NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4196 8.1576 122.0442 56.3964 33.9459 174.3436 2 E 4.5543 9.2158 121.5073 53.1395 32.8618 174.1479 3 G 2.4303 6.6265 107.2451 45.3494 0.0000 171.5273 4 Y 4.6990 7.4230 116.9104 57.2272 38.9818 175.9228 5 L 4.6218 8.5999 124.3859 55.1306 43.1399 176.5211 6 V 4.8996 8.2181 119.5231 60.1895 34.8081 174.7535 7 K 4.3364 9.0388 123.4934 55.7055 32.7314 178.3458 8 K 4.0480 8.8585 125.8113 59.2044 32.7522 178.4163 9 S 4.2776 8.2432 113.1491 60.7536 63.1827 174.5670 10 D 4.7128 7.9092 117.9391 51.5403 40.4269 177.1005 11 G 4.0945 8.2239 107.3561 46.6978 0.0000 172.7639 12 C 4.9294 8.2543 117.2798 55.1583 42.5052 173.6073 13 K 4.8552 8.1401 119.8135 56.1750 33.0224 176.3711 14 Y 4.2093 8.7813 119.8651 57.2445 38.7186 175.7554 15 G 4.2876 8.7395 112.3280 46.5140 0.0000 171.0225 16 C 5.1228 9.1074 114.7250 54.4025 44.9235 174.5214 17 L 4.3802 8.7570 119.1330 55.3312 43.0906 176.7712 18 K 4.3998 7.8543 117.7006 54.3987 31.8534 176.2327 19 L 4.1082 8.1241 124.5851 55.8672 43.2052 178.1579 20 G 3.9924 9.0934 108.0183 44.0665 0.0000 173.2395 21 E 4.1508 8.5645 124.3168 56.8463 30.1564 176.9845 22 N 4.6742 8.4744 123.5497 51.7183 41.4356 174.6225 23 E 4.1134 8.9316 128.4051 59.4669 29.9842 179.1830 24 G 3.5897 8.1142 106.2375 47.7538 0.0000 176.2769 25 C 4.2823 8.4522 119.0912 59.7279 41.1229 175.7421 26 D 4.0856 8.1258 119.7074 57.3972 40.7420 178.4619 27 T 3.8497 8.0461 116.4512 66.6543 68.2654 176.3797 28 E 3.8632 7.7629 119.6686 59.0544 29.8610 178.0716 29 C 4.0814 7.9533 118.9036 62.4431 31.4611 175.6880 30 K 4.3182 8.1901 119.2695 56.9814 32.3318 177.6663 31 A 4.1243 7.2016 122.1360 52.1147 18.6722 178.7023 32 K 4.2552 8.5828 120.0492 58.8221 32.3669 178.7531 33 N 4.5864 8.1653 114.7463 54.4497 37.4149 174.7916 34 Q 4.1768 7.6992 115.7111 57.8627 31.0412 176.9251 35 G 3.7971 8.7175 103.5117 45.4727 0.0000 173.4394 36 G 4.0072 7.9016 108.0928 46.2452 0.0000 175.0089 37 S 4.6935 8.8680 115.3939 60.4670 64.2247 175.1559 38 Y 4.9023 7.5384 117.7569 56.6482 41.8239 173.5383 39 G 4.4149 8.5445 113.3183 44.8458 0.0000 170.7661 40 Y 4.8692 8.1483 117.7778 56.2057 42.3784 172.2007 41 C 5.2115 9.2002 120.3034 55.4404 41.8779 171.5800 42 Y 4.6938 8.9408 127.2453 55.8986 41.5514 175.0823 43 A 3.0538 8.7706 130.0995 53.3363 16.4775 176.8640 44 F 4.2609 8.1009 112.9198 59.5369 36.4528 174.5605 45 A 5.3014 7.9171 120.9982 50.4466 23.3077 175.5033 46 C 4.9428 9.2901 117.8090 56.5589 42.6032 172.8063 47 W 4.9076 9.1082 134.7284 55.7167 33.0839 174.2472 48 C 4.8943 7.6588 125.4793 57.6860 34.4729 172.4690 49 E 4.6100 9.2010 125.9389 55.3963 31.8564 176.5579 50 G 3.9434 8.6501 109.4937 46.4158 0.0000 173.6129 51 L 4.2187 7.7865 119.2933 53.1268 42.4434 175.6941 52 P 4.4339 0.0000 0.0000 62.5145 31.9563 177.2688 53 E 3.9702 8.7607 119.9630 59.5901 29.4672 178.6498 54 S 4.2833 7.9069 111.1799 59.8981 63.6263 174.0977 55 T 4.2753 7.5177 119.4934 61.7149 68.9937 172.9014 56 P 4.3376 0.0000 0.0000 62.9707 31.9445 175.4236 57 T 4.7826 8.0017 110.7310 59.5879 71.9460 172.6534 58 Y 4.3435 8.7043 123.7902 56.9500 39.2427 173.2347 59 P 3.5898 0.0000 0.0000 61.3166 33.1490 175.2396 60 L 4.1745 8.0895 124.1655 53.8584 42.5712 176.0293 61 P 4.2841 0.0000 0.0000 65.4930 31.6660 177.4788 62 N 4.4004 8.0399 115.7793 55.6795 38.5725 175.2317 63 K 4.3041 7.8084 119.6491 55.3649 35.0343 174.6986 64 S 4.4374 8.4546 121.5551 57.3874 64.3937 174.6359 65 C 4.9196 8.6319 120.4120 56.5527 44.4408 173.2017 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 K 8.16 4.42 0.00 1.92 1.91 0.00 1.58 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.38 7.81 2 E 9.22 4.55 0.00 1.84 1.74 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 2.21 2.57 0.00 3 G 6.63 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.42 4.70 0.00 3.09 2.93 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 0.00 0.00 0.00 0.00 5 L 8.60 4.62 0.00 1.62 1.53 0.47 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.22 4.90 2.25 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 0.83 0.00 0.00 1.14 0.00 0.00 7 K 9.04 4.34 0.00 1.79 1.66 0.00 1.57 0.00 0.00 1.21 0.00 0.00 2.19 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.75 0.81 7.81 8 K 8.86 4.05 0.00 1.74 1.86 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 9 S 8.24 4.28 0.00 4.00 3.96 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 0.00 0.00 0.00 10 D 7.91 4.71 0.00 2.86 2.86 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 0.00 0.00 0.00 11 G 8.22 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 0.00 0.00 0.00 12 C 8.25 4.93 0.00 2.95 2.94 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 0.00 0.00 0.00 13 K 8.14 4.86 0.00 1.41 1.66 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.16 0.46 7.81 14 Y 8.78 4.21 0.00 2.98 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.74 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 0.00 0.00 0.00 0.00 16 C 9.11 5.12 0.00 3.06 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.76 4.38 0.00 1.70 1.82 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.85 4.40 0.00 1.77 1.80 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.48 7.81 19 L 8.12 4.11 0.00 1.51 1.40 0.58 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 20 G 9.09 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 0.00 0.00 0.00 21 E 8.56 4.15 0.00 2.00 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 2.36 2.44 0.00 22 N 8.47 4.67 0.00 2.92 2.67 0.00 0.00 7.02 7.93 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 23 E 8.93 4.11 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 24 G 8.11 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 25 C 8.45 4.28 0.00 2.98 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 26 D 8.13 4.09 0.00 2.87 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 27 T 8.05 3.85 4.36 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 1.20 0.00 0.00 28 E 7.76 3.86 0.00 1.81 1.71 0.00 0.00 0.00 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 1.86 0.00 29 C 7.95 4.08 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.19 4.32 0.00 1.83 1.85 0.00 1.97 0.00 0.00 1.59 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.43 7.81 31 A 7.20 4.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.58 4.26 0.00 1.79 1.86 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.37 7.81 33 N 8.17 4.59 0.00 2.83 2.95 0.00 0.00 6.10 7.41 0.00 0.00 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 Q 7.70 4.18 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.29 0.00 0.00 0.00 0.00 0.00 2.22 2.52 0.00 35 G 8.72 3.80 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 0.00 0.00 0.00 36 G 7.90 4.01 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 S 8.87 4.69 0.00 3.78 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 38 Y 7.54 4.90 0.00 3.09 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 39 G 8.54 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.87 0.00 3.21 2.87 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 41 C 9.20 5.21 0.00 3.09 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.94 4.69 0.00 2.99 2.76 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 43 A 8.77 3.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.10 4.26 0.00 3.28 3.28 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 45 A 7.92 5.30 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 9.29 4.94 0.00 2.95 2.98 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 47 W 9.11 4.91 0.00 3.00 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 0.00 0.00 0.00 0.00 48 C 7.66 4.89 0.00 2.68 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 0.00 0.00 0.00 0.00 49 E 9.20 4.61 0.00 2.19 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 0.00 2.37 2.51 0.00 50 G 8.65 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.79 4.22 0.00 1.67 1.52 0.70 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.43 0.00 2.19 2.16 0.00 3.79 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 53 E 8.76 3.97 0.00 1.96 2.05 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 2.30 2.24 0.00 54 S 7.91 4.28 0.00 3.96 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 55 T 7.52 4.28 4.30 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 1.22 0.00 0.00 56 P 0.00 4.34 0.00 2.19 2.05 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 57 T 8.00 4.78 4.31 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 1.06 0.00 0.00 58 Y 8.70 4.34 0.00 3.10 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 59 P 0.00 3.59 0.00 1.72 1.12 0.00 3.71 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 60 L 8.09 4.17 0.00 1.74 1.70 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.28 0.00 2.19 2.13 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 62 N 8.04 4.40 0.00 2.72 2.91 0.00 0.00 6.63 7.59 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 63 K 7.81 4.30 0.00 1.73 1.61 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.52 7.81 64 S 8.45 4.44 0.00 4.02 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 8.63 4.92 0.00 3.35 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00