NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3370 8.1927 115.3953 57.8626 64.6513 173.5930 2 I 3.2132 8.0807 118.6522 63.9045 37.1378 176.3979 3 S 4.0970 8.7847 116.9499 61.8021 63.1748 175.9328 4 S 4.1563 7.9544 116.9392 61.8928 62.5020 176.7539 5 R 3.8943 8.5755 121.3074 59.3668 29.9031 179.3042 6 V 3.6794 8.3872 117.9881 65.9970 31.5866 177.8040 7 K 4.7703 8.2950 121.0375 59.5981 31.8804 178.2254 8 S 4.1612 8.2558 115.2357 61.7898 62.9153 176.7276 9 K 3.8863 8.3242 121.4042 58.9621 31.7988 179.6729 10 R 3.8960 7.7821 119.1480 59.5598 30.1143 178.5047 11 I 3.7153 7.5833 119.2375 64.4658 36.8903 178.3223 12 Q 3.9905 8.6332 120.2791 58.6737 28.9980 176.8144 13 L 4.2104 7.7108 115.4916 54.5709 42.0659 177.4379 14 G 3.8950 8.0554 106.7074 45.9922 0.0000 173.7833 15 L 4.3645 7.9996 119.3047 53.7425 42.7404 176.6847 16 N 4.8936 8.2502 119.2054 51.3095 40.7711 176.0963 17 Q 3.9731 8.5457 119.0227 59.3981 28.5934 179.3553 18 A 4.0820 7.9725 121.0235 54.4422 18.0185 178.8712 19 E 4.0856 8.2970 115.4074 58.4392 30.0079 178.5526 20 L 4.0649 7.7523 121.1381 57.5238 42.2424 178.3170 21 A 3.8480 7.9112 121.2191 54.9786 18.0472 179.3542 22 Q 4.2664 7.5611 114.8928 58.6784 29.0329 178.2517 23 K 4.1104 7.4672 119.1983 58.6786 32.2520 178.5783 24 V 4.0569 7.7203 116.8176 62.8246 31.7210 176.6338 25 G 3.8138 8.2123 105.5573 46.0004 0.0000 172.4845 26 T 4.5943 7.7491 115.5355 59.9094 70.1960 172.8604 27 T 4.6206 7.7646 109.6628 59.6708 71.2150 175.2486 28 Q 4.0110 8.4865 121.4789 59.5560 28.1665 178.9147 29 Q 4.0425 8.0077 119.7587 59.0267 28.9804 178.4946 30 S 4.3227 8.0012 115.4611 60.8248 62.8647 176.6580 31 I 4.0816 7.4845 122.6195 64.0843 37.1632 177.5880 32 E 4.0136 8.8280 120.4532 59.1327 28.6228 179.0425 33 Q 3.9576 7.8808 118.1474 58.7632 28.9764 178.1349 34 L 4.1341 7.5351 120.0395 58.2824 42.1167 178.8504 35 E 3.9983 8.1655 118.2487 59.5690 29.3143 178.6409 36 N 4.6584 8.4344 112.7779 53.4726 38.4826 175.8597 37 G 3.9256 7.6860 108.2847 46.0001 0.0000 175.5532 38 K 4.0613 9.4609 119.9589 59.3819 32.2111 177.7877 39 T 4.2509 7.6303 114.2080 62.9840 69.3080 175.0000 40 K 4.1457 8.6749 125.8510 58.4995 32.6286 177.5083 41 R 4.4089 7.3826 117.8186 53.0582 31.3471 172.1270 42 P 4.1286 0.0000 0.0000 61.7752 32.1075 178.6521 43 R 3.8741 8.3154 118.4718 58.9910 29.7175 177.2312 44 F 4.6592 7.4958 112.0231 56.7536 38.2930 176.5493 45 L 3.7799 7.6076 124.3325 58.6361 41.5233 177.3823 46 P 4.2781 0.0000 0.0000 65.7293 31.3708 178.5490 47 E 4.0478 8.2385 116.9345 59.0561 29.4254 178.9592 48 L 4.0174 8.5587 120.6946 58.3335 42.2846 178.8931 49 A 4.2314 8.4023 120.9579 55.3049 18.3468 179.8519 50 S 4.0774 8.0212 113.4308 61.7414 62.7127 176.7266 51 A 4.0532 7.9118 122.2945 54.9246 18.2643 178.9606 52 L 4.3041 8.4873 115.2277 54.3081 42.3201 176.9371 53 G 3.9248 7.8864 106.4713 46.9316 0.0000 173.5634 54 V 4.4203 8.1100 114.6729 59.2829 34.9304 175.9166 55 S 4.9295 8.3680 115.3938 57.0847 67.1045 175.0511 56 V 3.6080 8.2482 123.2529 66.2811 31.2576 177.8315 57 D 4.3577 8.1488 117.2427 57.2371 40.9545 177.9685 58 W 4.2645 8.2175 128.2884 60.2556 30.5888 177.2926 59 L 4.1404 8.2399 119.5501 58.4956 41.6672 178.8284 60 L 4.0643 8.6034 118.5029 56.9342 41.6747 178.2592 61 N 4.6692 8.9469 115.8987 53.4316 40.3082 176.3648 62 G 2.8786 8.9063 109.5215 43.9733 0.0000 173.7471 63 T 3.6070 8.7077 115.2566 64.0258 68.0286 171.7202 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 S 8.19 4.34 0.00 3.96 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 2 I 8.08 3.21 1.77 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 1.58 1.50 0.84 0.00 0.00 3 S 8.78 4.10 0.00 3.87 4.03 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 0.00 0.00 0.00 4 S 7.95 4.16 0.00 4.01 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.58 3.89 0.00 1.52 1.58 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.37 0.00 6 V 8.39 3.68 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 1.08 0.00 0.00 1.03 0.00 0.00 7 K 8.30 4.77 0.00 1.99 1.82 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.47 7.81 8 S 8.26 4.16 0.00 4.20 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 9 K 8.32 3.89 0.00 1.85 1.94 0.00 1.83 0.00 0.00 1.47 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.83 7.81 10 R 7.78 3.90 0.00 2.09 2.12 0.00 3.11 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 1.86 1.69 0.00 11 I 7.58 3.72 2.10 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 1.42 0.62 0.93 0.00 0.00 12 Q 8.63 3.99 0.00 1.99 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 13 L 7.71 4.21 0.00 1.88 1.70 1.00 0.73 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 14 G 8.06 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.00 4.36 0.00 1.75 1.61 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.25 4.89 0.00 2.94 2.94 0.00 0.00 7.17 8.26 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 17 Q 8.55 3.97 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 18 A 7.97 4.08 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 19 E 8.30 4.09 0.00 2.23 2.20 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 2.64 2.30 0.00 20 L 7.75 4.06 0.00 1.76 1.68 0.94 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.91 3.85 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.56 4.27 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 23 K 7.47 4.11 0.00 1.78 1.90 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.68 7.81 24 V 7.72 4.06 2.16 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 0.61 0.00 0.00 1.02 0.00 0.00 25 G 8.21 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 26 T 7.75 4.59 3.30 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 0.55 0.00 0.00 27 T 7.76 4.62 4.39 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 1.17 0.00 0.00 28 Q 8.49 4.01 0.00 2.33 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 29 Q 8.01 4.04 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 30 S 8.00 4.32 0.00 4.00 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 31 I 7.48 4.08 2.05 0.00 0.00 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 1.66 0.90 0.95 0.00 0.00 32 E 8.83 4.01 0.00 2.14 2.01 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 2.32 2.51 0.00 33 Q 7.88 3.96 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.56 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 34 L 7.54 4.13 0.00 1.88 1.93 0.86 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.17 4.00 0.00 2.32 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 2.37 2.56 0.00 36 N 8.43 4.66 0.00 2.77 2.86 0.00 0.00 7.18 8.15 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 37 G 7.69 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 0.00 0.00 0.00 38 K 9.46 4.06 0.00 1.87 1.88 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.56 7.81 39 T 7.63 4.25 4.23 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 1.13 0.00 0.00 40 K 8.67 4.15 0.00 1.71 1.81 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.43 7.81 41 R 7.38 4.41 0.00 1.68 1.75 0.00 3.32 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 42 P 0.00 4.13 0.00 0.75 1.49 0.00 3.52 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 43 R 8.32 3.87 0.00 1.95 2.10 0.00 3.09 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 44 F 7.50 4.66 0.00 3.23 3.29 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 45 L 7.61 3.78 0.00 1.82 1.68 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.28 0.00 2.23 2.11 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 47 E 8.24 4.05 0.00 2.35 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 0.00 2.58 2.47 0.00 48 L 8.56 4.02 0.00 2.15 2.00 1.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.40 4.23 1.43 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 50 S 8.02 4.08 0.00 3.98 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 51 A 7.91 4.05 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 52 L 8.49 4.30 0.00 1.67 1.81 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.89 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 54 V 8.11 4.42 2.15 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 0.53 0.00 0.00 1.10 0.00 0.00 55 S 8.37 4.93 0.00 3.94 3.78 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 0.00 0.00 0.00 56 V 8.25 3.61 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 1.04 0.00 0.00 0.96 0.00 0.00 57 D 8.15 4.36 0.00 2.86 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 58 W 8.22 4.26 0.00 3.45 3.25 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 0.00 59 L 8.24 4.14 0.00 2.04 1.88 1.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.60 4.06 0.00 1.53 1.65 0.90 0.96 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 61 N 8.95 4.67 0.00 2.64 2.80 0.00 0.00 7.04 7.53 0.00 0.00 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 G 8.91 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 0.00 0.00 0.00 63 T 8.71 3.61 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 1.30 0.00 0.00