NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5374 8.0276 120.5785 54.9673 43.7085 175.0642 2 K 5.4203 8.3927 118.1117 55.0734 35.6936 172.1630 3 C 5.5112 8.9480 119.3066 54.3193 45.8395 172.4219 4 N 5.5244 7.9877 113.6654 52.6129 41.1492 175.7101 5 K 4.5412 8.6576 128.2919 54.9841 34.4601 175.1048 6 L 4.8115 8.1961 115.1064 55.0151 43.2897 176.6324 7 V 3.7689 8.2081 119.0497 63.4533 29.8045 174.2032 8 P 4.7083 0.0000 0.0000 62.5394 32.8979 177.2923 9 L 3.8494 6.6844 121.1284 56.1205 45.7235 173.4951 10 F 5.0265 7.2312 119.7375 58.4599 41.2716 175.4223 11 Y 5.8145 6.3282 117.2354 55.2538 41.3970 173.7549 12 K 4.6780 8.4572 117.6612 55.7791 35.7626 173.8524 13 T 5.0567 8.5194 120.7240 59.8870 68.4731 173.6745 14 C 5.0706 8.5929 123.1708 53.7615 41.6189 172.9835 15 P 4.1702 0.0000 0.0000 66.2452 32.0041 178.1679 16 A 4.3112 7.8542 121.3262 52.9794 19.6328 178.9358 17 G 3.8601 8.2393 104.2590 48.2285 0.0000 172.7973 18 K 5.2734 7.5443 122.3393 53.7943 33.4324 176.6990 19 N 4.9745 8.5535 116.7691 54.2037 43.6400 174.3267 20 L 5.2103 8.1077 118.4981 52.9429 46.5740 174.9420 21 C 6.0427 9.2305 116.8160 54.8941 43.2204 173.2983 22 Y 5.3563 8.8620 121.8753 55.2213 41.1273 174.5933 23 K 4.5639 8.7580 118.9270 55.1418 36.2687 175.9287 24 M 5.6448 8.3320 121.1728 54.4270 35.0569 174.6992 25 F 5.3846 9.1816 123.2281 56.3318 42.8483 174.0242 26 M 5.8510 9.1325 118.3752 53.0841 35.3569 176.8226 27 V 4.2659 8.2149 120.3547 62.5740 32.6006 177.0273 28 A 3.9653 7.7608 123.1051 55.9125 18.0338 176.9684 29 T 3.9178 6.9522 112.3053 61.8513 74.4722 172.2750 30 P 4.5224 0.0000 0.0000 60.3987 30.7186 175.1465 31 K 4.7944 7.4273 122.8646 55.5453 33.0551 176.0538 32 V 4.6210 8.1848 121.9023 61.0396 35.1392 170.7417 33 P 4.5118 0.0000 0.0000 63.1694 31.2586 175.5254 34 V 4.2713 8.5734 124.4589 63.7036 33.7121 176.0794 35 K 4.5972 7.5340 118.0715 54.8330 36.7152 175.9719 36 R 4.7732 7.7604 122.5970 53.8417 33.1799 173.7554 37 G 3.8523 7.5543 117.6626 45.5732 0.0000 171.6217 38 C 6.3000 9.0166 121.4228 54.4134 37.7441 173.3060 39 I 4.7850 8.3817 121.9740 59.6025 41.8768 174.8320 40 D 5.5793 8.4316 122.9580 53.3872 41.2857 176.4625 41 V 4.4066 6.9860 116.7767 62.0892 34.3353 172.9244 42 C 4.5126 8.6888 125.6179 55.1404 42.2648 170.9276 43 P 4.4719 0.0000 0.0000 62.5392 29.6706 178.5744 44 K 4.7663 8.9143 113.0551 56.2803 35.5246 174.3289 45 S 4.8838 6.9619 112.9620 57.0151 61.8815 174.0802 46 S 4.9836 7.5329 118.6532 58.3296 63.2992 177.4733 47 L 4.6777 7.4740 121.1268 54.2638 48.4709 176.2298 48 L 4.9986 7.9118 114.8685 53.8284 44.6957 176.4285 49 V 5.5114 7.5198 118.4902 59.7690 35.0266 174.1757 50 K 5.0977 8.9386 122.1393 54.7963 36.2222 174.2059 51 Y 6.0799 9.1638 117.8406 55.0931 41.7678 174.2306 52 V 4.7478 8.7583 122.0389 61.4859 34.1384 173.3178 53 C 5.8240 8.5416 122.3467 53.9107 41.6904 173.2454 54 C 5.0029 8.2841 117.4369 54.9288 46.8544 172.8750 55 N 4.9429 8.4229 121.1769 54.0150 38.9911 174.7721 56 T 4.2718 8.1620 113.9266 62.8198 71.5127 174.7999 57 D 4.6156 8.2716 119.8388 56.0440 40.9248 175.2966 58 R 4.2189 8.5106 127.0415 56.7975 30.7451 175.0819 59 C 4.5250 7.7639 108.7786 56.2496 39.9791 173.1479 60 N 4.5439 8.2500 125.6199 54.0754 38.8638 173.6446 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 L 8.03 4.54 0.00 1.63 1.67 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.39 5.42 0.00 1.84 1.82 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.31 7.81 3 C 8.95 5.51 0.00 2.99 3.21 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 4 N 7.99 5.52 0.00 2.87 2.70 0.00 0.00 6.97 6.50 0.00 0.00 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 K 8.66 4.54 0.00 1.73 1.70 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.49 7.81 6 L 8.20 4.81 0.00 1.70 1.64 0.88 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.21 3.77 2.05 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 0.78 0.00 0.00 0.91 0.00 0.00 8 P 0.00 4.71 0.00 2.15 2.06 0.00 3.84 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 9 L 6.68 3.85 0.00 1.42 0.92 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.23 5.03 0.00 1.86 2.33 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 0.00 11 Y 6.33 5.81 0.00 2.88 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 12 K 8.46 4.68 0.00 1.87 1.67 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.46 7.81 13 T 8.52 5.06 4.22 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 1.20 0.00 0.00 14 C 8.59 5.07 0.00 3.11 3.19 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 0.00 0.00 0.00 0.00 15 P 0.00 4.17 0.00 2.20 2.20 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 16 A 7.85 4.31 1.30 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 0.00 0.00 0.00 17 G 8.24 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 5.27 0.00 1.77 1.62 0.00 1.95 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.55 7.81 19 N 8.55 4.97 0.00 2.80 2.99 0.00 0.00 5.75 6.81 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 20 L 8.11 5.21 0.00 1.89 1.60 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 21 C 9.23 6.04 0.00 2.88 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 22 Y 8.86 5.36 0.00 3.04 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 23 K 8.76 4.56 0.00 1.71 0.98 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.85 1.10 7.81 24 M 8.33 5.64 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.51 0.00 25 F 9.18 5.38 0.00 2.92 3.19 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 0.00 0.00 0.00 0.00 26 M 9.13 5.85 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 27 V 8.21 4.27 2.07 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 0.92 0.00 0.00 0.88 0.00 0.00 28 A 7.76 3.97 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 29 T 6.95 3.92 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 30 P 0.00 4.52 0.00 2.21 2.14 0.00 3.81 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 1.99 0.00 31 K 7.43 4.79 0.00 1.77 1.70 0.00 1.81 0.00 0.00 2.24 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 32 V 8.18 4.62 2.14 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 1.13 0.00 0.00 1.00 0.00 0.00 33 P 0.00 4.51 0.00 2.03 2.01 0.00 3.84 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 2.00 2.02 0.00 34 V 8.57 4.27 2.29 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 0.75 0.00 0.00 0.95 0.00 0.00 35 K 7.53 4.60 0.00 1.64 1.48 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.43 7.81 36 R 7.76 4.77 0.00 1.45 1.54 0.00 3.13 0.00 0.00 3.75 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.30 0.00 37 G 7.55 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 38 C 9.02 6.30 0.00 2.88 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.38 4.79 1.49 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.34 0.62 0.00 0.00 40 D 8.43 5.58 0.00 2.79 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 41 V 6.99 4.41 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.91 0.00 0.00 42 C 8.69 4.51 0.00 2.73 2.32 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 0.00 43 P 0.00 4.47 0.00 2.15 1.77 0.00 4.11 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.96 0.00 44 K 8.91 4.77 0.00 1.88 1.97 0.00 1.24 0.00 0.00 2.20 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.11 1.11 7.81 45 S 6.96 4.88 0.00 3.82 3.53 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 46 S 7.53 4.98 0.00 4.00 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 47 L 7.47 4.68 0.00 1.59 1.68 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.91 5.00 0.00 1.54 1.62 0.92 0.82 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 49 V 7.52 5.51 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 0.87 0.00 0.00 1.00 0.00 0.00 50 K 8.94 5.10 0.00 1.80 1.91 0.00 1.55 0.00 0.00 1.88 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.40 7.81 51 Y 9.16 6.08 0.00 3.24 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.76 4.75 2.31 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 1.14 0.00 0.00 1.24 0.00 0.00 53 C 8.54 5.82 0.00 3.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.28 5.00 0.00 3.00 2.92 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 0.00 0.00 0.00 0.00 55 N 8.42 4.94 0.00 2.64 2.69 0.00 0.00 6.85 7.71 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 56 T 8.16 4.27 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 1.21 0.00 0.00 57 D 8.27 4.62 0.00 2.73 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 58 R 8.51 4.22 0.00 1.95 2.11 0.00 3.20 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 59 C 7.76 4.52 0.00 3.11 3.19 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 0.00 0.00 0.00 0.00 60 N 8.25 4.54 0.00 2.72 2.62 0.00 0.00 7.50 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00