NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.6351 8.3349 116.7409 58.6688 64.6655 172.5280 5 Y 4.7874 8.4345 118.3762 54.4972 41.8853 173.1946 6 S 5.1592 10.1829 118.3571 56.6686 67.5642 172.5515 7 I 4.7083 8.7460 122.0512 60.0465 40.5175 174.3282 8 T 5.0638 8.9598 124.3136 61.7952 70.8856 173.3818 9 L 5.8016 9.3596 126.5639 52.2744 44.7086 175.6451 10 R 4.9316 8.6093 121.4731 54.3547 33.5174 174.5602 11 V 4.7927 8.3469 122.9319 61.5909 33.3734 174.2187 12 Y 4.6612 9.4020 125.9160 56.3801 40.3831 174.4895 13 Q 5.1664 8.9208 123.7450 54.5011 30.0167 175.5005 14 T 4.5968 8.9581 112.7266 61.0985 71.7265 173.0636 15 N 5.0083 8.2768 120.5498 52.0274 39.7738 173.9364 16 R 4.4208 8.6638 123.9857 56.7868 30.4477 176.7027 17 D 4.7865 8.9156 120.4920 55.0293 42.5940 177.8236 18 R 4.3794 7.9526 115.1240 55.2313 30.1482 181.5163 19 G 4.0113 8.0407 104.6873 45.6663 0.0000 172.4474 20 Y 4.5275 8.6819 122.4979 55.9034 40.4876 174.5451 21 F 4.9204 7.9291 125.1039 56.2135 41.0372 175.1695 22 S 4.8194 8.3302 114.9408 56.5350 66.9157 173.1680 23 I 3.7912 8.2346 122.2020 61.4886 37.2766 176.3752 24 V 4.3406 8.1467 117.1677 61.0393 33.3677 175.2461 25 E 4.6747 7.4011 119.2312 55.2389 32.9872 174.2425 26 K 4.6434 8.4850 124.2955 55.0269 35.1948 175.5915 27 T 4.9444 8.7833 114.5969 59.8451 72.5824 172.9483 28 V 4.8906 8.2726 121.2832 60.9361 34.2407 175.0858 29 W 4.5551 9.3530 135.0000 57.5098 31.2276 176.0633 30 H 4.5037 6.2632 117.1113 55.4871 28.8168 175.3417 31 F 4.4624 6.6924 119.4557 57.8463 39.3161 174.1782 32 A 3.8072 9.2466 120.9326 53.5654 15.7811 177.7382 33 N 4.1797 9.0431 113.5515 55.5792 38.0132 175.9391 34 G 3.7293 7.9917 104.5054 46.3703 0.0000 172.6052 35 G 4.0874 7.8450 108.3241 47.1346 0.0000 171.7830 36 T 4.8792 8.0638 108.7659 60.0302 72.3082 173.2024 37 W 5.3499 8.8175 123.3114 55.9897 30.8924 175.4790 38 S 4.9249 9.3615 116.8195 57.0457 66.7968 172.3385 39 E 5.2158 8.6312 118.5120 54.6939 32.6487 175.5940 40 A 4.4346 9.3148 127.5544 53.0488 22.5436 176.5756 41 N 4.2853 9.8107 117.9507 53.3321 35.0736 173.6729 42 G 3.8789 8.5554 104.1900 46.3761 0.0000 173.6041 43 A 4.9657 8.0105 121.2115 50.1120 22.9499 175.3850 44 H 5.4362 9.2694 116.3637 54.4164 31.8081 173.4179 45 T 5.0451 9.1970 120.4322 61.6681 71.3962 172.8526 46 L 4.1075 8.6272 129.2929 53.7957 43.4777 175.7728 47 T 5.0229 7.9392 123.1461 61.1779 71.2062 175.8063 *49 G 3.7921 8.1092 109.8642 45.0974 0.0000 172.6079 50 G 4.0744 7.3399 105.4916 45.5163 0.0000 172.5493 51 S 3.8488 8.7184 113.8819 59.2980 62.7201 174.0506 52 G 4.3006 8.7151 115.2025 45.7618 0.0000 173.1212 53 T 4.9082 7.6191 114.0305 61.7258 70.5386 171.5668 54 S 4.7655 8.4732 113.9742 58.7535 66.2084 173.6529 55 G 4.1414 8.3661 105.4805 45.2012 0.0000 171.1980 *57 L 4.2822 8.4854 119.1993 54.5398 43.5586 175.8750 58 R 4.9914 8.3411 123.9659 55.0403 32.4934 175.1487 59 F 5.7408 9.4653 125.3126 54.9031 42.9871 174.1826 *61 S 4.0768 8.4241 113.0049 58.4946 63.9190 175.1067 62 T 3.8162 8.2528 110.2260 63.8643 68.3952 175.1636 63 K 4.2213 7.8559 120.0506 56.0325 32.3336 177.0004 64 G 3.8678 8.1314 107.3443 45.1459 0.0000 173.2797 65 E 4.2884 7.7707 121.0713 55.7986 30.3963 176.1033 66 R 5.1514 8.7400 125.0969 54.6229 33.4894 174.7455 67 I 5.1350 9.0745 123.8115 59.9074 42.0901 174.1708 68 T 5.2170 9.0401 116.0716 59.9739 71.7055 173.1277 69 V 4.9234 8.9730 123.9047 61.1821 33.8148 174.3721 70 A 4.9373 8.9420 129.8929 50.2828 21.5821 175.6355 71 V 4.1430 8.0031 114.0208 59.8695 36.5881 175.4683 72 G 4.0942 6.8172 107.8327 45.9567 0.0000 171.5058 73 V 4.9180 8.1960 119.1899 61.2723 34.8263 174.8909 74 H 4.9611 9.4647 127.5016 55.4582 32.1235 173.1471 75 N 3.8736 9.3846 125.5533 54.6069 35.9195 174.4561 76 Y 3.6594 7.6836 111.2810 58.1579 36.9358 170.1008 77 K 4.6881 7.6681 119.7908 53.9393 34.9258 175.9518 78 R 4.5911 8.1582 118.8061 56.2399 30.9948 175.1436 79 W 5.4369 9.1165 117.0673 54.6504 32.2271 173.1223 80 C 4.9734 8.6997 113.6833 57.8942 32.0135 172.2186 81 D 4.3430 8.5135 117.4065 53.3970 44.8642 174.0693 82 V 4.9715 8.2434 122.2271 61.1010 34.6609 174.5638 83 V 4.6265 8.8764 127.4338 61.3663 34.0227 174.5768 84 T 4.9162 8.5014 117.0247 59.6631 72.5971 173.8118 85 G 3.7728 8.6875 106.5955 46.5909 0.0000 173.8999 86 L 4.4329 7.5672 119.2950 53.8532 42.5940 177.7086 87 K 4.3498 9.2961 122.4652 55.2423 32.8651 176.4552 88 P 4.2663 0.0000 0.0000 65.6515 31.2448 177.2737 89 D 4.6588 7.9854 114.4139 53.7395 40.2116 177.0436 90 E 4.3398 7.7804 122.4015 55.4826 28.0606 175.5477 91 T 4.2688 7.4757 112.9427 60.4179 70.7289 176.5220 92 A 4.0893 9.6126 123.7753 55.1665 17.9163 179.6679 93 L 3.9660 7.8383 117.9430 58.1382 42.1140 179.1823 94 V 3.8161 7.5758 117.6813 65.8889 31.8970 177.7665 95 I 4.1205 7.5914 118.9906 64.0424 36.8154 177.4653 96 N 4.5652 8.5843 118.2902 56.5675 38.8414 175.1248 97 P 3.6004 0.0000 0.0000 64.7810 31.3823 178.1548 98 Q 4.0064 7.9568 116.7859 57.9373 28.4208 177.0106 99 Y 3.8205 7.2987 116.5411 57.6555 37.9976 174.1317 100 Y 4.9021 6.5964 116.5877 56.3994 41.8798 174.0101 101 N 4.2406 9.5336 114.7593 55.2661 36.5183 174.1623 102 N 4.2205 8.5509 109.0631 54.5415 36.1274 175.2872 103 G 3.7654 8.2730 103.8347 45.3155 0.0000 173.8063 104 G 4.0424 7.9695 108.6845 45.5708 0.0000 175.1727 105 R 4.3159 8.0119 116.6430 55.4827 31.2522 177.0305 106 D 4.4187 8.3102 121.8624 56.9253 40.4675 178.1815 107 Y 4.3128 7.9082 117.7841 59.3457 38.1618 178.4660 108 V 3.2011 6.5698 120.0699 65.5494 31.6091 177.8289 109 R 2.5671 7.1361 117.8604 59.1006 29.3590 178.1113 110 E 3.7928 7.7909 117.6331 58.6255 29.1316 179.2109 111 K 3.9549 7.5016 117.3550 56.8771 32.7830 176.6213 112 Q 3.7076 7.8241 116.6872 55.5676 26.4228 174.3055 113 L 4.1351 7.7224 116.7986 55.0477 42.7604 177.9840 114 A 4.6198 8.5473 123.5164 52.3580 20.0741 176.1145 115 E 5.2840 8.0102 111.3985 55.7614 32.4351 174.1899 116 Y 5.0323 8.9031 121.8914 56.6783 42.7275 173.5099 117 S 5.0057 7.4678 119.3822 56.8167 66.5163 173.3437 118 V 4.3652 8.3167 119.6235 60.8670 34.9909 172.8330 119 T 5.0742 8.2304 119.4832 61.6115 70.4316 174.7530 120 S 4.4324 9.4327 120.8115 57.1045 63.8834 175.1567 121 A 3.9944 8.5887 124.0940 54.8789 18.1343 178.5142 122 I 4.1449 7.7077 106.8756 60.9175 37.9785 176.2680 123 G 4.0323 8.3035 109.2173 45.6299 0.0000 173.3811 124 T 4.5863 8.1202 117.5595 62.1894 70.0566 173.7968 125 K 4.7745 8.8144 128.4503 55.3240 34.2530 175.3771 126 V 4.4973 8.7151 126.6618 60.9881 34.8271 173.8637 127 E 5.0679 8.7651 126.5258 54.4099 33.3072 174.7995 128 V 4.7155 8.8008 123.9193 61.0669 34.2726 174.4499 129 V 4.6343 8.5411 127.2844 61.1726 34.5576 173.9040 130 Y 4.6224 9.0942 127.2984 58.4310 37.5861 175.9968 131 T 4.3017 8.9360 115.2166 62.5666 70.6830 174.8813 132 V 4.3876 7.9934 121.5228 61.1542 33.7528 175.4630 133 A 4.5673 9.0117 131.9986 52.3757 19.7692 175.9444 134 E 4.7019 7.7983 111.1731 55.0300 33.9698 181.3961 135 G 3.9122 8.7681 106.1470 45.4035 0.0000 172.5332 136 N 4.2627 8.4281 113.5193 53.7676 39.8331 174.6763 137 N 4.8953 7.8732 115.8629 50.3345 38.4390 173.8455 138 L 4.7625 9.0994 122.8462 54.1801 44.2187 175.5948 139 E 5.2549 9.1724 119.6206 55.0043 34.1670 174.4682 140 A 4.9206 9.0693 124.2402 50.5459 23.2872 174.5690 141 N 5.2919 9.0312 117.8768 51.9550 41.2132 174.3966 142 V 4.5451 8.8436 123.2479 61.1998 34.0149 174.2561 143 I 4.9907 8.5621 129.2011 59.5890 40.3198 174.4583 144 F 5.0090 9.2000 126.9862 55.9256 41.2839 176.3783 145 S 4.5740 8.9851 117.2747 59.2038 63.0165 174.0398 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 4 S 8.33 4.64 0.00 3.74 3.87 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 0.00 0.00 0.00 5 Y 8.43 4.79 0.00 3.03 2.84 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 6 S 10.18 5.16 0.00 3.78 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 7 I 8.75 4.71 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.87 0.94 0.00 0.00 8 T 8.96 5.06 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 1.26 0.00 0.00 9 L 9.36 5.80 0.00 1.69 1.63 1.12 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.61 4.93 0.00 1.82 1.68 0.00 3.17 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 11 V 8.35 4.79 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.15 0.00 0.00 12 Y 9.40 4.66 0.00 2.90 2.87 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 0.00 0.00 0.00 13 Q 8.92 5.17 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.84 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 14 T 8.96 4.60 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 1.34 0.00 0.00 15 N 8.28 5.01 0.00 2.74 2.84 0.00 0.00 7.02 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 16 R 8.66 4.42 0.00 1.85 1.97 0.00 3.32 0.00 0.00 3.40 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 17 D 8.92 4.79 0.00 2.77 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 18 R 7.95 4.38 0.00 1.82 1.81 0.00 3.24 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.00 19 G 8.04 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 20 Y 8.68 4.53 0.00 2.99 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 21 F 7.93 4.92 0.00 2.08 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 22 S 8.33 4.82 0.00 3.83 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 23 I 8.23 3.79 1.57 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 -0.06 0.47 0.00 0.00 24 V 8.15 4.34 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 0.68 0.00 0.00 0.94 0.00 0.00 25 E 7.40 4.67 0.00 1.94 1.64 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 2.21 2.26 0.00 26 K 8.49 4.64 0.00 1.38 0.74 0.00 1.52 0.00 0.00 1.09 0.00 0.00 2.43 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.67 1.09 7.81 27 T 8.78 4.94 4.41 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 1.29 0.00 0.00 28 V 8.27 4.89 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 0.83 0.00 0.00 1.02 0.00 0.00 29 W 9.35 4.56 0.00 3.33 2.93 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 30 H 6.26 4.50 0.00 3.01 2.96 0.00 5.58 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 6.69 4.46 0.00 3.11 2.89 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 32 A 9.25 3.81 1.47 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 0.00 0.00 33 N 9.04 4.18 0.00 2.88 2.92 0.00 0.00 7.22 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 34 G 7.99 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 35 G 7.85 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.06 4.88 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 1.22 0.00 0.00 37 W 8.82 5.35 0.00 3.19 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 38 S 9.36 4.92 0.00 3.88 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 39 E 8.63 5.22 0.00 2.09 1.82 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 2.19 1.84 0.00 40 A 9.31 4.43 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 41 N 9.81 4.29 0.00 2.89 2.75 0.00 0.00 6.81 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 42 G 8.56 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 43 A 8.01 4.97 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 44 H 9.27 5.44 0.00 3.18 3.36 0.00 5.57 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 9.20 5.05 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 1.20 0.00 0.00 46 L 8.63 4.11 0.00 0.27 0.90 -0.05 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.94 5.02 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 1.19 0.00 0.00 *49 G 8.11 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 0.00 0.00 0.00 50 G 7.34 4.07 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 0.00 0.00 0.00 51 S 8.72 3.85 0.00 3.45 3.35 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 52 G 8.72 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 53 T 7.62 4.91 4.43 0.00 0.00 0.00 0.00 0.00 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 54 S 8.47 4.77 0.00 3.88 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 0.00 55 G 8.37 4.14 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 0.00 0.00 0.00 *57 L 8.49 4.28 0.00 1.47 0.89 0.64 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.34 4.99 0.00 1.89 1.70 0.00 3.08 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 59 F 9.47 5.74 0.00 3.07 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 *61 S 8.42 4.08 0.00 2.93 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 62 T 8.25 3.82 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 1.28 0.00 0.00 63 K 7.86 4.22 0.00 1.66 1.82 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.32 1.33 7.81 64 G 8.13 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.77 4.29 0.00 2.06 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 2.56 2.41 0.00 66 R 8.74 5.15 0.00 2.00 1.87 0.00 3.17 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 67 I 9.07 5.14 2.04 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 1.40 0.83 1.00 0.00 0.00 68 T 9.04 5.22 4.35 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 1.30 0.00 0.00 69 V 8.97 4.92 2.28 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 0.78 0.00 0.00 0.91 0.00 0.00 70 A 8.94 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.00 4.14 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 0.56 0.00 0.00 0.90 0.00 0.00 72 G 6.82 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.20 4.92 1.75 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 0.38 0.00 0.00 0.73 0.00 0.00 74 H 9.46 4.96 0.00 3.08 3.11 0.00 5.98 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.38 3.87 0.00 2.78 2.72 0.00 0.00 7.23 7.46 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 76 Y 7.68 3.66 0.00 3.17 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.67 4.69 0.00 1.95 1.65 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.36 7.81 78 R 8.16 4.59 0.00 1.37 1.71 0.00 2.61 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 79 W 9.12 5.44 0.00 3.25 3.02 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 0.00 0.00 0.00 80 C 8.70 4.97 0.00 3.03 3.03 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 81 D 8.51 4.34 0.00 2.90 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 82 V 8.24 4.97 2.37 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 0.88 0.00 0.00 1.01 0.00 0.00 83 V 8.88 4.63 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 1.06 0.00 0.00 1.02 0.00 0.00 84 T 8.50 4.92 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 1.25 0.00 0.00 85 G 8.69 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.57 4.43 0.00 1.77 1.65 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 87 K 9.30 4.35 0.00 1.79 1.74 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.53 7.81 88 P 0.00 4.27 0.00 2.05 2.14 0.00 3.68 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 2.04 2.10 0.00 89 D 7.99 4.66 0.00 2.77 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 90 E 7.78 4.34 0.00 2.17 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 2.32 2.25 0.00 91 T 7.48 4.27 4.62 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 1.23 0.00 0.00 92 A 9.61 4.09 1.46 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 0.00 0.00 93 L 7.84 3.97 0.00 1.80 1.77 0.96 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.58 3.82 2.27 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 0.91 0.00 0.00 1.00 0.00 0.00 95 I 7.59 4.12 1.97 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 1.80 1.08 0.99 0.00 0.00 96 N 8.58 4.57 0.00 3.04 3.02 0.00 0.00 7.23 8.26 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 97 P 0.00 3.60 0.00 2.24 2.25 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 98 Q 7.96 4.01 0.00 1.89 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 99 Y 7.30 3.82 0.00 2.46 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 0.00 0.00 0.00 100 Y 6.60 4.90 0.00 2.37 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 0.00 101 N 9.53 4.24 0.00 2.98 3.02 0.00 0.00 7.04 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 0.00 102 N 8.55 4.22 0.00 2.84 2.84 0.00 0.00 7.10 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 0.00 103 G 8.27 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 104 G 7.97 4.04 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 0.00 105 R 8.01 4.32 0.00 0.87 1.17 0.00 2.21 0.00 0.00 2.64 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.14 0.00 106 D 8.31 4.42 0.00 2.62 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.91 4.31 0.00 3.05 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 0.00 108 V 6.57 3.20 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 0.80 0.00 0.00 0.05 0.00 0.00 109 R 7.14 2.57 0.00 0.67 1.10 0.00 2.79 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.50 0.00 110 E 7.79 3.79 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 2.09 2.06 0.00 111 K 7.50 3.95 0.00 1.85 1.87 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.67 7.81 112 Q 7.82 3.71 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 113 L 7.72 4.14 0.00 1.81 1.89 0.97 0.88 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 0.00 114 A 8.55 4.62 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 0.00 115 E 8.01 5.28 0.00 1.98 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 0.00 2.24 2.34 0.00 116 Y 8.90 5.03 0.00 3.10 2.84 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 0.00 117 S 7.47 5.01 0.00 3.63 3.56 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 0.00 0.00 0.00 118 V 8.32 4.37 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 0.85 0.00 0.00 0.96 0.00 0.00 119 T 8.23 5.07 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 1.25 0.00 0.00 120 S 9.43 4.43 0.00 4.00 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 0.00 121 A 8.59 3.99 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 0.00 122 I 7.71 4.14 1.90 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 1.40 0.74 0.94 0.00 0.00 123 G 8.30 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 0.00 0.00 0.00 124 T 8.12 4.59 4.50 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 1.42 0.00 0.00 125 K 8.81 4.77 0.00 1.82 1.62 0.00 1.52 0.00 0.00 1.51 0.00 0.00 2.66 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.28 7.81 126 V 8.72 4.50 1.85 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 0.20 0.00 0.00 0.65 0.00 0.00 127 E 8.77 5.07 0.00 1.75 1.65 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 2.06 2.05 0.00 128 V 8.80 4.72 2.11 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 0.83 0.00 0.00 0.85 0.00 0.00 129 V 8.54 4.63 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 1.02 0.00 0.00 0.87 0.00 0.00 130 Y 9.09 4.62 0.00 2.99 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 0.00 131 T 8.94 4.30 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 1.27 0.00 0.00 132 V 7.99 4.39 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 1.10 0.00 0.00 0.98 0.00 0.00 133 A 9.01 4.57 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 0.00 134 E 7.80 4.70 0.00 1.94 1.66 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 2.11 1.84 0.00 135 G 8.77 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 0.00 136 N 8.43 4.26 0.00 2.43 2.48 0.00 0.00 6.64 6.92 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 0.00 137 N 7.87 4.90 0.00 2.56 2.74 0.00 0.00 7.29 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 0.00 138 L 9.10 4.76 0.00 1.88 1.87 1.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 139 E 9.17 5.25 0.00 1.94 1.81 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 2.26 2.31 0.00 140 A 9.07 4.92 0.49 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 0.00 0.00 0.00 0.00 0.00 0.00 141 N 9.03 5.29 0.00 2.57 2.76 0.00 0.00 6.61 7.63 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 0.00 142 V 8.84 4.55 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 0.34 0.00 0.00 0.89 0.00 0.00 143 I 8.56 4.99 1.72 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.48 0.85 0.00 0.00 144 F 9.20 5.01 0.00 2.88 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 0.00 145 S 8.99 4.57 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.