NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4291 8.3044 120.3266 55.1742 34.3260 176.1025 2 K 3.9796 8.1408 120.3995 55.5691 35.0451 175.4495 3 L 3.9200 8.6214 125.7246 58.0504 42.4370 178.8625 4 K 3.9115 7.9827 119.2079 59.5620 32.2442 178.6069 5 Q 3.9735 8.0251 117.8345 58.8581 28.6043 178.7158 6 V 3.5512 8.0581 119.1854 66.0521 31.4984 177.7617 7 A 3.9757 8.1690 120.5198 55.4663 18.1919 179.3230 8 D 4.2983 8.2923 117.2690 57.4609 40.8397 179.2697 9 K 4.0156 8.0908 118.9832 59.4031 31.9738 179.4203 10 L 3.9823 8.1804 119.5240 57.6772 41.5042 179.1196 11 E 3.8811 8.4968 119.6122 59.2262 29.5562 178.4650 12 E 3.9139 8.1970 119.2915 59.3629 29.7020 179.0253 13 V 3.5834 8.0303 118.0770 65.8472 31.6131 177.6954 14 A 4.0279 8.2772 120.8322 55.4480 18.2220 179.8472 15 S 4.0901 8.1238 113.5321 61.5644 62.8592 177.0492 16 K 4.0698 8.2656 121.2110 59.5658 31.7553 179.3191 17 L 4.0059 8.4158 119.6240 57.8460 41.4703 178.8253 18 Y 4.1484 8.1578 119.3884 61.3040 38.7361 178.1273 19 H 4.0417 8.3069 116.8805 58.8515 28.7834 177.5725 20 N 4.3181 8.4452 118.1837 56.2881 38.3281 177.3566 21 A 3.9956 8.3051 122.4700 55.0967 18.4424 179.4301 22 N 4.1291 8.1082 115.1421 56.3662 38.7020 177.2791 23 E 3.8780 8.2192 120.6972 59.1227 29.7766 178.5724 24 L 3.9254 7.9923 120.1987 58.0423 42.1649 178.8012 25 A 3.9654 8.1582 120.8012 55.2363 18.3484 179.7531 26 R 3.8583 8.0780 116.5731 59.6203 30.0558 179.8000 27 V 3.6573 7.7955 111.6186 64.2034 31.3057 178.5022 28 A 3.9941 7.7790 119.7983 54.9579 18.2152 179.5988 29 K 4.0742 7.8159 116.4095 59.4666 32.2138 178.9758 30 L 4.1187 7.7153 118.2172 57.9428 41.7041 177.9254 31 L 4.3149 8.0599 121.9568 54.9789 41.8165 176.6994 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 4.43 0.00 2.02 1.99 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 2.50 2.54 0.00 2 K 8.14 3.98 0.00 2.14 1.67 0.00 1.61 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.61 7.81 3 L 8.62 3.92 0.00 1.79 1.65 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.98 3.91 0.00 1.90 1.78 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.59 7.81 5 Q 8.03 3.97 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 6 V 8.06 3.55 2.24 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 1.08 0.00 0.00 0.99 0.00 0.00 7 A 8.17 3.98 1.39 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 8 D 8.29 4.30 0.00 2.90 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.09 4.02 0.00 2.01 1.85 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.62 7.81 10 L 8.18 3.98 0.00 1.83 1.71 0.92 0.99 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 11 E 8.50 3.88 0.00 2.17 2.09 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 2.29 2.34 0.00 12 E 8.20 3.91 0.00 2.18 2.15 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 2.32 2.34 0.00 13 V 8.03 3.58 2.20 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 0.96 0.00 0.00 1.02 0.00 0.00 14 A 8.28 4.03 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 15 S 8.12 4.09 0.00 4.08 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 0.00 16 K 8.27 4.07 0.00 2.00 1.90 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.68 7.81 17 L 8.42 4.01 0.00 1.86 1.76 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.16 4.15 0.00 3.04 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 19 H 8.31 4.04 0.00 3.41 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.45 4.32 0.00 2.93 2.87 0.00 0.00 6.90 6.88 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 21 A 8.31 4.00 1.37 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 0.00 0.00 0.00 22 N 8.11 4.13 0.00 2.69 2.71 0.00 0.00 6.66 7.20 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 23 E 8.22 3.88 0.00 2.01 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 2.29 2.29 0.00 24 L 7.99 3.93 0.00 1.90 1.79 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.16 3.97 1.37 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 0.00 0.00 0.00 26 R 8.08 3.86 0.00 2.03 1.97 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 27 V 7.80 3.66 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 0.84 0.00 0.00 1.01 0.00 0.00 28 A 7.78 3.99 1.36 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 0.00 0.00 0.00 0.00 0.00 29 K 7.82 4.07 0.00 1.96 1.87 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.55 7.81 30 L 7.72 4.12 0.00 1.86 1.74 0.91 0.81 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 31 L 8.06 4.31 0.00 1.75 1.57 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00