NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 3.9779 8.1749 110.9132 62.4482 69.9550 170.2965 2 T 3.0928 8.0978 122.9499 62.9763 64.6758 169.2590 3 Y 5.4717 8.4078 124.2840 55.8111 42.5300 174.5169 4 K 5.3491 8.9121 122.0161 55.3073 35.9364 174.5340 5 L 4.6709 8.3375 124.6153 53.1499 44.7346 175.1317 6 V 4.4725 8.4755 125.6621 61.3707 33.9052 174.5906 7 I 4.2883 8.4598 130.7158 59.6148 37.9931 176.0329 8 N 4.9894 8.7610 130.8875 51.7182 36.7481 174.6170 9 G 4.1961 8.0857 110.3382 42.9403 0.0000 171.6876 10 K 3.9170 8.5990 118.9550 58.4886 32.2627 177.0985 11 T 3.4258 8.5625 112.8511 61.7545 68.0120 172.5570 12 L 4.1425 7.4283 120.2875 55.7291 43.7738 172.5207 13 K 5.2773 8.5216 125.2386 52.8455 34.9089 176.5594 14 G 4.0978 7.8006 108.7981 47.0721 0.0000 170.3976 15 E 5.7268 8.1404 115.6915 56.1013 32.4922 174.3484 16 T 4.8786 8.0872 116.5672 62.7387 73.6161 172.3238 17 T 5.5801 8.4541 111.8482 60.8440 72.2932 173.3634 18 T 4.6461 8.9319 118.0155 62.1835 73.5442 172.5624 19 E 4.6211 8.7332 126.5223 55.6352 30.3176 175.1485 20 A 4.4123 8.1347 127.1147 52.1970 22.7336 176.0211 21 V 3.3904 8.7849 121.6878 64.8565 30.3510 177.5267 22 D 4.8054 8.9903 116.4823 52.3771 41.5736 178.0677 23 A 3.7035 8.6973 121.2057 55.1793 18.3659 179.8070 24 A 3.9526 8.0133 118.6242 54.7999 18.1228 178.3463 25 T 4.4257 7.6913 112.9759 63.7909 69.5761 175.6046 26 A 4.3988 7.9022 122.7836 53.7586 20.6894 178.5294 27 E 3.2461 8.0385 117.0630 59.6758 29.3274 179.1957 28 K 3.9655 7.5337 116.3640 59.8827 32.3295 178.8368 29 V 3.6217 7.4830 118.5721 65.0101 31.4381 177.4863 30 F 4.4890 8.1198 117.1264 61.1664 38.9454 177.8990 31 K 4.0373 8.4148 117.9742 59.9314 31.6820 179.0633 32 Q 4.0067 8.2605 119.5538 59.2259 28.9985 177.1498 33 Y 4.0475 8.2834 119.9685 60.9911 38.6425 177.8726 34 A 4.2641 9.0115 121.8450 55.2778 18.3197 178.7760 35 N 4.5956 7.7950 112.4690 54.8144 39.1430 176.9026 36 D 4.4861 8.1736 119.7829 56.0292 41.0260 177.0315 37 N 4.8148 7.8697 114.4985 52.0448 39.7545 175.0881 38 G 3.8098 8.0793 107.8268 46.1728 0.0000 173.3564 39 V 4.8158 7.7494 118.1510 60.7116 32.5400 175.1995 40 D 4.6279 8.3405 124.6379 53.7451 44.0188 173.3988 41 G 4.2889 8.2492 117.1826 45.6490 0.0000 171.3534 42 E 4.8863 8.1077 120.2446 54.7966 32.0725 175.5323 43 W 6.1896 9.1160 121.1245 54.7767 32.7994 174.7893 44 T 4.7536 8.6354 110.0737 61.0022 71.5322 172.2474 45 Y 5.3317 9.5452 123.4142 57.4223 40.3114 175.0782 46 D 5.0710 7.7275 120.3704 53.6968 41.3994 176.9837 47 D 3.6753 7.8699 123.3333 56.7931 41.9271 178.3598 48 A 4.0826 7.3974 120.9572 54.7690 18.2775 178.1703 49 T 4.3534 8.5673 103.3632 60.4004 70.0240 174.1072 50 K 3.5227 7.1659 120.1132 58.3758 30.4550 174.2721 51 T 4.9604 6.8807 112.3767 61.7972 72.9140 173.8870 52 F 6.0980 8.7567 120.4150 55.3468 43.6265 174.6443 53 T 4.8597 8.4543 115.5629 62.1171 72.5897 172.9379 54 V 3.9351 8.7384 127.5853 61.4431 33.4246 174.6797 55 T 4.8342 8.0372 124.2864 61.2043 70.9153 174.0818 56 E 4.5795 8.4082 125.1869 55.9398 29.6011 177.1833 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 T 8.17 3.98 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 1.20 0.00 0.00 2 T 8.10 3.09 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 1.21 0.00 0.00 3 Y 8.41 5.47 0.00 3.25 3.36 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 4 K 8.91 5.35 0.00 2.00 2.00 0.00 1.27 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.34 7.81 5 L 8.34 4.67 0.00 0.27 0.13 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.48 4.47 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 0.65 0.00 0.00 0.94 0.00 0.00 7 I 8.46 4.29 1.81 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.76 0.83 0.00 0.00 8 N 8.76 4.99 0.00 2.65 2.69 0.00 0.00 6.51 7.58 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 9 G 8.09 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 0.00 0.00 0.00 0.00 10 K 8.60 3.92 0.00 1.74 1.78 0.00 1.98 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.56 7.81 11 T 8.56 3.43 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 1.20 0.00 0.00 12 L 7.43 4.14 0.00 1.67 1.54 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.52 5.28 0.00 1.63 1.65 0.00 1.97 0.00 0.00 2.61 0.00 0.00 2.72 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.22 7.81 14 G 7.80 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 15 E 8.14 5.73 0.00 1.91 1.80 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 2.15 2.15 0.00 16 T 8.09 4.88 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 1.29 0.00 0.00 17 T 8.45 5.58 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 1.27 0.00 0.00 18 T 8.93 4.65 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 19 E 8.73 4.62 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 20 A 8.13 4.41 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 21 V 8.78 3.39 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 0.87 0.00 0.00 0.94 0.00 0.00 22 D 8.99 4.81 0.00 2.99 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 23 A 8.70 3.70 0.95 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 0.00 0.00 0.00 0.00 0.00 24 A 8.01 3.95 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 25 T 7.69 4.43 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 1.19 0.00 0.00 26 A 7.90 4.40 1.50 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 27 E 8.04 3.25 0.00 2.09 2.00 0.00 0.00 0.00 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 2.10 0.00 28 K 7.53 3.97 0.00 1.72 1.80 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.36 7.81 29 V 7.48 3.62 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 0.85 0.00 0.00 0.91 0.00 0.00 30 F 8.12 4.49 0.00 2.91 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 31 K 8.41 4.04 0.00 1.55 1.70 0.00 0.61 0.00 0.00 0.92 0.00 0.00 2.52 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.99 0.21 7.81 32 Q 8.26 4.01 0.00 2.25 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 33 Y 8.28 4.05 0.00 3.21 3.35 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 0.00 34 A 9.01 4.26 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 0.00 0.00 0.00 0.00 0.00 35 N 7.79 4.60 0.00 2.75 2.92 0.00 0.00 7.09 7.85 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 36 D 8.17 4.49 0.00 2.75 2.57 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 37 N 7.87 4.81 0.00 2.68 2.81 0.00 0.00 7.07 8.76 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 38 G 8.08 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 39 V 7.75 4.82 2.23 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 0.82 0.00 0.00 0.96 0.00 0.00 40 D 8.34 4.63 0.00 2.71 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 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 0.00 0.00 0.00 0.00 42 E 8.11 4.89 0.00 1.93 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 2.29 2.28 0.00 43 W 9.12 6.19 0.00 3.04 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 44 T 8.64 4.75 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 1.27 0.00 0.00 45 Y 9.55 5.33 0.00 2.55 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 D 7.73 5.07 0.00 2.67 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 47 D 7.87 3.68 0.00 2.92 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 48 A 7.40 4.08 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 49 T 8.57 4.35 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 1.17 0.00 0.00 50 K 7.17 3.52 0.00 2.12 2.34 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.66 1.60 7.81 51 T 6.88 4.96 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 1.27 0.00 0.00 52 F 8.76 6.10 0.00 2.97 3.13 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 53 T 8.45 4.86 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 1.15 0.00 0.00 54 V 8.74 3.94 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 -0.63 0.00 0.00 0.47 0.00 0.00 55 T 8.04 4.83 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 1.16 0.00 0.00 56 E 8.41 4.58 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.03 0.00