NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2785 8.2644 123.5826 51.8848 19.3366 175.7835 3 E 4.1560 8.4966 124.7922 55.4152 31.2805 173.6736 4 I 4.4558 9.1741 129.2811 60.9461 38.1517 175.0880 5 K 4.3754 9.1674 127.6273 55.3556 34.3497 175.2014 6 H 4.7166 8.3045 122.3922 54.6163 31.3543 173.1729 7 Y 4.9670 8.7342 123.2487 56.1578 41.5424 174.4050 8 Q 4.9924 8.3551 122.4144 54.4649 31.6957 174.2887 9 F 4.9086 9.8025 125.8236 55.8737 42.3089 174.7396 10 N 5.1129 8.8732 121.4135 52.6065 39.5210 173.1389 11 V 4.6692 8.2136 126.4831 60.9019 33.6018 176.6357 12 V 3.9896 9.0251 129.2729 62.7729 29.5935 173.5725 13 M 4.6402 8.1616 123.5665 53.4478 33.9480 176.1182 14 T 4.4681 8.5598 118.7800 63.8750 71.3763 173.2074 15 C 4.9594 7.5544 114.2780 55.2189 33.1741 174.6193 16 S 4.4336 8.0024 115.0990 60.4820 62.3643 176.5490 17 G 3.6044 8.0349 109.6664 47.7430 0.0000 175.4323 18 C 4.1641 8.0183 119.3218 62.7727 27.8220 176.4163 19 S 4.2864 8.0791 115.5138 61.2420 62.7397 176.4171 20 G 3.6190 8.2247 109.1741 47.5645 0.0000 175.5664 21 A 3.9856 8.1476 123.1868 54.6934 18.4718 179.8756 22 V 3.4585 7.6003 116.3368 66.1600 31.5586 177.4871 23 N 4.2419 8.6555 117.0977 56.7875 38.5575 176.5775 24 K 3.9154 8.2552 121.0178 59.7421 32.1229 179.1962 25 V 3.7137 7.4697 110.7753 63.9452 31.7711 178.3167 26 L 4.1858 7.8882 118.9632 58.0193 41.3067 179.5385 27 T 3.9565 8.3589 116.0933 66.3067 68.1432 176.6911 28 K 4.0974 7.7674 119.5168 58.2360 32.3177 177.4678 29 L 4.6187 7.7729 118.1455 54.2694 42.3752 176.3748 30 E 4.8178 7.8888 118.6917 55.3114 29.8025 175.2178 31 P 4.6040 0.0000 0.0000 63.4120 32.2485 176.8885 32 D 4.3814 8.1025 120.3355 57.4210 41.0275 176.4518 33 V 4.2110 7.9974 120.8579 62.5355 31.5466 175.9515 34 S 4.6740 8.7885 122.3219 58.8044 64.7709 174.4288 35 K 4.6459 7.9146 121.3025 54.9348 35.6635 174.4842 36 I 5.1160 8.4768 127.0269 59.5960 40.2387 174.3647 37 D 4.7759 9.4692 126.5452 52.7237 43.8004 173.9680 38 I 4.7704 8.4537 127.0184 59.6191 39.4119 175.3576 39 S 4.5191 9.1443 123.3684 56.4600 63.1479 174.3056 40 L 3.9772 8.6857 130.3929 58.2509 42.2096 179.0892 41 E 3.9956 8.2530 116.4491 59.0339 29.4611 177.8476 42 K 4.2761 8.2523 115.3768 55.7149 32.9243 176.2655 43 Q 3.5546 7.7670 117.5033 57.2898 26.9967 172.8975 44 L 5.3729 7.8864 115.6664 52.9445 46.0306 176.7913 45 V 4.8545 8.9928 121.9322 61.4551 34.5633 173.7051 46 D 5.4835 9.5793 128.8754 52.8319 43.1365 175.7621 47 V 4.9475 9.0947 123.3058 61.3042 35.0866 173.5502 48 Y 5.0960 8.8557 125.1028 56.6756 40.4433 174.6440 49 T 5.0669 8.7922 117.9607 61.4679 71.1298 173.9068 50 T 4.6882 8.2979 115.5061 62.1646 69.5119 175.1198 51 L 4.3506 7.8635 122.5530 53.4455 43.0283 175.5201 52 P 4.6832 0.0000 0.0000 62.2092 33.3123 176.9382 53 Y 3.1651 8.5745 121.2949 61.1812 38.5684 178.7965 54 D 4.3727 8.2213 118.8688 56.9576 40.9415 178.4017 55 F 3.9375 8.2110 120.9278 61.3951 39.5457 177.0913 56 I 3.7099 7.7608 118.9701 64.0945 36.8044 178.0227 57 L 3.3461 7.8011 121.5087 58.0320 41.7827 178.7382 58 E 3.7481 7.8991 118.9332 59.1303 29.3390 178.6215 59 K 3.6729 7.3283 117.2505 59.7001 32.3886 179.0087 60 I 3.7040 7.5245 119.7060 64.2162 36.9826 178.6328 61 K 3.8868 8.1829 119.7059 59.3284 31.6041 179.2055 62 K 4.0075 8.0716 118.6093 59.8365 32.0184 178.7924 63 T 4.0218 7.5537 108.5980 62.9790 68.8716 175.6572 64 G 3.9419 8.3858 110.3991 44.9773 0.0000 174.0669 65 K 4.1304 7.3850 119.0021 56.0471 32.9028 176.2258 66 E 4.1995 8.5790 123.2799 56.0484 31.0628 175.1798 67 V 4.7639 8.3426 126.4417 61.6140 33.1441 175.3656 68 R 4.5630 8.9891 128.0302 54.6313 32.6884 176.9851 69 S 4.3376 8.4327 114.8609 59.2637 63.0033 174.5201 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 2 A 8.26 4.28 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 3 E 8.50 4.16 0.00 2.20 1.83 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 2.36 2.47 0.00 4 I 9.17 4.46 1.90 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 1.36 0.67 0.98 0.00 0.00 5 K 9.17 4.38 0.00 1.47 1.21 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.35 7.81 6 H 8.30 4.72 0.00 2.76 2.93 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.73 4.97 0.00 2.86 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 8 Q 8.36 4.99 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.51 0.00 9 F 9.80 4.91 0.00 2.94 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 10 N 8.87 5.11 0.00 2.89 2.79 0.00 0.00 6.56 7.71 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 11 V 8.21 4.67 2.11 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 0.78 0.00 0.00 0.97 0.00 0.00 12 V 9.03 3.99 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 0.80 0.00 0.00 0.97 0.00 0.00 13 M 8.16 4.64 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.53 0.00 14 T 8.56 4.47 4.24 0.00 0.00 0.00 0.00 0.00 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 15 C 7.55 4.96 0.00 3.04 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 16 S 8.00 4.43 0.00 4.07 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 0.00 17 G 8.03 3.60 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 18 C 8.02 4.16 0.00 3.20 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 19 S 8.08 4.29 0.00 4.06 4.13 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 0.00 0.00 0.00 0.00 20 G 8.22 3.62 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 0.00 0.00 0.00 21 A 8.15 3.99 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 22 V 7.60 3.46 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 0.95 0.00 0.00 0.94 0.00 0.00 23 N 8.66 4.24 0.00 2.92 2.97 0.00 0.00 6.92 6.62 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 24 K 8.26 3.92 0.00 2.03 1.90 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 25 V 7.47 3.71 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 0.76 0.00 0.00 0.95 0.00 0.00 26 L 7.89 4.19 0.00 1.74 1.75 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.36 3.96 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 1.22 0.00 0.00 28 K 7.77 4.10 0.00 1.87 1.90 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.49 7.81 29 L 7.77 4.62 0.00 1.87 1.75 1.07 0.95 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 30 E 7.89 4.82 0.00 1.95 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 2.59 2.30 0.00 31 P 0.00 4.60 0.00 2.18 2.16 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 32 D 8.10 4.38 0.00 2.92 2.75 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 0.00 0.00 0.00 0.00 33 V 8.00 4.21 2.14 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 1.06 0.00 0.00 1.04 0.00 0.00 34 S 8.79 4.67 0.00 3.88 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 35 K 7.91 4.65 0.00 1.58 1.33 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.32 7.81 36 I 8.48 5.12 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 0.97 0.00 0.00 37 D 9.47 4.78 0.00 2.84 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 38 I 8.45 4.77 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 0.94 0.00 0.00 39 S 9.14 4.52 0.00 3.87 3.78 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 0.00 0.00 0.00 40 L 8.69 3.98 0.00 1.73 1.66 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.25 4.00 0.00 1.99 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 0.00 2.32 2.40 0.00 42 K 8.25 4.28 0.00 1.76 1.86 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.42 7.81 43 Q 7.77 3.55 0.00 2.26 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.74 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 44 L 7.89 5.37 0.00 1.63 1.57 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.99 4.85 2.24 0.00 0.00 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 0.98 0.00 0.00 46 D 9.58 5.48 0.00 2.85 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 47 V 9.09 4.95 2.46 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 1.01 0.00 0.00 1.21 0.00 0.00 48 Y 8.86 5.10 0.00 2.88 2.78 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 0.00 0.00 0.00 49 T 8.79 5.07 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 1.46 0.00 0.00 50 T 8.30 4.69 4.24 0.00 0.00 0.00 0.00 0.00 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 51 L 7.86 4.35 0.00 1.80 1.55 0.95 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.68 0.00 2.28 2.06 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 53 Y 8.57 3.17 0.00 2.42 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 54 D 8.22 4.37 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.21 3.94 0.00 3.19 3.25 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 0.00 56 I 7.76 3.71 2.04 0.00 0.00 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 1.90 1.33 0.87 0.00 0.00 57 L 7.80 3.35 0.00 1.42 1.67 0.93 0.94 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 58 E 7.90 3.75 0.00 2.00 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 0.00 1.99 2.09 0.00 59 K 7.33 3.67 0.00 1.77 1.73 0.00 1.66 0.00 0.00 1.47 0.00 0.00 2.40 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.04 1.47 7.81 60 I 7.52 3.70 1.56 0.00 0.00 -0.15 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 0.28 0.71 0.00 0.00 61 K 8.18 3.89 0.00 1.91 1.78 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.39 7.81 62 K 8.07 4.01 0.00 1.82 1.83 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.47 7.81 63 T 7.55 4.02 4.20 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 1.19 0.00 0.00 64 G 8.39 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 65 K 7.39 4.13 0.00 1.75 1.73 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.49 7.81 66 E 8.58 4.20 0.00 2.05 1.81 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 2.38 2.31 0.00 67 V 8.34 4.76 2.11 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 1.05 0.00 0.00 0.87 0.00 0.00 68 R 8.99 4.56 0.00 1.71 1.90 0.00 3.22 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 69 S 8.43 4.34 0.00 3.87 3.78 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 0.00 0.00 0.00