NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2892 8.1133 117.2721 56.3455 30.5042 176.4604 11 T 3.5712 8.3431 111.2487 65.2724 68.5135 174.4593 12 G 3.8030 7.4270 109.1151 47.4939 0.0000 175.2110 13 R 4.0823 7.6790 116.4224 58.4295 29.8292 177.8474 14 F 4.9944 8.4915 118.5573 58.3563 39.3908 176.6118 15 G 3.7634 8.0974 108.0430 46.5664 0.0000 172.5138 16 P 4.7102 0.0000 0.0000 62.6875 31.7220 176.0316 17 R 4.0812 7.3556 117.3477 56.6525 31.5151 175.4133 18 Y 4.1233 7.8936 117.5053 57.1353 36.6855 169.9971 19 G 3.9236 7.9402 103.8285 44.4234 0.0000 173.2422 20 L 4.0675 8.0021 117.8187 57.1316 41.4800 179.5840 21 K 3.8420 7.9979 117.3798 60.0565 32.0878 178.7923 22 I 3.6727 7.9097 119.2664 64.8276 37.0367 178.3647 23 R 4.8205 7.7652 116.0310 58.1659 29.5050 178.8725 24 V 3.6043 8.1023 119.6963 66.1081 31.4825 178.2325 25 R 3.9237 7.9938 117.4285 58.8659 29.8255 179.2529 26 V 3.5574 7.4749 116.8896 65.6317 31.5870 177.9565 27 A 3.9549 8.2125 120.5750 55.2829 18.1811 178.9953 28 D 4.3140 8.2654 117.6173 57.7451 40.9168 179.5931 29 V 3.5929 7.9043 118.3443 66.2334 31.5958 177.9865 30 E 4.1622 8.3674 118.1700 59.0322 29.0367 179.1669 31 I 3.7565 8.1920 118.7740 63.9225 38.4801 177.8362 32 K 4.1777 7.9085 119.5269 59.6849 31.7048 178.5651 33 H 5.2518 8.1856 118.8143 58.6784 29.8894 176.5156 34 K 4.4206 8.3774 116.6799 55.5830 32.5309 177.2819 35 K 4.1451 7.0621 118.9175 55.8254 32.6266 176.8353 36 K 4.0977 8.3355 120.8713 56.7861 32.7494 176.2577 37 H 5.0008 8.1487 121.0648 53.7398 31.7346 173.7285 38 K 4.6234 8.6414 122.5615 55.8405 32.2773 176.5181 39 C 4.2624 9.2067 127.0761 59.1565 31.6366 172.2279 40 P 4.3611 0.0000 0.0000 65.6542 30.7242 177.7896 41 V 3.4231 7.0324 117.5022 65.0581 32.0865 178.1867 42 C 4.5380 7.5749 117.7393 57.4360 32.0193 173.1328 43 G 4.0966 8.5309 106.5213 45.5845 0.0000 173.5091 44 F 3.9030 8.1643 119.7094 56.6876 40.0573 175.8258 45 K 5.0647 7.7717 123.0180 55.4181 30.3438 177.1165 46 K 4.7972 7.7899 114.2274 56.2169 32.6644 177.4678 47 L 5.3357 8.1651 119.8498 53.2561 44.1319 176.4751 48 K 5.0832 9.3127 123.1066 54.1607 36.4994 176.0006 49 R 3.3171 8.8039 123.7049 56.2470 30.3346 176.2462 50 A 4.2034 8.5174 128.8516 52.6744 20.0127 176.9540 51 G 3.6422 6.8161 101.1752 46.1107 0.0000 171.1354 52 T 3.7354 8.3645 117.7435 64.9106 67.9233 174.1200 53 G 4.4275 8.4852 114.0225 46.4736 0.0000 170.8919 54 I 4.8623 7.0728 120.8406 59.0338 39.1563 174.8422 55 W 5.4866 9.2042 125.8939 55.2301 33.4416 174.0007 56 M 4.8789 9.0971 121.6108 54.1717 36.2062 173.1139 57 C 5.2522 9.0145 124.5955 57.7421 32.8440 174.9932 58 G 3.8454 9.1828 116.6653 48.4145 0.0000 174.0676 59 H 4.3389 8.2738 119.7011 58.5769 30.1224 175.5141 60 C 4.3744 8.0928 111.6764 57.4114 30.4955 174.6676 61 G 3.9378 8.7988 109.2800 45.0589 0.0000 173.0958 62 Y 4.3481 7.9620 121.3981 58.4397 39.7280 174.6955 63 K 4.8526 8.5003 128.0275 54.6954 33.7994 175.0357 64 I 4.3448 9.5573 121.0538 58.9800 41.0312 174.0167 65 A 4.9903 8.4118 124.6696 50.8359 20.3410 176.6859 66 G 4.1656 8.1206 109.5959 45.5131 0.0000 171.9505 67 G 4.0843 8.2070 110.0854 45.4155 0.0000 174.1105 68 C 4.1744 8.5018 115.8363 61.8430 28.3798 174.3920 69 Y 5.0176 7.8940 113.2826 57.4178 39.6992 174.6777 70 Q 4.6501 8.0299 118.7834 53.2287 33.0013 174.2077 71 P 2.9700 0.0000 0.0000 64.1542 31.6182 176.1030 72 E 4.6763 7.5564 117.1414 54.0525 32.5487 175.6024 73 T 4.6380 7.9740 112.6873 59.7284 72.5913 175.5639 74 V 3.5753 8.3693 120.8304 66.2855 31.5811 177.7933 75 A 4.2634 8.0077 120.1513 54.8617 18.1403 179.5569 76 G 3.6104 8.1614 104.2928 47.9264 0.0000 176.0770 77 K 3.8871 7.9875 120.1187 59.1786 31.9789 179.3079 78 A 3.8302 7.7586 121.1259 54.6156 17.9539 179.9599 79 V 3.5281 7.1214 116.1988 66.4750 31.7412 176.8958 80 M 4.0933 7.2294 116.6466 58.4736 31.5171 177.7949 81 K 3.8189 7.6284 115.9172 57.4591 32.5741 176.7965 82 A 4.1698 7.3199 129.5988 52.9199 18.1136 177.6849 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 10 R 8.11 4.29 0.00 1.99 2.05 0.00 2.94 0.00 0.00 3.33 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 11 T 8.34 3.57 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 12 G 7.43 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.68 4.08 0.00 1.90 1.96 0.00 2.85 0.00 0.00 3.06 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.12 0.00 14 F 8.49 4.99 0.00 3.35 3.16 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 15 G 8.10 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 16 P 0.00 4.71 0.00 2.14 2.11 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 17 R 7.36 4.08 0.00 0.67 0.66 0.00 2.95 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.30 0.00 18 Y 7.89 4.12 0.00 3.00 2.98 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 19 G 7.94 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 0.00 0.00 0.00 20 L 8.00 4.07 0.00 1.71 1.66 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.00 3.84 0.00 1.80 1.89 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 22 I 7.91 3.67 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.13 0.81 0.00 0.00 23 R 7.77 4.82 0.00 2.42 2.55 0.00 3.22 0.00 0.00 3.51 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.59 0.00 24 V 8.10 3.60 2.19 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 1.12 0.00 0.00 0.99 0.00 0.00 25 R 7.99 3.92 0.00 2.08 1.92 0.00 3.16 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 26 V 7.47 3.56 2.42 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 1.11 0.00 0.00 1.14 0.00 0.00 27 A 8.21 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.27 4.31 0.00 2.95 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 29 V 7.90 3.59 1.97 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 0.62 0.00 0.00 0.81 0.00 0.00 30 E 8.37 4.16 0.00 2.15 2.05 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 2.37 2.52 0.00 31 I 8.19 3.76 1.98 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 1.54 0.77 1.01 0.00 0.00 32 K 7.91 4.18 0.00 2.15 1.94 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.48 7.81 33 H 8.19 5.25 0.00 3.51 3.64 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.38 4.42 0.00 1.79 1.86 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.64 7.81 35 K 7.06 4.15 0.00 1.93 1.66 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.68 7.81 36 K 8.34 4.10 0.00 1.69 1.87 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.43 7.81 37 H 8.15 5.00 0.00 3.36 3.04 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.64 4.62 0.00 1.63 1.77 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.41 7.81 39 C 9.21 4.26 0.00 3.07 2.95 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 40 P 0.00 4.36 0.00 2.30 2.18 0.00 4.03 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 41 V 7.03 3.42 1.74 0.00 0.00 0.00 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 -0.49 0.00 0.00 42 C 7.57 4.54 0.00 3.18 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 43 G 8.53 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 44 F 8.16 3.90 0.00 3.00 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 45 K 7.77 5.06 0.00 1.54 1.75 0.00 1.61 0.00 0.00 2.28 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.11 7.81 46 K 7.79 4.80 0.00 1.84 1.88 0.00 1.95 0.00 0.00 1.96 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.75 7.81 47 L 8.17 5.34 0.00 1.77 1.75 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.31 5.08 0.00 1.70 1.70 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81 49 R 8.80 3.32 0.00 1.03 1.40 0.00 2.95 0.00 0.00 2.91 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.50 0.00 50 A 8.52 4.20 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 6.82 3.64 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 0.00 0.00 0.00 52 T 8.36 3.74 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 1.08 0.00 0.00 53 G 8.49 4.43 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 0.00 0.00 0.00 54 I 7.07 4.86 1.65 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 1.15 1.03 0.81 0.00 0.00 55 W 9.20 5.49 0.00 3.18 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 56 M 9.10 4.88 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 57 C 9.01 5.25 0.00 3.20 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 58 G 9.18 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.27 4.34 0.00 3.11 3.38 0.00 5.90 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.09 4.37 0.00 3.07 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 G 8.80 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 62 Y 7.96 4.35 0.00 3.00 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 63 K 8.50 4.85 0.00 1.72 1.56 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.35 7.81 64 I 9.56 4.34 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.94 0.77 0.00 0.00 65 A 8.41 4.99 1.24 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 0.00 0.00 0.00 66 G 8.12 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 0.00 0.00 0.00 67 G 8.21 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.50 4.17 0.00 2.55 1.46 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 0.00 0.00 0.00 0.00 69 Y 7.89 5.02 0.00 3.13 2.88 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 0.00 0.00 0.00 70 Q 8.03 4.65 0.00 2.11 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 71 P 0.00 2.97 0.00 1.65 0.98 0.00 2.96 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.24 0.00 72 E 7.56 4.68 0.00 1.82 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 2.10 2.10 0.00 73 T 7.97 4.64 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 74 V 8.37 3.58 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 0.87 0.00 0.00 0.94 0.00 0.00 75 A 8.01 4.26 1.33 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 0.00 0.00 76 G 8.16 3.61 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 0.00 0.00 0.00 77 K 7.99 3.89 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.66 7.81 78 A 7.76 3.83 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 79 V 7.12 3.53 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 0.87 0.00 0.00 0.97 0.00 0.00 80 M 7.23 4.09 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 81 K 7.63 3.82 0.00 1.88 1.69 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.61 7.81 82 A 7.32 4.17 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