NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.3488 8.4145 122.1404 53.8601 33.5935 176.4281 8 P 4.2433 0.0000 0.0000 64.8396 30.9316 177.3820 9 K 4.5007 8.2659 118.6996 54.7223 32.9915 178.9523 10 K 4.3102 7.9812 124.4688 55.7385 33.2121 183.3202 11 E 4.1932 8.4376 115.3426 55.0128 28.7635 177.9818 12 A 3.9313 8.2767 119.9005 53.8324 16.8248 177.7604 13 Q 4.4217 7.7677 115.5382 56.3300 28.7435 180.8478 14 R 4.2171 7.8991 119.3685 57.4925 28.2333 181.2688 15 R 4.5502 8.1040 124.8521 52.9222 30.9751 171.6149 16 P 4.5268 0.0000 0.0000 64.8930 28.6886 176.6112 17 S 3.9697 9.0338 117.8563 59.1602 59.5784 176.1021 18 R 3.5403 8.0525 120.4084 54.1547 28.0303 175.7036 19 K 3.7353 8.3961 121.9518 54.8774 31.9797 177.9799 20 A 3.7391 8.2017 127.9738 53.8680 16.0292 177.8778 21 K 4.2109 8.2906 122.7156 57.1882 29.3497 184.8844 22 V 2.7614 7.1355 122.2643 60.4964 33.8754 172.8457 23 K 4.5219 7.4833 122.3236 53.4901 34.5052 178.7181 24 A 3.5916 8.7874 122.5889 54.2897 16.3392 177.5628 25 T 3.1009 8.7158 116.7318 63.1665 64.8975 176.7747 26 L 3.8343 9.1924 128.1944 53.1874 39.6316 172.6778 27 G 3.9213 8.6621 105.2550 48.0340 0.0000 172.7586 28 E 3.6286 9.0614 124.6468 56.6595 26.1095 169.4217 *29 F 4.5335 8.1846 122.4039 55.3195 41.2138 174.4202 30 D 4.5454 8.7566 127.9325 53.1466 39.9635 173.6416 31 L 4.8503 8.4720 115.8947 55.8459 42.7604 176.1486 32 R 4.6652 7.9239 118.4626 57.4764 30.1292 182.2496 33 D 4.7834 7.9815 123.0456 53.3044 39.2294 178.7875 *34 Y 4.6754 8.1602 130.3639 56.5843 37.5515 175.3401 35 R 4.8355 7.9502 121.3096 59.0022 37.0678 180.6962 36 N 4.6385 8.3312 117.2115 55.1472 36.4072 181.8248 37 V 3.2510 8.9691 121.0868 65.9953 31.8523 182.2967 38 E 3.9717 7.1183 122.0573 60.5243 31.2127 182.2238 39 V 4.1846 8.1984 123.0196 66.1020 32.0412 180.7644 40 L 4.2537 8.1703 126.3283 60.0405 40.4939 181.9111 41 K 3.7781 8.2885 125.1715 59.9760 31.5264 180.5579 42 R 4.5526 8.0929 119.9821 60.5479 30.7783 183.0034 *43 F 4.7491 8.5903 120.8548 55.6475 37.2582 181.3125 44 L 4.6078 7.2523 122.9112 53.8977 45.1285 178.3158 45 S 4.4697 9.1550 123.1370 57.2633 63.0103 172.9600 46 E 3.9327 8.7794 115.1236 60.9451 29.2276 174.2443 47 T 4.7623 7.4976 108.9378 58.6599 71.4546 179.7806 48 G 4.0022 8.5365 108.1619 46.6669 0.0000 174.9038 49 K 4.1678 9.7069 125.9419 53.5181 31.0458 180.0377 50 I 3.9336 8.4414 125.3926 60.0347 35.7068 173.9564 51 L 4.3076 8.3730 127.2870 53.0044 42.0064 173.2600 52 P 4.7210 0.0000 0.0000 62.7082 32.4987 178.5263 53 R 4.0927 8.8251 115.0748 61.8535 29.6154 174.9305 54 R 4.1460 8.0341 118.5452 59.7131 30.6209 179.3262 55 R 4.5929 7.4365 123.7767 55.2245 28.3402 183.8506 56 T 3.1909 9.2108 107.4349 60.9529 68.9413 169.6432 57 G 3.3523 5.3800 113.1430 46.9611 0.0000 174.0802 58 L 4.7785 7.7835 120.6320 52.7899 45.1296 178.6314 59 S 4.9433 8.0984 113.9731 56.8097 66.0104 175.0643 60 G 3.7520 9.3266 104.6730 51.0100 0.0000 176.1678 61 K 3.9961 9.6754 131.2075 61.0247 32.2127 179.6722 62 E 4.1513 8.0758 119.4142 62.3696 29.5209 182.8207 63 Q 4.3786 8.3456 123.1139 60.8447 28.1570 181.8655 64 R 4.3483 7.7295 124.0856 61.9493 29.2072 181.9298 65 I 4.2029 8.2689 121.9117 65.4253 35.8605 182.0225 66 L 4.1512 7.9459 123.6941 59.6828 40.6322 181.0496 67 A 4.2101 8.6333 124.6184 55.3752 18.0171 180.3437 68 K 3.9258 8.0304 124.3373 60.3173 31.6420 181.5233 69 T 4.2459 7.9671 115.1036 66.7649 69.0263 182.7776 70 I 3.9476 8.2774 126.0529 65.7240 35.1691 181.0818 71 K 4.2831 8.3007 126.6911 60.6260 31.4171 183.1959 72 R 4.1700 7.2604 121.0124 60.8228 29.3766 180.4814 73 A 4.3802 8.2533 122.4152 56.2517 18.4376 180.3540 74 R 4.4182 8.0417 122.9916 61.8324 29.1493 181.4690 75 I 4.0474 7.5753 121.9021 64.9142 35.7110 180.0976 76 L 4.6938 8.1149 120.8586 56.0107 40.5930 182.1889 77 G 4.0246 8.0516 108.6024 47.9839 0.0000 176.1322 78 L 4.0836 7.7242 121.9341 56.9798 41.3557 181.8609 79 L 4.7440 7.6280 121.6099 52.2095 43.2471 176.8576 80 P 4.8257 0.0000 0.0000 62.7037 31.9872 178.9488 *81 F 4.3024 8.7203 119.2741 59.7846 38.6274 178.4894 82 T 4.6152 7.7450 115.1148 59.5871 71.6319 175.3326 83 E 4.8038 8.6398 124.9332 52.9801 32.8626 173.1187 84 K 4.1734 8.6137 124.3379 55.4398 32.3851 177.2386 85 L 4.7524 8.3524 120.7880 53.7774 43.0520 177.9735 86 V 4.1591 8.3861 123.1976 60.0305 33.0928 174.7843 87 R 4.1081 8.8430 122.7924 56.6038 28.5266 174.8686 88 K 4.3305 8.4937 116.1607 56.0865 31.5016 176.3730 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 K 8.41 4.35 0.00 1.79 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 8 P 0.00 4.24 0.00 2.17 1.98 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.65 0.00 9 K 8.27 4.50 0.00 1.76 1.71 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 0.99 7.81 10 K 7.98 4.31 0.00 1.66 1.82 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 0.98 7.81 11 E 8.44 4.19 0.00 2.07 2.13 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 2.19 1.86 0.00 12 A 8.28 3.93 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 13 Q 7.77 4.42 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.06 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 14 R 7.90 4.22 0.00 1.83 1.81 0.00 3.17 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 15 R 8.10 4.55 0.00 1.76 1.71 0.00 3.25 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 16 P 0.00 4.53 0.00 1.99 2.01 0.00 3.80 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 1.60 0.00 17 S 9.03 3.97 0.00 3.69 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 18 R 8.05 3.54 0.00 1.95 1.73 0.00 3.37 0.00 0.00 3.26 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 0.00 19 K 8.40 3.74 0.00 1.84 1.82 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 0.99 7.81 20 A 8.20 3.74 1.36 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 0.00 0.00 0.00 21 K 8.29 4.21 0.00 1.71 1.72 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.32 7.81 22 V 7.14 2.76 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 0.84 0.00 0.00 0.93 0.00 0.00 23 K 7.48 4.52 0.00 1.70 1.64 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 0.97 7.81 24 A 8.79 3.59 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 25 T 8.72 3.10 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 26 L 9.19 3.83 0.00 1.84 1.68 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.66 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 0.00 0.00 0.00 0.00 28 E 9.06 3.63 0.00 2.14 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 2.13 1.85 0.00 *29 F 8.18 4.53 0.00 2.23 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 0.00 0.00 0.00 0.00 30 D 8.76 4.55 0.00 2.68 2.56 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 0.00 0.00 0.00 31 L 8.47 4.85 0.00 1.60 1.52 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.92 4.67 0.00 1.77 1.76 0.00 3.22 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 33 D 7.98 4.78 0.00 2.59 2.61 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 *34 Y 8.16 4.68 0.00 2.33 2.19 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 35 R 7.95 4.84 0.00 1.68 1.88 0.00 3.23 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 36 N 8.33 4.64 0.00 2.82 2.82 0.00 0.00 7.13 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 37 V 8.97 3.25 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 0.70 0.00 0.00 0.93 0.00 0.00 38 E 7.12 3.97 0.00 2.09 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 2.22 2.00 0.00 39 V 8.20 4.18 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 0.72 0.00 0.00 0.93 0.00 0.00 40 L 8.17 4.25 0.00 1.62 1.73 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.29 3.78 0.00 1.84 1.80 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.11 7.81 42 R 8.09 4.55 0.00 1.91 1.86 0.00 3.22 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 *43 F 8.59 4.75 0.00 2.24 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 0.00 0.00 0.00 0.00 44 L 7.25 4.61 0.00 1.61 1.41 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 S 9.16 4.47 0.00 3.59 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 46 E 8.78 3.93 0.00 1.97 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 2.24 1.92 0.00 47 T 7.50 4.76 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 48 G 8.54 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 0.00 0.00 0.00 49 K 9.71 4.17 0.00 1.71 1.75 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.37 1.25 7.81 50 I 8.44 3.93 1.87 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 1.27 1.10 0.91 0.00 0.00 51 L 8.37 4.31 0.00 1.66 1.49 0.92 0.86 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 52 P 0.00 4.72 0.00 1.99 2.00 0.00 3.69 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 2.02 1.58 0.00 53 R 8.83 4.09 0.00 1.82 1.87 0.00 3.27 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 54 R 8.03 4.15 0.00 1.82 1.89 0.00 3.22 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 55 R 7.44 4.59 0.00 1.84 1.35 0.00 3.32 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 56 T 9.21 3.19 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 57 G 5.38 3.35 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 0.00 0.00 0.00 58 L 7.78 4.78 0.00 1.63 1.41 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.10 4.94 0.00 3.63 3.80 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 60 G 9.33 3.75 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 0.00 0.00 0.00 61 K 9.68 4.00 0.00 1.77 1.88 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.12 7.81 62 E 8.08 4.15 0.00 2.01 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 2.25 2.21 0.00 63 Q 8.35 4.38 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 64 R 7.73 4.35 0.00 1.64 1.99 0.00 3.22 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 65 I 8.27 4.20 1.87 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 1.38 0.56 0.91 0.00 0.00 66 L 7.95 4.15 0.00 1.64 1.75 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.63 4.21 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 68 K 8.03 3.93 0.00 1.73 1.88 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.36 7.81 69 T 7.97 4.25 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 70 I 8.28 3.95 1.87 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 1.38 0.53 0.91 0.00 0.00 71 K 8.30 4.28 0.00 1.77 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 72 R 7.26 4.17 0.00 2.04 1.88 0.00 3.23 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 73 A 8.25 4.38 1.38 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 0.00 0.00 0.00 74 R 8.04 4.42 0.00 1.85 1.97 0.00 3.26 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.39 0.00 75 I 7.58 4.05 1.87 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 1.38 1.10 0.91 0.00 0.00 76 L 8.11 4.69 0.00 1.63 1.67 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.05 4.02 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 0.00 0.00 0.00 78 L 7.72 4.08 0.00 1.82 1.58 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.63 4.74 0.00 1.55 1.55 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.83 0.00 1.99 1.94 0.00 3.68 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 2.01 1.58 0.00 *81 F 8.72 4.30 0.00 2.29 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 0.00 0.00 0.00 0.00 82 T 7.74 4.62 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 83 E 8.64 4.80 0.00 1.94 1.71 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 2.12 1.83 0.00 84 K 8.61 4.17 0.00 1.77 1.64 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.01 7.81 85 L 8.35 4.75 0.00 1.63 1.45 0.92 0.77 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 86 V 8.39 4.16 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 0.93 0.00 0.00 87 R 8.84 4.11 0.00 2.01 1.91 0.00 3.29 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.18 0.00 88 K 8.49 4.33 0.00 1.96 1.78 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.22 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.