NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4431 8.3049 120.3495 55.8021 34.7167 176.7551 2 N 4.3152 8.0762 117.5828 56.0933 39.2284 176.0517 3 R 4.2794 7.9593 118.5213 55.5142 28.5262 175.8693 4 G 4.1596 8.5171 110.4105 48.5651 0.0000 172.7069 5 A 4.3816 7.7911 127.8417 50.0439 17.2484 181.8055 6 L 3.1759 8.6043 113.2691 58.1815 44.9252 176.4738 7 I 3.6631 8.6080 120.7099 64.5588 37.0519 178.2915 8 K 4.3178 7.8501 118.3923 59.0542 32.2013 179.0723 9 L 4.0264 7.9604 117.2579 57.8726 41.9181 178.8301 10 V 3.7902 8.1204 119.5417 64.1989 31.3148 177.3299 11 E 4.0557 8.2423 117.8021 59.7915 29.8360 180.6456 12 S 4.1040 7.9546 116.8240 58.1019 61.7973 174.3806 13 R 4.2452 9.4761 116.2921 57.3571 30.2299 177.4802 14 Y 4.5126 7.5280 114.8355 57.9487 40.6732 176.8264 15 V 3.4571 6.7067 111.3354 61.3839 32.1470 176.4359 16 R 4.5668 8.3445 122.7474 56.3418 32.2347 174.8360 17 T 4.5091 7.6707 109.2669 63.4770 73.2615 174.1290 18 D 4.7158 8.1454 119.2025 53.1264 39.7745 175.7888 19 L 4.2478 7.6681 120.6940 53.3624 42.0914 174.3279 20 P 4.2117 0.0000 0.0000 62.4595 31.2486 175.9075 21 E 3.9458 8.7905 125.1330 56.3994 29.8538 175.8677 22 F 5.1269 7.7218 119.7132 55.7134 41.1353 173.1182 23 R 4.4272 8.6175 115.6403 55.2936 31.5834 174.9818 24 P 4.7882 0.0000 0.0000 66.7573 30.8470 177.6333 25 G 3.6739 11.3000 107.9305 45.1515 0.0000 175.7172 26 D 4.3375 8.5192 124.4158 54.2600 45.2643 174.7177 27 T 4.5343 7.1925 123.0340 61.5780 70.9497 172.5336 28 V 4.3845 7.3550 116.0304 63.0877 34.5769 171.9526 29 R 4.5286 9.2865 126.3889 56.2770 32.9535 173.5410 30 V 3.1808 7.6421 115.9668 60.5348 35.6622 173.7243 31 S 4.4992 7.9157 111.9339 58.2532 64.1444 170.9726 32 Y 4.2891 6.9927 114.7348 53.8618 39.9791 172.5688 33 K 3.5918 8.2063 135.0000 55.4996 29.2322 175.7080 34 V 4.3220 8.2184 123.2130 59.9590 30.4820 174.5027 35 K 4.5884 7.4272 124.2325 55.2203 35.8413 176.4822 36 E 3.7554 9.5504 116.5370 56.9389 27.7584 174.2507 37 G 4.0645 8.4543 101.5770 45.5317 0.0000 173.3181 38 N 5.0676 8.4168 115.6994 51.2061 40.9463 174.3926 39 R 4.6473 8.3440 116.7363 56.2016 30.0961 174.5518 40 T 4.6349 7.0528 107.7770 60.6661 72.1017 169.0083 41 R 3.7070 8.6714 128.7466 56.0244 30.9457 175.4577 42 I 4.4221 8.3123 118.3454 59.2532 38.9756 174.5962 43 Q 4.5206 8.8897 129.0425 54.7929 30.9718 174.9069 44 D 4.6901 8.4943 125.4176 53.9794 43.1949 176.9361 45 F 4.9897 8.3042 120.6164 57.8539 40.5415 171.3267 46 E 3.9436 8.4578 123.3705 55.6700 29.3805 175.7271 47 G 3.8461 7.4609 111.4790 45.1046 0.0000 171.9029 48 I 4.2264 8.1431 121.4997 60.7595 39.0153 175.9931 49 V 4.5543 8.2819 125.4154 61.1470 32.3996 176.2895 50 I 4.0843 8.5749 127.2958 62.6285 38.9276 176.0281 51 R 4.7743 7.7104 120.4957 54.8457 33.8312 174.2872 52 I 5.0389 8.3088 124.9715 59.6594 40.0053 174.6320 53 R 4.3506 9.0842 129.6022 55.2885 30.6622 175.7676 54 R 4.5148 8.4385 125.6502 55.1756 31.7171 175.3919 55 N 4.5982 8.7970 118.6336 53.6105 42.4961 176.9236 56 G 3.8797 8.9247 111.7784 46.0166 0.0000 177.8605 57 F 4.5386 9.6459 127.8392 59.4248 41.6039 173.8584 58 N 3.5192 5.7700 114.2599 53.4636 35.4156 173.6211 59 T 4.7626 7.4489 111.5821 60.8487 71.9361 175.2470 60 T 5.5049 8.3588 114.3515 59.8520 72.6040 172.2361 61 F 5.4396 7.7522 113.8859 56.6405 41.0757 173.0070 62 T 5.0805 9.3694 109.8480 60.0566 72.5725 172.7439 63 V 4.9360 8.7894 122.2744 61.2127 34.9704 173.9333 64 R 5.1423 9.2872 128.5549 54.5655 32.0323 174.5965 65 K 4.6116 9.5392 127.4540 54.6637 36.1836 175.2680 66 V 4.3073 8.3864 126.8557 61.8344 31.7996 175.2545 67 S 4.3955 8.8230 125.5458 57.5308 63.9009 175.0772 68 Y 3.3886 7.9562 126.1612 58.9141 36.1643 172.4307 69 G 3.7346 9.1556 112.8666 49.6826 0.0000 173.9943 70 V 3.8202 7.8177 120.0562 62.2601 32.3093 174.2607 71 G 4.4451 8.3950 111.3546 44.5022 0.0000 172.9165 72 V 4.7195 10.6155 122.7696 60.8472 34.9385 173.9684 73 E 5.3599 8.8459 125.3808 54.6606 32.6947 175.4655 74 R 4.3490 9.1675 122.3154 54.3097 33.8045 174.2307 75 I 4.5482 8.1343 124.4371 59.5809 39.0057 174.9451 76 F 5.2340 8.2999 126.0401 54.9904 41.5389 175.0509 77 P 4.2653 0.0000 0.0000 63.1461 31.2959 177.7424 78 L 4.2742 8.5553 118.4666 55.8302 41.0079 172.7220 79 H 4.9337 7.8582 112.6264 56.1176 33.8596 173.2504 80 S 4.1224 9.2453 120.1268 57.4205 60.5433 167.8167 81 P 4.6640 0.0000 0.0000 62.4669 31.8059 177.4702 82 L 4.6480 7.4522 118.0313 53.6043 43.2566 176.9894 83 I 3.7871 8.4926 118.0004 63.2321 37.6902 176.2799 84 Q 4.8747 7.3278 118.5729 54.5873 31.2496 176.0045 85 K 4.3859 8.3798 115.8680 55.9030 33.6178 175.4685 86 I 3.9047 7.8974 119.3514 61.8050 38.8710 173.8692 87 D 5.0103 8.4099 125.2225 53.0103 42.2993 175.8370 88 I 3.6789 8.2080 122.2003 62.7274 37.0581 178.3752 89 V 4.1215 8.8456 135.0000 61.4784 32.5604 174.6198 90 Q 3.9696 9.1886 129.1007 59.0818 28.4922 181.0576 91 R 3.1852 7.7960 112.5377 54.8861 32.7900 180.2847 92 G 3.8328 9.1039 105.1359 45.7767 0.0000 174.2789 93 R 3.7390 9.5339 113.4655 56.4266 28.6378 175.6733 94 A 4.0261 7.5304 121.5860 52.9092 18.1545 179.0148 95 R 4.4107 8.5996 120.7611 57.2928 30.3036 176.6933 96 R 4.6041 7.5108 112.1610 54.0435 32.2793 174.0053 97 A 3.6889 8.3160 118.7018 55.6458 18.3707 177.8265 98 K 4.5063 8.2276 115.1562 54.4538 34.1515 177.7031 99 L 5.1824 8.0115 122.5883 54.3749 40.1860 175.7160 100 Y 4.2759 8.7011 124.2742 60.6717 38.7649 177.6923 101 F 4.5455 8.9280 114.4619 59.2931 37.8044 176.5744 102 I 3.2610 6.9872 114.0526 63.2007 37.0149 176.6247 103 R 3.5987 7.4486 117.3134 60.0154 31.9947 179.0005 104 N 4.1683 8.6688 114.9440 55.9139 37.7912 177.2431 105 L 4.1459 9.0831 132.1617 55.7058 41.5011 176.3102 106 S 4.7518 8.8632 117.0829 55.4852 67.1257 174.2115 107 D 5.1934 8.2211 126.2931 53.3897 36.2615 177.4915 108 R 4.4062 8.2372 115.6232 56.8907 32.2984 179.1204 109 E 3.9962 8.3091 118.1866 59.2491 29.9213 179.0710 110 I 3.6233 8.0286 119.4531 64.3443 37.1581 177.3449 111 R 4.6761 7.7051 114.2506 55.9306 29.2628 176.9080 112 R 4.6038 8.3137 113.6783 56.0424 30.7158 175.9719 113 K 4.4573 8.1411 116.4867 56.7406 33.8986 176.4679 114 L 4.8367 7.3447 118.0554 53.0555 41.1521 175.7907 115 R 4.2150 7.6828 119.9728 54.8095 31.5712 176.4666 116 A 4.2014 8.2522 121.9327 52.8086 19.4061 177.1828 117 D 4.8822 8.0540 116.8744 51.3708 41.2522 176.1430 118 R 3.9213 8.0935 122.5341 59.1778 30.6771 177.8446 119 K 3.9400 8.0718 118.7711 59.8980 31.8634 178.2202 120 R 4.2305 8.2108 116.3036 58.4513 30.6275 178.3517 121 I 3.7621 7.6874 119.3448 64.6811 37.0534 177.3477 122 D 4.3582 9.1560 120.4702 57.9378 40.6848 179.2346 123 Q 4.0110 7.5990 116.5455 59.3417 28.5837 178.3856 124 D 4.5224 8.0193 121.0370 56.9436 40.8302 178.7173 125 R 3.8781 7.9215 116.9582 59.3636 30.4208 178.3203 126 A 4.1639 8.2080 120.2667 55.1271 18.2912 179.2034 127 A 4.4657 7.6285 115.6935 52.7890 17.8734 179.1485 128 E 3.8458 8.2053 120.7874 58.9216 29.5284 177.3230 129 R 3.7140 7.8369 116.9208 56.7563 29.5062 177.2779 130 A 4.4493 8.7096 118.6314 50.7767 17.5303 179.9265 131 A 4.8552 10.5313 121.5756 51.6236 21.1963 177.8597 132 K 4.4563 7.4193 130.7304 53.7745 32.5758 178.5933 133 E 3.6317 9.1955 122.8273 56.1543 28.3992 173.4237 134 E 4.6331 8.0723 121.2547 53.9502 33.8292 175.3965 135 A 5.4183 8.7078 135.0000 54.0492 17.4646 177.4795 136 Q 4.0454 8.0351 115.5922 58.5237 29.0626 175.6549 137 K 4.4656 7.5296 114.4378 54.1472 35.6764 175.3193 *138 A 4.1219 8.4027 122.1578 52.3829 18.7921 176.4756 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 1 M 8.30 4.44 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 N 8.08 4.32 0.00 2.84 2.86 0.00 0.00 6.91 6.78 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 3 R 7.96 4.28 0.00 1.80 1.91 0.00 3.42 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 4 G 8.52 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.79 4.38 1.13 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 6 L 8.60 3.18 0.00 1.77 1.75 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.61 3.66 1.93 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 1.53 1.02 0.92 0.00 0.00 8 K 7.85 4.32 0.00 1.75 1.90 0.00 1.84 0.00 0.00 0.61 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.55 7.81 9 L 7.96 4.03 0.00 1.74 1.76 0.95 0.91 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 V 8.12 3.79 2.30 0.00 0.00 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 0.99 0.00 0.00 11 E 8.24 4.06 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 2.37 2.43 0.00 12 S 7.95 4.10 0.00 3.96 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.48 4.25 0.00 1.77 1.85 0.00 3.25 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 14 Y 7.53 4.51 0.00 2.58 3.01 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 0.00 0.00 0.00 15 V 6.71 3.46 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 0.46 0.00 0.00 0.92 0.00 0.00 16 R 8.34 4.57 0.00 1.82 1.92 0.00 3.75 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 17 T 7.67 4.51 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 18 D 8.15 4.72 0.00 2.83 2.75 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 19 L 7.67 4.25 0.00 1.72 1.76 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.21 0.00 2.08 2.08 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 21 E 8.79 3.95 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 2.22 2.19 0.00 22 F 7.72 5.13 0.00 3.08 2.92 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 23 R 8.62 4.43 0.00 1.89 1.88 0.00 2.95 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 24 P 0.00 4.79 0.00 2.27 2.17 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 25 G 11.30 3.67 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 0.00 0.00 0.00 26 D 8.52 4.34 0.00 2.69 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 27 T 7.19 4.53 3.65 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 0.00 0.00 0.00 0.81 0.00 0.00 28 V 7.36 4.38 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 0.68 0.00 0.00 0.88 0.00 0.00 29 R 9.29 4.53 0.00 1.87 1.75 0.00 3.37 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 30 V 7.64 3.18 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 0.88 0.00 0.00 1.05 0.00 0.00 31 S 7.92 4.50 0.00 2.97 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.99 4.29 0.00 3.06 2.75 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 33 K 8.21 3.59 0.00 2.08 1.92 0.00 1.66 0.00 0.00 1.47 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.03 1.23 7.81 34 V 8.22 4.32 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 1.03 0.00 0.00 0.99 0.00 0.00 35 K 7.43 4.59 0.00 1.91 1.88 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.38 7.81 36 E 9.55 3.76 0.00 2.09 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 2.20 2.29 0.00 37 G 8.45 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 5.07 0.00 2.81 2.87 0.00 0.00 6.88 7.49 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 39 R 8.34 4.65 0.00 1.82 1.96 0.00 3.16 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 40 T 7.05 4.63 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 41 R 8.67 3.71 0.00 1.95 1.96 0.00 3.19 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 42 I 8.31 4.42 1.94 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 1.23 0.82 0.96 0.00 0.00 43 Q 8.89 4.52 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 44 D 8.49 4.69 0.00 2.61 2.65 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 0.00 0.00 0.00 0.00 45 F 8.30 4.99 0.00 3.00 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 46 E 8.46 3.94 0.00 1.88 1.73 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 2.17 2.18 0.00 47 G 7.46 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 0.00 0.00 0.00 48 I 8.14 4.23 1.79 0.00 0.00 0.76 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 0.70 0.93 0.00 0.00 49 V 8.28 4.55 2.23 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 0.84 0.00 0.00 1.12 0.00 0.00 50 I 8.57 4.08 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.70 0.57 0.00 0.00 51 R 7.71 4.77 0.00 1.51 1.57 0.00 3.07 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 52 I 8.31 5.04 1.87 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 0.89 0.00 0.00 53 R 9.08 4.35 0.00 1.91 1.86 0.00 3.11 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 54 R 8.44 4.51 0.00 1.76 1.86 0.00 3.33 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 55 N 8.80 4.60 0.00 2.62 2.73 0.00 0.00 7.06 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 56 G 8.92 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.65 4.54 0.00 2.88 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 58 N 5.77 3.52 0.00 2.63 2.49 0.00 0.00 5.73 7.71 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 59 T 7.45 4.76 4.53 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 1.42 0.00 0.00 60 T 8.36 5.50 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 1.17 0.00 0.00 61 F 7.75 5.44 0.00 3.39 3.27 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 62 T 9.37 5.08 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 1.15 0.00 0.00 63 V 8.79 4.94 2.36 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 0.78 0.00 0.00 1.13 0.00 0.00 64 R 9.29 5.14 0.00 1.83 1.68 0.00 3.21 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 65 K 9.54 4.61 0.00 1.25 1.41 0.00 1.63 0.00 0.00 1.33 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.12 1.31 7.81 66 V 8.39 4.31 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 0.88 0.00 0.00 67 S 8.82 4.40 0.00 3.94 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 68 Y 7.96 3.39 0.00 3.20 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 69 G 9.16 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 70 V 7.82 3.82 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 71 G 8.39 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 72 V 10.62 4.72 2.32 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 0.96 0.00 0.00 1.00 0.00 0.00 73 E 8.85 5.36 0.00 1.84 1.78 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 2.19 2.31 0.00 74 R 9.17 4.35 0.00 1.42 0.72 0.00 3.04 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 75 I 8.13 4.55 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.33 0.81 0.00 0.00 76 F 8.30 5.23 0.00 1.53 2.47 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 77 P 0.00 4.27 0.00 2.14 2.00 0.00 3.67 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 2.04 2.02 0.00 78 L 8.56 4.27 0.00 2.27 2.10 1.08 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.86 4.93 0.00 3.23 3.37 0.00 5.92 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 9.25 4.12 0.00 4.03 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 81 P 0.00 4.66 0.00 1.94 1.89 0.00 3.57 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.28 0.00 82 L 7.45 4.65 0.00 1.61 1.78 0.86 1.00 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 83 I 8.49 3.79 1.89 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 1.49 0.54 0.94 0.00 0.00 84 Q 7.33 4.87 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.50 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 85 K 8.38 4.39 0.00 1.73 1.71 0.00 2.02 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.45 7.81 86 I 7.90 3.90 1.86 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 1.38 1.33 0.89 0.00 0.00 87 D 8.41 5.01 0.00 2.58 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.21 3.68 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.76 0.88 0.00 0.00 89 V 8.85 4.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.91 0.00 0.00 90 Q 9.19 3.97 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.38 6.11 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 91 R 7.80 3.19 0.00 1.91 2.19 0.00 3.36 0.00 0.00 3.22 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 92 G 9.10 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 93 R 9.53 3.74 0.00 2.18 2.05 0.00 3.40 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 1.63 1.61 0.00 94 A 7.53 4.03 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 95 R 8.60 4.41 0.00 1.78 1.95 0.00 3.36 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.55 0.00 96 R 7.51 4.60 0.00 1.90 1.79 0.00 2.90 0.00 0.00 3.42 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.70 0.00 97 A 8.32 3.69 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 98 K 8.23 4.51 0.00 1.96 2.25 0.00 1.65 0.00 0.00 1.85 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.71 1.58 7.81 99 L 8.01 5.18 0.00 2.28 2.03 0.94 1.08 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 0.00 100 Y 8.70 4.28 0.00 3.08 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 0.00 101 F 8.93 4.55 0.00 3.24 3.23 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 0.00 102 I 6.99 3.26 1.58 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.41 0.18 0.00 0.00 103 R 7.45 3.60 0.00 1.93 1.97 0.00 3.33 0.00 0.00 3.30 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 104 N 8.67 4.17 0.00 2.75 2.64 0.00 0.00 6.90 7.85 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 0.00 105 L 9.08 4.15 0.00 1.69 1.70 0.97 0.77 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 0.00 106 S 8.86 4.75 0.00 3.84 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 0.00 107 D 8.22 5.19 0.00 2.91 2.66 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 0.00 108 R 8.24 4.41 0.00 1.99 2.19 0.00 2.98 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 109 E 8.31 4.00 0.00 2.24 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 2.35 2.30 0.00 110 I 8.03 3.62 1.82 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.83 0.00 0.00 111 R 7.71 4.68 0.00 1.93 1.98 0.00 2.99 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 112 R 8.31 4.60 0.00 1.86 2.22 0.00 3.05 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 1.67 1.58 0.00 113 K 8.14 4.46 0.00 2.02 2.10 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.60 7.81 114 L 7.34 4.84 0.00 1.65 1.60 0.93 1.54 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 0.00 115 R 7.68 4.22 0.00 1.81 1.89 0.00 3.39 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 116 A 8.25 4.20 1.24 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 0.00 0.00 117 D 8.05 4.88 0.00 2.89 2.53 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 0.00 118 R 8.09 3.92 0.00 1.89 2.27 0.00 3.22 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 119 K 8.07 3.94 0.00 1.83 2.01 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.58 7.81 120 R 8.21 4.23 0.00 1.78 1.97 0.00 3.24 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.94 0.00 121 I 7.69 3.76 1.92 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 1.64 0.69 0.91 0.00 0.00 122 D 9.16 4.36 0.00 2.64 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 0.00 123 Q 7.60 4.01 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.96 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 124 D 8.02 4.52 0.00 3.00 2.75 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 0.00 125 R 7.92 3.88 0.00 1.91 1.99 0.00 3.39 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 126 A 8.21 4.16 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 0.00 127 A 7.63 4.47 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.21 3.85 0.00 2.06 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 0.00 2.31 2.49 0.00 129 R 7.84 3.71 0.00 2.05 2.13 0.00 3.27 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 130 A 8.71 4.45 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 0.00 131 A 10.53 4.86 1.22 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 0.00 132 K 7.42 4.46 0.00 1.87 0.98 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.41 7.81 133 E 9.20 3.63 0.00 2.12 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 2.22 2.31 0.00 134 E 8.07 4.63 0.00 1.90 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 2.22 2.30 0.00 135 A 8.71 5.42 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 0.00 136 Q 8.04 4.05 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 137 K 7.53 4.47 0.00 1.70 1.64 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.39 7.81 *138 A 8.40 4.12 1.24 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.