NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.1574 8.2833 119.4249 53.2883 41.8215 174.3909 12 N 4.8796 8.0588 116.1045 52.3802 39.4891 169.3489 13 V 4.5522 9.7479 115.9146 59.5211 36.7044 174.8491 14 G 3.8268 7.8127 107.5389 43.2776 0.0000 170.8790 15 P 4.6752 0.0000 0.0000 62.1710 33.4555 175.1258 16 I 4.9558 8.6708 121.8854 59.7210 40.0426 174.7231 17 I 5.0463 8.8551 127.5342 59.0179 40.9269 175.1617 18 R 3.9717 8.9428 126.2457 55.9594 30.7433 175.8380 19 A 3.8540 8.0824 126.8781 51.8855 19.1533 178.6326 20 G 3.7498 8.0707 107.4607 45.7200 0.0000 172.3091 21 D 4.5874 8.2099 118.7441 55.8211 41.4331 177.3564 22 L 4.2142 7.7678 118.8674 56.5270 42.5149 179.2390 23 V 3.5433 7.8266 118.5846 65.9813 31.3794 177.5466 24 E 3.8865 8.0707 118.5039 58.8072 29.4941 176.5299 25 P 4.1580 0.0000 0.0000 65.7942 31.2811 178.7094 26 V 3.5657 7.8697 116.8119 65.8382 31.4217 178.1378 27 I 3.6904 8.0009 119.8519 64.5389 36.9707 178.3255 28 E 3.9753 8.4244 119.5839 59.6577 29.2746 179.5080 29 T 3.8513 8.2288 115.8826 66.5032 68.6309 176.4162 30 A 4.0331 8.3506 123.0020 55.2532 18.1877 179.6154 31 E 3.9894 7.9326 115.7436 59.5949 29.6558 179.4128 32 I 3.8824 7.9243 118.8244 64.3584 37.3661 177.5603 33 D 4.7460 8.2827 116.3310 54.2168 41.9920 176.3906 34 N 5.1028 7.6407 115.9146 50.7309 39.0260 172.4185 35 P 4.2167 0.0000 0.0000 64.1511 32.2812 177.1017 36 G 3.9429 8.8723 107.9733 46.3014 0.0000 173.2050 37 K 4.6247 7.5763 116.9328 53.9246 35.4852 176.2350 38 E 4.1631 8.7996 123.0521 56.2886 30.1412 175.9751 39 I 4.6403 8.2227 123.9925 59.9918 39.2959 174.9570 40 T 4.5069 8.9488 124.2767 61.9997 70.5385 173.8382 41 V 4.6211 8.4131 125.9109 61.1948 33.8120 174.3091 42 E 4.4160 9.4739 130.9313 54.7035 31.0851 174.5342 43 D 4.8397 8.6547 128.5147 52.9715 41.3233 175.4645 44 R 4.3781 8.7280 124.7641 55.9709 30.3528 177.6634 45 R 4.3909 8.8982 123.4156 56.9379 29.2079 177.7652 46 A 4.1364 7.7315 119.1756 54.3797 19.2739 176.1902 47 Y 5.2592 7.6234 111.3308 56.6617 43.2632 174.4002 48 V 4.8778 9.0216 120.2092 61.3211 35.2475 173.9093 49 R 4.9385 9.0389 128.4719 54.8540 32.0069 174.6031 50 I 5.0256 8.5818 126.8326 59.5423 40.0121 174.5463 51 A 4.9646 9.1335 127.4092 50.6351 23.1134 174.5737 52 A 4.9655 8.7835 120.0795 49.9171 23.3757 175.4531 53 E 4.1998 8.7334 119.5257 57.8769 29.8852 176.4379 54 G 4.4507 11.3000 119.7452 44.8913 0.0000 172.6817 55 E 5.4241 7.4910 115.4442 54.6301 32.7274 173.8816 56 L 4.8783 9.3140 123.2412 53.9132 45.4695 174.7319 57 I 4.9507 9.0725 127.7364 59.7629 39.2254 175.3549 58 L 4.8683 8.9822 126.3082 53.1724 44.9133 176.1708 59 T 4.6963 9.2214 115.2904 60.4616 70.4425 175.8997 60 R 4.1367 8.9047 124.4758 59.6988 30.0842 179.0176 61 K 3.9636 8.0163 118.7875 59.9055 32.3194 178.7934 62 T 4.1558 7.6699 116.8397 66.0618 68.3688 176.6843 63 L 3.7427 7.8432 120.9433 57.6489 41.4602 179.2166 64 E 3.9311 8.3684 119.4192 59.3866 29.1632 178.6670 65 E 3.9602 8.2950 118.5543 59.5234 29.2262 179.3450 66 Q 4.0398 7.7514 117.3130 58.5134 28.9359 178.0168 67 L 4.2089 7.8866 119.4892 55.2974 41.7524 178.1022 68 G 3.9393 9.1087 105.8659 45.6200 0.0000 172.9253 69 R 4.6777 7.5741 113.4823 53.3904 32.3054 172.8029 70 P 4.5246 0.0000 0.0000 63.2591 31.7237 175.9527 71 F 4.7831 9.0137 123.9472 56.5257 42.6083 173.2996 72 N 4.8626 7.4352 123.1444 50.6939 42.4182 175.2887 73 M 4.0907 8.2256 119.0930 58.3255 31.8171 178.9837 74 Q 4.2793 7.8100 118.9164 58.5190 28.3625 178.2272 75 E 3.8873 7.5689 120.7048 58.9330 29.9356 178.2744 76 L 4.2775 7.9738 119.8704 58.3914 42.2175 178.6369 77 E 4.0437 8.2838 118.5215 59.5982 29.1813 179.5144 78 I 3.8540 8.0648 119.0716 63.5859 37.1132 177.1363 79 N 5.1301 7.5098 115.0627 51.9633 38.7526 174.9972 80 L 4.2772 7.5447 121.3299 54.3009 41.2631 176.7333 81 A 4.2783 8.6812 127.5898 55.1290 19.1229 176.5403 82 S 4.6443 7.8529 108.0936 58.2583 66.0889 173.0001 83 F 5.2256 7.9135 114.1140 55.8701 40.2326 173.1473 84 A 4.6238 9.1814 122.2539 51.5470 21.6566 177.0126 85 G 4.2729 9.0828 106.6372 44.7092 0.0000 172.7185 86 Q 4.4494 8.3976 117.9062 55.1655 30.4800 175.3546 87 I 4.8544 8.1071 120.6024 59.6469 40.2229 175.1468 88 Q 4.7932 9.1267 125.0239 54.0681 31.6545 174.5327 89 A 5.1103 8.4149 124.2639 50.8797 22.6405 175.2325 90 D 4.5310 8.7021 118.9119 52.4118 41.8986 175.5420 91 E 3.9826 8.8353 115.5130 58.8933 29.9874 176.9538 92 D 4.7471 8.4769 119.4918 54.8593 42.4662 175.5018 93 Q 4.9926 7.2717 114.8082 55.5780 32.3465 172.6767 94 I 4.7878 8.4649 120.2676 59.0732 41.3612 173.9666 95 R 4.9299 8.9952 128.8148 54.6236 32.6570 174.0515 96 F 5.3396 9.2317 126.2126 56.6217 40.9573 174.6187 97 Y 5.4418 8.8825 120.4869 55.6736 41.7329 173.4745 98 F 4.7483 9.1040 124.2776 57.4774 40.5761 174.4232 99 D 4.6798 7.5585 124.8675 51.8223 43.4595 174.6038 100 K 3.2666 8.6696 122.3979 60.6342 31.2853 177.7763 101 T 3.9639 8.3666 116.1451 64.8475 70.7792 176.2835 *102 M 4.2654 7.7180 125.3026 53.7309 32.0959 177.4025 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 11 N 8.28 4.16 0.00 2.54 2.71 0.00 0.00 7.10 5.83 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 12 N 8.06 4.88 0.00 2.80 2.72 0.00 0.00 6.66 6.79 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 13 V 9.75 4.55 2.39 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 1.04 0.00 0.00 1.19 0.00 0.00 14 G 7.81 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 15 P 0.00 4.68 0.00 2.10 2.05 0.00 3.61 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 16 I 8.67 4.96 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.70 0.90 0.00 0.00 17 I 8.86 5.05 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.92 0.96 0.00 0.00 18 R 8.94 3.97 0.00 1.76 1.78 0.00 3.20 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.94 0.00 19 A 8.08 3.85 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.07 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 21 D 8.21 4.59 0.00 2.67 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 22 L 7.77 4.21 0.00 1.73 1.73 1.02 0.93 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 23 V 7.83 3.54 2.17 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 1.08 0.00 0.00 1.01 0.00 0.00 24 E 8.07 3.89 0.00 2.10 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 2.36 2.44 0.00 25 P 0.00 4.16 0.00 2.10 1.98 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 26 V 7.87 3.57 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 1.13 0.00 0.00 0.96 0.00 0.00 27 I 8.00 3.69 1.98 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 1.52 0.50 0.93 0.00 0.00 28 E 8.42 3.98 0.00 1.99 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 2.53 2.48 0.00 29 T 8.23 3.85 4.38 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 1.24 0.00 0.00 30 A 8.35 4.03 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 31 E 7.93 3.99 0.00 2.10 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 0.00 2.35 2.47 0.00 32 I 7.92 3.88 1.91 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 1.52 0.56 0.91 0.00 0.00 33 D 8.28 4.75 0.00 2.76 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 34 N 7.64 5.10 0.00 2.97 2.73 0.00 0.00 6.70 7.91 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 35 P 0.00 4.22 0.00 2.18 2.07 0.00 3.96 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 36 G 8.87 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.58 4.62 0.00 1.94 1.69 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.39 7.81 38 E 8.80 4.16 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 39 I 8.22 4.64 1.87 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 1.35 0.84 0.96 0.00 0.00 40 T 8.95 4.51 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 41 V 8.41 4.62 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 0.78 0.00 0.00 0.93 0.00 0.00 42 E 9.47 4.42 0.00 2.01 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 2.22 2.22 0.00 43 D 8.65 4.84 0.00 2.73 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 44 R 8.73 4.38 0.00 2.10 1.98 0.00 3.34 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 45 R 8.90 4.39 0.00 1.96 2.13 0.00 3.32 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 46 A 7.73 4.14 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 47 Y 7.62 5.26 0.00 2.88 2.79 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 0.00 0.00 0.00 48 V 9.02 4.88 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 1.04 0.00 0.00 0.95 0.00 0.00 49 R 9.04 4.94 0.00 1.90 1.76 0.00 3.05 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 50 I 8.58 5.03 1.83 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 1.15 0.50 0.90 0.00 0.00 51 A 9.13 4.96 1.18 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 0.00 0.00 52 A 8.78 4.97 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 53 E 8.73 4.20 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 54 G 11.30 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.49 5.42 0.00 2.19 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 2.26 2.38 0.00 56 L 9.31 4.88 0.00 1.82 1.72 0.97 1.29 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 57 I 9.07 4.95 1.91 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 0.78 0.93 0.00 0.00 58 L 8.98 4.87 0.00 1.63 1.60 1.14 0.83 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 59 T 9.22 4.70 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 1.27 0.00 0.00 60 R 8.90 4.14 0.00 2.05 2.06 0.00 3.41 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.80 0.00 61 K 8.02 3.96 0.00 1.89 1.81 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.55 7.81 62 T 7.67 4.16 4.32 0.00 0.00 0.00 0.00 0.00 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 63 L 7.84 3.74 0.00 1.41 0.60 0.96 0.68 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 64 E 8.37 3.93 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.68 0.00 65 E 8.29 3.96 0.00 2.21 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 2.33 2.47 0.00 66 Q 7.75 4.04 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 67 L 7.89 4.21 0.00 1.59 1.73 0.70 0.70 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 68 G 9.11 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.57 4.68 0.00 1.91 1.89 0.00 3.11 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 1.53 1.72 0.00 70 P 0.00 4.52 0.00 2.08 2.08 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 71 F 9.01 4.78 0.00 2.97 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 72 N 7.44 4.86 0.00 2.50 2.45 0.00 0.00 7.16 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 73 M 8.23 4.09 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.69 0.00 74 Q 7.81 4.28 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.16 0.00 75 E 7.57 3.89 0.00 1.86 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 2.49 2.37 0.00 76 L 7.97 4.28 0.00 2.20 2.01 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.28 4.04 0.00 2.06 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 2.28 2.41 0.00 78 I 8.06 3.85 2.00 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 1.54 0.53 0.94 0.00 0.00 79 N 7.51 5.13 0.00 2.90 2.90 0.00 0.00 7.05 8.75 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 80 L 7.54 4.28 0.00 1.92 2.03 1.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.68 4.28 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.85 4.64 0.00 3.78 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 83 F 7.91 5.23 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 9.18 4.62 1.23 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 0.00 0.00 0.00 85 G 9.08 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 0.00 0.00 0.00 0.00 86 Q 8.40 4.45 0.00 0.93 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.70 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 87 I 8.11 4.85 1.68 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.24 0.64 0.00 0.00 88 Q 9.13 4.79 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 89 A 8.41 5.11 1.05 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 90 D 8.70 4.53 0.00 2.83 2.74 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 91 E 8.84 3.98 0.00 2.07 2.10 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 2.26 2.26 0.00 92 D 8.48 4.75 0.00 2.81 2.74 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 93 Q 7.27 4.99 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.74 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 94 I 8.46 4.79 1.74 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 0.14 1.47 0.91 0.00 0.00 95 R 9.00 4.93 0.00 1.80 1.80 0.00 3.05 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 96 F 9.23 5.34 0.00 3.17 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.88 5.44 0.00 3.13 3.05 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 98 F 9.10 4.75 0.00 3.10 3.09 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 99 D 7.56 4.68 0.00 2.51 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 0.00 0.00 0.00 0.00 100 K 8.67 3.27 0.00 1.79 1.70 0.00 1.88 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.76 1.77 7.81 101 T 8.37 3.96 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 1.22 0.00 0.00 *102 M 7.72 4.27 0.00 1.81 1.92 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.