NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4469 8.1627 118.3267 55.2782 33.6343 173.3276 2 Q 4.6873 8.2573 120.8677 53.0234 30.8960 172.8140 3 I 4.8031 9.2168 120.1370 59.0786 42.1399 173.3912 4 F 5.1800 9.1178 121.3179 55.6953 41.8604 174.9777 5 V 4.8883 8.8460 122.8529 61.0101 33.9973 174.1593 6 K 5.3004 9.0862 129.0049 54.8295 35.7477 175.6939 7 T 4.9662 8.5185 115.9372 59.8553 70.1492 175.7440 8 L 4.1961 8.3370 121.6263 56.9625 41.8172 178.0769 9 T 4.1856 7.8383 107.6311 61.6980 69.0890 175.4218 10 G 3.9288 8.1558 110.8216 44.9886 0.0000 173.2085 11 K 4.4106 8.1051 122.2162 55.7359 33.5743 175.5741 12 T 5.3372 8.5626 123.3999 61.7574 71.5922 173.0973 13 I 4.9017 8.7736 118.4044 59.3619 41.6088 174.0332 14 T 4.8800 8.4330 112.3876 60.1807 70.8617 173.8172 15 L 4.8355 8.5657 122.6228 53.0857 46.1838 175.1216 16 E 4.8957 8.6740 121.5137 55.3065 30.7859 175.7037 17 V 4.6843 8.6363 117.0356 59.9532 36.5177 174.2189 18 E 4.7069 9.3124 120.3025 53.9505 32.5500 175.9501 19 P 4.1439 0.0000 0.0000 65.9290 31.5288 178.5017 20 S 4.3056 7.9030 110.2078 59.6836 63.6383 174.1903 21 D 4.3969 8.1579 123.7732 54.5142 41.1746 176.4042 22 T 4.7247 8.2706 114.3477 61.1466 71.1871 175.7925 23 I 3.7184 8.4628 122.7505 64.4290 37.0102 178.2093 24 E 3.9157 8.5433 120.5509 59.5916 29.3969 178.6680 25 N 4.2968 8.0776 116.2302 56.3865 38.5205 177.5489 26 V 3.5795 7.8457 119.4916 65.9904 31.6495 178.2199 27 K 4.3326 8.6379 119.5920 58.8635 31.8543 179.1192 28 A 4.0500 8.2264 121.1833 55.1602 17.9735 179.8804 29 K 3.9526 8.0406 116.9950 59.5648 32.0410 179.7263 30 I 3.7721 8.0645 120.4370 64.2936 36.9376 178.0073 31 Q 4.1806 8.4298 122.1463 58.7805 28.6733 178.0872 32 D 4.4985 7.8800 116.9327 55.7502 41.0019 177.5313 33 K 4.5102 7.4988 116.3946 56.3473 33.6722 176.3996 34 E 4.5040 8.3952 116.1410 54.6500 31.3341 177.2847 35 G 3.9115 8.4306 106.6965 45.7065 0.0000 173.8286 36 I 3.9635 7.2841 121.6943 59.7422 37.5290 173.9084 37 P 4.3534 0.0000 0.0000 62.0250 31.9925 175.4960 38 P 4.2685 0.0000 0.0000 65.8671 31.3726 178.0332 39 D 4.4612 8.1173 115.7616 55.1833 39.7693 176.4957 40 Q 4.6252 8.2622 117.7443 55.9910 29.9712 174.6561 41 Q 4.9417 8.1753 119.4701 54.7988 31.3543 174.8145 42 R 4.7733 8.9408 121.5798 54.4351 34.1284 174.2515 43 L 5.2440 8.5454 122.9520 53.1482 44.7506 175.3504 44 I 5.1017 8.7864 123.0076 59.6281 40.9157 174.3397 45 F 4.9011 8.8362 127.3487 57.0619 43.3728 173.7874 46 A 3.5175 8.4033 125.0126 53.1223 15.9547 178.2442 47 G 3.8900 8.3220 104.3821 47.2516 0.0000 174.3071 48 K 4.5692 7.7416 119.1040 53.9579 34.7313 175.0966 49 Q 4.5673 8.5048 124.5275 55.9964 29.5401 175.4107 50 L 4.2523 8.8754 127.1277 54.3159 43.1113 176.2660 51 E 4.4050 9.3409 122.4175 55.5644 30.5606 177.4454 52 D 4.3926 9.1789 124.0069 57.3819 41.0608 178.5139 53 G 3.8104 7.9689 104.7963 45.8647 0.0000 173.4890 54 R 4.4330 8.0816 120.4555 54.6468 31.1378 175.3268 55 T 4.9624 8.0720 111.8421 59.9473 71.1445 175.5595 56 L 4.1083 8.6606 123.2263 58.0504 41.4644 180.1241 57 S 4.0755 8.1693 114.0579 61.7015 62.9513 176.0372 58 D 4.2566 8.0850 122.8997 57.0057 40.3240 177.8602 59 Y 4.7164 7.1434 112.1331 56.7082 38.4225 174.8356 60 N 4.0966 8.0816 117.3983 54.5457 37.8995 174.4191 61 I 3.5849 7.5895 118.4048 60.2063 37.3872 176.1912 62 Q 4.5245 8.1140 125.2417 53.3850 30.6160 175.5289 63 K 4.0596 8.2762 118.3525 58.6323 32.7622 176.7212 64 E 3.9260 9.3407 119.6198 57.2287 27.7975 174.9294 65 S 4.6120 7.8753 115.4221 59.1153 64.3238 173.0624 66 T 5.2505 8.6353 118.0211 62.1087 70.3288 173.9873 67 L 5.0610 9.0684 126.2114 53.5672 44.6735 175.1033 68 H 5.2788 9.0297 119.3561 54.3784 30.9840 173.6525 69 L 5.0982 8.8832 124.7327 53.4861 44.1251 175.4211 70 V 4.5491 8.9346 119.6393 59.5924 34.9977 174.9004 71 L 4.9630 8.4450 123.2511 53.7205 43.7151 176.6509 72 R 4.4388 8.5842 121.6053 54.7278 32.3798 174.3117 73 L 4.5305 8.2219 128.0286 52.8314 44.5342 175.5652 74 R 3.9594 8.7321 125.4060 58.3868 30.1604 177.1392 75 G 3.9594 9.1939 111.8517 45.0546 0.0000 173.2422 76 G 3.7258 8.0106 113.4063 45.5808 0.0000 173.4946 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 8.16 4.45 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.67 0.00 2 Q 8.26 4.69 0.00 2.25 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 3 I 9.22 4.80 1.93 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 1.13 0.60 0.84 0.00 0.00 4 F 9.12 5.18 0.00 3.04 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 5 V 8.85 4.89 2.10 0.00 0.00 0.00 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 0.94 0.00 0.00 6 K 9.09 5.30 0.00 1.82 1.51 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.53 7.81 7 T 8.52 4.97 4.26 0.00 0.00 0.00 0.00 0.00 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 8 L 8.34 4.20 0.00 1.66 1.76 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.84 4.19 4.25 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 0.00 0.00 0.00 1.21 0.00 0.00 10 G 8.16 3.93 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 0.00 0.00 0.00 11 K 8.11 4.41 0.00 1.88 1.70 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.43 7.81 12 T 8.56 5.34 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 1.31 0.00 0.00 13 I 8.77 4.90 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.97 0.00 0.00 14 T 8.43 4.88 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 1.17 0.00 0.00 15 L 8.57 4.84 0.00 1.48 1.48 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.67 4.90 0.00 1.80 1.84 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 0.00 2.18 2.23 0.00 17 V 8.64 4.68 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.87 0.00 0.00 18 E 9.31 4.71 0.00 1.83 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 19 P 0.00 4.14 0.00 2.15 2.10 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 20 S 7.90 4.31 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 21 D 8.16 4.40 0.00 2.84 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.72 4.46 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 0.00 0.00 0.00 1.21 0.00 0.00 23 I 8.46 3.72 2.20 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.10 0.93 0.00 0.00 24 E 8.54 3.92 0.00 2.15 1.97 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 2.32 2.38 0.00 25 N 8.08 4.30 0.00 2.96 2.85 0.00 0.00 6.71 7.81 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 26 V 7.85 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 1.11 0.00 0.00 0.97 0.00 0.00 27 K 8.64 4.33 0.00 1.99 1.85 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.47 7.81 28 A 8.23 4.05 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 29 K 8.04 3.95 0.00 2.02 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.64 7.81 30 I 8.06 3.77 2.15 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 1.41 0.78 0.94 0.00 0.00 31 Q 8.43 4.18 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 32 D 7.88 4.50 0.00 2.86 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 33 K 7.50 4.51 0.00 1.74 1.83 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.43 7.81 34 E 8.40 4.50 0.00 1.99 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 2.21 2.36 0.00 35 G 8.43 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.28 3.96 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.32 0.92 0.00 0.00 37 P 0.00 4.35 0.00 2.30 1.98 0.00 3.63 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 38 P 0.00 4.27 0.00 2.17 2.13 0.00 3.60 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 2.12 2.11 0.00 39 D 8.12 4.46 0.00 2.79 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 40 Q 8.26 4.63 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.31 0.00 41 Q 8.18 4.94 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 42 R 8.94 4.77 0.00 1.67 1.77 0.00 3.38 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 43 L 8.55 5.24 0.00 1.57 1.54 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.79 5.10 1.92 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 1.33 1.00 0.93 0.00 0.00 45 F 8.84 4.90 0.00 3.02 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.40 3.52 1.29 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 47 G 8.32 3.89 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 0.00 0.00 0.00 48 K 7.74 4.57 0.00 1.89 1.68 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.56 7.81 49 Q 8.50 4.57 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.88 4.25 0.00 1.42 1.33 0.69 -0.12 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 51 E 9.34 4.40 0.00 2.04 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 2.38 2.45 0.00 52 D 9.18 4.39 0.00 2.76 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 53 G 7.97 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 54 R 8.08 4.43 0.00 1.88 2.02 0.00 2.78 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.33 0.00 55 T 8.07 4.96 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 1.26 0.00 0.00 56 L 8.66 4.11 0.00 1.81 1.71 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.17 4.08 0.00 4.03 4.21 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 58 D 8.09 4.26 0.00 2.65 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 0.00 0.00 0.00 0.00 59 Y 7.14 4.72 0.00 2.92 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 60 N 8.08 4.10 0.00 2.91 3.01 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 61 I 7.59 3.58 1.76 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.07 0.62 0.00 0.00 62 Q 8.11 4.52 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 63 K 8.28 4.06 0.00 1.85 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.49 7.81 64 E 9.34 3.93 0.00 2.23 2.40 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 2.28 2.49 0.00 65 S 7.88 4.61 0.00 3.89 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 66 T 8.64 5.25 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 1.15 0.00 0.00 67 L 9.07 5.06 0.00 1.58 1.60 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.03 5.28 0.00 3.16 3.22 0.00 5.77 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.88 5.10 0.00 1.75 1.53 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.93 4.55 2.08 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 0.69 0.00 0.00 0.99 0.00 0.00 71 L 8.44 4.96 0.00 1.53 1.59 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.58 4.44 0.00 1.78 1.79 0.00 3.21 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 73 L 8.22 4.53 0.00 1.69 1.45 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.73 3.96 0.00 1.84 1.90 0.00 3.28 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 75 G 9.19 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 0.00 0.00 0.00 76 G 8.01 3.73 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 0.00 0.00 0.00