NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 81 P 4.3334 0.0000 0.0000 62.2030 33.1874 176.1000 82 L 3.8489 7.7316 120.9790 54.9401 43.1119 175.2747 83 K 4.3624 8.1434 128.0433 55.7685 31.2519 175.3074 84 N 4.9536 7.4674 115.3404 52.4939 39.9609 176.6899 85 L 4.0246 7.7529 119.0796 57.0088 41.7519 176.5953 86 V 3.9890 7.4084 118.0115 63.1167 30.2017 175.1115 87 L 4.4173 8.5277 126.6945 54.9828 42.2188 176.6375 88 D 4.5584 7.7110 116.4472 53.9520 44.5044 175.2010 89 I 5.0790 8.3427 125.7021 60.6057 40.9189 173.5976 90 D 5.1183 8.9730 125.0317 53.3613 45.4821 172.8608 91 Y 5.2902 8.3775 118.5649 55.8564 41.4876 173.4679 92 N 4.8639 8.0727 115.1261 51.7006 39.6701 173.6634 93 D 4.8036 8.5113 116.2810 54.1561 40.2323 176.6834 94 A 4.5904 8.4401 121.5218 54.1843 22.3609 177.3817 95 V 4.6243 7.4175 106.7930 59.7138 36.8191 174.2565 96 V 4.3464 8.8190 122.7826 62.1003 33.4186 175.1682 97 V 4.9043 8.7071 125.4918 61.4169 34.6150 174.1710 98 I 4.7975 8.8968 129.8163 60.9041 38.8867 174.8137 99 H 5.5196 9.4126 123.2590 54.3457 32.2662 172.7549 100 T 5.4853 8.8266 111.4811 59.6646 73.0783 172.5798 101 S 4.6504 8.9620 116.6803 57.6724 64.0081 172.0616 102 P 4.0229 0.0000 0.0000 63.4687 31.5309 174.6391 103 G 4.2829 9.1601 115.9817 46.5596 0.0000 175.6002 104 A 3.8920 8.4698 122.6606 55.8529 18.1936 181.3337 105 A 3.6368 7.0731 117.4691 54.3934 19.8705 179.4368 106 Q 3.9083 7.8167 115.0440 58.9718 28.6900 178.3172 107 L 3.9093 8.1871 120.2156 58.3103 42.3117 178.4457 108 I 3.8215 7.8609 118.6762 64.8379 37.0430 177.4076 109 A 3.9923 8.0261 120.7601 55.8112 16.6926 179.4654 110 R 4.2319 8.2530 117.1292 57.7147 30.0472 178.3967 111 L 4.1627 8.0786 120.2242 58.5451 42.2551 178.2610 112 L 3.9429 7.7755 118.5606 58.0017 41.2895 179.0109 113 D 4.3830 7.6165 118.0048 56.9462 40.5551 178.3488 114 S 4.2798 8.0718 112.7343 59.9689 62.5225 175.6898 115 L 4.0638 7.9811 121.9403 56.1539 41.8227 177.9209 116 G 3.9125 7.5044 108.9315 43.9713 0.0000 174.1915 117 K 4.1474 8.7335 116.3727 59.1167 32.2269 178.9383 118 A 4.0180 8.1815 119.8433 55.5765 18.1063 178.1718 119 E 4.2010 7.9544 111.7666 56.5641 29.7522 177.3189 120 G 2.0158 8.7414 109.2899 44.3119 0.0000 173.0265 121 I 4.3891 7.2082 120.9237 59.2452 38.7870 176.0632 122 L 4.0476 8.8317 128.7502 57.8108 42.8396 176.1824 123 G 4.1172 7.5301 103.1138 47.3366 0.0000 172.1415 124 T 4.9957 8.3944 113.2744 63.0239 72.5851 173.6244 125 I 4.7380 8.9019 124.8335 60.1896 42.0783 174.2834 126 A 5.0267 7.7651 127.2785 50.1994 24.1236 174.9366 127 G 3.9580 8.6295 115.5120 46.0008 0.0000 174.4967 128 D 4.4315 8.7633 124.8001 54.9307 40.7650 178.4582 129 D 4.7351 7.5804 118.8645 51.4066 39.1027 174.3031 130 T 5.0666 7.9644 108.1293 61.2246 72.8234 172.7562 131 I 5.0118 9.0701 124.9695 59.7048 40.8137 174.2257 132 F 5.4524 9.4263 126.3303 56.4279 41.5418 175.1674 133 T 4.8789 8.6134 117.1318 61.3080 70.9065 172.0667 134 T 4.8617 8.2156 122.4324 59.5461 70.0318 171.7774 135 P 4.9227 0.0000 0.0000 62.3997 32.3648 176.0999 136 A 4.3011 9.1172 126.1317 51.3112 19.6710 176.8396 137 N 4.3693 8.8155 119.4655 55.4646 39.4247 175.2651 138 G 3.9491 9.3168 111.9081 45.0144 0.0000 173.2071 139 F 4.5855 7.6726 117.4397 55.5151 42.2894 174.5826 140 T 4.5980 8.4050 114.1713 60.1956 70.7014 175.9236 141 V 3.6525 8.6162 117.0912 64.8399 31.4232 178.7348 142 K 3.5941 8.2209 118.5935 59.6490 30.7007 178.2708 143 D 4.5517 8.7371 118.5310 56.2006 40.6620 178.1173 144 L 4.1853 7.4973 121.4945 57.4084 42.3400 177.3611 145 Y 3.8090 8.0705 119.9487 61.0912 38.3415 178.4702 146 E 3.8127 7.8316 116.6411 58.7299 29.8271 178.7332 147 A 4.1424 7.1612 120.8047 54.6568 18.8458 179.6863 148 I 3.2601 7.8677 118.6725 64.3153 36.9190 178.6014 149 L 4.0315 7.4028 118.7944 57.1318 41.3907 177.7368 150 E 4.5178 7.4609 117.4291 56.0049 30.7761 176.6656 151 L 4.6776 7.5375 119.0705 56.6287 47.8070 175.2565 152 F 4.5613 8.5566 120.8641 57.8096 38.8864 175.3700 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 81 P 0.00 4.33 0.00 2.17 2.19 0.00 3.71 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 1.86 1.94 0.00 82 L 7.73 3.85 0.00 1.76 1.88 0.90 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.14 4.36 0.00 1.57 1.58 0.00 0.62 0.00 0.00 1.37 0.00 0.00 2.72 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.88 0.98 7.81 84 N 7.47 4.95 0.00 2.79 2.83 0.00 0.00 6.38 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 85 L 7.75 4.02 0.00 1.65 1.70 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.41 3.99 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 0.90 0.00 0.00 0.47 0.00 0.00 87 L 8.53 4.42 0.00 1.73 1.72 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.71 4.56 0.00 2.71 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 89 I 8.34 5.08 2.07 0.00 0.00 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 1.29 0.79 1.10 0.00 0.00 90 D 8.97 5.12 0.00 2.87 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.38 5.29 0.00 2.98 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 92 N 8.07 4.86 0.00 2.74 2.73 0.00 0.00 6.95 7.94 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 93 D 8.51 4.80 0.00 2.77 2.76 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 94 A 8.44 4.59 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 95 V 7.42 4.62 1.78 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 0.76 0.00 0.00 0.23 0.00 0.00 96 V 8.82 4.35 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 0.99 0.00 0.00 0.94 0.00 0.00 97 V 8.71 4.90 2.18 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 1.15 0.00 0.00 0.83 0.00 0.00 98 I 8.90 4.80 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.81 1.14 0.00 0.00 99 H 9.41 5.52 0.00 3.07 3.20 0.00 5.56 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.83 5.49 4.32 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 1.23 0.00 0.00 101 S 8.96 4.65 0.00 3.92 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 0.00 102 P 0.00 4.02 0.00 2.06 2.05 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 103 G 9.16 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 0.00 0.00 0.00 0.00 104 A 8.47 3.89 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 0.00 105 A 7.07 3.64 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 0.00 106 Q 7.82 3.91 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 107 L 8.19 3.91 0.00 1.64 1.69 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.86 3.82 1.91 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.68 1.09 0.00 0.00 109 A 8.03 3.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.25 4.23 0.00 2.04 1.96 0.00 3.13 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 111 L 8.08 4.16 0.00 1.85 1.86 1.04 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.78 3.94 0.00 1.98 1.69 0.90 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.62 4.38 0.00 3.02 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 0.00 114 S 8.07 4.28 0.00 3.95 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 0.00 115 L 7.98 4.06 0.00 1.68 1.58 0.77 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.50 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 0.00 0.00 0.00 117 K 8.73 4.15 0.00 1.80 1.94 0.00 2.02 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.40 7.81 118 A 8.18 4.02 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 0.00 119 E 7.95 4.20 0.00 2.05 1.86 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 2.27 2.26 0.00 120 G 8.74 2.02 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 0.00 0.00 0.00 121 I 7.21 4.39 1.73 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.20 0.91 0.00 0.00 122 L 8.83 4.05 0.00 1.63 1.76 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 123 G 7.53 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 0.00 0.00 0.00 0.00 124 T 8.39 5.00 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 1.30 0.00 0.00 125 I 8.90 4.74 1.93 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 1.19 0.81 0.84 0.00 0.00 126 A 7.77 5.03 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 0.00 127 G 8.63 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 0.00 128 D 8.76 4.43 0.00 2.82 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 0.00 129 D 7.58 4.74 0.00 2.84 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 0.00 130 T 7.96 5.07 4.17 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 1.07 0.00 0.00 131 I 9.07 5.01 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.82 0.98 0.00 0.00 132 F 9.43 5.45 0.00 3.00 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 0.00 133 T 8.61 4.88 4.26 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 1.18 0.00 0.00 134 T 8.22 4.86 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 1.23 0.00 0.00 135 P 0.00 4.92 0.00 2.06 2.06 0.00 3.75 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 2.14 2.10 0.00 136 A 9.12 4.30 1.28 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 0.00 0.00 0.00 137 N 8.82 4.37 0.00 2.71 2.79 0.00 0.00 7.35 7.98 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 0.00 138 G 9.32 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 0.00 139 F 7.67 4.59 0.00 3.31 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 0.00 140 T 8.41 4.60 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 141 V 8.62 3.65 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.29 0.00 0.00 142 K 8.22 3.59 0.00 1.96 1.88 0.00 1.86 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.73 1.67 7.81 143 D 8.74 4.55 0.00 3.17 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 0.00 144 L 7.50 4.19 0.00 1.65 1.71 0.70 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.07 3.81 0.00 2.18 2.65 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 0.00 146 E 7.83 3.81 0.00 1.96 1.98 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 2.40 2.43 0.00 147 A 7.16 4.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.87 3.26 1.45 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.24 -0.03 0.00 0.00 149 L 7.40 4.03 0.00 1.30 1.55 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 150 E 7.46 4.52 0.00 2.07 1.90 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 2.27 2.47 0.00 151 L 7.54 4.68 0.00 1.43 1.69 0.94 0.78 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 0.00 152 F 8.56 4.56 0.00 2.95 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