NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.6818 8.4249 118.2117 52.5857 38.6463 174.1951 6 L 4.3386 8.2356 118.8367 55.2041 42.8042 174.6043 7 Y 5.4805 7.6279 115.2324 56.2880 41.6698 173.6912 8 T 4.7211 9.3399 114.2914 60.3659 71.2447 173.1794 9 Q 4.2704 9.0646 128.4528 56.2727 29.8101 175.9895 10 V 4.1903 7.8926 115.2625 61.9409 34.2671 175.2260 11 A 4.3111 7.1688 120.1505 50.9329 21.6861 174.6228 12 D 4.4292 8.6081 118.9347 56.5088 41.0989 176.8996 13 N 4.4529 9.1388 118.8993 53.7627 36.3690 172.7356 14 E 5.2211 7.7352 118.8900 55.0760 33.3528 173.7428 15 Y 5.2513 9.2379 122.9487 56.5164 43.2936 173.6966 16 L 5.2903 9.2933 121.7762 53.1715 44.5881 175.7245 17 V 5.0340 8.9374 123.5687 60.9275 33.9446 174.7677 18 Q 4.4829 9.4253 127.8844 55.8918 29.1600 177.5394 19 G 4.0550 8.9615 111.7799 49.3639 0.0000 173.9343 20 R 4.1449 7.4455 117.3086 55.5940 28.2197 176.0890 *22 L 4.3231 7.9714 124.0936 54.5214 44.2089 177.2335 23 I 3.6467 8.4655 124.2310 64.9772 37.1543 178.6468 24 D 4.3976 8.1264 118.8946 57.3350 40.5859 178.6012 25 E 3.9415 8.1715 118.6547 59.2765 29.5012 178.7885 26 F 4.0906 8.5846 121.0042 61.6177 39.4524 176.9316 27 N 4.7588 8.5512 117.4357 55.7002 38.0692 177.0750 28 E 3.8172 7.9020 119.8738 59.2309 29.8531 178.7905 29 V 3.2978 7.4765 117.0144 65.2748 31.6107 177.1349 30 F 4.1908 7.4275 113.7944 55.8385 39.6834 175.2616 31 E 3.6953 8.0108 117.4213 57.9266 27.3869 173.7513 32 T 4.7739 7.6189 107.0977 60.2128 71.7762 173.2540 33 D 5.2519 8.2276 118.9975 53.8744 41.9901 176.4849 34 L 4.2052 8.2359 118.5328 55.2546 42.2549 176.2510 35 H 4.8686 8.3318 118.1744 54.7292 33.2247 172.7222 *37 S 4.1487 8.2417 115.0941 59.9362 63.5752 174.4096 38 D 4.5190 8.9472 121.1274 54.8354 38.2064 173.7214 39 V 4.4756 7.4254 117.5373 61.3365 34.3876 174.8022 40 D 5.0164 8.8291 125.1182 54.4211 44.1644 176.3257 41 T 4.7866 7.2973 107.2858 61.7063 68.8743 176.0319 *43 A 4.2354 8.7839 119.8219 51.9758 20.4176 179.1224 44 G 3.6182 8.0157 102.4411 47.8934 0.0000 175.1206 45 Y 3.8560 8.2517 122.1393 60.5123 38.7690 178.2003 46 L 3.8529 7.9285 120.5958 58.0192 42.3530 178.5794 47 I 3.6187 7.7418 119.7686 64.7545 36.8448 178.5066 48 T 3.7071 7.5837 114.7319 66.5633 68.3395 176.3067 49 A 3.5149 7.3395 121.4247 54.8340 18.2059 179.3958 50 L 4.0073 7.6799 117.1437 56.0063 41.8067 178.9129 51 G 3.9691 9.1733 105.4347 45.5872 0.0000 173.3036 52 T 4.6075 7.0910 114.3845 61.8969 72.5467 173.2743 53 I 4.0337 8.1917 126.2841 59.9554 37.7435 174.4613 54 P 4.3922 0.0000 0.0000 62.0207 32.0689 175.9558 55 D 4.4709 8.8108 121.1777 53.8717 41.7997 175.7038 56 E 4.0786 8.5586 124.0995 58.2792 29.7785 177.7620 57 G 3.9538 9.0689 112.0168 45.0117 0.0000 172.6661 58 E 4.4474 7.9023 120.7517 54.9946 31.0609 176.3747 59 K 5.0908 8.4383 123.4326 53.2754 32.6540 173.5764 60 P 4.7611 0.0000 0.0000 62.6700 33.4532 176.8611 61 S 5.3567 8.4853 113.9014 56.6075 66.6780 172.8620 62 F 4.9624 9.3846 122.7318 56.6035 42.2996 173.1929 63 E 5.0805 8.1051 125.1502 54.6328 31.9072 176.1561 64 V 4.1434 8.6298 122.7456 61.3973 35.3622 174.0610 65 G 3.6717 8.2974 114.4534 47.1437 0.0000 173.3269 66 N 4.9282 8.8360 122.0161 52.4139 37.6096 173.6862 67 I 4.7877 7.8274 119.9619 59.8809 40.0090 174.4050 68 K 4.9144 8.9570 127.0727 54.6231 35.1029 174.4467 69 L 5.1390 9.1369 127.7405 53.3473 44.1702 175.5532 70 T 5.0800 9.0060 120.2703 61.5346 72.2926 173.6082 71 A 4.3878 8.8376 127.7492 51.8120 18.0953 177.5188 72 E 4.0589 8.8923 123.4903 59.4374 30.7709 175.5365 73 E 4.5183 7.7173 118.1408 54.6778 34.4986 173.7729 *75 E 4.2899 8.7151 120.4397 56.3510 30.2812 175.8529 76 G 3.7112 8.8065 119.9478 47.2953 0.0000 173.3917 77 T 4.2617 8.5493 114.6011 61.2993 69.1600 174.4165 78 R 4.0537 7.7519 123.9005 55.6032 30.6229 175.6340 79 L 4.2690 8.3493 127.5613 54.4897 41.7474 176.0777 80 L 4.2885 8.9281 127.6375 57.1914 42.8808 177.6001 81 V 4.8864 7.6187 117.4464 61.1571 35.1792 173.7465 82 L 5.1561 9.2836 127.4699 53.2482 44.4597 175.2207 83 R 5.0040 8.8200 122.9991 54.9378 32.3909 175.0460 84 V 4.7703 8.9995 125.7691 61.3211 34.4960 173.4022 85 H 5.1295 9.0011 127.8025 54.3216 32.4655 172.4839 86 F 5.0568 8.5746 124.2003 56.0767 40.5948 174.7879 87 Y 4.8533 9.2406 120.6766 56.3280 41.2898 175.8039 88 D 4.5941 8.7265 118.9706 54.7286 41.2349 176.8631 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 5 N 8.42 4.68 0.00 2.71 2.75 0.00 0.00 6.10 6.90 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 6 L 8.24 4.34 0.00 1.92 1.93 1.03 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.63 5.48 0.00 3.34 3.10 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 0.00 0.00 0.00 0.00 8 T 9.34 4.72 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 1.28 0.00 0.00 9 Q 9.06 4.27 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.64 0.00 0.00 0.00 0.00 0.00 2.13 1.53 0.00 10 V 7.89 4.19 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 0.76 0.00 0.00 0.93 0.00 0.00 11 A 7.17 4.31 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 12 D 8.61 4.43 0.00 2.64 2.64 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 0.00 0.00 0.00 13 N 9.14 4.45 0.00 2.77 2.98 0.00 0.00 6.52 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 14 E 7.74 5.22 0.00 1.91 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.42 0.00 15 Y 9.24 5.25 0.00 2.92 3.13 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 16 L 9.29 5.29 0.00 1.65 1.65 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.94 5.03 2.23 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 1.04 0.00 0.00 1.26 0.00 0.00 18 Q 9.43 4.48 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.51 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 19 G 8.96 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 20 R 7.45 4.14 0.00 2.16 2.04 0.00 3.14 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 *22 L 7.97 4.32 0.00 1.85 1.71 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.47 3.65 1.89 0.00 0.00 1.00 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 0.62 0.83 0.00 0.00 24 D 8.13 4.40 0.00 2.72 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 25 E 8.17 3.94 0.00 2.29 2.04 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 2.42 2.40 0.00 26 F 8.58 4.09 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 27 N 8.55 4.76 0.00 2.96 2.96 0.00 0.00 6.19 7.55 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 28 E 7.90 3.82 0.00 2.03 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 2.23 2.25 0.00 29 V 7.48 3.30 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 -0.90 0.00 0.00 0.65 0.00 0.00 30 F 7.43 4.19 0.00 2.50 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 31 E 8.01 3.70 0.00 2.02 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 2.13 2.29 0.00 32 T 7.62 4.77 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 1.50 0.00 0.00 33 D 8.23 5.25 0.00 2.68 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 34 L 8.24 4.21 0.00 1.42 1.22 0.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.33 4.87 0.00 3.17 3.21 0.00 5.73 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 *37 S 8.24 4.15 0.00 3.91 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 38 D 8.95 4.52 0.00 2.83 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 39 V 7.43 4.48 2.11 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 0.82 0.00 0.00 0.96 0.00 0.00 40 D 8.83 5.02 0.00 2.73 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 41 T 7.30 4.79 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 1.24 0.00 0.00 *43 A 8.78 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.02 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.25 3.86 0.00 3.13 2.87 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 46 L 7.93 3.85 0.00 1.87 1.66 0.99 1.03 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 47 I 7.74 3.62 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.01 0.86 0.00 0.00 48 T 7.58 3.71 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 1.04 0.00 0.00 49 A 7.34 3.51 -0.08 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 0.00 0.00 50 L 7.68 4.01 0.00 1.67 1.70 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 51 G 9.17 3.97 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 0.00 0.00 0.00 52 T 7.09 4.61 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 1.20 0.00 0.00 53 I 8.19 4.03 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.45 0.90 0.00 0.00 54 P 0.00 4.39 0.00 2.04 1.98 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 2.03 2.07 0.00 55 D 8.81 4.47 0.00 2.80 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 56 E 8.56 4.08 0.00 2.00 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 2.32 2.33 0.00 57 G 9.07 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 58 E 7.90 4.45 0.00 1.96 1.95 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 2.27 2.27 0.00 59 K 8.44 5.09 0.00 1.74 1.71 0.00 1.87 0.00 0.00 1.14 0.00 0.00 3.31 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.51 7.81 60 P 0.00 4.76 0.00 2.14 2.19 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 61 S 8.49 5.36 0.00 3.95 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 62 F 9.38 4.96 0.00 3.04 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 63 E 8.11 5.08 0.00 1.62 1.66 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 2.14 2.15 0.00 64 V 8.63 4.14 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 0.87 0.00 0.00 1.06 0.00 0.00 65 G 8.30 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 66 N 8.84 4.93 0.00 3.11 3.14 0.00 0.00 5.84 7.68 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 67 I 7.83 4.79 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.71 0.66 0.00 0.00 68 K 8.96 4.91 0.00 1.99 1.81 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.40 7.81 69 L 9.14 5.14 0.00 1.72 1.59 1.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 70 T 9.01 5.08 4.27 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 1.32 0.00 0.00 71 A 8.84 4.39 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 72 E 8.89 4.06 0.00 2.10 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 2.33 2.32 0.00 73 E 7.72 4.52 0.00 2.05 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 2.28 2.31 0.00 *75 E 8.72 4.29 0.00 2.07 1.91 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 2.28 2.32 0.00 76 G 8.81 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 0.00 0.00 0.00 77 T 8.55 4.26 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 78 R 7.75 4.05 0.00 1.82 2.07 0.00 3.26 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 79 L 8.35 4.27 0.00 1.63 1.60 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.93 4.29 0.00 1.89 1.71 0.96 0.48 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 81 V 7.62 4.89 2.12 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 1.07 0.00 0.00 0.97 0.00 0.00 82 L 9.28 5.16 0.00 1.66 1.55 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.82 5.00 0.00 2.00 1.80 0.00 3.06 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 84 V 9.00 4.77 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 0.27 0.00 0.00 0.96 0.00 0.00 85 H 9.00 5.13 0.00 3.12 2.85 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 F 8.57 5.06 0.00 2.85 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 87 Y 9.24 4.85 0.00 2.94 2.92 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 0.00 88 D 8.73 4.59 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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.