NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.1418 8.3444 119.6696 55.7372 29.8401 174.0977 3 Y 3.9697 7.9062 122.3282 56.1938 39.7012 173.5039 4 F 5.1923 7.0767 124.8815 54.6251 43.1649 175.1645 5 S 4.3694 8.7292 122.8205 57.3290 64.7218 173.6913 6 P 4.1914 0.0000 0.0000 65.6974 31.1806 178.6591 7 E 4.1159 8.3359 117.7264 59.1371 29.5920 178.7258 8 Q 4.2165 7.7637 117.2194 58.8981 28.7813 178.3947 9 Q 4.0272 8.1608 119.2097 59.4047 28.7314 177.2981 10 Y 3.9769 8.3825 120.8870 60.6747 38.7483 177.6689 11 N 3.9068 8.2381 115.8695 56.4752 38.6249 177.2606 12 A 3.9942 7.8372 121.7365 55.0244 18.4191 179.5361 13 W 3.8484 8.4306 127.1476 60.3019 30.7018 178.3336 14 I 3.5344 7.6333 119.9532 64.3400 36.5364 177.9682 15 V 3.4626 7.4172 118.4822 66.6707 31.3694 178.0128 16 S 3.9180 7.5793 114.1448 61.7689 62.6792 176.4110 17 D 4.1397 7.5865 120.3363 56.6023 40.8366 178.4350 18 L 3.8961 8.3213 120.2788 57.7900 41.5157 179.7451 19 V 3.4733 7.3825 117.5898 64.6637 31.3848 177.9966 20 K 3.8482 7.6981 119.8675 59.4769 32.1734 178.7043 21 Q 4.1498 8.3560 118.5216 59.2582 28.1193 179.3875 22 I 3.8318 8.0961 120.8830 63.9214 37.0331 178.3566 23 F 3.7605 8.4929 122.2043 60.4578 40.0953 174.6506 24 H 5.0599 7.3916 119.3919 53.4020 28.2069 173.0044 25 K 4.3811 8.2143 132.7115 56.9578 35.4770 175.9846 26 R 3.8604 7.5241 116.9906 58.7968 30.5647 176.7326 27 A 4.3218 8.2077 120.6074 51.0892 19.8940 178.6365 28 G 3.7629 8.5067 108.5471 48.5029 0.0000 175.6665 29 C 4.8221 7.5144 117.0264 56.7471 28.7686 176.5044 30 S 4.5524 8.6240 108.2402 56.0408 64.6748 172.0490 31 P 3.3431 0.0000 0.0000 62.5500 31.4478 175.8958 32 G 4.1246 7.5966 103.1071 42.1752 0.0000 173.2243 33 I 3.6535 8.2659 123.7183 64.8243 37.3459 178.3317 34 H 4.3641 8.1296 118.1725 59.4774 29.8414 175.9302 35 E 3.8724 8.2876 120.5432 59.1821 29.4038 178.0482 36 L 3.7668 8.5256 120.6482 58.1786 41.9509 179.6520 37 A 3.8186 7.4427 119.3205 55.2237 18.3471 179.8116 38 V 3.4979 7.5959 116.4203 66.0323 31.0417 177.9713 39 F 4.0144 8.5517 120.2699 60.8671 39.2493 176.5286 40 A 4.4196 8.0266 119.3513 53.6052 18.5225 178.9415 41 E 4.1799 7.9215 120.0518 58.3949 29.7775 178.3500 42 E 3.8584 8.0378 116.5549 59.5909 29.7216 177.6440 43 H 4.0556 7.2882 115.0093 57.0623 29.0772 176.0132 44 F 4.7055 7.5500 113.8595 56.2682 40.2359 174.0474 45 H 4.3583 8.2660 116.1780 56.7884 26.5614 174.5199 46 I 3.6118 8.0424 119.1015 60.0244 38.4445 175.2823 47 D 4.6222 8.2295 124.7353 52.9448 40.3625 176.9146 48 I 3.3465 7.8176 127.5092 63.8483 37.2052 177.0754 49 D 4.3604 8.1856 119.2651 57.5270 40.6731 178.1904 50 F 4.1527 8.3653 120.1298 61.7014 39.2915 177.4185 51 V 3.3088 7.7785 117.1429 66.1918 31.0956 178.0488 52 F 4.5712 8.3060 116.2014 60.6538 39.1204 177.4295 53 S 4.8960 8.1683 116.2148 61.2098 62.4328 176.8195 54 I 2.9150 6.8865 120.5849 64.0929 36.8622 178.1293 55 I 3.9112 7.0653 116.3225 62.9471 36.8235 176.3032 *57 N 5.3452 7.7180 116.8595 52.9276 40.7639 174.0069 58 I 3.9958 7.5859 118.6460 62.5224 38.1023 175.0547 59 G 4.3438 8.7252 112.0349 45.8557 0.0000 172.5635 60 D 5.0138 8.3226 120.1560 52.6695 43.3534 175.1757 61 I 4.7480 7.8047 118.1539 59.8881 40.6975 173.9970 62 E 4.1506 8.3872 123.4110 59.2602 30.2415 179.3228 63 F 4.6676 7.8006 119.5379 57.4300 37.8333 177.9876 64 A 4.7596 7.7490 124.2181 50.8151 18.9584 177.5611 65 L 4.7010 8.0074 123.8083 54.8245 42.6461 175.6813 66 T 4.6533 8.8759 114.3262 63.6510 76.4400 175.1793 67 D 4.3190 7.9559 120.9102 56.7279 40.7731 178.5423 68 E 3.7990 7.5792 116.3685 58.9708 29.6587 178.4216 69 I 4.0131 7.7086 114.4735 62.5957 38.1714 175.4875 70 E 3.9254 7.9362 118.2013 58.4156 30.3629 177.5739 71 K 3.8423 7.5750 119.4937 58.4407 32.2269 178.7554 72 K 3.6317 7.6108 120.7744 59.2301 32.3918 178.4363 73 L 4.0440 7.8288 119.0143 57.8156 41.4983 179.5248 74 S 4.4550 9.1172 114.9149 61.3722 62.3560 176.7775 75 G 3.5818 7.6466 109.0861 47.8196 0.0000 175.3779 76 Y 4.5386 7.5856 119.1571 60.9209 37.9224 177.9453 77 L 4.0560 8.0318 119.9553 58.3388 41.6238 179.6451 78 S 4.3279 8.1283 113.7970 62.3532 62.8616 176.9544 79 T 4.1917 7.6057 116.6180 65.9771 68.4799 176.0254 80 L 4.4918 7.7977 119.8581 56.2530 42.3775 178.5682 81 L 4.0191 8.4283 119.6137 57.6800 41.4355 177.6617 82 P 4.1313 0.0000 0.0000 65.8368 31.2368 176.7378 83 Y 4.6008 7.9042 112.3870 58.1389 38.2078 175.5716 84 V 4.5235 8.0170 114.1216 59.6179 34.3408 175.7366 85 T 4.4074 8.1633 112.9387 60.1058 71.2015 174.4864 86 A 4.1613 8.5779 122.9902 55.8596 18.5127 180.8055 87 D 4.6287 8.0766 112.8801 55.1256 40.5612 178.3523 *89 F 4.5006 8.2168 122.0463 58.3814 41.0761 176.8724 90 E 4.0843 8.5470 119.9614 59.7295 29.1410 179.6438 91 T 3.9170 8.4450 116.5825 66.6186 68.4472 176.9347 92 S 4.7198 7.8292 117.0900 60.7653 63.1850 176.4976 93 K 3.7531 8.1738 122.1107 58.9893 31.7226 179.0542 94 A 4.0410 8.3000 121.2123 55.5149 18.1818 179.3011 95 N 4.2232 8.0937 113.1792 56.4211 38.9029 177.2637 96 A 2.9380 8.1290 122.1158 55.2980 18.5740 179.2961 97 H 4.1521 8.1642 114.2896 59.1293 28.5573 177.9297 98 A 4.0008 7.9556 121.8280 54.9260 18.2478 179.0138 99 F 4.1766 7.6962 117.9906 59.5122 39.8840 175.7294 100 L 4.2868 7.2035 118.7440 53.9217 41.6784 175.5713 101 S 4.4455 7.2215 112.0640 56.8175 67.4351 173.6757 *107 A 3.8321 8.2880 123.0197 52.0119 19.2158 175.9470 108 A 4.5376 8.0444 124.9805 50.4493 21.1105 175.6812 109 Y 4.5167 7.8963 118.2225 56.0618 40.9196 174.7712 110 H 4.6970 9.8791 123.0929 55.1967 30.7279 174.8380 111 L 4.5640 8.3663 127.0831 53.5950 42.4291 176.6822 112 F 4.4851 9.8562 124.2148 59.3552 39.3763 175.6804 113 V 3.7237 8.8104 124.0212 63.4719 32.3439 172.6052 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 Q 8.34 4.14 0.00 1.74 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.53 0.00 3 Y 7.91 3.97 0.00 3.03 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 4 F 7.08 5.19 0.00 2.89 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 5 S 8.73 4.37 0.00 4.20 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 6 P 0.00 4.19 0.00 2.46 2.14 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 7 E 8.34 4.12 0.00 2.35 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 0.00 2.69 2.57 0.00 8 Q 7.76 4.22 0.00 2.48 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 9 Q 8.16 4.03 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 10 Y 8.38 3.98 0.00 2.50 2.86 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 11 N 8.24 3.91 0.00 2.07 2.40 0.00 0.00 7.06 8.17 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 12 A 7.84 3.99 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 13 W 8.43 3.85 0.00 3.44 3.12 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 14 I 7.63 3.53 1.76 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.17 0.59 0.00 0.00 15 V 7.42 3.46 2.22 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 0.99 0.00 0.00 1.05 0.00 0.00 16 S 7.58 3.92 0.00 3.56 3.52 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 17 D 7.59 4.14 0.00 2.66 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 18 L 8.32 3.90 0.00 1.70 1.65 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.38 3.47 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 0.67 0.00 0.00 1.10 0.00 0.00 20 K 7.70 3.85 0.00 1.92 1.83 0.00 1.50 0.00 0.00 1.45 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.25 1.23 7.81 21 Q 8.36 4.15 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 22 I 8.10 3.83 2.13 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.22 1.17 0.00 0.00 23 F 8.49 3.76 0.00 2.41 2.86 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 24 H 7.39 5.06 0.00 3.37 3.21 0.00 5.90 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.21 4.38 0.00 1.93 1.96 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.23 1.23 7.81 26 R 7.52 3.86 0.00 1.92 1.87 0.00 3.29 0.00 0.00 3.32 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 27 A 8.21 4.32 0.99 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 28 G 8.51 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 0.00 0.00 0.00 29 C 7.51 4.82 0.00 3.07 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 0.00 0.00 0.00 0.00 30 S 8.62 4.55 0.00 3.87 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 31 P 0.00 3.34 0.00 1.58 1.11 0.00 3.37 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.63 0.00 32 G 7.60 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 33 I 8.27 3.65 1.85 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 1.41 0.75 0.90 0.00 0.00 34 H 8.13 4.36 0.00 3.25 3.31 0.00 5.88 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.29 3.87 0.00 2.03 1.84 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 2.56 2.47 0.00 36 L 8.53 3.77 0.00 1.39 1.64 0.73 1.13 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 37 A 7.44 3.82 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 38 V 7.60 3.50 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 1.03 0.00 0.00 0.89 0.00 0.00 39 F 8.55 4.01 0.00 3.40 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 40 A 8.03 4.42 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 41 E 7.92 4.18 0.00 2.05 1.88 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 2.39 2.26 0.00 42 E 8.04 3.86 0.00 1.98 1.94 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 2.24 1.72 0.00 43 H 7.29 4.06 0.00 2.65 2.10 0.00 5.61 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.55 4.71 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 45 H 8.27 4.36 0.00 3.26 3.37 0.00 5.66 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.04 3.61 1.73 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 0.48 1.19 -0.21 0.00 0.00 47 D 8.23 4.62 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.82 3.35 1.58 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.28 -0.29 0.00 0.00 49 D 8.19 4.36 0.00 2.92 2.80 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 50 F 8.37 4.15 0.00 3.28 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.31 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 0.93 0.00 0.00 1.17 0.00 0.00 52 F 8.31 4.57 0.00 3.12 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 53 S 8.17 4.90 0.00 3.98 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 54 I 6.89 2.92 1.60 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.36 0.59 0.00 0.00 55 I 7.07 3.91 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.63 1.08 0.00 0.00 *57 N 7.72 5.35 0.00 2.80 2.95 0.00 0.00 7.40 7.94 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 58 I 7.59 4.00 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 1.38 0.99 0.95 0.00 0.00 59 G 8.73 4.34 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 60 D 8.32 5.01 0.00 2.73 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 61 I 7.80 4.75 2.11 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.82 1.26 0.00 0.00 62 E 8.39 4.15 0.00 1.96 1.74 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 2.26 2.33 0.00 63 F 7.80 4.67 0.00 3.03 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 64 A 7.75 4.76 1.50 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 65 L 8.01 4.70 0.00 1.86 1.07 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.88 4.65 4.28 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 1.25 0.00 0.00 67 D 7.96 4.32 0.00 2.70 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 68 E 7.58 3.80 0.00 2.05 1.56 0.00 0.00 0.00 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 2.31 0.00 69 I 7.71 4.01 2.05 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 1.67 1.16 1.05 0.00 0.00 70 E 7.94 3.93 0.00 1.69 1.72 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 1.70 1.47 0.00 71 K 7.57 3.84 0.00 1.94 1.94 0.00 1.20 0.00 0.00 1.44 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.39 7.81 72 K 7.61 3.63 0.00 1.66 1.58 0.00 0.91 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.71 1.01 7.81 73 L 7.83 4.04 0.00 2.14 2.00 1.11 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 74 S 9.12 4.46 0.00 4.13 4.34 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 75 G 7.65 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 76 Y 7.59 4.54 0.00 3.22 2.90 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 77 L 8.03 4.06 0.00 2.02 1.85 1.09 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.13 4.33 0.00 3.91 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 79 T 7.61 4.19 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 80 L 7.80 4.49 0.00 1.82 1.64 0.74 -0.61 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 81 L 8.43 4.02 0.00 1.65 1.74 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.13 0.00 1.50 1.85 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 83 Y 7.90 4.60 0.00 3.18 3.06 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 84 V 8.02 4.52 2.19 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 0.84 0.00 0.00 1.15 0.00 0.00 85 T 8.16 4.41 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 86 A 8.58 4.16 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 87 D 8.08 4.63 0.00 2.75 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 *89 F 8.22 4.50 0.00 3.30 3.29 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 90 E 8.55 4.08 0.00 2.24 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 0.00 2.64 2.60 0.00 91 T 8.45 3.92 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 1.24 0.00 0.00 92 S 7.83 4.72 0.00 3.96 4.03 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 0.00 0.00 0.00 0.00 93 K 8.17 3.75 0.00 1.98 2.04 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.38 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.08 1.18 7.81 94 A 8.30 4.04 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 95 N 8.09 4.22 0.00 3.05 3.15 0.00 0.00 7.11 6.69 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 96 A 8.13 2.94 1.05 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 97 H 8.16 4.15 0.00 3.46 3.43 0.00 5.82 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 98 A 7.96 4.00 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 99 F 7.70 4.18 0.00 2.08 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 0.00 0.00 0.00 0.00 100 L 7.20 4.29 0.00 1.57 1.48 0.60 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.22 4.45 0.00 3.74 3.68 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 *107 A 8.29 3.83 1.04 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 0.00 0.00 108 A 8.04 4.54 1.10 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 0.00 0.00 109 Y 7.90 4.52 0.00 1.44 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 0.00 110 H 9.88 4.70 0.00 3.13 3.74 0.00 5.74 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.37 4.56 0.00 1.78 1.72 1.21 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 9.86 4.49 0.00 2.95 2.97 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 0.00 113 V 8.81 3.72 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 0.76 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.