NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6165 8.2076 120.1914 54.4272 43.2475 177.6076 3 S 4.0307 7.9322 114.1467 61.0234 62.8708 174.5945 4 N 4.4766 8.8799 122.2663 55.8682 38.7962 178.4891 5 T 3.9342 7.7899 116.7555 66.8043 68.6077 176.5349 6 M 4.1550 7.9800 120.4063 58.4235 31.9250 178.9594 7 S 4.6940 8.2487 115.9541 61.2431 63.1151 176.6833 8 S 4.1696 8.5911 119.2356 61.2090 62.4487 176.5227 9 F 4.2363 8.3271 123.2580 61.2147 39.1295 177.2534 10 Q 3.9951 8.3005 117.7187 59.1502 28.5110 179.1267 11 V 3.7409 7.9318 119.1290 66.1024 31.5614 177.8015 12 D 4.3691 8.1754 118.7971 57.3531 40.5895 178.5524 13 C 4.0174 8.0488 117.4861 62.8234 28.1404 175.9796 14 F 4.3848 8.3190 122.2114 61.3414 38.9907 177.2222 15 L 3.8276 8.3716 118.9981 57.1105 41.2575 179.2343 16 W 3.8792 8.2622 128.6261 60.5476 30.6662 177.3141 17 H 4.1061 8.3935 118.2216 59.3928 29.1961 177.0817 18 I 3.4043 7.1544 121.2325 64.5077 36.8874 178.5374 19 R 3.9758 7.7023 118.6648 59.1227 29.7817 179.0825 20 K 3.5223 7.5794 119.5224 59.4197 31.8787 179.1162 21 R 3.8245 7.5355 117.0793 58.9921 30.1259 178.5967 22 F 4.1267 8.4088 120.3133 61.1763 39.3611 176.8372 23 A 3.9337 8.4816 120.7608 55.5714 18.0103 179.4268 24 D 4.2812 7.9632 115.5724 57.1160 40.8959 177.8829 25 N 4.5946 7.6078 114.5007 52.6293 38.6979 175.1795 26 G 3.7380 7.8428 108.7055 46.7172 0.0000 174.8273 27 L 3.9607 7.3274 119.1643 54.2811 42.4150 177.3653 28 G 3.8049 7.2675 107.4100 44.4944 0.0000 172.8187 29 D 4.7744 8.2450 119.7657 51.2757 42.2180 177.0186 30 A 4.0206 8.6834 119.7572 55.2707 18.0969 177.9124 31 P 4.2533 0.0000 0.0000 65.6225 31.4223 178.5472 32 F 4.0087 8.6093 119.5589 61.3775 39.3275 177.2635 33 L 4.1281 8.1594 118.4105 57.7438 41.3555 179.2400 34 D 4.3827 8.2593 118.9805 57.4391 40.6960 178.9885 35 R 3.8725 8.0924 118.6575 59.0384 30.1520 178.8309 36 L 3.9068 7.7533 120.0938 58.0722 41.8871 179.0519 37 R 4.0042 8.1234 118.5074 59.6790 30.0312 178.7450 38 R 3.9657 8.1778 117.9056 59.4309 30.0791 178.8732 39 D 4.3619 8.5758 119.0779 57.1953 40.7780 178.6013 40 Q 3.2489 8.1427 119.8737 58.7927 29.0183 178.4680 41 K 3.9130 7.7102 119.4115 59.5679 32.0570 179.4207 42 S 4.1109 8.2264 115.5125 61.7533 62.7060 176.8811 43 L 4.1345 8.3793 121.8576 57.7598 41.3574 179.7566 44 K 4.0837 8.2337 118.6837 59.2516 31.8568 179.7104 45 G 3.5444 8.0880 106.0587 47.8417 0.0000 176.0450 46 R 3.9313 8.3056 121.1658 58.8630 30.0453 179.3903 47 G 3.2580 8.3796 105.8472 47.4967 0.0000 175.3472 48 N 4.2219 8.0198 119.0479 56.8593 38.8572 177.0042 49 T 3.8119 7.6823 115.8339 66.7428 68.6899 176.0641 50 L 4.1684 7.8544 118.5508 54.6185 41.8471 177.4198 51 G 3.8167 7.4407 106.6733 46.3956 0.0000 173.1262 52 L 4.6520 7.6114 119.4633 52.0877 43.8141 176.8423 53 D 4.5092 8.5870 123.0484 54.0862 42.6481 176.9397 54 I 3.7735 8.4444 127.8141 64.5444 37.1693 178.1265 55 E 3.9549 8.1681 119.6666 59.5009 29.5951 178.8775 56 T 3.8803 8.2608 115.5566 66.6432 68.5201 176.5523 57 A 4.0740 8.0630 122.6769 55.4692 18.3134 179.7231 58 T 3.9038 8.2399 114.5428 66.9556 68.4035 176.8710 59 L 3.9398 7.7508 120.9506 57.5834 41.6515 179.8124 60 V 3.6895 7.8715 118.3508 65.8526 31.4202 178.2507 61 G 3.6850 8.4367 105.9737 47.5916 0.0000 175.3209 62 K 2.0000 7.8913 122.2522 58.6754 32.1881 178.5248 63 Q 3.8812 7.4800 119.5506 59.2179 28.9232 178.3830 64 I 3.8054 7.6147 120.5478 64.5462 37.1903 178.6925 65 V 3.7094 8.0374 119.3358 66.0163 31.3417 177.8177 66 E 3.8913 8.5744 118.8262 59.2411 29.2110 179.4251 67 W 4.0032 8.0895 118.5062 59.4484 28.8463 178.7510 68 I 3.8234 7.4696 118.9963 64.3141 36.6983 178.1813 69 L 4.1436 8.1204 119.8842 57.7387 41.2879 179.4604 70 K 3.8237 7.8822 118.3604 59.3701 32.0898 177.9141 71 E 4.1327 8.1138 118.9850 58.7122 29.5102 176.2071 72 E 4.2087 7.8098 123.4152 56.1375 29.7097 175.2417 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 D 8.21 4.62 0.00 2.77 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 3 S 7.93 4.03 0.00 4.18 4.11 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 4 N 8.88 4.48 0.00 2.77 2.93 0.00 0.00 7.63 7.05 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 5 T 7.79 3.93 4.42 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 0.00 0.00 0.00 1.21 0.00 0.00 6 M 7.98 4.16 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.93 0.00 7 S 8.25 4.69 0.00 4.08 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 0.00 8 S 8.59 4.17 0.00 3.97 4.02 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 0.00 0.00 0.00 0.00 9 F 8.33 4.24 0.00 3.23 3.26 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 10 Q 8.30 4.00 0.00 2.35 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 11 V 7.93 3.74 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 1.20 0.00 0.00 1.03 0.00 0.00 12 D 8.18 4.37 0.00 2.89 2.69 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 0.00 13 C 8.05 4.02 0.00 2.93 2.86 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 14 F 8.32 4.38 0.00 3.34 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 15 L 8.37 3.83 0.00 1.72 1.65 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 W 8.26 3.88 0.00 3.49 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 17 H 8.39 4.11 0.00 3.50 3.47 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.15 3.40 1.74 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 -0.34 0.77 0.00 0.00 19 R 7.70 3.98 0.00 1.64 1.74 0.00 3.00 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 20 K 7.58 3.52 0.00 0.79 1.48 0.00 1.27 0.00 0.00 1.21 0.00 0.00 3.18 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.37 7.81 21 R 7.54 3.82 0.00 1.90 1.91 0.00 3.36 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 22 F 8.41 4.13 0.00 3.00 3.06 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 0.00 0.00 0.00 0.00 23 A 8.48 3.93 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.96 4.28 0.00 2.74 2.71 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 0.00 0.00 0.00 0.00 25 N 7.61 4.59 0.00 2.60 2.66 0.00 0.00 7.00 9.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.84 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.33 3.96 0.00 0.27 0.63 0.52 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.27 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 29 D 8.25 4.77 0.00 2.86 2.86 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 30 A 8.68 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.23 2.15 0.00 4.06 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 32 F 8.61 4.01 0.00 3.34 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 33 L 8.16 4.13 0.00 1.99 1.76 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.26 4.38 0.00 2.91 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 35 R 8.09 3.87 0.00 1.74 1.84 0.00 3.06 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 36 L 7.75 3.91 0.00 1.56 1.80 0.02 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.12 4.00 0.00 2.00 2.10 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 38 R 8.18 3.97 0.00 1.91 1.97 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 39 D 8.58 4.36 0.00 2.95 2.86 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 40 Q 8.14 3.25 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.02 1.40 0.00 41 K 7.71 3.91 0.00 2.01 1.83 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.62 7.81 42 S 8.23 4.11 0.00 4.01 3.93 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 43 L 8.38 4.13 0.00 1.57 1.60 0.69 0.83 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 44 K 8.23 4.08 0.00 1.91 1.82 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.42 7.81 45 G 8.09 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.31 3.93 0.00 2.18 1.92 0.00 3.20 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 47 G 8.38 3.26 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 0.00 0.00 0.00 48 N 8.02 4.22 0.00 2.86 2.94 0.00 0.00 7.17 7.15 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 49 T 7.68 3.81 4.27 0.00 0.00 0.00 0.00 0.00 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 50 L 7.85 4.17 0.00 1.24 1.49 0.54 0.99 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 51 G 7.44 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.61 4.65 0.00 1.33 1.68 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.59 4.51 0.00 2.81 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 54 I 8.44 3.77 1.88 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 1.59 0.76 0.82 0.00 0.00 55 E 8.17 3.95 0.00 2.06 2.10 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 2.40 2.43 0.00 56 T 8.26 3.88 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 1.24 0.00 0.00 57 A 8.06 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.24 3.90 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 59 L 7.75 3.94 0.00 1.80 1.69 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.87 3.69 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.01 0.00 0.00 61 G 8.44 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 0.00 0.00 0.00 0.00 62 K 7.89 2.00 0.00 1.18 1.61 0.00 1.57 0.00 0.00 1.43 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.16 0.64 7.81 63 Q 7.48 3.88 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 64 I 7.61 3.81 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.97 0.00 0.00 65 V 8.04 3.71 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 1.25 0.00 0.00 1.19 0.00 0.00 66 E 8.57 3.89 0.00 2.04 1.69 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 2.21 2.28 0.00 67 W 8.09 4.00 0.00 3.57 3.26 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 68 I 7.47 3.82 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.67 0.96 0.00 0.00 69 L 8.12 4.14 0.00 1.80 1.70 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.88 3.82 0.00 1.49 1.73 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.24 7.81 71 E 8.11 4.13 0.00 2.39 2.22 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 2.42 2.57 0.00 72 E 7.81 4.21 0.00 1.93 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 2.28 2.29 0.00