NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4674 0.0000 0.0000 62.7097 33.0471 176.0938 3 C 4.3485 8.4077 125.8871 56.7499 29.6067 170.0042 4 E 3.9512 9.5956 118.1379 59.3008 30.3835 180.5700 5 K 4.5797 7.6194 117.2991 56.7315 32.5803 177.0633 6 C 4.7806 7.8132 112.4641 59.4817 31.3628 175.0635 7 T 4.2722 7.7772 111.2807 59.8649 67.6936 174.2764 8 S 4.7025 6.9049 122.9328 59.2488 64.7827 176.6039 9 G 4.2143 7.2442 106.8673 43.8493 0.0000 171.6402 10 C 4.8983 8.4264 118.0630 56.2100 32.4719 174.1932 11 K 3.8425 8.8576 122.3230 59.6867 32.0534 178.5839 12 C 4.1107 7.8768 114.7304 60.4332 24.7265 171.4275 13 P 4.4375 0.0000 0.0000 65.5654 31.4990 177.2602 14 S 4.8317 7.7107 112.0751 58.4487 70.0800 173.7752 15 K 4.6453 8.1461 118.5043 57.6061 40.0409 177.1094 16 D 4.3733 8.3085 117.1080 57.0479 40.7837 177.1035 17 E 4.3826 8.0897 116.2919 56.8660 30.3227 176.1097 18 C 4.2618 7.3310 119.7263 59.9341 32.2634 174.8095 19 A 3.7995 7.8114 125.6266 54.6013 18.5842 179.2928 20 K 4.1203 8.1869 114.2359 59.7872 32.1747 178.2408 21 T 4.3071 7.1552 111.9717 63.8720 69.1422 174.8513 22 C 4.6585 8.7796 120.7428 57.7714 29.1609 174.4371 23 S 4.4499 8.2771 125.4950 56.7532 61.5370 172.6613 24 K 4.1329 7.0136 118.4110 56.1079 36.1646 173.7162 25 P 4.4813 0.0000 0.0000 61.5446 30.3102 176.4281 26 C 3.7647 7.8632 116.7249 60.7442 28.6510 174.9525 27 S 4.8411 8.5667 123.5380 57.0497 59.8627 172.9081 28 C 5.0929 7.4426 120.4515 58.8252 32.9227 176.0286 29 C 4.4678 7.8391 118.4499 58.7626 29.3678 171.6102 30 P 4.6609 0.0000 0.0000 63.8409 29.8599 176.2837 31 T 4.1859 7.4161 112.0592 62.6397 68.8534 174.0527 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 2 P 0.00 4.47 0.00 2.22 2.25 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 C 8.41 4.35 0.00 3.18 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 4 E 9.60 3.95 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 5 K 7.62 4.58 0.00 1.78 1.80 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.44 7.81 6 C 7.81 4.78 0.00 2.93 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 7 T 7.78 4.27 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 1.29 0.00 0.00 8 S 6.90 4.70 0.00 3.86 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.24 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.43 4.90 0.00 3.03 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 11 K 8.86 3.84 0.00 1.77 1.89 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.46 7.81 12 C 7.88 4.11 0.00 3.03 3.07 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 P 0.00 4.44 0.00 2.17 2.17 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 14 S 7.71 4.83 0.00 3.83 3.87 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 15 K 8.15 4.65 0.00 1.76 1.76 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.38 7.81 16 D 8.31 4.37 0.00 2.61 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.09 4.38 0.00 2.02 1.96 0.00 0.00 0.00 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 2.21 0.00 18 C 7.33 4.26 0.00 2.97 2.78 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 19 A 7.81 3.80 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 4.12 0.00 1.87 1.88 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.57 7.81 21 T 7.16 4.31 4.39 0.00 0.00 0.00 0.00 0.00 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 22 C 8.78 4.66 0.00 2.87 2.82 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 23 S 8.28 4.45 0.00 3.83 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 24 K 7.01 4.13 0.00 1.77 1.72 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.19 1.21 7.81 25 P 0.00 4.48 0.00 2.17 2.09 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 26 C 7.86 3.76 0.00 3.00 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 27 S 8.57 4.84 0.00 3.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 C 7.44 5.09 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 29 C 7.84 4.47 0.00 3.01 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.66 0.00 2.17 2.11 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.21 0.00 31 T 7.42 4.19 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