NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3574 8.1127 119.6563 56.1452 32.1699 173.7767 5 E 4.7466 8.4857 121.3468 53.3039 32.4096 173.7211 6 C 4.4607 9.7630 126.9581 59.0738 32.6318 173.7479 7 D 4.4919 8.5893 127.5699 56.2704 40.1719 175.9370 8 Y 4.4261 7.3558 118.2140 58.7416 40.6991 176.2146 9 C 4.0335 8.0648 114.1502 58.7603 30.7767 175.2278 10 G 3.9009 8.3661 108.1209 45.1882 0.0000 173.5001 11 T 4.4270 7.5752 109.2940 60.9819 70.3636 173.3503 12 D 4.9869 8.5131 121.7194 54.2496 41.9371 176.3199 13 I 4.2179 8.6111 124.0863 59.8523 37.9526 175.6915 14 E 3.9039 9.0133 128.6467 55.6168 29.8426 174.8299 15 P 4.2876 0.0000 0.0000 64.2551 31.7341 175.6975 16 G 3.8213 9.4290 106.7927 46.6259 0.0000 173.0125 17 T 4.4350 7.7957 113.6233 62.9260 72.7314 174.3273 18 G 4.0704 8.7086 111.7194 45.4523 0.0000 172.5826 19 T 4.8433 8.5036 113.5697 61.8371 73.0987 173.1462 20 M 5.0588 8.7179 123.4437 53.8741 34.5159 174.4347 21 F 4.7502 9.4189 129.7502 57.1234 41.2935 174.6185 22 V 4.3530 7.6818 126.7574 61.3127 31.6681 175.1390 23 H 4.0321 8.3856 125.8655 55.2913 29.3949 176.9616 24 K 3.8705 8.6723 122.2839 59.7218 31.9943 177.4437 25 D 4.5050 8.0005 114.8296 53.8312 39.5891 176.8499 26 G 3.8535 7.9507 108.9753 44.9829 0.0000 173.6070 27 A 4.3350 8.8309 122.0940 52.4293 19.9506 176.4773 28 T 5.0728 8.2409 114.3763 62.2974 72.5812 174.1149 29 T 4.5791 8.8646 121.8366 62.0933 72.1600 172.9544 30 H 4.9982 10.0178 125.9287 55.0157 29.9579 174.5238 31 F 5.2894 9.3280 123.8475 56.1235 40.5411 177.1184 32 C 4.4284 9.0624 116.9788 59.7115 30.6025 173.6512 33 S 4.5982 7.5371 114.2203 56.4683 65.9172 176.3118 34 S 4.4951 8.2481 118.8344 60.8311 62.6525 176.1196 35 K 3.8674 8.0554 122.7990 59.6874 31.8112 178.3150 36 C 4.1905 7.6967 116.1833 62.7216 28.2087 175.7398 37 E 2.5400 7.7183 120.0599 59.2776 28.8854 179.2597 38 N 4.1902 8.6740 117.2810 56.4275 38.6441 177.2480 39 N 4.4107 8.0697 117.6639 55.9457 38.5999 177.4218 40 A 4.0985 7.5778 122.3999 55.2377 18.2441 179.4078 41 D 4.2412 8.0111 116.7781 57.2891 40.9257 178.4971 42 L 4.2332 7.3783 117.9803 55.6182 41.7343 178.0423 43 G 3.9817 8.1905 107.5704 45.2659 0.0000 173.7589 44 R 4.2340 7.6374 118.0719 55.5549 31.0465 175.8212 45 E 4.4603 8.6014 121.0274 54.6493 30.7991 176.9228 46 A 3.5073 8.2298 127.2311 55.2576 18.3792 179.5993 47 R 3.8394 7.6422 113.2558 58.7544 30.2608 177.0690 48 N 4.5164 8.2939 113.5650 53.0590 38.9570 174.9578 49 L 4.4012 7.2145 120.0705 52.6888 41.7905 176.6629 50 E 3.8426 8.9165 124.6029 59.2567 29.4393 179.3709 51 W 4.4090 7.8840 112.7645 58.3201 28.6993 176.4093 52 T 3.8942 7.2089 117.6947 63.0183 68.6061 175.3304 53 D 4.3294 8.7392 125.2569 57.9776 41.2904 178.7871 54 T 3.8079 8.0506 114.7671 66.7556 68.6639 175.4842 55 A 3.9894 7.8262 121.8532 55.1821 18.6355 177.4175 56 R 4.0709 7.9918 118.3195 56.6953 30.0261 176.6724 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 4 R 8.11 4.36 0.00 1.77 1.88 0.00 2.99 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 5 E 8.49 4.75 0.00 1.96 1.78 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 2.35 2.47 0.00 6 C 9.76 4.46 0.00 3.06 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 7 D 8.59 4.49 0.00 2.53 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 8 Y 7.36 4.43 0.00 2.95 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 9 C 8.06 4.03 0.00 3.18 3.41 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 0.00 10 G 8.37 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 0.00 0.00 0.00 11 T 7.58 4.43 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 12 D 8.51 4.99 0.00 2.61 2.65 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 13 I 8.61 4.22 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.61 0.96 0.00 0.00 14 E 9.01 3.90 0.00 1.92 1.91 0.00 0.00 0.00 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 2.40 0.00 15 P 0.00 4.29 0.00 2.22 2.06 0.00 3.92 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 16 G 9.43 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 0.00 0.00 0.00 17 T 7.80 4.44 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 18 G 8.71 4.07 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 0.00 0.00 0.00 19 T 8.50 4.84 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 1.31 0.00 0.00 20 M 8.72 5.06 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.37 0.00 21 F 9.42 4.75 0.00 3.32 3.15 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 22 V 7.68 4.35 1.85 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 0.73 0.00 0.00 0.83 0.00 0.00 23 H 8.39 4.03 0.00 3.49 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.67 3.87 0.00 1.74 1.87 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.44 7.81 25 D 8.00 4.50 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.95 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 0.00 0.00 0.00 27 A 8.83 4.34 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 28 T 8.24 5.07 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 1.14 0.00 0.00 29 T 8.86 4.58 4.34 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 0.51 0.00 0.00 30 H 10.02 5.00 0.00 3.17 3.27 0.00 5.79 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.33 5.29 0.00 3.05 2.93 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 32 C 9.06 4.43 0.00 3.16 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.54 4.60 0.00 4.02 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 34 S 8.25 4.50 0.00 3.98 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 35 K 8.06 3.87 0.00 1.75 1.83 0.00 1.39 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.43 1.39 7.81 36 C 7.70 4.19 0.00 3.46 3.15 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 37 E 7.72 2.54 0.00 1.77 1.33 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 1.47 1.96 0.00 38 N 8.67 4.19 0.00 2.71 2.79 0.00 0.00 7.14 6.80 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 39 N 8.07 4.41 0.00 2.89 3.10 0.00 0.00 6.83 8.20 0.00 0.00 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 A 7.58 4.10 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.01 4.24 0.00 2.63 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 42 L 7.38 4.23 0.00 1.80 1.74 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.19 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 44 R 7.64 4.23 0.00 2.17 1.98 0.00 3.26 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 45 E 8.60 4.46 0.00 1.99 1.81 0.00 0.00 0.00 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 2.31 0.00 46 A 8.23 3.51 0.39 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 47 R 7.64 3.84 0.00 1.71 1.91 0.00 3.13 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 48 N 8.29 4.52 0.00 2.61 2.81 0.00 0.00 6.88 7.74 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 49 L 7.21 4.40 0.00 1.25 0.85 1.09 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.92 3.84 0.00 2.00 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 2.32 2.34 0.00 51 W 7.88 4.41 0.00 3.57 3.25 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 0.00 52 T 7.21 3.89 3.97 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 1.03 0.00 0.00 53 D 8.74 4.33 0.00 3.02 2.70 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 54 T 8.05 3.81 4.02 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 1.08 0.00 0.00 55 A 7.83 3.99 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 56 R 7.99 4.07 0.00 1.90 1.86 0.00 3.22 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00