NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 D 4.7281 8.3493 119.5614 53.5649 41.7889 173.4801 17 L 4.3717 7.6192 115.0667 55.6598 43.2479 171.4984 18 I 4.3248 8.6261 119.8239 61.1068 38.8976 177.1290 19 W 4.8235 9.0827 135.0000 55.9735 33.7936 174.3165 20 G 4.0775 6.3411 108.4908 44.9739 0.0000 172.0934 21 C 4.3451 7.0215 115.3209 56.0252 33.5819 171.8695 22 E 4.9362 8.4858 120.5723 54.6327 30.9720 174.9184 23 L 5.1677 8.5680 127.0459 53.6754 44.7733 175.1180 24 N 5.0167 8.9110 118.4137 52.2025 40.1709 173.7248 25 E 4.0241 8.8944 120.1673 60.0162 29.0230 178.7772 26 Q 4.2103 8.3565 116.1662 58.1460 29.3915 176.0910 27 N 5.0395 8.8023 115.8213 51.0332 38.8861 174.7401 28 K 4.2585 8.1835 121.2393 58.4490 33.8377 176.7020 29 T 5.2238 7.9555 115.8269 61.5353 71.8003 173.2954 30 F 4.7217 9.4448 127.8811 56.4165 42.5208 172.9079 31 E 4.8063 8.3546 127.4650 55.0941 31.1697 174.8145 32 F 5.1816 9.3661 130.1532 56.7021 40.7342 174.3780 33 K 4.4089 8.2062 126.8053 56.4028 36.0292 178.5979 34 V 3.8688 8.2381 119.2762 61.6778 32.3909 179.3645 *42 E 4.2457 9.0320 116.1640 58.4970 31.2934 175.4899 43 H 5.4561 7.8392 124.3722 58.0770 31.4126 174.0509 44 Q 4.9163 8.1331 123.8995 53.9057 32.4006 174.3993 45 L 4.6479 9.2347 125.0809 53.3617 44.1000 174.9949 46 A 4.9943 8.5540 129.5373 50.6153 19.9099 176.5629 47 L 4.4976 8.4301 122.9482 55.7567 42.3878 176.4286 48 R 4.6448 9.0737 118.1373 57.4993 32.7720 175.6465 49 T 5.1504 7.9928 106.7116 60.1264 73.2006 172.1244 50 V 5.0234 8.5258 121.6086 61.3938 34.9127 174.0130 51 C 5.2348 9.1292 120.8809 57.2261 33.3653 172.5577 52 L 4.8495 8.2484 120.2339 53.1072 43.1904 177.0928 53 G 4.0468 8.5391 110.1583 45.9392 0.0000 174.5742 54 D 4.5775 8.9007 120.4133 55.1352 39.8184 177.2409 55 K 4.4049 7.8511 117.6918 55.8485 32.3514 176.1552 56 A 4.3583 7.5445 121.8503 51.3666 18.7468 178.7294 57 K 4.1722 7.7861 120.2528 56.6893 32.8605 177.5745 58 D 4.7677 8.1884 122.3629 52.7529 39.3080 174.5197 59 E 4.6024 7.6215 119.7764 54.0120 34.1861 174.9998 60 F 4.3629 8.5221 119.3846 57.8993 39.7948 174.6034 61 H 4.9862 9.8308 121.6507 54.0905 31.0603 173.5455 62 I 5.2374 8.4463 124.1695 59.3536 40.2951 174.8386 63 V 4.9516 9.2411 126.7000 59.8294 34.0110 174.5239 64 E 5.3088 9.4887 121.4897 54.6986 33.5021 174.3585 65 I 4.7716 8.5690 121.6261 59.7941 39.8464 174.9035 66 V 4.9293 8.3552 126.1063 61.2153 34.2007 173.8395 67 D 5.0185 8.9427 126.0646 52.8882 45.3772 173.7370 68 Q 4.8126 8.6002 123.3032 55.4771 30.0657 176.1992 69 E 4.8649 8.4452 121.1812 56.1535 34.0670 176.1795 70 E 4.2472 8.8474 116.9320 56.5915 28.7908 177.1987 71 G 3.9965 8.7988 113.0474 45.3948 0.0000 171.5776 72 A 4.6855 7.7359 120.8287 49.5983 22.2544 175.5532 73 E 4.7370 8.7672 123.3397 56.1139 30.4989 176.3693 74 K 4.5407 9.2511 131.5888 54.0751 33.8524 172.0141 75 S 5.1592 8.6847 121.0227 56.0160 65.0167 173.9143 76 V 4.2895 8.8463 126.2797 60.1088 33.4746 172.9560 77 P 4.9323 0.0000 0.0000 63.3136 31.2111 176.4217 78 I 4.6837 9.0233 115.9701 60.4242 39.6605 175.5536 79 A 4.6353 7.8875 124.8448 51.1928 22.4319 174.8481 80 T 5.1857 8.6166 119.5223 62.0274 70.8560 173.8896 81 L 4.9034 8.7285 124.3798 53.8274 47.3264 174.7188 82 K 4.5675 8.7232 118.2839 56.0314 35.4603 174.3993 83 P 4.2687 0.0000 0.0000 65.3778 31.3684 177.2722 84 S 4.5165 7.7157 109.7261 58.5469 63.7910 174.2358 85 I 4.1589 7.5141 119.9498 62.3388 38.7302 176.3648 86 L 4.2380 8.2404 128.5636 54.0355 42.9452 173.3245 87 P 4.6169 0.0000 0.0000 63.2936 32.0630 175.1655 88 M 5.2574 7.4660 114.8759 54.6302 34.5285 173.6478 89 A 4.7493 8.7973 119.8200 50.6944 23.1423 175.4365 90 T 4.5347 8.5206 118.1582 63.3204 69.5641 174.2179 91 M 4.5393 9.0502 126.8587 54.1796 33.6513 176.1391 92 V 4.2898 7.9153 121.6935 62.1617 34.7509 175.4909 93 G 3.9865 8.8830 112.7431 46.2293 0.0000 172.9726 94 I 4.1579 7.2838 120.1366 60.6531 38.0298 174.8070 95 E 5.1597 8.7741 126.4709 54.4879 32.4285 175.5114 96 L 4.9088 9.1548 123.5121 53.0311 46.5168 175.0986 97 D 5.0180 8.5599 121.3199 52.2450 41.9934 174.7758 98 P 4.4152 0.0000 0.0000 62.7545 31.8707 174.0761 99 P 4.9186 0.0000 0.0000 62.0764 33.0931 175.4623 100 V 4.4946 8.3857 113.5362 60.2084 36.4972 174.3334 101 T 4.9670 8.2568 119.7605 62.1337 71.1872 173.5584 102 F 5.5134 9.0660 123.0275 55.8498 42.2882 174.5828 103 R 5.0527 9.1645 122.9012 54.7465 33.5033 174.2262 104 L 4.2990 8.7441 129.6711 53.5405 39.9483 175.4972 105 K 4.1578 8.6026 124.4124 58.6680 32.9955 175.7545 106 A 4.6981 8.1777 119.4024 50.7535 23.0383 176.7282 107 G 3.9269 9.0477 103.7970 45.7709 0.0000 173.7830 108 S 4.2667 8.6687 113.2434 57.5635 63.8115 175.8753 109 G 4.1589 8.0135 110.0530 43.6234 0.0000 170.3258 110 P 4.4185 0.0000 0.0000 62.4143 32.6597 175.6890 111 L 4.6861 8.4202 124.6548 53.4811 45.2175 174.5261 112 Y 5.1326 8.7528 124.3425 56.4887 40.4989 174.6777 113 I 4.8758 8.3786 124.1612 59.4111 40.4920 174.8863 114 S 4.9385 8.4853 120.3373 56.9994 66.7963 172.9247 115 G 4.3677 8.6603 106.6664 46.1055 0.0000 171.7819 116 Q 5.3027 8.6125 117.6538 52.9086 32.7672 174.8569 117 H 4.5965 8.8273 121.3069 56.1398 29.3216 175.6353 118 V 4.0889 8.8035 123.7019 62.9044 31.1831 175.1941 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 16 D 8.35 4.73 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 4.37 0.00 1.75 1.83 1.06 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.63 4.32 1.86 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 1.18 0.65 0.89 0.00 0.00 19 W 9.08 4.82 0.00 3.03 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 20 G 6.34 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 21 C 7.02 4.35 0.00 2.01 1.20 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 22 E 8.49 4.94 0.00 2.11 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 2.14 2.08 0.00 23 L 8.57 5.17 0.00 1.61 1.59 1.07 0.56 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 24 N 8.91 5.02 0.00 2.74 2.82 0.00 0.00 6.83 7.20 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 25 E 8.89 4.02 0.00 2.13 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 0.00 2.34 2.33 0.00 26 Q 8.36 4.21 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 27 N 8.80 5.04 0.00 2.70 2.78 0.00 0.00 7.01 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 28 K 8.18 4.26 0.00 1.80 1.91 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.56 1.57 7.81 29 T 7.96 5.22 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 1.27 0.00 0.00 30 F 9.44 4.72 0.00 3.35 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 31 E 8.35 4.81 0.00 1.96 1.69 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 2.16 2.28 0.00 32 F 9.37 5.18 0.00 3.58 3.11 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 33 K 8.21 4.41 0.00 1.52 1.51 0.00 1.46 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.11 1.26 7.81 34 V 8.24 3.87 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 0.77 0.00 0.00 0.93 0.00 0.00 *42 E 9.03 4.25 0.00 2.01 1.86 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 2.13 1.91 0.00 43 H 7.84 5.46 0.00 3.29 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.13 4.92 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.56 2.33 0.00 45 L 9.23 4.65 0.00 1.28 1.32 -0.21 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.55 4.99 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 47 L 8.43 4.50 0.00 1.61 1.64 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 48 R 9.07 4.64 0.00 1.69 1.89 0.00 3.24 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 49 T 7.99 5.15 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 1.20 0.00 0.00 50 V 8.53 5.02 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 0.98 0.00 0.00 0.91 0.00 0.00 51 C 9.13 5.23 0.00 3.01 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 52 L 8.25 4.85 0.00 1.49 1.49 0.76 0.62 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 53 G 8.54 4.05 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 0.00 0.00 0.00 54 D 8.90 4.58 0.00 2.80 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 55 K 7.85 4.40 0.00 1.74 1.84 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.35 7.81 56 A 7.54 4.36 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 57 K 7.79 4.17 0.00 2.02 1.74 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.36 7.81 58 D 8.19 4.77 0.00 2.63 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 59 E 7.62 4.60 0.00 1.98 1.92 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 2.41 2.19 0.00 60 F 8.52 4.36 0.00 3.00 3.08 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 61 H 9.83 4.99 0.00 3.20 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.45 5.24 1.92 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 1.35 1.64 0.95 0.00 0.00 63 V 9.24 4.95 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 1.05 0.00 0.00 1.07 0.00 0.00 64 E 9.49 5.31 0.00 2.09 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 0.00 2.43 2.31 0.00 65 I 8.57 4.77 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.79 0.80 0.00 0.00 66 V 8.36 4.93 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 0.97 0.00 0.00 0.94 0.00 0.00 67 D 8.94 5.02 0.00 2.67 2.39 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 68 Q 8.60 4.81 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 69 E 8.45 4.86 0.00 1.90 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 1.99 1.91 0.00 70 E 8.85 4.25 0.00 1.98 1.83 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 2.23 1.87 0.00 71 G 8.80 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 0.00 0.00 0.00 72 A 7.74 4.69 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 73 E 8.77 4.74 0.00 1.98 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 2.26 2.30 0.00 74 K 9.25 4.54 0.00 1.43 1.66 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.31 1.28 7.81 75 S 8.68 5.16 0.00 3.72 3.96 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 76 V 8.85 4.29 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 1.09 0.00 0.00 0.94 0.00 0.00 77 P 0.00 4.93 0.00 1.99 2.02 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 78 I 9.02 4.68 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 1.02 0.00 0.00 79 A 7.89 4.64 1.26 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 0.00 0.00 0.00 80 T 8.62 5.19 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 1.33 0.00 0.00 81 L 8.73 4.90 0.00 1.58 1.66 0.91 0.75 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 82 K 8.72 4.57 0.00 1.36 1.33 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.62 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.00 0.96 7.81 83 P 0.00 4.27 0.00 2.01 2.06 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 84 S 7.72 4.52 0.00 3.92 3.92 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 85 I 7.51 4.16 1.91 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 1.19 0.92 0.99 0.00 0.00 86 L 8.24 4.24 0.00 1.66 1.55 0.94 0.99 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 87 P 0.00 4.62 0.00 2.24 2.23 0.00 3.75 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 2.03 1.93 0.00 88 M 7.47 5.26 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 89 A 8.80 4.75 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 0.00 0.00 0.00 0.00 0.00 90 T 8.52 4.53 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 91 M 9.05 4.54 0.00 1.87 2.07 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 92 V 7.92 4.29 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 1.02 0.00 0.00 0.94 0.00 0.00 93 G 8.88 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 94 I 7.28 4.16 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.77 0.97 0.00 0.00 95 E 8.77 5.16 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 2.31 2.30 0.00 96 L 9.15 4.91 0.00 1.50 1.50 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.56 5.02 0.00 2.56 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 98 P 0.00 4.42 0.00 1.89 1.82 0.00 3.77 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 99 P 0.00 4.92 0.00 2.17 1.94 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 100 V 8.39 4.49 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 0.69 0.00 0.00 0.93 0.00 0.00 101 T 8.26 4.97 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 1.26 0.00 0.00 102 F 9.07 5.51 0.00 3.33 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 0.00 103 R 9.16 5.05 0.00 1.90 1.78 0.00 3.12 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 104 L 8.74 4.30 0.00 1.74 1.63 1.03 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.60 4.16 0.00 1.85 2.01 0.00 2.04 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.50 7.81 106 A 8.18 4.70 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 0.00 107 G 9.05 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 0.00 108 S 8.67 4.27 0.00 4.01 4.20 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 0.00 109 G 8.01 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 0.00 110 P 0.00 4.42 0.00 1.54 1.80 0.00 3.45 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 111 L 8.42 4.69 0.00 1.56 1.37 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.75 5.13 0.00 2.89 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 0.00 113 I 8.38 4.88 1.44 0.00 0.00 0.59 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 0.63 0.76 0.00 0.00 114 S 8.49 4.94 0.00 3.78 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 0.00 115 G 8.66 4.37 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 0.00 116 Q 8.61 5.30 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 117 H 8.83 4.60 0.00 3.00 3.19 0.00 5.83 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.80 4.09 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 0.76 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.