NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2904 8.1727 120.1309 56.6670 34.4661 174.3487 3 L 4.5651 8.3118 124.4423 54.4590 43.4014 173.6286 4 A 4.5783 8.4208 124.7758 50.9893 24.1868 174.4313 5 V 4.5519 7.9223 117.9881 60.9255 34.7869 175.0161 6 V 3.8029 8.7448 128.2160 63.0512 31.4461 175.7187 7 T 4.4690 8.6568 116.9123 60.1554 69.4517 176.0040 8 G 3.9412 7.0314 107.8288 47.0147 0.0000 171.2390 9 Q 4.7956 8.1124 119.5284 55.0600 32.0438 175.0684 10 I 4.6467 8.7058 126.2898 59.4335 40.1975 175.0386 11 V 4.3500 8.3847 124.9352 61.4346 33.6958 174.9981 12 C 4.7193 8.6268 124.7793 57.9536 29.4907 173.9267 13 T 3.8698 8.6029 121.2111 66.1124 68.2506 175.6995 14 V 4.0850 7.5584 124.0865 61.1795 30.5577 174.0410 15 R 4.7381 7.8825 123.0024 54.1398 32.6816 173.9257 16 H 4.6044 8.5674 116.8775 55.9714 30.8043 175.4678 17 H 4.2089 9.4632 124.6696 59.4824 28.3482 177.5722 18 G 3.7143 8.0588 105.1112 47.8967 0.0000 174.7535 19 L 4.0414 8.1613 118.6539 55.5431 41.6795 177.9417 20 A 3.4809 8.3254 122.9328 54.1923 17.7092 177.7376 21 H 4.9185 8.6385 114.0709 56.9888 29.8246 173.5170 22 D 4.6586 7.4885 118.6198 54.1976 41.5367 176.6718 23 K 4.3118 8.3618 119.7661 56.4371 33.8828 175.9046 24 L 5.1527 8.4737 122.3749 52.4270 43.9182 174.1018 25 L 5.1706 8.5589 126.2394 55.7240 44.0418 176.8723 *27 V 4.7916 8.2628 109.3554 60.4864 33.2547 173.5428 28 E 4.7152 8.3233 124.4321 56.1908 33.0122 175.9942 *30 I 4.1456 8.4018 112.2655 60.3578 38.6250 174.3199 31 D 4.7054 8.0984 120.6642 51.0008 40.9528 175.8200 32 P 4.5295 0.0000 0.0000 63.7993 30.4503 176.7526 33 Q 4.6126 8.4241 115.2418 55.7606 30.2970 175.4407 34 G 4.1224 8.5841 106.7314 45.4872 0.0000 174.1855 35 N 4.3139 8.2298 118.1904 52.6947 38.7378 172.5753 36 P 4.5683 0.0000 0.0000 62.5540 32.2098 176.8152 37 D 4.2859 8.5072 120.6265 55.1931 41.1331 177.2277 38 G 3.9729 7.6119 108.3047 45.1878 0.0000 173.8605 39 Q 4.1708 7.6424 118.7463 55.4080 29.3298 174.7058 40 C 4.8860 7.9442 121.7809 57.6510 34.6690 171.7454 41 A 4.3656 7.8495 123.6947 51.8230 22.6820 175.3503 42 V 4.6088 8.5149 117.8700 61.2863 33.6954 174.7605 43 A 4.9584 8.9086 128.7429 50.0008 22.9363 174.7707 44 I 4.4537 8.3347 119.6593 60.4338 40.3078 174.4679 45 D 5.0454 8.8377 126.9854 52.9174 44.0705 175.0952 46 N 4.9939 9.0435 121.8359 52.5360 38.3980 175.0770 47 I 3.8066 8.2812 121.2531 60.7167 37.2097 176.3215 48 G 5.0780 7.8520 127.0700 46.6875 0.0000 172.3256 49 A 4.3826 7.9622 121.9779 51.0935 20.1707 177.6575 50 G 4.2052 8.9964 109.9228 43.0715 0.0000 172.6959 51 T 4.1486 8.3091 114.0274 63.7210 67.5234 173.3210 52 G 4.2133 9.3340 117.3119 45.4738 0.0000 173.8423 53 E 4.5416 8.1565 119.0473 56.1201 31.0822 176.3598 54 W 5.0581 8.9248 122.5114 56.3595 31.0400 175.8089 55 V 4.9853 8.6162 115.8693 59.7788 36.4630 174.3517 56 L 4.8509 8.9657 122.9293 53.5333 42.9850 176.0133 57 L 5.2198 8.8944 124.9986 53.1789 44.0582 176.6386 58 V 4.6071 8.6233 120.5837 60.0243 34.6064 174.7386 59 S 5.5411 8.0784 117.4637 56.7400 66.5284 174.2863 60 G 3.7965 8.4203 106.5976 44.8358 0.0000 173.7232 61 S 4.1364 8.6156 111.6487 61.4836 62.7655 177.7414 62 S 4.1419 8.1874 116.0022 61.3511 62.5828 176.1564 63 A 4.0084 8.0094 123.5684 55.1688 18.1730 179.8985 64 R 3.8894 7.7765 116.5262 59.4468 29.9445 179.2799 65 Q 3.9480 7.9941 115.6647 59.0923 28.9690 178.4517 66 A 4.1117 8.1280 120.3283 55.4297 18.3171 178.4830 67 H 4.4365 7.8546 116.3767 57.7496 30.0914 175.0199 68 K 4.6203 8.1342 119.9844 56.8682 38.4572 175.8648 69 S 4.5783 7.2040 108.6158 57.9438 65.8703 174.0399 70 E 4.0951 8.6847 118.6579 59.9615 29.3358 178.6794 71 T 4.2655 7.5341 105.9600 62.0461 68.5418 174.0487 72 S 4.5360 7.6484 119.0037 57.2452 63.9719 173.8007 73 P 4.6462 0.0000 0.0000 61.4514 29.8206 175.5321 74 V 4.5644 7.1589 113.6632 60.5177 36.2418 175.2388 75 D 4.9029 8.4785 118.2268 52.6807 41.7335 174.5404 76 L 5.0734 7.7113 121.9229 53.9040 45.5454 174.0952 77 C 5.3528 9.3500 127.0494 57.4082 35.1018 173.0586 78 V 4.4278 8.3890 126.5044 61.6808 31.2702 175.9730 79 I 4.3087 8.8793 118.7071 61.2395 39.1465 175.4725 80 G 4.1348 7.6271 107.9328 45.7348 0.0000 172.1358 81 I 5.0173 8.2295 121.4075 58.9346 39.1220 175.9851 82 V 3.7431 8.3860 128.2519 63.5908 31.3106 175.6620 83 D 4.7751 9.0121 127.9094 56.5479 42.1856 175.8395 84 E 5.1577 7.6177 112.9467 55.9847 32.0522 176.2696 85 V 4.3738 8.5539 120.4726 61.7339 34.5741 175.2872 86 V 4.9791 8.0731 121.2808 59.7068 34.6291 176.0625 87 S 4.4380 8.7295 109.2324 58.9262 63.0357 175.7321 88 G 3.8856 9.4285 115.2276 46.1833 0.0000 172.8084 89 G 3.9504 8.6208 107.7286 44.6673 0.0000 173.9344 90 Q 4.3224 7.6895 119.4858 54.2348 29.8581 175.2442 91 V 4.1425 8.1906 123.2349 62.1511 30.7245 175.3542 92 I 4.0596 8.9308 130.1159 63.8401 37.7174 176.5788 93 F 4.5640 7.7777 122.3684 56.8669 42.8321 172.6611 94 H 4.8181 6.7758 123.2396 54.0431 32.8108 172.5104 95 K 4.0080 8.9131 127.7850 55.9179 33.0053 176.7663 96 L 4.1307 8.2879 125.3449 55.0916 41.7112 176.7403 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 K 8.17 4.29 0.00 1.79 1.96 0.00 1.42 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.40 7.81 3 L 8.31 4.57 0.00 1.64 1.56 0.96 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.42 4.58 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 5 V 7.92 4.55 1.96 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 1.02 0.00 0.00 0.36 0.00 0.00 6 V 8.74 3.80 2.33 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 0.80 0.00 0.00 1.03 0.00 0.00 7 T 8.66 4.47 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 1.24 0.00 0.00 8 G 7.03 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 9 Q 8.11 4.80 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.59 0.00 10 I 8.71 4.65 1.87 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 1.11 0.66 0.91 0.00 0.00 11 V 8.38 4.35 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 0.83 0.00 0.00 0.94 0.00 0.00 12 C 8.63 4.72 0.00 2.95 2.83 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 13 T 8.60 3.87 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 14 V 7.56 4.08 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 0.84 0.00 0.00 0.94 0.00 0.00 15 R 7.88 4.74 0.00 1.92 2.01 0.00 3.07 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 16 H 8.57 4.60 0.00 3.17 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 9.46 4.21 0.00 3.24 3.36 0.00 5.72 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.06 3.71 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 0.00 0.00 0.00 19 L 8.16 4.04 0.00 1.94 1.70 0.92 0.75 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 20 A 8.33 3.48 1.25 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 0.00 0.00 21 H 8.64 4.92 0.00 3.13 3.27 0.00 5.71 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 22 D 7.49 4.66 0.00 2.72 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 23 K 8.36 4.31 0.00 1.78 1.73 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.58 7.81 24 L 8.47 5.15 0.00 1.78 1.55 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.56 5.17 0.00 1.82 1.48 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *27 V 8.26 4.79 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 0.66 0.00 0.00 0.95 0.00 0.00 28 E 8.32 4.72 0.00 1.95 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 2.18 2.36 0.00 *30 I 8.40 4.15 1.61 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 0.93 0.18 0.72 0.00 0.00 31 D 8.10 4.71 0.00 2.84 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 32 P 0.00 4.53 0.00 2.26 2.22 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 33 Q 8.42 4.61 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 34 G 8.58 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.23 4.31 0.00 3.11 2.77 0.00 0.00 6.63 7.51 0.00 0.00 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 P 0.00 4.57 0.00 2.26 2.12 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 37 D 8.51 4.29 0.00 2.63 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 38 G 7.61 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 39 Q 7.64 4.17 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 40 C 7.94 4.89 0.00 2.85 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 41 A 7.85 4.37 1.17 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 0.00 0.00 42 V 8.51 4.61 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 0.85 0.00 0.00 0.92 0.00 0.00 43 A 8.91 4.96 1.19 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 0.00 0.00 0.00 44 I 8.33 4.45 1.80 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 0.96 1.26 0.93 0.00 0.00 45 D 8.84 5.05 0.00 2.83 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 46 N 9.04 4.99 0.00 2.83 3.19 0.00 0.00 6.31 7.81 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 47 I 8.28 3.81 2.02 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 0.57 0.93 0.00 0.00 48 G 7.85 5.08 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 49 A 7.96 4.38 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 50 G 9.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.31 4.15 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 1.24 0.00 0.00 52 G 9.33 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.54 0.00 2.16 2.04 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 2.45 2.53 0.00 54 W 8.92 5.06 0.00 2.68 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 55 V 8.62 4.99 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 0.96 0.00 0.00 0.91 0.00 0.00 56 L 8.97 4.85 0.00 1.53 1.59 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.89 5.22 0.00 1.43 1.55 0.87 0.87 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 58 V 8.62 4.61 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 1.00 0.00 0.00 0.93 0.00 0.00 59 S 8.08 5.54 0.00 3.86 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 60 G 8.42 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 61 S 8.62 4.14 0.00 3.86 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 62 S 8.19 4.14 0.00 4.06 3.90 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 63 A 8.01 4.01 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 64 R 7.78 3.89 0.00 1.97 2.18 0.00 3.42 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 1.82 1.70 0.00 65 Q 7.99 3.95 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.07 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 66 A 8.13 4.11 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 67 H 7.85 4.44 0.00 3.27 3.47 0.00 5.95 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.13 4.62 0.00 1.61 1.69 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.27 7.81 69 S 7.20 4.58 0.00 4.00 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 70 E 8.68 4.10 0.00 2.02 2.04 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 2.40 2.24 0.00 71 T 7.53 4.27 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 72 S 7.65 4.54 0.00 4.05 3.89 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 0.00 0.00 0.00 73 P 0.00 4.65 0.00 2.22 2.13 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.59 0.00 74 V 7.16 4.56 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 0.61 0.00 0.00 0.88 0.00 0.00 75 D 8.48 4.90 0.00 2.72 2.81 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 76 L 7.71 5.07 0.00 1.66 1.48 0.95 0.78 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 77 C 9.35 5.35 0.00 2.94 2.70 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 78 V 8.39 4.43 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 0.89 0.00 0.00 0.95 0.00 0.00 79 I 8.88 4.31 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 1.16 0.80 0.92 0.00 0.00 80 G 7.63 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 81 I 8.23 5.02 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.62 1.10 0.00 0.00 82 V 8.39 3.74 2.24 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 0.96 0.00 0.00 1.05 0.00 0.00 83 D 9.01 4.78 0.00 2.64 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 84 E 7.62 5.16 0.00 1.89 1.61 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 1.98 2.14 0.00 85 V 8.55 4.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.13 0.00 0.00 86 V 8.07 4.98 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 0.58 0.00 0.00 0.95 0.00 0.00 87 S 8.73 4.44 0.00 3.82 3.72 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 88 G 9.43 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.62 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 90 Q 7.69 4.32 0.00 2.32 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 91 V 8.19 4.14 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 0.80 0.00 0.00 0.92 0.00 0.00 92 I 8.93 4.06 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.70 1.05 0.00 0.00 93 F 7.78 4.56 0.00 2.12 2.33 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 94 H 6.78 4.82 0.00 2.89 2.74 0.00 5.80 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 95 K 8.91 4.01 0.00 2.07 1.67 0.00 2.04 0.00 0.00 1.77 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.53 7.81 96 L 8.29 4.13 0.00 1.65 1.51 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.