NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9960 8.2127 109.7433 45.4739 0.0000 173.5193 2 I 3.3277 8.1034 118.8588 62.6023 37.6548 173.6922 3 V 3.5269 8.3658 120.1305 65.8981 31.6755 177.3366 4 E 3.9657 8.0078 116.9335 59.3804 29.4703 178.6236 5 Q 4.1591 8.2598 118.8451 58.6200 29.3235 176.5998 6 C 5.1144 8.1906 114.9869 55.9379 41.8243 174.1682 7 C 4.2834 7.9033 117.0707 60.2272 28.7029 175.0058 8 T 4.1908 7.8900 116.4723 65.1986 68.5212 174.7801 9 S 4.8524 7.4863 114.6436 55.8489 65.8136 173.2052 10 I 4.0210 8.1780 122.6729 61.6113 37.3510 176.3717 11 C 4.9428 8.5435 123.1029 55.5115 42.8737 174.4703 12 S 4.4667 9.1950 119.8841 57.8137 64.8868 175.3744 13 L 3.9196 8.2977 121.9678 58.3495 40.9989 179.4623 14 Y 4.3171 7.4559 115.1984 61.1914 38.1644 178.2374 15 Q 4.2073 8.1150 118.6930 59.0236 28.8185 178.7175 16 L 4.3223 8.2119 119.9315 57.6386 41.6029 179.0107 17 E 4.0155 8.2997 119.0392 58.8177 29.2556 178.3590 18 N 4.3000 7.9390 115.6493 55.8518 38.3372 175.6294 19 Y 4.4879 7.8923 116.7332 57.2437 38.3229 175.3774 20 C 4.3414 7.2143 118.3015 59.4517 28.9894 173.5304 21 N 4.5463 8.5915 118.1278 53.7848 38.1469 175.2918 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 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.33 0.78 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.47 0.66 0.00 0.00 3 V 8.37 3.53 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 0.99 0.00 0.00 0.87 0.00 0.00 4 E 8.01 3.97 0.00 2.10 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 2.32 2.43 0.00 5 Q 8.26 4.16 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 6 C 8.19 5.11 0.00 3.01 3.05 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 0.00 0.00 0.00 0.00 7 C 7.90 4.28 0.00 3.13 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 7.89 4.19 4.25 0.00 0.00 0.00 0.00 0.00 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 7.49 4.85 0.00 3.97 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 10 I 8.18 4.02 1.88 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 0.54 0.91 0.00 0.00 11 C 8.54 4.94 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 9.19 4.47 0.00 4.02 4.04 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 13 L 8.30 3.92 0.00 1.34 1.59 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.46 4.32 0.00 3.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.21 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 16 L 8.21 4.32 0.00 1.89 1.80 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.30 4.02 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 18 N 7.94 4.30 0.00 2.52 2.41 0.00 0.00 6.95 7.47 0.00 0.00 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 7.89 4.49 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 7.21 4.34 0.00 3.01 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.55 0.00 2.73 2.74 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