NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4808 8.3049 120.3304 55.4719 33.3116 174.3741 2 M 4.4820 8.5821 123.4219 52.9430 34.4115 170.1076 3 V 4.3696 8.3027 122.1685 60.7895 34.2730 174.1387 4 W 4.6203 8.9495 135.0000 57.5242 31.1455 175.3000 5 T 4.1853 8.1230 123.9551 61.4263 67.0413 172.6441 6 P 4.5721 0.0000 0.0000 63.3218 32.2517 175.8141 7 V 4.3197 7.2895 118.3861 60.9304 34.1573 174.8988 8 N 4.6478 8.3952 122.5140 52.7493 37.9526 175.0978 9 N 5.2094 8.2132 125.3244 52.6799 39.7307 174.7396 10 K 4.0852 8.3734 116.3609 56.6432 32.7895 176.7269 11 M 4.9980 8.3216 121.3145 54.1067 35.1368 175.6309 12 F 4.5571 8.4591 116.8055 57.0832 41.1514 176.2182 13 E 3.4712 8.4105 122.3270 57.1925 27.9382 175.5448 14 T 3.8659 8.3474 122.1998 66.4792 68.9442 174.2263 15 F 4.5198 9.0675 124.2019 57.6031 36.5239 176.2938 16 S 4.5079 8.2528 114.8561 60.2006 63.0551 174.4333 17 Y 4.3988 8.2428 117.4659 58.1214 38.2613 175.2236 18 L 4.6772 7.6130 120.0225 52.3141 43.4301 174.6764 19 P 4.4556 0.0000 0.0000 61.8914 31.8278 174.9308 20 P 4.2861 0.0000 0.0000 62.9132 31.7547 176.4389 21 L 4.0226 8.3151 122.7747 54.6042 42.2345 177.9078 22 T 4.1892 8.2014 113.8863 61.2956 70.9487 175.2448 23 D 4.3318 8.5426 121.0527 57.5604 40.7767 178.7107 24 E 3.9255 8.1056 119.2853 59.4118 29.8158 178.8007 25 Q 3.9292 8.0133 118.1609 58.7412 28.6937 178.7014 26 I 3.7159 8.0127 120.8591 64.3958 37.1362 178.1673 27 A 4.0273 8.3824 121.7442 55.3079 18.1422 179.5591 28 A 3.9575 8.0731 119.1606 55.3972 18.4570 179.9309 29 Q 4.0858 8.0627 116.3315 59.1281 28.7906 179.1065 30 V 3.7712 8.2342 119.4443 66.0864 31.5316 177.7789 31 D 4.4074 8.5242 118.9926 57.4947 40.5162 178.0763 32 Y 4.1775 8.1668 119.9834 60.7354 38.7849 178.1649 33 I 3.8990 7.9495 120.6096 64.6291 37.3323 178.6532 34 V 3.5229 7.8089 118.6419 65.9155 31.1676 177.7646 35 A 3.9138 8.0845 119.8466 54.7946 18.2425 178.3986 36 N 4.0705 7.1128 111.8986 52.0546 38.7122 175.5909 37 G 3.7648 7.3660 108.2650 46.2290 0.0000 174.1428 38 W 4.9050 7.5471 118.8578 55.9078 30.8621 176.3268 39 I 4.3877 8.8579 123.0457 59.5416 37.8618 174.0908 40 P 4.8982 0.0000 0.0000 62.9169 32.7698 175.1553 41 C 4.9910 8.8580 121.1730 58.4551 35.5476 172.4987 42 L 5.3418 8.7380 123.6290 53.2346 44.6343 175.1915 43 E 5.6251 9.1923 120.5718 55.0647 34.3174 174.4540 44 F 5.5874 9.1261 115.8716 56.0253 42.0496 172.9378 45 A 4.5159 8.2681 120.1594 50.2241 22.5971 176.2521 46 E 4.2846 8.5991 118.5637 55.6660 30.7826 177.6398 47 A 4.2734 8.8787 123.0132 55.8767 18.3992 179.9337 48 D 4.5098 8.1682 113.4313 56.5413 41.0356 177.2871 49 K 4.5970 7.9915 117.1491 56.0511 32.4724 176.9121 50 A 3.9111 7.6849 124.4867 53.9216 18.8484 178.3212 51 Y 4.6922 7.4502 111.6964 55.4594 40.2015 175.9550 52 V 3.8418 8.3875 122.4815 62.6805 31.6351 175.4237 53 S 4.7298 9.0031 116.3686 57.5792 66.3467 173.7633 54 N 5.2575 8.5721 114.2542 52.6346 39.5531 176.3446 55 E 3.9817 8.3040 119.2694 59.7928 29.3318 179.2016 56 S 3.9620 8.8488 115.6666 60.7137 62.8295 176.0861 57 A 2.5800 7.6214 123.2860 53.7054 17.7328 179.0411 58 I 3.5808 6.9529 116.7908 63.7631 38.0035 177.0987 59 R 4.2615 7.6378 116.5754 55.6564 30.5707 176.1444 60 F 5.1160 7.1666 118.1601 55.7508 41.4345 177.7698 61 G 4.0175 8.2735 116.7151 46.2274 0.0000 175.5361 62 S 4.6166 8.4308 114.2519 58.5296 62.1154 174.4631 63 V 4.4236 7.2531 107.2492 61.1707 33.1739 177.5028 64 S 4.5335 8.1772 114.2912 59.1294 63.5775 173.3743 65 C 4.0191 8.0543 119.3109 61.5772 27.9385 173.1451 66 L 3.5764 8.4310 123.2401 55.6054 38.9527 173.1964 67 Y 4.3322 7.7045 119.7011 55.9670 39.8917 174.6018 68 Y 4.8798 7.1470 123.3645 56.2647 42.3144 174.7737 69 D 4.4907 8.8696 123.4850 55.4731 41.6699 176.9270 70 N 4.7055 8.9160 116.9635 54.1702 35.9306 176.0875 71 R 3.9348 7.9798 118.4528 59.3799 30.3731 177.1055 72 Y 4.3507 7.6841 114.4198 57.9300 38.3789 175.1925 73 W 5.0871 8.6594 123.9592 55.3580 32.7702 174.4471 74 T 4.3037 8.1945 117.2450 62.6391 69.4626 174.6076 75 M 4.4936 8.5325 126.6407 55.2924 33.1643 175.1803 76 W 4.8052 9.4703 135.0000 56.3022 31.3594 176.8695 77 K 3.4067 8.5213 128.6084 57.5448 30.7964 178.0122 78 L 4.9270 8.2600 124.5685 52.6409 45.1250 174.0012 79 P 4.3171 0.0000 0.0000 63.5013 32.2199 177.6460 80 M 4.3167 8.8020 123.6475 53.7089 30.4527 175.9051 81 F 4.4853 7.2911 118.1449 59.0191 40.0002 176.6538 82 G 4.0031 9.1353 112.7749 45.4858 0.0000 173.0887 83 C 4.2703 7.9616 120.9559 59.7184 31.7658 173.1750 84 R 4.5579 8.6428 123.9911 55.5046 31.2252 174.4134 85 D 4.8106 7.7877 118.1963 51.4099 42.8583 174.4517 86 P 4.3371 0.0000 0.0000 65.9900 31.2636 178.5352 87 M 4.1130 8.2730 117.4750 58.2425 31.7782 178.5238 88 Q 3.9663 7.9566 119.6614 59.0669 29.2335 178.5184 89 V 3.5849 7.7489 118.6905 66.1306 31.7455 177.6985 90 L 4.0124 8.0270 118.6596 58.0744 41.3873 179.8811 91 R 3.9825 8.2927 117.9961 59.2404 29.9030 178.9867 92 E 4.1044 8.3386 118.5689 59.2415 29.4529 179.3133 93 I 3.5180 7.8662 120.0468 64.2356 37.1815 178.5269 94 V 3.4618 7.6612 118.6036 65.9581 31.3893 177.8528 95 A 3.9477 8.0440 120.5340 55.1961 18.1637 179.1578 96 C 2.0000 7.6271 117.5583 62.0898 31.3247 175.9903 97 T 3.6635 7.4789 111.1939 64.4231 67.9178 176.3057 98 K 3.8181 7.6996 121.7289 59.3044 32.3132 178.4445 99 A 3.9932 7.5990 120.0107 53.4821 19.7629 177.6343 100 F 4.7040 7.8495 115.7917 55.0001 39.0847 173.9787 101 P 4.4476 0.0000 0.0000 64.2176 31.8446 177.8703 102 D 4.6458 8.0510 116.5189 53.9040 41.3661 175.5858 103 A 4.7208 7.3502 121.1911 50.6029 20.9799 177.0612 104 Y 4.1958 8.6250 117.9490 57.8879 39.4116 175.2930 105 V 5.1942 8.9386 123.1289 61.1507 35.2642 174.2691 106 R 4.9993 9.4974 123.8681 54.2694 33.0190 173.8353 107 L 4.8623 8.1087 123.4737 53.9001 43.8844 175.6819 108 V 4.8184 8.6427 118.2416 59.4699 36.4418 174.1569 109 A 4.9157 8.1111 121.5586 50.3974 22.7935 175.1151 110 F 5.2212 9.0158 119.5454 55.7729 42.3168 174.1979 111 D 5.3559 8.9118 122.9591 52.7660 42.3359 176.6634 112 N 4.7286 9.1574 122.9682 54.2996 38.4264 176.4229 113 Q 4.1732 8.4144 118.0233 58.9736 29.0700 177.3670 114 K 4.0423 8.6128 114.9294 56.8912 32.8811 176.7509 115 Q 3.3849 8.0717 118.3406 55.8871 27.0410 172.7871 116 V 4.5027 7.8628 117.5338 60.0319 35.0175 174.1148 117 Q 4.3040 8.7831 123.3811 56.6294 29.2790 175.6032 118 I 4.2641 8.1406 124.4485 61.0244 40.0020 174.2292 119 M 4.5741 6.6636 117.4489 54.3864 34.4962 173.6334 120 G 4.9590 8.2368 108.2473 47.2653 0.0000 172.1934 121 F 5.0363 7.0816 116.2482 55.3043 41.1881 172.7675 122 L 4.5277 8.7931 122.7117 55.4954 42.0055 176.7655 123 V 4.4894 8.8842 118.3715 61.4773 34.0285 175.7292 124 Q 4.5687 7.7830 121.4478 54.3851 32.4088 173.2842 125 R 4.2946 8.0871 121.9138 52.8736 32.6473 173.5935 126 P 4.1571 0.0000 0.0000 62.7369 31.6235 177.4599 127 K 4.1794 8.4505 119.9987 59.0603 32.7870 177.9461 128 S 4.2901 7.9508 112.9227 59.4549 63.5780 174.2931 129 A 4.3251 7.8232 125.9495 52.6646 18.3945 177.3234 130 R 4.6990 8.7252 118.3060 55.9840 30.5410 175.0406 131 D 5.2825 8.8922 115.6011 52.5237 39.7054 175.3439 132 W 5.5869 7.7071 114.9005 55.3631 31.3490 173.9282 133 Q 4.3182 8.4170 117.5938 52.8762 31.2437 174.1862 134 P 4.4843 0.0000 0.0000 62.3900 31.8318 176.9516 135 A 3.9901 8.9093 122.9590 55.6223 18.1671 179.1204 136 N 4.6928 8.0599 109.1571 53.5964 37.7788 175.4370 137 K 4.4323 7.6847 117.2550 56.3549 33.0096 177.3802 138 R 3.5620 7.5829 119.8205 57.8771 30.1040 176.6421 139 S 5.0535 7.4306 110.1418 56.3799 66.1598 174.2346 140 V 3.9903 8.5878 114.3969 61.7797 32.3136 175.5796 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 4.48 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.58 4.48 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 3 V 8.30 4.37 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 1.11 0.00 0.00 0.97 0.00 0.00 4 W 8.95 4.62 0.00 3.47 3.04 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 5 T 8.12 4.19 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 1.13 0.00 0.00 6 P 0.00 4.57 0.00 2.23 2.19 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 7 V 7.29 4.32 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 0.80 0.00 0.00 0.91 0.00 0.00 8 N 8.40 4.65 0.00 2.75 2.79 0.00 0.00 6.33 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 9 N 8.21 5.21 0.00 2.68 2.68 0.00 0.00 7.26 6.68 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 10 K 8.37 4.09 0.00 2.01 1.59 0.00 0.61 0.00 0.00 1.20 0.00 0.00 2.43 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.34 1.47 7.81 11 M 8.32 5.00 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 12 F 8.46 4.56 0.00 3.12 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 13 E 8.41 3.47 0.00 2.12 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 2.20 2.13 0.00 14 T 8.35 3.87 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 0.20 0.00 0.00 15 F 9.07 4.52 0.00 3.29 3.13 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 16 S 8.25 4.51 0.00 4.14 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 17 Y 8.24 4.40 0.00 3.05 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 18 L 7.61 4.68 0.00 1.83 1.60 0.82 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.46 0.00 2.04 2.02 0.00 3.71 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 2.05 2.16 0.00 20 P 0.00 4.29 0.00 2.06 2.02 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 21 L 8.32 4.02 0.00 1.59 1.49 0.32 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.20 4.19 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 1.19 0.00 0.00 23 D 8.54 4.33 0.00 2.70 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 24 E 8.11 3.93 0.00 2.02 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 2.35 2.39 0.00 25 Q 8.01 3.93 0.00 2.28 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 8.01 3.72 2.06 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 1.67 0.71 1.08 0.00 0.00 27 A 8.38 4.03 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 28 A 8.07 3.96 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 29 Q 8.06 4.09 0.00 2.50 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.33 1.89 0.00 30 V 8.23 3.77 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 1.14 0.00 0.00 1.09 0.00 0.00 31 D 8.52 4.41 0.00 2.98 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 32 Y 8.17 4.18 0.00 3.21 3.36 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 33 I 7.95 3.90 2.16 0.00 0.00 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 1.70 0.88 1.07 0.00 0.00 34 V 7.81 3.52 2.08 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 1.01 0.00 0.00 0.98 0.00 0.00 35 A 8.08 3.91 1.25 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 0.00 0.00 0.00 36 N 7.11 4.07 0.00 1.44 1.42 0.00 0.00 7.03 8.66 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 37 G 7.37 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 38 W 7.55 4.90 0.00 3.36 3.08 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 39 I 8.86 4.39 2.12 0.00 0.00 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 1.47 0.85 0.74 0.00 0.00 40 P 0.00 4.90 0.00 2.09 1.99 0.00 3.80 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.86 4.99 0.00 3.10 2.69 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 0.00 0.00 0.00 0.00 42 L 8.74 5.34 0.00 1.85 1.62 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.19 5.63 0.00 2.07 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 2.38 2.35 0.00 44 F 9.13 5.59 0.00 3.06 3.01 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 45 A 8.27 4.52 -0.20 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 0.00 0.00 0.00 46 E 8.60 4.28 0.00 2.18 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 2.29 2.28 0.00 47 A 8.88 4.27 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.17 4.51 0.00 2.70 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 49 K 7.99 4.60 0.00 1.50 1.69 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.43 7.81 50 A 7.68 3.91 0.59 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 51 Y 7.45 4.69 0.00 2.95 2.77 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 52 V 8.39 3.84 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 0.56 0.00 0.00 0.76 0.00 0.00 53 S 9.00 4.73 0.00 4.04 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 54 N 8.57 5.26 0.00 2.77 2.85 0.00 0.00 6.57 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 55 E 8.30 3.98 0.00 2.15 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 0.00 2.38 2.37 0.00 56 S 8.85 3.96 0.00 3.95 3.70 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 57 A 7.62 2.58 1.18 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 0.00 0.00 58 I 6.95 3.58 1.78 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 1.48 0.81 0.87 0.00 0.00 59 R 7.64 4.26 0.00 1.82 1.98 0.00 3.18 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 60 F 7.17 5.12 0.00 3.04 2.77 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 61 G 8.27 4.02 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 0.00 0.00 0.00 62 S 8.43 4.62 0.00 3.86 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 63 V 7.25 4.42 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 0.65 0.00 0.00 0.44 0.00 0.00 64 S 8.18 4.53 0.00 4.14 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 0.00 65 C 8.05 4.02 0.00 2.96 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 66 L 8.43 3.58 0.00 1.78 1.76 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.70 4.33 0.00 2.95 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 68 Y 7.15 4.88 0.00 2.81 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 69 D 8.87 4.49 0.00 2.79 2.66 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 0.00 0.00 0.00 70 N 8.92 4.71 0.00 3.07 3.26 0.00 0.00 6.99 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 71 R 7.98 3.93 0.00 1.54 1.68 0.00 3.09 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 72 Y 7.68 4.35 0.00 3.05 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 73 W 8.66 5.09 0.00 3.09 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 74 T 8.19 4.30 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 0.91 0.00 0.00 75 M 8.53 4.49 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.77 0.00 76 W 9.47 4.81 0.00 3.66 3.30 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 77 K 8.52 3.41 0.00 1.65 0.74 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.72 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.84 0.21 7.81 78 L 8.26 4.93 0.00 1.60 1.58 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.32 0.00 0.66 1.84 0.00 3.65 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 1.96 2.15 0.00 80 M 8.80 4.32 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 81 F 7.29 4.49 0.00 3.10 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 82 G 9.14 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 83 C 7.96 4.27 0.00 3.04 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 84 R 8.64 4.56 0.00 1.80 1.86 0.00 3.22 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 85 D 7.79 4.81 0.00 2.72 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 86 P 0.00 4.34 0.00 2.22 2.12 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.27 4.11 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 88 Q 7.96 3.97 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.75 3.58 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 1.04 0.00 0.00 0.97 0.00 0.00 90 L 8.03 4.01 0.00 1.90 1.72 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.29 3.98 0.00 2.04 2.01 0.00 3.15 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 92 E 8.34 4.10 0.00 2.24 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 0.00 2.60 2.67 0.00 93 I 7.87 3.52 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 1.33 1.03 0.84 0.00 0.00 94 V 7.66 3.46 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 0.97 0.00 0.00 0.97 0.00 0.00 95 A 8.04 3.95 1.53 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 0.00 0.00 96 C 7.63 2.00 0.00 1.23 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 0.00 0.00 0.00 0.00 97 T 7.48 3.66 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 1.11 0.00 0.00 98 K 7.70 3.82 0.00 1.84 1.92 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.39 7.81 99 A 7.60 3.99 1.22 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 0.00 0.00 0.00 100 F 7.85 4.70 0.00 2.78 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 P 0.00 4.45 0.00 2.12 2.11 0.00 3.24 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 102 D 8.05 4.65 0.00 2.69 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 0.00 103 A 7.35 4.72 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 0.00 104 Y 8.62 4.20 0.00 2.50 2.66 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 0.00 0.00 0.00 105 V 8.94 5.19 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 0.99 0.00 0.00 0.86 0.00 0.00 106 R 9.50 5.00 0.00 1.84 1.93 0.00 2.35 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.37 0.00 107 L 8.11 4.86 0.00 1.52 0.82 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.64 4.82 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 0.42 0.00 0.00 0.49 0.00 0.00 109 A 8.11 4.92 1.21 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 0.00 0.00 110 F 9.02 5.22 0.00 3.01 2.92 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 0.00 111 D 8.91 5.36 0.00 2.37 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 9.16 4.73 0.00 2.94 3.05 0.00 0.00 6.32 7.39 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 0.00 113 Q 8.41 4.17 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.12 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 114 K 8.61 4.04 0.00 1.75 1.86 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.41 7.81 115 Q 8.07 3.38 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 116 V 7.86 4.50 2.08 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 0.58 0.00 0.00 0.91 0.00 0.00 117 Q 8.78 4.30 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.18 1.95 0.00 118 I 8.14 4.26 1.25 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.40 -0.52 0.00 0.00 119 M 6.66 4.57 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.80 0.00 120 G 8.24 4.96 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 0.00 0.00 0.00 121 F 7.08 5.04 0.00 3.23 3.30 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 0.00 122 L 8.79 4.53 0.00 1.59 1.59 0.69 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.88 4.49 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 0.64 0.00 0.00 0.91 0.00 0.00 124 Q 7.78 4.57 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 125 R 8.09 4.29 0.00 1.07 1.43 0.00 2.21 0.00 0.00 2.69 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.21 0.00 126 P 0.00 4.16 0.00 2.11 2.19 0.00 2.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 127 K 8.45 4.18 0.00 1.90 1.99 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.41 7.81 128 S 7.95 4.29 0.00 4.03 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 0.00 129 A 7.82 4.33 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.73 4.70 0.00 1.85 1.96 0.00 3.25 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 131 D 8.89 5.28 0.00 2.96 3.04 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 0.00 132 W 7.71 5.59 0.00 3.64 3.19 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 0.00 133 Q 8.42 4.32 0.00 1.87 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.02 0.00 134 P 0.00 4.48 0.00 2.30 2.09 0.00 3.40 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 135 A 8.91 3.99 1.38 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 0.00 0.00 0.00 136 N 8.06 4.69 0.00 2.83 2.94 0.00 0.00 5.84 7.13 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 0.00 137 K 7.68 4.43 0.00 1.58 1.68 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.39 7.81 138 R 7.58 3.56 0.00 1.55 0.66 0.00 3.11 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.57 0.00 139 S 7.43 5.05 0.00 4.01 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 0.00 140 V 8.59 3.99 2.05 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 0.60 0.00 0.00 0.90 0.00 0.00