NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5941 8.1233 122.4773 52.0356 20.5977 175.5012 2 F 4.7860 8.8835 117.6909 55.3595 41.4144 170.2313 3 V 4.5405 9.0131 120.5832 61.3187 35.4678 173.9800 4 V 4.5950 8.9264 127.9155 62.6347 32.3637 175.1127 5 T 4.0446 8.5907 119.7837 59.6718 71.0896 173.4774 6 D 4.1292 7.8342 118.8796 57.9897 41.0690 178.0736 7 N 4.6182 8.0022 114.7991 55.0483 39.5194 175.1514 8 C 4.3673 8.1329 118.7029 62.6214 31.9605 173.7601 9 I 4.2280 7.5948 120.3524 62.6444 36.8939 176.2129 10 K 3.7730 8.8536 123.4514 57.0894 30.6909 176.1017 11 C 4.3673 8.3859 116.5125 61.0433 29.6329 173.4597 12 K 3.6302 7.9508 116.5377 57.7282 31.0771 174.8214 *14 T 4.2084 8.2167 113.9674 61.2068 70.4610 175.3500 15 D 4.3059 7.9263 124.6160 57.7188 40.2016 177.8906 16 C 3.9010 7.9274 114.6963 61.6141 29.3307 176.4453 17 V 3.1621 7.1665 113.9711 63.7035 30.7757 177.9622 18 E 3.9039 7.6772 118.4447 58.5332 29.4771 178.2885 19 V 4.1447 7.0762 115.8197 60.8138 32.3058 175.4531 20 C 4.3734 7.4668 121.4318 58.3042 31.8437 171.5704 21 P 4.3791 0.0000 0.0000 65.1802 31.3050 177.3804 22 V 4.1017 7.7657 109.2150 60.1653 32.2035 175.0177 23 D 4.4148 7.9407 118.7254 55.7690 38.2129 173.2652 24 C 4.9976 7.7770 108.3576 57.6106 31.6576 173.4223 25 F 5.0890 8.0333 118.1507 57.1081 40.6310 174.3969 26 Y 5.0683 9.2857 120.1196 56.1259 41.9109 173.9408 27 E 4.6544 9.4570 123.9727 54.4311 31.5750 175.8126 28 G 2.3517 7.8775 115.6898 42.0900 0.0000 171.4659 29 P 4.2710 0.0000 0.0000 65.3622 31.3083 177.8513 30 N 4.9941 7.7709 112.5837 52.0292 38.1939 173.0281 31 F 5.2742 7.7129 119.0788 58.2101 42.3601 172.0851 32 L 5.3372 7.3267 122.0888 53.0162 45.4123 176.3929 33 V 4.6226 9.0087 113.6279 59.7500 36.2209 174.4383 34 I 4.4326 8.3020 123.3682 59.6299 38.9639 175.1584 35 H 4.3389 9.3550 128.4471 55.2782 29.9022 174.3848 36 P 4.3934 0.0000 0.0000 65.3960 31.3271 177.0223 37 D 4.6194 8.2199 117.0488 55.2369 41.0453 176.6445 38 E 4.4311 8.0769 118.1458 56.9326 31.0435 175.9290 39 C 4.2899 8.1110 119.0705 59.7301 31.8901 172.8083 40 I 4.3255 8.4552 118.8686 59.9843 36.8373 175.2128 41 D 4.8584 8.2203 118.8085 55.8257 38.2519 175.4173 42 C 4.0126 7.4729 114.3807 59.1593 29.6042 174.6300 43 A 2.7721 6.8520 122.4638 52.4348 16.3867 179.0702 44 L 4.2169 7.0743 119.1749 58.1060 42.2905 178.5682 45 C 4.3114 7.8969 113.9184 60.7988 29.1310 175.6455 46 E 4.0441 7.7086 119.1427 58.4046 29.4569 177.3490 47 P 4.5234 0.0000 0.0000 65.2408 31.6647 177.4474 48 E 3.9650 7.9785 117.3164 59.0317 29.7947 176.9114 49 C 4.0426 7.5433 120.3990 58.9731 31.7462 172.2188 50 P 4.1864 0.0000 0.0000 65.7509 30.9965 177.4595 51 A 4.3260 8.0055 117.3911 52.4258 18.6053 176.6806 52 Q 3.2119 7.4307 113.4530 56.7824 27.0389 174.4051 53 A 4.5699 7.8155 117.6162 52.6501 20.5493 178.0307 54 I 4.9375 7.5139 115.9863 60.3047 38.8282 175.2910 55 F 4.7927 9.0747 122.9575 55.5223 43.9754 174.3883 56 S 2.7900 8.3975 115.4847 57.4999 63.2489 174.4294 57 E 3.8754 8.5796 128.3157 59.5260 29.2461 178.9530 58 D 4.5326 7.9591 114.7205 54.9760 39.6474 176.2447 59 E 4.5085 7.7732 118.1851 55.6977 30.3060 176.0902 60 V 3.0950 7.3887 119.5496 62.2274 31.9186 174.1270 61 P 4.1275 0.0000 0.0000 62.6715 32.0492 176.5878 62 E 3.8493 8.9629 122.8525 59.6002 29.4934 178.3313 63 D 4.7734 8.0108 113.4517 54.4789 39.5669 175.9620 64 M 5.1017 8.2973 118.6450 55.0016 33.5495 177.2888 65 Q 4.0652 8.1035 121.4990 59.1863 28.6671 178.4382 66 E 3.8308 8.3766 119.1164 59.6968 29.3661 179.2078 67 F 4.2549 8.3611 117.0481 59.7215 38.8967 177.8832 68 I 3.7725 8.0511 120.4382 64.5722 37.0045 178.1293 69 Q 4.0021 7.9850 119.7991 58.8009 28.9395 177.6174 70 L 3.8939 7.8718 120.3252 57.7815 41.6426 179.2645 71 N 4.3500 8.4416 116.0215 56.2198 38.3269 177.0026 72 A 3.8861 7.4504 120.2090 55.3777 18.7431 179.3427 73 E 3.9102 8.0882 116.5507 59.6909 29.6522 179.7839 74 L 3.4953 7.8089 118.4387 57.0433 41.2202 179.1795 75 A 3.8084 7.5481 120.3545 55.2222 18.1998 179.2104 76 E 3.9075 7.6428 115.7443 58.5212 29.6171 178.2317 77 V 4.2352 7.4019 109.6681 60.8410 33.1343 175.7715 78 W 5.1908 7.8123 119.2843 54.2509 31.1201 173.9373 79 P 4.7284 0.0000 0.0000 62.6967 32.2878 175.0564 80 N 4.4053 8.9182 121.0234 53.5846 39.6913 173.6316 81 I 4.6364 8.0291 126.3413 59.5131 39.8301 175.1487 82 T 4.5746 8.6537 116.0969 60.7062 70.2028 173.3590 83 E 4.6100 7.7810 121.2974 53.8532 32.6079 175.5432 84 K 3.9090 8.5474 124.3521 56.6140 32.7316 175.4783 85 K 4.6714 8.4408 123.2058 54.7198 35.9472 175.5414 86 D 4.3879 8.4417 118.6101 53.7868 41.0353 175.0827 87 P 5.0271 0.0000 0.0000 61.5199 32.3869 176.1088 88 L 4.2321 8.3842 119.3479 54.0555 42.0641 176.8663 89 P 4.3091 0.0000 0.0000 65.4005 31.5466 177.1595 90 D 5.0422 7.9223 116.7806 53.6270 41.5203 178.2236 91 A 4.2805 8.3768 124.6742 55.5521 18.3693 180.4949 92 E 4.2831 8.0989 110.2223 57.8957 30.2157 177.6962 93 D 4.3577 8.2027 120.3315 57.2857 40.6272 177.3309 94 W 4.4219 8.0389 116.0664 56.8392 29.3541 175.1812 95 D 4.9543 7.9146 119.5404 55.6954 40.6192 176.0251 96 G 4.0927 9.0921 115.5078 45.2060 0.0000 173.4409 97 V 3.9234 7.0996 119.4943 62.2819 32.2521 175.1963 98 K 4.6518 8.7528 125.2141 56.0471 34.4224 176.2348 99 G 4.0629 9.1220 109.4776 46.0310 0.0000 175.0273 100 K 4.2604 8.8410 118.5503 56.6553 32.7033 178.8517 101 L 4.0187 8.1656 122.1426 58.0092 42.0526 179.0501 102 Q 3.9394 7.5583 115.3268 58.7103 28.5395 176.6427 103 H 4.7100 8.0962 114.6593 55.1143 28.8799 174.5699 104 L 4.2208 7.8362 123.1732 54.9624 42.2939 175.9406 105 E 4.7170 8.9262 125.7346 54.6315 31.6183 176.0908 106 R 4.7675 8.6754 121.9430 56.6775 30.2080 175.7690 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 A 8.12 4.59 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 2 F 8.88 4.79 0.00 2.94 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 3 V 9.01 4.54 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 1.13 0.00 0.00 0.98 0.00 0.00 4 V 8.93 4.59 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 0.93 0.00 0.00 1.01 0.00 0.00 5 T 8.59 4.04 3.74 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 1.28 0.00 0.00 6 D 7.83 4.13 0.00 2.49 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 7 N 8.00 4.62 0.00 2.77 2.98 0.00 0.00 6.91 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 8 C 8.13 4.37 0.00 3.13 3.33 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 9 I 7.59 4.23 1.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.69 0.92 0.00 0.00 10 K 8.85 3.77 0.00 1.55 1.28 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.51 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.91 0.82 7.81 11 C 8.39 4.37 0.00 3.16 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 12 K 7.95 3.63 0.00 1.88 1.67 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.39 7.81 *14 T 8.22 4.21 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 1.18 0.00 0.00 15 D 7.93 4.31 0.00 2.64 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 16 C 7.93 3.90 0.00 2.85 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 17 V 7.17 3.16 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 0.39 0.00 0.00 0.80 0.00 0.00 18 E 7.68 3.90 0.00 1.91 1.98 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 2.27 2.32 0.00 19 V 7.08 4.14 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 0.76 0.00 0.00 0.89 0.00 0.00 20 C 7.47 4.37 0.00 3.24 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 21 P 0.00 4.38 0.00 2.21 2.15 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 22 V 7.77 4.10 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 0.75 0.00 0.00 0.99 0.00 0.00 23 D 7.94 4.41 0.00 2.78 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 24 C 7.78 5.00 0.00 3.09 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 25 F 8.03 5.09 0.00 2.93 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 26 Y 9.29 5.07 0.00 3.18 3.14 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 27 E 9.46 4.65 0.00 1.85 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 0.00 1.98 2.06 0.00 28 G 7.88 2.35 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 0.00 29 P 0.00 4.27 0.00 1.99 2.09 0.00 3.61 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 30 N 7.77 4.99 0.00 2.74 2.87 0.00 0.00 5.66 8.12 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 31 F 7.71 5.27 0.00 3.09 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 32 L 7.33 5.34 0.00 1.45 1.62 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 33 V 9.01 4.62 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 0.90 0.00 0.00 1.26 0.00 0.00 34 I 8.30 4.43 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 -0.07 0.79 0.00 0.00 35 H 9.35 4.34 0.00 3.33 3.29 0.00 5.59 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.39 0.00 2.23 2.19 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 37 D 8.22 4.62 0.00 2.63 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 38 E 8.08 4.43 0.00 2.08 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 0.00 2.18 2.03 0.00 39 C 8.11 4.29 0.00 2.93 2.89 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 40 I 8.46 4.33 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 1.41 0.71 0.92 0.00 0.00 41 D 8.22 4.86 0.00 2.93 2.94 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 42 C 7.47 4.01 0.00 3.04 3.14 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 43 A 6.85 2.77 1.48 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 44 L 7.07 4.22 0.00 1.39 1.67 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.90 4.31 0.00 3.29 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 46 E 7.71 4.04 0.00 2.37 2.39 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 2.52 2.33 0.00 47 P 0.00 4.52 0.00 2.04 2.14 0.00 3.89 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 48 E 7.98 3.97 0.00 2.14 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 2.44 2.33 0.00 49 C 7.54 4.04 0.00 3.13 2.81 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 50 P 0.00 4.19 0.00 2.08 2.10 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 51 A 8.01 4.33 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.43 3.21 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 53 A 7.82 4.57 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 54 I 7.51 4.94 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.72 1.24 0.00 0.00 55 F 9.07 4.79 0.00 2.97 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 56 S 8.40 2.79 0.00 3.34 3.52 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 57 E 8.58 3.88 0.00 2.27 1.84 0.00 0.00 0.00 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 2.27 0.00 58 D 7.96 4.53 0.00 2.80 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 59 E 7.77 4.51 0.00 2.15 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 2.25 2.19 0.00 60 V 7.39 3.09 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 0.71 0.00 0.00 1.04 0.00 0.00 61 P 0.00 4.13 0.00 2.01 1.81 0.00 3.05 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 1.54 1.48 0.00 62 E 8.96 3.85 0.00 1.92 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 2.36 2.24 0.00 63 D 8.01 4.77 0.00 2.84 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 64 M 8.30 5.10 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 65 Q 8.10 4.07 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.11 6.70 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 66 E 8.38 3.83 0.00 1.59 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 2.23 2.39 0.00 67 F 8.36 4.25 0.00 3.33 3.40 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 68 I 8.05 3.77 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 1.44 1.10 0.92 0.00 0.00 69 Q 7.99 4.00 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 70 L 7.87 3.89 0.00 1.95 1.77 0.54 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.44 4.35 0.00 3.08 3.05 0.00 0.00 6.89 6.90 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 72 A 7.45 3.89 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 73 E 8.09 3.91 0.00 1.84 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 0.00 2.42 2.39 0.00 74 L 7.81 3.50 0.00 1.25 0.13 0.51 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.55 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 7.64 3.91 0.00 1.97 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 2.36 2.38 0.00 77 V 7.40 4.24 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 0.63 0.00 0.00 0.68 0.00 0.00 78 W 7.81 5.19 0.00 3.55 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 P 0.00 4.73 0.00 2.16 2.25 0.00 3.92 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.96 0.00 80 N 8.92 4.41 0.00 2.79 2.75 0.00 0.00 6.78 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 81 I 8.03 4.64 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.99 0.91 0.00 0.00 82 T 8.65 4.57 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 1.22 0.00 0.00 83 E 7.78 4.61 0.00 1.88 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 2.15 2.21 0.00 84 K 8.55 3.91 0.00 1.63 1.66 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.46 7.81 85 K 8.44 4.67 0.00 1.78 1.67 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.34 7.81 86 D 8.44 4.39 0.00 2.67 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 87 P 0.00 5.03 0.00 2.04 2.01 0.00 3.72 0.00 0.00 4.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 88 L 8.38 4.23 0.00 1.81 1.57 0.87 1.02 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 89 P 0.00 4.31 0.00 2.07 2.15 0.00 3.63 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 2.04 2.13 0.00 90 D 7.92 5.04 0.00 2.92 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 91 A 8.38 4.28 1.45 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 0.00 0.00 92 E 8.10 4.28 0.00 2.09 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 2.28 2.41 0.00 93 D 8.20 4.36 0.00 2.94 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 94 W 8.04 4.42 0.00 3.43 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 95 D 7.91 4.95 0.00 2.69 2.65 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 0.00 0.00 0.00 0.00 96 G 9.09 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 0.00 0.00 0.00 97 V 7.10 3.92 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 1.04 0.00 0.00 0.85 0.00 0.00 98 K 8.75 4.65 0.00 1.80 1.73 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 99 G 9.12 4.06 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 0.00 0.00 0.00 100 K 8.84 4.26 0.00 2.02 1.90 0.00 1.93 0.00 0.00 2.11 0.00 0.00 3.28 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.78 1.57 7.81 101 L 8.17 4.02 0.00 2.05 1.70 0.58 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.56 3.94 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.87 0.00 0.00 0.00 0.00 0.00 2.46 1.99 0.00 103 H 8.10 4.71 0.00 3.05 3.14 0.00 5.85 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.84 4.22 0.00 1.50 1.62 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.93 4.72 0.00 2.02 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 2.25 2.39 0.00 106 R 8.68 4.77 0.00 1.90 1.93 0.00 3.31 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.67 0.00 * Residues marked with a * may have inaccurate shift predictions.