NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1593 8.0249 121.4498 61.7668 39.5756 177.0341 2 C 4.2848 7.8589 121.7363 58.9512 26.1103 168.4870 3 E 4.3937 7.8490 121.9602 54.7873 31.4468 176.9450 4 E 4.1890 8.7824 120.5486 56.6806 29.7362 176.7680 5 P 4.3407 0.0000 0.0000 66.0849 31.0567 178.5470 6 T 3.8519 8.3616 116.5160 67.0220 68.4264 176.2429 7 C 3.9254 8.2361 118.0428 62.8784 27.9783 176.2519 8 R 3.8460 8.0532 120.2190 59.6460 29.6944 178.0163 9 N 4.2467 7.8791 116.1902 56.7791 38.5160 177.4835 10 R 4.1844 8.7369 119.0815 58.9114 29.9537 179.1865 11 T 3.8938 8.0183 115.8792 66.2896 68.5053 176.0226 12 R 3.9929 7.8418 119.8975 60.2337 30.3746 177.9749 13 H 4.3572 8.4365 115.5975 58.1148 28.3246 177.2533 14 L 3.9292 7.7990 122.9039 57.9898 41.8014 177.5223 15 P 4.4783 0.0000 0.0000 63.1653 30.8212 177.5717 16 L 4.4202 7.6657 123.4983 53.9813 40.7124 177.0252 17 Q 4.9395 7.5345 122.9725 53.7393 28.0837 176.4338 18 F 4.4245 8.4721 121.4840 61.4795 39.4217 177.2850 19 S 4.3240 8.1469 116.3620 58.3677 63.2189 173.3892 20 R 4.4465 8.3109 125.3320 55.3109 29.6848 175.2780 21 T 3.6976 7.8216 117.8826 61.4680 67.7205 174.3624 22 G 4.1437 7.7875 106.3778 44.2257 0.0000 171.5146 23 P 4.8771 0.0000 0.0000 61.2098 31.0838 174.9640 24 L 4.7525 7.5312 121.8526 53.7514 45.2585 175.7364 25 C 4.9024 8.0659 122.5064 55.9023 31.8505 170.4512 26 P 4.2422 0.0000 0.0000 62.9950 31.3207 177.0695 27 A 4.6783 8.1492 127.6681 51.0584 19.2754 176.1977 28 C 4.1495 8.1621 116.3404 59.8113 30.2363 174.9504 29 M 4.3178 8.3064 129.8374 53.7382 30.5715 177.9540 30 K 4.2119 7.1472 117.8601 55.2500 35.6427 177.1740 31 A 4.0598 8.7091 126.0406 52.6367 18.5919 176.6744 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 I 8.02 4.16 1.86 0.00 0.00 0.85 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 1.06 0.91 0.00 0.00 2 C 7.86 4.28 0.00 3.15 2.90 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 0.00 0.00 0.00 3 E 7.85 4.39 0.00 2.02 1.87 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 2.36 2.28 0.00 4 E 8.78 4.19 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 5 P 0.00 4.34 0.00 2.28 2.36 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 6 T 8.36 3.85 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 7 C 8.24 3.93 0.00 2.96 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.05 3.85 0.00 1.89 2.08 0.00 3.11 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 9 N 7.88 4.25 0.00 2.92 2.90 0.00 0.00 7.50 7.92 0.00 0.00 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 R 8.74 4.18 0.00 1.84 2.01 0.00 3.13 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 11 T 8.02 3.89 4.41 0.00 0.00 0.00 0.00 0.00 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 12 R 7.84 3.99 0.00 1.79 2.12 0.00 3.33 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 13 H 8.44 4.36 0.00 3.20 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.80 3.93 0.00 1.66 1.86 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.48 0.00 2.19 2.05 0.00 3.95 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 16 L 7.67 4.42 0.00 1.84 1.81 1.04 0.87 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 Q 7.53 4.94 0.00 2.36 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 18 F 8.47 4.42 0.00 2.92 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 19 S 8.15 4.32 0.00 3.94 3.93 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 20 R 8.31 4.45 0.00 1.73 1.84 0.00 3.45 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 21 T 7.82 3.70 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 1.31 0.00 0.00 22 G 7.79 4.14 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 0.00 0.00 0.00 23 P 0.00 4.88 0.00 2.25 2.05 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 24 L 7.53 4.75 0.00 1.70 1.89 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.07 4.90 0.00 3.14 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 26 P 0.00 4.24 0.00 2.22 2.08 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 27 A 8.15 4.68 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.16 4.15 0.00 3.09 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 29 M 8.31 4.32 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 30 K 7.15 4.21 0.00 1.78 1.66 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.47 7.81 31 A 8.71 4.06 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