NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6002 8.2227 120.3154 53.4479 40.7286 176.0973 3 Q 3.6308 8.7579 125.2185 58.5650 29.4473 175.2932 4 E 3.9907 8.1863 120.3390 59.4178 30.0655 177.9766 5 T 4.0009 7.8561 108.8222 65.2627 68.8450 175.9118 6 V 3.7204 7.7657 120.7747 65.6783 31.1863 178.2241 7 G 3.6439 8.2619 105.5252 47.8193 0.0000 176.5048 8 N 5.6150 7.5522 115.2895 52.3857 38.0343 176.4600 9 V 4.5654 8.4346 110.9372 60.8488 38.1319 176.7345 10 V 3.6139 7.9296 119.7230 66.2057 31.0104 177.7768 11 L 3.9052 7.8601 117.6538 57.9271 41.5095 179.2166 12 L 3.3652 7.6863 117.8900 57.4801 41.3491 179.2629 13 A 4.2760 8.4963 120.7771 55.8068 18.3267 179.1299 14 I 3.6122 8.3682 118.4928 64.7613 37.1337 178.5846 15 V 3.5824 8.2381 119.5521 65.5724 31.0864 178.4747 16 T 3.9922 8.1274 117.9726 65.7760 68.3789 176.5235 17 L 4.0896 8.4582 121.0963 57.8955 41.5636 179.4201 18 I 3.7490 8.0139 120.3161 64.4073 37.1269 178.3800 19 S 4.2884 8.5197 115.3566 61.6728 62.3636 177.0634 20 V 3.6669 7.7179 122.0550 64.4739 31.4204 178.4781 21 V 3.7390 7.8390 119.1084 65.7716 31.5263 177.8180 22 Q 4.2303 8.5169 117.8680 59.7719 28.0827 178.3034 23 N 3.7592 8.3421 118.7452 55.8807 38.4644 177.6276 24 G 3.5980 8.2167 107.0683 47.5870 0.0000 175.3230 25 F 4.5037 8.4309 123.0295 61.4006 39.1721 176.7909 26 F 4.2283 9.0108 116.9287 60.8768 38.5729 177.6070 27 A 4.0496 7.7947 117.7527 54.3838 18.4188 178.6508 28 H 4.5030 8.4139 117.3599 58.9384 30.0422 177.1129 29 K 4.1673 8.5154 118.2328 58.2687 31.9842 178.5390 30 V 4.0911 7.4746 118.5846 64.9505 31.7491 177.3953 31 E 3.9135 8.1798 119.3789 59.2980 28.9572 178.3054 32 H 4.1955 8.1519 115.8997 59.1123 28.8943 177.4386 33 E 3.7169 7.9920 119.7055 59.0553 29.1914 179.1044 34 S 3.3251 6.9681 112.2641 61.2888 62.6152 176.1399 35 R 4.0480 7.5627 119.2310 60.2330 29.8241 178.3482 36 T 3.8981 7.3244 114.9552 65.5813 68.4699 176.0265 37 Q 4.2262 7.4785 120.9800 55.9915 30.1432 175.3734 38 N 4.5360 8.2502 116.1891 51.3803 40.7415 173.7572 39 G 3.4085 8.3528 108.2857 45.7274 0.0000 173.9758 40 R 4.0478 8.2481 126.6147 56.7992 30.7197 177.2044 41 S 4.7849 7.6990 111.6834 56.7038 65.0312 175.0795 42 F 4.6577 9.2816 128.8639 56.7416 37.4986 175.8688 43 Q 4.5933 7.7554 116.7045 55.5368 31.1185 176.4985 44 R 4.4897 7.5545 116.0710 53.9917 32.3197 174.9920 45 T 4.2762 7.8924 116.4387 63.1422 67.8722 174.3674 46 G 3.7774 8.7720 116.7023 44.1824 0.0000 172.3318 47 T 3.9770 8.4380 115.0314 63.5586 70.1116 174.7676 48 L 4.3425 8.6874 124.8360 58.4609 41.6290 179.8029 49 A 4.0099 8.1169 119.5940 55.2912 18.2046 179.2393 50 F 4.5395 8.0968 118.4444 61.2754 39.5628 177.1558 51 E 3.6901 9.2577 120.0633 59.0949 29.3373 178.7950 52 R 3.5979 8.6268 119.1822 59.2154 30.1443 178.5743 53 V 3.6369 7.5995 118.1592 66.3535 31.6632 177.2502 54 Y 4.4243 8.3966 119.2344 61.0845 38.2969 178.6076 55 T 3.5762 7.5402 115.2927 66.3290 68.6859 176.1055 56 A 4.2903 7.7594 122.7715 55.3338 18.4346 179.1994 57 N 3.7732 8.2763 115.4212 56.6362 38.8355 176.5686 58 Q 3.8484 7.7197 116.1138 56.9204 28.7789 176.1909 59 N 4.7488 7.7602 117.8244 54.7960 40.1628 176.3978 60 C 4.0296 7.3387 117.0956 61.4628 28.1354 176.1029 61 V 3.6384 7.4961 119.5314 65.5502 31.3680 176.5502 62 D 4.5006 7.4990 117.7070 56.0350 41.3197 178.1956 63 A 4.3496 8.3604 121.3089 55.9589 18.9193 179.3387 64 Y 4.5797 8.1436 117.9259 60.0653 39.2790 176.1392 65 P 4.1669 0.0000 0.0000 66.7750 31.0512 178.2785 66 T 3.8834 7.9716 115.7457 65.6836 68.3929 176.0530 67 F 4.6246 8.5755 123.1533 61.1987 39.5374 176.9087 68 L 3.2578 8.4048 118.7011 58.1654 41.4349 178.8591 69 A 3.9319 8.2818 120.2257 55.9622 18.1050 179.9571 70 V 3.8754 7.9463 110.4191 63.4157 31.8185 178.4329 71 L 3.7844 8.2904 120.5391 58.2006 41.7093 179.2789 72 W 3.8984 8.2135 118.5237 59.7632 29.2425 178.5783 73 S 4.0766 8.2200 113.9566 61.8356 62.0549 176.5874 74 A 4.1097 7.8234 125.7584 54.0930 18.0513 179.4672 75 G 3.6332 7.7568 101.8684 46.0080 0.0000 174.4906 76 L 4.5177 7.7077 119.5206 56.7316 42.8617 178.2921 77 L 4.0613 8.1256 118.7041 56.1165 41.7387 176.9640 78 C 4.8932 7.5925 118.3025 56.9220 33.1869 172.9055 79 S 3.9437 9.0424 120.9195 59.7281 62.5479 175.5567 80 Q 3.0937 7.6967 123.6703 57.5782 30.2789 178.9345 81 V 3.3729 7.3053 115.0714 66.0507 31.5456 176.1403 82 P 4.2771 0.0000 0.0000 66.3534 31.1656 178.1331 83 A 3.7320 7.4403 120.5872 54.4654 18.2271 179.4950 84 A 3.7022 7.8227 119.0523 55.2095 18.2933 179.5559 85 F 3.8725 8.5263 117.8257 61.3706 39.5329 176.4881 86 A 4.3555 8.5720 119.4919 55.7184 18.4125 179.4130 87 G 4.0572 8.1124 103.4460 47.8521 0.0000 175.5783 88 L 3.9441 7.4255 119.5210 55.5127 41.7831 177.9348 *90 Y 4.5585 7.7990 119.2637 57.1159 40.4806 176.9226 91 L 4.1432 7.7372 119.4215 57.8211 41.4328 179.8375 92 F 4.5577 7.9948 117.7131 60.6759 39.0129 177.8774 93 V 3.7585 8.0862 117.4043 66.2096 31.2356 177.6545 94 R 4.8139 8.9570 118.1416 59.8411 29.9692 178.2582 95 Q 4.1895 8.4554 118.6958 59.7043 28.9885 179.0019 96 K 3.9242 8.5708 119.3226 59.8882 32.2643 178.4190 97 Y 4.4280 8.9449 119.9109 60.7435 38.5469 177.5674 98 F 4.0679 8.7385 121.3216 61.5221 39.6057 177.2061 99 V 3.4626 8.4950 118.1389 65.8234 30.8646 178.0897 100 G 3.7643 8.8892 105.3027 46.7179 0.0000 173.7673 101 Y 5.1628 7.4639 120.2773 55.5184 39.2000 174.3477 102 L 4.0434 8.5734 123.2962 54.9164 40.3582 180.1737 103 G 3.6434 9.1684 105.6509 48.2131 0.0000 171.6836 104 E 4.5045 8.5605 113.5773 57.0857 33.2561 176.4909 105 R 4.2165 8.9876 121.0784 57.0006 27.7084 175.9696 106 T 4.5344 7.0358 113.9557 61.5623 70.3925 174.6528 107 Q 4.1298 8.4578 123.2246 55.8927 28.7108 176.5308 108 S 4.4679 8.5514 118.5174 58.4563 64.4265 174.1287 109 T 4.3010 8.1403 117.3136 60.7013 67.1691 172.2092 110 P 4.2852 0.0000 0.0000 62.6401 34.8381 172.6397 111 G 3.6727 8.9342 114.7219 45.6276 0.0000 173.7424 112 Y 4.8906 8.3233 122.8896 57.5215 38.2832 176.5904 113 I 3.9458 7.5273 121.1357 61.4231 36.5494 175.3074 114 F 4.5539 8.6629 120.6987 55.9261 40.0105 174.9896 115 G 3.0726 8.5142 114.1607 46.1023 0.0000 173.9066 116 K 3.8338 7.5513 122.1252 59.4162 32.7053 178.0027 117 R 3.9229 7.7501 115.9801 59.2064 29.6681 178.1267 118 I 4.1079 7.7194 120.3707 64.5589 37.1186 178.0894 119 I 3.8502 7.2553 112.0796 63.1906 37.5392 177.9824 120 L 3.9234 7.5553 122.8316 58.0354 41.7195 178.3479 121 F 4.4161 9.0429 120.4172 61.6665 39.4861 176.5374 122 L 3.6539 7.7413 117.3871 57.8255 41.6496 179.2886 123 F 4.2730 8.3846 120.4497 60.9683 39.4005 178.5519 124 L 4.3430 8.1951 118.7307 54.7390 40.9969 179.6760 *126 S 4.2673 8.0926 115.2784 58.5864 64.6161 176.8611 127 V 3.5279 7.7476 118.7290 64.7517 31.0080 176.9634 128 A 4.1762 8.9076 123.4268 53.3741 17.7961 179.0449 129 G 3.9030 8.3385 104.6458 46.3842 0.0000 174.6328 130 I 3.4400 7.6911 119.8839 63.7364 38.0387 177.3491 131 F 4.3298 8.5160 121.4508 61.0665 39.6662 176.9304 132 N 3.5213 8.3250 116.0520 56.7274 38.4318 175.9330 133 Y 3.9319 8.2305 121.3265 60.8143 38.8023 177.3807 134 Y 4.2186 7.9792 117.5804 60.7382 37.6719 178.5835 135 L 3.3025 7.1117 119.8354 57.5228 41.7223 179.0147 136 I 3.0652 7.1737 118.7603 64.4540 37.0736 177.9480 137 F 4.4816 7.4643 120.8537 60.6154 39.2010 176.6930 138 F 4.5361 7.2815 115.8182 59.0208 40.5477 177.3844 139 F 5.0130 8.6242 118.1567 56.8842 38.0070 176.4525 140 G 3.7834 7.7376 113.1843 45.7818 0.0000 171.6973 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 2 D 8.22 4.60 0.00 2.92 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 3 Q 8.76 3.63 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 4 E 8.19 3.99 0.00 2.04 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 2.38 2.32 0.00 5 T 7.86 4.00 4.25 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 1.23 0.00 0.00 6 V 7.77 3.72 2.27 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 1.02 0.00 0.00 0.98 0.00 0.00 7 G 8.26 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 0.00 0.00 0.00 8 N 7.55 5.62 0.00 2.74 2.86 0.00 0.00 6.75 8.54 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 9 V 8.43 4.57 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 0.74 0.00 0.00 1.12 0.00 0.00 10 V 7.93 3.61 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 1.04 0.00 0.00 1.01 0.00 0.00 11 L 7.86 3.91 0.00 1.60 1.63 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.69 3.37 0.00 0.99 0.13 0.67 0.31 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 13 A 8.50 4.28 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 14 I 8.37 3.61 2.11 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.46 0.91 0.00 0.00 15 V 8.24 3.58 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 0.68 0.00 0.00 0.89 0.00 0.00 16 T 8.13 3.99 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 1.40 0.00 0.00 17 L 8.46 4.09 0.00 1.93 1.76 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.01 3.75 2.04 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 1.63 0.45 0.97 0.00 0.00 19 S 8.52 4.29 0.00 4.20 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 0.00 20 V 7.72 3.67 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 0.82 0.00 0.00 1.01 0.00 0.00 21 V 7.84 3.74 2.33 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 1.19 0.00 0.00 0.96 0.00 0.00 22 Q 8.52 4.23 0.00 2.46 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.50 0.00 0.00 0.00 0.00 0.00 2.25 1.76 0.00 23 N 8.34 3.76 0.00 2.66 2.65 0.00 0.00 6.93 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 24 G 8.22 3.60 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 0.00 25 F 8.43 4.50 0.00 3.18 3.59 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 26 F 9.01 4.23 0.00 3.02 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 27 A 7.79 4.05 1.36 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 28 H 8.41 4.50 0.00 3.41 3.74 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.52 4.17 0.00 1.97 1.99 0.00 1.65 0.00 0.00 1.87 0.00 0.00 3.22 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.74 1.53 7.81 30 V 7.47 4.09 2.32 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 1.12 0.00 0.00 1.22 0.00 0.00 31 E 8.18 3.91 0.00 2.30 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 2.33 2.40 0.00 32 H 8.15 4.20 0.00 3.13 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.99 3.72 0.00 1.77 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 2.62 2.60 0.00 34 S 6.97 3.33 0.00 4.03 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 35 R 7.56 4.05 0.00 1.81 1.96 0.00 3.38 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 36 T 7.32 3.90 4.17 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 1.17 0.00 0.00 37 Q 7.48 4.23 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 38 N 8.25 4.54 0.00 2.64 2.70 0.00 0.00 7.00 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 39 G 8.35 3.41 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 0.00 40 R 8.25 4.05 0.00 1.78 2.01 0.00 3.14 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 41 S 7.70 4.78 0.00 3.98 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 42 F 9.28 4.66 0.00 2.58 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 43 Q 7.76 4.59 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.45 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 44 R 7.55 4.49 0.00 1.75 1.81 0.00 3.22 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 45 T 7.89 4.28 4.21 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 0.00 0.00 0.00 1.18 0.00 0.00 46 G 8.77 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.44 3.98 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 1.26 0.00 0.00 48 L 8.69 4.34 0.00 1.69 1.75 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.12 4.01 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 50 F 8.10 4.54 0.00 3.05 3.20 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 51 E 9.26 3.69 0.00 1.96 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 2.24 2.28 0.00 52 R 8.63 3.60 0.00 2.04 1.79 0.00 3.11 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 53 V 7.60 3.64 2.49 0.00 0.00 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 1.06 0.00 0.00 54 Y 8.40 4.42 0.00 3.20 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 55 T 7.54 3.58 4.11 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 1.24 0.00 0.00 56 A 7.76 4.29 1.53 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 57 N 8.28 3.77 0.00 2.34 2.80 0.00 0.00 6.95 6.95 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 58 Q 7.72 3.85 0.00 0.98 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.02 2.25 0.00 59 N 7.76 4.75 0.00 2.98 2.75 0.00 0.00 7.02 7.47 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 60 C 7.34 4.03 0.00 2.73 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 61 V 7.50 3.64 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 0.83 0.00 0.00 0.87 0.00 0.00 62 D 7.50 4.50 0.00 2.68 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 63 A 8.36 4.35 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 0.00 0.00 0.00 0.00 0.00 64 Y 8.14 4.58 0.00 3.20 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 65 P 0.00 4.17 0.00 2.31 2.30 0.00 3.87 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 66 T 7.97 3.88 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 1.27 0.00 0.00 67 F 8.58 4.62 0.00 3.40 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 68 L 8.40 3.26 0.00 1.45 1.48 0.24 -0.62 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 69 A 8.28 3.93 1.36 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 70 V 7.95 3.88 2.12 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 1.29 0.00 0.00 1.19 0.00 0.00 71 L 8.29 3.78 0.00 1.23 1.40 0.03 0.87 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 72 W 8.21 3.90 0.00 3.33 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 73 S 8.22 4.08 0.00 3.99 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 74 A 7.82 4.11 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 75 G 7.76 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 76 L 7.71 4.52 0.00 1.75 1.69 1.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.13 4.06 0.00 1.84 1.65 0.83 0.56 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 78 C 7.59 4.89 0.00 2.90 2.79 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 0.00 0.00 0.00 79 S 9.04 3.94 0.00 3.93 3.81 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 80 Q 7.70 3.09 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 81 V 7.31 3.37 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 0.93 0.00 0.00 82 P 0.00 4.28 0.00 2.42 2.43 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.11 0.00 83 A 7.44 3.73 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 84 A 7.82 3.70 1.33 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 0.00 0.00 85 F 8.53 3.87 0.00 3.01 3.24 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 86 A 8.57 4.36 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 87 G 8.11 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 88 L 7.43 3.94 0.00 1.54 1.21 -0.14 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 *90 Y 7.80 4.56 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 91 L 7.74 4.14 0.00 1.88 1.84 0.85 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 92 F 7.99 4.56 0.00 3.04 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 93 V 8.09 3.76 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 1.12 0.00 0.00 1.00 0.00 0.00 94 R 8.96 4.81 0.00 2.26 2.35 0.00 3.59 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 1.66 0.00 95 Q 8.46 4.19 0.00 2.59 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 96 K 8.57 3.92 0.00 2.14 1.95 0.00 1.75 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.54 7.81 97 Y 8.94 4.43 0.00 3.16 3.35 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 98 F 8.74 4.07 0.00 2.51 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 99 V 8.50 3.46 2.26 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 1.00 0.00 0.00 0.75 0.00 0.00 100 G 8.89 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 0.00 0.00 0.00 101 Y 7.46 5.16 0.00 3.10 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 0.00 102 L 8.57 4.04 0.00 1.33 1.23 0.84 1.28 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 0.00 103 G 9.17 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 0.00 0.00 0.00 104 E 8.56 4.50 0.00 1.98 1.80 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 2.23 2.24 0.00 105 R 8.99 4.22 0.00 1.98 2.08 0.00 3.19 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 106 T 7.04 4.53 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 1.24 0.00 0.00 107 Q 8.46 4.13 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 108 S 8.55 4.47 0.00 4.16 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 0.00 109 T 8.14 4.30 4.21 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 0.00 0.00 0.00 1.31 0.00 0.00 110 P 0.00 4.29 0.00 2.08 2.10 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 111 G 8.93 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 0.00 0.00 0.00 112 Y 8.32 4.89 0.00 3.15 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 0.00 113 I 7.53 3.95 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.90 0.00 0.00 114 F 8.66 4.55 0.00 2.92 2.42 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 0.00 115 G 8.51 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 0.00 0.00 0.00 116 K 7.55 3.83 0.00 1.75 1.73 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81 117 R 7.75 3.92 0.00 2.07 2.14 0.00 3.01 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 118 I 7.72 4.11 1.55 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 1.71 0.58 0.45 0.00 0.00 119 I 7.26 3.85 1.90 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.05 0.65 0.00 0.00 120 L 7.56 3.92 0.00 1.92 1.86 0.96 1.05 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 0.00 121 F 9.04 4.42 0.00 2.76 3.38 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 0.00 122 L 7.74 3.65 0.00 1.72 1.71 0.55 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.38 4.27 0.00 3.18 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 0.00 124 L 8.20 4.34 0.00 2.13 1.80 1.36 0.89 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 *126 S 8.09 4.27 0.00 3.73 3.75 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 0.00 127 V 7.75 3.53 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.87 0.00 0.00 128 A 8.91 4.18 1.36 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 0.00 129 G 8.34 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 0.00 0.00 0.00 130 I 7.69 3.44 1.99 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.94 0.87 0.00 0.00 131 F 8.52 4.33 0.00 3.05 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 0.00 132 N 8.33 3.52 0.00 2.76 2.85 0.00 0.00 6.75 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 0.00 133 Y 8.23 3.93 0.00 2.93 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 0.00 134 Y 7.98 4.22 0.00 2.96 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 7.11 3.30 0.00 1.52 1.39 0.78 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.17 3.07 1.73 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 1.35 0.44 0.89 0.00 0.00 137 F 7.46 4.48 0.00 2.21 2.64 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 0.00 138 F 7.28 4.54 0.00 2.20 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 0.00 139 F 8.62 5.01 0.00 2.88 2.90 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 0.00 140 G 7.74 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.