NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2826 8.1627 118.1948 53.8326 32.9825 177.2798 2 N 3.7311 9.4171 119.2119 54.5614 40.8561 171.2045 3 R 3.3504 10.4916 107.1618 58.0647 31.1894 178.2349 4 G 3.7914 8.2145 105.0154 46.8788 0.0000 175.3091 5 A 3.6648 8.9910 117.2136 55.1624 18.5114 179.3724 6 L 3.9568 6.1428 120.5136 57.7703 41.2201 179.7830 7 I 3.6790 8.0865 114.0307 64.0184 37.4435 178.4989 8 K 4.5171 7.8931 122.4619 59.7853 31.8766 177.9549 9 L 4.4651 8.2749 120.6129 56.5480 41.4143 179.8478 10 V 3.7524 8.3532 117.7153 66.3387 31.7895 178.4818 11 E 4.1656 8.7795 118.0778 60.4973 29.4133 180.3146 12 S 4.0130 8.2112 115.4161 61.4979 62.5775 176.5036 13 R 3.7663 7.8628 120.5312 59.2353 29.8772 177.4481 14 Y 3.9975 7.3995 117.2964 60.7745 38.1058 178.4690 15 V 4.0158 8.1455 117.5175 63.8515 32.8603 177.7677 16 R 3.5930 8.3416 118.1608 57.4252 29.5596 176.3130 17 T 4.2123 8.2416 118.9651 64.4652 69.3145 174.9814 18 D 4.4562 8.6806 123.5159 55.3795 41.0268 174.9839 19 L 4.4361 8.3985 121.6415 55.1403 42.0170 172.0163 20 P 2.9700 0.0000 0.0000 61.9454 28.0754 174.2522 21 E 4.0596 7.4928 121.5551 55.7334 31.6289 177.6564 22 F 3.4921 8.2800 111.8114 59.5888 38.5058 175.5895 23 R 4.1779 8.8900 117.9689 55.5393 28.8432 174.1729 24 P 4.4206 0.0000 0.0000 64.3714 32.4248 175.6568 25 G 4.0123 8.0316 110.7582 44.1855 0.0000 172.0892 26 D 5.6236 8.5777 116.5387 54.9202 43.1178 177.2704 27 T 4.2930 8.3213 113.6408 66.7539 69.7716 175.8389 28 V 3.4013 6.8657 119.3386 58.6786 33.4866 175.0043 29 R 5.0773 8.7309 126.7388 55.8007 32.4898 175.5150 30 V 4.6303 8.4406 120.2295 61.6693 35.5647 171.7359 31 S 4.3365 8.3344 115.3661 55.9875 67.0664 173.2632 32 Y 5.3328 6.7238 118.1040 55.6846 43.1970 174.3268 33 K 5.5334 8.3473 119.0915 53.8788 35.4800 175.7796 34 V 4.7944 8.1832 124.6934 59.4222 34.2802 176.8652 35 K 4.2233 9.0870 120.4030 57.6539 32.4399 176.6285 36 E 3.8859 8.3073 121.7462 57.6083 30.3726 177.0389 37 G 4.8075 8.3403 111.2999 46.3580 0.0000 170.8216 38 N 4.2040 8.2872 113.2333 54.5226 40.1707 173.0410 39 R 3.5765 9.6731 105.8836 59.0041 27.9987 175.2446 40 T 3.1138 7.6083 123.9652 69.6725 66.2689 174.2688 41 R 3.5256 7.3750 118.7208 57.2117 27.9804 178.9583 42 I 4.2582 8.0025 127.6262 60.0406 36.0553 176.4390 43 Q 4.6857 7.8984 119.7817 54.9601 29.7646 175.6587 44 D 4.8672 8.6919 124.7776 51.8158 43.1567 176.0649 45 F 4.6798 8.9769 129.3643 59.0919 37.2728 172.2967 46 E 4.1906 8.3970 122.9513 55.1920 31.2104 174.9332 47 G 4.6409 9.5222 115.5153 45.2906 0.0000 171.9570 48 I 4.4676 8.2706 124.5618 58.9785 41.3965 174.0325 49 V 5.1336 7.6916 127.4122 60.6294 32.9467 174.5966 50 I 4.9476 8.9285 127.8263 59.9070 42.5693 174.5338 51 R 4.6183 9.0492 123.8716 55.1662 31.1077 175.6953 52 I 3.9463 8.5258 126.3563 62.4762 37.1561 176.7699 53 R 4.2862 9.2621 127.1370 58.9262 30.7526 175.8759 54 R 3.9769 7.1307 119.6658 57.0258 34.1624 172.2826 55 N 5.1451 7.3036 110.3454 52.9902 39.5136 174.9064 56 G 3.8209 8.4060 112.0413 45.6229 0.0000 172.4313 57 F 6.1096 9.2082 121.3105 54.1067 39.8967 172.8594 58 N 4.2021 5.7700 125.4585 53.2449 39.6662 174.9121 59 T 3.9361 8.3498 124.6933 64.4110 67.3246 172.1511 60 T 4.5733 6.9248 114.4896 60.5432 68.9402 173.1617 61 F 4.9791 8.2904 125.4339 57.2361 44.1264 172.8262 62 T 4.8867 8.6018 109.7932 60.2721 72.0702 173.8553 63 V 3.9162 8.5883 126.5642 60.9696 31.8281 175.2680 64 R 4.1783 9.3944 128.5268 56.6201 31.8541 176.4171 65 K 5.6294 7.4493 125.0530 56.2734 31.6463 173.4588 66 V 5.0879 8.3364 127.2189 60.8411 33.4954 174.2379 67 S 5.0161 9.0610 123.1447 57.3845 64.2734 172.0886 68 Y 5.1544 9.2343 127.6903 55.9102 42.4539 174.0955 69 G 4.1008 9.1163 113.7713 45.2439 0.0000 173.6929 70 V 3.9062 8.1338 127.2753 63.7724 31.7486 177.1404 71 G 4.5453 7.4688 109.1152 45.0139 0.0000 172.0616 72 V 4.2173 6.5285 118.2273 61.6504 34.1498 172.5121 73 E 4.6341 8.4163 123.1819 55.5362 28.0294 174.6328 74 R 4.5723 8.7604 121.9554 54.1968 32.3390 174.6714 75 I 4.9312 8.4016 118.1692 58.9744 39.8056 174.6351 76 F 4.9944 9.3594 129.3450 55.7705 41.7547 172.0469 77 P 4.9468 0.0000 0.0000 61.4379 32.1450 174.5748 78 L 4.7158 8.5341 124.8001 52.8700 45.3888 175.6932 79 H 4.4815 8.7155 118.6170 55.3410 28.9068 174.5738 80 S 3.8836 9.5618 117.3432 61.3611 61.3644 174.4053 81 P 5.0218 0.0000 0.0000 65.1073 31.9364 178.1221 82 L 3.5815 7.4938 116.3136 54.4385 37.2861 175.9973 83 I 3.5818 8.5261 123.9695 64.2468 38.3607 177.0592 84 Q 4.0189 8.2363 121.0419 58.0606 29.1902 176.9544 85 K 4.3816 8.0965 118.4918 56.8948 32.4193 174.8804 86 I 4.4845 8.6561 124.6379 62.5210 39.5677 174.6581 87 D 4.7777 8.8306 121.6166 53.2216 42.5246 175.3290 88 I 5.4207 8.2161 126.1014 59.8652 38.1332 173.7321 89 V 4.3933 8.8401 125.8323 61.3087 33.6808 174.5821 90 Q 4.9158 8.5816 124.3275 55.3095 30.5625 174.5853 91 R 4.4707 8.6425 116.4475 57.9572 33.2845 176.5199 92 G 4.1303 8.2908 114.8034 45.3122 0.0000 174.6308 93 R 4.3507 8.5072 123.3717 54.8213 33.6343 173.1120 94 A 4.2729 8.6829 128.0322 52.2155 18.0157 175.9982 95 R 4.6626 9.1630 124.2899 56.4553 32.7352 171.7686 96 R 3.6484 8.8538 118.7630 55.7091 31.4483 174.0219 97 A 4.0602 9.1427 121.7591 54.0841 17.1981 178.2097 98 K 3.8072 9.7928 118.2589 61.3828 33.8660 175.7705 99 L 3.2128 10.7233 116.8362 54.1357 44.5830 174.4386 100 Y 4.3902 6.9166 116.8200 57.0363 39.6638 175.8488 101 F 4.4345 8.8376 119.5032 59.1125 36.8974 175.8156 102 I 4.2586 7.8578 109.1791 61.2737 37.9646 177.8759 103 R 3.8512 8.6204 124.3377 60.7988 30.3483 179.2827 104 N 4.3985 7.7742 114.3897 58.1721 40.5436 175.2892 105 L 3.9541 7.8187 110.6600 55.8579 41.8346 180.8253 106 S 4.0743 9.3127 114.6501 60.9678 62.5783 174.2832 107 D 4.2176 7.6956 119.3441 57.3842 40.8363 177.2261 108 R 4.9009 7.9339 118.4379 57.7664 33.9995 176.8277 109 E 3.3431 8.3036 111.8472 54.1468 32.1008 180.0875 110 I 3.3312 9.5560 126.2793 62.6121 34.5673 174.2910 111 R 3.8084 8.2757 124.9333 59.5089 29.9205 177.6982 112 R 3.8675 8.1779 116.6456 58.8797 30.1000 177.7115 113 K 4.0616 7.9491 116.9228 59.9730 32.1565 178.4212 114 L 3.9542 8.2544 118.9545 58.1311 41.4247 179.7398 115 R 3.5292 8.1935 117.7180 58.9883 30.2076 178.4203 116 A 4.1113 7.9827 120.1185 53.3220 18.8894 176.9366 117 D 4.6441 8.9949 121.6917 54.8805 41.7350 173.4992 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 1 M 8.16 4.28 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 2 N 9.42 3.73 0.00 2.90 2.88 0.00 0.00 6.90 6.77 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 3 R 10.49 3.35 0.00 1.96 1.73 0.00 3.26 0.00 0.00 3.17 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 4 G 8.21 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 5 A 8.99 3.66 1.37 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 6 L 6.14 3.96 0.00 1.88 1.98 0.93 1.14 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 7 I 8.09 3.68 1.99 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 1.78 1.01 0.92 0.00 0.00 8 K 7.89 4.52 0.00 2.29 1.93 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.44 7.81 9 L 8.27 4.47 0.00 1.91 1.66 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.35 3.75 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 1.17 0.00 0.00 1.10 0.00 0.00 11 E 8.78 4.17 0.00 2.20 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 0.00 2.37 2.46 0.00 12 S 8.21 4.01 0.00 3.93 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 13 R 7.86 3.77 0.00 1.57 1.59 0.00 2.61 0.00 0.00 2.49 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.27 0.00 14 Y 7.40 4.00 0.00 3.13 3.18 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 0.00 15 V 8.15 4.02 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 1.05 0.00 0.00 1.12 0.00 0.00 16 R 8.34 3.59 0.00 1.97 1.76 0.00 3.40 0.00 0.00 3.24 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 17 T 8.24 4.21 4.38 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 1.67 0.00 0.00 18 D 8.68 4.46 0.00 2.66 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 19 L 8.40 4.44 0.00 1.66 1.86 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 2.97 0.00 1.82 1.53 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.31 0.00 21 E 7.49 4.06 0.00 1.98 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 2.23 2.21 0.00 22 F 8.28 3.49 0.00 3.10 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 23 R 8.89 4.18 0.00 1.86 2.04 0.00 3.51 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.05 0.00 24 P 0.00 4.42 0.00 2.31 2.27 0.00 3.99 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 25 G 8.03 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 26 D 8.58 5.62 0.00 2.49 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 27 T 8.32 4.29 4.46 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 1.22 0.00 0.00 28 V 6.87 3.40 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 1.09 0.00 0.00 1.03 0.00 0.00 29 R 8.73 5.08 0.00 1.83 1.84 0.00 3.23 0.00 0.00 3.42 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 30 V 8.44 4.63 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 0.92 0.00 0.00 1.30 0.00 0.00 31 S 8.33 4.34 0.00 3.27 3.21 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 32 Y 6.72 5.33 0.00 3.06 3.05 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 33 K 8.35 5.53 0.00 0.79 0.74 0.00 1.32 0.00 0.00 0.73 0.00 0.00 2.68 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.08 0.58 7.81 34 V 8.18 4.79 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 1.26 0.00 0.00 1.16 0.00 0.00 35 K 9.09 4.22 0.00 1.74 1.95 0.00 2.05 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.60 7.81 36 E 8.31 3.89 0.00 2.07 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 2.47 2.42 0.00 37 G 8.34 4.81 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 0.00 0.00 0.00 38 N 8.29 4.20 0.00 2.84 2.95 0.00 0.00 5.90 7.66 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 39 R 9.67 3.58 0.00 2.03 2.03 0.00 3.20 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 40 T 7.61 3.11 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 41 R 7.37 3.53 0.00 1.89 2.20 0.00 3.38 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 42 I 8.00 4.26 2.20 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 1.30 1.12 0.93 0.00 0.00 43 Q 7.90 4.69 0.00 2.07 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 44 D 8.69 4.87 0.00 2.71 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 45 F 8.98 4.68 0.00 2.85 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 46 E 8.40 4.19 0.00 2.29 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 2.35 2.31 0.00 47 G 9.52 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 0.00 0.00 0.00 0.00 48 I 8.27 4.47 1.68 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 1.21 1.73 1.07 0.00 0.00 49 V 7.69 5.13 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 0.75 0.00 0.00 0.63 0.00 0.00 50 I 8.93 4.95 2.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.84 1.33 0.00 0.00 51 R 9.05 4.62 0.00 1.91 1.93 0.00 3.21 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 52 I 8.53 3.95 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.78 1.17 0.00 0.00 53 R 9.26 4.29 0.00 2.06 2.15 0.00 3.62 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.69 0.00 54 R 7.13 3.98 0.00 2.23 1.63 0.00 2.90 0.00 0.00 2.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.77 0.00 55 N 7.30 5.15 0.00 2.15 2.34 0.00 0.00 6.35 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 56 G 8.41 3.82 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 0.00 0.00 0.00 57 F 9.21 6.11 0.00 2.93 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 58 N 5.77 4.20 0.00 2.68 2.74 0.00 0.00 6.94 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 59 T 8.35 3.94 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 1.29 0.00 0.00 60 T 6.92 4.57 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 1.11 0.00 0.00 61 F 8.29 4.98 0.00 2.69 2.67 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 0.00 0.00 0.00 0.00 62 T 8.60 4.89 4.11 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 1.07 0.00 0.00 63 V 8.59 3.92 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 0.47 0.00 0.00 0.71 0.00 0.00 64 R 9.39 4.18 0.00 1.92 2.06 0.00 3.37 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.00 0.00 65 K 7.45 5.63 0.00 1.98 1.81 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.34 7.81 66 V 8.34 5.09 2.23 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 1.53 0.00 0.00 1.01 0.00 0.00 67 S 9.06 5.02 0.00 3.99 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 68 Y 9.23 5.15 0.00 3.14 2.76 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 69 G 9.12 4.10 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 0.00 70 V 8.13 3.91 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 0.77 0.00 0.00 -0.05 0.00 0.00 71 G 7.47 4.55 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 0.00 0.00 0.00 72 V 6.53 4.22 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 0.84 0.00 0.00 0.88 0.00 0.00 73 E 8.42 4.63 0.00 1.86 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 2.29 2.26 0.00 74 R 8.76 4.57 0.00 1.49 1.72 0.00 2.93 0.00 0.00 2.82 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 75 I 8.40 4.93 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.96 0.00 0.00 76 F 9.36 4.99 0.00 3.10 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 77 P 0.00 4.95 0.00 1.93 1.98 0.00 3.61 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 1.61 1.86 0.00 78 L 8.53 4.72 0.00 1.47 1.51 1.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.72 4.48 0.00 2.95 3.22 0.00 5.91 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 80 S 9.56 3.88 0.00 3.78 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 81 P 0.00 5.02 0.00 2.15 2.16 0.00 3.91 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 82 L 7.49 3.58 0.00 2.08 1.81 1.10 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.53 3.58 1.90 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 1.33 0.77 0.94 0.00 0.00 84 Q 8.24 4.02 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 85 K 8.10 4.38 0.00 1.84 1.87 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.60 7.81 86 I 8.66 4.48 2.38 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.92 1.22 0.00 0.00 87 D 8.83 4.78 0.00 2.51 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 0.00 0.00 0.00 0.00 88 I 8.22 5.42 1.95 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 1.24 0.76 1.05 0.00 0.00 89 V 8.84 4.39 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 1.02 0.00 0.00 0.98 0.00 0.00 90 Q 8.58 4.92 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 91 R 8.64 4.47 0.00 1.86 1.91 0.00 3.07 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 92 G 8.29 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 93 R 8.51 4.35 0.00 1.75 1.83 0.00 3.31 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 94 A 8.68 4.27 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 95 R 9.16 4.66 0.00 1.74 1.81 0.00 3.42 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 96 R 8.85 3.65 0.00 1.93 1.87 0.00 3.32 0.00 0.00 3.60 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 97 A 9.14 4.06 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 98 K 9.79 3.81 0.00 1.76 1.90 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.52 7.81 99 L 10.72 3.21 0.00 1.67 1.75 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 6.92 4.39 0.00 3.19 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 0.00 101 F 8.84 4.43 0.00 3.12 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 0.00 102 I 7.86 4.26 1.90 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 1.57 0.93 0.92 0.00 0.00 103 R 8.62 3.85 0.00 1.87 2.43 0.00 3.00 0.00 0.00 3.07 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 104 N 7.77 4.40 0.00 2.91 2.79 0.00 0.00 7.21 6.74 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 0.00 105 L 7.82 3.95 0.00 1.77 0.84 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 106 S 9.31 4.07 0.00 3.89 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 0.00 107 D 7.70 4.22 0.00 3.05 2.56 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 0.00 108 R 7.93 4.90 0.00 1.72 1.85 0.00 3.23 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 109 E 8.30 3.34 0.00 2.10 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 2.25 2.59 0.00 110 I 9.56 3.33 1.88 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 1.42 0.63 0.92 0.00 0.00 111 R 8.28 3.81 0.00 1.92 1.97 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 112 R 8.18 3.87 0.00 1.80 1.88 0.00 3.28 0.00 0.00 3.23 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 113 K 7.95 4.06 0.00 2.10 1.89 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.58 7.81 114 L 8.25 3.95 0.00 1.84 1.72 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.19 3.53 0.00 2.03 2.04 0.00 3.16 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 116 A 7.98 4.11 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 0.00 117 D 8.99 4.64 0.00 2.64 2.64 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 0.00