NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5903 8.3493 120.3208 53.5050 40.6431 174.2257 2 C 4.5671 8.4030 113.9282 52.0443 42.6959 171.6601 3 P 4.8660 0.0000 0.0000 61.9245 32.6743 176.7107 4 P 4.4189 0.0000 0.0000 64.8525 31.7855 176.5637 5 D 5.7458 7.1240 132.3737 54.6689 43.4464 175.2217 6 S 4.8068 7.6143 111.6317 56.8831 66.7741 172.4018 7 S 4.9969 8.9216 114.8826 57.0090 65.3880 173.2874 8 L 5.2401 8.6051 124.6333 53.7381 43.9847 175.3471 9 Y 4.0461 8.8959 126.7570 56.7039 40.9319 174.3173 10 R 3.0038 8.8849 125.5465 57.1486 27.0494 176.2085 11 Y 4.0482 7.7297 113.6806 57.6560 37.0531 169.3538 12 F 5.2335 7.9604 117.0515 55.7145 43.4030 173.3459 13 C 5.8693 9.5454 118.0237 55.6336 43.7977 172.8004 14 Y 5.1094 9.8346 121.8994 56.6191 39.4462 174.6348 15 R 4.7519 8.6570 125.5250 54.5554 32.6550 175.0831 16 V 4.2885 7.8754 124.5477 61.1969 32.2121 174.5132 17 F 4.5996 8.3563 126.9073 55.5670 41.2184 176.3805 18 K 4.5160 8.5355 121.7302 56.1548 32.2365 174.9064 19 E 4.5306 8.0070 118.5391 54.8993 30.5624 175.2005 20 H 4.7617 9.0096 124.7846 55.8071 29.4566 174.7053 21 K 4.8667 9.1071 122.3339 54.6018 37.1508 176.1500 22 T 5.3221 8.2257 110.5071 60.0064 70.4045 175.4576 23 W 2.6486 8.3234 132.3428 60.3198 30.3641 177.5642 24 E 3.9733 8.4469 118.1484 59.4474 28.9144 178.5599 25 A 3.7906 7.8467 120.1024 55.1343 18.4041 178.9793 26 A 2.7991 7.7845 119.4315 55.0092 17.9659 179.0701 27 E 3.4400 7.0173 116.8056 59.5162 29.3420 179.2532 28 R 3.7602 7.2984 116.7973 59.4492 30.1053 177.8032 29 F 4.4649 8.0153 121.0549 60.2569 39.7071 176.4934 30 C 4.5227 8.6569 117.0024 58.4134 40.9852 173.4817 31 M 4.9210 7.2633 117.7451 53.6536 30.4554 174.1314 32 E 4.4488 7.3479 117.4315 58.3200 32.6446 178.0417 33 H 4.1389 8.7772 122.9772 58.9903 31.4238 174.2112 34 P 4.6667 0.0000 0.0000 67.6529 30.9335 175.1335 35 N 3.7611 7.0785 115.3376 51.6802 40.7982 176.8991 36 N 3.6764 8.7206 116.3278 54.6214 38.0735 174.9091 37 G 4.5323 8.1306 105.1466 46.2537 0.0000 172.0659 38 H 4.9650 8.1165 115.4757 54.4475 34.1600 172.9139 39 L 4.5454 8.5352 120.1389 54.2047 42.4065 178.0222 40 V 3.4388 8.3730 115.6116 62.1053 31.9992 175.7399 41 S 4.9116 8.4406 118.7687 56.5755 65.0096 174.1167 42 I 4.7236 8.0548 121.9999 60.2040 38.3633 175.0848 43 E 4.6263 10.1644 125.3267 56.4397 30.2879 176.9783 44 S 4.7144 7.5696 113.2108 56.2094 67.0940 174.5853 45 M 3.9984 8.6403 121.9651 58.5958 31.9500 178.1008 46 E 3.9040 8.1380 119.1239 59.3705 29.9153 178.2822 47 E 3.1811 8.1757 118.8582 58.7646 29.7519 178.4191 48 A 4.0777 8.1413 121.0399 55.3736 18.4294 179.3964 49 E 3.8883 8.2453 116.8936 59.4972 29.5508 179.1081 50 F 3.8378 7.9705 120.4870 61.6072 39.3124 177.4868 51 V 3.2685 7.9858 111.6301 64.1754 31.3200 178.5544 52 A 3.8641 7.7318 119.8889 55.1178 18.3481 179.3227 53 K 3.6899 7.9261 118.1276 59.6006 31.8545 178.5452 54 L 3.5647 7.0593 119.2712 58.1559 42.3628 178.7808 55 L 3.5302 7.4803 118.8216 57.4002 41.0213 179.8170 56 S 4.2060 8.1098 114.8383 61.5610 62.9826 175.9162 57 N 4.3226 8.2165 118.1033 55.1416 38.9202 175.1790 58 T 4.0748 6.7281 116.1083 64.3151 69.0339 173.7175 59 T 4.4260 8.1430 112.8996 62.5375 70.5068 175.3188 *64 T 4.2463 7.5697 118.1944 65.0284 71.2897 172.3213 65 H 5.2511 8.4369 120.6222 55.2888 31.8642 174.0242 66 F 5.1989 9.0055 119.4780 55.3490 42.7265 174.5863 67 W 5.2627 9.4995 123.1372 56.8432 29.2682 176.2429 68 I 4.2930 9.2006 126.0873 59.9977 38.8353 175.4856 69 G 4.1605 8.6001 114.3148 45.2737 0.0000 173.8460 70 L 4.0972 7.7443 122.2794 54.7087 42.6151 175.8751 71 M 4.6887 8.1935 121.5473 53.4794 34.4475 174.2521 72 I 4.3723 7.8962 119.8653 59.8637 39.1684 175.8286 73 K 4.5597 8.1444 123.3694 55.6423 34.5301 171.4471 74 D 4.2395 8.6459 123.9863 53.6588 40.1632 174.8957 75 K 4.1496 8.6869 120.7867 56.6352 31.7102 176.0433 76 E 4.4848 8.3013 120.2360 54.4517 30.7868 176.5409 77 Q 3.4709 8.7848 125.9252 59.0994 29.2322 177.3399 78 E 4.0397 7.9217 113.2665 56.3141 31.8279 179.2408 79 C 4.1548 8.1058 118.9751 60.7120 26.8191 173.9257 80 S 4.6558 9.1172 120.2131 58.8496 64.1967 174.2376 81 S 4.3762 7.9264 117.2719 58.2158 63.3821 172.9266 82 E 4.6096 8.0554 119.1177 53.8569 32.9538 174.7146 83 W 4.4566 8.1674 119.1619 56.6964 29.5038 177.9737 84 S 4.2378 8.9760 116.2809 61.1203 62.4074 175.3457 85 D 4.4854 8.1844 119.6404 54.4520 39.7454 176.2476 86 G 4.3739 8.0810 109.5124 46.2439 0.0000 174.8756 87 S 4.2932 8.9888 116.0375 57.9454 63.4606 174.2925 88 S 4.3893 8.4624 117.3427 58.3163 63.6286 174.9557 89 V 4.4532 7.9356 121.2251 61.6533 28.9851 175.1927 90 S 4.2592 7.9317 118.9010 59.9646 63.2393 172.9391 91 Y 4.5053 7.8732 121.8957 57.0408 39.6328 174.6981 92 D 4.6519 8.3281 125.8590 52.4693 43.3501 175.0365 93 K 4.3990 8.1089 128.4769 56.1478 33.0477 176.2042 94 L 4.2808 8.0762 122.3969 54.6429 42.4457 176.1013 95 G 3.7043 8.5308 115.5494 45.5280 0.0000 173.2175 96 K 2.0000 8.4594 123.4308 58.9222 32.0823 178.6827 97 Q 3.9867 7.7026 113.4150 57.4219 28.4189 176.5813 98 E 4.4271 7.3531 116.9445 56.2619 30.7167 176.5428 99 F 4.7455 7.9710 119.5858 57.7125 39.9981 175.1490 100 R 4.9466 8.1879 120.7019 54.8479 30.1820 175.4330 101 K 4.1090 7.8456 113.9812 56.3509 33.2553 177.2555 102 C 4.7209 7.5157 117.2747 55.1560 44.8747 172.5273 103 F 6.2521 8.6942 116.7609 55.1474 43.1137 174.6531 104 V 5.1846 8.6086 113.5901 59.9725 36.4088 174.0654 105 L 5.6350 9.2364 122.2590 53.3259 44.5211 175.6967 106 E 4.9488 8.4925 119.8763 54.3720 32.9453 176.1416 107 K 2.4800 7.9593 122.7553 59.3720 32.4583 178.1777 108 E 3.7877 8.1958 117.7524 59.3155 29.0699 177.5818 109 S 4.4017 7.9418 110.4451 58.1559 63.5729 174.9205 110 G 4.1284 8.3490 109.2224 46.0876 0.0000 173.2097 111 Y 3.9488 7.6045 114.1500 59.1632 35.8106 170.7613 112 R 4.8937 7.8332 114.5974 56.0480 31.8324 175.2746 113 M 4.5804 8.2706 115.8472 53.3411 35.7164 174.7570 114 W 5.3193 8.4541 122.5491 55.6816 30.4287 175.4594 115 F 4.9688 9.1725 124.0845 55.7963 41.0318 175.3999 116 N 5.1358 8.7580 119.2559 52.9120 39.4195 174.6275 117 R 4.7553 8.0572 119.0505 54.7347 35.3993 173.9781 118 N 4.8435 9.1580 120.2079 53.3591 39.2466 175.4774 119 C 4.4471 9.0860 123.6261 59.7014 40.4820 175.1226 120 E 3.9621 8.3945 118.5192 57.6462 29.9696 176.2266 121 E 4.2444 8.6881 118.8979 56.7731 31.0552 176.2132 122 R 5.0212 8.1757 120.7010 55.1922 31.9088 174.8172 123 Y 4.7291 8.7918 121.3008 55.6770 42.6920 175.0881 124 L 4.8962 8.0767 120.1887 54.9860 43.4978 175.9845 125 F 5.7355 8.4473 114.7693 56.2733 42.3379 173.5788 126 V 4.7149 8.5513 117.3754 60.5007 34.1318 175.4110 127 C 5.0774 9.2004 123.8281 56.4692 40.3951 172.9616 128 K 4.3224 9.0861 124.4230 54.7643 32.0317 175.7784 129 V 4.4736 8.5675 120.0928 59.0235 34.2839 173.2937 130 P 5.0830 0.0000 0.0000 61.5403 32.3010 174.6707 131 P 4.6989 0.0000 0.0000 61.6036 32.6734 175.9283 132 E 4.2110 8.5302 119.2202 56.6780 30.1291 177.0305 133 C 4.4140 8.3264 114.7455 58.4934 29.8719 173.8734 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 D 8.35 4.59 0.00 2.83 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 2 C 8.40 4.57 0.00 3.17 3.15 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 3 P 0.00 4.87 0.00 2.20 2.18 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 4 P 0.00 4.42 0.00 2.23 2.25 0.00 4.19 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 5 D 7.12 5.75 0.00 2.73 2.67 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 6 S 7.61 4.81 0.00 4.09 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 7 S 8.92 5.00 0.00 4.03 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 8 L 8.61 5.24 0.00 1.72 1.62 1.05 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 8.90 4.05 0.00 1.43 1.80 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 10 R 8.88 3.00 0.00 1.12 1.31 0.00 3.04 0.00 0.00 2.27 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 11 Y 7.73 4.05 0.00 2.94 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 12 F 7.96 5.23 0.00 3.24 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 13 C 9.55 5.87 0.00 3.04 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 14 Y 9.83 5.11 0.00 3.01 3.03 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 15 R 8.66 4.75 0.00 1.91 1.77 0.00 2.74 0.00 0.00 2.95 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 16 V 7.88 4.29 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 0.73 0.00 0.00 0.73 0.00 0.00 17 F 8.36 4.60 0.00 2.08 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.54 4.52 0.00 1.73 1.80 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.44 7.81 19 E 8.01 4.53 0.00 2.04 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 2.24 2.36 0.00 20 H 9.01 4.76 0.00 3.02 3.25 0.00 5.89 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 9.11 4.87 0.00 1.34 1.44 0.00 0.87 0.00 0.00 1.35 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.43 7.81 22 T 8.23 5.32 4.48 0.00 0.00 0.00 0.00 0.00 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 23 W 8.32 2.65 0.00 1.81 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 24 E 8.45 3.97 0.00 2.24 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 2.41 2.46 0.00 25 A 7.85 3.79 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 26 A 7.78 2.80 0.29 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 0.00 0.00 0.00 27 E 7.02 3.44 0.00 1.16 1.14 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 2.06 2.17 0.00 28 R 7.30 3.76 0.00 1.91 2.06 0.00 3.45 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 29 F 8.02 4.46 0.00 2.94 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 30 C 8.66 4.52 0.00 3.10 3.20 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 31 M 7.26 4.92 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 32 E 7.35 4.45 0.00 1.70 1.56 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 2.18 2.32 0.00 33 H 8.78 4.14 0.00 3.05 3.18 0.00 5.72 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 34 P 0.00 4.67 0.00 2.30 2.22 0.00 3.55 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.89 0.00 35 N 7.08 3.76 0.00 2.78 2.74 0.00 0.00 6.99 6.92 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 36 N 8.72 3.68 0.00 2.90 3.00 0.00 0.00 6.87 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 37 G 8.13 4.53 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 0.00 0.00 0.00 38 H 8.12 4.97 0.00 3.02 3.09 0.00 5.62 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.54 4.55 0.00 1.49 1.69 0.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.37 3.44 2.21 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 0.96 0.00 0.00 1.18 0.00 0.00 41 S 8.44 4.91 0.00 3.95 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 42 I 8.05 4.72 2.23 0.00 0.00 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 1.61 0.80 1.24 0.00 0.00 43 E 10.16 4.63 0.00 2.02 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 2.35 2.45 0.00 44 S 7.57 4.71 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 M 8.64 4.00 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.74 0.00 46 E 8.14 3.90 0.00 2.14 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 2.52 2.45 0.00 47 E 8.18 3.18 0.00 2.27 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 0.00 2.40 2.29 0.00 48 A 8.14 4.08 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.25 3.89 0.00 2.18 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 2.33 2.56 0.00 50 F 7.97 3.84 0.00 2.55 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 3.27 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 0.90 0.00 0.00 1.06 0.00 0.00 52 A 7.73 3.86 1.54 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 0.00 0.00 53 K 7.93 3.69 0.00 1.74 1.72 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.35 7.81 54 L 7.06 3.56 0.00 0.92 1.35 0.72 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.48 3.53 0.00 0.71 0.13 0.22 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.11 4.21 0.00 3.89 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 57 N 8.22 4.32 0.00 2.71 2.88 0.00 0.00 7.33 7.70 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 58 T 6.73 4.07 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 59 T 8.14 4.43 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 1.20 0.00 0.00 *64 T 7.57 4.25 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 1.12 0.00 0.00 65 H 8.44 5.25 0.00 2.72 2.61 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 9.01 5.20 0.00 3.08 3.03 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 67 W 9.50 5.26 0.00 3.38 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 68 I 9.20 4.29 2.00 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.71 0.93 0.00 0.00 69 G 8.60 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 0.00 0.00 0.00 70 L 7.74 4.10 0.00 1.13 1.37 0.75 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 71 M 8.19 4.69 0.00 1.71 1.60 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 72 I 7.90 4.37 1.78 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 1.52 0.83 0.86 0.00 0.00 73 K 8.14 4.56 0.00 1.69 1.73 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.31 7.81 74 D 8.65 4.24 0.00 3.01 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 75 K 8.69 4.15 0.00 1.75 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.44 7.81 76 E 8.30 4.48 0.00 2.11 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 2.20 2.18 0.00 77 Q 8.78 3.47 0.00 1.69 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.06 0.00 0.00 0.00 0.00 0.00 1.16 1.98 0.00 78 E 7.92 4.04 0.00 1.97 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 2.25 2.14 0.00 79 C 8.11 4.15 0.00 3.10 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 80 S 9.12 4.66 0.00 3.78 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 81 S 7.93 4.38 0.00 3.84 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 4.61 0.00 2.36 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 2.24 2.33 0.00 83 W 8.17 4.46 0.00 3.70 3.24 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 0.00 84 S 8.98 4.24 0.00 4.03 4.09 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 85 D 8.18 4.49 0.00 2.82 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 G 8.08 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 0.00 0.00 0.00 0.00 87 S 8.99 4.29 0.00 4.04 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 88 S 8.46 4.39 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.94 4.45 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 0.56 0.00 0.00 90 S 7.93 4.26 0.00 3.97 3.88 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 91 Y 7.87 4.51 0.00 2.91 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 92 D 8.33 4.65 0.00 2.58 2.46 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 93 K 8.11 4.40 0.00 1.75 1.26 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.17 1.35 7.81 94 L 8.08 4.28 0.00 1.66 1.81 0.97 1.37 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 95 G 8.53 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 96 K 8.46 2.00 0.00 1.51 1.55 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.21 1.26 7.81 97 Q 7.70 3.99 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 98 E 7.35 4.43 0.00 2.07 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 2.24 2.37 0.00 99 F 7.97 4.75 0.00 3.01 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 0.00 100 R 8.19 4.95 0.00 1.72 1.79 0.00 3.39 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 101 K 7.85 4.11 0.00 1.59 1.67 0.00 1.24 0.00 0.00 1.56 0.00 0.00 2.69 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.22 1.37 7.81 102 C 7.52 4.72 0.00 3.04 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 0.00 103 F 8.69 6.25 0.00 2.97 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 0.00 104 V 8.61 5.18 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 -0.07 0.00 0.00 0.61 0.00 0.00 105 L 9.24 5.64 0.00 1.91 1.99 1.12 1.44 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 0.00 106 E 8.49 4.95 0.00 1.93 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 1.85 1.89 0.00 107 K 7.96 2.48 0.00 1.75 1.73 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.33 1.28 7.81 108 E 8.20 3.79 0.00 1.86 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 2.26 2.28 0.00 109 S 7.94 4.40 0.00 4.22 4.35 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 0.00 110 G 8.35 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 0.00 111 Y 7.60 3.95 0.00 3.19 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 0.00 112 R 7.83 4.89 0.00 1.74 1.86 0.00 3.12 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 113 M 8.27 4.58 0.00 1.61 2.20 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 114 W 8.45 5.32 0.00 3.19 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 0.00 115 F 9.17 4.97 0.00 3.05 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 0.00 116 N 8.76 5.14 0.00 2.59 2.79 0.00 0.00 7.08 7.66 0.00 0.00 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 R 8.06 4.76 0.00 1.77 1.94 0.00 3.45 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.17 0.00 118 N 9.16 4.84 0.00 2.89 2.99 0.00 0.00 7.10 7.51 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 0.00 119 C 9.09 4.45 0.00 3.01 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 0.00 120 E 8.39 3.96 0.00 1.95 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 2.29 2.42 0.00 121 E 8.69 4.24 0.00 2.30 1.56 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 2.36 2.58 0.00 122 R 8.18 5.02 0.00 1.59 1.89 0.00 3.14 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 1.58 1.62 0.00 123 Y 8.79 4.73 0.00 1.93 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 0.00 124 L 8.08 4.90 0.00 1.12 1.65 0.71 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.45 5.74 0.00 3.42 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.55 4.71 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 0.91 0.00 0.00 1.10 0.00 0.00 127 C 9.20 5.08 0.00 3.24 3.20 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 0.00 128 K 9.09 4.32 0.00 1.42 1.33 0.00 1.35 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.38 0.21 7.81 129 V 8.57 4.47 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 0.78 0.00 0.00 1.05 0.00 0.00 130 P 0.00 5.08 0.00 1.97 2.00 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 131 P 0.00 4.70 0.00 2.30 2.08 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 132 E 8.53 4.21 0.00 2.00 1.94 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 2.34 2.27 0.00 133 C 8.33 4.41 0.00 3.00 2.81 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 * Residues marked with a * may have inaccurate shift predictions.