NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2820 8.3049 120.3487 55.1798 33.5658 175.7334 2 L 4.1819 7.8132 118.9767 52.7487 41.2704 174.5358 3 S 4.4550 8.5926 115.1042 57.8113 66.0054 176.5879 4 V 3.8841 8.7601 119.5807 61.8175 31.1847 176.1945 5 A 4.4817 7.6105 124.4014 53.5965 20.4511 178.9955 6 A 4.0762 8.0077 116.9329 54.5098 19.2248 178.2976 7 R 4.3554 7.5620 116.8433 54.3814 28.8842 176.4336 8 S 4.1346 7.5596 112.8999 58.6280 61.8998 172.3397 9 G 4.8936 7.5040 115.3305 46.2603 0.0000 170.3583 10 P 5.1386 0.0000 0.0000 61.2567 33.8309 174.8225 11 F 4.5032 8.8443 118.4383 57.1696 40.1223 175.4400 12 A 4.6524 8.1175 122.9965 49.9138 21.8786 173.2449 13 P 5.2212 0.0000 0.0000 61.3765 33.6285 175.4880 14 V 4.4650 8.3900 121.5660 61.0872 34.6337 174.0607 15 L 5.1718 8.6260 128.7567 53.5016 45.0588 175.1975 16 S 4.5837 8.4430 116.2896 56.4262 65.5112 173.0892 17 A 3.9118 8.2753 122.8969 55.3939 18.2696 178.7996 18 T 4.2904 7.6380 105.3933 61.6218 70.2426 174.8545 19 S 4.7964 7.1065 116.5359 55.6694 64.5988 173.7612 20 R 4.0961 8.3613 122.0634 55.9998 29.8412 176.3584 21 G 4.0259 8.4304 107.1101 45.3541 0.0000 173.0396 22 V 4.7134 8.4038 122.8800 60.9681 35.1115 173.8592 23 A 4.8188 7.9171 124.5145 51.1221 22.1909 176.5612 24 G 2.2889 8.0826 110.7850 44.0335 0.0000 173.0900 25 A 4.2183 7.4426 120.2179 51.3667 20.2279 177.8872 26 L 3.9818 6.1550 121.2954 53.6299 45.9880 171.0019 27 R 4.0896 8.8193 132.1726 54.7597 28.5090 173.8720 28 P 4.3008 0.0000 0.0000 63.0552 31.9719 174.8533 29 L 4.8162 9.6245 115.3792 53.7549 41.9018 173.9889 30 V 3.7721 8.4472 125.8414 63.9429 30.7925 172.7570 31 Q 4.3992 7.9819 113.2335 55.9679 28.5570 175.6029 32 A 4.5549 8.0026 119.6337 52.2552 20.5390 177.2090 33 A 4.6964 7.8261 115.9124 51.1154 20.2520 177.9059 34 V 3.7190 7.7929 115.6091 64.8304 31.8941 174.8097 35 P 4.3426 0.0000 0.0000 61.9924 30.0561 176.4808 36 A 4.2139 8.0409 127.8608 53.0548 19.3687 177.0590 37 T 3.4284 8.5641 111.5989 65.3267 65.5851 173.1610 38 S 4.7110 7.6093 116.7633 56.1027 62.3626 173.9578 39 E 3.8468 8.3186 126.4127 57.7322 30.1243 175.4601 40 S 3.7014 8.0143 119.5221 56.2819 63.9738 168.5713 41 P 4.0715 0.0000 0.0000 63.1194 30.5714 175.8675 42 V 4.0801 8.0682 123.2438 61.9758 31.8823 175.7500 43 L 3.8973 8.6874 126.2950 54.9829 39.3091 176.2518 44 D 4.5932 7.7894 119.2172 55.0412 38.4228 174.6674 45 L 3.6150 8.0005 122.8313 55.7615 38.6358 174.3841 46 K 4.5906 7.4995 122.8370 54.9206 35.8480 175.5399 47 R 4.2113 8.2801 119.9135 55.5712 30.2046 176.1149 48 S 4.2426 8.3005 114.3737 58.4409 63.1821 174.7505 49 V 3.7635 8.1504 119.1047 62.2653 32.0826 173.9382 50 L 4.1669 8.6415 125.7737 53.8151 41.0706 170.4936 51 C 3.9393 7.9155 121.9203 59.2812 28.0946 173.2747 52 R 4.5437 8.3222 123.3931 54.1773 29.5989 173.9442 53 E 4.7224 8.3522 121.4558 55.6935 30.8173 176.5005 54 S 4.7048 8.0034 110.8599 57.9058 63.3757 174.0719 55 L 4.0750 7.7806 120.2154 55.5801 41.7894 176.2975 56 R 4.6730 8.1128 119.8484 53.8075 33.4073 176.3522 57 G 3.7368 8.4751 106.5295 46.1909 0.0000 173.6190 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 M 8.30 4.28 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 L 7.81 4.18 0.00 1.73 1.64 0.92 0.58 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 3 S 8.59 4.45 0.00 3.78 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 4 V 8.76 3.88 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 0.75 0.00 0.00 0.94 0.00 0.00 5 A 7.61 4.48 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 6 A 8.01 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 7 R 7.56 4.36 0.00 1.82 1.91 0.00 3.38 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 8 S 7.56 4.13 0.00 3.81 3.87 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 0.00 0.00 0.00 9 G 7.50 4.89 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 0.00 0.00 0.00 10 P 0.00 5.14 0.00 2.28 2.27 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 11 F 8.84 4.50 0.00 2.91 3.12 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 12 A 8.12 4.65 1.14 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 0.00 0.00 13 P 0.00 5.22 0.00 1.97 2.02 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 14 V 8.39 4.46 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 0.93 0.00 0.00 0.90 0.00 0.00 15 L 8.63 5.17 0.00 1.65 1.48 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.44 4.58 0.00 3.95 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 17 A 8.28 3.91 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 18 T 7.64 4.29 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 19 S 7.11 4.80 0.00 3.76 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.36 4.10 0.00 1.95 1.92 0.00 3.25 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 21 G 8.43 4.03 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 0.00 0.00 0.00 22 V 8.40 4.71 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 0.94 0.00 0.00 0.91 0.00 0.00 23 A 7.92 4.82 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 24 G 8.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.44 4.22 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 26 L 6.16 3.98 0.00 1.72 1.64 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.82 4.09 0.00 2.05 2.15 0.00 3.66 0.00 0.00 3.45 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 28 P 0.00 4.30 0.00 2.09 2.01 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 29 L 9.62 4.82 0.00 1.73 1.86 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.45 3.77 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 0.77 0.00 0.00 0.93 0.00 0.00 31 Q 7.98 4.40 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 32 A 8.00 4.55 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 33 A 7.83 4.70 1.27 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 0.00 0.00 0.00 34 V 7.79 3.72 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 0.84 0.00 0.00 0.97 0.00 0.00 35 P 0.00 4.34 0.00 2.08 2.03 0.00 3.78 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 2.03 2.08 0.00 36 A 8.04 4.21 1.26 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 0.00 0.00 37 T 8.56 3.43 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 38 S 7.61 4.71 0.00 3.97 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 39 E 8.32 3.85 0.00 2.08 2.13 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 2.28 2.36 0.00 40 S 8.01 3.70 0.00 4.17 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 41 P 0.00 4.07 0.00 2.07 2.13 0.00 3.64 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 2.05 2.11 0.00 42 V 8.07 4.08 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 0.84 0.00 0.00 1.01 0.00 0.00 43 L 8.69 3.90 0.00 1.87 1.86 0.92 1.13 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 44 D 7.79 4.59 0.00 2.65 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 45 L 8.00 3.61 0.00 1.89 1.76 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.50 4.59 0.00 1.68 1.56 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.42 7.81 47 R 8.28 4.21 0.00 1.96 1.97 0.00 3.16 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 48 S 8.30 4.24 0.00 3.88 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 49 V 8.15 3.76 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 0.66 0.00 0.00 0.93 0.00 0.00 50 L 8.64 4.17 0.00 1.67 2.08 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.92 3.94 0.00 3.17 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 52 R 8.32 4.54 0.00 1.68 1.78 0.00 3.22 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 53 E 8.35 4.72 0.00 1.94 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 2.19 2.19 0.00 54 S 8.00 4.70 0.00 3.96 3.92 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 L 7.78 4.07 0.00 1.65 1.65 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.11 4.67 0.00 1.75 1.84 0.00 3.20 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 57 G 8.48 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00