NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4442 8.1776 115.2919 58.2167 63.5120 174.5093 3 T 3.9534 8.4009 119.3494 64.2238 68.6077 175.2573 4 R 3.9858 8.1409 121.1115 59.1039 30.5033 180.1250 5 G 3.6223 8.1392 105.5299 47.8945 0.0000 175.4275 6 D 4.4309 8.1994 121.2952 57.1527 40.8007 178.7293 7 L 4.0024 8.0005 120.8201 58.0561 42.0490 179.0471 8 I 3.6900 7.9827 120.0228 64.1881 36.9356 178.3194 9 R 3.8868 8.2167 119.6586 59.5737 29.9911 178.6954 10 I 3.7490 7.8526 119.4770 64.4470 37.1443 178.4711 11 L 4.1613 8.2681 120.1367 57.6751 41.4275 179.8820 12 G 3.6083 8.2884 105.7577 47.8909 0.0000 175.7128 13 E 4.0233 8.5157 121.5160 59.0373 29.4613 179.4744 14 I 3.7819 8.0196 122.3680 65.0213 37.0976 178.9461 15 E 4.0188 8.2296 119.1222 61.0062 29.5261 180.5182 16 E 4.1171 8.2527 120.5110 59.2196 29.7260 179.2048 17 K 3.9895 8.1456 118.4321 59.5111 31.9906 179.1949 18 M 4.0572 8.5166 119.4415 58.6376 31.9020 178.5550 19 N 4.3466 8.4527 116.6918 56.3397 38.4928 177.2863 20 E 3.9878 8.3522 119.9576 59.3939 29.5921 179.5036 21 L 4.1350 8.0950 118.8763 57.7856 41.7653 179.4690 22 K 4.3806 8.1817 119.8918 59.4048 31.8417 179.2622 23 M 4.1549 8.0811 117.2838 58.2464 31.9424 177.7703 24 D 4.6741 7.6974 116.5658 54.7479 41.3650 177.2002 25 G 3.8286 8.0246 108.2806 44.9766 0.0000 173.8815 26 F 4.5981 8.1391 118.8479 56.7826 39.8949 174.3777 27 N 5.0986 9.5324 121.9760 50.3235 38.5556 170.7787 28 P 4.5631 0.0000 0.0000 62.7507 32.0235 176.3399 29 D 5.0219 8.9683 121.4225 53.1005 42.2336 175.6673 30 I 5.1203 7.6678 118.5936 59.5352 42.3064 173.7643 31 I 4.9295 8.8568 125.6748 59.2214 40.6254 174.2595 32 L 5.0258 9.2381 130.6536 54.4217 43.0832 175.8615 33 F 4.9923 9.4488 122.9666 55.3462 41.9570 175.8271 34 G 4.0856 8.9203 110.5285 46.0248 0.0000 174.7096 35 R 4.1023 8.9005 119.8773 59.6923 30.1824 178.6052 36 E 4.0734 8.2928 117.5328 59.3366 29.5170 179.0603 37 A 4.1669 8.4550 121.0903 55.3870 18.4469 179.1370 38 Y 3.9513 8.6117 118.1467 60.9104 38.8560 177.7073 39 N 4.2986 8.4894 117.4670 56.2185 38.6894 176.9545 40 F 4.0492 8.4017 121.9317 61.4530 39.4631 177.0123 41 L 3.8220 8.1719 119.8033 58.0007 41.7998 178.8352 42 S 3.8335 8.0025 113.5865 61.3285 62.3086 175.9098 43 N 4.2832 8.2382 119.5451 56.0251 38.1441 177.1613 44 L 3.6936 7.4017 121.6506 58.1144 42.1242 179.1286 45 L 3.6436 7.5795 118.9141 57.2398 41.2353 179.3654 46 K 4.4035 8.1218 120.3164 58.7846 31.8158 179.2233 47 K 3.8990 7.7079 118.2895 59.6093 32.2469 178.4640 48 E 4.0842 8.0112 117.6014 59.4490 29.6207 178.6329 49 M 4.1523 8.3189 116.8226 55.1102 33.1945 175.9019 50 E 3.9205 7.7328 118.2936 57.6381 27.8116 173.5222 51 E 4.8175 7.6933 118.3790 55.2702 33.9800 177.7637 *52 E 4.0570 8.7744 115.6075 56.2663 30.4917 178.4585 53 G 2.7562 7.7463 104.4932 43.8723 0.0000 171.0880 54 P 4.0336 0.0000 0.0000 62.2345 32.1657 175.1954 55 F 4.8456 8.2199 118.3298 56.1400 40.2867 176.1612 56 T 4.5939 8.6111 113.7850 61.5844 70.3135 173.2547 57 H 5.4219 8.0014 118.1238 54.4385 33.0663 172.8207 58 V 4.5048 8.6297 120.6759 61.6848 34.2750 174.7114 59 S 3.8106 9.5562 116.3451 59.9817 60.3287 172.7304 60 N 4.3478 8.6656 112.8678 53.6982 36.1908 173.7774 61 I 4.7794 7.7820 111.7294 58.7770 41.6727 174.0410 62 K 4.7183 8.5201 124.2553 55.6401 33.4730 175.5767 63 I 4.7195 8.4580 129.3530 61.1521 37.8911 175.2731 64 E 4.7955 9.2333 125.5421 54.5605 33.8931 174.6654 65 I 4.6433 8.2436 122.9009 60.3322 38.8713 175.4882 66 L 4.5231 8.8287 128.9145 52.7913 43.1200 176.2207 67 E 4.0924 8.9450 126.0385 59.4702 28.8328 179.5226 68 E 4.1810 8.1093 116.5208 58.2733 29.8779 178.1527 69 L 3.9139 8.2277 118.9512 54.9206 43.0458 178.2112 70 G 4.1007 7.2911 109.3126 47.0847 0.0000 175.2271 71 G 4.1469 8.7001 112.6373 46.3683 0.0000 171.2319 72 D 5.5359 8.2380 120.3633 52.3129 44.3672 174.9612 73 A 4.7244 8.7464 120.8959 50.3482 23.3450 175.4666 74 V 4.5705 8.5392 118.7786 61.0497 34.8507 174.7634 75 V 4.3886 8.7885 129.7271 62.5998 32.6609 174.8886 76 I 5.0049 9.0218 120.8164 59.1659 41.8735 174.1654 77 D 5.0105 8.7011 124.1760 52.9672 41.0620 177.2006 78 S 4.2897 9.6166 122.4885 60.3796 63.5830 175.9736 79 K 4.0963 8.1649 122.0585 58.7441 32.0957 177.6833 80 V 4.3162 7.8280 109.1583 60.4961 32.4434 174.9765 81 L 4.0425 7.6303 123.0891 56.6382 42.0408 177.4049 82 G 4.0374 9.1074 114.2038 45.3989 0.0000 173.4436 83 L 4.5109 8.0515 118.4875 54.9068 43.4994 177.0168 84 V 4.4306 7.5015 117.8889 59.9262 33.7504 172.8425 85 P 4.3487 0.0000 0.0000 64.3309 31.5240 176.5883 86 G 3.8617 8.9826 109.4575 45.4131 0.0000 174.1033 87 A 3.0871 7.3911 120.9285 51.7128 18.3193 176.8491 88 A 5.0545 7.1880 117.1361 50.7867 22.5022 176.6463 89 K 4.4319 8.8680 120.4633 54.6485 35.9892 175.6676 90 R 4.8752 8.6477 125.9351 55.4328 31.4038 175.3235 91 I 4.6667 8.9237 118.0402 58.9212 41.5496 173.8707 92 K 4.7956 8.3995 125.0607 55.3085 32.3232 176.0202 93 I 4.1898 8.5224 129.3757 63.5832 37.9163 177.1888 94 I 2.8344 7.6143 113.7824 59.9549 38.2550 175.8859 95 K 4.2616 7.5001 120.7491 56.6489 31.6257 176.1852 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 2 S 8.18 4.44 0.00 3.87 3.82 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 3 T 8.40 3.95 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 1.15 0.00 0.00 4 R 8.14 3.99 0.00 1.86 2.00 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.96 0.00 5 G 8.14 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 6 D 8.20 4.43 0.00 2.94 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 7 L 8.00 4.00 0.00 1.69 1.77 0.85 0.79 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 8 I 7.98 3.69 2.01 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 1.40 0.62 0.92 0.00 0.00 9 R 8.22 3.89 0.00 1.89 2.19 0.00 3.22 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 10 I 7.85 3.75 1.94 0.00 0.00 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 1.63 0.95 1.03 0.00 0.00 11 L 8.27 4.16 0.00 1.69 1.73 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.29 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.52 4.02 0.00 2.14 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 2.32 2.48 0.00 14 I 8.02 3.78 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.70 0.96 0.00 0.00 15 E 8.23 4.02 0.00 1.99 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 2.24 2.19 0.00 16 E 8.25 4.12 0.00 2.15 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 2.47 2.36 0.00 17 K 8.15 3.99 0.00 1.80 1.81 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.58 7.81 18 M 8.52 4.06 0.00 2.03 2.34 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.61 0.00 19 N 8.45 4.35 0.00 2.86 2.88 0.00 0.00 7.09 8.23 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 20 E 8.35 3.99 0.00 2.24 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 2.34 2.44 0.00 21 L 8.10 4.14 0.00 1.89 1.80 0.85 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.18 4.38 0.00 1.98 1.91 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.52 7.81 23 M 8.08 4.15 0.00 2.01 2.36 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.75 0.00 24 D 7.70 4.67 0.00 3.12 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 25 G 8.02 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 26 F 8.14 4.60 0.00 3.17 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 27 N 9.53 5.10 0.00 2.62 2.86 0.00 0.00 7.18 8.33 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 28 P 0.00 4.56 0.00 2.24 2.08 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 29 D 8.97 5.02 0.00 2.75 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 0.00 30 I 7.67 5.12 1.90 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 1.26 0.59 1.00 0.00 0.00 31 I 8.86 4.93 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.57 1.29 0.00 0.00 32 L 9.24 5.03 0.00 1.58 1.60 0.91 0.86 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 33 F 9.45 4.99 0.00 3.06 3.14 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 34 G 8.92 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 0.00 0.00 0.00 35 R 8.90 4.10 0.00 2.09 2.00 0.00 3.24 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 36 E 8.29 4.07 0.00 2.18 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 2.43 2.49 0.00 37 A 8.45 4.17 1.59 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 38 Y 8.61 3.95 0.00 3.23 3.22 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 39 N 8.49 4.30 0.00 3.05 2.93 0.00 0.00 6.69 7.53 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 40 F 8.40 4.05 0.00 3.23 3.27 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 41 L 8.17 3.82 0.00 1.97 1.43 0.85 0.53 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 42 S 8.00 3.83 0.00 3.22 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 43 N 8.24 4.28 0.00 2.69 2.72 0.00 0.00 6.68 7.10 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 44 L 7.40 3.69 0.00 1.56 1.49 0.58 0.52 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 45 L 7.58 3.64 0.00 0.27 0.45 0.26 0.51 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 46 K 8.12 4.40 0.00 1.92 1.93 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.83 1.89 7.81 47 K 7.71 3.90 0.00 1.76 1.88 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.44 7.81 48 E 8.01 4.08 0.00 1.93 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 2.38 2.40 0.00 49 M 8.32 4.15 0.00 2.11 2.22 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 2.52 2.65 0.00 50 E 7.73 3.92 0.00 2.01 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 2.26 2.41 0.00 51 E 7.69 4.82 0.00 2.13 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 2.33 2.31 0.00 *52 E 8.77 4.06 0.00 1.98 1.86 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 2.20 1.87 0.00 53 G 7.75 2.76 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 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.03 0.00 2.12 2.00 0.00 3.59 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 55 F 8.22 4.85 0.00 3.10 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 56 T 8.61 4.59 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 1.19 0.00 0.00 57 H 8.00 5.42 0.00 3.12 3.29 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 58 V 8.63 4.50 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 0.89 0.00 0.00 0.99 0.00 0.00 59 S 9.56 3.81 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 60 N 8.67 4.35 0.00 2.89 2.96 0.00 0.00 6.93 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.78 4.78 1.98 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 1.27 1.04 0.99 0.00 0.00 62 K 8.52 4.72 0.00 1.96 1.85 0.00 1.37 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.43 7.81 63 I 8.46 4.72 1.88 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 1.26 0.71 0.88 0.00 0.00 64 E 9.23 4.80 0.00 1.88 1.79 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 2.23 2.41 0.00 65 I 8.24 4.64 1.79 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.49 0.96 0.00 0.00 66 L 8.83 4.52 0.00 1.74 1.53 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.94 4.09 0.00 2.05 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 2.41 2.31 0.00 68 E 8.11 4.18 0.00 2.08 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 2.40 2.40 0.00 69 L 8.23 3.91 0.00 1.82 1.67 0.92 0.55 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 70 G 7.29 4.10 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 0.00 0.00 0.00 71 G 8.70 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 0.00 0.00 0.00 0.00 72 D 8.24 5.54 0.00 2.69 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 73 A 8.75 4.72 0.28 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 74 V 8.54 4.57 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 0.67 0.00 0.00 0.86 0.00 0.00 75 V 8.79 4.39 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 0.89 0.00 0.00 0.90 0.00 0.00 76 I 9.02 5.00 1.84 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 1.26 0.61 0.87 0.00 0.00 77 D 8.70 5.01 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 9.62 4.29 0.00 3.98 4.06 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 79 K 8.16 4.10 0.00 1.81 2.06 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.43 7.81 80 V 7.83 4.32 2.22 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 0.75 0.00 0.00 1.24 0.00 0.00 81 L 7.63 4.04 0.00 1.80 1.60 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 82 G 9.11 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 83 L 8.05 4.51 0.00 1.78 1.73 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.50 4.43 2.34 0.00 0.00 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 0.96 0.00 0.00 85 P 0.00 4.35 0.00 2.13 2.00 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 86 G 8.98 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 87 A 7.39 3.09 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 88 A 7.19 5.05 1.10 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 0.00 0.00 89 K 8.87 4.43 0.00 1.56 1.61 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.70 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.44 7.81 90 R 8.65 4.88 0.00 1.76 1.76 0.00 3.13 0.00 0.00 3.48 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 91 I 8.92 4.67 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.02 0.86 0.00 0.00 92 K 8.40 4.80 0.00 1.72 1.69 0.00 1.53 0.00 0.00 0.61 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.36 7.81 93 I 8.52 4.19 2.01 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 1.09 0.74 1.20 0.00 0.00 94 I 7.61 2.83 1.54 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.35 0.72 0.00 0.00 95 K 7.50 4.26 0.00 1.92 1.72 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.06 7.81 * Residues marked with a * may have inaccurate shift predictions.