NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 S 4.4086 8.1933 115.4053 58.0044 65.0588 173.8458 35 S 4.0594 7.5967 117.6213 58.0563 63.2048 174.4873 36 G 3.6455 7.8112 111.1084 47.4140 0.0000 175.8629 37 R 4.0771 7.7588 116.5770 59.0698 30.0819 177.8104 38 F 5.1176 8.2328 116.5448 58.5937 39.3234 176.3489 39 G 3.7482 7.7757 107.0175 46.3177 0.0000 175.8618 40 A 4.3550 8.5217 132.9392 52.3691 18.4089 177.0931 41 R 4.1867 6.9977 116.2401 56.5570 31.8351 174.2676 42 Y 3.8478 7.1499 119.4117 56.5808 36.4145 169.6754 43 G 4.0631 8.2749 102.4389 43.5220 0.0000 173.5904 44 R 3.8277 8.3739 117.0946 60.0788 29.7884 179.0651 45 V 3.6386 7.7748 116.8788 66.5765 31.3427 178.5336 46 S 4.1291 8.0614 114.5706 61.5042 62.8784 176.2367 47 R 4.1809 8.2304 117.4543 57.8567 29.4238 178.2615 48 R 4.0554 7.9911 120.3499 59.1241 30.3119 177.7750 49 R 4.1897 7.9075 114.8025 57.5432 30.3777 177.7119 50 V 4.1477 7.2989 118.0432 63.5191 33.1540 177.2914 51 A 4.0649 7.5818 121.8179 54.4249 18.1529 179.4249 52 E 3.8756 8.1666 117.0867 59.7715 29.4988 179.6929 53 I 3.2391 7.7334 117.8892 63.9124 36.9594 177.4086 54 E 4.3118 8.0735 118.9954 58.1528 29.6033 178.2744 55 S 4.2670 7.8135 112.1472 59.9661 62.9872 173.8230 56 E 4.8102 8.8492 123.3591 55.7678 29.6035 175.8107 57 M 5.0679 7.9184 115.0748 56.3167 37.2958 174.2141 58 N 4.9023 7.7720 115.6777 53.4211 38.4882 173.0389 59 E 4.8035 8.0139 116.6951 54.5601 33.3604 174.9321 60 D 5.1998 8.2702 118.1067 52.6303 43.4567 175.4597 61 H 5.0688 8.7542 119.5500 53.1440 33.1260 173.1302 62 A 4.3998 8.5273 122.0375 52.1756 18.9087 176.4570 63 C 4.2371 9.2537 124.3329 56.6131 33.1940 174.1219 64 P 4.3625 0.0000 0.0000 61.8065 30.1801 176.4305 65 N 4.5489 7.8255 114.9292 54.6092 43.7454 173.7426 66 C 4.4922 9.2376 109.6496 60.8365 31.1182 173.3954 67 G 3.2497 6.6692 109.5681 44.2555 0.0000 173.5279 68 E 4.2529 7.5399 120.9848 55.5002 30.6170 176.5918 69 D 5.3462 8.1990 117.7833 54.8889 41.5145 178.6538 70 R 4.3190 7.6842 121.8022 55.0307 29.1615 176.8804 71 V 4.4654 7.9607 119.4945 62.5227 32.4790 174.8718 72 D 5.2610 9.0834 127.5447 52.6320 44.5060 175.3782 73 R 3.6485 8.1542 119.7311 55.2009 31.0819 175.7682 74 Q 4.3878 9.0395 119.5627 53.8830 31.4582 177.2299 75 G 3.6657 6.8114 103.9058 46.1506 0.0000 172.3071 76 T 4.0405 7.9916 120.3535 65.0805 67.5737 174.3506 77 G 4.0517 8.8187 116.4163 45.7363 0.0000 171.0578 78 I 4.4087 6.9143 121.0874 59.8653 38.4365 174.9195 79 W 4.6545 8.2904 126.8742 54.7601 32.4422 174.7795 80 Q 4.9908 8.8264 123.2554 54.9576 32.8378 172.5260 81 C 5.5588 9.4440 126.3502 57.3272 32.9283 174.5448 82 S 4.3813 9.0583 120.3309 59.9098 62.7257 174.0161 83 Y 3.9220 7.6477 121.3874 59.6866 38.7022 175.4167 84 C 4.4917 8.2416 113.2890 57.4845 30.6048 172.2915 85 D 4.4186 8.2819 123.8443 54.9175 36.7236 170.8113 86 Y 4.8161 8.7195 121.2592 55.6621 41.9077 173.8305 87 K 4.6547 8.6831 129.8162 55.3250 32.8517 175.2682 88 F 4.8094 8.2919 124.7644 55.1711 41.4036 174.0556 89 T 4.7834 8.6991 108.8398 60.2641 70.2174 173.5958 90 G 4.6922 8.2805 112.5830 43.4121 0.0000 171.5137 91 G 3.9551 8.1560 108.1246 45.6749 0.0000 174.7006 92 S 4.4667 8.5470 116.8542 61.0522 62.8661 175.3402 93 Y 5.1070 7.6580 115.0017 58.0607 39.8263 175.8447 94 K 4.4536 7.3869 118.9591 53.5354 34.3954 175.6876 95 P 2.9700 0.0000 0.0000 64.7070 31.4817 175.5025 96 E 4.6691 7.2315 116.0446 55.3517 33.6188 173.6824 97 T 4.7260 7.9208 107.1877 59.6021 71.8226 172.9163 98 P 4.2054 0.0000 0.0000 65.4915 31.4015 177.9687 99 G 3.8187 8.0430 105.7124 46.5870 0.0000 175.4910 100 G 3.5074 8.0377 109.0905 47.4312 0.0000 175.7400 101 K 4.2410 7.9279 118.3262 58.1767 32.6797 178.6381 102 T 4.1282 7.4268 115.3352 65.2475 68.9159 177.1586 103 V 3.7066 7.1379 119.9731 65.8978 31.8187 177.4390 104 R 4.0106 7.5617 118.3042 59.3979 29.3092 177.7894 105 R 3.6292 6.5611 111.9626 59.0812 30.7718 176.7045 106 S 4.3076 7.7017 118.1586 58.5878 63.1470 174.0921 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 34 S 8.19 4.41 0.00 3.94 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 35 S 7.60 4.06 0.00 4.00 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 36 G 7.81 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 37 R 7.76 4.08 0.00 2.02 2.12 0.00 2.85 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.26 0.00 38 F 8.23 5.12 0.00 3.27 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.78 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 40 A 8.52 4.35 1.25 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 0.00 0.00 0.00 41 R 7.00 4.19 0.00 0.75 0.90 0.00 2.91 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.33 0.00 42 Y 7.15 3.85 0.00 3.21 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 43 G 8.27 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 44 R 8.37 3.83 0.00 1.89 1.96 0.00 3.16 0.00 0.00 3.28 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 45 V 7.77 3.64 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.95 0.00 0.00 46 S 8.06 4.13 0.00 3.99 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 47 R 8.23 4.18 0.00 2.25 2.46 0.00 2.89 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.72 0.00 48 R 7.99 4.06 0.00 2.00 2.07 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 49 R 7.91 4.19 0.00 1.87 1.96 0.00 3.18 0.00 0.00 3.16 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 50 V 7.30 4.15 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 1.10 0.00 0.00 0.96 0.00 0.00 51 A 7.58 4.06 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 3.88 0.00 2.05 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 2.34 2.50 0.00 53 I 7.73 3.24 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.49 0.80 0.00 0.00 54 E 8.07 4.31 0.00 2.12 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 2.20 2.31 0.00 55 S 7.81 4.27 0.00 3.97 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 56 E 8.85 4.81 0.00 1.94 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 0.00 2.45 2.40 0.00 57 M 7.92 5.07 0.00 2.21 2.49 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.27 2.76 0.00 58 N 7.77 4.90 0.00 2.83 2.83 0.00 0.00 6.81 7.54 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 59 E 8.01 4.80 0.00 1.89 1.75 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 2.20 2.48 0.00 60 D 8.27 5.20 0.00 2.54 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 61 H 8.75 5.07 0.00 3.00 3.11 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.53 4.40 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 63 C 9.25 4.24 0.00 3.09 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 64 P 0.00 4.36 0.00 2.05 1.94 0.00 3.35 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 65 N 7.83 4.55 0.00 1.96 2.63 0.00 0.00 7.13 7.65 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 66 C 9.24 4.49 0.00 3.20 3.25 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 0.00 67 G 6.67 3.25 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 0.00 0.00 0.00 0.00 68 E 7.54 4.25 0.00 1.62 1.64 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 1.98 2.17 0.00 69 D 8.20 5.35 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.68 4.32 0.00 1.86 2.07 0.00 3.54 0.00 0.00 3.41 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.47 0.00 71 V 7.96 4.47 2.51 0.00 0.00 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 0.00 0.00 1.26 0.00 0.00 72 D 9.08 5.26 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.15 3.65 0.00 0.70 1.30 0.00 2.69 0.00 0.00 2.90 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.50 0.00 74 Q 9.04 4.39 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.09 2.26 0.00 75 G 6.81 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.99 4.04 4.20 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 1.17 0.00 0.00 77 G 8.82 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 0.00 0.00 0.00 78 I 6.91 4.41 1.69 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.98 0.76 0.00 0.00 79 W 8.29 4.65 0.00 2.31 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.83 4.99 0.00 1.95 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 81 C 9.44 5.56 0.00 3.45 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 82 S 9.06 4.38 0.00 4.08 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.65 3.92 0.00 2.98 2.99 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 84 C 8.24 4.49 0.00 3.09 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.28 4.42 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.72 4.82 0.00 3.10 3.05 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 87 K 8.68 4.65 0.00 1.75 1.63 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.22 1.31 7.81 88 F 8.29 4.81 0.00 3.09 2.54 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 0.00 0.00 0.00 0.00 89 T 8.70 4.78 4.28 0.00 0.00 0.00 0.00 0.00 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 90 G 8.28 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 8.16 3.96 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 0.00 0.00 0.00 92 S 8.55 4.47 0.00 2.87 3.31 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 93 Y 7.66 5.11 0.00 3.06 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 94 K 7.39 4.45 0.00 1.99 1.53 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.41 7.81 95 P 0.00 2.97 0.00 1.95 1.47 0.00 3.15 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.95 0.00 96 E 7.23 4.67 0.00 1.80 1.81 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 2.16 2.19 0.00 97 T 7.92 4.73 4.22 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 1.18 0.00 0.00 98 P 0.00 4.21 0.00 2.05 2.16 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 99 G 8.04 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 0.00 0.00 0.00 100 G 8.04 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.93 4.24 0.00 1.81 1.83 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.69 1.63 7.81 102 T 7.43 4.13 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 1.21 0.00 0.00 103 V 7.14 3.71 2.20 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 0.76 0.00 0.00 0.99 0.00 0.00 104 R 7.56 4.01 0.00 2.01 1.97 0.00 3.36 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 105 R 6.56 3.63 0.00 2.02 1.91 0.00 3.09 0.00 0.00 3.27 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 106 S 7.70 4.31 0.00 3.92 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