NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7475 8.2085 109.7404 45.2858 0.0000 172.6882 *23 A 4.2531 8.1420 122.1657 51.8769 19.6755 176.4621 24 S 4.6322 8.4294 115.9199 57.3358 63.6274 173.9406 25 I 4.1891 8.1564 124.3738 61.3558 38.1929 175.9415 26 V 3.4634 7.6938 120.7755 62.1259 31.6569 176.3326 27 G 3.6270 7.5924 113.7238 45.0044 0.0000 170.0950 28 S 4.8284 7.4584 115.3811 56.4667 65.3626 173.5678 29 W 5.2060 9.1644 124.4267 55.0283 31.9034 175.0474 30 V 5.4050 9.3020 117.7691 59.6452 35.8729 174.3838 31 E 5.1040 9.2287 119.7145 53.7618 33.3969 173.1934 32 P 4.8280 0.0000 0.0000 62.5999 32.5525 176.3780 33 V 3.8419 8.7320 124.3882 61.7702 32.4722 173.8520 34 P 4.4190 0.0000 0.0000 64.3284 31.5576 177.0561 35 G 3.9908 9.0067 110.5225 45.5043 0.0000 173.5263 36 L 4.5650 7.5647 119.7905 51.7977 42.0644 174.5970 37 E 3.9879 8.4116 123.0578 57.6717 30.0450 177.4282 38 G 4.0152 9.0188 113.8639 45.1940 0.0000 173.0436 39 Q 4.7256 7.6002 118.1920 54.5874 31.1986 175.1359 40 V 5.1887 8.2108 113.7539 59.9698 35.8398 174.4996 41 Q 4.7005 8.8245 119.1357 54.8222 32.4487 174.7246 42 G 4.3853 8.0177 106.0193 46.3831 0.0000 171.1559 43 I 4.9813 7.7732 120.7304 59.3427 42.0413 175.6740 44 K 4.9617 8.6626 129.3523 53.7928 35.5908 174.1768 *46 E 4.5504 8.4136 118.9057 55.8319 31.1901 175.8814 47 E 4.2685 8.7900 120.7424 58.2107 29.9910 177.9296 48 G 3.8637 8.6515 110.7549 44.9229 0.0000 174.5152 49 G 3.3323 8.0533 108.2910 44.5535 0.0000 173.4776 50 V 4.4309 7.5630 119.6730 62.8149 32.1130 174.9541 51 A 5.3830 8.7405 129.1073 50.4058 21.9864 175.3845 52 S 5.1177 8.8795 113.4953 56.2143 66.9887 173.6339 53 S 4.8906 8.9090 117.8199 58.7433 63.8269 173.8366 54 V 4.0101 9.0298 124.6268 61.8760 32.9295 172.8266 55 N 4.0746 8.9322 128.0738 53.8243 36.2943 172.6979 *57 A 4.4209 8.1416 125.2852 51.9328 21.0085 178.2536 58 T 4.1608 7.8899 112.1025 65.9593 69.9354 174.9971 59 L 4.7348 7.8256 121.0660 53.2851 43.2314 176.8248 60 V 4.2597 8.7657 125.4188 61.0167 32.5511 174.1458 61 Y 4.6712 8.6814 125.8932 58.2069 38.3806 176.4907 62 E 4.7704 9.6459 120.5548 57.4657 33.4609 175.6728 63 S 5.1082 8.0040 112.0200 57.1892 66.9932 173.1738 64 W 5.8353 8.5216 116.5350 55.5268 31.4167 174.1911 65 K 4.0720 9.1155 120.6360 55.4254 35.6607 173.7846 66 Q 5.1093 8.7363 128.3673 54.5416 30.9684 174.5177 67 E 4.5311 8.8861 125.6276 55.0938 32.3625 176.2886 68 G 3.9505 8.2636 116.2265 47.3722 0.0000 173.1973 69 T 4.4267 8.4960 115.2974 61.0795 69.1242 173.6736 70 K 4.7698 8.0790 122.3617 55.3180 34.3868 175.1076 71 L 5.1965 8.3884 124.5730 53.4501 45.1386 174.7451 72 I 4.8971 8.9661 127.7864 59.8338 39.2497 174.6376 73 L 5.6236 9.2048 127.3286 53.1793 45.0362 175.7689 74 T 5.0262 9.5270 112.4039 58.2450 72.6872 174.3006 75 G 3.4950 6.0257 106.8308 45.6231 0.0000 171.0319 76 K 5.1235 8.0732 118.9669 55.1656 36.7551 175.4642 77 S 5.1533 9.2734 117.1918 56.7714 64.7901 172.7194 78 I 4.6506 8.5219 129.4978 60.6465 37.7416 175.7153 79 G 3.9279 9.5594 116.2866 46.1084 0.0000 171.6373 80 N 4.2523 9.6855 114.3105 54.2296 36.0320 175.2465 81 G 3.9772 8.6657 101.9597 46.2809 0.0000 173.9834 82 Q 4.5676 8.0351 116.9707 54.2236 32.9424 173.9787 83 T 5.1032 8.4065 115.7588 62.0547 71.2843 173.5413 84 I 4.5908 8.4949 127.5434 59.1895 40.2796 175.2281 85 E 4.6825 8.9496 127.1273 56.3170 30.2306 176.1212 86 F 5.0942 8.7306 117.9982 55.1609 42.1864 174.2272 87 V 4.6399 8.5790 118.5217 61.7264 33.5615 173.7915 88 D 5.1788 9.6576 128.7354 52.9570 43.3138 176.0567 89 T 5.3304 8.2775 117.6699 60.9633 72.1940 173.1814 *91 D 4.3905 8.3494 121.5257 54.4235 42.7585 174.8854 92 I 4.4052 8.5042 124.6204 60.6294 36.9787 175.9171 93 K 4.2922 9.0806 128.0321 58.0515 33.1126 177.5325 94 R 4.5248 7.6167 118.2514 55.2275 33.6059 173.8971 95 L 4.7299 8.3928 128.4347 54.7274 43.6717 173.9340 96 T 4.7871 8.9464 117.8642 59.5343 71.8297 174.3364 97 A 4.1862 8.8045 122.8789 54.9282 18.5839 178.0574 98 D 5.0057 7.8606 109.7033 54.1693 42.6885 175.6106 99 S 5.5816 8.4025 114.9925 56.9539 67.9680 172.8827 100 L 4.7383 8.6422 123.5853 53.5431 45.6605 174.7559 101 V 4.8618 8.7684 125.8267 61.0771 34.5702 174.0097 102 L 5.2605 8.7663 127.2643 52.9375 45.1357 174.9976 103 D 4.9372 8.9841 121.9022 52.6444 43.7037 174.7735 104 N 4.7108 8.8943 125.0943 52.3924 39.1196 173.5987 105 Q 3.3118 9.7511 127.4941 57.0818 27.0181 174.7227 106 G 4.0662 8.2994 101.7576 46.0526 0.0000 174.2303 *108 E 4.4336 7.5486 115.4258 56.2058 31.5736 177.3185 109 I 4.4184 8.4296 123.2332 59.3494 40.8986 174.2171 110 R 4.9245 8.3139 126.4736 54.7650 31.9523 174.4934 111 Y 5.2106 9.2636 123.3354 56.2326 41.8825 174.3349 112 A 5.4214 9.0923 123.0270 49.9944 22.2839 175.8004 113 K 3.7976 8.6775 122.7516 56.0878 33.0374 176.7629 114 Q 4.1715 8.3103 127.6855 56.2122 28.5876 175.0837 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 0 G 8.21 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 *23 A 8.14 4.25 1.32 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 0.00 0.00 0.00 24 S 8.43 4.63 0.00 3.89 3.81 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 0.00 0.00 0.00 25 I 8.16 4.19 1.80 0.00 0.00 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 0.94 0.57 0.61 0.00 0.00 26 V 7.69 3.46 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 0.81 0.00 0.00 1.08 0.00 0.00 27 G 7.59 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.46 4.83 0.00 3.56 3.64 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 29 W 9.16 5.21 0.00 2.80 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 30 V 9.30 5.40 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 0.83 0.00 0.00 1.04 0.00 0.00 31 E 9.23 5.10 0.00 1.89 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 2.39 2.27 0.00 32 P 0.00 4.83 0.00 1.96 2.03 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 33 V 8.73 3.84 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 0.95 0.00 0.00 0.99 0.00 0.00 34 P 0.00 4.42 0.00 2.07 1.99 0.00 3.79 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 2.03 2.09 0.00 35 G 9.01 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 0.00 0.00 0.00 36 L 7.56 4.57 0.00 1.70 1.59 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.41 3.99 0.00 1.92 1.87 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 2.30 2.33 0.00 38 G 9.02 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 39 Q 7.60 4.73 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 40 V 8.21 5.19 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 0.77 0.00 0.00 0.96 0.00 0.00 41 Q 8.82 4.70 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 42 G 8.02 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 0.00 0.00 0.00 0.00 43 I 7.77 4.98 1.52 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 0.88 1.17 0.48 0.00 0.00 44 K 8.66 4.96 0.00 1.79 1.65 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.15 7.81 *46 E 8.41 4.55 0.00 2.24 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 2.33 2.41 0.00 47 E 8.79 4.27 0.00 2.28 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 2.31 1.88 0.00 48 G 8.65 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 49 G 8.05 3.33 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 0.00 50 V 7.56 4.43 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 0.86 0.00 0.00 0.96 0.00 0.00 51 A 8.74 5.38 1.42 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 0.00 0.00 0.00 52 S 8.88 5.12 0.00 3.91 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 53 S 8.91 4.89 0.00 3.89 3.97 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 54 V 9.03 4.01 2.12 0.00 0.00 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 55 N 8.93 4.07 0.00 2.88 2.93 0.00 0.00 7.16 7.96 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 *57 A 8.14 4.42 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 58 T 7.89 4.16 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 1.28 0.00 0.00 59 L 7.83 4.73 0.00 1.51 1.40 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.77 4.26 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 0.96 0.00 0.00 0.94 0.00 0.00 61 Y 8.68 4.67 0.00 3.10 2.94 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 62 E 9.65 4.77 0.00 1.80 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 2.21 2.19 0.00 63 S 8.00 5.11 0.00 3.74 3.91 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 0.00 0.00 0.00 64 W 8.52 5.84 0.00 3.48 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 65 K 9.12 4.07 0.00 1.64 1.58 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.19 7.81 66 Q 8.74 5.11 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 67 E 8.89 4.53 0.00 2.05 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 2.20 2.21 0.00 68 G 8.26 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 69 T 8.50 4.43 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 K 8.08 4.77 0.00 1.83 1.77 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.53 7.81 71 L 8.39 5.20 0.00 1.73 1.49 1.16 0.85 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 72 I 8.97 4.90 1.92 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 1.27 0.83 1.02 0.00 0.00 73 L 9.20 5.62 0.00 1.89 1.93 0.78 0.72 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 74 T 9.53 5.03 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 1.22 0.00 0.00 75 G 6.03 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 5.12 0.00 1.74 1.94 0.00 1.25 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.35 7.81 77 S 9.27 5.15 0.00 3.89 3.79 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 78 I 8.52 4.65 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.71 0.92 0.00 0.00 79 G 9.56 3.93 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 0.00 0.00 0.00 80 N 9.69 4.25 0.00 2.87 2.90 0.00 0.00 6.94 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.67 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 82 Q 8.04 4.57 0.00 2.21 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 83 T 8.41 5.10 4.25 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 0.00 0.00 1.22 0.00 0.00 84 I 8.49 4.59 1.93 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 1.25 0.88 0.96 0.00 0.00 85 E 8.95 4.68 0.00 1.83 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 2.27 2.21 0.00 86 F 8.73 5.09 0.00 3.06 3.10 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 87 V 8.58 4.64 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 0.89 0.00 0.00 0.94 0.00 0.00 88 D 9.66 5.18 0.00 2.82 2.62 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 89 T 8.28 5.33 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 1.24 0.00 0.00 *91 D 8.35 4.39 0.00 2.62 2.62 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 92 I 8.50 4.41 1.93 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 1.14 0.47 0.81 0.00 0.00 93 K 9.08 4.29 0.00 1.65 1.83 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.66 7.81 94 R 7.62 4.52 0.00 1.82 1.66 0.00 3.17 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 95 L 8.39 4.73 0.00 1.50 1.46 0.88 0.89 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 96 T 8.95 4.79 4.29 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 1.23 0.00 0.00 97 A 8.80 4.19 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 98 D 7.86 5.01 0.00 2.78 2.71 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 0.00 0.00 0.00 99 S 8.40 5.58 0.00 3.81 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 0.00 100 L 8.64 4.74 0.00 0.27 0.47 0.49 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.77 4.86 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 0.88 0.00 0.00 0.89 0.00 0.00 102 L 8.77 5.26 0.00 1.68 1.52 0.90 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.98 4.94 0.00 2.60 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.89 4.71 0.00 2.70 2.71 0.00 0.00 7.35 7.08 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 0.00 105 Q 9.75 3.31 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.16 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 106 G 8.30 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 *108 E 7.55 4.43 0.00 1.85 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 2.25 2.33 0.00 109 I 8.43 4.42 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.29 0.10 0.00 0.00 110 R 8.31 4.92 0.00 1.71 1.69 0.00 3.15 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 111 Y 9.26 5.21 0.00 2.93 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 0.00 112 A 9.09 5.42 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 0.00 113 K 8.68 3.80 0.00 0.95 1.42 0.00 1.57 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.98 0.45 7.81 114 Q 8.31 4.17 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.32 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.