NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2419 8.1233 123.5796 53.1820 19.7372 176.5312 6 D 4.4328 7.9399 113.6931 53.2321 39.1834 173.5110 7 T 4.1333 7.8898 110.4611 60.5578 70.5920 172.3728 8 P 4.3733 0.0000 0.0000 62.9632 32.0320 175.6174 9 T 4.4536 8.1149 114.9173 59.8510 69.4193 173.6201 10 A 4.2121 8.4888 131.6236 52.1127 18.9605 177.3885 11 C 4.8924 8.5636 119.9890 55.1721 43.6351 174.2029 12 C 4.6838 8.3127 120.1227 55.6109 40.8068 173.7223 13 F 4.2885 8.5495 123.0757 57.4569 40.0924 175.6704 14 S 4.4732 7.5145 112.9811 56.5939 65.9934 172.4646 15 Y 5.1171 7.9438 117.4749 55.9662 41.1559 175.7115 16 T 4.1244 8.5887 117.6753 62.4623 67.9228 174.6131 17 S 4.5319 8.7101 122.2838 59.6149 64.0640 174.3485 18 R 4.1739 7.7945 120.4360 54.4454 30.6217 175.7180 19 Q 2.5200 8.0476 124.7144 55.1103 29.1685 175.7023 20 I 3.6902 7.1542 126.9102 60.2689 37.9470 174.1968 21 P 3.8870 0.0000 0.0000 62.8797 31.7700 177.1646 22 Q 3.4544 8.4225 123.7847 58.8997 29.0944 177.2030 23 N 4.5767 7.7243 111.6883 53.8282 37.5255 175.3827 24 F 4.7452 8.0384 118.6926 59.1158 39.6161 175.5146 25 I 4.4607 7.7161 122.1090 60.7708 37.6880 175.2273 26 A 4.6731 9.1398 126.8515 53.4825 20.7748 176.1690 27 A 4.7202 7.8115 115.0199 51.5616 23.0410 174.4909 28 Y 5.1459 7.3281 115.5196 56.0473 41.3548 174.6123 29 F 4.6111 8.7857 118.0870 55.9718 43.8463 173.7542 30 E 4.7585 8.9157 122.9343 56.2054 30.1604 176.8270 31 T 4.2502 8.5469 114.8171 60.9181 70.2901 174.5651 32 S 4.1886 8.6230 117.4299 58.3913 62.8855 175.5070 33 S 4.2577 8.6118 121.0097 61.0101 62.8358 175.5567 34 Q 4.1208 8.0725 119.8065 58.3812 28.7286 176.1596 35 C 4.4944 7.7124 115.1233 56.5210 40.7751 174.0316 36 S 4.1732 8.6037 116.9446 60.4256 62.8918 174.7905 37 K 4.6581 7.3246 118.1821 53.2825 34.6573 174.1730 38 P 4.4681 0.0000 0.0000 63.0858 32.1074 175.7989 39 G 4.3400 8.0038 104.6705 45.5016 0.0000 172.2529 40 V 4.8619 8.5882 120.6852 60.7664 35.2195 174.2295 41 I 4.9366 8.9593 128.2185 59.6846 39.6827 174.4527 42 F 5.3544 9.2024 126.5498 56.1226 41.3291 174.5697 43 L 5.2967 8.8232 125.6663 53.7076 43.8638 176.3025 44 T 4.8105 8.9855 117.4202 60.8371 70.2707 175.9347 45 K 3.9415 9.0845 121.8367 59.7180 32.0452 178.5888 46 R 4.2613 7.9192 114.8790 56.2045 29.8323 176.3889 47 S 3.9695 8.2282 113.0152 59.4669 60.6527 170.0452 48 R 4.4222 8.1288 121.2780 55.7992 31.2646 174.8864 49 Q 5.1105 8.7219 125.1707 54.6206 30.5626 175.1380 50 V 4.5506 9.0038 123.7888 61.0762 34.8967 173.9961 51 C 5.0827 9.0914 125.5388 57.2580 42.6065 172.5627 52 A 5.1874 9.3010 124.1487 50.2675 23.1944 174.5368 53 D 3.7429 7.9051 119.2105 52.1876 41.7374 175.8513 54 P 4.1525 0.0000 0.0000 64.7302 31.5581 177.8214 55 S 4.1387 8.5959 114.3973 60.6346 63.1799 174.5286 56 E 4.1721 7.7685 121.1727 55.5455 30.1007 177.7116 57 E 3.9523 8.7984 123.1851 59.0879 29.5193 179.4925 58 W 4.3251 8.1561 116.4423 59.5859 27.9852 178.7866 59 V 2.9395 6.4749 112.5871 64.0553 30.9059 178.4814 60 Q 3.8539 7.6934 117.2800 58.5993 28.5376 178.4389 61 K 3.8771 8.5898 120.9512 60.0839 32.1751 178.3933 62 Y 4.1588 8.4200 116.8478 61.0131 37.7396 178.8493 63 V 3.1803 7.8443 119.2064 65.8485 31.6173 177.9622 64 S 4.0598 7.9532 112.8985 61.5598 62.3039 175.9408 65 D 4.3515 8.2853 121.5084 57.1870 40.3237 178.5583 66 L 4.0083 7.9906 118.7133 58.1029 41.6385 179.1950 67 E 4.1893 8.3265 118.2331 59.4976 29.2403 179.3357 68 L 4.1730 7.9830 117.4654 56.4743 41.8616 178.4156 69 S 4.5502 7.6880 112.0100 58.1989 63.6144 173.9607 70 A 4.1609 7.5466 130.4642 52.7336 18.0960 177.2258 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 5 A 8.12 4.24 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 6 D 7.94 4.43 0.00 2.87 2.73 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 0.00 0.00 0.00 0.00 7 T 7.89 4.13 4.21 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 0.00 0.00 0.00 1.18 0.00 0.00 8 P 0.00 4.37 0.00 2.05 2.03 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 9 T 8.11 4.45 4.22 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 0.00 0.00 1.21 0.00 0.00 10 A 8.49 4.21 1.22 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 0.00 0.00 0.00 0.00 0.00 11 C 8.56 4.89 0.00 2.79 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 0.00 0.00 0.00 0.00 12 C 8.31 4.68 0.00 2.88 2.81 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 13 F 8.55 4.29 0.00 2.99 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 14 S 7.51 4.47 0.00 3.88 3.75 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 15 Y 7.94 5.12 0.00 3.01 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 16 T 8.59 4.12 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 1.65 0.00 0.00 17 S 8.71 4.53 0.00 4.07 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 18 R 7.79 4.17 0.00 1.78 1.83 0.00 3.22 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 19 Q 8.05 2.52 0.00 0.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.92 0.00 0.00 0.00 0.00 0.00 1.58 1.16 0.00 20 I 7.15 3.69 1.88 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 1.47 1.07 1.05 0.00 0.00 21 P 0.00 3.89 0.00 0.49 1.29 0.00 3.37 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.76 0.00 22 Q 8.42 3.45 0.00 1.47 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.03 0.00 0.00 0.00 0.00 0.00 1.95 1.16 0.00 23 N 7.72 4.58 0.00 2.91 2.87 0.00 0.00 6.02 7.43 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 24 F 8.04 4.75 0.00 3.17 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.72 4.46 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.63 1.22 0.00 0.00 26 A 9.14 4.67 1.35 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 0.00 0.00 27 A 7.81 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 7.33 5.15 0.00 2.51 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 29 F 8.79 4.61 0.00 2.90 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 30 E 8.92 4.76 0.00 1.91 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 2.52 2.35 0.00 31 T 8.55 4.25 4.30 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 1.26 0.00 0.00 32 S 8.62 4.19 0.00 3.86 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 33 S 8.61 4.26 0.00 4.01 3.99 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 34 Q 8.07 4.12 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 35 C 7.71 4.49 0.00 3.06 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 36 S 8.60 4.17 0.00 4.05 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 37 K 7.32 4.66 0.00 1.75 1.78 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.34 7.81 38 P 0.00 4.47 0.00 2.00 1.96 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 39 G 8.00 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 0.00 0.00 0.00 0.00 40 V 8.59 4.86 1.73 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 0.21 0.00 0.00 0.73 0.00 0.00 41 I 8.96 4.94 2.01 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 1.28 0.84 1.06 0.00 0.00 42 F 9.20 5.35 0.00 3.21 3.12 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 0.00 0.00 0.00 0.00 43 L 8.82 5.30 0.00 2.05 1.72 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.99 4.81 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 1.42 0.00 0.00 45 K 9.08 3.94 0.00 1.73 1.93 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.57 7.81 46 R 7.92 4.26 0.00 1.78 1.94 0.00 3.44 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 47 S 8.23 3.97 0.00 4.05 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 48 R 8.13 4.42 0.00 1.95 1.87 0.00 3.12 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 49 Q 8.72 5.11 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.49 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 50 V 9.00 4.55 2.39 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 1.26 0.00 0.00 1.11 0.00 0.00 51 C 9.09 5.08 0.00 3.06 3.23 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 0.00 0.00 0.00 0.00 52 A 9.30 5.19 1.19 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 0.00 0.00 53 D 7.91 3.74 0.00 1.58 2.04 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.15 0.00 1.93 1.93 0.00 3.47 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 55 S 8.60 4.14 0.00 3.73 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.77 4.17 0.00 1.59 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 0.00 2.19 2.41 0.00 57 E 8.80 3.95 0.00 1.99 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 2.38 2.30 0.00 58 W 8.16 4.33 0.00 3.24 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 59 V 6.47 2.94 1.64 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 -0.67 0.00 0.00 0.61 0.00 0.00 60 Q 7.69 3.85 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.25 0.00 61 K 8.59 3.88 0.00 2.05 2.21 0.00 1.87 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.51 1.74 7.81 62 Y 8.42 4.16 0.00 3.16 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 63 V 7.84 3.18 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 0.06 0.00 0.00 0.58 0.00 0.00 64 S 7.95 4.06 0.00 3.92 3.98 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 65 D 8.29 4.35 0.00 2.84 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 4.01 0.00 1.92 1.91 1.26 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.33 4.19 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 68 L 7.98 4.17 0.00 1.67 1.73 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.69 4.55 0.00 4.05 3.96 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 70 A 7.55 4.16 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