NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1446 8.1627 120.2817 54.8173 33.2537 173.9003 2 K 3.9408 8.4449 128.0389 55.8058 32.5141 175.1154 3 G 3.9560 8.7243 115.9710 45.2097 0.0000 171.5135 4 D 4.5778 8.4986 119.6846 54.3983 42.0532 177.1981 5 T 3.8776 8.8027 122.6638 66.7818 68.6190 176.8473 6 K 3.8582 8.1655 121.0211 59.0815 32.2113 178.8685 7 V 3.9049 8.6479 119.0545 66.1804 31.4433 177.8746 8 I 3.7514 7.7006 119.2126 64.7111 36.8935 178.1080 9 N 4.2688 8.2037 117.0282 56.4188 38.2961 177.0928 10 Y 4.0966 7.9904 118.0454 61.1411 38.0022 178.5830 11 L 3.9217 8.4855 120.2701 57.9446 41.6395 179.4321 12 N 4.3414 8.5369 116.8106 56.0583 38.4213 177.4556 13 K 3.8833 8.1765 121.3285 59.3060 32.2888 178.9331 14 L 3.8070 8.1724 119.7340 57.5651 41.3811 178.9555 15 L 4.0014 7.7776 120.7869 58.3188 42.0330 179.2916 16 G 3.6080 8.1563 105.5539 47.9181 0.0000 175.3706 17 N 4.3849 8.0505 118.8247 56.1674 38.5848 177.4248 18 E 4.1131 8.2316 119.9994 59.3628 29.4499 179.2929 19 L 4.0378 8.2686 119.3840 57.7141 41.6008 179.7608 20 V 3.5657 7.7450 117.5037 66.0592 31.5141 177.9541 21 A 3.8296 8.0877 120.4288 55.0055 18.2015 179.3282 22 I 3.7531 8.3738 118.7272 64.9970 37.2856 178.3752 23 N 4.3942 7.9177 116.9953 56.3855 38.4023 177.4383 24 Q 3.8490 8.2634 121.1388 59.3261 29.0845 177.8407 25 Y 4.3525 8.4030 118.3210 60.9263 37.8872 178.1953 26 F 3.8543 8.5058 121.6712 61.0520 39.5095 176.8175 27 L 3.9408 8.1427 119.9561 58.5721 41.8485 178.4267 28 H 3.7866 8.1644 115.7376 58.8281 28.6206 177.2177 29 A 4.1485 8.2918 122.6875 55.7089 18.1586 179.9058 30 R 3.8468 7.7881 115.4989 58.6389 30.0714 179.2585 31 M 3.4321 7.8807 119.4409 58.1313 31.8413 178.4460 32 F 4.5525 7.4367 117.8872 60.5865 39.1296 177.5693 33 K 3.9039 8.2440 119.2094 59.5591 31.7583 178.1899 34 N 4.2815 7.8749 115.8511 56.5746 39.0310 176.4784 35 W 4.7417 7.9306 117.6618 57.5962 29.3967 177.2065 36 G 3.9793 8.3141 108.0223 46.2618 0.0000 174.2989 37 L 4.6646 8.0509 121.9230 52.7661 38.2004 177.0501 38 K 3.8351 7.9437 122.9746 59.8588 32.6884 177.5642 39 R 3.9406 8.3243 119.0176 59.1142 29.9111 178.3280 40 L 4.1047 7.9006 118.8549 57.0231 41.5109 178.8029 41 N 4.5290 8.1430 116.8355 56.8131 39.0519 176.3555 42 D 4.3313 8.0011 120.2443 57.4301 40.9463 179.1423 43 V 3.4441 7.6484 118.1584 66.1418 31.4895 177.9941 44 E 3.9049 8.4785 118.5234 59.2514 29.2830 178.6711 45 Y 3.8606 8.2330 119.8672 61.1628 38.7939 178.1093 46 H 4.1958 8.3281 116.4495 58.3237 28.6877 177.5069 47 E 3.6901 7.7672 120.8232 58.5181 29.2176 178.7724 48 S 4.1072 7.8817 113.5620 61.5927 62.4133 176.2621 49 I 3.5742 7.3702 122.2432 64.3667 36.7941 177.9700 50 D 4.2543 7.6634 119.6021 57.6827 40.7120 179.0012 51 E 4.1948 8.1669 118.7193 59.4498 29.3279 179.3740 52 M 4.0770 8.0533 118.9771 58.3734 32.0258 178.8499 53 K 3.9352 8.1848 118.6942 59.6816 32.1753 179.1250 54 H 4.0921 8.1630 116.1950 58.7884 28.5976 177.5125 55 A 4.2285 8.5049 122.9651 55.3781 18.1414 179.0310 56 D 4.3017 8.3066 116.4614 57.7361 41.2781 178.7637 57 R 3.8707 7.9200 118.3975 59.4440 30.0221 178.7133 58 Y 4.2953 7.8632 116.4670 61.1928 37.8962 178.6019 59 I 3.8015 8.2683 121.1033 64.6160 37.2392 178.4400 60 E 4.0803 8.5246 119.5514 59.1103 29.2001 179.4938 61 R 4.0228 8.0294 118.9103 59.5417 30.1860 178.3461 62 I 3.7657 8.4051 119.9741 64.7048 37.1778 178.3974 63 L 4.0162 8.0546 119.5463 57.7002 41.2028 179.4012 64 F 4.3633 8.1415 119.7519 61.2247 39.7103 176.5503 65 L 4.4073 8.2159 117.7777 54.0937 41.1074 177.2415 66 E 3.9059 7.9771 117.6250 57.3894 27.0195 174.4536 67 G 3.9696 8.0769 108.6835 44.0099 0.0000 173.5993 68 L 4.5344 8.0209 119.1664 52.0027 42.0629 175.0876 69 P 4.3871 0.0000 0.0000 62.5413 31.7788 175.9762 70 N 4.7304 9.4838 122.0723 52.3959 38.8846 173.9251 71 L 4.6334 8.3433 124.2168 54.5586 42.5050 177.4315 72 Q 4.1209 8.5087 121.9517 58.0542 29.3667 175.8689 73 D 4.6477 8.0651 117.4006 52.8625 41.7886 175.2133 74 L 4.5654 8.3105 125.8958 52.7424 43.9282 176.4037 75 G 3.8074 8.4330 115.3925 44.6271 0.0000 171.9244 76 K 4.0789 8.3058 120.7357 55.8284 32.3783 176.6199 77 L 4.1041 8.3349 126.7358 54.4967 42.2727 176.3031 78 N 4.8077 8.8948 120.6317 52.0018 40.1825 174.3543 79 I 3.8427 8.5017 126.5182 64.0888 37.7100 178.2427 80 G 4.1624 8.2390 102.2822 45.8260 0.0000 172.5685 81 E 4.7947 8.5848 115.8747 55.4660 31.8971 176.3578 82 D 5.0148 7.7220 117.7328 50.3809 43.9809 175.9294 83 V 3.9940 8.5428 119.1058 66.7213 31.3143 177.4475 84 E 3.8603 8.2650 117.9075 59.5813 29.4730 178.3210 85 E 3.9862 8.5565 119.2181 59.5633 29.6444 178.7221 86 M 4.1197 8.3455 117.1671 58.2557 31.3677 178.5932 87 L 4.1319 8.5215 120.5687 57.6088 41.7435 179.4069 88 R 3.8935 8.4827 119.1400 59.4410 30.0542 178.5717 89 S 4.0967 8.1890 113.0384 61.3482 62.4077 175.7928 90 D 4.2318 8.1766 121.7089 57.1629 40.5852 178.4878 91 L 3.9941 8.2201 120.6168 58.2781 42.1643 178.8273 92 A 4.0240 8.2301 120.8141 55.1660 18.2406 179.4135 93 L 3.9368 7.9102 118.6552 58.2458 42.1087 179.0670 94 E 4.0600 8.3904 118.6390 59.3557 29.5371 179.1824 95 L 4.0327 8.0852 119.0258 58.1320 41.8133 179.4558 96 D 4.5217 8.3320 118.8544 57.2012 40.7045 179.0971 97 G 3.6435 8.3137 106.2808 47.5550 0.0000 175.7600 98 A 4.0499 8.5133 123.6000 54.6336 18.4898 179.5044 99 K 3.8340 7.9782 117.9045 59.9703 32.2855 178.6841 100 N 4.3910 8.0766 116.3320 56.3600 38.3915 177.3844 101 L 3.9885 8.1282 120.3171 57.8726 41.5823 179.7819 102 R 3.8952 8.2320 118.1663 59.1130 30.0681 178.7674 103 E 3.8485 8.0707 118.4772 59.2999 29.6210 178.7783 104 A 2.8543 7.8452 120.8346 54.7132 18.4174 179.6263 105 I 3.7136 7.9261 118.6394 64.4901 36.9477 178.8984 106 G 3.5978 7.5847 105.4784 47.8764 0.0000 174.8877 107 Y 4.1835 7.9781 122.5443 59.7179 38.8850 177.3939 108 A 3.8285 8.2616 122.1156 55.1998 18.4524 179.0412 109 D 4.1048 7.8938 116.3934 57.4613 41.4267 178.5431 110 S 4.1506 7.7362 113.9163 60.1190 62.9521 175.6491 111 V 4.0540 6.8290 113.8630 60.7357 31.6361 175.6149 112 H 2.8414 7.0332 114.0819 56.6283 27.0639 176.4677 113 D 4.5416 7.3665 121.0997 53.5315 37.5891 176.2799 114 Y 4.3411 7.4158 121.3489 60.6141 38.3939 178.3102 115 V 3.7406 7.8482 119.9800 64.7483 31.8493 178.3056 116 S 4.1652 8.3031 115.7080 61.4604 62.6035 176.7192 117 R 3.9028 8.1205 121.1624 59.4836 29.9690 178.1207 118 D 4.3023 8.2605 117.8815 57.5246 41.3384 177.7387 119 M 4.0009 8.3737 119.0790 59.0716 32.1273 178.1770 120 M 4.1517 8.1920 118.7920 58.3605 32.1042 178.8348 121 I 3.7249 8.1603 120.4564 64.2270 37.2733 178.2152 122 E 3.9549 8.0769 119.1770 59.5781 29.2627 179.5694 123 I 3.5526 7.5390 119.5541 64.1184 37.0923 178.1466 124 L 3.9337 8.1400 121.4449 58.1493 41.9920 179.0066 125 R 3.8916 8.0164 118.5722 59.6425 30.0774 178.2377 126 D 4.3658 8.0428 118.5193 57.3879 40.7623 178.7175 127 E 3.9489 8.2993 119.2980 59.3361 29.4661 178.9334 128 E 4.2030 8.7760 120.0037 59.0978 29.6184 179.1625 129 G 3.6394 7.9590 105.6096 48.0784 0.0000 175.4518 130 H 4.5658 8.1062 118.7010 58.6576 28.6755 177.7846 131 I 3.7960 8.3557 122.0625 64.5833 37.0112 177.7320 132 D 4.3607 8.3083 118.6621 57.3807 41.0142 178.0437 133 F 4.1981 8.3450 120.8941 61.3950 39.3821 177.0084 134 L 3.7406 8.2278 118.4031 57.8473 41.5059 179.3094 135 E 3.9168 8.3513 118.5482 59.7302 29.3497 179.6534 136 T 3.8067 7.9103 115.4826 66.6343 68.5487 176.3568 137 E 3.8751 7.7822 120.3257 59.5773 29.1976 179.5231 138 L 3.8002 7.8674 118.8081 57.9306 41.5555 179.4477 139 D 4.3886 8.1458 118.7621 57.1891 40.6375 178.7337 140 L 3.9749 8.0501 119.6867 57.8061 41.7017 179.4336 141 I 3.3980 7.4804 119.6863 64.5665 36.7512 178.5233 142 Q 3.9782 7.3721 116.1828 58.7736 28.6493 178.4941 143 K 4.1477 8.2242 119.2120 58.8588 32.2635 178.4153 144 M 4.4026 8.3286 114.6238 53.9021 32.5484 177.0617 145 G 4.1222 7.5720 105.9482 46.0275 0.0000 174.3999 146 L 3.9667 8.4430 121.8651 58.0397 42.1514 179.3634 147 Q 3.9892 8.0813 117.4163 59.3339 28.8625 178.6917 148 N 4.3761 8.1460 116.7802 56.3041 38.3759 176.7224 149 Y 3.9946 8.0080 120.2132 60.6206 39.1579 177.8017 150 L 4.0635 8.4673 120.2994 57.9601 41.6451 179.2425 151 Q 3.8972 8.1089 119.1586 59.1039 28.7239 177.8206 152 A 4.1322 7.5460 119.2775 53.5187 18.7041 178.2781 153 Q 4.2211 7.7900 116.0017 55.8151 29.0777 177.7129 154 I 3.9175 7.2387 120.9804 63.1233 37.4047 176.6043 155 R 4.6305 7.5178 117.4519 53.9108 31.9593 175.9227 156 E 4.1143 8.4033 119.0791 56.0090 30.4751 175.8158 157 E 4.0981 8.4992 121.8870 55.2688 30.5022 176.5273 *158 G 3.7271 8.5979 114.1318 45.8882 0.0000 172.1826 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 -0.23 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 3.94 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 2.88 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.72 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 4 D 8.50 4.58 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 8.80 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 8.17 3.86 0.00 1.71 1.92 0.00 1.44 0.00 0.00 1.08 0.00 0.00 2.50 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.72 0.99 7.81 7 V 8.65 3.90 2.37 0.00 0.00 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 0.00 0.00 1.19 0.00 0.00 8 I 7.70 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 0.55 0.91 0.00 0.00 9 N 8.20 4.27 0.00 2.59 2.67 0.00 0.00 7.07 6.76 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 10 Y 7.99 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 8.49 3.92 0.00 2.01 1.77 1.10 0.79 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 6.67 7.71 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 13 K 8.18 3.88 0.00 1.75 2.01 0.00 1.59 0.00 0.00 1.62 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 3.81 0.00 0.95 1.17 0.94 0.47 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 7.78 4.00 0.00 1.68 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 8.16 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.05 4.38 0.00 2.97 2.91 0.00 0.00 7.04 7.79 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 18 E 8.23 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 8.27 4.04 0.00 1.83 1.72 0.95 1.12 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 7.75 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 0.97 0.00 0.00 21 A 8.09 3.83 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.37 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 1.56 1.13 0.90 0.00 0.00 23 N 7.92 4.39 0.00 2.84 2.85 0.00 0.00 6.76 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.26 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 2.18 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 8.51 3.85 0.00 3.40 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 27 L 8.14 3.94 0.00 1.96 1.59 0.88 0.87 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 28 H 8.16 3.79 0.00 3.50 3.28 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 8.29 4.15 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 30 R 7.79 3.85 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 1.76 0.00 31 M 7.88 3.43 0.00 0.85 1.51 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 2.42 2.15 0.00 32 F 7.44 4.55 0.00 3.30 3.21 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 0.00 33 K 8.24 3.90 0.00 2.07 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 7.87 4.28 0.00 2.69 2.67 0.00 0.00 7.33 7.52 0.00 0.00 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 7.93 4.74 0.00 3.72 3.19 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 36 G 8.31 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 8.05 4.66 0.00 2.17 1.64 1.07 0.79 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 7.94 3.84 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 1.56 7.81 39 R 8.32 3.94 0.00 2.08 1.96 0.00 3.48 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 1.02 1.02 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.14 4.53 0.00 3.09 3.00 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 7.65 3.44 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 -0.05 0.00 0.00 0.81 0.00 0.00 44 E 8.48 3.90 0.00 2.28 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 0.00 2.64 3.08 0.00 45 Y 8.23 3.86 0.00 2.93 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 4.20 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 7.77 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 1.75 1.90 0.00 48 S 7.88 4.11 0.00 4.02 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 49 I 7.37 3.57 1.72 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.46 0.85 0.00 0.00 50 D 7.66 4.25 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 2.12 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 2.82 0.00 52 M 8.05 4.08 0.00 2.04 2.24 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 2.80 2.56 0.00 53 K 8.18 3.94 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 1.43 1.65 7.81 54 H 8.16 4.09 0.00 3.54 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 8.50 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 8.31 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 7.92 3.87 0.00 1.83 1.78 0.00 3.14 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 1.59 1.75 0.00 58 Y 7.86 4.30 0.00 3.23 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 8.27 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 0.79 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 8.03 4.02 0.00 2.14 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 8.41 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 0.75 0.96 0.00 0.00 63 L 8.05 4.02 0.00 2.11 1.80 0.95 1.05 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 8.14 4.36 0.00 2.98 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 65 L 8.22 4.41 0.00 1.69 1.62 1.04 0.62 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 7.98 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 2.15 2.26 0.00 67 G 8.08 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 4.39 0.00 2.06 2.02 0.00 3.66 0.00 0.00 3.82 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 9.48 4.73 0.00 2.59 2.79 0.00 0.00 7.07 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 71 L 8.34 4.63 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 8.51 4.12 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.07 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 1.12 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 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 4.08 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 4.10 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 8.89 4.81 0.00 2.60 2.69 0.00 0.00 7.20 7.52 0.00 0.00 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 0.93 0.00 0.00 80 G 8.24 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 81 E 8.58 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 5.01 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 1.24 0.00 0.00 1.28 0.00 0.00 84 E 8.26 3.86 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 3.99 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 8.35 4.12 0.00 2.30 1.75 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.96 0.00 87 L 8.52 4.13 0.00 2.04 1.79 1.23 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.48 3.89 0.00 2.12 1.94 0.00 3.09 0.00 0.00 3.09 7.57 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 8.19 4.10 0.00 4.03 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 8.18 4.23 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 8.22 3.99 0.00 1.81 1.88 0.97 0.86 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 8.23 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 7.91 3.94 0.00 1.88 1.79 0.90 0.80 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 8.39 4.06 0.00 2.26 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 2.60 2.70 0.00 95 L 8.09 4.03 0.00 2.05 1.74 0.96 0.99 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 96 D 8.33 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 8.31 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 8.51 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.98 3.83 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 8.08 4.39 0.00 3.00 2.91 0.00 0.00 7.13 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 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 8.23 3.90 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 1.96 0.00 103 E 8.07 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 2.36 2.37 0.00 104 A 7.85 2.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 1.17 0.91 0.00 0.00 106 G 7.58 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 7.98 4.18 0.00 3.15 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 0.00 108 A 8.26 3.83 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 0.00 109 D 7.89 4.10 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 4.15 0.00 3.98 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 6.83 4.05 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 0.52 0.00 0.00 0.63 0.00 0.00 112 H 7.03 2.84 0.00 3.18 3.31 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 7.37 4.54 0.00 2.64 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 7.42 4.34 0.00 3.10 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 0.00 115 V 7.85 3.74 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 1.07 0.00 0.00 0.98 0.00 0.00 116 S 8.30 4.17 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 8.12 3.90 0.00 1.91 2.21 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 1.67 0.00 118 D 8.26 4.30 0.00 2.98 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 8.37 4.00 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 8.19 4.15 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.23 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 0.73 0.91 0.00 0.00 122 E 8.08 3.95 0.00 2.28 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 2.32 2.34 0.00 123 I 7.54 3.55 1.91 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 1.03 0.48 0.74 0.00 0.00 124 L 8.14 3.93 0.00 1.85 1.87 0.94 1.02 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 0.00 125 R 8.02 3.89 0.00 2.04 2.11 0.00 3.15 0.00 0.00 3.16 7.55 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 8.04 4.37 0.00 2.98 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 8.30 3.95 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 2.61 2.51 0.00 128 E 8.78 4.20 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 2.33 2.36 0.00 129 G 7.96 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 8.11 4.57 0.00 3.53 3.59 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 8.36 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 8.31 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 4.20 0.00 3.26 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 0.00 134 L 8.23 3.74 0.00 1.94 1.73 1.28 1.15 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 2.14 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 2.34 2.49 0.00 136 T 7.91 3.81 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 7.78 3.88 0.00 1.78 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 1.77 0.00 138 L 7.87 3.80 0.00 1.73 1.63 0.90 1.03 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 0.00 139 D 8.15 4.39 0.00 2.79 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 8.05 3.97 0.00 1.91 1.87 1.01 0.68 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 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.10 0.73 0.00 0.00 142 Q 7.37 3.98 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 8.33 4.40 0.00 2.18 2.20 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 2.61 2.86 0.00 145 G 7.57 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 8.08 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 8.01 3.99 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 8.47 4.06 0.00 2.01 1.69 1.06 0.92 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 3.90 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 2.36 0.00 152 A 7.55 4.13 1.23 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 0.00 0.00 153 Q 7.79 4.22 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.76 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 154 I 7.24 3.92 1.96 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 8.40 4.11 0.00 2.06 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 2.26 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.