NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2271 8.2549 119.6749 55.1136 32.5727 175.7270 2 P 4.1591 0.0000 0.0000 61.5222 32.0086 175.8046 3 D 4.4393 8.5116 122.2379 57.0587 41.7615 178.6679 4 F 4.4466 7.9333 114.8002 59.6790 37.8133 177.7194 5 C 4.6293 7.3304 115.6538 58.7582 39.9909 174.0274 6 L 4.4373 7.5615 118.7860 54.5911 42.5021 176.8648 7 E 4.2137 7.7827 118.2346 55.2839 29.9752 175.2119 8 P 4.3521 0.0000 0.0000 61.5058 32.0662 174.7478 9 P 3.4949 0.0000 0.0000 62.9637 31.2024 175.4250 10 Y 4.5886 7.7926 121.5956 56.0350 39.7280 175.2722 11 T 4.1545 7.6783 125.0540 64.3630 68.8684 176.3470 12 G 3.4013 6.6361 108.5501 43.7155 0.0000 170.9336 13 P 4.3554 0.0000 0.0000 64.4173 32.1788 177.4066 14 C 4.4818 7.7718 116.5931 56.8937 40.7577 173.8212 15 K 4.1647 8.1820 118.9564 56.0327 32.3140 176.4386 16 A 4.1054 7.5512 122.0411 52.2622 19.8742 177.0702 17 R 4.5849 8.3828 118.7263 54.4839 31.6260 173.5623 18 I 4.4714 8.2850 126.4083 58.8759 40.0320 174.7680 19 I 4.1888 8.3436 128.2754 60.9840 38.5903 174.9579 20 R 4.8685 8.4438 126.8718 54.8502 35.2150 173.2664 21 Y 5.5853 9.3347 117.7996 56.4597 41.2239 175.2455 22 F 5.7001 9.6589 117.5174 55.2558 41.8254 173.0431 23 Y 4.2980 9.6564 122.8820 57.3955 40.0026 173.5783 24 N 4.7720 7.8687 126.1231 51.6789 39.7083 175.1992 25 A 3.7469 8.4611 130.5181 54.9124 18.8295 178.7055 26 K 4.0753 7.7060 113.4662 58.6828 32.3510 178.1727 27 A 4.0494 7.9890 120.9038 52.5246 19.0428 178.4001 28 G 3.9429 9.5421 102.9409 44.8930 0.0000 172.2342 29 L 4.6066 6.7248 118.7293 54.7610 44.0275 174.5505 30 C 4.9618 8.6084 116.3686 56.5270 39.0534 173.4703 31 Q 4.9289 8.6723 121.1483 54.0508 32.8864 174.6815 32 T 4.7752 8.5302 111.0668 61.6345 70.2786 173.7028 33 F 5.0381 9.0705 117.8745 55.6499 42.4890 173.1345 34 V 4.3056 8.4092 119.5979 62.1254 32.6889 173.8107 35 Y 4.7616 8.5597 130.3172 56.4607 40.3412 176.2940 36 G 3.9048 8.0507 112.8961 45.6358 0.0000 175.0582 37 G 3.9521 6.7267 107.2858 45.0929 0.0000 172.2999 38 C 4.9194 6.9535 112.2498 55.1506 44.4242 173.4350 39 R 3.9059 8.8850 117.8169 56.8773 26.4065 176.5580 40 A 4.1541 8.5690 119.7313 52.8059 18.6022 178.9218 41 K 4.2530 8.5538 122.3294 55.7532 33.3027 177.1948 42 R 3.6856 8.0495 117.8441 58.8496 30.4390 177.6492 43 N 4.9039 7.9230 117.4183 51.3129 37.1996 173.4452 44 N 4.9473 6.4389 114.8979 52.9220 41.8229 173.2164 45 F 5.1147 9.2838 124.2304 55.6860 43.0370 176.1806 46 K 4.2341 8.9507 121.7997 58.2412 32.6675 177.6503 47 S 4.3018 7.7738 112.0034 55.4916 67.3909 174.6424 48 A 3.7772 6.9840 123.4308 54.8870 18.0542 179.9664 49 E 3.7935 7.7839 116.8729 59.5079 29.3223 178.9919 50 D 4.2619 8.1358 119.0482 57.5239 40.9118 177.9373 51 C 2.4500 7.6103 118.5974 59.4893 44.2131 175.6478 52 M 3.8030 8.1124 120.4948 58.0597 31.2981 178.4198 53 R 3.7608 7.4070 117.8224 59.7609 30.1943 178.0181 54 T 4.2415 7.0825 112.1940 65.1059 69.3791 175.0152 55 C 4.5501 7.9983 115.7791 56.0625 42.3875 174.3735 56 G 3.7522 7.4321 109.4351 46.9534 0.0000 172.5661 57 G 3.9858 8.7968 110.1441 45.2772 0.0000 173.3020 58 A 4.0409 6.9888 125.9270 52.3106 18.2208 176.9491 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 4.23 0.00 1.74 2.00 0.00 3.14 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 2 P 0.00 4.16 0.00 1.33 1.78 0.00 3.27 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.01 0.00 3 D 8.51 4.44 0.00 2.72 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 4 F 7.93 4.45 0.00 3.24 3.32 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 5 C 7.33 4.63 0.00 2.93 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 6 L 7.56 4.44 0.00 1.79 1.75 0.93 1.00 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 7 E 7.78 4.21 0.00 2.25 1.92 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 2.43 2.50 0.00 8 P 0.00 4.35 0.00 2.00 1.92 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 9 P 0.00 3.49 0.00 1.04 0.49 0.00 3.30 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.61 0.00 10 Y 7.79 4.59 0.00 2.83 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 11 T 7.68 4.15 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 1.14 0.00 0.00 12 G 6.64 3.40 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 0.00 13 P 0.00 4.36 0.00 2.17 2.18 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 14 C 7.77 4.48 0.00 2.80 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 15 K 8.18 4.16 0.00 1.67 1.76 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.50 7.81 16 A 7.55 4.11 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.58 0.00 1.73 1.78 0.00 3.15 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 18 I 8.28 4.47 2.06 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 1.11 0.64 0.99 0.00 0.00 19 I 8.34 4.19 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.56 0.87 0.00 0.00 20 R 8.44 4.87 0.00 0.76 1.72 0.00 3.40 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 21 Y 9.33 5.59 0.00 3.27 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 9.66 5.70 0.00 3.30 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 23 Y 9.66 4.30 0.00 3.08 3.02 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 24 N 7.87 4.77 0.00 2.20 2.38 0.00 0.00 6.66 7.78 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 25 A 8.46 3.75 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.08 0.00 1.77 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.38 7.81 27 A 7.99 4.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.54 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 0.00 0.00 0.00 29 L 6.72 4.61 0.00 1.67 1.75 0.90 0.58 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 30 C 8.61 4.96 0.00 2.90 3.16 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 31 Q 8.67 4.93 0.00 1.54 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.95 0.00 0.00 0.00 0.00 0.00 2.12 1.85 0.00 32 T 8.53 4.78 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 0.99 0.00 0.00 33 F 9.07 5.04 0.00 3.03 3.13 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 34 V 8.41 4.31 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 0.87 0.00 0.00 0.90 0.00 0.00 35 Y 8.56 4.76 0.00 2.59 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 36 G 8.05 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 37 G 6.73 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 0.00 0.00 0.00 38 C 6.95 4.92 0.00 3.05 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 39 R 8.89 3.91 0.00 2.32 2.34 0.00 3.45 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 40 A 8.57 4.15 1.05 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 0.00 0.00 41 K 8.55 4.25 0.00 1.75 1.70 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.04 7.81 42 R 8.05 3.69 0.00 0.92 0.66 0.00 2.27 0.00 0.00 2.79 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.23 0.00 43 N 7.92 4.90 0.00 3.20 2.90 0.00 0.00 6.71 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 6.44 4.95 0.00 2.74 2.64 0.00 0.00 7.07 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 9.28 5.11 0.00 3.40 3.02 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 46 K 8.95 4.23 0.00 1.83 1.95 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.56 7.81 47 S 7.77 4.30 0.00 4.01 3.83 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 48 A 6.98 3.78 1.07 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 0.00 0.00 49 E 7.78 3.79 0.00 1.96 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 2.35 0.00 50 D 8.14 4.26 0.00 3.00 2.84 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 51 C 7.61 2.45 0.00 2.96 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 52 M 8.11 3.80 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.78 0.00 53 R 7.41 3.76 0.00 1.96 2.04 0.00 3.23 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 1.62 1.65 0.00 54 T 7.08 4.24 4.19 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 1.54 0.00 0.00 55 C 8.00 4.55 0.00 2.90 2.53 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 0.00 0.00 0.00 0.00 56 G 7.43 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 0.00 0.00 0.00 57 G 8.80 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 0.00 0.00 0.00 58 A 6.99 4.04 1.04 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