NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.3816 8.1849 120.6165 54.8611 43.2054 175.6986 8 H 4.8497 8.3034 117.6000 53.4568 32.7951 171.2230 9 K 4.4922 9.5442 123.7116 56.2949 33.3157 175.9080 10 E 5.0137 9.2938 123.7727 53.6615 33.5527 173.8729 11 P 4.8524 0.0000 0.0000 63.3777 32.4999 174.7416 12 A 4.8431 8.0389 121.2288 51.7195 22.9177 175.6032 13 T 4.6844 8.4979 108.7723 59.3074 72.3465 173.3956 14 L 4.2021 8.6315 125.8408 56.3359 42.0725 176.2329 15 I 4.2246 8.7104 127.7053 62.9268 38.2934 176.3154 16 K 4.4869 7.6216 119.9529 55.0607 35.3737 174.5434 17 A 4.3868 8.8436 130.2887 52.6739 18.6950 175.4464 18 I 4.4559 7.9298 118.9129 61.8534 39.3188 176.7431 19 D 4.5686 7.7280 120.2932 53.0122 41.5340 176.1823 20 G 4.0451 9.3245 105.5686 48.2923 0.0000 173.6571 21 D 5.0610 8.2125 116.1152 52.5963 41.7390 175.2111 22 T 5.8261 8.6813 109.2540 59.5748 72.4318 173.1268 23 V 4.7429 8.1531 120.5434 60.5567 35.1271 172.5037 24 K 4.9939 9.1849 125.1981 55.4118 33.5316 175.2683 25 L 5.3147 9.2465 127.1468 53.1533 46.3151 175.0237 26 M 5.1029 9.1143 121.6448 54.5549 34.0142 174.1681 27 Y 5.1129 9.0859 127.4610 56.3828 42.3678 175.4146 28 K 3.6938 9.3847 125.7784 57.4293 29.8772 175.8603 29 G 3.9609 8.4906 103.6260 45.5219 0.0000 173.6899 30 Q 4.8236 7.9429 118.7339 52.8087 32.3583 173.3148 31 P 4.9257 0.0000 0.0000 63.5281 32.3873 175.4670 32 M 4.5950 8.8167 120.0724 55.0028 36.5128 173.4760 33 T 4.7351 8.5365 123.1627 63.4280 70.2617 173.3404 34 F 5.0666 9.5420 125.6227 55.7341 41.8061 174.5281 35 R 5.0947 9.0522 123.7466 54.2715 32.0396 175.2113 36 L 4.3666 8.6956 127.5390 54.7657 42.3344 177.3067 37 L 4.0443 8.5301 123.8521 55.6916 42.9131 178.1108 38 L 4.3825 8.9091 119.6546 55.5009 39.2826 174.0555 39 V 5.1483 7.3890 109.4480 59.6803 36.0331 174.9749 40 D 4.9325 9.0588 121.6189 53.1873 43.6455 174.7280 41 T 4.8124 8.8888 117.0085 60.2299 70.8269 172.7825 42 P 4.5616 0.0000 0.0000 62.5069 32.3844 176.2855 43 E 4.0086 9.1221 121.7204 56.7916 30.2063 177.8137 *50 F 4.7175 8.5966 123.4558 58.2748 40.9836 175.5938 51 N 4.3608 8.1303 114.3771 53.2236 37.9309 174.4650 52 E 4.3959 8.1467 120.0571 54.2508 31.3841 175.2174 53 K 3.7570 8.1617 121.4351 58.1719 32.5492 176.6456 54 Y 4.0258 7.6641 121.0766 58.8325 36.2865 171.6008 55 G 3.5696 8.1286 107.9801 47.4458 0.0000 174.3923 56 P 4.4982 0.0000 0.0000 64.9873 31.1304 178.5890 57 E 4.0251 8.2265 117.0342 59.2468 29.4895 178.7972 58 A 4.0919 8.4866 121.1600 55.5951 17.9652 179.7148 59 S 4.1440 8.2405 113.2283 61.9465 62.9370 177.0228 60 A 4.1417 8.2252 123.3399 54.8637 18.1963 179.4900 61 F 3.9847 8.5919 119.4356 61.8258 39.5247 177.6218 62 T 4.0057 8.3304 115.4574 66.2930 68.1644 176.6931 63 K 3.8695 8.2116 121.6541 59.4999 32.2699 178.8313 64 K 3.8892 8.0255 119.8511 59.6210 31.8846 178.4371 65 M 3.8653 7.6209 117.5697 58.3758 32.3475 177.9342 66 K 4.1631 7.9682 118.4391 59.1252 32.3008 179.1140 67 E 4.0760 8.3976 117.9493 58.6407 29.4483 178.1820 68 N 4.5761 7.9232 114.6385 53.0201 39.4554 175.4299 69 A 4.3867 7.0389 123.7618 51.8267 18.9829 177.7415 70 K 4.1856 8.9794 120.7492 58.1094 33.6355 177.1297 71 K 4.5005 8.2942 121.7925 55.0802 35.4485 174.6607 72 I 4.9903 8.4617 128.2004 59.8741 39.6045 174.5588 73 E 5.0453 8.9652 125.0058 54.5611 33.8704 174.6750 74 V 4.3901 9.0472 123.5088 61.0745 34.1320 174.1796 75 E 5.1560 8.7604 127.8822 53.1854 31.9705 174.8629 76 F 4.6143 8.6853 125.6427 57.6146 40.0934 175.8340 77 D 5.0286 8.4142 120.7836 53.4542 43.2621 175.8114 78 K 4.3130 8.8274 116.8934 58.5038 33.2789 178.4803 79 G 4.1585 7.7582 108.9504 44.7388 0.0000 174.8202 80 Q 4.0029 8.7080 124.3626 56.3763 29.1748 176.4498 81 R 4.4932 8.4699 120.2608 56.7130 31.2153 176.1232 82 T 4.9415 7.4139 114.0370 61.5759 72.0905 173.5217 83 D 4.6629 8.9342 126.4472 51.6130 41.3911 177.1345 84 K 3.7872 8.1513 117.1734 59.4614 32.5311 177.0976 85 Y 4.4200 7.8067 115.8869 57.6893 37.8801 176.2518 86 G 3.9144 8.2599 108.2692 45.3888 0.0000 174.1173 87 R 4.2298 8.3558 120.2051 55.3251 31.4512 176.5161 88 G 3.4876 8.4661 111.4859 46.3244 0.0000 172.1962 89 L 5.4070 9.1177 123.8788 52.1141 43.7144 175.7343 90 A 4.4663 8.2175 123.8536 50.9534 23.1243 174.0692 91 Y 4.8537 8.5444 117.6888 57.5245 39.5262 174.9853 92 I 4.8386 8.7668 124.9288 59.6662 40.2595 174.2191 93 Y 5.1757 9.0180 123.5910 56.0778 41.5248 174.7263 94 A 4.6994 9.0889 124.5170 50.0808 21.6192 176.2349 95 D 4.4737 9.9560 125.4581 56.0912 38.9142 175.5216 96 G 3.9298 8.2578 104.2943 45.3515 0.0000 172.8788 97 K 4.5345 7.8621 121.8065 54.6291 33.9421 174.7835 98 M 3.9899 8.4594 125.6035 54.8928 33.0401 176.9989 99 V 3.6589 8.7749 127.2125 66.1135 31.6487 177.6362 100 N 4.3132 8.0354 115.7614 56.4088 38.4246 176.8317 101 E 3.8974 8.0562 119.8016 59.1962 29.9305 178.4062 102 A 4.0840 8.0826 120.8498 55.1147 18.3882 179.4729 103 L 3.4449 8.2059 117.6957 57.9286 41.6469 180.0641 104 V 3.8336 7.4724 119.2407 65.5315 31.2918 178.0906 105 R 4.0610 8.2548 117.6973 58.8897 29.9577 177.4555 106 Q 4.3739 7.6043 115.0441 54.8380 29.1910 175.9127 107 G 3.8981 8.1479 108.8712 46.6373 0.0000 174.9483 108 L 4.4934 7.8159 117.7419 54.2263 42.8198 176.3846 109 A 4.8287 7.4599 119.9627 50.3212 23.0669 175.1647 110 K 4.8991 8.5977 119.1658 54.7183 34.5413 176.5869 111 V 4.2461 9.2712 124.2168 63.5095 32.0493 174.9787 112 A 4.2245 9.2694 127.2635 51.1878 23.2362 175.0146 113 Y 3.2294 7.5064 113.9224 58.9722 35.1978 173.1582 114 V 4.0477 7.2136 118.6758 61.8585 31.5000 173.7767 115 Y 4.7945 8.1073 124.7597 55.3340 39.9841 175.6447 116 K 4.0128 8.7403 124.1685 58.4289 32.4783 177.2084 117 G 4.0447 9.1106 113.1457 45.8446 0.0000 172.8557 118 N 5.2583 8.0586 115.6567 52.0858 39.0168 174.2060 119 N 5.2393 7.7497 110.1232 52.8608 38.9580 177.2717 120 T 3.8332 9.0070 118.4515 67.8954 68.7582 175.0973 121 H 4.8409 8.0811 116.4653 55.7942 29.2230 176.8168 122 E 3.9893 8.3435 122.9198 59.8194 29.3855 178.9298 123 Q 4.0510 8.0300 117.4998 58.5388 28.9068 177.9593 124 L 3.9136 7.9673 121.0419 58.4567 42.0147 179.0814 125 L 4.0418 8.0118 118.6141 57.8556 41.4629 179.7478 126 R 3.9180 8.5129 118.5113 58.9489 29.9130 179.0222 127 K 3.9027 8.1789 119.5462 59.1311 32.0786 178.7938 128 A 3.9589 7.9384 121.1475 55.0629 18.3074 179.2617 129 E 3.8633 8.4495 117.7584 59.1865 29.6764 178.5595 130 A 3.7661 8.0859 121.1540 55.4819 18.3048 179.7357 131 Q 3.8246 7.9857 115.9628 58.9249 28.7657 178.6006 132 A 3.9856 8.1979 122.1896 55.2905 18.3749 179.6897 133 K 3.4172 8.0750 118.3406 58.9461 31.8484 178.8693 134 K 3.8050 7.7539 119.3159 59.5933 32.2690 178.0587 135 E 4.1624 8.1749 115.0227 55.8798 30.0793 176.6318 136 K 4.0714 8.1897 118.5953 57.1713 30.6932 174.9335 137 L 4.2051 8.1800 118.1125 55.6049 44.2971 177.7235 138 N 3.7133 9.2305 120.9764 53.9493 37.5426 176.5614 139 I 3.1742 5.4200 126.5785 64.6922 37.4642 176.6814 140 W 4.7828 7.7548 118.0437 56.6956 29.1283 176.5009 141 S 4.7435 7.8134 118.9123 57.8567 62.6636 173.9533 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 7 L 8.18 4.38 0.00 1.67 1.75 1.07 0.88 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 8 H 8.30 4.85 0.00 3.21 3.19 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.54 4.49 0.00 1.54 1.77 0.00 1.38 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.99 1.20 7.81 10 E 9.29 5.01 0.00 2.13 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 2.38 2.38 0.00 11 P 0.00 4.85 0.00 2.11 2.08 0.00 3.92 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 2.04 2.00 0.00 12 A 8.04 4.84 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 13 T 8.50 4.68 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 1.23 0.00 0.00 14 L 8.63 4.20 0.00 1.66 1.64 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.71 4.22 1.97 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 1.15 0.75 0.93 0.00 0.00 16 K 7.62 4.49 0.00 1.79 1.60 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.41 7.81 17 A 8.84 4.39 1.25 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 0.00 0.00 18 I 7.93 4.46 1.98 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 1.47 0.90 0.90 0.00 0.00 19 D 7.73 4.57 0.00 2.87 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 20 G 9.32 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 21 D 8.21 5.06 0.00 2.88 2.85 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 22 T 8.68 5.83 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 1.21 0.00 0.00 23 V 8.15 4.74 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 0.83 0.00 0.00 1.03 0.00 0.00 24 K 9.18 4.99 0.00 1.87 1.85 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.47 7.81 25 L 9.25 5.31 0.00 1.77 1.53 0.36 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.11 5.10 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 27 Y 9.09 5.11 0.00 3.30 3.11 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 28 K 9.38 3.69 0.00 1.34 1.59 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.06 0.43 7.81 29 G 8.49 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 30 Q 7.94 4.82 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 31 P 0.00 4.93 0.00 2.11 2.09 0.00 3.84 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 32 M 8.82 4.60 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 33 T 8.54 4.74 4.22 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 1.22 0.00 0.00 34 F 9.54 5.07 0.00 2.94 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 35 R 9.05 5.09 0.00 1.87 1.77 0.00 3.35 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 36 L 8.70 4.37 0.00 1.57 1.62 1.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.53 4.04 0.00 0.95 1.32 0.21 0.35 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 38 L 8.91 4.38 0.00 2.05 1.94 1.19 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.39 5.15 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 0.74 0.00 0.00 1.07 0.00 0.00 40 D 9.06 4.93 0.00 2.95 2.54 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 41 T 8.89 4.81 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 1.33 0.00 0.00 42 P 0.00 4.56 0.00 2.05 2.05 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 2.14 2.10 0.00 43 E 9.12 4.01 0.00 2.08 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 2.40 2.42 0.00 *50 F 8.60 4.72 0.00 3.01 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 51 N 8.13 4.36 0.00 2.84 2.96 0.00 0.00 5.97 7.66 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 52 E 8.15 4.40 0.00 2.12 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 2.23 2.20 0.00 53 K 8.16 3.76 0.00 1.52 1.58 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.71 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.50 0.86 7.81 54 Y 7.66 4.03 0.00 3.20 2.99 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 55 G 8.13 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.50 0.00 2.12 2.01 0.00 3.43 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 1.83 1.53 0.00 57 E 8.23 4.03 0.00 2.36 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 2.55 2.53 0.00 58 A 8.49 4.09 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 59 S 8.24 4.14 0.00 4.26 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 60 A 8.23 4.14 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 61 F 8.59 3.98 0.00 3.31 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 62 T 8.33 4.01 4.34 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 1.30 0.00 0.00 63 K 8.21 3.87 0.00 1.95 2.00 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.52 7.81 64 K 8.03 3.89 0.00 1.83 1.75 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.37 7.81 65 M 7.62 3.87 0.00 1.91 1.67 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 66 K 7.97 4.16 0.00 2.07 1.81 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.49 7.81 67 E 8.40 4.08 0.00 2.04 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 2.33 2.39 0.00 68 N 7.92 4.58 0.00 2.74 2.83 0.00 0.00 6.95 7.30 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 69 A 7.04 4.39 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 70 K 8.98 4.19 0.00 1.88 1.94 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.46 7.81 71 K 8.29 4.50 0.00 1.82 1.78 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.41 7.81 72 I 8.46 4.99 2.03 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 1.34 1.59 0.85 0.00 0.00 73 E 8.97 5.05 0.00 1.90 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 2.20 2.21 0.00 74 V 9.05 4.39 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 -0.07 0.00 0.00 0.24 0.00 0.00 75 E 8.76 5.16 0.00 2.24 2.29 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 2.50 2.39 0.00 76 F 8.69 4.61 0.00 3.06 2.99 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 77 D 8.41 5.03 0.00 2.71 2.99 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 78 K 8.83 4.31 0.00 1.98 1.89 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.57 7.81 79 G 7.76 4.16 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 0.00 0.00 0.00 80 Q 8.71 4.00 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 81 R 8.47 4.49 0.00 1.61 1.42 0.00 2.62 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 82 T 7.41 4.94 4.16 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 1.14 0.00 0.00 83 D 8.93 4.66 0.00 2.75 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 84 K 8.15 3.79 0.00 1.55 1.71 0.00 1.21 0.00 0.00 1.44 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.75 0.21 7.81 85 Y 7.81 4.42 0.00 2.96 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 86 G 8.26 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 87 R 8.36 4.23 0.00 2.10 1.82 0.00 3.13 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 88 G 8.47 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 9.12 5.41 0.00 1.51 1.59 0.88 0.72 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 90 A 8.22 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.54 4.85 0.00 3.03 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 92 I 8.77 4.84 1.79 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.92 0.86 0.00 0.00 93 Y 9.02 5.18 0.00 2.77 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 94 A 9.09 4.70 1.22 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 0.00 0.00 95 D 9.96 4.47 0.00 2.75 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 96 G 8.26 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 0.00 0.00 0.00 97 K 7.86 4.53 0.00 1.84 1.86 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.38 7.81 98 M 8.46 3.99 0.00 1.89 1.48 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 2.28 0.00 99 V 8.77 3.66 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 1.16 0.00 0.00 0.96 0.00 0.00 100 N 8.04 4.31 0.00 2.90 2.93 0.00 0.00 6.76 7.66 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 0.00 101 E 8.06 3.90 0.00 1.96 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 2.37 2.35 0.00 102 A 8.08 4.08 1.64 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 0.00 103 L 8.21 3.44 0.00 1.84 1.65 1.01 1.03 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 0.00 104 V 7.47 3.83 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 1.33 0.00 0.00 1.01 0.00 0.00 105 R 8.25 4.06 0.00 1.87 2.13 0.00 3.34 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 106 Q 7.60 4.37 0.00 1.60 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.32 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 107 G 8.15 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 0.00 108 L 7.82 4.49 0.00 1.30 1.51 0.50 0.50 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 0.00 109 A 7.46 4.83 1.17 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 0.00 0.00 110 K 8.60 4.90 0.00 1.73 1.78 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.55 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.52 1.12 7.81 111 V 9.27 4.25 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 0.74 0.00 0.00 1.01 0.00 0.00 112 A 9.27 4.22 1.12 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 0.00 113 Y 7.51 3.23 0.00 3.19 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 0.00 114 V 7.21 4.05 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 0.94 0.00 0.00 0.97 0.00 0.00 115 Y 8.11 4.79 0.00 3.05 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 0.00 116 K 8.74 4.01 0.00 1.78 1.81 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 117 G 9.11 4.04 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 0.00 118 N 8.06 5.26 0.00 2.80 2.82 0.00 0.00 6.68 8.09 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 0.00 119 N 7.75 5.24 0.00 2.87 3.17 0.00 0.00 6.09 7.22 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 0.00 120 T 9.01 3.83 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 1.08 0.00 0.00 121 H 8.08 4.84 0.00 2.92 3.07 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.34 3.99 0.00 2.16 2.03 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 2.33 2.39 0.00 123 Q 8.03 4.05 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 124 L 7.97 3.91 0.00 1.74 1.85 0.90 0.54 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 0.00 125 L 8.01 4.04 0.00 1.92 1.73 1.02 0.76 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 0.00 126 R 8.51 3.92 0.00 1.80 1.96 0.00 3.29 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 127 K 8.18 3.90 0.00 1.86 1.95 0.00 1.49 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.47 7.81 128 A 7.94 3.96 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 0.00 129 E 8.45 3.86 0.00 2.09 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 2.08 2.59 0.00 130 A 8.09 3.77 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 0.00 131 Q 7.99 3.82 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 132 A 8.20 3.99 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 3.42 0.00 0.79 1.24 0.00 1.27 0.00 0.00 0.93 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.08 1.05 7.81 134 K 7.75 3.80 0.00 1.95 1.83 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.42 7.81 135 E 8.17 4.16 0.00 1.98 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 2.33 2.51 0.00 136 K 8.19 4.07 0.00 1.92 1.89 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.55 7.81 137 L 8.18 4.21 0.00 1.90 1.73 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.23 3.71 0.00 2.72 1.50 0.00 0.00 7.14 7.48 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 0.00 139 I 5.42 3.17 1.13 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 -0.14 0.00 0.00 140 W 7.75 4.78 0.00 3.30 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 0.00 141 S 7.81 4.74 0.00 4.04 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 * Residues marked with a * may have inaccurate shift predictions.