NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3308 8.3293 119.6883 55.2254 30.1024 175.8073 4 P 4.3173 0.0000 0.0000 60.1622 29.7151 174.3284 5 A 4.2178 7.3332 126.5183 53.2876 24.6410 176.3177 6 K 4.3638 8.4557 117.4474 56.1090 34.1947 176.5698 7 K 4.6567 8.4946 116.3299 55.3492 33.9746 175.7120 8 T 4.8102 8.2886 118.5515 62.2103 70.7489 173.9035 9 Y 4.3042 8.6879 122.1115 56.8643 39.6504 175.1418 10 T 4.7365 7.2999 110.4601 59.6460 71.4766 173.3803 11 W 4.8815 8.9461 123.9057 55.0752 32.4885 174.8896 12 N 4.9412 8.9359 116.4036 53.3774 41.2914 175.5540 13 T 4.6380 7.6508 107.6277 60.0659 72.1615 175.7883 14 K 4.0051 8.4950 122.2920 59.6021 32.1322 179.3080 15 E 3.9937 8.1552 119.2359 59.2183 29.5706 178.6034 16 E 4.1289 8.2784 117.9404 59.4189 29.6980 178.9908 17 A 3.1713 8.3009 120.7638 54.9740 18.4421 179.6863 18 K 3.8906 8.4611 118.5428 59.4170 32.1913 178.9016 19 Q 4.0251 8.5324 120.3820 59.1793 29.0121 178.0079 20 A 4.3288 8.6424 122.2705 55.0575 18.4192 179.4742 21 F 3.7517 8.2020 119.3245 61.2244 39.5073 177.6657 22 K 4.1827 8.4956 118.2666 59.6857 31.8972 179.0845 23 E 4.0966 8.9518 119.8303 58.9324 29.4844 178.5940 24 L 3.8470 8.0999 121.0702 58.1273 42.1427 178.9847 25 L 3.5553 7.5316 118.8684 57.3187 41.3230 179.3784 26 K 4.2900 8.2140 119.6419 59.7845 31.9891 178.5475 27 E 4.0560 8.2821 118.3748 58.7513 29.6396 177.9622 28 K 4.1716 7.8127 116.0124 55.7181 32.3417 176.8345 29 R 3.9369 7.8821 117.1525 56.6961 28.3090 176.5769 30 V 3.6696 7.6668 117.5732 62.4124 31.9264 174.1726 31 P 4.6658 0.0000 0.0000 62.4034 32.0568 176.8760 32 S 4.4282 8.6393 112.7411 59.8144 62.4660 174.0299 33 N 4.9503 8.0332 115.3098 52.9177 37.4498 174.4501 34 A 4.3281 7.8772 121.7805 52.4661 19.2086 178.8556 35 S 4.8133 8.4906 116.0541 57.3631 65.9311 175.1521 36 W 4.9777 9.3319 132.6122 61.2600 30.2453 178.2796 37 E 3.4952 8.1573 117.8137 59.3037 29.0166 179.1595 38 Q 3.7862 7.9722 117.7505 58.8023 28.8217 178.7069 39 A 3.5213 7.8919 122.0515 55.0063 18.1668 179.2293 40 M 3.1830 7.2431 116.8944 58.3350 31.9586 178.6325 41 K 3.5312 7.2845 118.3028 59.7044 32.0254 179.3576 42 M 3.9231 7.4668 117.5970 57.6962 32.0480 178.0343 43 I 3.9129 7.1994 112.5237 62.4200 38.2072 177.8914 44 I 3.0465 7.3920 120.2678 63.7228 37.7524 177.1216 45 N 4.1553 7.5010 116.3341 54.8184 38.9317 174.4836 46 D 4.7897 7.2699 119.7834 51.7877 42.9221 175.3493 47 P 4.4769 0.0000 0.0000 65.3334 31.2456 178.7609 48 R 4.0712 8.7556 118.7681 59.1733 29.9279 177.9531 49 Y 4.1209 7.9702 119.6833 60.4764 38.5092 177.4766 50 S 4.3187 7.9288 111.8018 59.5503 62.5931 175.2071 51 A 2.7366 7.5687 122.7003 52.9778 17.9068 177.1618 52 L 4.4130 6.8641 116.6931 52.7099 44.0810 176.6708 53 A 4.0916 8.6219 127.0617 54.0426 19.1295 177.9586 54 K 4.4512 9.4630 116.4949 55.0048 34.5758 177.7395 55 L 3.9709 8.3616 124.9353 57.8382 42.1704 179.2859 56 S 3.9170 7.8957 114.3573 61.4069 62.7560 176.3055 57 E 3.7643 7.8158 120.9294 58.7062 29.4422 178.9301 58 K 2.4800 7.3175 119.3107 58.6188 31.9891 179.4490 59 K 3.3690 7.5960 118.9494 59.1693 31.8090 179.4425 60 Q 3.8590 7.7649 118.1235 58.8998 28.5130 178.8274 61 A 4.0468 7.9912 122.0782 54.9802 18.3804 179.5387 62 F 4.6919 8.4394 119.3166 61.7562 39.5824 177.1921 63 N 3.9023 8.7291 116.2447 56.1958 38.3513 177.3168 64 A 4.0270 8.4367 122.5709 55.1194 18.1825 179.0384 65 Y 4.0423 8.2260 117.8249 60.8894 39.3373 178.2160 66 K 4.0242 8.3449 119.4554 59.4301 31.9758 179.5332 67 V 3.6429 7.6386 117.0997 65.2258 31.4667 177.0798 68 Q 4.2170 7.6421 117.8732 57.2310 29.0391 175.7876 69 T 4.3625 7.0552 112.6401 61.4678 67.5926 173.2691 70 E 4.6113 7.7003 118.9613 55.1208 32.2621 175.6419 71 K 4.1010 8.5889 119.1671 57.4828 33.2365 175.4289 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 3 Q 8.33 4.33 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.40 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 4 P 0.00 4.32 0.00 2.26 2.09 0.00 3.86 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 2.03 0.00 5 A 7.33 4.22 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 6 K 8.46 4.36 0.00 1.75 1.81 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.47 7.81 7 K 8.49 4.66 0.00 1.85 1.78 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.46 7.81 8 T 8.29 4.81 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 9 Y 8.69 4.30 0.00 3.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.30 4.74 4.18 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 0.00 0.00 0.00 1.17 0.00 0.00 11 W 8.95 4.88 0.00 3.51 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 12 N 8.94 4.94 0.00 2.67 2.83 0.00 0.00 6.93 7.56 0.00 0.00 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 T 7.65 4.64 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 1.25 0.00 0.00 14 K 8.50 4.01 0.00 1.80 1.90 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.43 7.81 15 E 8.16 3.99 0.00 2.07 1.99 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 2.44 2.46 0.00 16 E 8.28 4.13 0.00 2.34 2.36 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 2.52 2.40 0.00 17 A 8.30 3.17 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 18 K 8.46 3.89 0.00 1.97 1.84 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.38 7.81 19 Q 8.53 4.03 0.00 2.32 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.65 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 20 A 8.64 4.33 1.80 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 0.00 0.00 21 F 8.20 3.75 0.00 3.09 3.14 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 22 K 8.50 4.18 0.00 2.25 2.03 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.86 1.72 7.81 23 E 8.95 4.10 0.00 2.25 2.06 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 2.39 2.41 0.00 24 L 8.10 3.85 0.00 1.77 1.45 0.82 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.53 3.56 0.00 1.25 0.13 0.94 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.21 4.29 0.00 2.23 2.00 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.62 7.81 27 E 8.28 4.06 0.00 2.16 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 0.00 2.32 2.37 0.00 28 K 7.81 4.17 0.00 1.83 1.67 0.00 1.76 0.00 0.00 1.52 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.37 7.81 29 R 7.88 3.94 0.00 1.97 2.03 0.00 3.39 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 30 V 7.67 3.67 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 0.90 0.00 0.00 0.67 0.00 0.00 31 P 0.00 4.67 0.00 2.47 2.24 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.02 0.00 32 S 8.64 4.43 0.00 3.85 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 33 N 8.03 4.95 0.00 2.86 2.89 0.00 0.00 6.10 7.31 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 34 A 7.88 4.33 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.81 0.00 4.19 4.09 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 36 W 9.33 4.98 0.00 3.65 3.34 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 37 E 8.16 3.50 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 2.32 2.28 0.00 38 Q 7.97 3.79 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 39 A 7.89 3.52 0.05 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 0.00 0.00 40 M 7.24 3.18 0.00 0.70 0.57 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.80 0.00 41 K 7.28 3.53 0.00 1.64 1.60 0.00 1.53 0.00 0.00 1.49 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.22 7.81 42 M 7.47 3.92 0.00 1.82 2.08 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 43 I 7.20 3.91 1.51 0.00 0.00 0.73 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 0.63 0.51 0.00 0.00 44 I 7.39 3.05 1.12 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 -0.32 0.63 0.00 0.00 45 N 7.50 4.16 0.00 2.60 2.79 0.00 0.00 6.73 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 46 D 7.27 4.79 0.00 2.57 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.48 0.00 2.35 2.35 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.02 0.00 48 R 8.76 4.07 0.00 1.73 2.11 0.00 3.64 0.00 0.00 3.29 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.73 0.00 49 Y 7.97 4.12 0.00 3.27 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 50 S 7.93 4.32 0.00 4.04 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 0.00 51 A 7.57 2.74 0.08 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 0.00 0.00 52 L 6.86 4.41 0.00 1.21 1.26 -0.20 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.62 4.09 1.25 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 0.00 0.00 54 K 9.46 4.45 0.00 1.83 1.61 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.36 7.81 55 L 8.36 3.97 0.00 1.75 1.67 0.90 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.90 3.92 0.00 3.96 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.82 3.76 0.00 1.96 2.06 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 2.13 2.08 0.00 58 K 7.32 2.48 0.00 1.60 1.84 0.00 1.39 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.64 1.28 7.81 59 K 7.60 3.37 0.00 1.52 1.43 0.00 1.27 0.00 0.00 0.70 0.00 0.00 2.88 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.86 7.81 60 Q 7.76 3.86 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 61 A 7.99 4.05 1.21 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 62 F 8.44 4.69 0.00 3.64 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.73 3.90 0.00 2.74 2.70 0.00 0.00 6.82 7.26 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 64 A 8.44 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.23 4.04 0.00 3.25 3.51 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 66 K 8.34 4.02 0.00 1.91 2.00 0.00 1.95 0.00 0.00 1.58 0.00 0.00 2.28 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.90 1.38 7.81 67 V 7.64 3.64 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 0.71 0.00 0.00 0.91 0.00 0.00 68 Q 7.64 4.22 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.06 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 69 T 7.06 4.36 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 0.97 0.00 0.00 70 E 7.70 4.61 0.00 2.05 2.12 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 2.14 2.33 0.00 71 K 8.59 4.10 0.00 1.84 1.76 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.46 7.81