NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3932 8.3193 116.7774 57.6046 64.5773 172.4525 2 P 3.7865 0.0000 0.0000 63.6127 31.2832 176.0937 3 Y 4.7263 8.6362 113.8956 57.0497 42.1982 177.3589 4 S 4.5507 7.6745 120.6881 57.5593 62.8967 175.9483 5 S 4.6406 7.5374 114.8423 57.7808 63.1379 173.4530 6 D 4.8789 7.3949 118.1741 53.2299 45.3113 175.9467 7 T 4.1932 8.2817 110.5215 61.9380 69.5805 173.7726 8 T 4.5302 8.1174 118.9526 61.1002 70.6284 173.4569 9 P 4.4945 0.0000 0.0000 62.2461 30.0485 174.7520 10 C 4.5556 8.4319 122.3268 55.7334 41.4970 174.0913 11 C 4.7174 8.1992 122.4908 55.2066 41.3849 173.6695 12 F 4.2118 8.7007 121.0635 57.1300 40.9831 175.4495 13 A 4.1614 7.6948 122.3926 51.1254 19.8384 176.4843 14 Y 4.9161 7.8936 116.0876 56.0463 40.1172 175.4451 15 I 3.8108 8.3933 126.0198 61.0212 38.5027 176.0283 16 A 4.3483 8.8204 131.1092 55.0650 18.6683 178.0515 17 R 4.1248 7.7502 113.5633 54.9340 30.9531 174.6004 18 P 2.0000 0.0000 0.0000 61.3789 32.1871 174.9138 19 L 4.3895 6.9731 118.3491 51.7144 44.3279 174.4541 20 P 4.3251 0.0000 0.0000 62.2852 31.5068 177.2193 21 R 3.5243 8.5091 123.1923 57.6338 30.1594 176.3492 22 A 4.4314 7.7227 118.4822 53.5718 19.3772 177.0384 23 H 4.7707 8.3153 111.6581 55.2317 30.5964 173.5327 24 I 4.5856 7.3704 122.1174 59.3466 35.3183 175.4011 25 K 3.9816 8.0739 124.9665 58.3232 32.8452 176.0437 26 E 5.0070 8.4485 115.1781 55.4608 33.0919 172.8143 27 Y 4.8286 7.7303 118.8418 55.7666 42.1022 173.4815 28 F 4.4379 7.4472 111.0802 56.6334 41.3205 173.2228 29 Y 5.0043 9.0068 118.2348 57.7638 39.7131 174.8649 30 T 4.7309 8.4988 109.8546 60.8488 72.4640 173.8601 31 S 4.5706 8.6492 115.3346 59.7324 66.2651 173.5662 32 G 3.8791 7.8455 106.8815 45.9833 0.0000 173.5032 33 K 4.6282 7.8336 118.2250 56.0806 33.1879 177.5211 34 C 5.2722 7.6042 114.9720 54.8292 43.8215 174.5706 35 S 4.2600 9.1640 116.3237 61.3146 62.2922 174.2599 36 N 5.1060 7.6710 114.6535 50.8724 42.4015 171.9759 37 P 5.0998 0.0000 0.0000 62.1789 32.4601 175.1974 38 A 4.7405 8.2196 122.2688 51.0016 23.5093 174.7522 39 V 4.0184 8.3555 119.1403 61.8482 34.2011 175.1559 40 V 4.8501 7.5481 122.3163 60.3427 34.6180 174.0317 41 F 4.8067 8.6519 127.8989 56.4295 40.4968 174.9214 42 V 4.8929 8.4652 125.3549 61.7176 33.1704 176.1456 43 T 5.5639 8.0293 118.4320 60.1748 71.1043 174.4415 44 R 4.1459 8.4167 118.3327 58.6400 30.5542 177.4045 45 K 4.4456 7.7970 116.5178 56.6286 32.2178 176.7233 46 N 4.1452 7.6964 113.3755 54.2254 36.9842 174.3651 47 R 4.4205 7.5328 116.3968 55.4503 31.2786 175.6533 48 Q 4.7303 8.7220 123.9889 54.9446 29.9953 175.5954 49 V 4.6074 8.6779 123.2908 61.2976 35.5077 173.1336 50 C 5.5876 8.7904 120.8147 55.2323 42.7823 172.8269 51 A 5.0906 8.7460 124.4221 50.2790 22.1778 174.7328 52 N 4.4165 8.4589 120.3856 51.7352 39.9976 173.6163 53 P 4.4676 0.0000 0.0000 63.6257 31.5914 176.2477 54 E 4.2814 7.2951 116.3104 56.3483 29.4457 176.0431 55 K 4.2518 7.2247 119.6995 55.0686 33.9146 175.8541 56 K 4.2718 8.1520 117.0788 57.3128 33.8449 177.6547 57 W 4.5816 7.1954 116.1240 57.3922 29.1035 178.1837 58 V 2.7121 5.8667 119.0484 65.6377 31.0161 177.6870 59 R 3.9266 7.5066 117.5611 58.7519 29.8805 178.2739 60 E 3.9175 7.5580 118.6758 59.8380 29.4705 178.7280 61 Y 5.0557 7.5140 117.8482 60.8173 38.0341 178.3930 62 I 3.6336 7.7659 121.6100 63.6130 36.9522 177.6701 63 N 4.5330 8.1946 117.4398 56.0660 39.1735 176.7303 64 S 4.3991 8.3248 115.1846 60.0933 63.1313 175.9642 65 L 4.2118 8.0165 123.6166 57.0492 43.2420 177.1694 66 E 4.4331 8.0220 117.8212 55.4389 29.0214 175.3481 67 M 4.2615 7.7616 118.5030 55.8743 32.9721 175.7496 68 S 4.4242 8.5099 112.5249 58.5527 63.4665 173.7535 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 S 8.32 4.39 0.00 3.78 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.79 0.00 2.29 1.93 0.00 3.73 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 1.96 2.03 0.00 3 Y 8.64 4.73 0.00 3.01 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 4 S 7.67 4.55 0.00 3.86 3.84 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 0.00 0.00 0.00 5 S 7.54 4.64 0.00 4.01 3.99 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 6 D 7.39 4.88 0.00 2.61 2.55 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 0.00 7 T 8.28 4.19 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 8 T 8.12 4.53 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 1.22 0.00 0.00 9 P 0.00 4.49 0.00 2.34 2.15 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 10 C 8.43 4.56 0.00 3.10 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.20 4.72 0.00 2.86 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 12 F 8.70 4.21 0.00 2.86 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.69 4.16 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 14 Y 7.89 4.92 0.00 3.04 2.84 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 0.00 0.00 0.00 15 I 8.39 3.81 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.82 1.37 0.00 0.00 16 A 8.82 4.35 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.75 4.12 0.00 1.74 1.71 0.00 3.14 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 18 P 0.00 2.00 0.00 1.40 0.49 0.00 3.40 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 19 L 6.97 4.39 0.00 1.23 1.41 0.51 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.33 0.00 2.10 2.06 0.00 3.51 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.78 0.00 21 R 8.51 3.52 0.00 1.86 1.98 0.00 3.39 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.83 0.00 22 A 7.72 4.43 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 23 H 8.32 4.77 0.00 3.10 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.37 4.59 1.65 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.43 1.00 0.00 0.00 25 K 8.07 3.98 0.00 1.83 1.85 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.45 7.81 26 E 8.45 5.01 0.00 2.08 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 2.28 2.38 0.00 27 Y 7.73 4.83 0.00 2.22 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 28 F 7.45 4.44 0.00 3.07 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.01 5.00 0.00 2.94 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 30 T 8.50 4.73 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31 S 8.65 4.57 0.00 3.84 3.79 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 0.00 0.00 0.00 0.00 32 G 7.85 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.83 4.63 0.00 1.78 1.86 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 34 C 7.60 5.27 0.00 2.81 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 35 S 9.16 4.26 0.00 4.15 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.67 5.11 0.00 2.81 2.74 0.00 0.00 7.10 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 37 P 0.00 5.10 0.00 2.23 2.09 0.00 3.42 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 38 A 8.22 4.74 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.36 4.02 1.94 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 -0.24 0.00 0.00 0.19 0.00 0.00 40 V 7.55 4.85 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 0.64 0.00 0.00 0.97 0.00 0.00 41 F 8.65 4.81 0.00 3.11 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 42 V 8.47 4.89 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.03 0.00 0.00 43 T 8.03 5.56 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 1.25 0.00 0.00 44 R 8.42 4.15 0.00 1.88 2.00 0.00 3.02 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 45 K 7.80 4.45 0.00 1.88 1.82 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.42 7.81 46 N 7.70 4.15 0.00 2.79 2.90 0.00 0.00 6.87 7.54 0.00 0.00 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 7.53 4.42 0.00 1.82 1.90 0.00 3.30 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 48 Q 8.72 4.73 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.87 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 49 V 8.68 4.61 2.37 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 1.10 0.00 0.00 0.99 0.00 0.00 50 C 8.79 5.59 0.00 3.06 3.09 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 0.00 0.00 0.00 51 A 8.75 5.09 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.46 4.42 0.00 1.51 2.11 0.00 0.00 6.56 7.36 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 53 P 0.00 4.47 0.00 2.17 2.17 0.00 3.50 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 54 E 7.30 4.28 0.00 1.83 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 2.17 2.11 0.00 55 K 7.22 4.25 0.00 1.07 0.99 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.13 1.02 7.81 56 K 8.15 4.27 0.00 1.81 1.88 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.49 7.81 57 W 7.20 4.58 0.00 3.28 3.24 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 0.00 58 V 5.87 2.71 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 -1.03 0.00 0.00 59 R 7.51 3.93 0.00 1.79 1.80 0.00 3.20 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 60 E 7.56 3.92 0.00 1.86 1.70 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 2.27 2.38 0.00 61 Y 7.51 5.06 0.00 3.22 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 62 I 7.77 3.63 1.83 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 0.90 0.03 1.18 0.00 0.00 63 N 8.19 4.53 0.00 2.76 3.05 0.00 0.00 7.28 6.94 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 64 S 8.32 4.40 0.00 4.23 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 0.00 65 L 8.02 4.21 0.00 2.28 2.13 1.18 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.02 4.43 0.00 2.29 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 2.44 2.52 0.00 67 M 7.76 4.26 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 68 S 8.51 4.42 0.00 4.02 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00