NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9842 8.2127 109.7437 45.2908 0.0000 173.6782 2 I 2.9099 7.8071 117.4946 62.9201 37.4216 173.1909 3 V 3.4707 7.6659 119.0001 65.8878 31.8067 176.9887 4 E 3.9136 8.0627 118.5758 59.5013 29.3019 178.6423 5 Q 4.0721 8.1198 116.9705 58.2190 28.9772 176.8232 6 C 4.8369 8.4886 115.4097 56.7947 42.0588 174.3255 7 C 4.4189 7.7676 118.7091 61.4885 32.3649 174.8405 8 T 4.0199 8.2728 115.2673 66.1249 68.3370 174.3032 9 S 5.0170 7.3863 116.5939 56.7542 65.4022 172.7316 10 I 4.5399 8.1585 120.8878 60.4606 39.5596 175.5313 11 C 5.0052 8.5572 122.0498 55.5523 42.9510 174.5268 12 S 4.4825 8.9277 119.5649 57.2851 65.1214 175.1784 13 L 3.7591 8.0655 122.9821 58.7402 41.3602 178.6039 14 Y 4.2622 6.9362 114.6854 61.1341 38.1693 178.0567 15 Q 4.3155 8.2491 119.2255 58.8163 28.8316 178.3530 16 L 4.2089 8.2138 121.5679 58.2429 42.1657 178.6556 17 E 4.1679 8.3689 117.7101 58.4019 29.1683 178.4287 18 N 4.3773 7.6712 115.5651 55.0435 38.4997 174.9787 19 Y 4.5797 7.4428 116.6703 57.7467 38.4405 175.5781 20 C 4.5143 7.6316 118.1774 59.0354 29.2503 173.5653 21 N 4.5440 8.5620 118.0383 53.7628 38.2204 175.3469 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 3.98 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 0.00 0.00 0.00 2 I 7.81 2.91 0.56 0.00 0.00 0.55 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 0.94 0.63 0.00 0.00 3 V 7.67 3.47 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.86 0.00 0.00 4 E 8.06 3.91 0.00 2.07 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 0.00 2.39 2.41 0.00 5 Q 8.12 4.07 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.70 2.70 0.00 6 C 8.49 4.84 0.00 2.93 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 7 C 7.77 4.42 0.00 2.88 3.10 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 0.00 0.00 0.00 8 T 8.27 4.02 4.42 0.00 0.00 0.00 0.00 0.00 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 7.39 5.02 0.00 4.05 3.82 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 10 I 8.16 4.54 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 0.61 0.91 0.00 0.00 11 C 8.56 5.01 0.00 2.97 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 12 S 8.93 4.48 0.00 4.01 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 3.76 0.00 1.49 0.99 0.83 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 6.94 4.26 0.00 3.05 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 15 Q 8.25 4.32 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 16 L 8.21 4.21 0.00 1.79 1.86 0.98 0.87 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 17 E 8.37 4.17 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 2.35 2.57 0.00 18 N 7.67 4.38 0.00 2.21 2.34 0.00 0.00 6.77 7.79 0.00 0.00 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 7.44 4.58 0.00 3.10 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 20 C 7.63 4.51 0.00 3.08 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 4.54 0.00 2.72 2.74 0.00 0.00 6.82 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00