NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 74 D 4.5419 8.3644 120.1909 54.1172 42.4105 174.8738 75 T 3.9456 8.1832 119.3589 60.5077 68.2763 172.8390 76 D 4.4542 9.3077 127.2426 54.1611 43.1154 176.5450 77 Q 3.9861 8.8956 126.5522 59.2272 28.6427 178.9811 78 L 4.0313 7.8437 120.6649 57.9751 42.2396 178.4243 79 E 3.9824 7.9650 117.1994 59.5510 29.5335 179.0570 80 D 4.3812 8.3254 118.8362 57.6310 40.8439 179.0780 81 L 4.2549 7.8472 118.8738 57.7207 41.4300 179.8342 82 R 4.0503 8.3410 118.7314 59.0850 29.8410 178.5110 83 E 4.0848 8.3736 118.3638 58.9132 29.9777 178.2108 84 H 4.3054 8.1468 118.2555 59.3976 30.1378 177.0977 85 F 4.3393 8.0821 118.3160 59.3219 38.5447 177.7824 86 K 4.2316 7.9428 118.1272 58.3474 32.8960 177.9147 87 N 4.9359 7.8070 118.0731 51.4321 36.8771 173.8601 88 T 4.7752 6.7923 109.9048 58.8554 73.0745 174.8882 89 E 3.8316 8.9492 121.3788 59.8519 29.3100 179.7298 90 E 3.8377 8.0687 117.9145 59.0967 29.5596 179.3177 91 G 3.8627 7.4337 106.7538 47.4425 0.0000 175.9513 92 K 4.0799 8.8916 122.2682 58.7688 31.8667 179.4171 93 A 3.9556 8.0939 121.2877 54.8925 18.2162 179.7253 94 L 3.8873 7.6672 117.5989 57.9485 41.8212 180.0455 95 V 3.8647 8.2723 112.5947 64.1554 31.3205 178.2095 96 H 4.1263 8.1067 118.0772 59.7693 29.8193 177.0716 97 H 4.2540 8.0040 118.1164 59.0313 28.4204 177.2645 98 Y 4.2818 8.1775 121.5522 60.5079 38.6205 177.6107 99 E 3.6143 8.2690 120.4854 58.9266 29.8041 178.0374 100 E 3.8106 8.6555 119.8429 59.5587 29.6717 178.2129 101 C 4.1641 8.1009 117.9110 59.6062 40.8124 175.1305 102 A 3.7441 7.8348 122.8001 55.0926 17.5158 179.2019 103 E 3.7987 8.5228 117.8516 59.5603 29.6270 178.9556 104 R 3.9399 7.5944 117.1740 59.1995 30.1149 178.4405 105 V 3.7102 7.4635 117.8541 65.7011 32.0915 178.0404 106 K 3.8926 7.6097 117.6387 59.2262 32.0220 178.6117 107 I 3.6836 7.0735 119.3656 63.9236 37.3465 177.6486 108 Q 4.1463 8.0980 119.3419 58.6623 28.4043 178.2165 109 Q 3.4274 7.5511 117.1139 57.7007 28.9554 176.8253 110 Q 4.2578 7.0500 114.0277 56.7398 29.4766 176.2167 111 Q 4.1454 7.3081 116.6719 54.8830 29.1519 175.2672 112 P 4.2882 0.0000 0.0000 64.0525 30.2252 175.3072 113 G 3.6300 8.5032 116.8515 46.6349 0.0000 171.6089 114 Y 4.1992 7.7840 119.4893 60.3314 39.8097 176.2412 115 A 4.0253 8.2537 121.8070 54.3627 18.4311 176.4789 116 D 4.7861 7.4712 113.7595 52.5544 41.3979 174.7644 117 L 4.5311 8.0597 122.5239 53.5555 46.0848 175.4421 118 E 3.7948 8.2028 114.8123 56.8569 28.4187 175.1130 119 H 4.4620 7.8647 112.1700 57.6385 31.2419 172.9521 120 K 3.8576 8.1596 117.6514 56.4593 32.0919 176.0732 121 E 4.3935 8.7675 124.9713 55.1836 30.6309 174.4551 122 D 5.1155 8.3523 122.9242 52.0365 42.8281 175.5478 123 C 5.9483 8.2773 113.5205 55.9439 38.5904 177.1830 124 V 3.4947 8.0959 121.3211 65.7950 31.1801 176.2439 125 E 3.8155 8.0517 118.6382 59.5504 29.6133 178.5748 126 E 4.1229 8.3037 118.0139 59.3467 29.5792 179.0662 127 F 3.8301 8.7143 121.1850 61.2454 39.4822 177.2387 128 F 4.3378 9.1137 117.9480 60.8633 38.6958 177.3202 129 H 4.1615 8.5757 115.8922 58.7262 28.6309 177.5904 130 L 3.9308 7.7245 121.5133 58.3615 42.0202 178.7433 131 Q 3.7222 8.0687 119.7916 59.1802 28.6777 178.0138 132 H 3.9544 8.5495 119.6817 59.3178 30.0733 176.2987 133 Y 4.0790 7.9826 121.3439 60.9165 38.4967 178.3337 134 L 3.4294 7.6899 119.2001 57.6172 41.6283 179.1237 135 D 4.1388 7.6080 118.6237 57.8532 40.5855 179.0312 136 T 3.5990 7.5492 114.5429 66.3867 68.3921 176.2448 137 A 3.6089 6.9043 121.8168 54.9990 18.6967 179.5153 138 T 3.8147 7.9820 108.1499 64.1819 67.3996 176.4164 139 A 3.8158 7.9099 124.3599 54.9781 18.1360 177.9003 140 P 4.3022 0.0000 0.0000 65.1996 31.7352 178.4610 141 R 4.1552 7.4390 116.6960 59.2945 30.3771 178.1770 142 L 3.8299 8.0317 119.9209 58.6481 42.3503 179.0824 143 F 4.4210 8.5415 117.0875 60.4575 38.6862 176.8538 144 D 4.6255 8.1726 117.0863 55.7304 40.7837 176.8808 145 K 4.4277 8.2274 117.8158 55.9947 32.9589 175.9599 146 L 4.6817 7.3345 118.3443 52.6616 44.2905 176.4176 147 K 4.0809 8.2987 120.1711 56.6476 32.1494 176.2779 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 74 D 8.36 4.54 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.18 3.95 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 1.28 0.00 0.00 76 D 9.31 4.45 0.00 2.84 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.90 3.99 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.71 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 78 L 7.84 4.03 0.00 1.79 1.84 0.92 1.01 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 79 E 7.97 3.98 0.00 2.29 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 2.49 2.53 0.00 80 D 8.33 4.38 0.00 2.93 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 81 L 7.85 4.25 0.00 1.87 1.86 1.02 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.34 4.05 0.00 2.08 2.00 0.00 3.13 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 83 E 8.37 4.08 0.00 2.13 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 2.35 2.39 0.00 84 H 8.15 4.31 0.00 3.24 3.39 0.00 5.83 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 85 F 8.08 4.34 0.00 3.03 3.04 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 86 K 7.94 4.23 0.00 2.00 1.94 0.00 1.85 0.00 0.00 2.07 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.56 7.81 87 N 7.81 4.94 0.00 3.00 2.81 0.00 0.00 6.77 7.06 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 88 T 6.79 4.78 4.43 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 1.17 0.00 0.00 89 E 8.95 3.83 0.00 1.99 2.03 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 2.40 2.35 0.00 90 E 8.07 3.84 0.00 1.49 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 2.36 2.35 0.00 91 G 7.43 3.86 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 0.00 0.00 0.00 92 K 8.89 4.08 0.00 1.75 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.80 7.81 93 A 8.09 3.96 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 94 L 7.67 3.89 0.00 1.94 1.69 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.27 3.86 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 0.90 0.00 0.00 1.06 0.00 0.00 96 H 8.11 4.13 0.00 3.38 3.45 0.00 5.59 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 97 H 8.00 4.25 0.00 3.20 3.36 0.00 5.67 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 98 Y 8.18 4.28 0.00 3.17 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 99 E 8.27 3.61 0.00 2.34 1.82 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 2.26 2.25 0.00 100 E 8.66 3.81 0.00 1.97 2.06 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 2.27 2.29 0.00 101 C 8.10 4.16 0.00 3.15 3.19 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 0.00 102 A 7.83 3.74 0.94 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 0.00 103 E 8.52 3.80 0.00 2.00 2.06 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 2.26 2.26 0.00 104 R 7.59 3.94 0.00 1.92 2.10 0.00 3.31 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 105 V 7.46 3.71 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 1.02 0.00 0.00 1.01 0.00 0.00 106 K 7.61 3.89 0.00 1.93 1.98 0.00 1.31 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.42 7.81 107 I 7.07 3.68 1.99 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 1.48 0.65 0.88 0.00 0.00 108 Q 8.10 4.15 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 109 Q 7.55 3.43 0.00 1.75 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.96 0.00 0.00 0.00 0.00 0.00 1.16 1.86 0.00 110 Q 7.05 4.26 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 111 Q 7.31 4.15 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.19 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 112 P 0.00 4.29 0.00 2.19 2.12 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 113 G 8.50 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.78 4.20 0.00 3.01 3.01 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 0.00 0.00 0.00 115 A 8.25 4.03 1.32 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 0.00 0.00 116 D 7.47 4.79 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 0.00 117 L 8.06 4.53 0.00 1.40 1.43 0.91 1.06 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 0.00 118 E 8.20 3.79 0.00 2.17 2.00 0.00 0.00 0.00 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 2.27 0.00 119 H 7.86 4.46 0.00 3.23 3.22 0.00 5.75 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.16 3.86 0.00 1.72 1.76 0.00 1.61 0.00 0.00 0.91 0.00 0.00 2.58 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.73 1.18 7.81 121 E 8.77 4.39 0.00 1.97 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 2.29 2.31 0.00 122 D 8.35 5.12 0.00 2.78 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 C 8.28 5.95 0.00 3.27 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.10 3.49 1.82 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 0.44 0.00 0.00 0.97 0.00 0.00 125 E 8.05 3.82 0.00 2.06 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 2.50 2.49 0.00 126 E 8.30 4.12 0.00 2.53 2.24 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 2.50 2.49 0.00 127 F 8.71 3.83 0.00 3.09 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 0.00 128 F 9.11 4.34 0.00 3.25 3.07 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 0.00 129 H 8.58 4.16 0.00 3.48 3.42 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.72 3.93 0.00 1.77 1.52 0.76 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.07 3.72 0.00 1.55 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.60 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 132 H 8.55 3.95 0.00 3.30 3.45 0.00 5.86 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 0.00 133 Y 7.98 4.08 0.00 3.11 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 0.00 134 L 7.69 3.43 0.00 1.77 1.54 0.87 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 135 D 7.61 4.14 0.00 2.68 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 0.00 136 T 7.55 3.60 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 1.09 0.00 0.00 137 A 6.90 3.61 -0.03 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 0.00 0.00 138 T 7.98 3.81 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 1.10 0.00 0.00 139 A 7.91 3.82 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.18 2.11 0.00 3.61 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 141 R 7.44 4.16 0.00 1.97 2.04 0.00 3.32 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 142 L 8.03 3.83 0.00 1.86 1.74 0.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.54 4.42 0.00 3.04 3.08 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 0.00 144 D 8.17 4.63 0.00 2.89 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 0.00 145 K 8.23 4.43 0.00 1.83 1.84 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.57 7.81 146 L 7.33 4.68 0.00 1.38 1.33 0.63 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.30 4.08 0.00 1.64 1.62 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.43 7.81