NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3169 8.1744 110.9437 61.2774 70.7091 173.6528 6 N 4.7204 7.9802 120.1269 53.0838 39.0933 173.1413 7 S 4.4196 8.1009 112.1736 57.5543 64.7630 172.9156 8 D 4.7870 8.5440 121.9602 54.5896 42.4346 174.4112 9 F 5.3351 7.8334 115.8974 55.2602 41.6811 173.8533 10 V 4.6277 8.7709 111.5027 59.4977 35.6223 174.9487 11 V 4.9172 8.6097 122.8419 61.2871 34.1118 174.3922 12 I 4.9356 8.9398 128.4945 59.3493 40.6609 174.1226 13 K 5.1078 9.3827 128.7388 54.2732 34.5630 175.0398 14 A 4.4720 8.8579 130.1525 52.1356 19.3114 177.4195 15 L 4.7089 8.8129 121.4028 54.4493 42.6954 175.7811 16 E 4.6530 7.6693 115.6252 55.0595 32.1491 174.4390 17 D 4.4112 8.3906 119.2190 55.6096 41.2917 176.6388 18 G 3.8584 8.2789 108.8798 46.2955 0.0000 174.2407 19 V 3.9587 7.5269 119.0844 62.7090 33.0837 174.5387 20 N 5.3415 9.1320 123.3065 51.4291 41.9952 173.4118 21 V 4.5576 8.8957 124.5898 61.3676 33.5775 174.1979 22 I 4.5211 8.5868 129.9973 59.3225 39.6760 175.0436 23 G 4.0276 8.8165 115.3143 45.2446 0.0000 172.4919 24 L 5.4585 8.8531 126.3532 53.0592 44.1161 176.3298 25 T 4.5135 8.7236 114.1728 61.8020 69.2499 174.3045 26 R 4.5328 7.9847 125.8536 57.0779 30.9779 174.8572 27 G 3.7644 8.7695 108.5992 44.1584 0.0000 173.1163 28 A 4.0609 8.6506 121.0129 54.5802 18.6574 177.8387 29 D 4.6621 7.8494 114.3410 53.4405 42.3023 175.9851 30 T 4.5170 8.3484 122.2333 61.7203 69.7465 172.9163 31 R 4.8161 8.5651 122.4429 53.9284 33.8996 174.2983 32 F 5.1354 8.8161 118.5469 58.0695 38.8415 175.2711 33 H 4.9855 8.8827 118.3493 56.4906 30.8452 174.0879 34 H 4.8189 7.6410 117.3138 54.7793 33.4241 172.0762 35 S 4.8325 8.1839 119.5396 56.3252 64.5211 172.6699 36 E 4.2884 8.9601 130.2273 55.2589 30.5548 175.2728 37 K 4.8073 8.6096 127.3521 55.9281 33.4132 176.2392 38 L 4.9160 8.9054 125.6609 53.1190 44.3880 176.3133 39 D 5.0492 9.4857 124.0017 52.5357 43.1658 175.9152 40 K 4.0208 9.1974 121.8925 58.4207 32.3464 176.8805 41 G 4.0538 9.0386 115.4965 45.2843 0.0000 173.6877 42 E 4.2171 8.0053 119.3818 56.3841 30.7715 176.0757 43 V 4.9392 8.2945 121.9719 61.0248 34.1784 174.2103 44 L 4.7413 9.1057 129.8797 53.2660 44.6730 174.7605 45 I 4.9904 8.4210 126.3680 59.5595 39.2359 174.7854 46 A 4.6986 8.8489 128.6019 50.1808 22.2073 175.3575 47 Q 4.8345 8.6171 120.5814 54.8977 30.5003 175.7355 48 F 4.6141 8.4694 120.3819 58.0021 39.8488 175.2924 49 T 4.7141 8.8875 111.4475 59.9774 71.9150 173.7257 50 E 3.9702 8.9984 120.9127 59.4949 29.5945 177.5282 51 H 4.6348 8.2471 113.9459 56.1115 29.9847 174.1666 52 T 5.5118 8.0538 115.0430 60.8957 71.2836 174.3864 53 S 5.0370 8.9596 119.9483 58.0173 64.8227 173.2267 54 A 5.2193 7.8892 121.1591 51.2644 22.5705 175.2663 55 I 5.0102 8.5564 120.2568 59.3490 40.7767 174.7045 56 K 4.5762 9.0513 128.2572 54.5242 34.7654 174.5743 57 V 4.7540 8.4359 127.0377 61.3403 33.1811 174.6570 58 R 4.5610 9.0389 127.0840 55.6821 32.8015 176.5692 59 G 4.1019 9.0115 108.6108 44.2933 0.0000 172.3237 60 K 5.0389 9.1104 119.8265 55.2062 32.9403 175.5390 61 A 5.1513 8.6204 127.8199 50.7958 23.5960 173.5617 62 Y 4.9672 9.1707 121.1151 55.9436 41.2823 174.6024 63 I 4.9018 8.1536 127.0658 59.4714 40.8919 174.3631 64 Q 4.8466 8.9402 125.7357 54.3371 32.1019 174.9275 65 T 4.8970 8.5611 112.6654 59.8033 72.4141 174.4247 66 R 3.7352 8.5512 120.3986 59.6772 29.8993 176.7146 67 H 4.6425 8.1228 112.4716 55.3654 29.3810 174.3391 68 G 3.7341 6.8237 106.1438 44.1499 0.0000 173.2418 69 V 4.7582 7.5560 112.6189 59.9140 34.7096 175.1949 70 I 4.1435 7.4521 118.6029 60.5653 41.9937 172.4525 71 E 5.2471 8.8624 127.0808 54.5003 32.0047 175.9938 72 S 4.5740 8.7079 118.8655 58.1283 64.8764 172.9237 73 E 4.9258 8.6584 120.0140 54.5221 33.1105 176.2508 74 G 3.7337 8.6145 110.0567 45.8399 0.0000 173.6888 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 5 T 8.17 4.32 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 1.22 0.00 0.00 6 N 7.98 4.72 0.00 2.78 2.84 0.00 0.00 7.08 6.75 0.00 0.00 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 S 8.10 4.42 0.00 4.13 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 8 D 8.54 4.79 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.83 5.34 0.00 3.01 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 10 V 8.77 4.63 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.81 0.00 0.00 11 V 8.61 4.92 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 1.13 0.00 0.00 1.16 0.00 0.00 12 I 8.94 4.94 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.36 0.90 0.00 0.00 13 K 9.38 5.11 0.00 1.87 1.83 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.39 7.81 14 A 8.86 4.47 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.81 4.71 0.00 1.64 1.71 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.67 4.65 0.00 2.03 1.90 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 2.20 2.32 0.00 17 D 8.39 4.41 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.28 3.86 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 0.00 0.00 0.00 19 V 7.53 3.96 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 1.06 0.00 0.00 1.02 0.00 0.00 20 N 9.13 5.34 0.00 2.57 2.57 0.00 0.00 6.58 8.49 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 21 V 8.90 4.56 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 0.97 0.00 0.00 0.89 0.00 0.00 22 I 8.59 4.52 1.38 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.37 -0.65 0.00 0.00 23 G 8.82 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.85 5.46 0.00 1.84 1.70 0.98 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.72 4.51 4.32 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 1.39 0.00 0.00 26 R 7.98 4.53 0.00 1.90 2.00 0.00 3.20 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.77 3.76 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 0.00 0.00 0.00 28 A 8.65 4.06 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 29 D 7.85 4.66 0.00 2.64 2.59 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 30 T 8.35 4.52 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 1.27 0.00 0.00 31 R 8.57 4.82 0.00 1.88 1.99 0.00 2.81 0.00 0.00 3.46 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 32 F 8.82 5.14 0.00 2.86 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 33 H 8.88 4.99 0.00 3.14 3.48 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.64 4.82 0.00 3.31 3.13 0.00 5.80 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 35 S 8.18 4.83 0.00 3.62 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.96 4.29 0.00 2.15 1.79 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 2.28 2.32 0.00 37 K 8.61 4.81 0.00 1.64 1.72 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.68 7.81 38 L 8.91 4.92 0.00 1.54 1.55 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.49 5.05 0.00 2.54 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.20 4.02 0.00 1.77 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.50 7.81 41 G 9.04 4.05 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 0.00 0.00 0.00 42 E 8.01 4.22 0.00 1.96 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 2.33 2.34 0.00 43 V 8.29 4.94 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 0.84 0.00 0.00 0.96 0.00 0.00 44 L 9.11 4.74 0.00 1.72 1.46 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.42 4.99 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 0.67 0.00 0.00 46 A 8.85 4.70 1.12 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 0.00 0.00 47 Q 8.62 4.83 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 48 F 8.47 4.61 0.00 3.03 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 49 T 8.89 4.71 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 1.28 0.00 0.00 50 E 9.00 3.97 0.00 1.92 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 2.08 2.28 0.00 51 H 8.25 4.63 0.00 3.26 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.05 5.51 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 53 S 8.96 5.04 0.00 3.84 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 54 A 7.89 5.22 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 55 I 8.56 5.01 1.85 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.66 0.83 0.00 0.00 56 K 9.05 4.58 0.00 1.83 1.58 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.38 7.81 57 V 8.44 4.75 2.07 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 0.85 0.00 0.00 0.90 0.00 0.00 58 R 9.04 4.56 0.00 1.78 1.80 0.00 3.19 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 59 G 9.01 4.10 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 0.00 0.00 0.00 60 K 9.11 5.04 0.00 1.89 1.72 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.26 7.81 61 A 8.62 5.15 1.22 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 0.00 0.00 62 Y 9.17 4.97 0.00 3.02 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 63 I 8.15 4.90 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.85 0.82 0.00 0.00 64 Q 8.94 4.85 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.16 1.93 0.00 65 T 8.56 4.90 4.14 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 1.16 0.00 0.00 66 R 8.55 3.74 0.00 1.57 1.69 0.00 3.13 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 67 H 8.12 4.64 0.00 3.19 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.82 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 69 V 7.56 4.76 1.92 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 0.74 0.00 0.00 1.00 0.00 0.00 70 I 7.45 4.14 1.83 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 1.22 1.32 0.85 0.00 0.00 71 E 8.86 5.25 0.00 1.91 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 2.43 2.40 0.00 72 S 8.71 4.57 0.00 3.99 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 73 E 8.66 4.93 0.00 1.83 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 2.21 2.29 0.00 74 G 8.61 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