NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 4.2595 8.3393 109.7731 43.4457 0.0000 174.2386 0 H 4.4939 8.5534 114.5163 55.2723 29.6125 173.3095 1 M 4.2849 7.9789 121.9333 54.4351 33.9582 175.6140 2 N 5.4762 8.4447 121.1501 51.0162 42.5825 174.5048 3 L 3.9271 9.0301 129.8622 58.5324 42.2089 179.2909 4 T 3.8212 7.9593 115.2402 66.6299 68.2040 176.0518 5 E 3.9357 8.3118 119.2654 59.4869 29.9796 178.4994 6 L 4.1462 7.8768 118.4036 57.5844 41.4090 179.5950 7 K 4.1088 7.9619 117.8149 58.5585 31.9405 177.9960 8 N 4.8509 7.5385 114.5984 52.2448 39.0988 174.3649 9 T 4.5056 7.2505 117.9743 61.1938 70.3473 173.7242 10 P 4.3276 0.0000 0.0000 62.9647 33.3606 177.7242 11 V 3.6395 8.3812 120.1675 65.9049 31.5147 178.4547 12 S 4.1158 8.1151 113.7535 61.8398 62.6441 176.4568 13 E 4.0223 8.1249 121.7990 58.7259 29.2497 179.1963 14 L 4.0185 7.7843 118.8281 57.7616 41.6023 179.4887 15 I 3.7467 8.2988 120.1783 64.5545 37.0241 178.5070 16 T 3.8418 7.9682 116.5088 66.5745 68.4712 176.2652 17 L 4.0515 7.9385 122.1798 58.1199 42.0596 179.2461 18 G 3.6255 8.6090 106.1382 47.8781 0.0000 175.5731 19 E 3.9924 8.5779 120.8949 58.8665 29.3317 178.6588 20 N 4.3063 8.1483 117.4297 56.4219 39.0901 175.8750 21 M 4.3976 7.6687 117.4443 55.5785 32.2881 176.9048 22 G 3.9448 8.1689 108.1358 45.3290 0.0000 173.7314 23 L 4.3650 7.6421 119.5393 53.2242 42.7561 177.1963 24 E 4.0083 8.6103 121.3285 56.5957 28.0703 176.1198 25 N 4.0590 8.1300 122.0973 54.2418 35.7607 175.3066 26 L 4.0220 7.5487 123.8176 57.3713 42.8241 179.6401 27 A 3.9364 8.2622 121.2546 55.2239 18.0014 178.5092 28 R 4.2843 7.4152 107.2638 56.7596 30.1976 176.5409 29 M 4.3860 7.4429 118.7599 54.4202 33.4789 176.7269 30 R 4.1676 8.0653 119.2329 55.5262 32.3811 177.9681 31 K 3.8463 8.4195 121.2247 59.9096 32.2455 178.6517 32 Q 3.7639 7.9606 119.1864 59.4580 28.8986 178.0773 33 D 4.2180 7.8226 119.1063 56.9915 40.8596 178.6888 34 I 3.7565 7.6054 120.3601 64.4081 37.0239 178.4557 35 I 3.7904 7.6870 120.4993 64.4322 36.8783 178.5367 36 F 4.5718 8.4376 118.5286 60.5598 38.7434 177.5473 37 A 4.0732 8.3017 120.4183 55.2172 18.2177 179.6529 38 I 3.6624 7.9681 118.2554 64.7498 37.1799 178.7829 39 L 4.1374 8.3776 119.9533 57.6228 41.2256 179.6994 40 K 3.9285 8.1507 117.7510 59.5421 32.2305 178.8653 41 Q 4.1061 8.1127 119.7703 59.5002 28.8833 177.6911 42 H 4.2622 8.5219 119.1202 59.1814 29.9206 177.0775 43 A 4.0049 8.5134 122.8053 54.6671 17.9149 179.6075 44 K 4.0375 7.7049 116.3930 59.0369 32.1462 178.8488 45 S 4.3548 7.6509 113.2960 59.0415 63.1786 175.2308 46 G 3.8527 7.9329 110.8048 45.4011 0.0000 173.4700 47 E 4.1054 7.3915 119.9632 55.7588 29.9723 176.0058 48 D 4.5558 8.3746 122.7036 53.8471 42.0512 175.5648 49 I 4.7574 7.7551 122.3508 59.5708 41.2382 174.4559 50 F 5.2917 8.8074 123.5757 56.2144 42.6705 174.4614 51 G 4.5757 8.8386 106.5353 46.1400 0.0000 171.5356 52 D 5.1083 7.9569 118.7873 51.4399 42.3220 174.1743 53 G 4.0130 7.5005 105.4939 46.5111 0.0000 170.9082 54 V 4.7936 7.7960 120.1982 61.0928 33.1551 175.2619 55 L 4.5951 8.9880 131.1889 55.1224 43.5128 175.0665 56 E 4.8690 9.3316 126.7961 54.4962 32.6922 174.4043 57 I 4.3141 8.2900 128.3133 60.1602 38.4838 175.9751 58 L 4.3823 7.8524 125.5090 53.1632 43.3054 177.5330 59 Q 4.1290 8.2473 117.5129 59.1539 28.6151 177.5671 60 D 4.4620 7.7977 115.6754 55.1770 41.1385 177.0601 61 G 3.9114 8.2937 108.5335 44.6040 0.0000 173.5685 62 F 4.6072 7.4491 115.0789 55.8818 40.8214 174.1257 63 G 4.4798 8.7899 105.5692 44.7861 0.0000 171.2001 64 F 5.4535 8.7973 116.8693 55.4372 43.4874 174.9365 65 L 4.7230 9.1099 123.4588 54.6360 42.4119 176.7058 66 R 4.7191 9.2260 124.3627 55.6324 32.1914 176.6479 67 S 5.2702 8.3659 116.0397 56.9719 66.0523 171.8789 68 A 4.6720 8.2695 121.7140 51.0230 21.6178 175.3046 69 D 4.2052 8.3891 115.0335 55.2902 38.4708 174.3960 *74 A 4.1165 7.8952 121.5957 52.0715 20.1895 176.2821 75 G 4.1235 7.7896 116.4323 46.0525 0.0000 174.1729 76 P 4.5904 0.0000 0.0000 64.2087 31.4987 176.6556 77 D 5.1823 8.0455 115.2514 52.7444 39.9903 175.8867 78 D 4.7338 7.7262 119.6066 55.4690 41.8381 175.9649 79 I 4.9081 8.3411 121.3151 59.5770 39.6596 174.7075 80 Y 4.2755 9.5221 129.7549 57.7297 40.1615 174.7894 81 V 4.3703 7.5695 125.6950 60.7768 34.7111 175.2115 82 S 4.3530 8.9397 122.5655 57.2478 63.2412 173.1566 83 P 4.3584 0.0000 0.0000 65.3285 31.0218 179.1485 84 S 4.2213 8.0384 112.9616 61.1613 63.1183 176.4862 85 Q 4.1599 8.0087 121.4294 58.7773 28.6460 178.0230 86 I 3.7118 7.5610 120.4232 64.5665 36.9910 178.3906 87 R 3.8564 7.8000 117.6727 59.3257 30.0092 178.1280 88 R 3.8157 7.6812 117.0981 59.2921 30.2218 177.8520 89 F 4.3807 7.8952 113.7220 56.3124 40.4791 174.8311 90 N 4.1724 7.8716 116.4237 54.4273 37.2204 173.6807 91 L 4.6299 7.5178 117.5713 54.3362 43.6904 176.8919 92 R 4.7377 9.4180 119.7004 54.2224 34.2594 175.0276 93 T 4.2824 8.2608 116.4778 65.3003 68.6621 175.2810 94 G 3.9972 9.0047 115.6187 44.8640 0.0000 173.4359 95 D 4.5107 8.0294 120.5421 54.7899 42.0976 175.5356 96 T 4.8475 8.4182 119.4027 62.6485 69.7962 174.2273 97 I 4.7741 8.7165 127.3642 59.3800 41.1056 174.8508 98 S 5.0903 8.3699 119.2086 56.8016 67.1449 173.0623 99 G 4.4399 8.1732 106.9401 46.1603 0.0000 172.3545 100 K 4.3704 8.2621 119.4025 55.9432 33.2317 176.7640 101 I 5.2416 8.4362 116.4809 59.1491 41.1298 174.1949 102 R 4.8225 9.0157 118.5322 53.6288 33.1163 173.0074 103 P 3.6405 0.0000 0.0000 60.8470 32.2290 174.7295 104 P 4.3891 0.0000 0.0000 63.0919 32.1190 175.8524 105 K 4.4050 9.3703 121.6290 54.4306 35.0732 174.9574 106 E 3.9688 8.5073 117.7001 58.6996 29.3734 177.7764 107 G 3.9551 9.1113 112.3124 44.9560 0.0000 172.9245 108 E 4.5819 7.9965 118.4917 54.9049 31.3840 176.0224 109 R 4.3553 8.3449 117.9080 56.1079 31.9211 175.5849 110 Y 4.7875 7.4126 114.0854 55.4498 41.8937 175.4133 111 F 4.2474 9.1838 119.8389 58.0912 40.5148 174.0690 112 A 5.4149 8.8863 122.9721 49.8022 22.3088 175.3131 113 L 4.2256 8.9942 124.8490 55.7686 42.3339 176.2039 114 L 4.5420 9.0032 126.8567 56.1202 42.7700 176.9230 115 K 4.5990 7.5625 116.4898 54.7137 36.2863 176.7850 116 V 3.9857 7.9560 118.1504 61.1211 32.5943 175.2248 117 N 4.5555 9.7108 115.8437 53.7016 36.9702 173.7474 118 E 4.2550 7.9529 120.9341 56.2229 30.8043 175.1377 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 G 8.34 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 0.00 0.00 0.00 0.00 0 H 8.55 4.49 0.00 3.40 3.44 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.98 4.28 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 2 N 8.44 5.48 0.00 2.76 2.64 0.00 0.00 6.83 6.66 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 3 L 9.03 3.93 0.00 1.57 1.57 0.82 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.96 3.82 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 5 E 8.31 3.94 0.00 1.94 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 2.30 2.47 0.00 6 L 7.88 4.15 0.00 1.77 1.71 0.93 0.67 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 7 K 7.96 4.11 0.00 1.89 1.86 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.65 7.81 8 N 7.54 4.85 0.00 2.68 2.81 0.00 0.00 6.94 8.30 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 9 T 7.25 4.51 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 1.21 0.00 0.00 10 P 0.00 4.33 0.00 2.15 1.98 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 11 V 8.38 3.64 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 0.98 0.00 0.00 0.92 0.00 0.00 12 S 8.12 4.12 0.00 4.08 4.12 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 13 E 8.12 4.02 0.00 2.15 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 2.40 2.40 0.00 14 L 7.78 4.02 0.00 1.85 1.72 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.30 3.75 2.00 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 1.52 0.86 0.91 0.00 0.00 16 T 7.97 3.84 4.40 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 1.21 0.00 0.00 17 L 7.94 4.05 0.00 1.78 1.84 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.61 3.63 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 0.00 0.00 0.00 19 E 8.58 3.99 0.00 2.19 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 2.55 2.32 0.00 20 N 8.15 4.31 0.00 2.85 2.99 0.00 0.00 7.23 7.18 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 21 M 7.67 4.40 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 22 G 8.17 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.64 4.37 0.00 1.75 1.64 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.61 4.01 0.00 1.92 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 2.29 2.39 0.00 25 N 8.13 4.06 0.00 2.87 3.04 0.00 0.00 7.03 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 26 L 7.55 4.02 0.00 1.71 1.72 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.26 3.94 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 0.00 0.00 0.00 0.00 0.00 28 R 7.42 4.28 0.00 1.96 2.05 0.00 3.06 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 29 M 7.44 4.39 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.44 0.00 30 R 8.07 4.17 0.00 1.77 1.78 0.00 3.06 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 31 K 8.42 3.85 0.00 1.79 1.76 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.48 7.81 32 Q 7.96 3.76 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 1.54 2.06 0.00 33 D 7.82 4.22 0.00 2.66 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 34 I 7.61 3.76 2.02 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 1.52 0.70 0.92 0.00 0.00 35 I 7.69 3.79 2.07 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 1.54 0.90 1.00 0.00 0.00 36 F 8.44 4.57 0.00 3.24 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 37 A 8.30 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.97 3.66 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.84 0.93 0.00 0.00 39 L 8.38 4.14 0.00 1.94 1.95 0.79 1.30 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 40 K 8.15 3.93 0.00 1.82 1.86 0.00 1.89 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.43 7.81 41 Q 8.11 4.11 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 42 H 8.52 4.26 0.00 3.40 3.46 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.51 4.00 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 44 K 7.70 4.04 0.00 1.89 1.88 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.58 7.81 45 S 7.65 4.35 0.00 3.96 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 46 G 7.93 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 0.00 0.00 0.00 47 E 7.39 4.11 0.00 1.77 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 2.38 2.35 0.00 48 D 8.37 4.56 0.00 2.68 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 0.00 0.00 0.00 49 I 7.76 4.76 1.85 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 1.45 0.84 0.94 0.00 0.00 50 F 8.81 5.29 0.00 3.00 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 51 G 8.84 4.58 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 0.00 0.00 0.00 52 D 7.96 5.11 0.00 2.78 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 53 G 7.50 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 54 V 7.80 4.79 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 0.80 0.00 0.00 0.94 0.00 0.00 55 L 8.99 4.60 0.00 1.78 1.52 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.33 4.87 0.00 2.03 1.77 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 2.18 2.24 0.00 57 I 8.29 4.31 1.80 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 1.22 0.64 0.80 0.00 0.00 58 L 7.85 4.38 0.00 0.89 1.30 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.25 4.13 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 60 D 7.80 4.46 0.00 2.87 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 G 8.29 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 0.00 0.00 0.00 62 F 7.45 4.61 0.00 3.02 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 63 G 8.79 4.48 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 0.00 0.00 0.00 64 F 8.80 5.45 0.00 2.95 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 65 L 9.11 4.72 0.00 1.68 1.66 0.95 1.09 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 66 R 9.23 4.72 0.00 1.70 1.85 0.00 3.26 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 67 S 8.37 5.27 0.00 3.86 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 68 A 8.27 4.67 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 69 D 8.39 4.21 0.00 2.75 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 *74 A 7.90 4.12 1.26 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 0.00 0.00 75 G 7.79 4.12 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 0.00 0.00 0.00 76 P 0.00 4.59 0.00 2.34 2.21 0.00 3.68 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 2.10 2.10 0.00 77 D 8.05 5.18 0.00 2.89 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 78 D 7.73 4.73 0.00 2.35 2.50 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 79 I 8.34 4.91 2.00 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 1.23 1.09 1.06 0.00 0.00 80 Y 9.52 4.28 0.00 3.16 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 81 V 7.57 4.37 1.88 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 0.87 0.00 0.00 0.93 0.00 0.00 82 S 8.94 4.35 0.00 3.94 3.72 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 83 P 0.00 4.36 0.00 2.23 2.11 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 84 S 8.04 4.22 0.00 4.05 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 85 Q 8.01 4.16 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 86 I 7.56 3.71 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.90 0.90 0.00 0.00 87 R 7.80 3.86 0.00 1.80 2.04 0.00 3.25 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 88 R 7.68 3.82 0.00 1.76 1.57 0.00 3.10 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 89 F 7.90 4.38 0.00 3.23 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 90 N 7.87 4.17 0.00 2.83 2.86 0.00 0.00 7.14 7.06 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 91 L 7.52 4.63 0.00 1.70 1.59 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 92 R 9.42 4.74 0.00 1.76 1.76 0.00 3.13 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 93 T 8.26 4.28 4.23 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 1.20 0.00 0.00 94 G 9.00 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 95 D 8.03 4.51 0.00 2.67 2.60 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 96 T 8.42 4.85 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 1.21 0.00 0.00 97 I 8.72 4.77 1.87 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 1.25 1.12 0.88 0.00 0.00 98 S 8.37 5.09 0.00 3.83 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 99 G 8.17 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 0.00 100 K 8.26 4.37 0.00 1.61 1.43 0.00 1.55 0.00 0.00 1.55 0.00 0.00 3.24 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.81 1.39 7.81 101 I 8.44 5.24 2.09 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 1.44 0.77 0.95 0.00 0.00 102 R 9.02 4.82 0.00 1.76 2.00 0.00 2.74 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 103 P 0.00 3.64 0.00 1.67 1.54 0.00 3.57 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 1.91 2.01 0.00 104 P 0.00 4.39 0.00 1.98 2.04 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 105 K 9.37 4.40 0.00 1.87 1.91 0.00 1.15 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.58 7.81 106 E 8.51 3.97 0.00 1.93 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 2.28 2.30 0.00 107 G 9.11 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 0.00 108 E 8.00 4.58 0.00 2.04 1.74 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 2.07 2.13 0.00 109 R 8.34 4.36 0.00 1.60 1.53 0.00 3.14 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 110 Y 7.41 4.79 0.00 3.04 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 0.00 111 F 9.18 4.25 0.00 3.07 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 0.00 112 A 8.89 5.41 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 0.00 113 L 8.99 4.23 0.00 1.66 1.60 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 114 L 9.00 4.54 0.00 1.62 1.66 0.88 0.80 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 0.00 115 K 7.56 4.60 0.00 1.62 1.63 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 116 V 7.96 3.99 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 0.39 0.00 0.00 -0.38 0.00 0.00 117 N 9.71 4.56 0.00 2.67 3.15 0.00 0.00 6.70 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 0.00 118 E 7.95 4.25 0.00 2.24 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 0.00 2.30 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.