NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3197 8.2493 123.5799 52.3565 18.9265 175.5332 2 T 4.6139 8.1804 110.9560 59.7322 72.5758 167.8988 3 V 4.4108 8.6586 121.7594 60.9385 34.6029 176.2018 4 K 4.2387 8.7735 127.2093 56.6877 32.1390 177.5127 5 F 5.1204 8.6356 123.3579 57.7186 41.3924 171.8249 6 K 4.3742 7.8932 120.5290 56.1004 33.7617 177.3538 7 Y 4.0595 7.9839 124.8638 59.6535 40.3793 175.7102 8 K 4.3386 8.3491 113.1836 56.7979 32.9284 177.1427 9 G 4.0025 9.2754 109.0596 45.6243 0.0000 173.4119 10 E 4.5470 7.8120 119.4864 53.6761 31.8526 174.8729 11 E 4.3204 8.7114 122.8134 56.3541 30.6251 176.3042 12 L 5.0010 8.2982 121.7355 53.2255 46.4508 175.3715 13 Q 5.1599 8.6412 118.9064 54.2990 32.9366 175.1064 14 V 4.4132 8.1018 115.2191 59.5176 35.0758 174.8358 15 D 4.7345 8.5758 123.9076 53.6072 42.2640 177.2124 16 I 3.6516 8.1479 125.3648 64.0178 37.5485 178.3752 17 S 4.1900 8.0935 115.4555 60.3621 61.5936 175.4050 18 K 4.1369 7.6774 118.9309 57.7284 32.1849 176.6280 19 I 4.2774 7.0136 119.2984 60.7988 35.7761 176.0693 20 K 4.1671 8.5286 124.4957 58.9112 32.8819 178.1239 21 K 4.5352 7.6332 119.5102 56.4247 32.9712 176.5141 22 V 4.6834 8.5973 123.2108 60.4432 34.0964 173.1277 23 W 5.2333 7.6194 121.1678 55.3502 31.2261 174.4971 24 R 4.2473 8.8508 123.9547 55.5601 30.4088 176.4211 25 V 4.2993 8.4588 120.5514 61.6934 34.2118 175.1135 26 G 3.9214 8.6679 113.4660 44.9654 0.0000 172.6604 27 K 4.2300 8.7088 117.2116 59.5889 32.4140 177.6152 28 M 4.3402 7.8170 117.7434 54.8972 32.0662 175.8879 29 I 3.9878 8.4478 125.6601 61.0721 37.7866 176.1460 30 S 4.3516 8.3857 123.6103 58.4435 64.7737 172.9543 31 F 4.5346 7.3384 114.4206 56.4529 41.5631 173.2275 32 T 4.7551 8.5532 109.8385 59.6652 69.4036 172.2055 33 Y 4.4686 8.4996 126.7550 57.1051 39.1942 174.7198 34 D 4.4071 8.2228 124.0195 53.9431 41.9227 176.5744 35 E 4.8582 7.7658 124.4443 53.6907 31.0298 174.5679 36 G 5.0071 9.0631 124.0722 45.0524 0.0000 170.6715 37 G 3.8452 7.7791 106.9740 44.4774 0.0000 175.2462 38 G 5.0805 7.7694 122.0631 46.9065 0.0000 175.1305 39 K 3.8416 7.9397 118.7833 58.9283 32.2764 175.5329 40 T 3.0311 7.9023 121.0037 63.0868 65.0888 171.9449 41 G 3.4882 7.6410 114.6839 45.3605 0.0000 170.7968 42 R 4.3186 7.8102 115.8076 55.3762 34.0255 175.8981 43 G 3.8131 7.5771 107.9803 46.3965 0.0000 170.9487 44 A 4.7175 8.2361 124.0767 51.9030 22.7721 176.5712 45 V 4.4110 7.9673 115.4993 60.8668 34.3803 174.2545 46 S 4.6597 8.7214 120.2085 58.6265 63.4266 173.2988 47 E 4.6728 8.2871 117.6395 56.2177 29.9838 177.4907 48 K 4.1283 8.1400 122.7812 60.3864 32.9487 176.6271 49 D 4.6528 7.4465 115.2276 53.5272 42.2795 174.0362 50 A 4.2784 7.7057 125.2797 50.2864 19.9075 176.2570 51 P 4.4785 0.0000 0.0000 62.5497 32.9450 177.9123 52 K 4.0020 8.4165 117.7907 59.0435 32.1463 179.2306 53 E 4.1684 8.0244 118.1587 58.3809 29.7168 178.3958 54 L 4.0068 7.7455 120.3115 57.7471 42.2537 178.5547 55 L 4.0798 7.5396 118.6368 57.4594 41.3834 179.1161 56 Q 4.1090 7.5884 116.0520 58.3118 28.7801 177.9683 57 M 4.1381 7.7141 118.8640 58.5916 32.4613 178.0564 58 L 4.2486 7.4615 117.0044 57.0655 43.1837 178.4894 59 E 4.2564 7.6171 120.4291 55.2459 27.7502 175.5743 60 K 4.2643 7.8054 119.4890 55.5320 31.1993 177.4481 61 Q 4.1078 8.3732 122.0766 57.4322 29.3688 176.5333 62 K 4.0468 7.6475 121.8017 57.0047 32.0332 174.8955 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 A 8.25 4.32 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 2 T 8.18 4.61 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 3 V 8.66 4.41 1.99 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 1.01 0.00 0.00 0.85 0.00 0.00 4 K 8.77 4.24 0.00 1.71 1.74 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.44 7.81 5 F 8.64 5.12 0.00 3.05 2.89 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 6 K 7.89 4.37 0.00 1.82 1.74 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.70 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.27 7.81 7 Y 7.98 4.06 0.00 2.84 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 8 K 8.35 4.34 0.00 1.67 1.37 0.00 1.59 0.00 0.00 1.37 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.58 1.13 7.81 9 G 9.28 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 0.00 0.00 0.00 10 E 7.81 4.55 0.00 2.03 1.86 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 2.30 2.28 0.00 11 E 8.71 4.32 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 12 L 8.30 5.00 0.00 2.02 1.55 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.64 5.16 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 14 V 8.10 4.41 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.70 0.00 0.00 15 D 8.58 4.73 0.00 2.75 2.52 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 0.00 16 I 8.15 3.65 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.46 0.84 0.00 0.00 17 S 8.09 4.19 0.00 4.03 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 18 K 7.68 4.14 0.00 1.69 1.89 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.63 7.81 19 I 7.01 4.28 1.80 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.62 0.92 0.00 0.00 20 K 8.53 4.17 0.00 1.79 1.89 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.70 7.81 21 K 7.63 4.54 0.00 1.88 2.19 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.66 7.81 22 V 8.60 4.68 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 0.69 0.00 0.00 0.87 0.00 0.00 23 W 7.62 5.23 0.00 3.08 3.20 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 0.00 0.00 0.00 0.00 24 R 8.85 4.25 0.00 1.88 1.94 0.00 3.26 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 25 V 8.46 4.30 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 0.79 0.00 0.00 1.03 0.00 0.00 26 G 8.67 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 0.00 0.00 0.00 27 K 8.71 4.23 0.00 1.78 1.89 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.47 7.81 28 M 7.82 4.34 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 29 I 8.45 3.99 1.84 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 1.21 1.36 0.82 0.00 0.00 30 S 8.39 4.35 0.00 3.07 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.34 4.53 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.55 4.76 4.27 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 1.40 0.00 0.00 33 Y 8.50 4.47 0.00 3.05 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.22 4.41 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.77 4.86 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 36 G 9.06 5.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.78 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 G 7.77 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.94 3.84 0.00 1.73 1.84 0.00 1.90 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 40 T 7.90 3.03 4.17 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 1.13 0.00 0.00 41 G 7.64 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.81 4.32 0.00 1.57 1.67 0.00 3.22 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.63 0.00 43 G 7.58 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.24 4.72 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 45 V 7.97 4.41 2.01 0.00 0.00 0.00 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 0.98 0.00 0.00 46 S 8.72 4.66 0.00 3.92 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 47 E 8.29 4.67 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 48 K 8.14 4.13 0.00 1.75 1.89 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.43 7.81 49 D 7.45 4.65 0.00 2.62 2.52 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 0.00 50 A 7.71 4.28 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 51 P 0.00 4.48 0.00 2.12 1.96 0.00 3.53 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 2.04 2.13 0.00 52 K 8.42 4.00 0.00 1.78 1.83 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.51 7.81 53 E 8.02 4.17 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 54 L 7.75 4.01 0.00 1.64 1.59 0.76 0.59 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 55 L 7.54 4.08 0.00 1.83 1.68 0.91 0.80 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 56 Q 7.59 4.11 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 57 M 7.71 4.14 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 58 L 7.46 4.25 0.00 1.67 1.70 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.62 4.26 0.00 2.26 1.91 0.00 0.00 0.00 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 2.27 0.00 60 K 7.81 4.26 0.00 1.74 1.79 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.60 7.81 61 Q 8.37 4.11 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 62 K 7.65 4.05 0.00 1.64 1.60 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.46 7.81