NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1408 8.1627 120.2803 54.8227 33.2593 173.9036 2 K 3.9615 8.4389 128.0133 55.7744 32.4997 175.1106 3 G 3.9508 8.7388 115.9657 45.2281 0.0000 171.5214 4 D 4.5682 8.5064 119.7367 54.4134 42.0324 177.1867 5 T 3.8821 8.8130 122.6768 66.7902 68.6125 176.8160 6 K 3.8630 8.1768 120.9977 59.0706 32.2051 178.9064 7 V 3.9056 8.5962 119.0306 66.1520 31.4541 177.8903 8 I 3.7491 7.6903 119.1668 64.6798 36.8989 178.0897 9 N 4.2635 8.2071 117.0472 56.4517 38.3097 177.0506 10 Y 4.0989 7.9704 118.0088 61.1357 37.9870 178.6518 11 L 3.9177 8.4730 120.2521 57.9474 41.6437 179.4240 12 N 4.3403 8.5378 116.8124 56.0485 38.4164 177.4642 13 K 3.8832 8.1586 121.3007 59.3115 32.3156 178.9245 14 L 3.8003 8.1695 119.7106 57.5764 41.3830 178.9725 15 L 4.0123 7.7708 120.7753 58.3093 42.0214 179.2516 16 G 3.6239 8.1914 105.6319 47.9575 0.0000 175.3637 17 N 4.3831 8.0462 118.7956 56.1418 38.5800 177.4266 18 E 4.1089 8.3407 119.9808 59.3921 29.4556 179.3118 19 L 4.0409 8.2550 119.3416 57.7006 41.6079 179.7689 20 V 3.5676 7.7615 117.5953 66.0540 31.5144 177.9535 21 A 3.8318 8.0895 120.4341 55.0102 18.1962 179.3404 22 I 3.7541 8.3900 118.7022 64.9995 37.2835 178.3839 23 N 4.3990 7.9186 117.0179 56.3811 38.3845 177.4399 24 Q 3.8501 8.2539 121.1126 59.3101 29.1137 177.8361 25 Y 4.3457 8.4043 118.3315 60.9190 37.9140 178.1787 26 F 3.8390 8.5222 121.6628 61.0598 39.5196 176.8168 27 L 3.9552 8.1465 119.9537 58.5713 41.8551 178.4078 28 H 3.7788 8.1745 115.7689 58.8364 28.6061 177.2139 29 A 4.1489 8.3419 122.6486 55.7084 18.1341 179.9360 30 R 3.8182 7.8255 115.5494 58.7113 30.0368 179.2750 31 M 3.4329 7.8851 119.4198 58.1138 31.8387 178.4697 32 F 4.5562 7.4213 117.8743 60.5536 39.1207 177.5128 33 K 3.8873 8.2618 119.2875 59.6005 31.7492 178.1181 34 N 4.2737 7.9054 115.8197 56.6038 39.0150 176.4546 35 W 4.7408 7.9543 117.6576 57.6021 29.4232 177.2132 36 G 3.9771 8.3519 108.0576 46.2305 0.0000 174.3064 37 L 4.6571 8.0570 121.8451 52.7369 38.1761 177.0566 38 K 3.8157 7.9464 122.9837 59.9461 32.6001 177.5219 39 R 3.9355 8.3005 118.9174 59.1464 29.9142 178.3371 40 L 4.1027 7.9035 118.8374 57.0289 41.5113 178.8019 41 N 4.5303 8.1543 116.8351 56.8293 39.0467 176.3628 42 D 4.3273 8.0000 120.2223 57.4118 40.9559 179.1212 43 V 3.4382 7.6795 118.3690 66.1417 31.4962 177.9927 44 E 3.9013 8.4795 118.5300 59.2505 29.2864 178.6519 45 Y 3.8721 8.2216 119.8474 61.1819 38.7847 178.1399 46 H 4.1941 8.3315 116.4499 58.3465 28.6845 177.5190 47 E 3.6913 7.7964 120.8024 58.5216 29.2147 178.7814 48 S 4.1053 7.8654 113.5350 61.6044 62.4219 176.2653 49 I 3.5787 7.3752 122.2298 64.3695 36.7950 177.9538 50 D 4.2606 7.6659 119.5908 57.7032 40.6797 179.0265 51 E 4.1931 8.1653 118.6924 59.4022 29.3247 179.3690 52 M 4.0703 8.0259 118.9937 58.3739 32.0309 178.8233 53 K 3.9230 8.1615 118.6619 59.6990 32.1790 179.0992 54 H 4.0826 8.1576 116.1648 58.7912 28.5939 177.4987 55 A 4.2255 8.4515 122.9461 55.3908 18.1466 179.0050 56 D 4.3040 8.3120 116.4849 57.7604 41.2675 178.7962 57 R 3.8691 7.9050 118.3654 59.4398 30.0166 178.7244 58 Y 4.2943 7.8539 116.4821 61.1750 37.9016 178.5679 59 I 3.7986 8.2560 121.0998 64.6177 37.2363 178.4377 60 E 4.0822 8.5177 119.5395 59.1126 29.2108 179.4815 61 R 4.0238 8.1405 118.9229 59.5393 30.1825 178.3686 62 I 3.7698 8.4243 119.9703 64.6790 37.1706 178.3981 63 L 4.0265 8.0670 119.5626 57.7209 41.2120 179.3966 64 F 4.3721 8.1506 119.7142 61.2218 39.6994 176.5518 65 L 4.3896 8.2412 117.7875 54.1107 41.1081 177.2129 66 E 3.9130 7.9876 117.6306 57.4210 27.0200 174.4427 67 G 3.9707 8.1352 108.6942 44.0032 0.0000 173.5980 68 L 4.5340 8.0223 119.1525 52.0169 42.0538 175.1033 69 P 4.4009 0.0000 0.0000 62.4963 31.7960 175.9518 70 N 4.7419 9.4496 122.0281 52.3788 38.9851 173.9411 71 L 4.6371 8.3571 124.2410 54.5664 42.5490 177.4059 72 Q 4.1233 8.5289 121.8952 58.0560 29.3721 175.8629 73 D 4.6509 8.0616 117.3410 52.8624 41.8088 175.2239 74 L 4.5692 8.3090 125.8247 52.7507 43.9640 176.4488 75 G 3.8069 8.4301 115.4422 44.6486 0.0000 171.8534 76 K 4.0886 8.3106 120.7489 55.7995 32.3873 176.6816 77 L 4.1110 8.3299 126.7153 54.4837 42.2845 176.3037 78 N 4.8075 8.8681 120.5402 52.0061 40.2020 174.3644 79 I 3.8439 8.5032 126.5348 64.0945 37.7152 178.2495 80 G 4.1697 8.2390 102.2229 45.8613 0.0000 172.5877 81 E 4.7906 8.5871 115.9738 55.4931 31.8886 176.3298 82 D 5.0188 7.7193 117.7540 50.3733 43.9732 175.9381 83 V 3.9950 8.5392 119.0533 66.7148 31.3331 177.4633 84 E 3.8679 8.2513 117.8949 59.5577 29.4965 178.3060 85 E 4.0041 8.5567 119.2645 59.5523 29.6453 178.7104 86 M 4.1252 8.3396 117.1617 58.2427 31.3531 178.6040 87 L 4.1311 8.4986 120.5552 57.6283 41.7481 179.4142 88 R 3.8874 8.5192 119.1302 59.4107 30.0693 178.5788 89 S 4.0962 8.1674 113.0840 61.3356 62.4274 175.7797 90 D 4.2377 8.1629 121.6898 57.1689 40.5755 178.4718 91 L 3.9940 8.2425 120.6590 58.2972 42.1624 178.8144 92 A 4.0163 8.2295 120.7934 55.1963 18.2282 179.4117 93 L 3.9389 7.8959 118.5422 58.2506 42.1086 179.0783 94 E 4.0591 8.3692 118.6323 59.3460 29.5381 179.2002 95 L 4.0349 8.1072 119.0526 58.1110 41.8302 179.4437 96 D 4.5239 8.3427 118.8661 57.1898 40.6994 179.0912 97 G 3.6468 8.2212 106.3001 47.5353 0.0000 175.7633 98 A 4.0501 8.5137 123.5976 54.6421 18.4681 179.5120 99 K 3.8356 7.9794 117.8946 59.9641 32.2887 178.6988 100 N 4.3905 8.0659 116.2812 56.3505 38.3916 177.3933 101 L 3.9895 8.1279 120.3297 57.8575 41.5856 179.7807 102 R 3.8940 8.2192 118.1475 59.1242 30.0534 178.7544 103 E 3.8458 8.0808 118.5564 59.3038 29.6167 178.7758 104 A 2.8614 7.8445 120.8186 54.7158 18.4070 179.6453 105 I 3.7077 7.9288 118.6471 64.4694 36.9450 178.8917 106 G 3.5970 7.5879 105.4339 47.8778 0.0000 174.8917 107 Y 4.1793 8.0493 122.5565 59.7342 38.8640 177.4091 108 A 3.8257 8.1942 121.9980 55.2080 18.4504 179.0438 109 D 4.0936 7.9022 116.4239 57.4183 41.3807 178.5244 110 S 4.0811 7.7420 113.3545 60.1028 63.4839 175.6128 111 V 3.9825 7.0518 112.4904 61.0383 31.4350 175.7718 112 H 2.8358 7.2813 115.3569 56.6045 26.9919 176.4526 113 D 4.5419 7.3974 121.0297 53.5281 37.4735 176.3196 114 Y 4.3470 7.3868 121.2886 60.6732 38.3931 178.4364 115 V 3.7136 7.8459 119.9789 64.7953 31.8381 178.2938 116 S 4.1601 8.3303 115.8941 61.4360 62.6044 176.7396 117 R 3.8996 8.1023 121.1495 59.4711 29.9522 178.1090 118 D 4.3023 8.3068 117.9623 57.5338 41.3338 177.7309 119 M 3.9932 8.3299 119.0012 59.0873 32.1268 178.1698 120 M 4.1498 8.1953 118.7778 58.3802 32.1062 178.8272 121 I 3.7180 8.1608 120.4373 64.2558 37.3451 178.2091 122 E 3.9588 8.0928 119.2385 59.5757 29.2473 179.5764 123 I 3.5606 7.5453 119.5622 64.1224 37.1231 178.1397 124 L 3.9298 8.1399 121.4485 58.1868 41.9958 179.0073 125 R 3.9099 8.0263 118.5582 59.6333 30.0280 178.2552 126 D 4.3658 7.9519 118.3503 57.3416 40.7621 178.6888 127 E 3.9427 8.3130 119.3647 59.3387 29.4761 178.9120 128 E 4.1878 8.8035 119.9883 59.1343 29.6178 179.1640 129 G 3.6429 7.9656 105.5673 48.0828 0.0000 175.4348 130 H 4.5616 8.1213 118.7741 58.6633 28.6768 177.7608 131 I 3.7956 8.3527 122.0511 64.5980 37.0055 177.7091 132 D 4.3625 8.2932 118.6234 57.3959 41.0034 178.0455 133 F 4.1913 8.3397 120.8749 61.4065 39.3976 177.0074 134 L 3.7293 8.2227 118.3905 57.8250 41.4889 179.2922 135 E 3.9172 8.3461 118.5524 59.7530 29.3501 179.6580 136 T 3.8038 7.9139 115.4678 66.6443 68.5432 176.3736 137 E 3.8662 7.7857 120.3392 59.5585 29.0948 179.5401 138 L 3.7963 7.8534 118.7935 57.9097 41.5579 179.4293 139 D 4.3803 8.1675 118.7988 57.1858 40.6429 178.7522 140 L 3.9730 8.0636 119.7257 57.7724 41.6462 179.4092 141 I 3.3955 7.4778 119.7155 64.5812 36.7582 178.5213 142 Q 3.9709 7.3736 116.1998 58.7764 28.6404 178.5095 143 K 4.1470 8.2197 119.2031 58.8592 32.2644 178.4114 144 M 4.4132 8.3084 114.5136 53.8966 32.5732 177.0925 145 G 4.1176 7.5904 105.9477 46.0307 0.0000 174.4152 146 L 3.9718 8.4364 121.7971 58.0314 42.1614 179.3416 147 Q 3.9920 8.0859 117.4384 59.3447 28.8717 178.7149 148 N 4.3795 8.1456 116.7678 56.2958 38.3736 176.7388 149 Y 3.9966 7.9751 120.2303 60.6122 39.1486 177.7991 150 L 4.0552 8.4510 120.3126 57.9406 41.6460 179.2139 151 Q 3.8912 8.1051 119.1838 59.1226 28.7222 177.8356 152 A 4.1333 7.5338 119.1542 53.5113 18.7006 178.2740 153 Q 4.2212 7.8199 116.0748 55.8220 29.0867 177.7234 154 I 3.9138 7.2299 120.9925 63.1325 37.4038 176.6035 155 R 4.6258 7.5170 117.4857 53.9031 31.9246 175.9512 156 E 4.1065 8.4116 119.1525 56.0382 30.4483 175.8141 157 E 4.1040 8.4986 121.8577 55.2479 30.5066 176.5169 *158 G 3.7273 8.5981 114.1345 45.8882 0.0000 172.1807 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 M 8.16 4.14 0.00 1.48 1.79 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 2 K 8.44 3.96 0.00 1.84 1.69 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.74 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 0.00 0.00 0.00 4 D 8.51 4.57 0.00 2.77 2.62 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 5 T 8.81 3.88 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 1.18 0.00 0.00 6 K 8.18 3.86 0.00 1.71 1.94 0.00 1.44 0.00 0.00 1.08 0.00 0.00 2.51 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.71 0.99 7.81 7 V 8.60 3.91 2.36 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 1.17 0.00 0.00 1.21 0.00 0.00 8 I 7.69 3.75 2.04 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 1.55 0.54 0.91 0.00 0.00 9 N 8.21 4.26 0.00 2.59 2.67 0.00 0.00 7.07 6.82 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 10 Y 7.97 4.10 0.00 3.23 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 11 L 8.47 3.92 0.00 2.01 1.77 1.09 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.54 4.34 0.00 2.76 2.82 0.00 0.00 6.68 7.86 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 13 K 8.16 3.88 0.00 1.74 2.00 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.45 7.81 14 L 8.17 3.80 0.00 0.95 1.14 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.77 4.01 0.00 1.69 1.85 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.19 3.62 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 0.00 17 N 8.05 4.38 0.00 2.96 2.91 0.00 0.00 7.04 7.76 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 18 E 8.34 4.11 0.00 2.26 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 0.00 2.77 2.89 0.00 19 L 8.25 4.04 0.00 1.83 1.72 0.95 1.14 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 20 V 7.76 3.57 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 1.09 0.00 0.00 0.98 0.00 0.00 21 A 8.09 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.39 3.75 2.06 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 1.61 1.09 0.90 0.00 0.00 23 N 7.92 4.40 0.00 2.84 2.86 0.00 0.00 6.76 7.63 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 24 Q 8.25 3.85 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 25 Y 8.40 4.35 0.00 3.19 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 26 F 8.52 3.84 0.00 3.41 3.10 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 27 L 8.15 3.96 0.00 1.96 1.59 0.88 0.88 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 28 H 8.17 3.78 0.00 3.50 3.29 0.00 5.71 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 29 A 8.34 4.15 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 30 R 7.83 3.82 0.00 1.75 1.89 0.00 3.30 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.75 0.00 31 M 7.89 3.43 0.00 0.85 1.52 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.15 0.00 32 F 7.42 4.56 0.00 3.31 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 33 K 8.26 3.89 0.00 2.06 1.93 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.43 7.81 34 N 7.91 4.27 0.00 2.68 2.68 0.00 0.00 7.34 8.33 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 35 W 7.95 4.74 0.00 3.71 3.18 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 0.00 0.00 0.00 0.00 36 G 8.35 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 0.00 0.00 0.00 37 L 8.06 4.66 0.00 2.17 1.65 1.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.95 3.82 0.00 2.01 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.30 3.94 0.00 2.08 1.96 0.00 3.47 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 40 L 7.90 4.10 0.00 1.64 1.03 1.02 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.15 4.53 0.00 3.09 3.01 0.00 0.00 7.24 8.49 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 42 D 8.00 4.33 0.00 2.89 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 43 V 7.68 3.44 1.97 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 -0.12 0.00 0.00 0.85 0.00 0.00 44 E 8.48 3.90 0.00 2.28 2.34 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 2.64 3.08 0.00 45 Y 8.22 3.87 0.00 2.92 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 46 H 8.33 4.19 0.00 3.28 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.80 3.69 0.00 1.21 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 1.76 1.91 0.00 48 S 7.87 4.11 0.00 4.03 3.86 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 0.00 0.00 0.00 49 I 7.38 3.58 1.72 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.45 0.85 0.00 0.00 50 D 7.67 4.26 0.00 2.76 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 51 E 8.17 4.19 0.00 2.20 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 0.00 2.74 2.82 0.00 52 M 8.03 4.07 0.00 2.05 2.24 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 2.80 2.55 0.00 53 K 8.16 3.92 0.00 1.86 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.16 4.08 0.00 3.53 3.35 0.00 5.65 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 55 A 8.45 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.31 4.30 0.00 2.90 2.86 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 0.00 0.00 0.00 57 R 7.91 3.87 0.00 1.83 1.78 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 58 Y 7.85 4.29 0.00 3.23 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 59 I 8.26 3.80 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.87 0.95 0.00 0.00 60 E 8.52 4.08 0.00 2.03 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 2.35 2.50 0.00 61 R 8.14 4.02 0.00 2.13 2.21 0.00 3.36 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 1.75 1.86 0.00 62 I 8.42 3.77 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.78 0.98 0.00 0.00 63 L 8.07 4.03 0.00 2.11 1.80 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.15 4.37 0.00 2.97 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 65 L 8.24 4.39 0.00 1.69 1.62 1.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.99 3.91 0.00 2.08 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 0.00 2.16 2.26 0.00 67 G 8.14 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 68 L 8.02 4.53 0.00 1.60 1.62 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.40 0.00 2.06 2.02 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 70 N 9.45 4.74 0.00 2.58 2.78 0.00 0.00 7.06 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 71 L 8.36 4.64 0.00 1.63 1.64 0.94 0.97 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 72 Q 8.53 4.12 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.06 4.65 0.00 2.68 2.57 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 74 L 8.31 4.57 0.00 1.52 1.51 0.91 1.10 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 75 G 8.43 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 0.00 0.00 0.00 76 K 8.31 4.09 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.33 4.11 0.00 1.64 1.55 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.87 4.81 0.00 2.61 2.69 0.00 0.00 7.20 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 79 I 8.50 3.84 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.92 0.00 0.00 80 G 8.24 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 0.00 0.00 0.00 0.00 81 E 8.59 4.79 0.00 1.99 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 2.26 2.30 0.00 82 D 7.72 5.02 0.00 2.78 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 83 V 8.54 3.99 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 1.25 0.00 0.00 1.26 0.00 0.00 84 E 8.25 3.87 0.00 2.04 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 2.34 2.29 0.00 85 E 8.56 4.00 0.00 2.31 2.16 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 2.34 2.35 0.00 86 M 8.34 4.13 0.00 2.30 1.76 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.96 0.00 87 L 8.50 4.13 0.00 2.05 1.79 1.24 0.65 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 88 R 8.52 3.89 0.00 2.11 1.94 0.00 3.09 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 89 S 8.17 4.10 0.00 4.04 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 90 D 8.16 4.24 0.00 3.11 2.78 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 91 L 8.24 3.99 0.00 1.80 1.88 0.97 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 92 A 8.23 4.02 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 93 L 7.90 3.94 0.00 1.88 1.79 0.90 0.72 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 94 E 8.37 4.06 0.00 2.27 2.09 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 2.61 2.70 0.00 95 L 8.11 4.03 0.00 2.05 1.74 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.34 4.52 0.00 2.85 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 97 G 8.22 3.65 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 0.00 0.00 0.00 98 A 8.51 4.05 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 99 K 7.98 3.84 0.00 2.06 2.01 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 100 N 8.07 4.39 0.00 3.00 2.91 0.00 0.00 7.12 6.26 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 0.00 101 L 8.13 3.99 0.00 1.99 1.74 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.22 3.89 0.00 1.98 1.98 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 103 E 8.08 3.85 0.00 2.22 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 0.00 2.37 2.37 0.00 104 A 7.84 2.86 1.02 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 0.00 0.00 105 I 7.93 3.71 1.98 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 1.46 1.16 0.91 0.00 0.00 106 G 7.59 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 0.00 107 Y 8.05 4.18 0.00 3.14 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 0.00 108 A 8.19 3.83 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 0.00 109 D 7.90 4.09 0.00 2.88 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 0.00 110 S 7.74 4.08 0.00 3.93 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 0.00 111 V 7.05 3.98 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 0.43 0.00 0.00 0.65 0.00 0.00 112 H 7.28 2.84 0.00 3.18 3.31 0.00 5.84 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.40 4.54 0.00 2.63 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 0.00 114 Y 7.39 4.35 0.00 3.11 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 0.00 115 V 7.85 3.71 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 1.00 0.00 0.00 0.98 0.00 0.00 116 S 8.33 4.16 0.00 4.21 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 0.00 117 R 8.10 3.90 0.00 1.91 2.21 0.00 3.34 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 118 D 8.31 4.30 0.00 2.97 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 0.00 119 M 8.33 3.99 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 120 M 8.20 4.15 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.81 0.00 121 I 8.16 3.72 1.88 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 1.53 0.79 0.91 0.00 0.00 122 E 8.09 3.96 0.00 2.28 1.97 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 2.32 2.35 0.00 123 I 7.55 3.56 1.92 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.75 0.00 0.00 124 L 8.14 3.93 0.00 1.86 1.87 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.03 3.91 0.00 2.04 2.11 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 126 D 7.95 4.37 0.00 2.99 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 0.00 127 E 8.31 3.94 0.00 2.13 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 0.00 2.60 2.51 0.00 128 E 8.80 4.19 0.00 2.24 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 2.33 2.36 0.00 129 G 7.97 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 0.00 130 H 8.12 4.56 0.00 3.53 3.60 0.00 5.66 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 0.00 131 I 8.35 3.80 2.10 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 1.49 0.83 0.96 0.00 0.00 132 D 8.29 4.36 0.00 2.96 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 0.00 133 F 8.34 4.19 0.00 3.27 3.34 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 0.00 134 L 8.22 3.73 0.00 1.94 1.72 1.26 1.16 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 0.00 135 E 8.35 3.92 0.00 2.13 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 2.33 2.49 0.00 136 T 7.91 3.80 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 1.20 0.00 0.00 137 E 7.79 3.87 0.00 1.77 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 1.47 1.74 0.00 138 L 7.85 3.80 0.00 1.73 1.63 0.90 0.91 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 0.00 139 D 8.17 4.38 0.00 2.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 3.97 0.00 1.90 1.86 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.48 3.40 1.73 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 -0.09 0.72 0.00 0.00 142 Q 7.37 3.97 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 143 K 8.22 4.15 0.00 1.71 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 144 M 8.31 4.41 0.00 2.19 2.20 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 2.60 2.85 0.00 145 G 7.59 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 0.00 146 L 8.44 3.97 0.00 1.75 1.67 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.09 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.15 4.38 0.00 2.98 2.89 0.00 0.00 6.68 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 0.00 149 Y 7.98 4.00 0.00 3.02 3.18 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 0.00 0.00 0.00 0.00 150 L 8.45 4.06 0.00 2.01 1.69 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.11 3.89 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.53 4.13 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 0.00 153 Q 7.82 4.22 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.76 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 154 I 7.23 3.91 1.97 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 0.86 0.90 0.00 0.00 155 R 7.52 4.63 0.00 1.76 1.81 0.00 3.19 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 156 E 8.41 4.11 0.00 2.06 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 2.26 2.28 0.00 157 E 8.50 4.10 0.00 1.94 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 2.25 2.29 0.00 *158 G 8.60 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.