NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.5221 8.3349 116.8098 58.0819 64.5172 173.0602 8 D 4.7230 8.3924 121.5547 52.8356 42.0263 174.4552 9 F 5.2704 8.7520 115.3962 55.4438 41.9122 173.7070 10 V 4.5536 8.7727 112.5675 59.5611 35.2208 174.7858 11 V 4.8290 8.6159 123.1428 61.2957 34.1088 174.4213 12 I 4.9308 9.2059 128.2349 59.4109 40.6841 174.0627 13 K 5.0100 9.1071 129.0263 54.2456 34.3031 175.1266 14 A 4.4204 8.9015 130.4091 52.3038 19.1195 177.4392 15 L 4.6837 9.0110 122.3120 54.5664 42.5172 176.1195 16 E 4.6885 7.6935 115.4091 54.8328 32.1895 174.5815 17 D 4.3911 8.4302 119.6866 55.6690 41.3506 176.5879 18 G 3.8675 8.7367 109.1678 46.2863 0.0000 174.0824 19 V 3.8805 7.5456 119.5574 62.8337 32.7760 174.4637 20 N 5.3708 9.1261 124.8030 51.4191 41.5865 173.6216 21 V 4.5349 8.6873 123.8527 61.3590 33.7613 174.0945 22 I 4.6801 8.8240 129.9157 59.3895 39.6460 175.0520 23 G 4.1444 8.8511 114.9115 45.1106 0.0000 172.3605 24 L 5.4967 8.7409 125.4302 52.8083 44.1196 176.2480 25 T 4.3292 8.9331 114.9728 62.0299 69.2111 174.0517 26 R 4.3535 8.0458 126.5199 56.2170 31.3642 175.9765 27 G 3.7142 8.6362 110.8022 44.3828 0.0000 173.7020 28 A 3.8473 8.5257 122.1869 54.3933 18.7855 177.9523 29 D 4.8264 7.2144 113.2858 53.2889 42.4191 176.1761 30 T 4.7601 8.2819 118.6212 61.9878 70.9870 173.3247 31 R 4.6372 8.7905 122.2182 54.4799 33.7096 174.1857 32 F 5.2886 8.5902 119.2736 58.0369 38.9305 175.1662 33 H 4.9754 9.0863 118.8594 56.2886 30.4788 174.2062 34 H 4.7742 7.6684 117.7409 54.9581 33.3542 171.9606 35 S 4.8413 8.2046 119.3784 56.4359 64.7577 172.3571 36 E 4.4160 9.0983 129.6821 54.8022 30.9565 174.5216 37 K 4.7212 8.6232 128.9367 55.5828 33.5565 175.3675 38 L 4.8990 9.1179 127.9564 53.2512 44.2803 176.2346 39 D 5.0993 9.1506 123.8371 52.2524 43.5308 175.8713 40 K 3.9204 8.7854 121.6407 58.5354 32.2266 176.8296 41 G 4.0168 9.0861 115.8096 45.1586 0.0000 173.5053 42 E 4.2607 8.1536 119.5622 56.2497 30.8324 176.0206 43 V 4.8733 8.2802 121.8455 61.0187 34.3766 174.2133 44 L 4.7790 9.0675 129.7242 53.2442 44.8502 174.8840 45 I 5.0664 8.4619 125.9216 59.5650 39.7142 174.6959 46 A 4.6854 8.9894 129.0816 50.0925 21.9289 175.3972 47 Q 4.7321 8.7173 121.3496 55.3258 30.0941 176.0269 48 F 4.7438 8.3071 120.7428 58.0986 38.5127 175.0681 49 T 4.6941 8.9329 111.2293 60.1849 71.9274 173.9436 50 E 4.1692 8.9208 121.2223 59.4548 29.6210 177.3980 51 H 4.4664 7.8069 114.4015 56.5662 29.7826 174.4202 52 T 5.2297 8.1355 116.6585 61.9061 70.8588 174.5974 53 S 4.9753 8.8692 120.5106 58.0498 64.7023 173.4155 54 A 5.1144 7.8691 121.2708 51.2310 22.6028 175.2605 55 I 4.9840 8.4949 120.0687 59.4024 41.0663 174.6414 56 K 4.5718 9.0161 128.1416 54.5072 34.7564 174.6118 57 V 4.7597 8.3693 126.7122 61.0925 33.5089 174.4078 58 R 4.4823 8.9976 128.3812 55.3923 32.8094 174.6114 59 G 4.0413 9.0260 111.3249 43.7932 0.0000 172.5199 60 K 4.5304 9.4671 120.7818 56.0349 32.9107 175.5882 61 A 5.1429 8.7748 128.0984 50.7023 23.3918 173.6418 62 Y 4.8668 8.8965 121.6005 56.1998 40.7972 174.5687 63 I 5.0831 8.3511 126.9640 59.5487 41.1123 174.3188 64 Q 5.0369 9.0583 125.4351 54.3428 31.9278 174.8603 65 T 4.8892 8.5890 112.9374 59.4725 72.4628 174.6891 66 R 3.7664 8.4920 120.5577 59.2851 29.9507 176.4921 67 H 4.6432 7.7088 112.9530 55.4006 29.5834 174.0831 68 G 3.8111 7.8478 105.9994 43.9298 0.0000 172.6893 69 V 4.4527 8.0244 119.5382 61.8381 33.0923 176.5160 70 I 4.6687 8.4282 125.5815 59.4715 42.0545 173.2176 71 E 5.1474 8.5892 125.5705 54.5271 32.4752 175.9249 72 S 4.6957 8.6950 118.9853 57.6790 65.4547 172.8683 73 E 4.8873 8.4718 119.5117 54.0413 33.0100 176.1687 74 G 3.8412 8.8815 111.4049 46.1087 0.0000 173.0943 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 7 S 8.33 4.52 0.00 4.02 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 8 D 8.39 4.72 0.00 2.92 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 9 F 8.75 5.27 0.00 3.03 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 10 V 8.77 4.55 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 0.49 0.00 0.00 0.88 0.00 0.00 11 V 8.62 4.83 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 1.17 0.00 0.00 1.18 0.00 0.00 12 I 9.21 4.93 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 1.10 0.49 0.92 0.00 0.00 13 K 9.11 5.01 0.00 1.86 1.76 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.90 4.42 1.34 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 15 L 9.01 4.68 0.00 1.64 1.72 0.98 0.81 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 16 E 7.69 4.69 0.00 2.03 1.88 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 2.19 2.33 0.00 17 D 8.43 4.39 0.00 2.69 2.64 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 18 G 8.74 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.55 3.88 2.08 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 0.78 0.00 0.00 1.03 0.00 0.00 20 N 9.13 5.37 0.00 2.57 2.58 0.00 0.00 6.27 8.54 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 21 V 8.69 4.53 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 0.98 0.00 0.00 0.90 0.00 0.00 22 I 8.82 4.68 1.40 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.42 -0.03 0.00 0.00 23 G 8.85 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 0.00 0.00 0.00 0.00 24 L 8.74 5.50 0.00 1.93 1.72 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.93 4.33 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 1.37 0.00 0.00 26 R 8.05 4.35 0.00 1.87 1.99 0.00 3.20 0.00 0.00 3.07 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 G 8.64 3.71 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 0.00 0.00 0.00 28 A 8.53 3.85 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 29 D 7.21 4.83 0.00 2.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.76 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 1.27 0.00 0.00 31 R 8.79 4.64 0.00 1.81 1.95 0.00 2.79 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 32 F 8.59 5.29 0.00 2.94 2.85 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 33 H 9.09 4.98 0.00 3.14 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.67 4.77 0.00 3.30 3.05 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.20 4.84 0.00 3.73 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.10 4.42 0.00 2.17 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 2.26 2.29 0.00 37 K 8.62 4.72 0.00 1.78 1.68 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.45 7.81 38 L 9.12 4.90 0.00 1.56 1.53 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.15 5.10 0.00 2.58 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.79 3.92 0.00 1.78 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.30 7.81 41 G 9.09 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 0.00 0.00 0.00 42 E 8.15 4.26 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 43 V 8.28 4.87 2.08 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 9.07 4.78 0.00 1.74 1.46 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 5.07 1.79 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 1.30 0.80 0.86 0.00 0.00 46 A 8.99 4.69 1.13 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 0.00 0.00 47 Q 8.72 4.73 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 48 F 8.31 4.74 0.00 3.04 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 49 T 8.93 4.69 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 1.28 0.00 0.00 50 E 8.92 4.17 0.00 1.93 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 2.03 2.26 0.00 51 H 7.81 4.47 0.00 3.38 3.27 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.14 5.23 4.37 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 1.34 0.00 0.00 53 S 8.87 4.98 0.00 3.77 4.07 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 54 A 7.87 5.11 1.31 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 0.00 0.00 0.00 55 I 8.49 4.98 1.85 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.74 0.84 0.00 0.00 56 K 9.02 4.57 0.00 1.74 1.41 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.35 7.81 57 V 8.37 4.76 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 0.81 0.00 0.00 0.90 0.00 0.00 58 R 9.00 4.48 0.00 1.83 1.68 0.00 3.11 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 59 G 9.03 4.04 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 0.00 0.00 0.00 60 K 9.47 4.53 0.00 1.83 1.72 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.77 5.14 1.27 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 0.00 0.00 0.00 62 Y 8.90 4.87 0.00 3.03 2.82 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 63 I 8.35 5.08 1.93 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 1.21 0.63 0.86 0.00 0.00 64 Q 9.06 5.04 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 65 T 8.59 4.89 4.09 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 0.00 0.00 0.00 1.14 0.00 0.00 66 R 8.49 3.77 0.00 1.59 1.80 0.00 3.20 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 67 H 7.71 4.64 0.00 3.17 3.27 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.85 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 69 V 8.02 4.45 1.94 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 0.20 0.00 0.00 0.82 0.00 0.00 70 I 8.43 4.67 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.41 0.85 0.00 0.00 71 E 8.59 5.15 0.00 1.84 1.83 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 2.18 2.23 0.00 72 S 8.70 4.70 0.00 3.96 3.97 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 0.00 0.00 0.00 0.00 73 E 8.47 4.89 0.00 1.82 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 0.00 2.21 2.29 0.00 74 G 8.88 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 0.00 0.00 0.00