NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1052 8.0093 120.7865 61.2271 38.4889 174.5254 2 T 4.4825 8.2393 117.7214 59.5121 71.2704 171.7647 3 A 4.6614 8.7015 124.9389 50.6215 23.1201 177.6396 4 K 4.2729 8.3246 119.3615 55.0585 32.9189 175.6452 5 P 4.3860 0.0000 0.0000 62.1387 31.8683 176.0784 6 A 4.0521 8.3956 122.1062 52.6269 18.6765 178.3066 7 K 4.1798 8.7353 122.4683 59.0506 32.8481 177.8224 8 T 4.6362 7.3330 106.8772 58.1996 68.2994 171.2305 9 P 4.0913 0.0000 0.0000 64.0872 32.0806 177.0887 10 T 4.3807 8.1057 117.3308 61.5149 68.9339 175.0288 11 S 4.3201 8.3100 122.0462 57.3078 64.9415 173.1340 12 P 4.1870 0.0000 0.0000 65.9668 31.0864 178.6677 13 K 3.8620 8.1028 116.3216 59.8583 32.0240 178.7439 14 E 3.9589 7.7797 117.3612 59.6114 29.3795 179.6831 15 Q 3.9008 8.2660 117.7430 59.0561 28.8668 178.4278 16 A 4.0552 8.6197 122.1529 55.3221 18.1343 179.9063 17 I 3.6980 7.9587 118.2525 64.6378 37.3565 178.8654 18 G 3.5924 8.0783 106.4830 47.5486 0.0000 175.5177 19 L 3.7558 8.3870 122.8125 57.9807 42.0460 179.0207 20 S 3.9663 7.7675 115.0707 61.6086 62.7636 176.7567 21 V 3.6136 7.9260 120.8291 66.5765 31.0302 177.9534 22 T 4.0448 7.9986 115.2070 66.8539 68.2074 176.5790 23 F 4.2378 8.4841 119.3902 60.6543 39.0153 177.5558 24 L 4.0956 8.4098 119.1634 58.1027 41.2946 179.7984 25 S 4.3372 8.2620 112.6197 61.2037 61.4493 176.3072 26 F 4.2689 7.9246 120.8103 60.1743 39.0732 178.1111 27 L 4.3235 8.3897 118.8938 58.0639 41.3832 178.9640 28 L 4.0925 8.6199 119.7623 56.7100 41.4967 177.2947 29 P 4.2719 0.0000 0.0000 65.9558 31.4881 178.5012 30 A 4.1697 7.6212 117.0527 55.2106 18.3749 179.7091 31 G 3.7428 8.4016 104.4512 47.8342 0.0000 175.3842 32 W 4.1898 8.8681 131.2021 60.2881 30.5943 177.9132 33 V 3.7258 8.1608 116.9991 66.4165 31.2432 177.8000 34 L 4.1635 8.5215 118.8626 57.8946 41.1892 178.8694 35 Y 4.0347 8.3408 119.1941 60.1266 38.9444 176.7684 36 H 4.2028 7.3796 114.6224 55.0247 28.8805 176.4192 37 L 3.8688 7.1742 123.1548 58.3129 41.3660 178.8116 38 D 4.2314 7.8823 116.8147 57.7296 40.7526 178.0944 39 N 4.1950 7.3672 115.5691 56.3269 38.6856 176.8049 40 Y 4.5146 7.0186 117.6404 61.0609 38.0313 177.9013 41 K 4.2483 8.1393 117.0195 57.7646 32.1627 177.4056 42 K 4.3395 7.2542 118.6523 55.1764 33.1321 175.6049 43 S 4.2653 8.1132 117.6669 59.3014 63.7959 169.4723 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 I 8.01 4.11 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.34 0.91 0.00 0.00 2 T 8.24 4.48 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 3 A 8.70 4.66 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 4 K 8.32 4.27 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.42 7.81 5 P 0.00 4.39 0.00 2.17 2.05 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 1.98 1.96 0.00 6 A 8.40 4.05 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 7 K 8.74 4.18 0.00 1.76 1.88 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 T 7.33 4.64 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 9 P 0.00 4.09 0.00 2.19 2.14 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 10 T 8.11 4.38 4.23 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 1.20 0.00 0.00 11 S 8.31 4.32 0.00 4.04 3.99 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 12 P 0.00 4.19 0.00 2.16 2.15 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 13 K 8.10 3.86 0.00 1.82 1.86 0.00 1.56 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.60 7.81 14 E 7.78 3.96 0.00 2.30 2.00 0.00 0.00 0.00 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 2.36 0.00 15 Q 8.27 3.90 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 16 A 8.62 4.06 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 17 I 7.96 3.70 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.84 0.90 0.00 0.00 18 G 8.08 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 3.76 0.00 1.55 1.41 0.70 -0.10 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 20 S 7.77 3.97 0.00 4.03 3.88 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 0.00 0.00 0.00 21 V 7.93 3.61 2.23 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 1.15 0.00 0.00 1.01 0.00 0.00 22 T 8.00 4.04 4.52 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 0.00 0.00 0.00 1.35 0.00 0.00 23 F 8.48 4.24 0.00 3.23 3.06 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 0.00 0.00 0.00 24 L 8.41 4.10 0.00 1.93 1.80 1.05 1.05 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 25 S 8.26 4.34 0.00 4.04 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 26 F 7.92 4.27 0.00 3.29 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 4.32 0.00 1.74 1.76 0.92 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 28 L 8.62 4.09 0.00 1.68 1.68 0.94 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 29 P 0.00 4.27 0.00 2.17 2.13 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 30 A 7.62 4.17 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 31 G 8.40 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 32 W 8.87 4.19 0.00 3.42 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 3.73 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 1.04 0.00 0.00 1.35 0.00 0.00 34 L 8.52 4.16 0.00 2.00 1.74 0.96 0.67 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 35 Y 8.34 4.03 0.00 2.85 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 36 H 7.38 4.20 0.00 2.38 2.36 0.00 5.71 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.17 3.87 0.00 1.68 1.68 0.92 1.47 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 38 D 7.88 4.23 0.00 2.61 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.37 4.20 0.00 2.27 2.67 0.00 0.00 7.11 7.46 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 40 Y 7.02 4.51 0.00 3.11 2.88 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 0.00 0.00 0.00 41 K 8.14 4.25 0.00 1.84 1.86 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.56 7.81 42 K 7.25 4.34 0.00 1.76 1.71 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.30 7.81 43 S 8.11 4.27 0.00 4.07 3.88 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 0.00 0.00 0.00