NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6542 8.3644 120.5358 57.0709 41.3632 173.6042 3 T 4.1285 8.2158 128.4686 61.9579 65.8117 172.7887 4 S 4.1123 7.9002 115.5540 61.2292 63.3671 175.2879 5 L 4.1898 7.9302 122.6168 58.0173 41.9378 178.6621 6 I 4.0387 7.9470 119.5170 64.5424 37.1081 178.1962 7 R 3.9173 8.0718 119.4980 59.4660 29.8863 178.4428 8 E 4.0316 8.3498 118.4908 59.3009 29.3281 179.3481 9 L 4.0427 8.4595 119.2945 57.6870 41.7256 179.3180 10 A 4.0318 8.2815 120.7971 55.2498 18.2005 179.6053 11 E 3.9563 8.3893 117.1232 59.3680 29.5108 179.4795 12 L 3.9524 8.4154 119.3276 57.7456 41.6393 179.3996 13 A 3.9860 8.2945 120.9695 54.9966 18.0871 179.4688 14 L 3.8018 7.7670 117.4440 58.2136 42.4152 178.6497 15 A 4.2511 8.3387 121.1772 55.3033 18.3415 179.9354 16 G 3.5824 8.6092 104.7691 47.6816 0.0000 175.9802 17 S 4.2819 8.1944 115.8206 60.3633 63.0498 175.7274 18 G 4.0845 7.6435 106.9240 44.3858 0.0000 173.4229 19 Q 4.3820 7.2591 119.3656 55.9806 29.7857 175.4275 20 H 4.0199 8.1918 110.4744 57.2737 27.2205 176.9953 21 C 4.6410 7.5036 120.7198 58.4268 24.5285 174.1264 22 H 4.2821 7.6015 121.6032 58.8263 29.1133 177.4688 23 E 3.9853 8.1257 119.9217 59.4038 29.4700 179.0496 24 E 3.9259 8.1530 117.8459 59.3906 29.5280 179.1029 25 A 4.0834 8.0284 120.7105 55.0202 18.4172 179.3878 26 L 3.8965 8.0964 118.8442 58.6176 42.2885 178.9530 27 C 4.1592 8.1571 116.5872 62.9944 27.9416 176.3029 28 I 3.9198 7.8796 121.1725 64.1917 36.6967 178.2913 29 A 3.9982 8.3839 122.0279 55.1736 18.2281 179.4940 30 E 3.9498 8.4100 117.1206 59.3546 29.6917 179.4150 31 W 4.2619 8.2428 128.0935 60.5819 30.7470 177.9398 32 L 3.5094 8.4147 119.2671 57.7014 40.9494 179.4391 33 E 3.9215 8.2880 118.5582 59.4150 29.1718 179.5218 34 R 3.9162 7.7348 117.1519 58.8013 30.1852 178.1407 35 L 4.2082 7.2111 115.8914 54.4582 41.9211 177.6524 36 G 3.8419 7.9116 107.6664 46.0022 0.0000 175.4125 37 Q 4.2389 7.8999 121.6300 54.5963 25.2035 176.0461 38 D 4.1966 7.4998 124.0172 57.1957 41.5364 178.1397 39 E 2.5400 7.2877 118.9042 58.6095 29.5180 178.5604 40 A 3.7079 7.4704 120.0012 54.9511 18.3974 179.2592 41 A 3.8068 7.8720 119.3754 55.1218 18.3236 179.8743 42 R 3.3796 7.9440 117.5892 59.1820 30.0591 178.1853 43 L 3.4231 7.6015 120.3029 58.2786 41.8651 179.1532 44 I 3.4877 7.3986 119.2805 64.2458 37.0057 178.5476 45 R 3.8600 7.8726 118.9648 59.4163 29.9495 179.2252 46 I 3.7205 7.5937 119.6396 64.3378 37.0071 178.4718 47 S 3.6067 7.5385 114.1950 61.1459 61.9404 176.1411 48 S 4.1514 8.1780 116.0607 61.3768 62.1386 176.1671 49 L 3.9590 8.0841 121.4234 57.8211 41.4384 179.3831 50 A 4.1279 8.6246 121.0548 55.2994 18.2069 179.1597 51 N 4.6106 8.6199 113.5170 55.2942 38.7796 176.5313 52 Q 4.3334 7.4952 118.1889 55.3216 29.2412 176.4795 53 G 3.1325 7.6111 108.3700 45.9442 0.0000 175.7740 54 R 4.1624 7.3847 121.2458 54.8822 26.6612 176.5912 55 Y 4.3827 6.9863 120.3542 61.2633 38.3647 178.2972 56 Q 4.1035 8.1189 117.4650 59.0818 29.3384 178.2089 57 E 4.0710 8.2009 118.9588 59.2589 29.6808 179.0406 58 A 4.3482 8.1634 120.8806 55.2420 18.5457 179.4267 59 L 4.1465 8.3494 116.4524 56.8488 40.7564 179.1978 60 A 3.9888 7.7315 120.9400 54.8295 17.9932 179.0614 61 F 4.3700 7.7860 113.9601 59.3740 39.3729 177.3412 62 A 3.1599 7.2393 121.2396 53.6558 17.7894 175.8459 63 H 4.0821 6.9134 114.9870 57.2819 28.4324 175.4264 64 G 3.7993 8.5605 111.8628 45.2768 0.0000 171.6012 65 N 4.0433 7.8721 117.8010 53.5715 38.8399 172.7099 66 P 4.2590 0.0000 0.0000 62.6176 32.2524 175.6702 67 W 4.7466 8.1498 120.3797 54.2925 29.6836 174.2395 68 P 4.3225 0.0000 0.0000 65.5177 30.5449 178.1367 69 A 4.1331 8.1101 117.7330 54.1875 18.7650 178.5161 70 L 4.3600 8.2301 116.9709 56.0543 41.9725 178.5515 71 E 4.0835 8.0908 119.4569 59.1757 29.3720 177.3036 72 P 3.6771 0.0000 0.0000 65.1877 31.0834 178.5710 73 W 3.9781 7.5809 117.2499 59.7026 28.8326 178.6060 74 F 4.6855 7.6570 117.0875 60.4962 38.3773 177.2841 75 A 4.3923 8.0778 121.8349 54.7579 18.2083 179.6911 76 L 4.1400 8.2859 117.4512 58.1765 41.6940 179.5936 77 C 4.2628 8.5465 116.6711 62.9712 28.1156 175.9889 78 E 4.0428 8.6411 120.3750 59.0362 29.0620 179.1394 79 W 4.3875 8.5862 128.6641 61.1187 30.6164 177.8766 80 H 3.7474 7.9707 114.0464 57.7687 28.0283 176.7971 81 L 4.3886 7.4605 118.9004 53.9585 41.7188 177.2106 82 G 3.8726 7.6263 106.8042 46.7610 0.0000 176.0765 83 L 4.4824 7.9576 122.0963 52.7276 38.3149 177.2912 84 G 3.7441 8.0181 109.7952 47.9888 0.0000 172.6460 85 A 4.0478 8.0001 122.6497 54.5269 18.4341 179.4482 86 A 3.9525 7.9453 118.9365 55.1122 18.5398 179.2302 87 L 4.0989 8.1259 118.9716 58.7103 42.1247 179.0215 88 D 4.4091 8.2663 118.6073 57.4094 40.7141 179.1080 89 R 3.9221 8.1252 118.5849 59.1013 30.0385 178.9971 90 R 3.9288 8.2384 118.6274 59.5299 30.1626 178.4368 91 L 4.0056 8.3882 118.8988 57.8959 41.4094 179.3661 92 A 4.1324 8.0811 119.6786 55.0505 18.0232 179.6996 93 G 3.7032 8.2041 104.1566 48.1101 0.0000 176.1006 94 L 4.2485 8.3217 121.9812 56.9519 41.3029 179.5581 95 G 3.7269 8.0025 107.8977 48.5085 0.0000 174.3208 96 G 3.9673 7.5951 105.3854 45.0124 0.0000 173.7869 97 S 4.2454 7.8738 114.9365 58.2028 62.7355 174.6062 98 S 4.2686 8.4972 119.7244 59.6272 63.7540 174.0862 99 D 4.5949 8.3106 122.6835 52.7387 41.5947 174.6167 100 P 4.2721 0.0000 0.0000 66.0590 31.0766 178.2261 101 A 4.0776 8.4342 120.5428 54.8489 18.2314 179.6742 102 L 3.9478 8.0435 116.8939 57.9039 41.8347 179.3326 103 A 4.1721 8.1120 120.7143 55.4015 18.2401 179.4930 104 D 4.2817 8.6446 117.8800 57.2032 40.7879 178.6942 105 F 3.8896 8.6463 121.4845 61.0959 39.3506 177.0503 106 A 3.9217 8.3473 120.0992 55.1625 18.2645 179.4443 107 A 3.9587 8.1315 119.4631 55.2623 18.4025 180.1377 108 G 3.3424 8.1023 104.4332 48.0578 0.0000 175.6914 109 M 3.5615 7.7415 121.0025 57.8822 32.0179 178.2412 110 R 3.7231 7.8921 118.8068 59.3691 30.0334 178.3820 111 A 3.7785 7.6873 119.2790 55.1669 18.4289 179.0285 112 Q 3.9613 7.8725 117.1109 58.3584 29.1859 177.4959 113 V 4.0415 7.9726 120.9557 63.8241 32.3681 176.8889 114 R 4.1877 8.0958 120.1507 55.8869 30.2860 179.2742 *115 T 4.2236 8.4156 114.0973 60.1780 69.1613 170.7923 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 D 8.36 4.65 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.22 4.13 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 4 S 7.90 4.11 0.00 3.94 3.85 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 5 L 7.93 4.19 0.00 1.84 1.73 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.95 4.04 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.84 0.69 0.00 0.00 7 R 8.07 3.92 0.00 1.95 2.06 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 8 E 8.35 4.03 0.00 2.21 2.00 0.00 0.00 0.00 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 2.55 0.00 9 L 8.46 4.04 0.00 2.18 1.87 0.55 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.28 4.03 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 11 E 8.39 3.96 0.00 2.20 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 2.32 2.57 0.00 12 L 8.42 3.95 0.00 1.82 1.70 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.29 3.99 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 14 L 7.77 3.80 0.00 1.61 1.82 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.34 4.25 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 16 G 8.61 3.58 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 0.00 17 S 8.19 4.28 0.00 4.10 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 18 G 7.64 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.26 4.38 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.54 0.00 0.00 0.00 0.00 0.00 2.21 2.44 0.00 20 H 8.19 4.02 0.00 3.31 3.40 0.00 5.68 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 C 7.50 4.64 0.00 3.03 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 22 H 7.60 4.28 0.00 3.19 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.13 3.99 0.00 2.01 2.00 0.00 0.00 0.00 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 2.42 0.00 24 E 8.15 3.93 0.00 2.17 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 2.37 2.42 0.00 25 A 8.03 4.08 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 26 L 8.10 3.90 0.00 1.88 1.86 0.96 0.88 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 27 C 8.16 4.16 0.00 3.16 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 28 I 7.88 3.92 2.06 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 1.41 0.78 1.13 0.00 0.00 29 A 8.38 4.00 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 30 E 8.41 3.95 0.00 2.23 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 0.00 2.38 2.48 0.00 31 W 8.24 4.26 0.00 3.38 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 32 L 8.41 3.51 0.00 1.79 1.53 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.29 3.92 0.00 2.18 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 2.31 2.39 0.00 34 R 7.73 3.92 0.00 1.91 1.98 0.00 3.20 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 35 L 7.21 4.21 0.00 1.37 1.38 -0.26 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.91 3.84 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 0.00 0.00 0.00 37 Q 7.90 4.24 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.76 0.00 0.00 0.00 0.00 0.00 2.12 2.32 0.00 38 D 7.50 4.20 0.00 2.73 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 39 E 7.29 2.54 0.00 1.16 1.27 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 1.80 1.47 0.00 40 A 7.47 3.71 1.15 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 41 A 7.87 3.81 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 42 R 7.94 3.38 0.00 1.81 1.77 0.00 2.51 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.50 0.00 43 L 7.60 3.42 0.00 1.51 1.60 0.54 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.40 3.49 1.89 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 1.44 0.47 0.85 0.00 0.00 45 R 7.87 3.86 0.00 1.72 1.92 0.00 2.91 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 46 I 7.59 3.72 1.42 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 1.65 0.38 0.76 0.00 0.00 47 S 7.54 3.61 0.00 2.81 3.53 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 0.00 0.00 0.00 0.00 48 S 8.18 4.15 0.00 3.96 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 49 L 8.08 3.96 0.00 1.82 1.92 1.11 0.60 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 50 A 8.62 4.13 1.70 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 0.00 0.00 51 N 8.62 4.61 0.00 3.00 3.01 0.00 0.00 7.04 7.26 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 52 Q 7.50 4.33 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.90 0.00 0.00 0.00 0.00 0.00 1.94 2.15 0.00 53 G 7.61 3.13 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 0.00 0.00 0.00 0.00 54 R 7.38 4.16 0.00 1.93 1.98 0.00 3.38 0.00 0.00 3.11 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 55 Y 6.99 4.38 0.00 3.09 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 56 Q 8.12 4.10 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.08 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 57 E 8.20 4.07 0.00 2.03 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 2.38 2.37 0.00 58 A 8.16 4.35 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.35 4.15 0.00 1.99 1.70 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.73 3.99 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.79 4.37 0.00 3.49 3.25 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 0.00 62 A 7.24 3.16 0.50 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 63 H 6.91 4.08 0.00 3.30 3.26 0.00 5.75 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 64 G 8.56 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 0.00 0.00 0.00 65 N 7.87 4.04 0.00 3.07 3.06 0.00 0.00 7.06 7.23 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 66 P 0.00 4.26 0.00 1.45 1.69 0.00 3.47 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.87 0.00 67 W 8.15 4.75 0.00 3.59 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 68 P 0.00 4.32 0.00 2.22 2.17 0.00 3.73 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 69 A 8.11 4.13 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 70 L 8.23 4.36 0.00 1.87 1.47 1.11 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.09 4.08 0.00 2.09 2.09 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 2.53 2.61 0.00 72 P 0.00 3.68 0.00 1.05 0.49 0.00 3.47 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 1.58 1.58 0.00 73 W 7.58 3.98 0.00 3.11 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 74 F 7.66 4.69 0.00 3.29 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 75 A 8.08 4.39 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 4.14 0.00 2.03 1.99 0.68 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.55 4.26 0.00 3.45 3.25 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 0.00 78 E 8.64 4.04 0.00 2.28 2.09 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 2.41 2.51 0.00 79 W 8.59 4.39 0.00 3.28 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 80 H 7.97 3.75 0.00 1.65 2.50 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.46 4.39 0.00 1.81 1.72 1.05 1.13 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 82 G 7.63 3.87 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 0.00 0.00 0.00 83 L 7.96 4.48 0.00 1.86 1.67 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.02 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 85 A 8.00 4.05 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 86 A 7.95 3.95 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.13 4.10 0.00 1.92 1.94 1.02 1.22 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 88 D 8.27 4.41 0.00 2.88 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 89 R 8.13 3.92 0.00 2.05 2.00 0.00 3.15 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 90 R 8.24 3.93 0.00 1.95 2.13 0.00 3.33 0.00 0.00 3.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 91 L 8.39 4.01 0.00 1.69 1.70 0.82 0.76 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 92 A 8.08 4.13 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 93 G 8.20 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 0.00 0.00 0.00 94 L 8.32 4.25 0.00 1.90 1.81 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.00 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 0.00 0.00 0.00 96 G 7.60 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 0.00 0.00 0.00 97 S 7.87 4.25 0.00 3.90 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 98 S 8.50 4.27 0.00 4.03 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 99 D 8.31 4.59 0.00 2.75 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 0.00 100 P 0.00 4.27 0.00 2.30 2.31 0.00 3.76 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 101 A 8.43 4.08 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 0.00 102 L 8.04 3.95 0.00 1.91 1.76 0.98 0.73 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 0.00 103 A 8.11 4.17 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 0.00 104 D 8.64 4.28 0.00 2.71 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 0.00 105 F 8.65 3.89 0.00 3.12 3.18 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 0.00 106 A 8.35 3.92 1.45 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 0.00 107 A 8.13 3.96 1.27 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 0.00 108 G 8.10 3.34 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 0.00 109 M 7.74 3.56 0.00 1.57 1.03 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 110 R 7.89 3.72 0.00 1.83 2.04 0.00 3.11 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 111 A 7.69 3.78 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 0.00 112 Q 7.87 3.96 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.77 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 113 V 7.97 4.04 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 0.80 0.00 0.00 0.37 0.00 0.00 114 R 8.10 4.19 0.00 1.83 1.70 0.00 3.35 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.44 0.00 *115 T 8.42 4.22 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 * Residues marked with a * may have inaccurate shift predictions.