NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4656 8.3049 120.3284 55.1870 32.1399 173.6453 2 K 4.6449 8.1016 122.2615 54.0458 37.1337 174.2554 3 C 5.7035 9.2175 120.6321 53.9054 46.8004 172.7772 4 K 4.5390 8.8314 128.4578 56.1971 32.7919 175.7204 5 I 4.5340 8.4378 128.6017 59.7535 39.9136 174.1816 6 C 4.8351 8.8228 124.7017 55.7735 45.1239 172.9000 7 N 4.5521 8.9030 124.3827 53.9106 39.1934 174.5216 8 F 4.1078 8.9357 119.2012 57.5623 40.4959 176.2415 9 D 4.5352 8.8067 120.5621 54.6736 39.9860 173.4051 10 T 4.2094 7.3200 106.8644 61.4061 69.7739 172.0922 11 C 4.1580 8.1718 122.2211 56.2160 43.2581 172.5085 12 R 4.1529 8.4018 124.0779 55.7898 31.5320 176.5795 13 A 4.3063 7.7124 119.3680 51.5370 20.3809 178.0092 14 G 3.8970 7.7002 102.6264 46.3723 0.0000 173.0455 15 E 4.5378 8.3356 119.4456 54.4497 31.2701 175.6215 16 L 5.1035 8.4572 126.8671 53.2927 43.8164 175.3888 17 K 4.3456 8.8624 129.1329 56.0224 37.1965 175.6568 18 V 4.8036 8.5944 111.9109 59.3272 35.3439 175.6108 19 C 5.3760 8.2151 126.7130 58.6450 41.8189 176.2992 20 A 4.7642 8.0768 124.0667 51.8295 15.4099 176.4943 21 S 4.5181 8.9788 115.6089 57.2919 64.6747 176.7779 22 G 4.5990 7.5393 119.6906 46.3558 0.0000 173.2293 23 E 4.2202 7.4186 119.5583 57.6908 30.2673 175.8143 24 K 4.1812 7.5083 115.8631 54.7697 36.4666 173.3669 25 Y 5.1523 7.3930 117.1086 55.1866 42.0552 174.1219 26 C 4.9963 9.2362 117.1085 57.0636 37.2297 172.8715 27 F 5.6678 10.4218 124.2245 56.4592 41.7626 173.7397 28 K 4.6964 9.2605 125.9868 54.9316 35.3307 174.8105 29 E 5.0520 8.6007 123.1089 54.8727 33.8049 174.9466 30 S 4.9247 8.8574 118.9936 56.9431 64.7660 171.5367 31 W 4.4356 9.7920 135.0000 56.6385 31.6675 174.8036 32 R 4.6393 8.2285 129.1073 55.1549 29.3955 174.9796 33 E 4.8732 8.9561 126.9744 53.7692 32.6257 176.7080 34 A 4.1412 8.6240 125.2112 55.2515 18.7222 179.5568 35 R 4.0486 8.2484 114.2357 58.1424 30.6911 176.4679 36 G 3.9879 6.7805 103.8003 45.7920 0.0000 171.0045 37 T 5.2699 8.4101 108.4209 59.9218 71.7951 173.9982 38 R 4.6293 9.0954 122.0791 54.8249 33.6637 174.1618 39 I 4.8355 8.5694 124.8486 59.9971 39.3673 174.8130 40 E 4.9084 8.9701 125.0255 54.8277 33.7011 174.3198 41 R 5.2228 7.3458 116.1035 55.8692 32.4735 174.9454 42 G 3.8664 7.6734 104.7014 44.6332 0.0000 172.3720 43 C 4.7684 8.1235 119.2248 55.2329 47.0776 172.7849 44 A 4.5059 8.6162 125.5610 51.9194 21.9793 176.7289 45 A 3.9423 8.3066 117.9084 51.9227 20.5770 176.7415 46 T 4.3408 8.1096 113.9574 63.6103 70.8719 174.8492 47 C 3.9527 8.2277 119.3902 56.7366 41.1035 169.5094 48 P 4.4274 0.0000 0.0000 62.0302 32.6082 175.3664 49 K 4.6100 8.1471 117.5044 54.6862 35.3406 175.2206 50 G 4.7063 8.0878 108.0717 44.6181 0.0000 174.0440 51 S 4.3532 7.6010 106.5713 56.9439 61.9152 173.2510 52 V 3.3975 7.9255 124.3199 62.9541 31.8163 172.4733 53 Y 4.6712 7.3236 119.2330 56.6554 39.5927 173.7456 54 G 3.9262 8.0721 110.4752 47.1241 0.0000 173.1007 55 L 3.8576 7.1239 126.7941 52.9735 42.7087 174.3644 56 Y 4.7548 8.7745 128.2643 57.1700 39.0661 174.0318 57 V 4.8060 7.8393 126.0023 59.8770 34.0627 174.6159 58 L 4.6302 8.8543 124.1208 54.0023 46.0861 171.5193 59 C 5.6494 8.4855 116.1923 53.9270 45.6676 173.7969 60 C 5.2319 9.0977 117.8277 55.1648 43.9570 174.3735 61 T 4.9482 7.9294 113.5061 60.7885 67.3931 172.3328 62 T 4.4793 7.5965 115.7637 60.8702 70.2123 171.3579 63 D 4.4935 8.6806 119.2692 55.9079 41.2781 174.2278 64 D 4.5561 8.3648 124.7784 55.8034 40.9690 175.6625 65 C 4.4143 8.3620 121.2830 58.9948 42.8450 173.3881 66 N 4.3315 8.3778 123.6574 53.2901 38.3492 173.6423 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 8.30 4.47 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 2 K 8.10 4.64 0.00 1.66 1.80 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.51 7.81 3 C 9.22 5.70 0.00 2.94 2.91 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 4 K 8.83 4.54 0.00 1.82 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.47 7.81 5 I 8.44 4.53 2.06 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 1.11 0.62 0.90 0.00 0.00 6 C 8.82 4.84 0.00 2.90 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 7 N 8.90 4.55 0.00 2.69 2.80 0.00 0.00 7.05 8.19 0.00 0.00 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 F 8.94 4.11 0.00 3.17 3.05 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 0.00 0.00 0.00 9 D 8.81 4.54 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.32 4.21 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 1.25 0.00 0.00 11 C 8.17 4.16 0.00 2.86 3.01 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 12 R 8.40 4.15 0.00 1.80 1.92 0.00 3.24 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 13 A 7.71 4.31 1.28 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 0.00 0.00 14 G 7.70 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.34 4.54 0.00 1.92 1.88 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 2.25 2.23 0.00 16 L 8.46 5.10 0.00 1.65 1.54 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.86 4.35 0.00 1.82 1.38 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.42 7.81 18 V 8.59 4.80 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 0.86 0.00 0.00 0.94 0.00 0.00 19 C 8.22 5.38 0.00 3.00 3.14 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 20 A 8.08 4.76 1.36 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 0.00 0.00 0.00 21 S 8.98 4.52 0.00 3.98 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 22 G 7.54 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 4.22 0.00 1.86 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 2.25 2.20 0.00 24 K 7.51 4.18 0.00 1.66 1.66 0.00 1.39 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.45 7.81 25 Y 7.39 5.15 0.00 3.12 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 26 C 9.24 5.00 0.00 3.32 3.12 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 27 F 10.42 5.67 0.00 3.10 3.10 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 0.00 0.00 0.00 0.00 28 K 9.26 4.70 0.00 1.73 1.81 0.00 1.28 0.00 0.00 1.49 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.17 7.81 29 E 8.60 5.05 0.00 1.78 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 2.31 2.65 0.00 30 S 8.86 4.92 0.00 3.89 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 31 W 9.79 4.44 0.00 3.60 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 32 R 8.23 4.64 0.00 1.37 1.21 0.00 3.24 0.00 0.00 2.93 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.54 0.00 33 E 8.96 4.87 0.00 2.17 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 2.24 2.32 0.00 34 A 8.62 4.14 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 35 R 8.25 4.05 0.00 1.83 2.01 0.00 3.31 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 36 G 6.78 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 37 T 8.41 5.27 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 1.26 0.00 0.00 38 R 9.10 4.63 0.00 1.81 1.87 0.00 3.04 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 39 I 8.57 4.84 2.04 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.48 1.04 0.00 0.00 40 E 8.97 4.91 0.00 1.78 1.62 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 2.20 2.39 0.00 41 R 7.35 5.22 0.00 1.63 1.80 0.00 3.08 0.00 0.00 3.05 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 42 G 7.67 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 0.00 0.00 0.00 43 C 8.12 4.77 0.00 2.97 2.99 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 44 A 8.62 4.51 1.28 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 0.00 0.00 45 A 8.31 3.94 1.02 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 0.00 0.00 0.00 0.00 0.00 46 T 8.11 4.34 4.18 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 1.19 0.00 0.00 47 C 8.23 3.95 0.00 2.62 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.43 0.00 2.10 1.95 0.00 3.46 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 49 K 8.15 4.61 0.00 1.68 1.73 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.27 1.33 7.81 50 G 8.09 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.60 4.35 0.00 3.73 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.93 3.40 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 0.77 0.00 0.00 0.94 0.00 0.00 53 Y 7.32 4.67 0.00 2.88 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 54 G 8.07 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 55 L 7.12 3.86 0.00 0.97 0.13 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.77 4.75 0.00 2.87 2.96 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 57 V 7.84 4.81 2.12 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 0.82 0.00 0.00 1.02 0.00 0.00 58 L 8.85 4.63 0.00 1.23 1.30 0.46 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 59 C 8.49 5.65 0.00 2.52 2.81 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 60 C 9.10 5.23 0.00 2.96 2.99 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 61 T 7.93 4.95 4.39 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 1.25 0.00 0.00 62 T 7.60 4.48 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 63 D 8.68 4.49 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.36 4.56 0.00 2.90 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 65 C 8.36 4.41 0.00 3.00 3.12 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 66 N 8.38 4.33 0.00 2.99 2.60 0.00 0.00 7.24 7.23 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