NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.4315 8.0427 122.5232 54.5072 43.1908 179.1093 14 V 4.2699 8.5641 111.9603 60.1846 34.2867 167.9928 15 V 4.0177 8.6770 127.2286 62.7592 32.2911 174.7743 16 T 4.1674 8.3992 121.8912 62.9874 68.3960 174.4545 17 D 4.0775 7.4983 120.9046 53.5749 41.7139 174.3859 18 P 4.1687 0.0000 0.0000 65.6201 31.3317 178.3664 19 L 3.8665 7.6462 118.4241 58.4122 42.0342 179.0159 20 T 3.7585 7.8108 115.6319 66.6012 68.4631 176.6674 21 R 3.8216 8.2554 120.9893 59.6232 29.8090 178.7790 22 T 3.8745 7.7761 114.5682 66.8871 68.6476 175.9304 23 E 4.0968 8.2552 118.8952 58.6748 30.0015 177.5788 24 C 4.5838 8.4426 115.2391 59.5253 28.4558 174.5880 25 S 5.4597 7.6357 111.7002 57.3158 62.8735 175.1112 26 A 4.1448 7.8942 125.3550 55.0400 18.2260 178.3985 27 C 4.7791 7.3813 109.2400 59.1216 30.3171 172.5932 28 H 4.5022 7.2757 114.4865 54.8343 30.2039 173.0258 29 M 4.1683 8.3713 116.7110 54.9573 31.3609 176.2415 30 A 4.3651 8.0807 122.8472 50.9200 18.0683 177.1346 31 Y 4.5324 8.2591 120.6247 57.9636 38.8208 174.9385 32 P 4.5157 0.0000 0.0000 62.4092 32.3258 177.1569 33 A 3.9270 8.9340 124.6317 55.4173 18.3271 179.5885 34 A 4.3709 8.0763 116.6967 54.4592 18.5859 178.3134 35 L 4.4198 8.1047 115.1440 56.1494 42.3435 177.0457 36 L 4.6999 7.7780 117.7318 51.6031 45.3049 174.2364 37 P 4.8275 0.0000 0.0000 62.1616 32.4782 177.0731 38 A 4.2039 9.5661 122.4435 55.7305 18.1921 180.5246 39 R 3.8993 8.0201 113.7640 59.3986 29.3488 179.2524 40 S 4.0074 7.9523 115.8463 61.2172 62.7826 176.4660 41 W 4.5628 7.9088 121.1225 60.2708 28.9598 178.5264 42 T 4.1717 8.6535 116.8759 65.9997 67.6593 176.5473 43 A 4.0054 7.8479 121.5750 55.1653 18.8076 179.3811 44 L 4.1113 8.1780 117.5821 58.3692 41.5913 179.7201 45 M 4.2741 8.4479 116.8635 57.5639 31.9699 177.9173 46 A 4.3250 7.6721 119.3314 53.1510 19.6327 176.6830 47 D 4.7941 8.1280 117.7526 53.1615 41.7888 177.1537 48 L 4.0985 8.0844 120.2962 57.1874 42.3425 178.2634 49 P 4.5171 0.0000 0.0000 64.7130 31.9872 175.6775 50 N 5.0767 7.9209 114.2295 52.0677 38.7109 175.8014 51 H 4.3046 8.6316 119.4275 55.1306 29.5879 174.4127 52 F 3.9321 8.8150 128.5888 58.2254 36.4648 177.0872 53 G 4.0458 8.6695 107.7487 45.1666 0.0000 173.5610 54 E 4.6652 8.2646 119.0667 54.3507 32.5526 175.1156 55 D 5.0398 8.8229 120.3862 52.9193 40.2589 175.2949 56 A 4.6399 8.7556 129.1226 51.5360 19.2428 177.2714 57 S 4.3291 8.2927 112.9897 59.5191 63.4563 173.4924 58 L 4.8891 7.9306 120.5170 51.8382 45.7596 176.6837 59 D 4.5268 8.3364 119.8296 53.1994 41.2704 176.7790 60 E 3.8695 8.7992 121.9329 59.6352 29.6654 179.0589 61 A 3.9928 7.9913 120.0024 55.4217 18.3957 179.5820 62 S 4.0536 8.4339 113.5213 61.6151 62.8068 176.7648 63 R 3.9777 8.2355 121.6103 59.5915 29.7389 178.7971 64 G 3.6057 8.2374 105.3473 47.8698 0.0000 175.6806 65 Q 4.0175 8.2386 120.4284 58.7667 28.6603 179.0115 66 I 3.7147 7.9992 120.9811 64.2998 36.8822 177.9985 67 E 3.9083 8.4295 120.4549 59.4090 29.4217 178.7350 68 S 4.1649 8.3483 113.2995 61.5269 62.3829 175.5639 69 Y 4.0039 7.8757 121.6318 60.6472 38.3517 177.9718 70 L 3.3018 7.7524 118.6967 57.5072 41.7816 179.3684 71 V 3.7938 8.0216 118.2578 66.0753 31.3084 177.9984 72 A 4.1163 7.9825 118.9317 54.0288 18.1230 177.7779 73 N 4.7026 7.1817 112.4622 52.8467 39.3298 174.6994 74 A 4.9028 7.8951 121.6287 50.9649 19.2007 179.1687 75 A 4.1322 8.8517 123.5338 55.0298 18.3615 178.7066 76 D 4.8867 7.9643 112.5092 53.0056 39.7743 176.6473 77 S 4.3633 7.8607 116.6962 58.5689 63.8241 174.8023 78 S 4.1142 8.3929 117.9868 60.1216 62.3009 175.9634 79 G 3.8471 8.6495 111.7866 45.5118 0.0000 173.7531 *92 T 4.0094 7.4415 114.3290 62.2856 68.4056 171.6380 93 P 4.3255 0.0000 0.0000 62.7261 31.9099 176.8024 94 L 4.4395 8.2500 118.6571 54.7674 43.2486 176.7926 95 R 4.3742 7.3185 117.8149 53.7630 33.3628 176.2719 96 I 3.3131 7.8925 123.4349 64.3667 37.1397 178.0904 97 S 2.0000 7.0071 111.6689 58.9004 62.7357 174.1667 98 E 4.3018 6.9278 119.1485 56.0478 30.2157 176.8132 99 L 3.9871 7.2274 120.4529 53.5233 43.5385 175.7732 100 P 4.2312 0.0000 0.0000 65.8002 31.2995 179.0502 101 W 4.3157 8.1006 114.6951 59.4858 27.9955 177.9771 102 F 3.3670 7.0039 120.8691 60.7025 38.9601 177.0980 103 K 4.0367 8.0975 118.1780 59.4474 31.6323 179.3455 104 R 3.8880 7.8314 117.5832 59.4961 30.4768 178.4720 105 K 4.1391 8.3465 118.5084 59.7861 32.1008 179.0772 106 H 4.2312 8.2902 115.7823 57.9958 28.3815 177.5606 107 A 4.0359 7.6732 122.1615 55.2797 18.2238 179.0399 108 D 4.4556 7.6474 115.7365 56.4468 41.0374 177.1987 109 E 4.4317 7.9559 116.0132 55.7604 31.3598 175.6124 110 V 4.2733 7.5212 119.0583 60.5450 32.8850 176.0283 111 S 4.4220 8.4124 122.8778 57.3871 65.1396 173.0792 112 P 4.2695 0.0000 0.0000 66.2177 30.7826 178.6824 113 R 3.9006 7.9151 117.9826 59.3808 30.1217 178.0660 114 M 4.0522 8.3569 118.9485 58.2958 32.0468 178.5439 115 L 3.9527 7.9811 120.4300 58.0365 42.0845 178.3752 116 E 3.9296 8.0718 118.1622 59.5266 29.5960 178.7957 117 K 4.1369 8.0520 116.9045 59.3012 32.2566 178.9959 118 A 4.0605 8.0267 119.5250 53.0755 18.3644 178.9293 119 R 4.2829 8.5826 117.8214 57.0934 30.3203 176.7036 120 S 4.6135 7.2419 109.2179 57.1115 65.1104 174.8108 121 M 4.3440 8.5720 125.8766 57.7495 31.9582 177.9740 122 S 4.0956 7.8147 114.6692 60.9410 63.6959 174.6998 123 N 4.7802 7.9589 121.7613 51.8825 37.2599 174.8225 124 C 4.2913 8.3578 120.1506 62.8869 27.7435 176.4275 125 A 4.3124 8.1208 120.8842 54.1525 18.2921 179.0134 126 A 4.2641 8.1192 118.4477 54.3284 18.6269 178.1369 127 C 4.6025 7.6114 109.6436 60.0504 30.7855 173.5639 128 H 4.8193 8.4905 117.9408 53.9581 28.4410 175.4392 129 T 3.9230 8.5939 116.1906 63.8755 69.0640 175.5923 130 G 3.8785 7.9031 109.4946 45.0556 0.0000 174.8052 131 A 3.1165 8.0822 127.7551 55.5865 18.2408 181.5009 132 E 4.2442 8.2193 111.5141 58.8234 29.9087 180.1121 133 R 4.4093 7.7800 113.4837 56.2821 29.6820 182.1067 134 G 4.0599 8.3652 105.7219 46.5111 0.0000 173.4702 135 L 4.5520 7.5216 119.7274 52.6700 42.9281 176.7809 136 F 4.3815 8.6682 121.5402 57.5960 39.5674 175.0213 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 13 L 8.04 4.43 0.00 1.82 0.90 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.56 4.27 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 0.82 0.00 0.00 1.01 0.00 0.00 15 V 8.68 4.02 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 1.07 0.00 0.00 16 T 8.40 4.17 4.27 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 1.28 0.00 0.00 17 D 7.50 4.08 0.00 1.58 1.54 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 0.00 0.00 0.00 0.00 18 P 0.00 4.17 0.00 2.12 2.03 0.00 3.53 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 19 L 7.65 3.87 0.00 1.62 1.67 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.81 3.76 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 1.17 0.00 0.00 21 R 8.26 3.82 0.00 1.83 1.92 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 22 T 7.78 3.87 4.39 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 1.18 0.00 0.00 23 E 8.26 4.10 0.00 1.92 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 2.44 2.40 0.00 24 C 8.44 4.58 0.00 3.11 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 25 S 7.64 5.46 0.00 4.04 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 0.00 26 A 7.89 4.14 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 27 C 7.38 4.78 0.00 2.89 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 28 H 7.28 4.50 0.00 3.20 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 M 8.37 4.17 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 30 A 8.08 4.37 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 31 Y 8.26 4.53 0.00 3.39 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 32 P 0.00 4.52 0.00 2.39 2.15 0.00 4.00 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 33 A 8.93 3.93 1.04 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 0.00 0.00 34 A 8.08 4.37 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 35 L 8.10 4.42 0.00 2.10 1.84 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.78 4.70 0.00 0.27 0.72 -0.21 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.83 0.00 2.20 2.17 0.00 3.50 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 38 A 9.57 4.20 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 39 R 8.02 3.90 0.00 2.05 2.22 0.00 2.95 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 40 S 7.95 4.01 0.00 3.74 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 41 W 7.91 4.56 0.00 3.50 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 42 T 8.65 4.17 4.43 0.00 0.00 0.00 0.00 0.00 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 43 A 7.85 4.01 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 44 L 8.18 4.11 0.00 2.07 1.94 1.08 1.07 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 45 M 8.45 4.27 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 3.06 0.00 46 A 7.67 4.33 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 47 D 8.13 4.79 0.00 2.70 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 4.10 0.00 1.75 1.79 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.52 0.00 2.17 2.10 0.00 3.46 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 50 N 7.92 5.08 0.00 2.92 2.67 0.00 0.00 6.84 7.60 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 51 H 8.63 4.30 0.00 3.34 3.44 0.00 5.93 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.82 3.93 0.00 3.17 3.02 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 53 G 8.67 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 0.00 0.00 0.00 54 E 8.26 4.67 0.00 2.10 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 0.00 2.27 2.30 0.00 55 D 8.82 5.04 0.00 2.65 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 56 A 8.76 4.64 1.23 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 0.00 0.00 57 S 8.29 4.33 0.00 3.99 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 58 L 7.93 4.89 0.00 1.59 1.56 0.92 1.04 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 59 D 8.34 4.53 0.00 2.86 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 60 E 8.80 3.87 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 61 A 7.99 3.99 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 62 S 8.43 4.05 0.00 4.13 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 63 R 8.24 3.98 0.00 1.95 2.11 0.00 3.29 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 64 G 8.24 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.24 4.02 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 66 I 8.00 3.71 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.69 0.89 0.00 0.00 67 E 8.43 3.91 0.00 2.13 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 2.36 2.40 0.00 68 S 8.35 4.16 0.00 3.94 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 69 Y 7.88 4.00 0.00 3.07 3.03 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 70 L 7.75 3.30 0.00 1.43 0.42 0.53 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.02 3.79 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 1.04 0.00 0.00 1.07 0.00 0.00 72 A 7.98 4.12 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 73 N 7.18 4.70 0.00 2.18 2.55 0.00 0.00 6.96 8.42 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 74 A 7.90 4.90 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 0.00 0.00 0.00 0.00 0.00 75 A 8.85 4.13 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 76 D 7.96 4.89 0.00 2.80 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 77 S 7.86 4.36 0.00 4.09 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 78 S 8.39 4.11 0.00 3.65 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 79 G 8.65 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 *92 T 7.44 4.01 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 1.20 0.00 0.00 93 P 0.00 4.33 0.00 1.99 1.92 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 94 L 8.25 4.44 0.00 1.64 1.89 0.86 0.74 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 95 R 7.32 4.37 0.00 1.56 1.37 0.00 2.99 0.00 0.00 3.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.59 0.00 96 I 7.89 3.31 1.33 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.42 0.72 0.00 0.00 97 S 7.01 2.00 0.00 3.22 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 98 E 6.93 4.30 0.00 1.91 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 2.01 2.25 0.00 99 L 7.23 3.99 0.00 1.05 1.21 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.23 0.00 2.20 2.13 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 101 W 8.10 4.32 0.00 3.52 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 0.00 102 F 7.00 3.37 0.00 1.66 2.59 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 0.00 103 K 8.10 4.04 0.00 1.94 1.85 0.00 1.73 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.55 7.81 104 R 7.83 3.89 0.00 1.91 2.26 0.00 3.29 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 105 K 8.35 4.14 0.00 1.89 1.80 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.82 1.77 7.81 106 H 8.29 4.23 0.00 3.17 3.24 0.00 5.82 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 0.00 107 A 7.67 4.04 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 0.00 108 D 7.65 4.46 0.00 2.94 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.96 4.43 0.00 1.87 1.94 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 2.27 2.15 0.00 110 V 7.52 4.27 2.22 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 0.84 0.00 0.00 0.98 0.00 0.00 111 S 8.41 4.42 0.00 4.09 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 0.00 112 P 0.00 4.27 0.00 2.28 2.36 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 113 R 7.92 3.90 0.00 2.00 1.96 0.00 3.30 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.28 0.00 114 M 8.36 4.05 0.00 2.09 2.25 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 2.63 2.56 0.00 115 L 7.98 3.95 0.00 1.79 1.82 0.93 0.91 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 0.00 116 E 8.07 3.93 0.00 2.34 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 2.33 2.24 0.00 117 K 8.05 4.14 0.00 2.04 1.86 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.47 1.32 7.81 118 A 8.03 4.06 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 0.00 119 R 8.58 4.28 0.00 2.31 2.14 0.00 3.31 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.42 0.00 120 S 7.24 4.61 0.00 3.79 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 0.00 121 M 8.57 4.34 0.00 2.21 2.07 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 2.71 2.54 0.00 122 S 7.81 4.10 0.00 3.83 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 0.00 123 N 7.96 4.78 0.00 2.86 2.89 0.00 0.00 7.02 6.99 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 0.00 124 C 8.36 4.29 0.00 3.35 3.44 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 0.00 125 A 8.12 4.31 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 0.00 126 A 8.12 4.26 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 127 C 7.61 4.60 0.00 2.89 2.87 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 0.00 128 H 8.49 4.82 0.00 3.36 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.59 3.92 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 1.21 0.00 0.00 130 G 7.90 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 0.00 131 A 8.08 3.12 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 0.00 132 E 8.22 4.24 0.00 2.00 1.89 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 2.23 1.88 0.00 133 R 7.78 4.41 0.00 1.81 1.83 0.00 3.30 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.00 134 G 8.37 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 0.00 135 L 7.52 4.55 0.00 1.61 1.53 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.67 4.38 0.00 2.93 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 * Residues marked with a * may have inaccurate shift predictions.