NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1823 8.1633 120.2799 54.6576 33.0815 174.1805 2 K 3.9611 8.5045 126.3615 56.2797 32.4270 175.7353 3 G 3.9365 8.6883 113.6360 44.8583 0.0000 171.9181 4 D 4.5338 8.4837 119.8396 54.4107 41.8562 176.7875 5 T 3.8760 9.0001 123.1952 66.9666 68.5080 176.3771 6 K 3.8280 8.1419 120.7719 59.1971 32.2576 178.7670 7 V 3.9195 8.6607 118.9265 66.2062 31.4281 177.8856 8 I 3.7375 7.8364 119.4188 64.7131 36.9286 178.0907 9 N 4.2759 8.2326 117.0354 56.4298 38.3108 177.1044 10 Y 4.0467 8.0567 118.0854 61.0894 38.0274 178.4957 11 L 3.8773 8.4965 120.2299 58.0550 41.6717 179.4773 12 N 4.3966 8.5518 116.6917 55.9822 38.4015 177.4879 13 K 3.8677 8.1206 121.2890 59.3473 32.2999 178.9314 14 L 3.7960 8.1556 119.6495 57.5349 41.3808 178.9283 15 L 3.9825 7.7715 120.7761 58.2751 42.0381 179.0822 16 G 3.7154 8.1764 105.5622 48.1392 0.0000 175.1922 17 N 4.3457 8.0144 118.9706 56.0761 38.5780 177.3880 18 E 4.0067 8.3665 119.9316 59.3830 29.4115 179.3872 19 L 4.0042 8.1812 119.2819 57.6269 41.5539 179.8057 20 V 3.4719 7.6593 117.4795 65.9948 31.5209 177.9384 21 A 3.2373 7.8846 120.4715 54.7744 18.0858 179.3887 22 I 3.5648 7.9975 118.6424 64.8384 37.2188 178.4034 23 N 4.3568 7.7876 116.9121 56.3503 38.3291 177.4188 24 Q 3.8766 8.1696 121.2139 59.4740 29.0801 177.9011 25 Y 4.6140 8.2763 118.2523 60.8518 37.9483 178.0798 26 F 3.8236 8.4540 121.8615 61.0558 39.5250 176.9731 27 L 3.9517 8.2157 120.0255 58.5495 41.8589 178.4729 28 H 3.8265 8.3424 116.0519 58.7010 28.5546 177.4367 29 A 4.0586 8.0768 122.5646 55.4891 18.1859 179.8451 30 R 3.8532 7.6340 115.3559 58.5059 30.1175 179.2360 31 M 3.4521 7.7448 119.2708 58.1803 31.8397 178.3783 32 F 4.6355 7.5628 118.0066 60.6649 39.0116 177.7317 33 K 3.9353 8.2502 119.1043 59.5626 31.8291 178.1139 34 N 4.2381 7.9626 116.1754 56.6655 38.8973 176.1086 35 W 4.8287 7.9884 116.8471 57.0391 29.0611 177.1130 36 G 3.9834 8.5083 108.4335 46.4837 0.0000 174.2965 37 L 4.7360 8.2034 122.7922 52.5424 38.6136 176.7868 38 K 3.8672 7.9321 123.8805 59.6250 32.7076 177.6104 39 R 3.9029 8.1242 118.7721 59.4622 29.9018 178.5289 40 L 4.0473 7.7622 118.3731 57.5415 41.5623 178.6392 41 N 4.4396 8.3288 117.1035 56.8369 38.8964 176.5384 42 D 4.3991 8.2039 120.1140 57.4705 40.9674 179.0475 43 V 3.3583 7.6427 118.4042 65.9463 31.4881 177.6764 44 E 3.8574 8.5398 119.4659 59.3385 29.4926 178.1087 45 Y 3.9546 8.3984 119.9991 61.1072 38.9337 177.7839 46 H 4.0956 8.3793 116.7739 58.2485 28.7774 177.4365 47 E 3.8263 8.1273 121.8465 58.9595 29.4364 178.5649 48 S 4.2221 8.1643 113.3223 61.5408 62.4996 176.1955 49 I 3.5716 7.5783 122.4226 64.4470 36.7819 178.0735 50 D 4.2668 7.9457 119.5937 57.5329 40.5586 178.8360 51 E 4.0664 8.2055 118.7502 59.3208 29.3684 179.2706 52 M 4.0333 7.8745 119.0268 58.2787 31.9901 178.7759 53 K 3.9114 8.0768 118.5855 59.7667 32.2124 179.1045 54 H 4.1041 8.0518 116.1684 58.7822 28.6007 177.6088 55 A 4.2298 8.3441 122.8575 55.3317 18.1717 179.1140 56 D 4.2919 8.2851 116.4907 57.5922 41.3108 178.7286 57 R 3.8624 7.9174 118.4976 59.4018 30.0546 178.6582 58 Y 4.3141 7.8235 116.4027 61.1761 37.9071 178.5909 59 I 3.7593 8.2589 121.0752 64.6871 37.1868 178.3907 60 E 4.0366 8.4049 119.3118 59.2922 29.1788 179.4909 61 R 4.0287 8.2140 118.7872 59.5135 30.1439 178.5539 62 I 3.7613 8.4110 119.9815 64.4594 37.1279 178.4387 63 L 4.0005 8.1478 119.7275 57.7879 41.2578 179.2979 64 F 4.3483 8.4008 119.7357 61.2623 39.6820 176.3958 65 L 4.5130 8.0721 117.5734 53.9469 41.1922 177.2944 66 E 3.8760 7.9975 117.6394 57.2937 27.0618 174.5813 67 G 3.9380 7.9952 108.9821 44.1315 0.0000 173.6122 68 L 4.5356 8.0158 119.2528 51.9970 42.1182 175.0596 69 P 4.3622 0.0000 0.0000 62.5503 31.7647 175.9846 70 N 4.7060 9.6505 122.3758 52.4108 38.7477 173.9917 71 L 4.6035 8.2952 124.2444 54.5278 42.4647 177.5039 72 Q 4.0952 8.5240 121.9965 57.9868 29.3184 175.8021 73 D 4.6739 8.0787 117.4264 52.6201 41.9433 175.2361 74 L 4.5224 8.2908 125.7623 52.6943 43.7664 176.1923 75 G 3.8076 8.4581 115.3659 44.6950 0.0000 171.9521 76 K 4.0374 8.3036 120.6842 56.1060 32.4418 176.5199 77 L 4.2569 8.3019 126.3024 54.4843 42.3827 176.4908 78 N 4.8080 8.7665 120.0982 51.7016 39.1711 172.4703 79 I 4.2380 8.1146 124.2324 59.7621 38.1728 176.6429 80 G 4.0492 8.7695 114.6022 45.1472 0.0000 172.7789 81 E 4.7368 8.6157 117.6280 56.1872 31.0811 176.3783 82 D 4.9126 7.7020 117.9742 50.3099 44.0527 176.0531 83 V 4.0095 8.4187 118.9309 66.5460 31.3521 177.5376 84 E 3.8622 8.2398 118.1941 59.3801 29.5196 178.2087 85 E 3.9709 8.4026 118.9031 59.4416 29.6521 178.7575 86 M 4.0537 8.2748 118.7262 58.4183 32.0183 178.7284 87 L 4.1414 8.2107 119.1146 58.0138 41.7310 179.8191 88 R 3.9338 8.3998 118.3700 59.2413 29.9599 179.1570 89 S 4.1551 8.3462 113.0219 61.3999 62.3681 175.8193 90 D 4.6936 8.4386 121.7028 57.3766 40.5838 178.4840 91 L 3.9420 8.2346 120.5782 58.3308 42.1492 178.9294 92 A 4.0324 8.3638 120.8859 55.0324 18.2730 179.3772 93 L 3.9807 8.1195 118.9353 58.3722 42.1196 179.1073 94 E 4.1168 8.6127 118.7719 59.3694 29.4194 179.3145 95 L 4.0266 8.1712 119.0721 58.0177 41.7744 179.3148 96 D 4.5093 8.3710 118.9443 57.3575 40.6425 179.1807 97 G 3.6363 8.3610 106.0881 47.6321 0.0000 175.6853 98 A 4.0242 8.4686 123.5649 54.6369 18.4914 179.4549 99 K 3.8306 8.0319 118.1485 59.9438 32.3063 178.6938 100 N 4.3889 8.0950 116.3867 56.2723 38.3886 177.2929 101 L 3.9969 8.1883 120.5316 57.9811 41.7476 179.7843 102 R 3.8991 8.2635 118.1222 59.1798 30.0274 178.6947 103 E 3.8276 8.0273 118.2550 59.3118 29.5971 178.7432 104 A 2.8929 7.7330 120.6509 54.8225 18.4267 179.6530 105 I 3.7188 8.0965 118.8613 64.3517 36.9294 178.8943 106 G 3.5909 7.7598 105.5689 47.9802 0.0000 174.8800 107 Y 4.1205 7.9843 122.0421 60.1610 38.8774 177.3866 108 A 3.7802 8.1943 122.1046 55.2874 18.4054 179.0447 109 D 4.1250 7.8166 116.0435 57.4343 41.1223 178.4625 110 S 4.1841 7.4730 112.6238 60.0458 63.2859 175.6523 111 V 3.9968 6.8375 114.0156 60.7420 31.6408 175.5891 112 H 2.7773 7.0795 114.2205 56.5943 26.9028 176.4653 113 D 4.5235 7.2892 121.4044 53.7326 37.9329 176.1201 114 Y 4.3180 7.5258 121.3716 60.5542 38.5025 177.8003 115 V 3.7316 7.8855 113.2047 64.2507 31.7403 178.5018 116 S 4.1963 8.3649 115.0527 61.4900 62.5820 176.6126 117 R 3.8896 8.0144 121.3705 59.5545 29.7658 178.0498 118 D 4.3209 8.3618 117.9070 57.5652 41.2734 177.8406 119 M 4.0051 8.2032 118.6968 59.0206 32.1737 178.1824 120 M 4.1787 8.2388 118.8609 58.2973 32.0756 178.8484 121 I 3.7321 8.1779 120.5706 64.2945 37.2478 178.2119 122 E 3.9765 8.0094 119.2456 59.4908 29.2246 179.5359 123 I 3.5583 7.5667 119.3004 64.2026 37.0675 178.1827 124 L 3.9548 8.1594 121.3992 58.1253 41.9976 178.9800 125 R 3.9043 8.1638 118.6481 59.6230 30.1596 178.2727 126 D 4.4384 8.1887 118.6740 57.4188 40.7976 178.6802 127 E 4.1383 8.4407 119.3112 59.5026 29.4630 179.2353 128 E 4.2611 8.7690 119.2338 59.1815 29.4662 179.5604 129 G 3.7007 8.0823 105.5525 48.1255 0.0000 175.2806 130 H 4.3923 8.1929 120.3024 59.0424 29.8611 177.2380 131 I 3.6956 8.3235 122.1338 64.4967 36.9472 177.7747 132 D 4.3375 8.3616 118.7081 57.0749 41.0031 178.0745 133 W 4.0968 8.2524 128.6914 60.4693 30.7472 177.6733 134 L 3.7684 8.4187 119.0844 58.0158 41.1305 179.3842 135 E 3.9011 8.4504 118.5950 59.7337 29.2929 179.7319 136 T 3.7483 7.8774 115.5593 66.5397 68.5411 176.5094 137 E 3.6802 7.7055 120.5803 59.4336 29.0495 179.4695 138 L 3.7569 7.6832 118.7586 57.8666 41.5479 179.4323 139 D 4.3415 7.9838 118.7962 57.2636 40.6605 178.7366 140 L 3.9461 8.0516 119.7408 57.7528 41.5861 179.5616 141 I 3.3674 7.3787 119.7568 64.3710 36.7437 178.2806 142 Q 3.9122 7.3324 117.8699 58.9944 28.9590 177.9013 143 K 4.1453 8.0771 119.1784 58.6546 32.3093 178.2887 144 M 4.3901 8.3228 114.9369 53.9354 32.5358 177.2431 145 G 4.1057 7.5614 105.6270 45.9750 0.0000 174.3981 146 L 3.9561 8.4101 121.5788 58.0140 42.1864 179.2444 147 Q 3.9724 8.1009 117.4764 59.3572 28.7244 178.7523 148 N 4.3482 8.1370 116.6829 56.3293 38.3768 176.6790 149 Y 3.9257 7.9087 120.0732 60.6165 39.1329 177.8528 150 L 4.0297 8.4460 120.1898 57.9443 41.6565 179.1551 151 Q 3.8834 8.0991 119.1347 59.2466 28.7170 178.0388 152 A 4.0962 7.7417 119.4517 53.6913 18.6984 178.3174 153 Q 4.2341 7.9200 116.3562 55.8999 29.2026 177.3144 154 I 4.1522 7.3174 112.7244 61.6022 38.2260 176.1909 155 R 4.6604 7.5526 119.6455 53.8247 32.4675 175.4794 156 E 4.2466 8.5687 119.4077 55.9770 30.5749 175.6173 157 E 4.4979 8.4177 117.7645 54.3904 31.7207 176.2489 *158 G 3.7099 8.5937 110.1360 45.8786 0.0000 172.3671 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 4.18 0.00 1.41 1.80 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 2 K 8.50 3.96 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.46 7.81 3 G 8.69 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 4 D 8.48 4.53 0.00 2.77 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 5 T 9.00 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 8.14 3.83 0.00 1.71 2.06 0.00 1.38 0.00 0.00 1.41 0.00 0.00 2.53 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.30 0.96 7.81 7 V 8.66 3.92 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 1.05 0.00 0.00 1.13 0.00 0.00 8 I 7.84 3.74 2.06 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 1.55 0.61 0.91 0.00 0.00 9 N 8.23 4.28 0.00 2.62 2.66 0.00 0.00 7.09 7.08 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 10 Y 8.06 4.05 0.00 3.22 2.93 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 11 L 8.50 3.88 0.00 2.03 1.77 1.10 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.55 4.40 0.00 2.76 2.81 0.00 0.00 6.69 7.84 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 13 K 8.12 3.87 0.00 1.82 1.96 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.44 7.81 14 L 8.16 3.80 0.00 0.78 1.17 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.77 3.98 0.00 1.69 1.84 1.01 1.13 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 8.18 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.01 4.35 0.00 2.92 2.89 0.00 0.00 7.09 7.64 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 18 E 8.37 4.01 0.00 2.22 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 0.00 2.73 2.86 0.00 19 L 8.18 4.00 0.00 1.79 1.68 0.90 1.04 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 20 V 7.66 3.47 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 1.08 0.00 0.00 0.91 0.00 0.00 21 A 7.88 3.24 0.82 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 0.00 0.00 22 I 8.00 3.56 1.96 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 1.53 0.99 0.85 0.00 0.00 23 N 7.79 4.36 0.00 2.78 2.83 0.00 0.00 6.76 8.32 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 24 Q 8.17 3.88 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.60 2.22 0.00 25 Y 8.28 4.61 0.00 3.03 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 26 F 8.45 3.82 0.00 3.42 3.12 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 27 L 8.22 3.95 0.00 1.95 1.60 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.34 3.83 0.00 3.47 2.99 0.00 5.70 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 8.08 4.06 1.26 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 0.00 0.00 0.00 30 R 7.63 3.85 0.00 1.75 1.87 0.00 3.24 0.00 0.00 3.06 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.66 0.00 31 M 7.74 3.45 0.00 1.01 1.63 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.18 0.00 32 F 7.56 4.64 0.00 3.29 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.25 3.94 0.00 2.07 1.89 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 34 N 7.96 4.24 0.00 2.66 2.65 0.00 0.00 7.35 8.60 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 35 W 7.99 4.83 0.00 3.75 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.51 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 8.20 4.74 0.00 1.88 1.62 1.21 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.93 3.87 0.00 2.02 1.81 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.57 7.81 39 R 8.12 3.90 0.00 2.12 2.00 0.00 3.55 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 40 L 7.76 4.05 0.00 1.69 1.12 1.09 0.26 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 41 N 8.33 4.44 0.00 3.10 3.01 0.00 0.00 7.21 8.05 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 42 D 8.20 4.40 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 7.64 3.36 1.82 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 -0.42 0.00 0.00 0.74 0.00 0.00 44 E 8.54 3.86 0.00 2.48 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 0.00 2.59 2.55 0.00 45 Y 8.40 3.95 0.00 2.92 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 46 H 8.38 4.10 0.00 3.26 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.13 3.83 0.00 2.10 1.82 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 1.63 1.77 0.00 48 S 8.16 4.22 0.00 4.10 4.02 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 49 I 7.58 3.57 1.82 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.83 0.00 0.00 50 D 7.95 4.27 0.00 2.98 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 51 E 8.21 4.07 0.00 2.02 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 0.00 2.73 2.52 0.00 52 M 7.87 4.03 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.53 0.00 53 K 8.08 3.91 0.00 1.88 1.81 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.63 7.81 54 H 8.05 4.10 0.00 3.41 3.31 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 8.34 4.23 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.29 4.29 0.00 2.91 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 57 R 7.92 3.86 0.00 1.82 1.76 0.00 3.13 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 58 Y 7.82 4.31 0.00 3.21 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 59 I 8.26 3.76 2.03 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 1.57 0.92 0.95 0.00 0.00 60 E 8.40 4.04 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 2.49 0.00 61 R 8.21 4.03 0.00 2.13 2.20 0.00 3.35 0.00 0.00 3.25 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 8.41 3.76 2.07 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 0.70 0.98 0.00 0.00 63 L 8.15 4.00 0.00 2.11 1.79 0.95 0.94 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 8.40 4.35 0.00 2.95 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 65 L 8.07 4.51 0.00 1.85 1.61 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.00 3.88 0.00 2.07 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 2.15 2.25 0.00 67 G 8.00 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 68 L 8.02 4.54 0.00 1.59 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 4.36 0.00 2.05 2.02 0.00 3.66 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 2.05 2.11 0.00 70 N 9.65 4.71 0.00 2.60 2.81 0.00 0.00 7.09 8.31 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 71 L 8.30 4.60 0.00 1.62 1.63 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.52 4.10 0.00 1.97 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 73 D 8.08 4.67 0.00 2.67 2.56 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 0.00 0.00 0.00 0.00 74 L 8.29 4.52 0.00 1.51 1.51 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.46 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 8.30 4.04 0.00 1.73 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 77 L 8.30 4.26 0.00 1.65 1.57 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.77 4.81 0.00 2.65 2.74 0.00 0.00 7.14 7.25 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 79 I 8.11 4.24 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.95 0.95 0.00 0.00 80 G 8.77 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 81 E 8.62 4.74 0.00 1.97 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 0.00 2.33 2.28 0.00 82 D 7.70 4.91 0.00 2.75 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 83 V 8.42 4.01 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 1.16 0.00 0.00 1.20 0.00 0.00 84 E 8.24 3.86 0.00 2.00 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 2.34 2.27 0.00 85 E 8.40 3.97 0.00 2.41 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 0.00 2.36 2.39 0.00 86 M 8.27 4.05 0.00 1.80 2.42 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.40 0.00 87 L 8.21 4.14 0.00 2.02 1.71 1.23 0.75 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 88 R 8.40 3.93 0.00 1.86 2.00 0.00 3.12 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 1.64 1.84 0.00 89 S 8.35 4.16 0.00 4.04 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 90 D 8.44 4.69 0.00 3.06 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 91 L 8.23 3.94 0.00 1.84 1.89 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.36 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.12 3.98 0.00 1.98 2.05 0.93 0.70 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 94 E 8.61 4.12 0.00 2.25 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 2.69 2.49 0.00 95 L 8.17 4.03 0.00 2.05 1.75 0.95 0.95 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 8.37 4.51 0.00 2.87 2.74 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 0.00 0.00 0.00 0.00 97 G 8.36 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 98 A 8.47 4.02 1.42 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 0.00 0.00 99 K 8.03 3.83 0.00 2.13 1.90 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.66 7.81 100 N 8.09 4.39 0.00 3.00 2.90 0.00 0.00 7.11 6.71 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 0.00 101 L 8.19 4.00 0.00 1.97 1.75 0.99 1.36 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 0.00 102 R 8.26 3.90 0.00 1.97 1.98 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 103 E 8.03 3.83 0.00 2.08 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 2.33 2.38 0.00 104 A 7.73 2.89 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.10 3.72 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 1.47 0.97 0.92 0.00 0.00 106 G 7.76 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 0.00 0.00 0.00 107 Y 7.98 4.12 0.00 3.17 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 0.00 108 A 8.19 3.78 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 0.00 109 D 7.82 4.13 0.00 2.87 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 0.00 110 S 7.47 4.18 0.00 4.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 6.84 4.00 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 0.49 0.00 0.00 0.64 0.00 0.00 112 H 7.08 2.78 0.00 3.15 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.29 4.52 0.00 2.63 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 0.00 114 Y 7.53 4.32 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 0.00 115 V 7.89 3.73 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 0.96 0.00 0.00 0.97 0.00 0.00 116 S 8.36 4.20 0.00 4.17 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 0.00 117 R 8.01 3.89 0.00 1.91 2.20 0.00 3.33 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 1.68 0.00 118 D 8.36 4.32 0.00 2.97 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 0.00 119 M 8.20 4.01 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 120 M 8.24 4.18 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.84 0.00 121 I 8.18 3.73 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 1.54 0.83 0.92 0.00 0.00 122 E 8.01 3.98 0.00 2.09 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 2.32 2.50 0.00 123 I 7.57 3.56 1.94 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.53 0.74 0.00 0.00 124 L 8.16 3.95 0.00 1.85 1.85 0.95 1.02 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 8.16 3.90 0.00 2.07 2.13 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 126 D 8.19 4.44 0.00 3.01 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 0.00 127 E 8.44 4.14 0.00 2.15 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 0.00 2.67 2.57 0.00 128 E 8.77 4.26 0.00 2.03 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 2.37 2.52 0.00 129 G 8.08 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.39 0.00 3.38 3.56 0.00 5.62 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 8.32 3.70 2.06 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 1.45 0.68 0.94 0.00 0.00 132 D 8.36 4.34 0.00 2.95 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 0.00 133 W 8.25 4.10 0.00 3.52 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.42 3.77 0.00 2.00 1.70 1.18 1.11 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 0.00 135 E 8.45 3.90 0.00 2.09 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 2.31 2.49 0.00 136 T 7.88 3.75 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 1.14 0.00 0.00 137 E 7.71 3.68 0.00 1.49 1.57 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 1.47 1.47 0.00 138 L 7.68 3.76 0.00 1.69 1.60 0.86 0.84 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 0.00 139 D 7.98 4.34 0.00 2.77 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 0.00 140 L 8.05 3.95 0.00 1.83 1.82 0.92 1.07 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 0.00 141 I 7.38 3.37 1.71 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 -0.36 0.71 0.00 0.00 142 Q 7.33 3.91 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 143 K 8.08 4.15 0.00 1.79 1.83 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.47 7.81 144 M 8.32 4.39 0.00 2.17 2.19 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 2.65 2.86 0.00 145 G 7.56 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 0.00 0.00 0.00 0.00 146 L 8.41 3.96 0.00 1.74 1.66 0.94 0.69 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 0.00 147 Q 8.10 3.97 0.00 2.13 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 2.44 2.46 0.00 148 N 8.14 4.35 0.00 2.96 2.88 0.00 0.00 6.67 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 7.91 3.93 0.00 3.00 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 0.00 150 L 8.45 4.03 0.00 2.00 1.68 1.03 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 0.00 151 Q 8.10 3.88 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 152 A 7.74 4.10 1.18 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 0.00 0.00 153 Q 7.92 4.23 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 154 I 7.32 4.15 1.87 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 1.56 1.20 1.00 0.00 0.00 155 R 7.55 4.66 0.00 1.77 1.84 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 1.51 1.56 0.00 156 E 8.57 4.25 0.00 2.07 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 2.27 2.29 0.00 157 E 8.42 4.50 0.00 2.07 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 2.18 2.27 0.00 *158 G 8.59 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.