NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9885 8.2127 109.7430 45.2668 0.0000 173.9019 2 I 3.3368 8.0023 118.9568 62.4147 37.7114 172.9285 3 V 3.5195 7.4447 119.1207 65.9892 31.7056 177.3347 4 E 4.0145 8.0196 115.4953 59.3554 29.6198 178.3291 5 Q 4.1670 8.1793 119.9713 58.2442 29.2432 175.8084 6 C 5.1342 8.0337 112.7441 55.8665 41.5890 173.9562 7 C 4.5074 8.0158 116.2839 59.8926 28.1943 173.4371 8 T 4.4082 7.8151 113.8931 64.8858 70.7257 174.1409 9 S 4.6715 7.6490 116.9124 56.8136 64.3176 173.9344 10 I 3.8547 8.1827 125.8885 61.4831 37.4881 176.2868 11 C 4.8474 8.5948 122.9892 55.9521 42.1607 174.4720 12 S 4.4836 9.0775 119.9780 58.0276 64.7151 175.4654 13 L 4.0273 8.4806 122.0973 58.2036 41.0988 179.1494 14 Y 4.1446 8.0189 118.0616 60.8742 38.9523 177.7639 15 Q 3.9673 8.2054 118.8986 58.8867 28.7776 178.6713 16 L 4.2111 8.1604 120.0522 57.8043 41.5901 179.2996 17 E 3.9580 8.2129 118.5721 59.3670 29.0924 178.9705 18 N 4.1108 7.4858 115.7623 55.6678 38.3538 175.8008 19 Y 4.3735 7.8554 116.6515 57.2843 38.3638 175.3999 20 C 4.4094 7.3156 118.2423 59.3869 29.0269 173.4991 21 N 4.5303 8.5560 118.0243 53.7707 38.1865 175.3376 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 8.00 3.34 0.70 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.23 0.65 0.00 0.00 3 V 7.44 3.52 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.87 0.00 0.00 4 E 8.02 4.01 0.00 2.16 2.07 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 2.50 2.38 0.00 5 Q 8.18 4.17 0.00 2.23 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 6 C 8.03 5.13 0.00 3.01 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 8.02 4.51 0.00 3.10 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 8 T 7.82 4.41 4.24 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 1.21 0.00 0.00 9 S 7.65 4.67 0.00 3.89 3.78 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 10 I 8.18 3.85 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.47 0.92 0.00 0.00 11 C 8.59 4.85 0.00 2.98 3.06 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 0.00 0.00 0.00 12 S 9.08 4.48 0.00 4.12 4.07 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 13 L 8.48 4.03 0.00 1.77 1.82 0.95 0.70 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 8.02 4.14 0.00 2.95 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 3.97 0.00 2.40 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 16 L 8.16 4.21 0.00 1.91 1.76 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.21 3.96 0.00 2.09 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 2.33 2.51 0.00 18 N 7.49 4.11 0.00 2.44 2.42 0.00 0.00 6.98 7.31 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 19 Y 7.86 4.37 0.00 3.19 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 20 C 7.32 4.41 0.00 3.02 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.53 0.00 2.72 2.73 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