NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1360 8.2549 120.8434 55.0517 31.3452 175.1898 2 P 4.0087 0.0000 0.0000 62.1300 31.9535 175.9667 3 D 4.3695 8.4591 122.3653 57.0589 41.6487 178.4828 4 F 4.4267 7.9282 114.4597 59.4227 37.6579 177.6250 5 C 4.6900 7.5751 116.4822 59.0690 40.0453 174.6470 6 L 4.2673 7.7447 119.0040 54.3146 42.0192 176.7091 7 E 4.2869 7.4089 118.7431 55.0902 30.2251 175.0461 8 P 4.4013 0.0000 0.0000 61.4295 32.1503 174.6765 9 P 3.7081 0.0000 0.0000 62.3844 31.7437 175.2905 10 Y 4.6597 7.6654 120.7619 55.9927 40.6858 176.2836 11 T 3.9613 8.3892 125.0455 65.2827 68.8120 175.6481 12 G 3.6548 6.7873 106.2960 43.6068 0.0000 170.8609 13 P 4.3503 0.0000 0.0000 64.7189 32.0213 177.4556 14 C 4.4637 7.8147 116.1157 56.9983 40.6940 173.7065 15 K 4.3570 8.1830 118.3539 56.1601 32.2952 176.6356 16 A 4.1554 7.6939 122.1054 52.0821 19.8911 177.5576 17 R 4.7939 8.4160 118.3371 54.4191 31.2794 174.9285 18 I 4.5304 8.3070 124.3508 59.1781 40.6239 174.7218 19 I 4.3874 8.2943 127.6117 60.6877 38.0915 175.2381 20 R 4.6621 8.3203 124.7423 54.6306 34.8841 173.5270 21 Y 5.5639 9.2940 117.5437 56.6187 41.2069 175.2322 22 F 5.7870 9.5395 116.4378 55.6816 42.3788 172.4848 23 Y 4.4436 9.5453 121.5235 56.6638 39.6714 174.9419 24 N 4.7235 8.0512 126.6469 52.0276 38.3460 175.2176 25 A 3.8995 8.4353 128.7732 54.3242 19.0768 179.3329 26 K 4.0567 8.1629 114.7412 59.6423 32.3359 178.6265 27 A 3.9594 8.1970 120.5747 53.1780 18.3816 177.9228 28 G 3.8500 8.2227 103.7246 46.4080 0.0000 173.2689 29 L 4.7940 6.8791 116.9148 52.3890 46.6434 175.7852 30 V 4.1498 8.2310 120.7092 62.9750 32.5023 174.9384 31 Q 4.7833 8.6533 125.3369 54.6260 33.6869 173.7449 32 T 5.2203 8.4912 110.1234 60.6011 71.3709 173.3632 33 F 5.0380 8.9054 116.9595 55.9224 42.1574 172.9792 34 V 4.2639 8.3967 119.5737 61.8914 32.3494 174.1267 35 Y 4.8097 8.6609 130.4953 56.3637 40.3344 176.1618 36 G 4.1496 8.1696 113.0862 45.5223 0.0000 174.6270 37 G 3.7667 5.6509 108.3121 45.4705 0.0000 172.8741 38 C 4.9277 6.8174 111.9211 54.5996 45.0253 173.1328 39 R 3.7950 8.7544 115.9862 57.3967 26.6998 176.9238 40 A 4.3143 8.0793 119.3036 52.1979 19.3462 178.1966 41 K 4.3435 8.2933 120.7775 55.0220 33.8037 177.3863 42 R 3.5163 8.0166 118.1154 58.9058 30.3648 177.6511 43 N 4.7954 7.9239 117.7829 51.3733 37.3904 173.9259 44 N 5.0244 6.4582 116.4317 52.7367 41.6957 173.1460 45 F 5.1096 9.4726 124.6372 55.6535 42.5978 176.4230 46 K 4.3421 8.9006 121.7456 58.2783 32.5972 177.6760 47 S 4.4136 7.7603 112.5077 55.4755 67.3554 174.5878 48 A 3.6187 7.1535 123.9008 55.0634 18.0298 179.9602 49 E 3.8157 7.8225 116.8551 59.3833 29.5475 179.1013 50 D 4.2085 7.7500 118.8719 57.1754 40.8874 178.4632 51 A 2.0000 7.1865 120.7683 54.7689 18.2987 179.3717 52 M 3.7995 7.8294 116.5375 58.6689 32.0809 178.2787 53 R 3.7738 7.9317 118.1042 59.7068 30.2814 178.3979 54 T 4.0568 7.5928 114.2462 66.3118 68.7759 175.6065 55 C 4.4377 7.9838 115.3531 56.7294 41.0881 174.8441 56 G 3.2056 7.7361 108.9330 46.0658 0.0000 174.8697 57 G 3.9186 7.6528 106.7863 45.3612 0.0000 173.2414 58 A 4.0968 8.3937 121.6963 52.4831 18.4125 177.7480 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 R 8.25 4.14 0.00 1.67 1.81 0.00 3.12 0.00 0.00 3.06 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.57 0.00 2 P 0.00 4.01 0.00 0.88 1.55 0.00 3.34 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.02 0.00 3 D 8.46 4.37 0.00 2.70 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 4 F 7.93 4.43 0.00 3.54 3.37 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 5 C 7.58 4.69 0.00 2.97 3.22 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 6 L 7.74 4.27 0.00 1.75 1.75 0.93 0.86 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 7 E 7.41 4.29 0.00 1.97 1.89 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 2.42 2.58 0.00 8 P 0.00 4.40 0.00 1.94 1.90 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 9 P 0.00 3.71 0.00 0.49 0.49 0.00 3.28 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.44 0.00 10 Y 7.67 4.66 0.00 2.84 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 11 T 8.39 3.96 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 1.17 0.00 0.00 12 G 6.79 3.65 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 0.00 0.00 0.00 13 P 0.00 4.35 0.00 2.16 2.18 0.00 3.90 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 1.96 2.02 0.00 14 C 7.81 4.46 0.00 2.82 2.93 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 15 K 8.18 4.36 0.00 1.66 1.75 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.31 7.81 16 A 7.69 4.16 1.16 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 0.00 0.00 17 R 8.42 4.79 0.00 1.60 1.83 0.00 3.15 0.00 0.00 3.27 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 18 I 8.31 4.53 2.02 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 1.20 0.74 0.96 0.00 0.00 19 I 8.29 4.39 1.75 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 1.23 0.41 0.62 0.00 0.00 20 R 8.32 4.66 0.00 0.86 1.83 0.00 3.37 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 21 Y 9.29 5.56 0.00 3.18 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 22 F 9.54 5.79 0.00 3.33 3.22 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 23 Y 9.55 4.44 0.00 3.04 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 24 N 8.05 4.72 0.00 2.38 2.47 0.00 0.00 6.67 9.16 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 25 A 8.44 3.90 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 4.06 0.00 1.78 1.87 0.00 1.68 0.00 0.00 2.00 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 27 A 8.20 3.96 1.20 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 0.00 0.00 0.00 0.00 0.00 28 G 8.22 3.85 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 0.00 0.00 0.00 29 L 6.88 4.79 0.00 1.37 1.38 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.23 4.15 2.13 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 0.87 0.00 0.00 1.02 0.00 0.00 31 Q 8.65 4.78 0.00 1.38 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.48 0.00 0.00 0.00 0.00 0.00 2.17 2.00 0.00 32 T 8.49 5.22 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 0.80 0.00 0.00 33 F 8.91 5.04 0.00 3.07 3.14 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 34 V 8.40 4.26 2.09 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 0.72 0.00 0.00 0.91 0.00 0.00 35 Y 8.66 4.81 0.00 2.59 2.75 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 36 G 8.17 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 5.65 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 6.82 4.93 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 39 R 8.75 3.80 0.00 2.32 2.28 0.00 3.44 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 40 A 8.08 4.31 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 41 K 8.29 4.34 0.00 1.74 1.83 0.00 1.38 0.00 0.00 1.47 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.06 7.81 42 R 8.02 3.52 0.00 1.03 0.66 0.00 2.48 0.00 0.00 2.90 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.26 0.00 43 N 7.92 4.80 0.00 3.23 2.85 0.00 0.00 6.69 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 6.46 5.02 0.00 2.68 2.60 0.00 0.00 7.08 7.02 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 45 F 9.47 5.11 0.00 3.28 2.97 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 46 K 8.90 4.34 0.00 1.85 1.96 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.49 7.81 47 S 7.76 4.41 0.00 4.00 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 48 A 7.15 3.62 0.90 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 49 E 7.82 3.82 0.00 1.98 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 0.00 2.32 2.38 0.00 50 D 7.75 4.21 0.00 2.87 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 51 A 7.19 2.00 1.08 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 0.00 0.00 52 M 7.83 3.80 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 53 R 7.93 3.77 0.00 1.80 1.94 0.00 3.29 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 54 T 7.59 4.06 4.12 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 1.58 0.00 0.00 55 C 7.98 4.44 0.00 2.57 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 0.00 0.00 0.00 0.00 56 G 7.74 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 0.00 0.00 0.00 57 G 7.65 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 58 A 8.39 4.10 1.20 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 0.00 0.00 0.00 0.00 0.00