NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.6389 8.3649 120.3200 53.0786 40.4235 175.3290 8 N 4.1595 8.6655 122.3552 54.4801 39.8854 173.0502 9 I 4.4510 7.7455 118.4456 59.6662 40.2806 173.9338 10 H 5.0168 9.1380 128.0180 53.9442 32.2531 173.1115 11 A 4.5712 8.6771 129.2753 51.7030 18.5655 177.1171 12 V 3.7543 8.3022 124.3168 65.8086 31.8841 175.6886 13 S 4.6142 7.2496 112.1036 56.3902 66.0132 174.4337 14 S 4.1327 8.5508 114.1065 60.7286 62.6250 174.8412 15 E 4.1449 7.6303 118.1284 55.1090 30.3711 175.0759 16 R 4.3524 6.7430 119.2016 54.5125 33.6534 173.7275 17 W 5.3615 8.9658 125.8625 54.9024 32.5593 174.7165 18 R 4.7382 9.5469 125.3069 55.2967 31.3269 174.9976 19 I 5.0895 8.9580 127.0743 59.5110 41.1544 174.6743 20 H 4.6404 8.8285 124.6569 55.8257 29.1354 176.7946 21 A 3.9362 9.4203 126.3940 55.1409 18.3960 178.8083 22 A 4.2923 7.8937 115.8786 52.9705 18.9978 177.6587 23 T 3.9158 7.8986 114.7143 63.4654 69.2904 173.7899 24 E 4.4587 8.7574 125.8001 56.4380 30.4837 178.0086 25 I 3.8034 8.5182 124.4719 64.5685 37.1524 178.5432 26 E 4.0240 8.2688 117.9003 59.8417 29.2672 178.9577 27 D 4.4079 8.1432 119.2691 56.8814 40.8467 178.7352 28 I 3.9166 7.8290 119.9931 64.6222 37.1784 177.9689 29 N 4.7965 8.2870 118.5327 56.1221 38.1321 177.5731 30 T 3.8359 7.8505 116.0324 66.6905 68.6489 176.1916 31 F 4.0071 8.0025 121.0763 60.6300 39.4924 176.4373 32 F 4.5747 8.3077 115.0121 56.4063 39.5316 176.7969 33 G 3.8348 8.1340 106.3428 46.2358 0.0000 173.8957 34 T 4.0714 7.4490 109.9928 61.0959 69.5927 173.6446 35 E 4.6639 7.6744 118.9368 55.9803 30.7290 176.1267 36 Y 4.5072 7.9857 115.7800 58.3130 38.6658 176.1303 37 S 4.9357 8.4995 117.1268 57.0027 65.5452 173.7721 38 S 5.2195 8.4145 115.0954 57.2974 63.3968 175.6744 39 E 4.1442 8.3163 119.7366 58.1927 30.4508 176.3775 40 E 4.3457 7.8990 115.3780 56.4400 31.2408 175.7932 41 A 4.1228 6.8850 119.5723 52.5122 19.9822 178.4958 42 D 5.0308 8.6806 118.9525 52.8377 40.4116 175.4751 43 T 5.0128 7.3292 110.1043 59.7383 72.9941 174.4872 44 I 3.5716 8.5401 122.4145 64.0078 37.9464 178.6360 45 G 3.5899 8.3762 107.1864 47.5761 0.0000 175.9062 46 G 3.5706 8.0084 108.2593 47.4426 0.0000 175.4989 47 L 3.8051 8.0751 123.2115 57.6260 41.9659 179.1396 48 V 3.3940 7.6351 118.1928 66.0858 31.3876 177.9865 49 I 3.7287 7.5626 119.3937 64.4817 36.7187 178.1554 50 Q 3.9089 8.0061 119.3538 59.3284 28.9244 177.9841 51 E 4.0784 8.1973 118.9116 59.2363 29.5736 178.9328 52 L 4.1144 7.9160 118.6526 55.5372 41.8327 178.4317 53 G 3.9478 10.0709 106.1593 45.3175 0.0000 171.9639 54 H 4.6209 6.8893 112.7562 54.0315 31.0329 172.8341 55 L 4.0278 8.3765 122.3963 54.2292 41.8076 174.7451 56 P 4.8276 0.0000 0.0000 62.2665 32.8237 175.5498 57 V 4.2609 8.4643 112.6616 59.0592 33.5463 175.7285 58 R 4.2255 8.3410 121.0955 58.5636 29.9726 176.3611 59 G 4.0686 9.0484 114.1394 45.1741 0.0000 173.7680 60 E 4.2619 8.0965 119.4959 56.5067 30.6163 176.3094 61 K 5.3578 8.5599 121.2392 54.6707 36.1379 176.0415 62 V 4.5059 8.8922 122.6503 59.9285 34.9181 173.9001 63 L 4.8769 8.6327 126.4343 54.1009 43.4453 175.8050 64 I 4.4829 8.6951 126.9790 60.0777 40.4158 175.2907 65 G 3.8594 8.5918 117.4498 47.2896 0.0000 173.3665 66 G 4.0791 8.6656 113.2127 44.9751 0.0000 171.8346 67 L 4.9772 7.8111 119.0933 52.4659 45.3663 175.1417 68 Q 4.8396 8.9600 124.2250 54.5444 31.1530 173.9673 69 F 4.9959 9.2093 125.8631 56.1900 41.1289 174.7805 70 T 5.0715 8.4457 119.8937 61.5394 71.6499 173.5720 71 V 3.9358 8.9573 126.7793 63.1409 31.9759 175.9788 72 A 4.4341 9.0518 130.2453 53.2026 20.7629 177.3043 73 R 4.6549 7.8018 115.1573 54.8350 33.3058 174.0226 74 A 5.2577 8.6540 126.7137 50.8328 23.0827 174.3365 75 D 5.0029 9.1973 118.8347 51.3857 42.3723 176.0124 76 N 4.6523 8.7768 114.9086 54.6963 37.5355 175.5298 77 R 4.5171 7.8849 115.8580 56.8437 32.8904 176.2265 78 R 4.5760 9.0230 115.4986 54.0684 34.0277 173.3916 79 L 4.6132 8.2989 123.1405 54.6786 42.8762 175.0955 80 H 4.8593 9.4555 123.0281 57.1995 31.4726 174.7213 81 T 5.0905 7.7749 113.1775 61.9273 72.7194 172.9818 82 L 5.4888 9.1285 126.0360 52.9370 45.9929 175.0831 *84 A 4.5833 8.5072 122.9498 53.2159 20.4686 176.2330 85 T 5.2981 8.6028 109.9259 59.9968 73.0010 173.1952 86 R 4.6636 8.6848 120.9458 55.7341 31.3702 177.2154 87 V 3.8918 8.3698 115.1681 61.7314 31.2042 176.1817 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 7 D 8.36 4.64 0.00 2.99 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 8 N 8.67 4.16 0.00 2.71 2.88 0.00 0.00 6.86 6.53 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 9 I 7.75 4.45 1.04 0.00 0.00 0.47 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 0.40 -0.19 0.00 0.00 10 H 9.14 5.02 0.00 3.34 3.29 0.00 5.77 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 11 A 8.68 4.57 1.37 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 12 V 8.30 3.75 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 0.79 0.00 0.00 1.00 0.00 0.00 13 S 7.25 4.61 0.00 3.87 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 14 S 8.55 4.13 0.00 3.99 4.01 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 15 E 7.63 4.14 0.00 1.76 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 2.14 2.17 0.00 16 R 6.74 4.35 0.00 1.54 1.44 0.00 2.95 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.67 0.00 17 W 8.97 5.36 0.00 3.58 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 18 R 9.55 4.74 0.00 1.92 1.90 0.00 3.06 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 19 I 8.96 5.09 2.05 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.91 1.00 0.00 0.00 20 H 8.83 4.64 0.00 3.12 3.23 0.00 5.64 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 21 A 9.42 3.94 1.29 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 22 A 7.89 4.29 1.29 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 23 T 7.90 3.92 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 1.22 0.00 0.00 24 E 8.76 4.46 0.00 2.04 1.89 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 2.41 2.35 0.00 25 I 8.52 3.80 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.73 1.06 0.00 0.00 26 E 8.27 4.02 0.00 2.21 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 2.39 2.43 0.00 27 D 8.14 4.41 0.00 2.95 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 28 I 7.83 3.92 2.27 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.07 1.36 0.00 0.00 29 N 8.29 4.80 0.00 2.96 2.92 0.00 0.00 6.56 6.53 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 30 T 7.85 3.84 4.42 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 1.21 0.00 0.00 31 F 8.00 4.01 0.00 2.87 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 32 F 8.31 4.57 0.00 3.12 2.90 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 0.00 0.00 0.00 33 G 8.13 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 0.00 0.00 0.00 34 T 7.45 4.07 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 0.91 0.00 0.00 35 E 7.67 4.66 0.00 1.88 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 2.15 2.23 0.00 36 Y 7.99 4.51 0.00 2.98 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.50 4.94 0.00 4.02 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 38 S 8.41 5.22 0.00 3.85 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 39 E 8.32 4.14 0.00 2.07 2.09 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 2.27 2.24 0.00 40 E 7.90 4.35 0.00 1.87 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 0.00 2.19 2.25 0.00 41 A 6.89 4.12 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 42 D 8.68 5.03 0.00 2.79 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 43 T 7.33 5.01 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 1.22 0.00 0.00 44 I 8.54 3.57 1.80 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.65 0.94 0.00 0.00 45 G 8.38 3.59 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 0.00 0.00 0.00 46 G 8.01 3.57 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 0.00 0.00 0.00 47 L 8.08 3.81 0.00 1.57 1.54 0.78 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.64 3.39 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 0.67 0.00 0.00 49 I 7.56 3.73 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.57 0.87 0.00 0.00 50 Q 8.01 3.91 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 51 E 8.20 4.08 0.00 1.87 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 2.37 2.35 0.00 52 L 7.92 4.11 0.00 1.50 1.42 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 53 G 10.07 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 54 H 6.89 4.62 0.00 3.24 3.26 0.00 5.53 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.38 4.03 0.00 1.61 1.65 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.83 0.00 2.23 2.03 0.00 3.78 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 1.96 1.95 0.00 57 V 8.46 4.26 2.09 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 0.74 0.00 0.00 0.97 0.00 0.00 58 R 8.34 4.23 0.00 1.78 1.88 0.00 3.34 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 1.90 0.00 59 G 9.05 4.07 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 0.00 0.00 0.00 60 E 8.10 4.26 0.00 2.04 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 2.35 2.51 0.00 61 K 8.56 5.36 0.00 1.60 1.68 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.63 7.81 62 V 8.89 4.51 2.09 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 0.92 0.00 0.00 0.93 0.00 0.00 63 L 8.63 4.88 0.00 1.68 1.64 1.00 1.00 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 64 I 8.70 4.48 1.91 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.10 0.59 0.00 0.00 65 G 8.59 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 66 G 8.67 4.08 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 0.00 67 L 7.81 4.98 0.00 1.40 0.79 0.13 0.23 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 68 Q 8.96 4.84 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 69 F 9.21 5.00 0.00 2.99 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 70 T 8.45 5.07 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 1.29 0.00 0.00 71 V 8.96 3.94 2.27 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 1.02 0.00 0.00 0.95 0.00 0.00 72 A 9.05 4.43 1.33 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 73 R 7.80 4.65 0.00 1.86 1.77 0.00 3.13 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 1.62 1.64 0.00 74 A 8.65 5.26 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 75 D 9.20 5.00 0.00 2.83 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 76 N 8.78 4.65 0.00 2.85 2.99 0.00 0.00 5.71 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 77 R 7.88 4.52 0.00 2.01 1.96 0.00 3.27 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 78 R 9.02 4.58 0.00 1.75 1.51 0.00 3.11 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 79 L 8.30 4.61 0.00 1.59 1.50 0.96 0.97 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 80 H 9.46 4.86 0.00 3.22 3.28 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.77 5.09 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 1.28 0.00 0.00 82 L 9.13 5.49 0.00 1.70 1.71 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *84 A 8.51 4.58 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 85 T 8.60 5.30 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 1.17 0.00 0.00 86 R 8.68 4.66 0.00 1.85 1.97 0.00 3.40 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.06 0.00 87 V 8.37 3.89 2.09 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 0.63 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.