NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2583 8.3344 116.7855 58.5543 65.1252 173.7829 -7 D 5.2244 7.5820 123.3273 52.0483 40.9039 174.2219 -6 P 4.0109 0.0000 0.0000 65.5643 32.2656 177.6027 -5 S 5.1015 8.1102 111.4706 58.1464 62.7364 174.4294 -4 S 4.7375 8.3277 115.6750 58.4154 64.4982 176.0742 -3 I 4.2926 7.8436 122.4458 63.1511 37.6236 177.6793 -2 N 5.0164 7.5508 115.8480 52.2172 39.6138 176.4348 -1 G 4.1475 7.8790 105.2922 44.8471 0.0000 172.2560 -7 G 4.5444 7.5720 111.7273 42.9483 0.0000 172.8219 -6 I 3.7609 9.3183 128.4590 63.3643 38.9656 176.7027 -5 V 4.7515 7.8302 114.9706 62.0464 31.8364 176.1294 -4 V 4.3875 8.0477 119.1750 62.3154 33.5982 177.7742 -3 A 4.4426 8.0836 126.3458 54.5511 17.9236 179.0793 -2 M 4.7564 7.4308 116.7480 54.5172 33.6138 177.5348 -1 T 4.5375 7.6990 110.0922 61.5471 67.9872 172.0560 8 G 3.9728 8.6959 110.8400 44.1701 0.0000 171.2676 9 K 4.0105 8.5955 120.6018 57.4435 31.7445 175.8454 10 D 4.4850 8.8048 126.3218 54.5993 38.6955 173.0592 11 C 4.7264 7.6188 111.0185 57.5072 32.7170 172.6380 12 V 4.9684 7.8459 111.7866 59.8855 35.3154 174.5778 13 A 4.7124 8.4039 123.3341 50.2842 22.2883 175.3442 14 I 5.2371 8.0973 119.3086 59.5082 41.0420 173.9937 15 A 4.9732 8.4942 129.4328 50.7539 22.5433 174.2377 16 C 5.2886 8.2681 112.2280 57.3821 32.5539 173.3960 17 D 4.7726 8.5224 120.3354 52.7861 41.2949 175.7188 18 L 5.0734 8.2399 114.6086 53.4779 43.5897 176.8943 19 R 4.6575 8.0709 119.5953 56.4753 31.3691 176.0675 20 L 4.2761 8.6858 126.3418 54.2651 44.9679 174.5471 21 G 4.4997 8.5861 113.1193 44.4781 0.0000 171.9479 22 S 4.6380 8.8958 113.7213 56.8075 63.3175 175.3128 23 Q 3.4214 8.0276 129.0345 56.7580 27.2746 177.2518 24 S 4.2006 8.8771 122.9026 60.5680 63.4425 173.4104 25 L 4.2741 8.0118 125.1891 53.5738 42.0363 175.8588 26 G 3.9429 8.6080 116.0958 45.5765 0.0000 172.4275 27 V 4.1985 8.4317 122.5919 63.5979 33.9128 175.7243 28 S 4.6822 8.3449 113.0758 56.7149 65.3387 173.3535 29 N 5.1988 8.8723 122.6562 52.6711 37.3350 174.4698 30 K 4.6071 7.9979 116.1038 56.7384 33.5381 176.9137 31 F 4.6004 8.5832 125.5142 56.9843 38.8776 173.8988 32 E 4.0400 8.1700 123.6617 55.6214 30.2782 176.5467 33 K 4.2374 8.3831 121.0864 55.9804 33.9325 175.0212 34 I 4.6757 6.9440 120.9656 59.4740 39.3061 174.8331 35 F 4.9886 9.3537 124.5914 56.0029 43.9231 173.2849 36 H 4.9400 7.4370 113.6303 53.6691 31.9315 172.4747 *38 Y 4.6983 7.9592 116.9028 58.6733 38.9924 175.3201 39 G 3.9180 8.1428 117.0732 47.3493 0.0000 172.8883 40 H 4.7194 8.9151 120.6885 55.0018 28.9030 174.2924 41 V 4.2843 7.3923 121.3452 61.7025 33.2006 174.4499 42 F 5.0176 9.4223 126.8063 55.6149 41.8177 174.4214 43 L 5.2301 9.6329 125.6841 53.4353 44.8877 175.1549 44 G 4.5388 9.4920 114.2196 44.8496 0.0000 172.3043 45 I 5.1737 8.8494 124.0766 59.7394 40.8630 175.1231 46 T 4.4856 8.3261 116.9319 60.0140 71.7713 172.1592 47 G 4.1178 8.7833 104.9660 43.9264 0.0000 173.2373 48 L 4.1542 8.9606 124.2172 54.8855 42.6321 178.2722 49 A 4.1617 9.9195 128.7804 55.9549 18.2000 178.9957 50 T 3.8422 7.9869 110.7337 65.5217 67.4199 175.7905 51 D 4.4661 8.1787 120.3292 56.8992 41.0205 178.7115 52 V 3.6910 7.8946 119.0901 66.3080 31.5946 178.3066 53 T 3.8508 8.2767 115.5250 66.8755 68.2525 176.8987 54 T 3.7637 7.9204 117.5494 66.6673 68.4126 176.6826 55 L 3.3696 8.1019 121.0960 57.4671 41.5440 179.1400 56 N 4.3548 7.7113 118.1846 56.2564 38.7919 176.8156 57 E 3.9526 8.0644 119.9091 59.4023 29.3680 179.1512 58 M 3.7151 7.9348 118.6191 58.6967 32.2282 178.4499 59 F 4.3178 7.8916 117.9910 60.0387 38.9591 177.8767 60 R 3.8066 8.0733 118.8337 59.4541 29.8421 177.6609 61 Y 4.0571 7.9441 119.3587 60.9470 38.7360 178.5156 62 K 4.2714 8.5949 119.8309 59.6988 32.2106 179.5319 63 T 4.0292 8.3352 110.1939 64.4022 68.8339 176.6919 64 N 4.3694 8.2825 119.8726 56.3121 38.6854 177.3437 65 L 4.0214 7.8060 120.3139 57.7080 41.6903 178.7441 66 Y 4.0257 8.3008 119.6906 60.7758 38.7133 178.3268 67 K 4.4484 8.2349 121.7576 59.0848 32.0813 178.8061 68 L 4.0039 7.7568 118.0060 57.0087 41.5137 178.9634 69 K 4.2105 7.5799 117.1513 58.7935 32.7799 178.7067 70 E 3.8799 8.2856 117.5265 56.8630 29.3518 177.0153 71 E 3.9034 8.5863 116.9449 56.5957 27.4760 174.0993 72 R 4.5616 7.3962 111.5829 55.0666 31.9557 173.7551 73 A 4.3298 8.4029 122.2862 51.5743 19.2983 177.6375 74 I 3.7990 8.1281 121.0738 61.0212 38.4510 175.9727 75 E 4.5948 8.2895 124.9357 54.1907 32.5913 175.7021 76 P 4.3567 0.0000 0.0000 66.0041 31.2336 178.7870 77 E 3.9861 8.1895 116.6072 59.8198 29.4773 179.5112 78 T 3.8906 7.8406 115.0382 66.6674 68.6610 176.2998 79 F 4.0704 8.4944 122.9075 61.6282 39.2321 177.1626 80 T 3.6983 8.0565 115.2839 66.7530 68.1566 176.5826 81 Q 3.9016 7.6547 119.8510 58.7168 28.7093 178.4944 82 L 3.8624 7.7084 121.4392 57.9282 42.0999 179.2275 83 V 3.2832 7.5538 118.4907 65.8178 31.4394 177.7142 84 S 4.0854 8.0190 113.2522 61.6864 62.2158 176.4793 85 S 4.2676 8.2903 116.6880 61.3377 62.5658 176.5437 86 S 4.1998 7.9810 118.4207 61.3364 62.8650 176.2503 87 L 4.2477 8.1835 121.8496 58.0051 41.4251 178.8978 88 Y 3.9013 8.2047 119.3134 60.2512 38.4626 177.3597 89 E 4.0231 7.9817 119.0005 57.9296 29.8064 177.1632 90 R 4.4193 7.4841 118.0983 55.7656 31.0015 177.9991 91 R 3.1787 7.1820 120.7631 59.1370 29.7649 177.0772 92 F 4.8692 7.3113 112.6617 56.8101 39.6776 176.8055 93 G 4.0947 7.5002 105.1734 44.3389 0.0000 172.1031 94 P 4.0772 0.0000 0.0000 62.3980 32.6391 176.2156 95 Y 4.1888 7.7934 117.1511 57.8839 38.8675 176.8471 96 F 4.7750 9.1145 125.1172 56.4367 37.5294 174.6613 97 V 5.0835 7.8168 113.9682 59.6880 36.4501 176.2048 98 G 4.1916 8.9326 108.3722 43.7691 0.0000 170.4804 99 P 4.8993 0.0000 0.0000 63.0052 33.0612 175.8517 100 V 4.4612 8.9872 121.7405 61.5704 34.9657 173.7979 101 V 5.0999 8.6131 127.2393 61.3309 33.7585 174.5188 102 A 4.7468 9.1545 128.0343 49.8921 22.8686 175.5550 103 G 4.2707 7.7962 108.0257 46.7151 0.0000 171.7928 104 I 4.6407 8.1273 120.1350 58.9449 39.7273 175.6824 105 N 4.9645 8.7563 121.4711 53.4744 38.7722 174.3667 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 -8 S 8.33 4.26 0.00 3.84 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 -7 D 7.58 5.22 0.00 2.75 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 -6 P 0.00 4.01 0.00 1.22 1.38 0.00 3.28 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 0.64 1.56 0.00 -5 S 8.11 5.10 0.00 4.03 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 -4 S 8.33 4.74 0.00 3.90 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 -3 I 7.84 4.29 1.84 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 1.47 1.16 0.88 0.00 0.00 -2 N 7.55 5.02 0.00 2.75 2.73 0.00 0.00 7.58 7.58 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 -1 G 7.88 4.15 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 0.00 0.00 0.00 -7 G 7.57 4.54 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 0.00 0.00 0.00 -6 I 9.32 3.76 1.87 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 0.61 0.91 0.00 0.00 -5 V 7.83 4.75 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 1.05 0.00 0.00 0.93 0.00 0.00 -4 V 8.05 4.39 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 1.03 0.00 0.00 0.93 0.00 0.00 -3 A 8.08 4.44 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 -2 M 7.43 4.76 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 -1 T 7.70 4.54 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 8 G 8.70 3.97 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 0.00 0.00 0.00 9 K 8.60 4.01 0.00 1.70 1.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.52 7.81 10 D 8.80 4.48 0.00 2.82 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 11 C 7.62 4.73 0.00 2.97 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 12 V 7.85 4.97 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 0.68 0.00 0.00 0.88 0.00 0.00 13 A 8.40 4.71 1.10 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 0.00 0.00 0.00 14 I 8.10 5.24 1.82 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 1.27 1.08 0.77 0.00 0.00 15 A 8.49 4.97 1.15 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 0.00 0.00 16 C 8.27 5.29 0.00 3.07 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 17 D 8.52 4.77 0.00 2.73 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 18 L 8.24 5.07 0.00 1.61 1.80 0.99 0.98 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 19 R 8.07 4.66 0.00 1.85 1.99 0.00 3.24 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 20 L 8.69 4.28 0.00 1.52 1.38 0.76 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.59 4.50 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 0.00 22 S 8.90 4.64 0.00 3.74 3.69 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 23 Q 8.03 3.42 0.00 2.23 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 24 S 8.88 4.20 0.00 3.97 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 25 L 8.01 4.27 0.00 1.75 1.74 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.61 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 27 V 8.43 4.20 2.21 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 0.81 0.00 0.00 0.98 0.00 0.00 28 S 8.34 4.68 0.00 3.86 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.87 5.20 0.00 2.86 2.87 0.00 0.00 5.89 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 30 K 8.00 4.61 0.00 1.70 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.58 4.60 0.00 3.18 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 32 E 8.17 4.04 0.00 1.58 1.61 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 2.22 2.23 0.00 33 K 8.38 4.24 0.00 1.63 2.00 0.00 1.76 0.00 0.00 1.94 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.56 7.81 34 I 6.94 4.68 1.71 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 1.21 0.78 1.00 0.00 0.00 35 F 9.35 4.99 0.00 2.71 2.61 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 36 H 7.44 4.94 0.00 1.90 1.71 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.96 4.70 0.00 2.70 2.84 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 0.00 0.00 0.00 39 G 8.14 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 0.00 0.00 0.00 40 H 8.92 4.72 0.00 3.35 3.41 0.00 5.51 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 41 V 7.39 4.28 1.76 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 0.76 0.00 0.00 0.68 0.00 0.00 42 F 9.42 5.02 0.00 3.12 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 43 L 9.63 5.23 0.00 2.02 1.80 1.18 1.41 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 44 G 9.49 4.54 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 0.00 0.00 0.00 45 I 8.85 5.17 2.14 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.08 1.05 0.00 0.00 46 T 8.33 4.49 4.32 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 1.29 0.00 0.00 47 G 8.78 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 48 L 8.96 4.15 0.00 1.98 1.76 0.98 1.68 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 49 A 9.92 4.16 1.11 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 0.00 0.00 50 T 7.99 3.84 4.28 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 1.29 0.00 0.00 51 D 8.18 4.47 0.00 3.08 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 52 V 7.89 3.69 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 1.40 0.00 0.00 1.24 0.00 0.00 53 T 8.28 3.85 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 1.26 0.00 0.00 54 T 7.92 3.76 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 1.07 0.00 0.00 55 L 8.10 3.37 0.00 1.57 1.62 0.87 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.71 4.35 0.00 1.51 2.42 0.00 0.00 6.83 7.67 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 57 E 8.06 3.95 0.00 2.11 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 0.00 2.31 2.38 0.00 58 M 7.93 3.72 0.00 1.46 1.62 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 59 F 7.89 4.32 0.00 2.90 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.07 3.81 0.00 2.18 2.15 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 61 Y 7.94 4.06 0.00 3.15 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 62 K 8.59 4.27 0.00 1.97 1.97 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.54 1.59 7.81 63 T 8.34 4.03 4.19 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 0.99 0.00 0.00 64 N 8.28 4.37 0.00 2.95 2.87 0.00 0.00 6.86 6.10 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 65 L 7.81 4.02 0.00 1.88 1.76 1.01 1.05 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 Y 8.30 4.03 0.00 3.18 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 67 K 8.23 4.45 0.00 2.15 1.97 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.58 7.81 68 L 7.76 4.00 0.00 1.84 1.70 0.89 0.70 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 69 K 7.58 4.21 0.00 1.62 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.61 7.81 70 E 8.29 3.88 0.00 1.55 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 1.58 1.47 0.00 71 E 8.59 3.90 0.00 2.10 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 0.00 2.21 2.35 0.00 72 R 7.40 4.56 0.00 2.00 2.00 0.00 3.03 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 73 A 8.40 4.33 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 74 I 8.13 3.80 1.10 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.24 0.66 0.00 0.00 75 E 8.29 4.59 0.00 2.05 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 2.42 2.39 0.00 76 P 0.00 4.36 0.00 2.19 2.15 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 77 E 8.19 3.99 0.00 2.08 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 0.00 2.42 2.49 0.00 78 T 7.84 3.89 4.33 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 1.22 0.00 0.00 79 F 8.49 4.07 0.00 2.99 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 80 T 8.06 3.70 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 1.16 0.00 0.00 81 Q 7.65 3.90 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 82 L 7.71 3.86 0.00 1.67 1.50 0.97 0.74 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 83 V 7.55 3.28 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 0.80 0.00 0.00 -0.50 0.00 0.00 84 S 8.02 4.09 0.00 3.95 3.95 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 85 S 8.29 4.27 0.00 4.11 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 0.00 86 S 7.98 4.20 0.00 4.23 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 87 L 8.18 4.25 0.00 1.93 1.77 0.98 0.67 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 88 Y 8.20 3.90 0.00 3.16 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 89 E 7.98 4.02 0.00 2.17 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 0.00 2.28 2.34 0.00 90 R 7.48 4.42 0.00 1.74 1.68 0.00 2.94 0.00 0.00 2.84 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.19 0.00 91 R 7.18 3.18 0.00 0.67 1.02 0.00 2.68 0.00 0.00 2.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.31 4.87 0.00 3.00 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 93 G 7.50 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 94 P 0.00 4.08 0.00 1.87 1.81 0.00 3.55 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.80 0.00 95 Y 7.79 4.19 0.00 2.91 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 96 F 9.11 4.78 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 97 V 7.82 5.08 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 0.81 0.00 0.00 1.07 0.00 0.00 98 G 8.93 4.19 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 0.00 0.00 0.00 99 P 0.00 4.90 0.00 1.98 2.08 0.00 3.70 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 2.10 2.18 0.00 100 V 8.99 4.46 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 0.85 0.00 0.00 0.98 0.00 0.00 101 V 8.61 5.10 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 1.00 0.00 0.00 1.06 0.00 0.00 102 A 9.15 4.75 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 0.00 103 G 7.80 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 0.00 0.00 0.00 0.00 104 I 8.13 4.64 1.91 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 1.31 0.74 0.92 0.00 0.00 105 N 8.76 4.96 0.00 2.84 2.73 0.00 0.00 7.19 7.56 0.00 0.00 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.