NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3190 8.2493 123.5817 51.8503 20.1971 177.7995 2 K 4.0040 8.5432 115.0748 53.9446 34.1460 175.4409 3 T 4.6274 8.9857 111.9070 60.9404 71.2808 175.0175 4 I 4.4537 8.1667 125.1637 59.7136 39.9549 174.6068 5 K 4.9462 8.9343 126.5813 54.8701 33.6507 175.5823 6 I 5.0570 8.4096 118.6545 59.6352 41.0791 174.6815 7 T 4.6236 8.2199 118.1588 62.1633 72.7113 175.1152 8 Q 3.9345 8.8485 124.6932 57.3218 31.1598 179.4023 9 T 3.3239 8.2389 113.4187 64.6594 66.7658 174.8868 10 R 4.3847 8.9078 123.6777 55.7847 31.7615 176.0936 11 S 4.3637 8.3842 113.9547 58.4429 64.1359 173.7615 12 A 4.7467 8.2799 123.4477 52.2729 19.1293 179.1270 13 I 3.7639 7.8663 120.0859 65.8707 37.2653 177.5251 14 G 3.8944 7.9345 106.2374 45.7795 0.0000 173.5203 15 R 4.5162 7.1077 117.7913 54.3603 31.8962 176.2198 16 L 4.1993 8.0817 119.0672 54.3782 42.4291 176.3148 17 P 4.6046 0.0000 0.0000 63.2609 31.9294 176.9642 18 K 4.3321 7.8382 119.1022 57.6117 32.4389 176.2118 19 H 4.8598 7.9014 113.7850 56.5504 29.4581 175.3723 20 K 4.3234 7.5060 116.4548 56.5033 32.5299 176.8140 21 A 4.7149 7.9214 120.1278 52.0235 19.4908 177.1849 22 T 4.4303 7.6592 114.2246 65.1568 70.0451 176.4974 23 L 4.0897 7.7835 120.9596 57.3321 41.4269 178.8198 24 L 3.9917 7.7820 119.2900 58.2903 42.1980 178.8939 25 G 3.7631 8.1026 103.4919 47.3672 0.0000 174.5339 26 L 4.4335 7.9040 118.6952 54.2255 42.2684 177.5591 27 G 3.8772 7.6790 106.3433 45.7180 0.0000 173.6619 28 L 3.9252 7.6031 118.8298 54.6541 42.1323 177.6709 29 R 4.5233 8.1156 114.6451 57.1906 31.8605 173.9666 30 R 4.7205 7.8302 117.1061 55.2460 33.9830 174.5117 31 I 4.4178 8.4298 109.8691 61.0453 38.4624 176.1306 32 G 4.1105 7.7462 108.6223 44.1739 0.0000 170.5785 33 H 4.1366 7.8922 118.2856 53.3507 31.7011 171.2899 34 T 3.6477 9.3341 127.3695 64.2706 67.0045 171.4811 35 V 4.7043 7.9088 124.3681 59.9901 35.4468 173.8508 36 E 5.2242 8.7360 120.2835 54.6743 32.6545 175.5130 37 R 4.6997 8.5049 123.2790 54.2839 33.4628 174.3609 38 E 4.5212 8.8903 124.3050 56.2522 30.7410 176.2728 39 D 4.5826 8.6256 121.6319 54.4499 41.8275 176.6437 40 T 4.7379 8.0166 112.8272 58.7400 73.0561 173.2316 41 P 4.2876 0.0000 0.0000 64.8277 31.6376 178.7283 42 A 4.1392 7.8887 120.3268 55.0616 18.3312 178.9883 43 I 3.9698 8.0185 109.4914 62.3527 36.2923 177.1805 44 R 4.3886 7.6146 119.3395 56.8231 29.2330 177.6163 45 G 3.8134 7.9582 105.0637 45.8949 0.0000 175.9093 46 M 4.0042 7.9211 120.9353 58.6497 31.5624 178.1218 47 I 3.7245 7.1453 119.9382 64.8322 37.0789 178.2176 48 N 4.3598 7.4486 115.0886 56.3068 38.5327 177.2337 49 A 4.2189 7.3618 119.4436 54.0999 19.3474 177.8352 50 V 4.4110 7.3758 109.7498 60.6368 32.9208 177.5481 51 S 4.2222 8.5394 116.5106 60.8175 62.7055 175.5961 52 F 4.3149 8.2747 112.7465 58.7709 37.7038 174.9175 53 M 4.3610 6.8150 120.0264 54.9803 32.8635 175.2521 54 V 4.6832 7.5813 110.5526 59.3967 34.7437 175.0139 55 K 4.5860 8.5341 124.4236 55.1661 35.0129 175.4001 56 V 4.5466 8.3328 122.5859 61.1055 34.1757 174.2051 57 E 4.5762 8.9335 127.5238 54.5215 31.8173 176.3105 58 E 4.1425 8.6948 123.3507 56.5390 29.7066 176.9249 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 A 8.25 4.32 1.23 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 0.00 0.00 2 K 8.54 4.00 0.00 1.95 1.83 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.63 7.81 3 T 8.99 4.63 4.24 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 1.21 0.00 0.00 4 I 8.17 4.45 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.47 0.93 0.00 0.00 5 K 8.93 4.95 0.00 1.86 1.72 0.00 1.49 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.61 7.81 6 I 8.41 5.06 1.83 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 1.18 0.88 0.00 0.00 7 T 8.22 4.62 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 1.26 0.00 0.00 8 Q 8.85 3.93 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.22 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 9 T 8.24 3.32 4.18 0.00 0.00 0.00 0.00 0.00 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 10 R 8.91 4.38 0.00 1.85 1.92 0.00 3.28 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 11 S 8.38 4.36 0.00 3.99 3.88 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 12 A 8.28 4.75 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 13 I 7.87 3.76 1.89 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 1.36 0.59 0.92 0.00 0.00 14 G 7.93 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 0.00 0.00 0.00 15 R 7.11 4.52 0.00 1.98 2.09 0.00 3.36 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 16 L 8.08 4.20 0.00 1.16 1.42 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.60 0.00 2.21 2.27 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 18 K 7.84 4.33 0.00 1.71 1.87 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.55 7.81 19 H 7.90 4.86 0.00 3.37 3.31 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.51 4.32 0.00 1.99 1.85 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.57 7.81 21 A 7.92 4.71 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 22 T 7.66 4.43 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 1.19 0.00 0.00 23 L 7.78 4.09 0.00 1.67 1.68 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.78 3.99 0.00 1.61 1.85 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 25 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 26 L 7.90 4.43 0.00 1.57 1.68 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.68 3.88 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 28 L 7.60 3.93 0.00 1.58 1.68 0.85 0.75 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 29 R 8.12 4.52 0.00 1.88 1.97 0.00 3.00 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 30 R 7.83 4.72 0.00 1.79 1.87 0.00 3.15 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 31 I 8.43 4.42 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 0.98 0.00 0.00 32 G 7.75 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 0.00 0.00 0.00 33 H 7.89 4.14 0.00 3.24 3.08 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 9.33 3.65 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 35 V 7.91 4.70 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 0.76 0.00 0.00 0.94 0.00 0.00 36 E 8.74 5.22 0.00 1.81 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 2.19 2.32 0.00 37 R 8.50 4.70 0.00 1.82 1.69 0.00 3.13 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 38 E 8.89 4.52 0.00 1.99 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 0.00 2.27 2.40 0.00 39 D 8.63 4.58 0.00 2.75 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 40 T 8.02 4.74 4.24 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 1.21 0.00 0.00 41 P 0.00 4.29 0.00 2.04 2.15 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 42 A 7.89 4.14 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 43 I 8.02 3.97 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.86 0.90 0.00 0.00 44 R 7.61 4.39 0.00 2.07 1.99 0.00 3.10 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 45 G 7.96 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 46 M 7.92 4.00 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.62 0.00 47 I 7.15 3.72 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.23 0.89 0.00 0.00 48 N 7.45 4.36 0.00 2.78 2.88 0.00 0.00 7.05 7.23 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 49 A 7.36 4.22 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 50 V 7.38 4.41 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 0.62 0.00 0.00 0.88 0.00 0.00 51 S 8.54 4.22 0.00 4.12 3.95 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 52 F 8.27 4.31 0.00 3.23 3.21 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 0.00 53 M 6.82 4.36 0.00 1.55 0.69 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 54 V 7.58 4.68 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 0.66 0.00 0.00 0.96 0.00 0.00 55 K 8.53 4.59 0.00 1.82 1.89 0.00 1.24 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.42 7.81 56 V 8.33 4.55 2.07 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 0.83 0.00 0.00 0.91 0.00 0.00 57 E 8.93 4.58 0.00 2.12 1.84 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 2.21 2.28 0.00 58 E 8.69 4.14 0.00 1.95 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 2.30 2.24 0.00