NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4194 8.3349 115.3030 57.7155 63.7719 173.1356 8 D 4.5792 8.4293 127.3836 52.7223 42.4319 174.4692 9 F 5.2476 8.6661 115.2017 56.1758 41.8015 173.2912 10 V 4.5303 9.1907 112.0855 59.5159 35.2467 175.1629 11 V 4.7509 8.5974 124.7769 61.6433 33.2633 174.5076 12 I 4.9604 8.6752 128.8870 59.4842 40.2451 174.3228 13 K 5.0250 9.5579 129.5708 54.2276 34.7524 174.8981 14 A 4.5108 8.8426 130.2311 52.1310 19.0144 177.6117 15 L 4.5270 9.3769 123.0553 55.2898 42.4681 176.1715 16 E 4.6345 7.6507 115.3278 54.9863 32.2033 174.2871 17 D 4.5549 8.4857 119.2504 54.9038 41.3483 176.0063 18 G 3.9443 8.3202 107.1316 46.6515 0.0000 174.4810 19 V 3.9956 8.0814 118.9096 62.4302 33.3493 174.2245 20 N 5.2048 9.4938 124.1611 51.8708 42.1381 173.0538 21 V 4.5862 8.6784 127.0878 61.7335 33.0924 174.3979 22 I 4.9888 9.2414 130.1879 59.4940 40.2319 174.8582 23 G 4.3688 8.7249 113.2311 44.5848 0.0000 172.2249 24 L 5.4177 8.6221 125.6397 53.0678 43.8366 176.6229 25 T 4.6325 8.8785 113.9593 61.6429 69.4856 173.4301 26 R 4.8349 7.8190 122.8262 55.3659 31.9730 174.4642 27 G 3.7119 8.8323 108.8242 44.0422 0.0000 173.0706 28 A 4.0850 8.6845 120.9462 54.5318 18.5700 177.8956 29 D 4.9245 7.8262 114.0139 53.1321 42.7433 175.6058 30 T 4.8174 7.8807 118.8397 61.9401 70.8430 173.7138 31 R 4.6752 8.0141 120.4067 55.2521 33.0970 173.9477 32 F 5.1388 9.0355 116.3903 57.0052 38.7924 174.9099 33 H 4.6298 8.5051 114.7701 55.1993 29.8542 172.6974 34 H 4.6976 7.7624 117.7973 56.0247 33.2026 172.8552 35 S 4.5263 8.0570 117.9444 57.0416 64.6425 172.5059 36 E 4.3799 8.9603 130.0450 55.1203 30.6513 175.0662 37 K 4.7825 8.6384 128.5762 55.7122 33.7710 175.5009 38 L 4.8552 9.1853 126.6165 53.1272 44.9310 175.6211 39 D 5.0038 8.6832 122.8535 52.2280 43.4815 175.7764 40 K 3.9352 8.4360 121.3913 58.8154 32.1937 175.8062 41 G 4.1047 9.0162 115.3882 45.4219 0.0000 173.6243 42 E 4.1800 8.2424 119.4671 56.3069 30.6602 176.2257 43 V 4.8543 8.3454 123.1473 61.0184 34.0371 174.1916 44 L 4.6618 8.9693 130.0607 53.3824 44.3795 174.8461 45 I 4.8699 8.4631 127.2037 59.8289 38.4039 174.7636 46 A 4.8291 8.9663 128.4956 50.1230 22.7324 174.5064 47 Q 5.0704 8.4360 117.4153 53.7991 32.2464 175.5146 48 F 4.6237 8.4462 120.9898 57.9502 39.3752 175.2679 49 T 4.7552 8.6926 113.1257 60.0515 71.6543 173.8015 50 E 3.6867 8.9388 120.5862 59.2581 29.7879 177.6308 51 H 4.6303 7.8983 114.4709 56.0323 30.1303 174.2661 52 T 5.1374 8.4784 117.2413 61.7213 71.4175 174.4886 53 S 4.9351 8.8558 119.1123 57.9587 64.8576 173.2879 54 A 5.0795 7.8311 120.7108 51.4480 22.4693 175.4642 55 I 5.0981 8.5018 120.6488 59.5228 40.9360 174.5120 56 K 4.5612 9.2226 128.8954 54.6176 34.4284 174.7342 57 V 4.7921 8.3955 126.9181 61.2627 33.3874 174.6152 58 R 4.5166 8.7719 127.0631 54.7954 32.8205 174.8186 59 G 3.6493 8.7759 108.6024 43.6702 0.0000 173.2588 60 K 4.8145 9.2705 118.6730 54.7842 32.4176 176.3005 61 A 5.2736 8.7246 126.9884 50.0529 22.7863 173.8074 62 Y 4.7781 9.2119 122.5467 56.3878 40.6636 174.4828 63 I 5.0831 8.1515 127.0666 59.5372 41.1289 174.5005 64 Q 4.9602 9.2804 124.7382 54.3721 32.0278 174.8152 65 T 4.6233 8.7340 113.8486 59.2996 72.3035 174.8828 66 R 3.7395 8.5224 120.8721 60.0605 29.8753 176.9241 67 H 4.5035 7.7575 111.1548 56.3228 28.5073 173.8457 68 G 3.6999 7.8436 106.5998 44.1636 0.0000 173.4638 69 V 4.5198 7.8721 111.3216 60.6112 33.4166 175.8184 70 I 4.3858 7.8881 121.3129 60.1063 41.7657 172.9240 71 E 5.2425 8.7414 127.8665 54.7854 31.5052 175.3557 72 S 4.8141 9.2565 118.4463 56.7790 65.8784 174.3217 73 E 4.2714 8.5295 120.0901 56.6884 29.9297 175.9113 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 7 S 8.33 4.42 0.00 3.91 3.90 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 8 D 8.43 4.58 0.00 2.86 2.85 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 9 F 8.67 5.25 0.00 3.03 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 10 V 9.19 4.53 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 0.72 0.00 0.00 0.79 0.00 0.00 11 V 8.60 4.75 2.18 0.00 0.00 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 1.20 0.00 0.00 12 I 8.68 4.96 2.00 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 1.12 0.71 0.93 0.00 0.00 13 K 9.56 5.03 0.00 1.84 1.77 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.84 4.51 1.39 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 0.00 0.00 0.00 15 L 9.38 4.53 0.00 1.63 1.73 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.65 4.63 0.00 2.03 1.89 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 2.19 2.32 0.00 17 D 8.49 4.55 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.32 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 0.00 0.00 0.00 19 V 8.08 4.00 2.08 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 0.92 0.00 0.00 0.92 0.00 0.00 20 N 9.49 5.20 0.00 2.75 2.55 0.00 0.00 6.96 7.27 0.00 0.00 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 V 8.68 4.59 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 0.89 0.00 0.00 0.93 0.00 0.00 22 I 9.24 4.99 1.85 0.00 0.00 0.66 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 0.55 1.03 0.00 0.00 23 G 8.72 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.62 5.42 0.00 1.75 1.66 1.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.88 4.63 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 26 R 7.82 4.83 0.00 1.88 1.86 0.00 3.13 0.00 0.00 3.40 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 27 G 8.83 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.68 4.08 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.83 4.92 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.88 4.82 4.27 0.00 0.00 0.00 0.00 0.00 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 31 R 8.01 4.68 0.00 1.76 1.97 0.00 2.87 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.53 0.00 32 F 9.04 5.14 0.00 3.07 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 33 H 8.51 4.63 0.00 3.18 3.37 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.76 4.70 0.00 3.31 3.16 0.00 5.84 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.06 4.53 0.00 3.74 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.96 4.38 0.00 2.40 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 2.31 2.32 0.00 37 K 8.64 4.78 0.00 1.78 1.67 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.62 7.81 38 L 9.19 4.86 0.00 1.66 1.51 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.68 5.00 0.00 2.55 2.68 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 40 K 8.44 3.94 0.00 1.74 1.81 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 41 G 9.02 4.10 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 0.00 0.00 0.00 42 E 8.24 4.18 0.00 2.05 1.88 0.00 0.00 0.00 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 2.42 0.00 43 V 8.35 4.85 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 0.80 0.00 0.00 0.95 0.00 0.00 44 L 8.97 4.66 0.00 1.77 1.49 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 4.87 1.75 0.00 0.00 0.80 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 0.73 0.60 0.00 0.00 46 A 8.97 4.83 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.44 5.07 0.00 1.94 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 48 F 8.45 4.62 0.00 3.06 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 49 T 8.69 4.76 4.31 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 0.00 0.00 0.00 1.30 0.00 0.00 50 E 8.94 3.69 0.00 1.94 2.02 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 2.05 2.26 0.00 51 H 7.90 4.63 0.00 3.23 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.48 5.14 4.36 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 1.37 0.00 0.00 53 S 8.86 4.94 0.00 3.83 4.08 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 54 A 7.83 5.08 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.50 5.10 1.85 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 0.88 0.00 0.00 56 K 9.22 4.56 0.00 1.81 1.64 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.34 7.81 57 V 8.40 4.79 2.08 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 0.86 0.00 0.00 0.92 0.00 0.00 58 R 8.77 4.52 0.00 1.73 1.75 0.00 3.11 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 59 G 8.78 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.27 4.81 0.00 1.75 1.81 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.24 7.81 61 A 8.72 5.27 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.21 4.78 0.00 3.04 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.15 5.08 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.85 0.95 0.00 0.00 64 Q 9.28 4.96 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 65 T 8.73 4.62 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 1.16 0.00 0.00 66 R 8.52 3.74 0.00 1.62 1.82 0.00 3.21 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 67 H 7.76 4.50 0.00 3.19 3.26 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.84 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.87 4.52 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.88 0.00 0.00 70 I 7.89 4.39 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.08 0.84 0.00 0.00 71 E 8.74 5.24 0.00 1.89 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 2.31 2.33 0.00 72 S 9.26 4.81 0.00 3.83 3.96 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 73 E 8.53 4.27 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00