NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4565 8.1633 120.6098 55.5711 34.3151 173.3805 2 Q 4.9728 8.2261 118.4748 53.7452 32.1845 173.6418 3 Y 5.2237 9.4175 120.1131 56.1843 42.4568 174.1152 4 K 5.0586 9.4121 123.1620 54.6451 35.2079 174.3065 5 L 5.0351 9.2373 130.5430 53.4070 44.4891 174.8021 6 I 4.5757 8.5320 127.2545 59.9379 39.4955 174.7497 7 L 4.3595 8.6359 127.5123 53.9392 43.0972 175.5907 8 N 5.1709 8.6311 122.0523 50.8434 38.1663 173.8570 9 G 4.4963 8.4023 118.1495 44.9142 0.0000 170.1776 10 K 4.0980 8.9671 119.1007 59.5962 32.0648 178.1978 11 T 4.5130 7.5753 109.6449 62.5823 70.7766 173.8628 12 L 4.3504 7.7612 123.1152 53.8124 41.8207 176.0170 13 K 5.5398 7.7766 122.3780 53.6906 36.7571 176.9250 14 G 4.0494 7.5456 110.2282 46.3626 0.0000 170.6661 15 E 5.3247 8.6174 120.9754 54.9146 33.4083 175.5292 16 T 4.8471 8.8680 110.1875 61.0221 72.4396 172.9253 17 T 5.3274 8.4685 118.3749 63.1888 73.2257 172.6911 18 T 4.6227 9.0834 116.1666 61.1186 71.4701 171.8229 19 E 5.2096 8.7419 127.4470 54.7821 30.7407 174.6382 20 A 4.8323 9.0188 127.9418 50.8853 22.3634 176.4327 21 V 3.8194 8.6288 118.8745 63.7602 31.8595 176.7268 22 D 5.1151 7.7934 117.8229 51.7889 45.0020 176.5972 23 A 3.2380 8.4181 125.3754 55.0272 18.4053 179.9745 24 A 4.0304 7.4427 117.9415 55.0345 18.1815 179.5235 25 T 3.7692 7.8498 110.7561 64.9745 67.4321 176.2068 26 A 3.6685 7.1744 122.4837 54.6470 17.7782 179.3995 27 E 3.5261 7.5887 116.0735 59.1196 29.5535 179.4375 28 K 3.7144 7.2259 118.6057 59.2272 32.0745 179.3951 29 V 3.3499 7.1672 117.6863 65.9643 31.5067 177.9495 30 F 4.4394 7.0962 116.9857 60.5805 38.8939 177.9492 31 K 3.4908 8.7943 119.0485 59.3948 31.3879 179.3498 32 Q 4.0393 7.9278 119.7552 59.1884 28.9032 177.5542 33 Y 4.4062 8.8114 122.3414 59.9690 38.8198 177.5641 34 A 4.0286 8.5412 122.1584 55.1107 18.2659 179.1184 35 N 4.2342 7.5941 113.6836 57.0740 38.9170 176.7551 36 D 4.3979 7.7489 118.6190 56.7254 40.5804 177.9346 37 N 4.3591 7.5160 116.0233 53.5566 39.0054 174.9092 38 G 4.0694 8.5563 108.6480 45.7036 0.0000 174.1783 39 V 4.0481 7.4518 119.2464 60.8330 31.2003 175.1351 40 D 4.9520 8.8199 124.7966 52.3429 43.2538 174.1670 41 G 3.8586 7.9741 119.0169 44.6222 0.0000 170.3015 42 E 4.2864 9.2696 121.6581 56.2726 30.5046 176.8523 43 W 5.1228 8.7767 123.4588 55.2740 31.4508 174.9502 44 T 4.7955 8.5466 114.1495 61.8141 70.6946 171.6650 45 Y 4.7461 8.3123 125.9204 56.3469 42.5016 172.7197 46 D 4.4129 8.3313 127.7065 52.7120 42.0567 176.3073 47 D 4.2467 8.3277 124.5336 54.4850 41.7686 176.8501 48 A 4.1562 7.7381 120.8365 54.7682 18.7461 178.0025 49 T 4.4547 8.9484 104.1287 60.1215 70.1236 174.2009 50 K 4.1608 7.7480 120.1733 58.5614 29.7936 174.4838 51 T 5.2548 7.9212 114.0987 61.9883 72.3500 175.2151 52 F 5.5443 9.9045 125.7545 56.4204 42.5045 174.9912 53 T 5.0195 8.6048 110.1291 60.5733 72.0360 172.7089 54 V 3.7164 7.8891 124.5817 59.6300 33.7372 174.3682 55 T 5.2463 8.9082 120.3407 58.8956 70.1050 173.3948 56 E 4.3227 8.6885 125.8598 56.3955 29.5190 175.8388 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 4.46 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.85 0.00 2 Q 8.23 4.97 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.61 0.00 3 Y 9.42 5.22 0.00 3.39 3.58 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 4 K 9.41 5.06 0.00 1.85 1.70 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.46 7.81 5 L 9.24 5.04 0.00 0.27 0.61 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.53 4.58 1.84 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 1.39 1.01 0.98 0.00 0.00 7 L 8.64 4.36 0.00 1.93 1.81 1.06 0.33 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 8 N 8.63 5.17 0.00 2.59 2.85 0.00 0.00 5.99 6.73 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 9 G 8.40 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.97 4.10 0.00 1.74 1.87 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.53 7.81 11 T 7.58 4.51 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 12 L 7.76 4.35 0.00 1.70 1.62 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.78 5.54 0.00 1.66 1.66 0.00 1.90 0.00 0.00 2.36 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.54 7.81 14 G 7.55 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 15 E 8.62 5.32 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 16 T 8.87 4.85 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 1.09 0.00 0.00 17 T 8.47 5.33 4.34 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 1.36 0.00 0.00 18 T 9.08 4.62 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 1.19 0.00 0.00 19 E 8.74 5.21 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 20 A 9.02 4.83 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 21 V 8.63 3.82 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 0.70 0.00 0.00 0.98 0.00 0.00 22 D 7.79 5.12 0.00 2.80 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.42 3.24 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 24 A 7.44 4.03 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 25 T 7.85 3.77 4.16 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 1.18 0.00 0.00 26 A 7.17 3.67 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.59 3.53 0.00 1.84 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 0.00 2.19 2.03 0.00 28 K 7.23 3.71 0.00 1.84 1.77 0.00 1.55 0.00 0.00 1.47 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.50 7.81 29 V 7.17 3.35 1.42 0.00 0.00 0.00 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 0.70 0.00 0.00 30 F 7.10 4.44 0.00 2.85 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 31 K 8.79 3.49 0.00 1.39 1.45 0.00 1.29 0.00 0.00 0.99 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.52 7.81 32 Q 7.93 4.04 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 33 Y 8.81 4.41 0.00 3.12 3.19 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 0.00 0.00 0.00 0.00 34 A 8.54 4.03 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 0.00 0.00 0.00 0.00 0.00 35 N 7.59 4.23 0.00 2.82 2.90 0.00 0.00 7.26 8.35 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 36 D 7.75 4.40 0.00 2.65 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 37 N 7.52 4.36 0.00 2.22 2.67 0.00 0.00 7.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.56 4.07 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 0.00 0.00 0.00 39 V 7.45 4.05 2.06 0.00 0.00 0.00 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 0.91 0.00 0.00 40 D 8.82 4.95 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 41 G 7.97 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 42 E 9.27 4.29 0.00 1.83 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 2.51 2.44 0.00 43 W 8.78 5.12 0.00 3.24 3.33 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 44 T 8.55 4.80 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 1.33 0.00 0.00 45 Y 8.31 4.75 0.00 2.71 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.33 4.41 0.00 2.53 2.26 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 0.00 47 D 8.33 4.25 0.00 2.58 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 48 A 7.74 4.16 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 49 T 8.95 4.45 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 1.17 0.00 0.00 50 K 7.75 4.16 0.00 1.96 1.83 0.00 1.73 0.00 0.00 2.14 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.26 7.81 51 T 7.92 5.25 4.19 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 0.00 0.00 0.00 1.29 0.00 0.00 52 F 9.90 5.54 0.00 2.88 3.19 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 0.00 0.00 0.00 0.00 53 T 8.60 5.02 4.19 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 0.00 0.00 0.00 1.22 0.00 0.00 54 V 7.89 3.72 0.67 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 0.30 0.00 0.00 -0.07 0.00 0.00 55 T 8.91 5.25 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 1.19 0.00 0.00 56 E 8.69 4.32 0.00 1.96 1.95 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 2.10 2.23 0.00