NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 5.1944 8.3481 122.2787 51.1330 21.2950 176.8087 3 Q 4.6599 7.0315 110.6130 55.4833 30.7304 168.8946 4 K 4.5399 8.3559 118.6089 57.4875 36.4490 176.6419 5 T 5.0158 8.3830 112.4295 63.2010 72.3871 172.8815 6 F 4.7795 11.2195 122.7508 56.3054 44.4144 173.8917 7 T 5.5094 8.6559 109.8161 57.9235 69.2326 171.9831 8 V 3.6815 8.2310 127.8490 63.0193 31.4745 176.8298 9 T 4.0676 8.7129 115.4141 62.2213 70.0903 174.6388 10 A 4.1303 7.8874 125.4207 51.5895 17.5843 177.4681 11 D 4.5411 8.7712 122.7877 56.1894 39.6988 177.2420 12 S 4.6558 7.6547 114.5731 62.5856 64.3373 176.9072 13 G 4.2167 7.1999 111.6847 46.6149 0.0000 178.1545 14 I 4.4973 8.2852 130.7373 59.4673 38.5231 173.6518 15 H 4.3250 8.2818 123.3192 56.4058 32.1064 171.9872 16 A 3.4023 8.6144 121.4622 54.0033 18.7111 176.9846 17 R 3.9784 8.5342 113.3183 59.3651 30.1759 176.9448 18 P 3.8004 0.0000 0.0000 65.3000 31.2847 178.0841 19 A 4.1829 8.2770 119.7918 55.0283 18.9069 179.3844 20 T 4.0707 7.6349 110.8503 65.6264 68.8510 176.5557 21 T 4.0744 8.9305 120.2007 66.5873 68.7173 176.8308 22 L 3.9896 7.6050 119.4548 57.7390 41.4489 179.7290 23 V 3.9062 7.3833 118.3771 65.7289 31.5355 177.0825 24 Q 3.9899 8.4028 117.6680 57.3572 28.1026 178.2131 25 A 3.8538 8.4563 121.6150 55.6642 20.1194 179.9848 26 A 3.8510 8.2861 119.4443 55.2048 19.0439 179.2327 27 S 4.3833 8.8784 112.1623 61.9819 64.6200 176.1769 28 K 3.5338 9.3217 109.4717 59.9863 32.1999 179.9046 29 F 3.2981 8.0700 118.2066 56.6403 41.6161 176.3497 30 D 5.0484 8.5272 135.0000 55.3983 42.5065 175.3630 31 S 4.8797 7.4439 114.4272 58.1011 65.6222 173.4380 32 D 5.0221 8.9750 124.4880 52.8273 37.9018 176.1787 33 I 4.4723 7.4086 120.6358 61.4524 38.5130 175.9480 34 N 4.4735 7.8736 117.6089 52.9575 42.8755 173.3281 35 L 4.8517 8.6391 123.3887 53.3382 45.1261 174.6712 36 E 5.4346 9.4057 128.1328 53.9702 31.1463 174.2047 37 F 4.7968 8.7207 129.6659 57.4231 42.0819 174.0963 38 N 3.4889 9.5561 118.6298 55.0234 35.5730 172.0214 39 G 4.0006 7.7065 109.9324 45.0686 0.0000 171.8482 40 K 3.9174 7.4292 116.0740 56.4147 33.6044 176.0933 41 T 5.0920 7.7645 110.8388 64.0586 72.5949 172.4224 42 V 4.7884 8.0328 126.7843 60.2915 34.8426 174.2816 43 N 4.9106 8.7952 122.5644 52.8898 36.7423 174.6170 44 L 4.2334 8.5687 121.2716 56.5161 42.8866 177.9302 45 K 3.9311 7.6208 119.2067 56.6518 31.0515 178.1123 *47 I 4.0604 7.3281 119.2260 60.7964 39.8300 176.8748 48 M 3.8965 7.7983 118.8042 58.5808 31.8237 178.8370 49 G 4.2557 8.1106 104.1866 47.5480 0.0000 175.0234 50 V 3.6209 7.8867 120.5254 65.6011 31.6973 177.6032 51 M 3.8663 8.0007 117.8704 58.8004 31.8311 179.0448 52 S 4.1594 9.3014 114.4480 61.1950 62.9467 175.8710 53 L 4.3013 7.9777 120.6209 54.0753 42.3974 177.5258 54 G 3.7433 7.0597 101.6565 46.5720 0.0000 172.0478 55 I 3.6320 6.9173 124.9749 59.0658 36.7524 176.4094 56 Q 4.3326 7.9200 122.9974 55.3532 29.6687 176.3505 57 K 4.2593 8.5386 120.4194 56.9537 31.3089 177.3784 58 G 4.2126 8.1786 124.0360 45.3940 0.0000 171.9277 59 A 4.0099 7.3161 120.3877 48.9430 21.9820 176.9080 60 T 5.0870 8.2307 109.6417 60.6333 70.2356 174.2648 61 I 4.9626 10.6724 117.5335 59.4417 41.8488 174.2879 62 T 4.9552 8.6900 118.3106 61.9699 72.1697 174.1276 63 I 4.2249 7.9792 126.7792 61.5181 38.6371 176.6781 64 S 4.5435 8.6178 119.7889 57.0706 65.3188 171.6526 65 A 4.7994 8.2744 124.4787 50.5148 20.2985 176.8222 66 E 4.3117 8.7570 122.5783 59.0652 32.9856 172.8220 67 G 3.7734 10.3184 110.6912 45.0492 0.0000 173.6414 68 S 3.6965 7.7458 117.4441 60.4266 64.2176 172.9187 69 D 5.0217 10.6100 120.6045 51.9104 42.2752 176.7918 70 E 4.1236 9.3519 116.3680 57.4929 28.7705 180.0816 71 A 3.7715 7.7341 123.5544 54.9986 20.6720 179.1150 72 D 4.4539 7.7031 113.9069 57.7408 40.7251 178.9288 73 A 2.5800 9.2325 122.3069 54.4512 18.5170 179.3664 74 L 3.2333 7.6044 117.7648 57.7348 41.9470 178.5308 75 A 4.4013 7.5171 119.2010 53.5893 19.9074 178.7628 76 A 4.0526 8.1595 118.8375 54.9822 18.6223 179.7606 77 L 3.9461 8.7250 118.7158 57.9130 41.7457 178.9711 78 E 3.7900 7.7822 118.1439 59.9034 29.2046 179.3839 79 D 4.3884 7.9681 116.9200 56.9785 41.3135 178.0749 80 T 3.8410 8.6428 115.4718 65.2696 67.3037 176.3600 81 M 4.0925 7.7499 118.7322 58.2073 31.2791 178.3626 82 S 3.8264 7.7015 114.6840 60.8073 63.3052 176.1110 83 K 4.1484 7.3705 122.6373 58.9505 31.9611 177.5766 84 E 4.5903 7.7599 116.5101 55.8993 30.1036 176.6206 85 G 3.9820 7.9658 104.8946 46.5558 0.0000 175.1322 86 L 4.4799 8.6227 123.3491 53.3842 42.8296 176.1885 87 G 4.0992 8.5047 111.3285 47.1620 0.0000 172.8277 88 E 4.6536 8.6960 118.4119 56.9791 29.6727 175.4421 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 A 8.35 5.19 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 3 Q 7.03 4.66 0.00 2.53 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.63 0.00 0.00 0.00 0.00 0.00 2.11 2.43 0.00 4 K 8.36 4.54 0.00 2.00 1.93 0.00 1.83 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.98 1.57 7.81 5 T 8.38 5.02 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 6 F 11.22 4.78 0.00 2.95 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 7 T 8.66 5.51 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 1.19 0.00 0.00 8 V 8.23 3.68 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.01 0.00 0.00 9 T 8.71 4.07 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 1.31 0.00 0.00 10 A 7.89 4.13 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 11 D 8.77 4.54 0.00 2.80 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.65 4.66 0.00 3.97 3.90 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 13 G 7.20 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 0.00 0.00 0.00 0.00 14 I 8.29 4.50 1.74 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.84 0.85 0.00 0.00 15 H 8.28 4.33 0.00 3.06 3.16 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.61 3.40 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.53 3.98 0.00 1.86 2.00 0.00 3.16 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 18 P 0.00 3.80 0.00 2.28 2.13 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 19 A 8.28 4.18 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 20 T 7.63 4.07 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 21 T 8.93 4.07 4.39 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 1.31 0.00 0.00 22 L 7.60 3.99 0.00 1.74 1.65 0.92 0.70 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 23 V 7.38 3.91 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 1.04 0.00 0.00 0.94 0.00 0.00 24 Q 8.40 3.99 0.00 2.64 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.35 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 25 A 8.46 3.85 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 26 A 8.29 3.85 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 27 S 8.88 4.38 0.00 4.05 3.99 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 28 K 9.32 3.53 0.00 2.12 1.45 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.71 7.81 29 F 8.07 3.30 0.00 3.18 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 30 D 8.53 5.05 0.00 2.63 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 31 S 7.44 4.88 0.00 3.96 3.77 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 32 D 8.98 5.02 0.00 2.57 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 33 I 7.41 4.47 1.85 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 1.00 0.82 0.00 0.00 34 N 7.87 4.47 0.00 2.71 2.64 0.00 0.00 6.21 6.74 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 35 L 8.64 4.85 0.00 1.67 1.48 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.41 5.43 0.00 2.18 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 2.23 2.22 0.00 37 F 8.72 4.80 0.00 3.07 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 38 N 9.56 3.49 0.00 1.88 2.27 0.00 0.00 7.19 7.98 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 39 G 7.71 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 40 K 7.43 3.92 0.00 2.09 1.85 0.00 1.84 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.73 7.81 41 T 7.76 5.09 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 1.38 0.00 0.00 42 V 8.03 4.79 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 1.05 0.00 0.00 0.96 0.00 0.00 43 N 8.80 4.91 0.00 2.74 2.84 0.00 0.00 6.33 7.79 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 44 L 8.57 4.23 0.00 1.74 1.64 0.83 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.62 3.93 0.00 2.02 1.83 0.00 1.81 0.00 0.00 1.83 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.73 1.37 7.81 *47 I 7.33 4.06 1.86 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 1.40 1.21 0.90 0.00 0.00 48 M 7.80 3.90 0.00 2.08 2.10 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 2.69 2.65 0.00 49 G 8.11 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 0.00 0.00 0.00 0.00 50 V 7.89 3.62 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 1.00 0.00 0.00 0.88 0.00 0.00 51 M 8.00 3.87 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 52 S 9.30 4.16 0.00 4.03 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 53 L 7.98 4.30 0.00 1.59 1.44 0.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.06 3.74 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 0.00 0.00 0.00 55 I 6.92 3.63 1.65 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 -0.36 0.95 0.00 0.00 56 Q 7.92 4.33 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.09 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 57 K 8.54 4.26 0.00 1.93 1.82 0.00 1.98 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.59 7.81 58 G 8.18 4.21 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 0.00 0.00 0.00 59 A 7.32 4.01 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 60 T 8.23 5.09 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 1.24 0.00 0.00 61 I 10.67 4.96 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.14 1.17 0.00 0.00 62 T 8.69 4.96 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 63 I 7.98 4.22 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.56 0.81 0.00 0.00 64 S 8.62 4.54 0.00 3.82 3.73 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 65 A 8.27 4.80 1.21 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 0.00 0.00 66 E 8.76 4.31 0.00 1.86 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 2.31 2.27 0.00 67 G 10.32 3.77 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 0.00 0.00 0.00 68 S 7.75 3.70 0.00 4.06 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 0.00 69 D 10.61 5.02 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.35 4.12 0.00 2.07 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 2.48 2.28 0.00 71 A 7.73 3.77 1.35 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 72 D 7.70 4.45 0.00 3.32 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 73 A 9.23 2.58 0.62 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 74 L 7.60 3.23 0.00 1.72 1.88 1.03 1.35 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 75 A 7.52 4.40 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 76 A 8.16 4.05 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.73 3.95 0.00 1.45 1.50 0.60 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.78 3.79 0.00 2.11 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 2.91 2.75 0.00 79 D 7.97 4.39 0.00 3.02 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 80 T 8.64 3.84 4.33 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 1.17 0.00 0.00 81 M 7.75 4.09 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.36 0.00 82 S 7.70 3.83 0.00 4.07 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.37 4.15 0.00 2.06 2.01 0.00 1.69 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.53 7.81 84 E 7.76 4.59 0.00 2.10 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 2.40 2.45 0.00 85 G 7.97 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.62 4.48 0.00 1.54 1.57 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.50 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 88 E 8.70 4.65 0.00 1.99 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 2.11 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.