NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3752 8.1849 120.6309 54.5064 43.9386 175.9305 5 T 4.5339 7.3200 114.6322 61.6801 73.3219 170.8140 6 K 4.7533 8.6403 123.2776 54.9083 34.5904 175.8228 7 V 4.2000 7.8212 124.3271 60.4919 34.2833 174.7601 8 K 4.1716 8.8737 127.0854 57.6518 32.0031 176.0697 9 L 4.7350 8.9239 124.5954 55.8022 44.7137 175.8736 10 C 4.7658 7.4419 111.4115 58.1495 31.3211 171.9823 11 Q 4.6848 7.6033 118.0735 54.3297 29.6579 176.8970 12 L 3.6502 9.1593 126.0609 58.2956 42.0526 178.5799 13 D 4.4432 7.9086 113.4965 54.6811 39.0733 176.1605 14 D 4.6204 7.9096 119.5190 54.9853 41.9771 176.7024 15 L 4.5714 7.4454 120.9259 52.9196 43.3997 173.5455 *17 P 4.0329 0.0000 0.0000 64.4768 32.3435 177.7556 18 F 3.9811 8.6633 119.1433 58.1396 38.2119 175.1053 19 I 4.5233 7.6586 121.8303 59.3125 38.4712 175.6474 20 G 2.9576 8.4727 112.4600 45.5959 0.0000 172.5803 21 A 4.9444 8.2181 124.1988 49.9142 22.7506 175.0480 22 T 4.9408 8.2371 109.5499 60.6368 71.0791 174.1882 23 V 4.4224 8.2929 115.4035 60.3182 37.0554 173.2018 24 L 4.8212 8.2479 121.9543 53.3159 43.7125 176.8431 25 I 3.7514 8.1582 126.4503 60.0272 37.0261 175.4421 26 E 3.9156 9.5326 128.1402 57.1726 26.6567 175.3821 27 G 4.1288 7.9744 106.3926 45.6584 0.0000 172.9015 28 E 4.0977 7.6543 119.2271 55.7061 30.3287 175.7599 29 R 4.2087 8.4661 123.8749 56.1333 31.0436 175.1820 30 V 4.7286 8.3940 125.9664 60.8802 35.5049 174.3576 31 A 4.8061 9.2376 125.4043 50.1958 21.8657 175.4969 32 L 4.7042 8.5569 122.6344 55.1649 43.6656 176.8106 33 F 4.7376 9.5193 121.0260 55.8223 42.6518 173.7332 34 Y 4.7158 8.7115 126.6960 57.3444 39.7250 174.3044 35 I 3.3224 7.9074 129.2253 59.5645 37.4883 176.4769 36 P 2.9700 0.0000 0.0000 63.8730 32.3835 176.1140 37 D 4.8511 7.6281 117.4713 53.6187 39.7360 177.2779 38 S 4.4884 8.5286 114.6389 57.5248 65.2396 173.4644 39 G 3.7049 8.1280 105.4961 44.3179 0.0000 172.0444 40 V 4.5950 7.7454 111.3431 59.9744 33.3355 175.5710 41 Y 5.0529 8.8809 122.4402 56.3825 40.6439 174.3777 42 A 5.2331 8.8679 124.3348 50.3481 21.7893 175.5391 43 V 5.2880 8.6309 121.6063 60.8286 35.7629 174.5543 44 Q 4.7448 8.8433 123.9287 56.8375 29.0349 175.9992 45 D 4.6370 9.3304 120.8373 55.4557 42.6419 175.2572 46 W 4.7073 8.3352 128.7072 57.1038 31.4371 175.4457 47 D 4.3212 8.3821 129.1266 52.7942 40.2196 174.9670 48 P 3.9174 0.0000 0.0000 65.3416 31.6646 178.0232 49 I 3.9453 7.7577 119.5669 63.5370 37.3980 177.3057 50 G 3.5845 8.0284 106.7195 45.5092 0.0000 173.1582 51 K 2.6117 8.5108 118.4595 55.6700 29.2635 175.0146 52 A 3.8235 5.8000 119.1333 51.3025 22.1303 176.0961 53 Y 5.1580 8.1697 119.2435 57.3037 36.4666 175.2939 54 V 4.2863 8.2037 122.9029 59.2991 31.4996 177.0847 *56 S 4.3624 8.0935 119.5378 58.6070 64.8564 175.4005 57 R 4.4298 8.1272 119.3417 56.1108 30.5070 176.4393 58 G 4.0375 7.9048 105.2623 45.7653 0.0000 172.9067 59 I 4.6697 8.2479 120.3652 59.7557 39.5062 175.2146 60 V 4.8441 8.5067 119.3238 59.7875 33.4295 175.2344 61 G 4.2207 8.6188 111.5580 44.9136 0.0000 170.9686 62 D 4.9289 8.5365 119.1987 52.8356 42.1727 175.7578 63 I 4.2836 8.1281 126.3816 60.0891 39.9056 174.4269 64 N 4.1661 9.9175 125.9414 54.2483 36.9213 172.3441 65 G 4.4255 8.2102 110.2380 45.7191 0.0000 172.1717 66 E 4.2825 7.3104 123.9142 55.8561 30.1567 175.1173 *68 C 4.6347 8.3507 117.2353 59.1620 31.6920 173.4247 69 V 4.7381 8.1983 119.0004 59.9842 33.5509 174.2612 70 A 5.5658 8.2437 124.5551 49.1235 21.2701 175.9164 71 S 4.3290 9.0243 117.6455 58.3764 62.9285 173.5231 72 P 4.3515 0.0000 0.0000 64.4277 30.8491 176.7301 73 L 3.8645 6.9378 119.1157 54.7477 41.7411 176.2497 74 Y 4.8419 7.4121 113.7800 57.9371 38.9078 176.9918 75 K 4.0707 7.9352 116.0599 57.1932 30.8980 175.7296 76 Q 4.2072 7.5984 116.9524 56.5364 30.2367 175.2385 77 H 5.0277 8.4826 117.4209 54.3986 31.5497 172.9116 78 F 4.9601 9.0666 123.1275 55.7868 41.2193 175.5896 79 S 4.6867 8.7256 118.1769 57.8277 63.5361 173.5856 80 L 4.2846 8.2723 125.7411 54.8408 42.8644 176.3498 81 K 3.7801 8.2606 119.9413 56.5325 30.2690 174.0002 82 S 4.6085 8.0717 123.6110 59.4730 65.2474 177.9854 83 G 4.3292 8.0993 108.2619 46.2454 0.0000 173.0193 84 Q 4.3730 7.7942 121.6468 56.7426 30.0274 175.7422 85 C 4.2789 8.0895 125.7682 58.6745 32.8231 173.3574 86 L 4.7386 8.1321 121.0895 50.5368 39.8413 176.6279 87 E 5.9800 7.4073 132.7243 57.0106 30.3272 176.5131 88 D 4.7428 7.5048 117.6695 52.2887 44.5262 174.9267 89 E 3.8850 9.0116 124.8107 58.8451 29.8602 176.6966 90 A 4.1571 7.6559 120.4454 51.4877 19.7722 173.4189 91 H 4.1208 8.7017 120.0237 56.1187 26.3356 173.9030 92 C 5.2434 8.3713 122.8544 57.3745 34.6694 173.2376 93 L 4.4910 8.9674 127.5149 54.0177 42.5297 176.4747 94 K 4.1969 9.8196 126.0921 56.8553 33.2332 175.6200 95 T 5.3062 7.9813 115.2548 59.7597 72.1098 172.8145 96 W 4.8136 8.8500 121.8270 54.8002 32.4912 175.3038 97 R 4.3232 8.8184 124.4324 56.1882 30.5594 175.1355 98 V 5.0503 8.5950 126.1086 61.6617 34.1399 174.7433 99 T 4.7945 9.4713 122.1294 61.7594 72.5549 173.0519 100 V 4.6941 8.4591 124.0659 62.4487 34.4823 172.7921 101 D 4.5917 8.5380 123.3634 54.7313 40.7613 177.0460 102 D 4.4796 9.0599 125.6428 56.8139 42.3996 176.2489 103 N 4.8193 7.6588 112.8855 53.0946 38.8615 172.2956 104 Q 4.7083 8.2172 121.9328 55.4174 30.7821 174.0869 105 V 4.6013 8.6566 127.8998 62.0870 33.2802 174.5402 106 C 5.8156 9.4357 124.3098 57.5105 32.9847 172.7998 107 Y 5.1065 8.4678 119.0856 55.8310 40.9822 174.5626 108 L 5.5649 8.7966 120.2088 52.2146 42.3575 176.8672 109 A 4.4047 8.2211 124.7915 52.0894 18.0279 177.0087 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 4 L 8.18 4.38 0.00 1.66 1.79 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.32 4.53 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 1.14 0.00 0.00 6 K 8.64 4.75 0.00 1.57 1.66 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.38 7.81 7 V 7.82 4.20 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 0.92 0.00 0.00 0.53 0.00 0.00 8 K 8.87 4.17 0.00 1.66 1.75 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 9 L 8.92 4.73 0.00 1.68 1.76 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 C 7.44 4.77 0.00 3.06 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 11 Q 7.60 4.68 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 12 L 9.16 3.65 0.00 1.47 1.59 -0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.91 4.44 0.00 2.78 2.71 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 14 D 7.91 4.62 0.00 2.77 2.69 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 15 L 7.45 4.57 0.00 1.49 1.58 0.79 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 *17 P 0.00 4.03 0.00 2.32 1.73 0.00 3.85 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00 18 F 8.66 3.98 0.00 3.26 3.26 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 0.00 19 I 7.66 4.52 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.84 0.92 0.00 0.00 20 G 8.47 2.96 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 21 A 8.22 4.94 1.09 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 0.00 0.00 22 T 8.24 4.94 4.13 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 1.19 0.00 0.00 23 V 8.29 4.42 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 0.56 0.00 0.00 0.72 0.00 0.00 24 L 8.25 4.82 0.00 1.38 1.46 0.81 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.16 3.75 1.23 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.49 -0.09 0.00 0.00 26 E 9.53 3.92 0.00 2.09 1.99 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 2.29 2.38 0.00 27 G 7.97 4.13 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 0.00 0.00 0.00 28 E 7.65 4.10 0.00 2.26 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 2.40 2.32 0.00 29 R 8.47 4.21 0.00 1.68 1.89 0.00 2.21 0.00 0.00 2.41 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.36 0.00 30 V 8.39 4.73 1.58 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 0.44 0.00 0.00 -0.41 0.00 0.00 31 A 9.24 4.81 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.56 4.70 0.00 1.52 1.56 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.52 4.74 0.00 3.11 3.06 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 34 Y 8.71 4.72 0.00 2.91 2.77 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 35 I 7.91 3.32 1.83 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.36 0.89 0.00 0.00 36 P 0.00 2.97 0.00 1.84 1.72 0.00 2.46 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.26 0.00 37 D 7.63 4.85 0.00 2.77 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 38 S 8.53 4.49 0.00 3.87 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 39 G 8.13 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 0.00 0.00 0.00 40 V 7.75 4.60 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 0.73 0.00 0.00 0.89 0.00 0.00 41 Y 8.88 5.05 0.00 3.05 2.94 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 42 A 8.87 5.23 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 43 V 8.63 5.29 2.32 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 1.08 0.00 0.00 1.07 0.00 0.00 44 Q 8.84 4.74 0.00 2.36 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 45 D 9.33 4.64 0.00 2.87 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 46 W 8.34 4.71 0.00 3.55 3.06 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 47 D 8.38 4.32 0.00 2.60 2.25 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 48 P 0.00 3.92 0.00 2.35 2.34 0.00 3.50 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 49 I 7.76 3.95 2.14 0.00 0.00 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 1.00 0.56 1.03 0.00 0.00 50 G 8.03 3.58 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 0.00 0.00 0.00 51 K 8.51 2.61 0.00 1.74 1.88 0.00 2.08 0.00 0.00 1.86 0.00 0.00 3.22 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.58 7.81 52 A 5.80 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.17 5.16 0.00 3.10 3.18 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 0.00 0.00 0.00 0.00 54 V 8.20 4.29 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 0.63 0.00 0.00 0.89 0.00 0.00 *56 S 8.09 4.36 0.00 3.86 4.18 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 0.00 0.00 0.00 0.00 57 R 8.13 4.43 0.00 1.96 2.02 0.00 3.33 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 58 G 7.90 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 59 I 8.25 4.67 1.88 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 1.38 0.63 0.92 0.00 0.00 60 V 8.51 4.84 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 0.67 0.00 0.00 1.30 0.00 0.00 61 G 8.62 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 0.00 0.00 0.00 0.00 62 D 8.54 4.93 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.13 4.28 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.01 0.90 0.00 0.00 64 N 9.92 4.17 0.00 2.77 2.77 0.00 0.00 7.36 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 65 G 8.21 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 0.00 0.00 0.00 0.00 66 E 7.31 4.28 0.00 2.07 1.76 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 2.27 2.22 0.00 *68 C 8.35 4.63 0.00 3.20 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 69 V 8.20 4.74 1.39 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 0.50 0.00 0.00 0.93 0.00 0.00 70 A 8.24 5.57 1.16 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 0.00 0.00 71 S 9.02 4.33 0.00 4.05 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 72 P 0.00 4.35 0.00 2.03 2.08 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 73 L 6.94 3.86 0.00 1.32 0.42 0.64 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 7.41 4.84 0.00 3.25 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 75 K 7.94 4.07 0.00 1.93 1.95 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.58 7.81 76 Q 7.60 4.21 0.00 2.12 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 77 H 8.48 5.03 0.00 2.94 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 9.07 4.96 0.00 2.91 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 79 S 8.73 4.69 0.00 3.89 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 80 L 8.27 4.28 0.00 0.95 1.23 0.87 0.67 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 81 K 8.26 3.78 0.00 1.39 1.62 0.00 1.95 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.58 7.81 82 S 8.07 4.61 0.00 3.82 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 83 G 8.10 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 7.79 4.37 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 85 C 8.09 4.28 0.00 3.12 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 86 L 8.13 4.74 0.00 1.55 1.46 0.90 0.89 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 87 E 7.41 5.98 0.00 1.89 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 2.00 2.08 0.00 88 D 7.50 4.74 0.00 2.71 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 89 E 9.01 3.89 0.00 1.88 1.96 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 2.28 2.36 0.00 90 A 7.66 4.16 1.12 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 91 H 8.70 4.12 0.00 3.47 3.57 0.00 5.57 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.37 5.24 0.00 3.06 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.97 4.49 0.00 1.65 1.59 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.82 4.20 0.00 1.74 1.67 0.00 1.41 0.00 0.00 1.52 0.00 0.00 2.23 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 0.90 7.81 95 T 7.98 5.31 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 96 W 8.85 4.81 0.00 3.23 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 97 R 8.82 4.32 0.00 2.03 1.92 0.00 3.30 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 98 V 8.60 5.05 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 0.97 0.00 0.00 1.15 0.00 0.00 99 T 9.47 4.79 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 1.21 0.00 0.00 100 V 8.46 4.69 2.05 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 0.76 0.00 0.00 0.87 0.00 0.00 101 D 8.54 4.59 0.00 2.64 2.14 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 0.00 102 D 9.06 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 0.00 103 N 7.66 4.82 0.00 2.67 2.88 0.00 0.00 5.57 7.44 0.00 0.00 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 Q 8.22 4.71 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 105 V 8.66 4.60 2.15 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 0.96 0.00 0.00 0.88 0.00 0.00 106 C 9.44 5.82 0.00 2.80 2.79 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 0.00 107 Y 8.47 5.11 0.00 3.13 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 0.00 108 L 8.80 5.56 0.00 1.65 1.80 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.22 4.40 1.19 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.