NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3046 8.2601 123.5843 51.7627 20.2914 176.5593 3 A 4.1154 8.6375 124.0739 53.1713 19.4931 172.2943 4 V 4.8773 8.4613 114.6288 61.6068 35.2437 173.1160 5 T 4.7484 9.2385 124.2956 61.8900 71.8355 172.7966 6 Q 5.2704 8.8694 124.7383 54.2601 31.4833 174.9718 7 S 4.7827 9.1436 117.6185 55.9483 65.8396 172.3658 8 P 4.8058 0.0000 0.0000 62.5282 32.7498 175.5974 9 R 4.4682 8.3119 115.0454 57.2969 31.6155 176.2376 10 N 5.3525 7.8693 116.2207 52.3134 42.1325 173.4638 11 K 4.6657 9.2996 126.3896 55.0636 36.3398 174.4120 12 V 4.9306 8.4490 125.7255 61.1848 33.5125 174.2221 13 A 4.9509 9.5990 128.6111 50.3542 23.3589 174.5542 14 V 4.2845 8.5980 118.2178 60.8696 34.7575 175.3595 15 T 4.1513 8.4476 121.6636 65.6886 68.5867 174.8299 16 G 4.1757 8.9793 115.1153 44.3459 0.0000 173.2022 17 E 4.1098 7.9052 121.8255 55.7752 30.9993 175.5147 18 K 4.7420 8.5177 127.9799 56.0285 33.1825 175.8338 19 V 4.3849 8.7180 127.7460 61.2883 34.3421 174.0540 20 T 4.9006 8.4731 123.8668 61.6818 70.9203 173.2925 21 L 4.7294 8.7254 126.6291 52.7958 44.2433 175.6875 22 S 5.2695 9.1794 118.1431 56.7840 66.6363 172.2595 23 C 5.4178 9.0901 120.0563 55.3185 45.1315 172.4705 24 Q 5.5251 9.5158 125.7040 54.1338 31.3048 174.7781 25 Q 5.2196 9.0076 121.4780 54.8471 31.2873 175.3696 26 T 4.4641 8.9016 108.9037 61.8938 70.4475 175.4475 27 N 4.4156 8.2409 118.2717 53.2164 38.8246 174.3400 28 N 4.1921 8.0312 114.0582 54.1049 36.4659 174.0301 29 H 4.4614 8.2298 114.2285 55.6494 29.4556 175.5143 30 N 4.3815 9.0155 121.3136 56.2046 38.8112 174.9134 31 N 5.6486 7.9092 114.5786 51.1748 41.0031 174.2281 32 M 5.2569 7.6938 121.1547 53.8611 37.0930 173.7113 33 Y 5.0858 8.7761 116.8863 56.2958 43.1406 174.2153 34 W 5.2104 9.4816 122.6454 55.2258 32.3234 174.3570 35 Y 5.5694 9.8912 122.1144 56.1891 41.7434 174.6153 36 R 4.9983 8.9329 117.3872 54.5160 32.9963 174.4124 37 Q 4.9021 9.4210 123.4002 54.7540 30.8378 174.2556 38 D 5.1088 8.4796 124.9404 52.3310 45.1736 175.0428 39 T 3.9588 8.3265 118.3109 65.2665 68.8018 175.1708 40 G 3.9099 9.3746 114.1688 45.3826 0.0000 172.6639 41 H 4.9511 7.4906 115.3622 53.5075 32.4096 174.2190 42 G 3.8584 8.3585 110.7008 44.7494 0.0000 172.6101 43 L 4.3904 8.2419 119.4930 55.0441 42.1568 177.1483 44 R 4.7749 8.8141 123.2636 54.2474 32.9184 175.2061 45 L 4.2598 8.6722 125.9883 55.4273 43.0190 176.5076 46 I 3.9958 9.1923 128.4279 63.4293 37.9873 175.3169 47 H 5.5665 8.0089 117.2549 54.6199 33.9359 171.2564 48 Y 5.2554 8.7441 118.0140 56.1288 42.3400 173.4806 49 S 4.4362 8.0971 112.4262 57.3122 65.7258 174.1372 50 Y 4.6388 9.7745 124.0588 57.3092 38.5452 175.6570 51 G 4.0089 7.0067 109.1179 44.4369 0.0000 171.8993 52 V 3.7850 7.7760 119.4534 64.4133 31.6255 176.1393 53 G 3.9317 9.1289 114.7971 45.5239 0.0000 172.3295 54 N 5.1766 7.9188 117.5679 51.7150 41.2885 173.7058 55 T 4.7879 8.3221 114.2148 60.2352 72.5012 172.7577 56 E 4.5669 8.8722 121.3094 54.2340 33.8042 175.4171 57 K 4.3483 8.8068 122.9134 56.1917 32.7091 177.7313 58 G 4.2986 8.7288 114.1208 47.0189 0.0000 175.2575 59 D 4.8122 9.1836 122.4993 55.1054 41.4338 176.9437 60 I 4.8625 7.1395 110.9395 59.1647 36.0667 174.9744 61 P 4.1343 0.0000 0.0000 65.5728 32.5017 178.3933 62 D 4.3338 7.6246 121.1047 55.4823 41.6454 175.8241 63 G 3.5696 8.6012 114.3939 46.9108 0.0000 172.3045 *65 Y 5.4099 7.6090 114.7672 57.8973 39.4943 174.1802 66 E 4.8633 9.0297 120.2999 55.1381 34.2170 174.1103 67 A 4.8620 8.1100 119.9536 51.6397 22.4701 175.9160 68 S 4.4654 8.9363 113.4854 57.1041 66.2891 173.3002 69 R 5.2116 8.6797 127.7807 54.1801 29.2580 173.8077 70 P 4.4486 0.0000 0.0000 63.7754 31.0373 176.9032 71 S 4.5918 7.5291 112.4767 57.0368 65.4963 174.9108 72 Q 4.2146 8.7528 122.4677 58.9191 28.9142 177.3143 73 E 4.2197 7.7873 114.1705 57.1052 30.4408 175.2710 74 Q 5.1526 7.6836 121.1706 54.1455 31.0513 174.6908 75 F 5.3508 9.1462 128.1541 57.0012 42.0539 173.7843 76 S 5.0845 9.1954 122.9952 56.8857 65.6466 172.9357 77 L 4.5599 8.0074 125.3447 53.0904 44.1787 174.9784 78 I 4.7039 8.4639 126.9874 59.4895 40.2298 174.6432 79 L 4.6155 8.8039 129.0884 53.4111 41.8000 177.8779 80 V 3.5639 8.2712 125.1670 63.8910 32.8717 176.1215 81 S 4.4356 7.7888 114.9444 55.7359 64.4803 172.8526 82 A 4.6214 9.1210 129.8427 52.2492 19.5199 176.1603 83 T 4.7968 8.6041 110.1962 59.0554 72.1717 173.1581 84 P 4.3457 0.0000 0.0000 66.0708 31.4731 178.6963 85 S 4.2960 8.0173 110.5219 60.4980 62.9510 174.6496 86 Q 4.4875 8.4280 119.3458 56.2879 28.9098 176.0536 87 S 4.4985 7.9979 115.9411 59.2978 63.4358 173.8331 88 S 4.4915 8.4406 117.8371 58.3099 67.3792 174.2249 89 V 4.7581 7.4071 119.1531 61.3279 33.7222 174.2621 90 Y 5.2618 9.0886 125.5459 56.3153 41.0173 174.6773 91 F 5.4028 9.8577 122.0143 55.9813 42.8836 173.3979 92 C 4.5200 9.5316 123.8406 55.2936 45.9507 172.1119 93 A 5.2510 8.6231 125.1973 50.2593 22.6451 175.1944 94 S 5.3149 8.8497 114.8430 57.0732 66.1811 173.2177 95 G 4.7222 8.8703 107.1962 45.5527 0.0000 172.9659 96 V 4.5347 8.4603 119.7868 60.8491 35.2208 174.7414 97 G 3.7284 8.5943 112.7779 47.2101 0.0000 174.2142 98 G 3.9263 8.7706 114.5980 45.6408 0.0000 172.2990 99 T 4.4136 7.8132 117.8231 61.6848 70.3236 173.6470 100 L 4.9237 8.2670 125.8602 53.0906 44.5415 175.7927 101 Y 4.3421 9.1314 122.1800 56.3313 39.1624 174.6496 *108 F 5.0707 8.4449 122.0666 57.0973 40.4448 175.4966 109 G 4.1323 9.2453 109.9646 45.6747 0.0000 173.7892 110 A 4.3819 8.7523 121.9993 52.9425 18.7514 178.7376 111 G 3.3424 8.7788 102.7472 45.1616 0.0000 173.1806 112 T 4.7709 8.4142 117.5111 61.5122 72.3046 172.7852 113 R 4.9058 8.6983 127.5198 54.8227 32.1122 174.5190 114 L 5.1682 9.0948 128.6593 53.4659 45.0239 174.8664 115 S 5.0664 8.9882 122.7943 56.8142 65.3044 173.2642 116 V 4.4965 8.3968 125.7289 61.3171 32.4629 175.5376 117 L 4.3738 9.4089 128.5902 54.8500 41.2918 176.8376 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 8.26 4.30 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 3 A 8.64 4.12 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 4 V 8.46 4.88 2.16 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 0.86 0.00 0.00 1.03 0.00 0.00 5 T 9.24 4.75 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 1.25 0.00 0.00 6 Q 8.87 5.27 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 7 S 9.14 4.78 0.00 3.88 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 8 P 0.00 4.81 0.00 2.38 2.07 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 9 R 8.31 4.47 0.00 1.77 2.03 0.00 3.34 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 10 N 7.87 5.35 0.00 2.70 2.65 0.00 0.00 6.70 6.68 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 11 K 9.30 4.67 0.00 1.80 1.55 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.37 7.81 12 V 8.45 4.93 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 0.85 0.00 0.00 0.94 0.00 0.00 13 A 9.60 4.95 1.16 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 14 V 8.60 4.28 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 0.95 0.00 0.00 0.92 0.00 0.00 15 T 8.45 4.15 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 1.25 0.00 0.00 16 G 8.98 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 0.00 0.00 0.00 17 E 7.91 4.11 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 2.26 2.22 0.00 18 K 8.52 4.74 0.00 1.76 1.66 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.36 7.81 19 V 8.72 4.38 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 0.80 0.00 0.00 0.86 0.00 0.00 20 T 8.47 4.90 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 1.16 0.00 0.00 21 L 8.73 4.73 0.00 0.52 1.20 0.09 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.18 5.27 0.00 4.05 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 23 C 9.09 5.42 0.00 2.85 3.17 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 0.00 24 Q 9.52 5.53 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.43 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 25 Q 9.01 5.22 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 26 T 8.90 4.46 4.19 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 0.00 0.00 0.00 1.25 0.00 0.00 27 N 8.24 4.42 0.00 2.26 2.24 0.00 0.00 7.10 8.00 0.00 0.00 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 N 8.03 4.19 0.00 2.78 2.83 0.00 0.00 7.02 8.16 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 29 H 8.23 4.46 0.00 3.11 3.38 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.02 4.38 0.00 2.75 3.14 0.00 0.00 6.90 8.00 0.00 0.00 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 N 7.91 5.65 0.00 2.91 2.50 0.00 0.00 7.37 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 32 M 7.69 5.26 0.00 1.80 1.25 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 33 Y 8.78 5.09 0.00 2.88 2.34 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 34 W 9.48 5.21 0.00 3.18 2.98 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 35 Y 9.89 5.57 0.00 3.17 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 36 R 8.93 5.00 0.00 1.47 1.45 0.00 2.78 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 37 Q 9.42 4.90 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 38 D 8.48 5.11 0.00 2.85 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.33 3.96 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 1.20 0.00 0.00 40 G 9.37 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 0.00 0.00 0.00 41 H 7.49 4.95 0.00 3.22 3.17 0.00 5.66 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 42 G 8.36 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 43 L 8.24 4.39 0.00 1.32 1.48 0.28 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.81 4.77 0.00 1.82 1.88 0.00 3.09 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 45 L 8.67 4.26 0.00 1.89 1.61 0.69 1.07 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 46 I 9.19 4.00 1.83 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.62 0.48 0.00 0.00 47 H 8.01 5.57 0.00 3.15 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.74 5.26 0.00 2.50 2.99 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 49 S 8.10 4.44 0.00 3.19 2.63 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 50 Y 9.77 4.64 0.00 3.09 2.88 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 51 G 7.01 4.01 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 0.00 0.00 0.00 52 V 7.78 3.79 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 0.87 0.00 0.00 0.99 0.00 0.00 53 G 9.13 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 54 N 7.92 5.18 0.00 2.73 2.81 0.00 0.00 6.83 7.27 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 55 T 8.32 4.79 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 1.33 0.00 0.00 56 E 8.87 4.57 0.00 1.16 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 1.83 2.02 0.00 57 K 8.81 4.35 0.00 1.69 1.77 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.49 7.81 58 G 8.73 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 9.18 4.81 0.00 2.64 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 60 I 7.14 4.86 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.97 0.94 0.00 0.00 61 P 0.00 4.13 0.00 2.14 2.21 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 62 D 7.62 4.33 0.00 2.54 2.69 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 63 G 8.60 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.61 5.41 0.00 3.12 2.91 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 66 E 9.03 4.86 0.00 1.77 1.77 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 2.19 2.19 0.00 67 A 8.11 4.86 1.06 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 68 S 8.94 4.47 0.00 3.87 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 69 R 8.68 5.21 0.00 1.96 1.76 0.00 3.59 0.00 0.00 3.04 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 70 P 0.00 4.45 0.00 2.24 2.18 0.00 4.17 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 71 S 7.53 4.59 0.00 4.09 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 72 Q 8.75 4.21 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.07 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 73 E 7.79 4.22 0.00 2.33 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 0.00 2.27 2.39 0.00 74 Q 7.68 5.15 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 75 F 9.15 5.35 0.00 2.92 2.88 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 76 S 9.20 5.08 0.00 3.74 3.66 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 77 L 8.01 4.56 0.00 0.27 0.13 0.66 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.46 4.70 1.77 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 1.13 0.30 0.82 0.00 0.00 79 L 8.80 4.62 0.00 1.57 1.44 0.72 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.27 3.56 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 0.59 0.00 0.00 0.88 0.00 0.00 81 S 7.79 4.44 0.00 3.81 3.66 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 82 A 9.12 4.62 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 83 T 8.60 4.80 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 1.21 0.00 0.00 84 P 0.00 4.35 0.00 2.20 2.18 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 85 S 8.02 4.30 0.00 4.00 4.01 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 86 Q 8.43 4.49 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 87 S 8.00 4.50 0.00 3.83 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 88 S 8.44 4.49 0.00 3.75 3.07 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 89 V 7.41 4.76 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 0.64 0.00 0.00 0.95 0.00 0.00 90 Y 9.09 5.26 0.00 3.05 3.16 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 91 F 9.86 5.40 0.00 3.21 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 92 C 9.53 4.52 0.00 1.34 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 93 A 8.62 5.25 0.61 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 0.00 0.00 94 S 8.85 5.31 0.00 4.00 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 95 G 8.87 4.72 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 0.00 0.00 0.00 96 V 8.46 4.53 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 0.71 0.00 0.00 0.95 0.00 0.00 97 G 8.59 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 98 G 8.77 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 99 T 7.81 4.41 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 100 L 8.27 4.92 0.00 1.41 1.00 0.79 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 9.13 4.34 0.00 2.94 2.98 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 *108 F 8.44 5.07 0.00 2.90 3.14 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 0.00 0.00 0.00 0.00 109 G 9.25 4.13 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 0.00 110 A 8.75 4.38 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 0.00 111 G 8.78 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 0.00 112 T 8.41 4.77 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 1.29 0.00 0.00 113 R 8.70 4.91 0.00 1.92 1.81 0.00 3.05 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 114 L 9.09 5.17 0.00 1.85 1.75 0.93 1.05 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 0.00 115 S 8.99 5.07 0.00 3.82 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.40 4.50 2.16 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 0.77 0.00 0.00 0.98 0.00 0.00 117 L 9.41 4.37 0.00 1.40 1.55 0.92 0.83 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 * Residues marked with a * may have inaccurate shift predictions.