NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.3172 8.1300 115.1664 56.5583 39.7729 176.8776 13 V 3.4120 8.0093 122.4814 66.7992 31.5387 174.7648 14 A 3.9944 8.8078 121.2928 55.3196 18.8531 178.7536 15 E 3.9420 8.2478 116.5107 59.7463 29.6177 179.5753 16 L 4.0712 8.0856 118.9601 57.6588 41.1916 178.9538 17 N 4.4748 8.5297 117.3406 56.6153 38.6546 175.9223 18 N 4.7046 7.9677 115.1136 54.1680 38.8091 175.3207 19 L 4.6578 8.0801 120.7458 54.1048 42.2876 176.0247 20 L 4.2620 7.3070 119.2367 56.6423 41.7113 177.9786 21 G 3.9795 9.1053 112.2592 45.2140 0.0000 173.2872 22 R 4.6637 7.7831 118.7932 54.5589 32.7295 175.4862 23 E 4.7187 8.6235 121.1063 56.5276 30.5028 176.4543 24 V 4.7282 8.9715 116.4903 59.6649 36.8695 173.9026 25 Q 5.0571 8.7563 122.2239 54.3952 32.2326 174.2041 26 V 4.7756 9.1886 125.5656 61.1718 34.6351 174.0364 27 V 4.6695 8.5153 128.3911 61.6262 33.1280 174.7355 28 L 5.3513 8.9112 128.3832 53.1385 43.7139 178.0012 29 S 4.3019 9.0690 116.4600 60.5678 63.1961 174.7710 30 N 4.6142 8.2046 117.4567 52.9942 37.3031 175.8671 31 G 3.9977 8.2718 108.3948 45.2766 0.0000 173.9556 32 E 4.3553 8.1935 119.3606 56.0139 31.4095 175.9435 33 V 4.8613 8.0236 121.0031 61.5072 35.0071 173.5156 34 Y 5.0377 8.9929 125.3219 56.0164 40.9924 174.6356 35 K 4.9616 8.7102 124.2088 54.7607 35.8477 175.4472 36 G 4.4379 8.2169 112.3074 45.9942 0.0000 171.8268 37 V 4.3514 7.9485 120.3031 62.1431 32.8474 175.3290 38 L 4.2327 9.0008 130.8721 56.0128 42.2240 176.3123 39 H 4.6131 9.1651 127.1088 57.8487 31.2406 174.9118 40 A 4.7134 7.5586 117.0305 50.8638 22.5622 175.4828 41 V 4.8896 8.2833 119.8649 61.4547 34.9080 174.5315 42 D 4.9632 8.4380 127.1015 51.3488 41.7894 176.7445 43 N 4.3001 8.5782 115.4671 56.3238 38.4412 176.2201 44 Q 3.9110 8.0185 114.3607 55.2623 29.0026 175.5159 45 L 3.7493 7.7738 116.8217 55.7360 39.7092 174.4743 46 N 4.8672 8.5100 115.7169 53.5167 39.9063 174.4030 47 I 4.9831 8.6936 122.0854 59.5336 41.3938 174.4728 48 V 4.7407 8.8469 126.0426 61.0622 34.0677 174.1567 49 L 5.2266 8.4556 127.1697 52.9426 44.8167 175.1928 50 A 4.8538 8.8699 124.3576 50.7817 21.4790 176.3636 51 N 4.4833 8.2167 116.8615 54.2421 36.7710 173.7838 52 A 5.2843 8.0734 120.7504 50.4274 22.5516 177.4931 53 S 5.9229 9.3674 114.1071 55.7933 67.3985 172.6943 54 N 5.7104 8.0875 117.4389 50.0242 40.1716 174.8906 55 K 4.0383 8.5373 116.3406 58.4304 32.2038 177.6944 56 A 4.2366 8.2312 121.1386 51.8045 18.8102 178.1947 57 G 3.8906 8.0333 104.2864 45.5770 0.0000 174.0040 58 E 4.2204 7.9275 118.9195 55.7820 31.0055 175.7350 59 K 5.1502 7.8909 120.5015 54.7328 35.9359 175.7036 60 F 4.8500 9.0611 121.2348 55.6990 42.9907 175.4206 61 N 4.6260 9.1335 121.3145 56.6246 40.0039 174.7341 62 R 5.0006 7.7861 115.1679 54.4963 34.6956 174.9321 63 V 4.0743 8.2380 122.1882 61.0634 34.6453 174.0863 64 F 4.8197 8.8830 126.9666 56.2483 39.6943 175.1942 65 I 4.3472 9.1846 132.1853 61.0538 39.3806 177.6086 *67 Y 4.7639 8.5208 120.9953 58.1707 39.7650 177.8439 68 R 3.6915 6.9833 117.8914 58.5143 30.2771 176.6940 69 Y 4.3954 7.7743 113.4463 57.7283 38.4159 174.4309 70 I 4.3737 7.5967 122.5223 60.9631 37.3625 175.9718 71 V 4.0845 8.9058 128.6780 65.4488 32.0134 175.5195 72 H 4.9875 7.7776 113.4022 54.7023 31.7848 171.8463 73 I 5.0405 8.2650 119.5594 59.6737 39.8820 174.7354 74 D 5.1719 9.0852 126.8007 52.0984 44.1397 176.1978 75 S 4.5380 8.6993 116.6449 58.5984 63.7789 174.0943 76 T 4.4863 8.3701 110.3256 61.3800 70.1745 173.7742 77 E 4.6047 7.9001 121.5668 54.8615 31.2760 175.8591 78 R 4.3493 8.1821 121.0068 55.3115 31.3338 176.7714 79 R 4.2166 8.1444 118.7523 55.7311 30.8485 176.9791 80 I 3.7365 7.8144 120.4809 61.3646 37.7029 175.9588 81 D 4.5204 8.2041 122.8367 53.7378 42.6259 176.8458 *83 R 3.8150 8.3528 117.6250 56.0417 31.9546 177.9683 84 E 3.9669 8.8536 118.5180 59.0041 29.5666 178.5781 85 F 3.7535 8.3216 120.7221 61.1164 39.4463 176.8010 86 A 4.1207 8.2437 119.8966 55.1065 18.1926 179.2157 87 K 3.8569 8.2659 118.0580 60.0457 32.3037 179.1331 88 Q 4.0797 8.4155 118.1438 58.7565 28.5334 178.6123 89 A 3.8746 8.4092 122.3687 54.7152 18.1117 178.8950 90 E 3.9067 8.0007 117.2697 59.8659 29.7185 178.9420 91 K 3.9751 7.3598 115.1649 59.7616 32.1634 178.9747 92 I 3.7860 6.9014 118.3456 62.3882 38.2491 176.3431 93 F 4.8866 8.0407 117.8157 53.8152 39.2056 171.3038 94 P 4.2703 0.0000 0.0000 64.0724 32.3810 176.7761 95 G 3.6760 8.8924 112.1902 46.3687 0.0000 173.7025 *97 V 4.2055 7.2717 115.7865 62.6845 33.3365 175.4055 98 K 4.6277 8.9880 127.9881 54.9185 35.5246 174.1176 99 Y 4.6000 8.8179 128.9185 57.0982 40.5748 173.8174 100 I 4.2672 7.7644 128.1538 59.3515 38.2154 176.2215 101 E 3.8314 8.6291 129.2138 58.7180 30.0381 177.4775 102 E 4.0479 8.2974 119.1601 58.8220 29.4775 177.3120 103 T 4.3808 7.4126 103.7430 60.2793 69.8422 172.6714 104 N 4.1429 7.8074 118.5711 54.6340 37.7654 173.5740 105 V 4.6278 7.0808 115.2856 60.8891 35.7899 174.0339 106 V 4.8214 8.8616 126.0465 61.2330 33.8186 174.2323 107 L 5.0431 8.9062 128.1285 53.3946 43.9714 175.6499 108 I 4.3912 8.2949 123.3742 60.1307 40.0027 175.5774 109 G 3.9704 8.7780 118.3852 46.2672 0.0000 172.7776 110 D 4.8235 8.6894 119.5081 53.1983 40.4724 176.8290 111 K 4.5526 7.9515 117.3008 55.8481 33.6645 175.4434 112 V 4.6961 7.5374 118.1933 61.0847 34.8948 174.3813 113 R 5.0571 8.8914 126.7177 54.6865 34.0335 173.5633 114 V 4.8593 8.9790 126.1879 61.2171 34.5612 174.7785 115 S 5.1050 8.5883 122.6784 56.0359 66.0939 174.6432 116 E 4.2683 8.9206 116.3132 57.7558 29.2100 177.1753 117 I 4.4687 9.0684 112.4151 59.1001 38.1425 175.4995 118 G 3.5629 6.2917 109.2692 44.5639 0.0000 171.7289 119 V 4.6461 7.3281 119.2073 60.8132 33.6331 174.3369 120 E 4.4788 9.7310 127.6209 55.1341 31.1495 174.8033 121 G 4.2942 8.0202 107.8248 43.6472 0.0000 172.9545 122 V 4.3112 8.0799 118.4742 61.5678 34.8232 174.6961 123 G 3.8995 9.1155 109.6159 43.9616 0.0000 172.8244 124 P 4.2003 0.0000 0.0000 65.7959 31.0672 179.0457 125 V 3.6658 7.7971 115.9130 65.8467 31.5824 177.4500 126 A 3.9900 8.0062 120.0560 55.5231 18.0760 179.2099 127 E 3.9760 8.7245 117.1909 59.7432 29.5664 179.7353 128 R 4.0607 8.2444 118.1350 59.0646 30.0477 178.4381 129 A 4.3252 8.5628 121.2065 55.2581 18.4755 179.7048 130 K 4.0397 8.3501 117.0230 59.7914 32.0747 179.8441 131 R 4.2864 8.0499 118.2833 59.1558 30.0943 178.8945 132 L 4.1113 8.2227 120.2423 57.9869 42.1108 178.6464 133 F 4.1982 9.0143 120.9674 61.7008 39.4064 176.9692 134 E 4.2361 9.1775 118.4503 59.5156 28.9972 179.0339 135 E 4.0198 8.3526 118.7651 59.2432 29.9566 178.6341 136 F 4.0506 8.4891 117.6779 60.4963 38.7821 177.6817 137 L 4.1340 7.9508 117.5163 57.5504 41.4842 179.1879 138 K 4.2278 7.9940 116.8227 58.0340 32.1869 177.2450 139 R 4.0974 7.6681 123.1289 56.3719 30.0289 176.1843 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 12 F 8.13 5.32 0.00 3.17 3.40 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 13 V 8.01 3.41 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 1.15 0.00 0.00 0.93 0.00 0.00 14 A 8.81 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 15 E 8.25 3.94 0.00 2.31 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 2.46 2.50 0.00 16 L 8.09 4.07 0.00 1.80 1.76 1.10 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.53 4.47 0.00 3.05 2.90 0.00 0.00 7.18 7.36 0.00 0.00 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 N 7.97 4.70 0.00 2.96 2.85 0.00 0.00 6.89 7.97 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 19 L 8.08 4.66 0.00 1.78 1.64 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.31 4.26 0.00 1.66 1.63 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.11 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 0.00 0.00 0.00 22 R 7.78 4.66 0.00 1.84 1.86 0.00 3.32 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 23 E 8.62 4.72 0.00 1.87 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 2.33 2.30 0.00 24 V 8.97 4.73 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 0.74 0.00 0.00 1.01 0.00 0.00 25 Q 8.76 5.06 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 26 V 9.19 4.78 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 0.94 0.00 0.00 0.97 0.00 0.00 27 V 8.52 4.67 1.73 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 0.98 0.00 0.00 0.84 0.00 0.00 28 L 8.91 5.35 0.00 1.87 1.64 1.01 0.66 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 29 S 9.07 4.30 0.00 4.07 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 30 N 8.20 4.61 0.00 2.84 2.92 0.00 0.00 6.31 7.00 0.00 0.00 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 G 8.27 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 32 E 8.19 4.36 0.00 2.24 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 2.34 2.30 0.00 33 V 8.02 4.86 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 1.01 0.00 0.00 0.92 0.00 0.00 34 Y 8.99 5.04 0.00 2.95 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 35 K 8.71 4.96 0.00 1.81 1.61 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.53 7.81 36 G 8.22 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.95 4.35 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 1.03 0.00 0.00 0.99 0.00 0.00 38 L 9.00 4.23 0.00 1.94 1.64 0.96 1.03 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 39 H 9.17 4.61 0.00 3.10 3.34 0.00 6.04 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.56 4.71 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 41 V 8.28 4.89 2.12 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 0.93 0.00 0.00 0.97 0.00 0.00 42 D 8.44 4.96 0.00 2.90 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 43 N 8.58 4.30 0.00 2.68 2.86 0.00 0.00 6.83 7.69 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 44 Q 8.02 3.91 0.00 2.03 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 45 L 7.77 3.75 0.00 1.79 1.87 1.02 0.69 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 46 N 8.51 4.87 0.00 3.01 2.86 0.00 0.00 6.82 6.85 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 47 I 8.69 4.98 1.91 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 1.35 1.41 0.93 0.00 0.00 48 V 8.85 4.74 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 0.62 0.00 0.00 1.08 0.00 0.00 49 L 8.46 5.23 0.00 1.57 1.52 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.87 4.85 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 51 N 8.22 4.48 0.00 2.79 2.82 0.00 0.00 6.82 7.15 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 52 A 8.07 5.28 1.41 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 0.00 0.00 53 S 9.37 5.92 0.00 3.89 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 54 N 8.09 5.71 0.00 2.27 1.60 0.00 0.00 6.76 6.73 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 55 K 8.54 4.04 0.00 1.70 1.86 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.33 7.81 56 A 8.23 4.24 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 57 G 8.03 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 58 E 7.93 4.22 0.00 2.01 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 2.36 2.34 0.00 59 K 7.89 5.15 0.00 1.42 1.59 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.31 7.81 60 F 9.06 4.85 0.00 3.00 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 61 N 9.13 4.63 0.00 2.80 2.86 0.00 0.00 6.95 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 62 R 7.79 5.00 0.00 1.56 1.00 0.00 3.06 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.52 0.00 63 V 8.24 4.07 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 0.31 0.00 0.00 0.74 0.00 0.00 64 F 8.88 4.82 0.00 2.85 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 65 I 9.18 4.35 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.69 0.93 0.00 0.00 *67 Y 8.52 4.76 0.00 3.24 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.98 3.69 0.00 1.27 1.40 0.00 2.86 0.00 0.00 2.96 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.00 69 Y 7.77 4.40 0.00 3.11 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 70 I 7.60 4.37 2.11 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 1.21 0.61 1.01 0.00 0.00 71 V 8.91 4.08 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 0.88 0.00 0.00 1.01 0.00 0.00 72 H 7.78 4.99 0.00 3.18 3.35 0.00 5.45 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 73 I 8.27 5.04 1.75 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.00 0.90 0.00 0.00 74 D 9.09 5.17 0.00 2.54 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 75 S 8.70 4.54 0.00 3.97 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 76 T 8.37 4.49 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 1.27 0.00 0.00 77 E 7.90 4.60 0.00 1.99 1.93 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 2.26 2.33 0.00 78 R 8.18 4.35 0.00 1.81 1.86 0.00 3.21 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 79 R 8.14 4.22 0.00 1.80 1.85 0.00 3.60 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 80 I 7.81 3.74 1.41 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.24 0.28 0.00 0.00 81 D 8.20 4.52 0.00 2.70 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 *83 R 8.35 3.81 0.00 1.89 1.72 0.00 2.97 0.00 0.00 2.96 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.90 0.00 84 E 8.85 3.97 0.00 2.13 2.26 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 2.50 2.77 0.00 85 F 8.32 3.75 0.00 2.54 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 86 A 8.24 4.12 1.49 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 87 K 8.27 3.86 0.00 1.98 2.00 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.49 7.81 88 Q 8.42 4.08 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 89 A 8.41 3.87 1.28 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 0.00 0.00 0.00 90 E 8.00 3.91 0.00 2.13 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 0.00 2.35 2.44 0.00 91 K 7.36 3.98 0.00 1.82 1.82 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.65 7.81 92 I 6.90 3.79 1.26 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.24 -0.51 0.00 0.00 93 F 8.04 4.89 0.00 2.91 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 94 P 0.00 4.27 0.00 2.06 2.05 0.00 3.86 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 2.04 2.10 0.00 95 G 8.89 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 0.00 0.00 0.00 *97 V 7.27 4.21 2.38 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 0.88 0.00 0.00 1.11 0.00 0.00 98 K 8.99 4.63 0.00 1.83 1.59 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.39 7.81 99 Y 8.82 4.60 0.00 3.20 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 0.00 100 I 7.76 4.27 1.71 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 1.08 0.76 0.79 0.00 0.00 101 E 8.63 3.83 0.00 2.09 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 0.00 2.37 2.49 0.00 102 E 8.30 4.05 0.00 1.92 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 2.27 2.30 0.00 103 T 7.41 4.38 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 1.17 0.00 0.00 104 N 7.81 4.14 0.00 2.91 2.92 0.00 0.00 6.85 7.67 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 0.00 105 V 7.08 4.63 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 1.02 0.00 0.00 0.95 0.00 0.00 106 V 8.86 4.82 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 1.25 0.00 0.00 1.22 0.00 0.00 107 L 8.91 5.04 0.00 1.61 1.54 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.29 4.39 1.69 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 1.18 1.34 0.29 0.00 0.00 109 G 8.78 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 0.00 110 D 8.69 4.82 0.00 2.75 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 0.00 111 K 7.95 4.55 0.00 1.68 1.78 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.35 7.81 112 V 7.54 4.70 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 0.95 0.00 0.00 0.88 0.00 0.00 113 R 8.89 5.06 0.00 1.85 1.65 0.00 3.05 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 114 V 8.98 4.86 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 0.42 0.00 0.00 1.05 0.00 0.00 115 S 8.59 5.11 0.00 3.90 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 0.00 116 E 8.92 4.27 0.00 2.10 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 0.00 2.28 2.32 0.00 117 I 9.07 4.47 1.85 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 1.21 0.68 0.93 0.00 0.00 118 G 6.29 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 0.00 0.00 0.00 119 V 7.33 4.65 1.97 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 0.87 0.00 0.00 0.82 0.00 0.00 120 E 9.73 4.48 0.00 2.09 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 2.19 2.17 0.00 121 G 8.02 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 0.00 0.00 0.00 0.00 122 V 8.08 4.31 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 0.00 123 G 9.12 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 0.00 0.00 0.00 124 P 0.00 4.20 0.00 2.21 2.19 0.00 3.61 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 2.15 2.21 0.00 125 V 7.80 3.67 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 0.45 0.00 0.00 0.90 0.00 0.00 126 A 8.01 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.72 3.98 0.00 2.14 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 2.52 2.50 0.00 128 R 8.24 4.06 0.00 2.14 2.47 0.00 3.20 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 129 A 8.56 4.33 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.35 4.04 0.00 2.05 2.08 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.69 7.81 131 R 8.05 4.29 0.00 2.12 2.07 0.00 3.25 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 132 L 8.22 4.11 0.00 2.07 2.09 0.37 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 133 F 9.01 4.20 0.00 3.46 3.31 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 0.00 134 E 9.18 4.24 0.00 2.29 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 0.00 2.47 2.66 0.00 135 E 8.35 4.02 0.00 2.16 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 0.00 2.27 2.30 0.00 136 F 8.49 4.05 0.00 3.25 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 0.00 137 L 7.95 4.13 0.00 1.93 1.84 1.25 1.09 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 0.00 138 K 7.99 4.23 0.00 1.76 1.88 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.81 7.81 139 R 7.67 4.10 0.00 1.95 1.79 0.00 2.85 0.00 0.00 3.01 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 * Residues marked with a * may have inaccurate shift predictions.