NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3473 8.2549 120.8613 56.2121 31.7800 175.9478 2 R 4.3449 8.1949 125.0099 53.9078 31.0599 174.9955 3 K 4.2587 8.3524 121.5376 56.5100 34.4585 174.8098 4 P 4.1539 0.0000 0.0000 64.1985 31.3410 173.2335 5 L 3.4030 8.9215 124.8372 55.0776 38.1563 170.1246 6 F 3.3394 8.6378 129.4826 56.6255 37.8416 174.9486 7 Y 4.8559 6.8867 134.7720 56.5987 36.8461 176.9555 8 T 4.0537 8.8353 114.1567 62.0065 68.3442 175.0205 9 I 4.2323 8.1810 131.2821 61.1471 36.3942 177.3226 10 N 4.6752 7.7725 119.9413 53.0720 37.6391 175.6076 11 L 3.7099 7.7192 112.0867 55.9585 40.1438 177.8813 12 I 3.7247 7.9051 119.7285 64.3154 37.9732 176.2529 13 I 3.7350 7.8787 120.4450 64.0222 37.0116 176.1547 14 P 4.2314 0.0000 0.0000 66.2068 30.8846 177.7834 15 C 4.0077 7.8654 118.1847 62.1699 31.5150 175.7850 16 V 3.5172 8.1201 120.0935 65.8922 31.0672 177.8585 17 L 3.9192 8.1894 119.0240 57.9731 41.4886 179.5843 18 I 3.6415 8.1918 119.8550 64.6794 36.9915 178.6271 19 T 3.6984 8.0825 116.7641 66.5208 68.1932 176.5091 20 S 3.9583 8.4437 115.2111 61.4101 62.3790 176.1677 21 L 3.9016 8.1458 121.6577 57.7119 40.9592 179.2050 22 A 3.4337 8.0760 120.8959 55.2114 18.2300 179.5770 23 I 3.6040 7.7721 118.2274 64.3279 37.2275 178.3493 24 L 3.9225 8.1288 121.4021 58.1976 41.6809 179.3431 25 V 3.7321 7.8036 116.7632 65.9057 31.6830 177.7298 26 F 4.4294 9.4696 116.9504 61.1188 38.9544 176.4129 27 Y 4.1212 8.8961 114.9412 58.8826 38.5006 175.4143 28 L 4.1163 8.3335 119.2579 54.5588 40.1515 173.3255 29 P 4.7035 0.0000 0.0000 62.1509 30.5147 177.7518 30 S 4.3918 7.5487 112.3506 58.7506 64.9704 175.2895 31 D 4.7372 8.3618 122.8794 53.2199 38.9689 176.1023 32 C 4.6355 7.4502 117.1356 58.5362 35.2400 173.8733 33 G 4.1221 8.4787 117.1331 45.2143 0.0000 174.3146 34 E 4.2063 8.0520 118.4409 57.8321 30.9276 176.6273 35 K 4.1349 7.9253 122.1769 56.8760 32.8160 176.4969 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 R 8.25 4.35 0.00 1.81 1.93 0.00 3.28 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 2 R 8.19 4.34 0.00 1.99 1.85 0.00 3.45 0.00 0.00 3.28 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 3 K 8.35 4.26 0.00 1.88 1.83 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.38 7.81 4 P 0.00 4.15 0.00 2.22 2.14 0.00 3.90 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 5 L 8.92 3.40 0.00 1.87 1.88 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.64 3.34 0.00 3.02 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 7 Y 6.89 4.86 0.00 2.98 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 8 T 8.84 4.05 4.28 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 1.23 0.00 0.00 9 I 8.18 4.23 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.98 0.97 0.00 0.00 10 N 7.77 4.68 0.00 2.73 2.81 0.00 0.00 7.23 7.84 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 11 L 7.72 3.71 0.00 1.88 1.75 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.91 3.72 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.29 0.97 0.00 0.00 13 I 7.88 3.74 1.90 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 1.80 0.62 0.93 0.00 0.00 14 P 0.00 4.23 0.00 2.26 2.32 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.04 0.00 15 C 7.87 4.01 0.00 3.06 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.12 3.52 2.28 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 0.75 0.00 0.00 0.92 0.00 0.00 17 L 8.19 3.92 0.00 1.96 1.68 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.19 3.64 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 0.84 0.00 0.00 19 T 8.08 3.70 4.29 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 1.10 0.00 0.00 20 S 8.44 3.96 0.00 3.83 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 21 L 8.15 3.90 0.00 1.75 1.66 0.90 0.60 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 22 A 8.08 3.43 0.64 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 0.00 0.00 23 I 7.77 3.60 1.62 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.63 0.11 0.00 0.00 24 L 8.13 3.92 0.00 1.83 1.88 0.93 0.79 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 25 V 7.80 3.73 2.39 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 1.07 0.00 0.00 1.02 0.00 0.00 26 F 9.47 4.43 0.00 3.21 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.90 4.12 0.00 3.07 3.07 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 0.00 0.00 0.00 0.00 28 L 8.33 4.12 0.00 1.81 1.72 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.70 0.00 2.25 2.16 0.00 4.01 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 30 S 7.55 4.39 0.00 4.02 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 31 D 8.36 4.74 0.00 2.70 2.70 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 0.00 0.00 0.00 32 C 7.45 4.64 0.00 2.89 2.80 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 33 G 8.48 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 0.00 0.00 0.00 34 E 8.05 4.21 0.00 2.08 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 2.24 2.23 0.00 35 K 7.93 4.13 0.00 1.87 1.83 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.34 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81