NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4207 8.3049 120.3208 55.9643 33.6640 177.0780 2 T 4.2217 7.3059 116.1277 61.7893 67.9921 173.8479 3 T 3.7026 7.4253 117.1968 63.6426 68.8777 174.1295 4 F 4.4934 7.4857 121.4131 56.2136 39.4931 175.1904 5 R 4.7912 8.1414 118.1798 54.8053 33.1158 175.1596 6 F 4.9109 8.6860 119.1827 55.3867 41.6515 175.2078 7 C 3.9319 8.9569 120.7690 59.6509 31.8082 174.7412 8 R 3.8327 6.9748 125.0906 58.4250 30.1184 176.9203 9 D 4.5838 7.6838 116.2517 55.9386 40.6529 177.0104 10 C 4.3952 7.8224 111.0974 57.1626 30.3575 173.1385 11 N 4.5643 7.8147 116.5753 53.9660 37.1115 173.0427 12 N 5.1353 7.3461 112.3397 51.1252 41.3420 174.4628 13 M 3.7958 8.6525 120.8284 56.1068 32.6570 175.6735 14 L 4.7681 7.6288 125.7722 54.1793 43.5087 175.6452 15 Y 5.0001 9.2868 119.5786 55.2262 41.2459 173.6633 16 P 3.8601 0.0000 0.0000 63.0648 32.3105 175.7732 17 R 4.6198 8.6151 120.1464 54.7847 35.0379 173.4219 18 E 4.6719 8.6117 123.4169 55.0480 31.3471 175.7235 19 D 4.5839 8.7122 127.1531 52.6124 39.8789 176.7829 20 K 4.1390 8.4205 123.6073 57.7762 32.5163 177.3652 21 E 4.4314 8.0248 116.5067 57.9826 30.8155 176.8037 22 N 4.6244 8.4294 111.8073 52.4163 39.1969 175.1335 23 N 4.1908 7.8890 113.2999 53.8240 36.3059 172.9348 24 R 4.7260 7.2057 115.4634 54.5139 34.2708 174.4031 25 L 4.7422 8.4328 121.7827 54.0075 43.7766 175.3375 26 L 5.2478 8.9291 125.5461 53.0206 46.1455 175.6394 27 F 5.1638 9.4914 118.4275 56.3401 42.6751 174.5024 28 E 5.2118 9.2350 122.9654 55.0646 32.5879 174.1381 29 C 5.2847 8.5684 119.2265 57.9875 33.8449 173.7916 30 R 4.4945 8.8729 120.5921 56.5574 30.2584 177.2726 31 T 4.3218 7.6895 114.5877 64.8424 69.9118 175.6758 32 C 4.7608 7.6160 118.6244 57.6930 31.7633 174.4873 33 S 4.7555 8.5194 120.1848 58.9128 63.3785 173.4350 34 Y 4.4881 7.8934 122.3432 58.2792 39.7355 174.9096 35 V 4.9032 6.5701 121.7072 61.2590 34.2717 171.8261 36 E 4.7801 8.3334 117.6869 55.3462 33.0059 174.7691 37 E 4.6859 8.8969 118.8188 56.4109 30.8336 175.6513 38 A 4.7798 8.4148 122.5363 50.7773 20.1756 178.1023 39 G 3.6694 8.9279 110.6182 47.9318 0.0000 173.8555 40 S 4.8155 7.6582 111.9336 55.3871 66.1353 171.8839 41 P 4.4537 0.0000 0.0000 63.3444 31.6566 175.9102 42 L 4.1560 7.6161 122.5439 55.2376 41.6351 176.2055 43 V 4.4605 8.2894 125.1914 63.1506 33.1461 174.6076 44 Y 4.9009 7.5815 117.6678 57.0147 41.4271 173.2452 45 R 4.2421 7.3718 124.9743 54.7535 33.2344 173.7792 46 H 4.4938 8.3318 123.2666 54.4330 31.9257 172.4739 47 E 4.4341 8.5826 127.8835 54.8248 29.6743 177.2297 48 L 4.0498 8.4910 125.1884 56.9296 41.9872 177.7465 49 I 4.2872 7.3745 119.9698 59.8734 36.4044 174.5575 50 T 4.6752 7.8331 119.8064 61.9021 69.8722 174.5581 51 N 4.8307 8.5085 120.7237 54.2179 40.8936 175.3405 52 I 3.6297 7.6879 117.2842 62.4887 38.4976 175.2417 53 G 4.0806 8.9870 114.1552 45.9294 0.0000 175.2359 54 E 3.9588 8.0897 118.8971 58.2873 29.8185 178.2355 55 T 4.1801 7.5701 113.9000 63.1275 70.0793 174.1572 56 A 3.9371 7.0213 123.3980 53.5624 18.5026 177.1608 57 G 3.7569 8.9145 110.4577 45.6094 0.0000 173.9729 58 V 3.6179 7.4000 118.8548 63.0848 31.1598 174.9118 59 V 4.5243 7.8968 125.9917 60.4671 34.7154 175.8067 60 Q 4.1495 8.6807 122.4378 58.0783 28.9909 176.0900 61 D 4.8856 7.8687 115.6293 54.0119 41.9157 177.2485 62 I 3.6021 7.7359 120.9011 63.9987 38.3586 177.2335 63 G 3.7580 8.1455 109.1432 48.3152 0.0000 175.0612 64 S 4.3003 8.1827 111.8704 58.6126 62.8169 173.7383 65 D 4.6168 7.8478 122.3011 52.3544 40.0248 175.1758 66 P 4.3820 0.0000 0.0000 65.2182 31.4530 177.7814 67 T 4.0886 8.0950 108.5240 63.1309 69.2488 175.0961 68 L 4.1618 7.3349 122.5700 53.5539 42.6203 174.8333 69 P 4.4676 0.0000 0.0000 62.6186 32.9674 174.9631 70 R 5.6045 8.8123 119.8916 53.7038 32.4007 175.1886 71 S 5.0961 9.1623 117.4272 56.0921 66.9231 173.4897 72 D 5.3078 8.2053 117.1620 52.2367 39.7683 176.9304 73 R 4.1222 7.8346 120.0477 56.8667 31.3018 174.4787 74 E 4.7961 8.2064 118.8197 54.6757 31.9483 175.2969 75 C 3.0544 7.8039 120.1890 56.1966 30.6873 172.9524 76 P 4.0226 0.0000 0.0000 64.8511 30.6706 176.4761 77 K 3.9606 7.0128 117.2899 57.6426 32.6570 176.5172 78 C 4.2256 7.9492 115.7918 58.7086 30.8196 175.0857 79 H 4.0629 7.9114 116.0451 56.2660 27.4139 174.8173 80 S 4.3707 7.6326 114.3105 58.7337 63.5841 174.7326 81 R 4.9642 8.2601 116.0029 55.3493 30.6380 175.9507 82 E 4.2969 7.9977 120.1777 55.5274 28.7543 174.9798 83 N 5.7984 8.8613 120.3360 51.1881 42.7888 173.7188 84 V 4.9846 8.3174 118.7093 60.1091 34.8202 174.4277 85 F 5.0781 8.7135 118.0306 55.2944 41.1499 173.6105 86 F 4.8356 7.6732 113.6383 55.7489 41.5766 173.7970 87 Q 4.7204 8.6038 121.7522 54.9764 30.8152 174.9448 88 S 3.8607 8.7518 114.3722 59.0287 62.3909 174.3015 89 Q 4.0208 7.9382 125.9910 57.3975 28.7636 176.3456 90 Q 4.2740 7.4991 117.0960 55.7672 29.9790 176.1460 91 R 4.6807 8.0296 115.0043 55.2799 30.3840 175.5688 92 R 4.7057 7.6214 117.0805 53.9505 32.9640 178.4256 93 K 4.0002 8.7515 121.5006 59.4071 32.3050 176.9792 94 D 4.7595 7.8254 117.2283 53.8731 39.9734 176.2794 95 T 4.4563 7.2728 115.3044 63.4443 70.2634 175.0688 96 S 4.6822 8.2599 118.3733 57.8530 65.0808 173.7833 97 M 4.6630 8.2408 117.5338 54.9795 32.0914 176.7086 98 V 3.7986 7.4201 118.8712 62.0766 32.3704 175.3880 99 L 4.7621 8.3752 123.0408 53.4656 44.0999 175.3137 100 F 4.4794 8.7751 121.2398 55.5214 41.7528 174.7585 101 F 4.8772 8.4069 121.5668 55.5553 42.4630 175.1633 102 V 4.7163 8.3475 120.0414 61.1289 34.5452 174.1688 103 C 4.4875 9.2232 130.1473 59.7839 32.2380 173.7086 104 L 4.4433 9.1729 125.8068 55.7664 41.2336 177.6874 105 S 4.5708 8.2459 115.7547 59.9330 63.9108 174.7404 106 C 4.8053 7.8067 110.1858 56.6015 30.2716 173.4418 107 S 4.4313 8.0606 112.1948 58.6650 61.6015 171.4203 108 H 4.8709 8.1754 119.4045 56.4940 31.5015 173.5724 109 I 5.4579 8.6593 126.7418 59.6457 38.2192 175.1267 110 F 5.0777 8.1544 121.2552 55.4636 41.2284 174.2257 111 T 4.6229 8.5031 117.9941 62.1550 70.5350 174.4229 112 S 4.6422 7.9551 115.7636 58.1930 64.2116 174.0336 113 D 4.4108 7.7741 121.0947 54.2175 40.1087 176.5745 114 Q 4.2318 8.6434 126.3026 57.7195 28.8571 177.4348 115 K 4.5841 7.7206 117.3737 55.2205 32.7452 176.0496 116 N 4.3167 7.8227 117.1089 54.6870 39.0671 174.2981 117 K 4.6241 8.6498 121.1898 55.5590 34.6860 176.1571 118 R 4.6133 7.8773 117.4419 54.7560 32.1368 176.2280 119 T 4.0436 8.1907 117.1366 65.0930 69.2016 175.8994 120 Q 4.3019 7.3658 117.6049 54.3784 31.1157 177.0657 121 F 4.3134 7.9842 113.5762 57.7544 37.1863 175.0312 122 S 4.3999 7.8030 120.6672 58.5340 62.9494 173.9598 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 8.30 4.42 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 2 T 7.31 4.22 4.33 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 1.35 0.00 0.00 3 T 7.43 3.70 4.15 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 1.07 0.00 0.00 4 F 7.49 4.49 0.00 2.65 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 5 R 8.14 4.79 0.00 1.64 1.86 0.00 3.04 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 6 F 8.69 4.91 0.00 2.83 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 7 C 8.96 3.93 0.00 3.05 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 8 R 6.97 3.83 0.00 1.49 1.07 0.00 3.33 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 9 D 7.68 4.58 0.00 2.66 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 10 C 7.82 4.40 0.00 3.11 3.16 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 11 N 7.81 4.56 0.00 2.79 2.87 0.00 0.00 7.30 7.79 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 12 N 7.35 5.14 0.00 2.94 2.81 0.00 0.00 6.69 7.54 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 13 M 8.65 3.80 0.00 1.67 1.68 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 14 L 7.63 4.77 0.00 1.59 1.85 1.15 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.29 5.00 0.00 2.87 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 16 P 0.00 3.86 0.00 1.75 1.38 0.00 3.89 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 1.93 1.99 0.00 17 R 8.62 4.62 0.00 1.58 1.73 0.00 3.23 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 18 E 8.61 4.67 0.00 1.92 1.79 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 2.28 2.26 0.00 19 D 8.71 4.58 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.42 4.14 0.00 1.77 1.84 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.45 7.81 21 E 8.02 4.43 0.00 1.96 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 2.23 0.00 22 N 8.43 4.62 0.00 2.96 2.84 0.00 0.00 7.12 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 23 N 7.89 4.19 0.00 2.82 2.79 0.00 0.00 6.68 7.68 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 24 R 7.21 4.73 0.00 1.83 1.97 0.00 2.95 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 25 L 8.43 4.74 0.00 1.77 1.59 0.73 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.93 5.25 0.00 1.58 1.58 0.89 0.92 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 27 F 9.49 5.16 0.00 2.99 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 28 E 9.24 5.21 0.00 2.19 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 0.00 2.37 2.35 0.00 29 C 8.57 5.28 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.87 4.49 0.00 1.83 1.86 0.00 2.21 0.00 0.00 2.80 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 31 T 7.69 4.32 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 32 C 7.62 4.76 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.52 4.76 0.00 3.90 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 34 Y 7.89 4.49 0.00 3.11 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 35 V 6.57 4.90 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 0.54 0.00 0.00 0.89 0.00 0.00 36 E 8.33 4.78 0.00 2.03 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 2.44 2.33 0.00 37 E 8.90 4.69 0.00 2.04 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 2.30 2.36 0.00 38 A 8.41 4.78 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.93 3.67 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 0.00 0.00 0.00 40 S 7.66 4.82 0.00 3.96 3.83 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 41 P 0.00 4.45 0.00 2.23 2.24 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 42 L 7.62 4.16 0.00 1.61 1.69 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.29 4.46 2.20 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 1.01 0.00 0.00 1.06 0.00 0.00 44 Y 7.58 4.90 0.00 2.91 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 45 R 7.37 4.24 0.00 1.62 1.55 0.00 3.22 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 46 H 8.33 4.49 0.00 2.86 3.11 0.00 5.96 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.58 4.43 0.00 2.07 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 2.31 2.28 0.00 48 L 8.49 4.05 0.00 1.60 1.69 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.37 4.29 1.88 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 1.42 0.56 0.93 0.00 0.00 50 T 7.83 4.68 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 1.26 0.00 0.00 51 N 8.51 4.83 0.00 2.85 2.91 0.00 0.00 6.63 7.32 0.00 0.00 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 I 7.69 3.63 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 1.34 0.75 0.92 0.00 0.00 53 G 8.99 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 54 E 8.09 3.96 0.00 1.84 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 2.25 2.50 0.00 55 T 7.57 4.18 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 1.29 0.00 0.00 56 A 7.02 3.94 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 57 G 8.91 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 58 V 7.40 3.62 2.13 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 0.85 0.00 0.00 1.18 0.00 0.00 59 V 7.90 4.52 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 0.94 0.00 0.00 0.91 0.00 0.00 60 Q 8.68 4.15 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 61 D 7.87 4.89 0.00 2.71 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 I 7.74 3.60 2.07 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 1.32 0.75 1.04 0.00 0.00 63 G 8.15 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 64 S 8.18 4.30 0.00 3.99 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 65 D 7.85 4.62 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.38 0.00 2.20 2.17 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 1.97 1.94 0.00 67 T 8.10 4.09 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 1.18 0.00 0.00 68 L 7.33 4.16 0.00 1.62 1.57 0.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.47 0.00 1.33 1.82 0.00 3.38 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.14 0.00 70 R 8.81 5.60 0.00 1.75 2.03 0.00 3.24 0.00 0.00 2.25 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 71 S 9.16 5.10 0.00 3.90 3.95 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 72 D 8.21 5.31 0.00 2.79 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 73 R 7.83 4.12 0.00 1.67 1.74 0.00 2.21 0.00 0.00 2.94 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.00 74 E 8.21 4.80 0.00 1.78 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 2.11 2.42 0.00 75 C 7.80 3.05 0.00 2.99 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 76 P 0.00 4.02 0.00 1.96 2.07 0.00 3.23 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 77 K 7.01 3.96 0.00 1.60 1.58 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.11 7.81 78 C 7.95 4.23 0.00 3.10 3.16 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 79 H 7.91 4.06 0.00 3.33 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.63 4.37 0.00 4.06 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 81 R 8.26 4.96 0.00 1.88 1.95 0.00 3.39 0.00 0.00 3.30 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.57 0.00 82 E 8.00 4.30 0.00 1.95 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 0.00 2.43 2.32 0.00 83 N 8.86 5.80 0.00 3.10 2.98 0.00 0.00 6.42 7.56 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 84 V 8.32 4.98 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 0.90 0.00 0.00 0.96 0.00 0.00 85 F 8.71 5.08 0.00 2.12 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 0.00 0.00 0.00 86 F 7.67 4.84 0.00 3.04 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 87 Q 8.60 4.72 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 88 S 8.75 3.86 0.00 3.92 3.80 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 89 Q 7.94 4.02 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.71 0.00 0.00 0.00 0.00 0.00 2.02 2.44 0.00 90 Q 7.50 4.27 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.32 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 91 R 8.03 4.68 0.00 1.71 1.80 0.00 3.30 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 92 R 7.62 4.71 0.00 1.96 1.97 0.00 3.14 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 93 K 8.75 4.00 0.00 1.75 1.88 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.44 7.81 94 D 7.83 4.76 0.00 2.79 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 95 T 7.27 4.46 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 1.24 0.00 0.00 96 S 8.26 4.68 0.00 4.00 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 97 M 8.24 4.66 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 98 V 7.42 3.80 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 0.80 0.00 0.00 0.72 0.00 0.00 99 L 8.38 4.76 0.00 1.16 1.05 0.62 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.78 4.48 0.00 2.41 2.49 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 0.00 101 F 8.41 4.88 0.00 1.51 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 0.00 0.00 0.00 102 V 8.35 4.72 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 1.05 0.00 0.00 1.04 0.00 0.00 103 C 9.22 4.49 0.00 3.31 3.09 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 0.00 104 L 9.17 4.44 0.00 1.60 1.73 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.25 4.57 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 0.00 106 C 7.81 4.81 0.00 3.06 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 0.00 107 S 8.06 4.43 0.00 4.20 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 0.00 108 H 8.18 4.87 0.00 3.37 3.35 0.00 5.85 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.66 5.46 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.22 0.94 0.00 0.00 110 F 8.15 5.08 0.00 3.10 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 0.00 111 T 8.50 4.62 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 -0.01 0.00 0.00 112 S 7.96 4.64 0.00 3.93 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 0.00 113 D 7.77 4.41 0.00 2.68 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 0.00 114 Q 8.64 4.23 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.32 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 115 K 7.72 4.58 0.00 1.90 1.81 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.35 7.81 116 N 7.82 4.32 0.00 2.93 2.81 0.00 0.00 6.79 6.79 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 0.00 117 K 8.65 4.62 0.00 1.77 1.78 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.78 7.81 118 R 7.88 4.61 0.00 1.85 1.71 0.00 3.44 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 119 T 8.19 4.04 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 1.14 0.00 0.00 120 Q 7.37 4.30 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 5.99 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 121 F 7.98 4.31 0.00 3.38 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 0.00 122 S 7.80 4.40 0.00 3.96 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