NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8379 8.3393 109.7364 45.4789 0.0000 173.2782 2 S 4.3819 8.6339 121.0015 55.8514 63.8736 171.6629 3 S 4.3210 9.0059 120.5570 58.8398 64.1305 176.7383 4 G 4.0688 9.7294 104.0485 46.1244 0.0000 172.0592 5 S 4.5630 7.8548 113.1087 57.8500 65.5316 173.0406 6 S 4.5905 8.1404 115.9935 58.6870 66.9218 173.9218 7 G 3.9935 7.8994 108.2859 45.9711 0.0000 172.0928 8 M 4.7870 8.4458 119.4375 53.8889 36.1644 174.9949 9 A 4.5022 8.3312 123.7084 50.0802 18.6795 174.4198 10 E 4.5597 8.1265 118.3029 54.6399 30.8835 175.5532 11 L 4.3857 7.8666 122.1515 54.2564 43.2029 174.7546 12 D 4.4782 8.6321 123.2353 53.7177 41.7069 175.9499 13 I 3.6437 8.5663 128.1683 62.4318 37.4049 173.2408 14 G 3.7747 8.1295 115.8883 45.0680 0.0000 172.6229 15 Q 4.7645 8.3535 122.7584 54.3069 32.0059 174.3478 16 H 5.0855 8.3666 115.7198 53.9201 32.8647 173.0305 17 C 4.9909 9.0772 120.5048 58.6136 31.0537 172.8608 18 Q 4.0998 9.1936 127.5789 59.0443 28.5412 178.7811 19 V 3.3592 7.1985 115.4189 63.5439 31.3483 174.7718 20 Q 4.2047 8.0642 125.8773 56.8653 29.5136 177.6987 21 H 3.9260 8.0259 117.3954 59.0218 28.5209 175.4186 22 C 3.5156 6.8469 118.3679 59.8652 31.7274 174.0073 23 R 3.8140 7.6225 118.1553 57.3389 27.3220 176.4826 24 Q 4.4982 8.0291 116.2027 55.5022 30.4018 175.6695 25 R 4.3794 8.6027 111.3330 56.9584 31.5083 173.8450 26 D 4.2088 8.6567 119.9666 55.6127 38.9186 172.8608 27 F 4.9829 7.1367 111.1087 54.4483 40.7289 174.4493 28 L 4.2120 8.4811 121.1774 53.1502 42.2100 175.1679 29 P 4.5318 0.0000 0.0000 62.9036 32.1335 175.8800 30 F 5.0155 8.7059 122.3308 55.5418 42.9367 174.2703 31 V 3.9857 8.5386 124.8842 61.2312 32.1246 175.7171 32 C 4.0287 8.5470 127.2645 58.5838 32.4902 173.5264 33 D 4.4993 8.5078 127.4709 54.0207 40.3943 176.3647 34 G 4.2138 7.3774 106.8920 45.8398 0.0000 173.2880 35 C 4.5090 8.0384 113.7654 56.2966 30.3672 173.7374 36 S 3.7084 7.4212 113.2023 60.2292 60.7173 172.4810 37 G 4.0398 7.3207 105.9553 44.2673 0.0000 173.6312 38 I 4.4033 8.4360 126.1821 61.3847 37.1876 175.0618 39 F 5.5378 8.6917 126.5592 55.1663 42.7324 175.4202 40 C 4.0086 7.9163 115.2133 57.4707 30.2540 174.3330 41 L 4.1145 8.5007 120.8419 58.2615 41.7415 177.9314 42 E 4.1013 8.1258 116.8496 58.6837 29.6043 177.1175 43 H 5.0807 7.7802 113.7470 55.3759 29.4809 175.1572 44 R 4.1083 7.7503 119.0960 59.1134 29.4126 177.4464 45 S 4.3667 7.7694 111.3286 57.5225 63.2562 173.9751 46 K 4.1917 8.5283 122.9417 59.6597 32.4696 179.2271 47 D 4.3625 8.2674 118.1023 57.6691 40.9829 179.1631 48 S 4.2883 8.2596 113.8355 61.3984 62.8303 174.7953 49 H 4.7958 8.3364 114.0234 54.7115 28.7592 173.5980 50 G 3.9247 8.4453 106.5924 48.1116 0.0000 173.6741 51 C 3.5792 7.2726 116.8702 58.4015 32.6698 174.6001 52 S 4.1752 8.8020 120.7673 59.5075 62.5651 173.5461 53 E 3.8417 7.2744 115.8719 57.3522 27.1479 175.3858 54 V 4.1677 7.5734 116.2136 62.5896 33.2666 177.2914 55 N 4.3539 8.3115 117.7298 55.9556 38.4455 175.4552 56 V 4.0210 7.4392 112.8898 59.1925 30.7598 175.3870 57 V 3.5378 8.1959 123.6070 62.7955 31.7468 176.0569 58 K 3.7949 8.6702 125.4619 56.1316 32.5334 175.2756 59 E 3.8342 8.4560 121.2570 56.3604 28.9828 176.5495 60 R 4.7209 8.1178 121.9711 53.0623 32.5762 173.3742 61 P 4.2799 0.0000 0.0000 62.8611 31.7193 176.2840 62 K 4.4255 8.2872 122.6592 54.7153 34.3988 175.4542 63 T 4.1670 7.9821 114.0842 61.0622 68.0548 173.5778 64 D 4.2931 8.5286 124.1863 54.6982 40.6554 174.8482 65 E 4.7350 8.5199 126.9941 54.4348 32.3835 173.9660 66 H 5.1055 8.4307 115.3338 53.7872 31.1998 172.5823 67 K 4.6528 8.2226 118.7501 55.6524 36.2319 175.6996 68 S 4.6341 8.3658 113.7716 57.4870 65.4885 172.9985 69 Y 4.7832 7.7238 120.5242 56.6507 40.0569 173.1184 70 S 4.4733 8.2881 113.8229 57.6108 65.1736 174.5579 71 G 4.0630 8.3547 113.2650 43.7942 0.0000 172.5951 72 P 4.2590 0.0000 0.0000 64.6603 31.5292 176.0969 73 S 4.5046 7.0668 109.8271 57.7243 64.9087 174.3422 74 S 4.7923 8.3776 116.9632 56.1201 66.5116 174.7213 75 G 3.7420 8.5803 109.4450 46.0616 0.0000 173.7092 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 G 8.34 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 2 S 8.63 4.38 0.00 4.03 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 3 S 9.01 4.32 0.00 3.84 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.73 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 0.00 0.00 0.00 5 S 7.85 4.56 0.00 3.94 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 6 S 8.14 4.59 0.00 3.83 3.79 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 0.00 0.00 0.00 0.00 7 G 7.90 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 8 M 8.45 4.79 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 9 A 8.33 4.50 1.22 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 0.00 0.00 10 E 8.13 4.56 0.00 1.91 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 2.18 2.24 0.00 11 L 7.87 4.39 0.00 1.70 1.59 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.63 4.48 0.00 2.61 2.59 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 13 I 8.57 3.64 1.85 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 1.34 0.64 0.91 0.00 0.00 14 G 8.13 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 15 Q 8.35 4.76 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 16 H 8.37 5.09 0.00 3.17 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 9.08 4.99 0.00 2.68 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 18 Q 9.19 4.10 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 19 V 7.20 3.36 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 0.63 0.00 0.00 0.30 0.00 0.00 20 Q 8.06 4.20 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.44 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 21 H 8.03 3.93 0.00 3.26 3.41 0.00 5.55 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 6.85 3.52 0.00 2.81 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 23 R 7.62 3.81 0.00 1.99 2.00 0.00 3.42 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.57 0.00 24 Q 8.03 4.50 0.00 2.14 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.20 0.00 25 R 8.60 4.38 0.00 1.87 1.90 0.00 3.15 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 26 D 8.66 4.21 0.00 2.81 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 27 F 7.14 4.98 0.00 3.13 3.09 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 0.00 28 L 8.48 4.21 0.00 1.67 1.11 1.11 0.98 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 29 P 0.00 4.53 0.00 1.96 1.99 0.00 3.43 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 30 F 8.71 5.02 0.00 3.22 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 31 V 8.54 3.99 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 0.62 0.00 0.00 0.85 0.00 0.00 32 C 8.55 4.03 0.00 2.16 2.41 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 33 D 8.51 4.50 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.38 4.21 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 35 C 8.04 4.51 0.00 3.18 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 36 S 7.42 3.71 0.00 4.05 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 37 G 7.32 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 38 I 8.44 4.40 1.96 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 1.33 0.90 1.05 0.00 0.00 39 F 8.69 5.54 0.00 2.92 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.92 4.01 0.00 2.71 1.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.50 4.11 0.00 2.00 1.88 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.13 4.10 0.00 1.82 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 2.28 2.30 0.00 43 H 7.78 5.08 0.00 3.06 3.21 0.00 5.72 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.75 4.11 0.00 1.79 2.23 0.00 2.40 0.00 0.00 2.87 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.46 0.00 45 S 7.77 4.37 0.00 3.85 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 46 K 8.53 4.19 0.00 1.86 1.81 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.48 7.81 47 D 8.27 4.36 0.00 2.69 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 48 S 8.26 4.29 0.00 4.17 4.16 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 49 H 8.34 4.80 0.00 3.03 3.20 0.00 5.70 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 50 G 8.45 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 51 C 7.27 3.58 0.00 2.81 2.78 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 52 S 8.80 4.18 0.00 3.90 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.27 3.84 0.00 2.11 1.97 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 2.26 2.22 0.00 54 V 7.57 4.17 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 0.85 0.00 0.00 0.94 0.00 0.00 55 N 8.31 4.35 0.00 2.89 2.93 0.00 0.00 7.07 7.69 0.00 0.00 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 7.44 4.02 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 0.63 0.00 0.00 0.93 0.00 0.00 57 V 8.20 3.54 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 0.88 0.00 0.00 0.93 0.00 0.00 58 K 8.67 3.79 0.00 1.78 1.77 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.47 7.81 59 E 8.46 3.83 0.00 1.91 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 2.30 2.29 0.00 60 R 8.12 4.72 0.00 1.90 1.97 0.00 3.09 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 61 P 0.00 4.28 0.00 2.20 2.11 0.00 3.74 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 1.99 1.98 0.00 62 K 8.29 4.43 0.00 1.74 1.80 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.46 7.81 63 T 7.98 4.17 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 1.22 0.00 0.00 64 D 8.53 4.29 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.52 4.74 0.00 1.95 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 2.19 2.29 0.00 66 H 8.43 5.11 0.00 3.26 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.22 4.65 0.00 1.84 1.87 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.37 7.81 68 S 8.37 4.63 0.00 3.93 3.82 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 69 Y 7.72 4.78 0.00 3.08 2.89 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 70 S 8.29 4.47 0.00 3.74 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 71 G 8.35 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.26 0.00 2.20 2.20 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 73 S 7.07 4.50 0.00 3.79 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 74 S 8.38 4.79 0.00 3.84 3.70 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 75 G 8.58 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00