NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1763 8.1727 122.0503 56.2867 34.1621 174.0834 2 V 4.5943 8.1353 126.5594 60.6941 32.4098 174.5125 3 F 4.3934 9.9647 129.0809 57.5297 40.2094 174.9694 4 E 4.1869 8.8895 120.9568 55.5761 30.9595 176.6682 5 R 3.2335 8.9833 120.3249 60.9618 29.9356 179.3062 6 C 4.2924 8.0173 115.2428 59.7964 37.5752 175.7854 7 E 3.9090 8.1125 120.5968 59.1929 29.2478 178.4658 8 L 3.4874 7.9761 120.0473 57.8223 42.0690 178.5108 9 A 3.9347 7.8483 120.6612 55.5323 18.3445 179.9057 10 R 3.8788 8.0168 116.2632 59.5630 30.2193 179.4810 11 T 3.8479 7.8439 115.5506 66.6867 68.4793 176.7079 12 L 3.8578 8.1052 121.2426 57.5181 41.6593 179.4515 13 K 3.8893 8.1368 119.6611 59.5847 31.9193 178.8914 14 R 3.9793 7.8758 117.8024 58.8004 29.9993 177.4100 15 L 4.4206 7.3930 116.5412 53.9316 41.6875 176.7790 16 G 3.8873 7.6577 106.4281 47.0021 0.0000 175.3218 17 M 3.8500 7.7784 121.5205 56.5197 32.3513 175.7866 18 D 4.3895 7.9858 117.8347 56.0236 41.1808 175.6459 19 G 3.9326 9.3901 115.5988 45.5190 0.0000 171.2572 20 Y 4.1512 8.3091 122.0589 58.3545 38.8544 176.1966 21 R 3.6159 8.9083 127.2055 57.3218 27.6995 177.3749 22 G 3.8025 8.0240 103.6119 45.6660 0.0000 174.1502 23 I 4.0512 7.6259 122.1968 59.2227 37.8513 175.8534 24 S 4.6437 8.3203 120.4727 57.6706 64.0309 174.8436 25 L 4.2091 9.2080 123.7473 58.7751 41.7377 179.4195 26 A 4.1665 8.2216 119.8607 55.3647 18.2316 179.2083 27 N 4.4895 8.2416 114.8614 56.1652 38.6301 177.7357 28 W 4.2168 8.0605 120.0352 60.0145 29.2085 178.3425 29 M 4.2079 8.4780 118.8486 58.5269 31.5070 178.0154 30 C 3.2971 7.9631 118.7406 58.9649 44.1372 175.3792 31 L 3.9574 8.1036 121.8162 58.2479 41.8013 178.7517 32 A 4.2059 8.2680 122.0296 54.3305 18.3929 179.3521 33 K 2.8429 7.9939 118.0271 59.4115 32.0376 179.0236 34 W 4.2813 7.5907 116.7435 58.9774 29.1288 178.3659 35 E 4.3383 8.3614 118.7881 58.5943 29.4631 177.6921 36 S 4.5157 8.0206 109.5988 56.5552 64.6743 174.5676 37 G 3.5288 7.8148 108.5317 46.8747 0.0000 173.3416 38 Y 3.6709 7.7594 113.4800 58.5635 35.4852 168.3874 39 N 5.3027 7.5559 118.8666 51.9628 40.2278 175.7367 40 T 4.0991 8.8862 117.2918 63.9092 69.2377 175.9849 41 R 4.4600 7.9879 116.6245 55.6371 29.8949 175.9201 42 A 4.3448 7.6748 121.4754 52.5696 19.1650 177.2588 43 T 5.0496 8.4749 112.1348 59.9377 72.4846 173.4336 44 N 4.8010 8.9364 122.1383 52.4058 41.8600 172.4701 45 Y 4.6030 8.6916 128.3157 57.2124 40.8772 173.8499 46 N 4.4784 8.1008 123.8894 51.2166 38.6501 175.3956 47 A 3.7529 8.3650 128.5548 54.7932 18.8191 179.7930 48 G 3.7705 7.9121 103.9201 47.9005 0.0000 173.6735 49 D 4.6136 6.9549 115.8198 52.0211 40.7289 176.1630 50 R 3.9862 8.2852 116.4918 56.7699 28.3942 175.4304 51 A 4.9387 7.6170 119.6599 50.6235 22.0684 176.5768 52 T 4.9909 8.8599 115.7860 61.8450 72.5739 172.8295 53 D 5.4484 8.9087 125.2269 53.2397 43.0661 175.0247 54 Y 4.9965 9.2324 121.5239 57.4521 41.3345 177.4735 55 G 4.3614 9.1522 112.3479 46.0035 0.0000 173.3857 56 I 4.0392 8.1422 116.4302 62.9692 37.8843 177.8478 57 F 4.8610 7.9272 115.3442 56.3865 39.8321 175.2897 58 Q 3.6036 7.9243 119.1975 57.1141 26.6181 174.1902 59 I 4.4306 8.1463 118.8845 60.9967 39.3703 177.0630 60 N 5.2711 9.2744 126.0897 53.7612 39.8523 175.3227 61 S 4.8230 9.0120 119.8732 59.2940 63.4552 175.0520 62 R 3.8467 8.9622 122.8642 58.5178 30.5081 177.5173 63 Y 4.1596 7.8207 114.9084 57.9917 40.4529 177.0261 64 W 4.8268 8.0518 118.5500 58.0379 30.9053 174.1765 65 C 5.6959 8.3104 112.3438 53.5194 40.1919 171.8130 66 N 5.1767 9.0036 118.6257 51.9324 40.2471 174.4824 67 D 4.7481 8.9483 124.2036 52.4295 40.3711 177.3617 68 G 3.9918 8.6094 108.1505 45.8816 0.0000 174.4147 69 K 4.5056 8.2550 116.7709 56.5463 33.2206 175.6961 70 T 4.4976 7.7899 116.7293 61.3515 69.5932 172.8202 71 P 4.2475 0.0000 0.0000 63.7328 31.8800 176.2698 72 G 3.8735 8.6545 109.7587 46.3009 0.0000 173.2156 73 A 4.2909 7.9440 121.4991 51.2412 19.4176 178.1637 74 V 4.3077 8.3323 116.6698 59.7351 34.1955 176.2587 75 N 4.8153 8.1554 121.1963 51.5911 38.0623 174.6462 76 A 3.9024 8.4691 124.7001 55.3245 19.0345 178.6941 77 C 4.4727 8.5493 110.8034 57.5713 40.9251 173.0789 78 H 4.1788 8.0360 116.3136 56.8295 26.3109 174.1475 79 L 4.8654 8.3489 117.3852 52.8330 46.3087 176.4941 80 S 4.6894 8.3300 115.0734 57.8946 63.3185 176.0499 81 C 4.1292 8.4355 124.2769 59.7195 35.6425 176.3305 82 S 3.8931 7.6378 114.7191 61.3099 61.7619 176.0385 83 A 4.1127 8.0383 123.3385 54.5237 17.8138 178.4554 84 L 4.5647 7.6771 116.4481 55.0247 41.5771 177.7078 85 L 5.0137 7.7184 116.7374 54.5217 42.6116 176.7618 86 Q 4.3869 7.5050 116.9461 55.2636 29.5044 176.0173 87 D 4.4043 8.4809 119.3015 57.0010 41.1420 176.6759 88 N 4.5575 8.0367 118.0971 53.1904 38.9396 174.4871 89 I 4.2298 8.4439 119.2895 61.2143 38.0797 177.0503 90 A 3.9362 8.5565 125.5068 55.9593 18.1283 180.1802 91 D 4.3276 8.0724 116.5592 57.2716 40.9409 178.6545 92 A 4.0918 7.9666 120.9851 55.1167 18.3716 179.7427 93 V 3.3937 8.0843 116.7449 66.0014 31.4707 178.2113 94 A 3.8187 7.8295 120.2561 55.0796 18.1402 178.8755 95 C 4.2096 8.4241 116.9903 59.7348 38.0545 175.5646 96 A 3.9049 8.2656 122.7137 55.1261 17.5910 179.7886 97 K 3.7881 7.7402 116.4578 59.2788 32.2665 179.2069 98 R 4.0511 7.5677 119.1266 59.4131 30.1767 178.4225 99 V 2.2652 7.3184 117.9192 65.8695 31.4758 177.9301 100 V 3.8859 7.5136 109.3635 62.4223 31.3472 177.5528 101 R 4.2586 7.7015 118.2143 56.9153 30.5743 175.8811 102 D 4.7319 7.3690 118.4146 53.2531 41.9321 175.2473 103 P 4.2230 0.0000 0.0000 66.3406 31.1110 177.8314 104 Q 4.0059 8.1256 117.4401 56.5333 29.9624 177.1035 105 G 3.8758 7.9072 106.8932 46.8643 0.0000 176.2009 106 I 3.6394 7.7592 120.3744 63.4649 37.9957 177.9866 107 R 4.2509 7.1697 118.2262 58.1037 29.9415 177.5674 108 A 3.9166 7.6479 120.7707 53.9591 18.7333 177.4601 109 W 4.8134 8.1537 116.7639 55.2586 30.3724 177.3901 110 V 3.7092 8.8077 123.4128 66.0816 30.9727 177.5333 111 A 4.0310 8.3545 120.0502 55.0518 18.0708 179.1954 112 W 3.9808 8.3140 126.2853 60.7474 30.5466 178.4893 113 R 3.6789 8.0856 116.4636 59.0411 29.6339 178.4589 114 N 4.3771 7.9742 115.6529 55.6249 38.7622 176.8756 115 R 4.1949 7.6486 113.3420 55.9566 30.3834 175.3291 116 C 4.5527 7.1274 115.6565 58.3164 43.0055 174.2435 117 Q 3.3021 6.7343 120.0074 57.3026 28.6229 175.6807 118 N 4.2126 8.7405 120.4951 54.1712 36.0646 173.6727 119 R 4.5154 7.4101 115.6840 54.0827 33.0814 175.7741 120 D 4.5773 8.4071 118.8584 54.0225 39.9615 175.5153 121 V 4.6017 8.1285 118.2529 61.1196 32.3071 178.5399 122 R 4.0502 8.0909 122.7223 59.2328 30.2059 178.8653 123 Q 3.9492 8.2224 115.5952 59.4162 28.3034 178.6431 124 Y 4.3316 7.6585 115.0125 60.0993 38.1279 176.9564 125 V 4.4218 8.0406 111.0892 60.7177 32.7567 175.2576 126 Q 4.1631 7.6725 119.4478 57.1113 28.7201 177.0134 127 G 3.9645 8.9046 110.4581 46.0028 0.0000 174.6515 128 C 4.3918 7.9803 116.0536 57.1485 40.5677 173.9195 129 G 3.8158 8.1351 107.1304 46.8795 0.0000 174.0636 130 V 4.0020 7.8894 117.9580 61.0752 32.0377 175.9260 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 K 8.17 4.18 0.00 1.96 1.69 0.00 1.26 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.92 1.12 7.81 2 V 8.14 4.59 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 0.90 0.00 0.00 0.94 0.00 0.00 3 F 9.96 4.39 0.00 2.88 2.83 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 4 E 8.89 4.19 0.00 1.89 1.86 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 2.29 2.38 0.00 5 R 8.98 3.23 0.00 1.92 1.88 0.00 3.40 0.00 0.00 3.47 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 6 C 8.02 4.29 0.00 3.00 3.12 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 0.00 0.00 0.00 7 E 8.11 3.91 0.00 2.07 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 2.68 2.45 0.00 8 L 7.98 3.49 0.00 1.39 1.42 -0.12 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.85 3.93 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 10 R 8.02 3.88 0.00 1.88 1.99 0.00 3.14 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 11 T 7.84 3.85 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 12 L 8.11 3.86 0.00 1.72 1.57 0.94 0.33 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 13 K 8.14 3.89 0.00 1.92 1.94 0.00 1.65 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.88 3.98 0.00 1.98 2.07 0.00 3.30 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.39 4.42 0.00 1.67 1.54 0.82 0.66 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 16 G 7.66 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 17 M 7.78 3.85 0.00 1.23 1.92 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.20 0.00 18 D 7.99 4.39 0.00 2.67 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 19 G 9.39 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 0.00 0.00 0.00 20 Y 8.31 4.15 0.00 3.35 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 21 R 8.91 3.62 0.00 1.94 1.87 0.00 3.26 0.00 0.00 3.02 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.44 0.00 22 G 8.02 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 0.00 0.00 0.00 23 I 7.63 4.05 1.89 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.70 -0.30 0.00 0.00 24 S 8.32 4.64 0.00 4.07 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 25 L 9.21 4.21 0.00 2.09 1.82 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.22 4.17 1.52 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 0.00 0.00 27 N 8.24 4.49 0.00 2.81 2.77 0.00 0.00 6.92 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 28 W 8.06 4.22 0.00 3.57 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 29 M 8.48 4.21 0.00 2.17 2.36 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.90 0.00 30 C 7.96 3.30 0.00 2.64 3.17 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 0.00 0.00 0.00 0.00 31 L 8.10 3.96 0.00 1.87 1.90 0.50 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.27 4.21 1.44 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 33 K 7.99 2.84 0.00 1.70 1.77 0.00 0.66 0.00 0.00 1.08 0.00 0.00 2.57 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.15 0.22 7.81 34 W 7.59 4.28 0.00 3.36 3.26 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 35 E 8.36 4.34 0.00 1.99 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 0.00 2.54 2.33 0.00 36 S 8.02 4.52 0.00 4.06 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 37 G 7.81 3.53 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 0.00 38 Y 7.76 3.67 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 39 N 7.56 5.30 0.00 2.93 2.81 0.00 0.00 7.01 7.10 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 40 T 8.89 4.10 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 1.44 0.00 0.00 41 R 7.99 4.46 0.00 2.00 2.09 0.00 3.13 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 42 A 7.67 4.34 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 43 T 8.47 5.05 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 1.36 0.00 0.00 44 N 8.94 4.80 0.00 2.99 2.68 0.00 0.00 6.88 8.39 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 45 Y 8.69 4.60 0.00 3.06 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 0.00 46 N 8.10 4.48 0.00 2.65 2.59 0.00 0.00 6.68 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 47 A 8.36 3.75 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 48 G 7.91 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 49 D 6.95 4.61 0.00 2.88 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 50 R 8.29 3.99 0.00 2.04 2.23 0.00 3.13 0.00 0.00 3.15 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 51 A 7.62 4.94 1.20 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 52 T 8.86 4.99 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 0.75 0.00 0.00 53 D 8.91 5.45 0.00 2.71 2.83 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 54 Y 9.23 5.00 0.00 2.98 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 55 G 9.15 4.36 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 0.00 56 I 8.14 4.04 1.67 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.72 0.11 0.00 0.00 57 F 7.93 4.86 0.00 3.22 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 58 Q 7.92 3.60 0.00 2.51 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.69 0.00 59 I 8.15 4.43 2.15 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.12 1.17 0.00 0.00 60 N 9.27 5.27 0.00 3.04 3.15 0.00 0.00 6.98 7.16 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 61 S 9.01 4.82 0.00 4.12 4.45 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 62 R 8.96 3.85 0.00 1.63 1.71 0.00 2.72 0.00 0.00 2.88 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 63 Y 7.82 4.16 0.00 1.52 1.52 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 64 W 8.05 4.83 0.00 3.59 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 65 C 8.31 5.70 0.00 3.09 3.25 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 66 N 9.00 5.18 0.00 2.83 2.69 0.00 0.00 7.17 9.28 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 67 D 8.95 4.75 0.00 2.85 2.68 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 68 G 8.61 3.99 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 0.00 0.00 0.00 69 K 8.26 4.51 0.00 1.89 1.89 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.45 7.81 70 T 7.79 4.50 4.24 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 1.17 0.00 0.00 71 P 0.00 4.25 0.00 2.01 1.97 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 72 G 8.65 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 73 A 7.94 4.29 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 74 V 8.33 4.31 1.99 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 0.62 0.00 0.00 0.83 0.00 0.00 75 N 8.16 4.82 0.00 2.76 2.70 0.00 0.00 7.00 7.77 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 76 A 8.47 3.90 1.31 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 0.00 0.00 77 C 8.55 4.47 0.00 3.27 3.23 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 78 H 8.04 4.18 0.00 3.32 3.38 0.00 5.62 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 79 L 8.35 4.87 0.00 1.67 1.50 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.33 4.69 0.00 3.83 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 81 C 8.44 4.13 0.00 2.29 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 82 S 7.64 3.89 0.00 3.83 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 83 A 8.04 4.11 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 0.00 0.00 0.00 0.00 0.00 84 L 7.68 4.56 0.00 1.92 1.79 1.06 0.64 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 85 L 7.72 5.01 0.00 1.83 1.71 1.10 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.51 4.39 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 87 D 8.48 4.40 0.00 2.65 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 88 N 8.04 4.56 0.00 2.70 2.76 0.00 0.00 6.97 7.94 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 89 I 8.44 4.23 1.79 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.43 0.96 0.00 0.00 90 A 8.56 3.94 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 91 D 8.07 4.33 0.00 2.72 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 92 A 7.97 4.09 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 93 V 8.08 3.39 2.06 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 0.77 0.00 0.00 0.88 0.00 0.00 94 A 7.83 3.82 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 95 C 8.42 4.21 0.00 3.14 3.28 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 96 A 8.27 3.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.74 3.79 0.00 1.62 1.45 0.00 1.31 0.00 0.00 0.84 0.00 0.00 2.25 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.95 7.81 98 R 7.57 4.05 0.00 1.90 2.18 0.00 3.28 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.95 0.00 99 V 7.32 2.27 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 -0.31 0.00 0.00 -0.33 0.00 0.00 100 V 7.51 3.89 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 1.08 0.00 0.00 1.40 0.00 0.00 101 R 7.70 4.26 0.00 2.20 2.02 0.00 3.33 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 102 D 7.37 4.73 0.00 3.15 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.15 2.20 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 104 Q 8.13 4.01 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.73 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 105 G 7.91 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 0.00 106 I 7.76 3.64 0.99 0.00 0.00 -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 -0.30 0.33 -0.38 0.00 0.00 107 R 7.17 4.25 0.00 2.01 2.04 0.00 3.23 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.59 0.00 108 A 7.65 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.15 4.81 0.00 3.58 3.22 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 0.00 110 V 8.81 3.71 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 1.09 0.00 0.00 1.00 0.00 0.00 111 A 8.35 4.03 1.50 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 0.00 0.00 0.00 112 W 8.31 3.98 0.00 3.49 3.50 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 0.00 113 R 8.09 3.68 0.00 2.06 1.96 0.00 3.57 0.00 0.00 3.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.08 0.00 114 N 7.97 4.38 0.00 2.67 2.68 0.00 0.00 6.89 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 0.00 115 R 7.65 4.19 0.00 0.96 1.05 0.00 2.73 0.00 0.00 2.80 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.50 0.00 116 C 7.13 4.55 0.00 1.91 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 0.00 117 Q 6.73 3.30 0.00 0.93 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.66 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 118 N 8.74 4.21 0.00 2.80 2.84 0.00 0.00 6.90 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 0.00 119 R 7.41 4.52 0.00 1.89 1.82 0.00 3.16 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 120 D 8.41 4.58 0.00 2.64 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 0.00 121 V 8.13 4.60 2.41 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 1.12 0.00 0.00 1.06 0.00 0.00 122 R 8.09 4.05 0.00 2.02 2.01 0.00 3.36 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 1.69 1.63 0.00 123 Q 8.22 3.95 0.00 2.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.90 0.00 0.00 0.00 0.00 0.00 2.17 1.53 0.00 124 Y 7.66 4.33 0.00 3.20 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 0.00 125 V 8.04 4.42 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 1.07 0.00 0.00 1.06 0.00 0.00 126 Q 7.67 4.16 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.75 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 127 G 8.90 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 0.00 0.00 0.00 128 C 7.98 4.39 0.00 2.97 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 0.00 129 G 8.14 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 0.00 130 V 7.89 4.00 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 0.77 0.00 0.00 0.96 0.00 0.00