NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1611 8.1627 120.2748 54.6988 33.1373 173.9863 2 K 4.0265 8.4812 128.4394 56.1215 32.6231 175.1902 3 G 3.9872 8.8374 116.1009 44.9807 0.0000 171.8471 4 D 4.5696 8.4802 119.6769 54.3764 41.9781 177.1480 5 T 3.8741 8.8360 122.7634 66.8053 68.5806 176.7196 6 K 3.8749 8.1656 120.9649 58.9810 32.2317 178.9009 7 V 3.8999 8.3448 118.8945 66.1847 31.4329 177.8309 8 I 3.7473 7.7878 119.4622 64.6665 36.9936 178.0384 9 N 4.2308 8.1598 116.9625 56.5226 38.2640 176.9650 10 Y 4.1443 7.9465 117.9406 61.2175 38.0108 178.7635 11 L 3.9316 8.5306 120.1537 58.0042 41.6509 179.4663 12 N 4.3962 8.4597 116.6247 55.9226 38.4220 177.4818 13 K 3.8630 8.1011 121.1528 59.4138 32.3444 178.9551 14 L 3.7960 7.9961 119.5871 57.4620 41.3714 178.9071 15 L 3.9415 7.6755 120.8323 58.3264 42.0159 179.2037 16 G 3.6621 8.1538 105.4279 47.9471 0.0000 175.1809 17 N 4.3340 8.1014 118.7426 56.2384 38.5697 177.2820 18 E 4.1027 8.2510 119.7770 59.5155 29.2772 179.4706 19 L 4.0277 8.2469 119.2111 57.6302 41.6197 179.7565 20 V 3.5744 7.7687 117.6972 66.0629 31.4693 177.9427 21 A 3.8732 8.0896 120.4375 55.0404 18.1684 179.4238 22 I 3.7630 8.2305 118.7519 64.9238 37.2700 178.4037 23 N 4.3906 7.8733 116.7164 56.2871 38.2978 177.4629 24 Q 3.8096 8.2199 120.9681 59.4232 29.1156 177.6354 25 Y 4.3447 8.0867 118.0127 61.1072 38.0023 178.6611 26 F 3.8878 8.4631 121.5323 61.0439 39.5081 176.8421 27 L 3.9606 8.1649 119.9974 58.6183 41.8349 178.4838 28 H 3.7584 8.3129 115.9195 58.7851 28.5786 177.2697 29 A 4.1686 8.1952 122.6041 55.6965 18.1538 179.8961 30 R 3.8230 7.6861 115.3212 58.7361 30.1418 179.2264 31 M 3.3992 7.8026 119.1484 58.1012 31.7619 178.5143 32 F 4.5659 7.4605 117.8930 60.5236 39.1091 177.5334 33 K 3.8816 8.2740 119.2880 59.6281 31.7809 177.9409 34 N 4.2267 8.0507 116.1152 56.7910 38.9080 176.2963 35 W 4.7710 7.9625 117.2352 57.6895 29.4050 177.2634 36 G 4.0048 8.3770 108.2975 45.8011 0.0000 174.0712 37 L 4.6743 8.1700 122.4382 52.5425 38.2536 176.7786 38 K 3.8036 7.9154 123.9002 59.8969 32.5829 177.5472 39 R 3.9017 8.2249 118.7852 59.3690 29.9505 178.4928 40 L 4.0982 7.7716 118.4509 57.3895 41.6290 178.5229 41 N 4.5341 8.1931 117.0622 56.9752 38.9265 176.6381 42 D 4.3090 8.0496 120.1103 57.3632 40.9106 179.0647 43 V 3.2667 7.5102 118.2370 65.9669 31.4432 178.0172 44 E 3.9020 8.3025 118.4266 59.2815 29.3139 178.6708 45 Y 3.8823 8.1841 119.7814 60.9035 38.8526 177.5588 46 H 3.9123 8.1422 118.9913 59.3211 29.9020 176.8830 47 E 3.4101 8.1212 120.6384 59.1623 29.0496 179.2167 48 S 4.1042 7.7601 113.0264 61.5975 62.4482 176.3719 49 I 3.5454 7.3562 122.2638 64.2734 36.7712 177.9808 50 D 4.1967 7.8730 119.7596 57.6147 40.6654 178.9655 51 E 4.1814 8.0968 118.8094 59.5018 29.3441 179.3042 52 M 4.0775 8.0306 118.9048 58.3486 32.0167 178.8511 53 K 3.9087 8.0892 118.5710 59.7318 32.2003 179.1072 54 H 4.1129 8.2264 116.1295 58.8220 28.5904 177.6121 55 A 4.2624 8.5465 122.9684 55.3160 18.1669 179.0514 56 D 4.2892 8.3538 116.5946 57.6609 41.2963 178.7136 57 R 3.8591 7.9178 118.4157 59.4094 30.0514 178.5960 58 Y 4.2853 7.7790 116.3444 61.2286 37.9343 178.7144 59 I 3.7584 8.1514 120.8220 64.7244 37.2805 178.4465 60 E 4.0638 8.4384 119.3445 59.1704 29.1946 179.5484 61 R 4.0000 8.1755 118.8422 59.5426 30.2618 178.3121 62 I 3.7670 8.3532 120.0013 64.6676 37.1861 178.3727 63 L 4.0160 8.0480 119.4279 57.7608 41.2541 179.2112 64 F 4.3388 8.1865 119.3937 61.3795 39.5697 176.4719 65 L 4.6103 8.0018 117.3553 54.0049 41.2428 177.1974 66 E 3.9263 7.9765 117.6588 57.3893 27.0064 174.6003 67 G 3.9302 8.2431 108.8415 44.1466 0.0000 173.7122 68 L 4.5493 8.0082 119.0476 51.9570 42.2191 175.1084 69 P 4.3748 0.0000 0.0000 62.6302 31.7600 175.9924 70 N 4.6918 9.5180 122.1946 52.4717 38.6098 174.1220 71 L 4.6282 8.3035 124.2471 54.5425 42.6104 177.5078 72 Q 4.1000 8.5562 121.8402 58.2167 29.3089 175.8883 73 D 4.6602 8.0876 117.1836 52.8398 41.8668 175.2635 74 L 4.5671 8.3090 125.6363 52.7911 43.9981 176.4723 75 G 3.8297 8.4261 115.5456 44.6263 0.0000 171.7646 76 K 4.1182 8.3021 120.6527 55.8042 32.5790 176.6372 77 L 4.2126 8.3084 126.4284 54.3666 42.3852 176.4055 78 N 4.8301 8.6338 120.7223 51.7173 39.5392 174.4397 79 I 3.7866 8.3387 125.2584 64.0565 37.6594 178.1705 80 G 4.4136 8.2260 102.5968 45.4174 0.0000 172.7229 81 E 4.7781 8.7599 116.8856 55.5779 31.9427 176.1975 82 D 4.9814 7.7159 117.7635 50.2766 44.0088 176.1281 83 V 4.0521 8.5000 119.2325 66.6182 31.3497 177.6850 84 E 3.8666 8.1903 118.1234 59.3256 29.4307 178.1753 85 E 3.9513 8.4385 119.4389 59.4607 29.6868 178.7008 86 M 4.2148 8.3490 117.1833 58.3321 31.3539 178.5935 87 L 4.1679 8.3280 120.2256 57.7085 41.8003 179.6917 88 R 3.9650 8.3124 118.2423 59.2093 29.9376 179.1149 89 S 4.1421 8.1372 113.0125 61.3613 62.3796 175.8736 90 D 4.2064 8.1914 121.6879 57.1609 40.5268 178.4498 91 L 3.9780 8.1356 120.4589 58.2595 42.1819 178.6059 92 A 3.9900 8.3981 121.0469 55.3539 18.2719 179.3869 93 L 3.9169 7.9470 118.5300 58.2852 42.0797 179.0076 94 E 4.0720 8.4007 118.5959 59.4499 29.4222 179.3506 95 L 4.0234 8.1773 119.0429 58.0048 41.7154 179.3703 96 D 4.4903 8.3053 118.9582 57.3365 40.7651 179.1346 97 G 3.6412 8.3387 106.0890 47.6401 0.0000 175.7036 98 A 4.0680 8.4345 123.4687 54.6332 18.5050 179.4778 99 K 3.8434 8.0623 118.2378 59.9525 32.2682 178.7035 100 N 4.4075 8.1363 116.5243 56.2804 38.3495 177.3365 101 L 4.0006 8.0413 120.3094 57.9520 41.8629 179.8047 102 R 3.8923 8.1127 117.8997 59.0905 29.9770 178.7313 103 E 3.8487 8.0593 118.3560 59.2792 29.6355 178.7016 104 A 2.7977 7.7457 120.7038 54.8559 18.2292 179.6548 105 I 3.7235 8.0132 118.6994 64.4027 36.9370 178.8961 106 G 3.5981 7.6864 105.2428 47.9038 0.0000 174.8880 107 Y 4.0867 7.9091 121.8034 60.2988 38.7915 177.4376 108 A 3.8118 8.2247 122.1302 55.2913 18.3752 179.0323 109 D 4.1244 7.7764 116.4368 57.5296 41.1088 178.7168 110 S 4.0930 7.4891 113.0176 60.3638 63.1157 175.7433 111 V 3.9501 6.8272 113.3115 60.4878 31.6601 175.3966 112 H 2.7713 7.0228 114.2628 56.7917 26.7397 176.2823 113 D 4.4999 7.4468 121.6450 53.6679 38.4476 175.8679 114 Y 4.3685 7.6211 121.8530 60.0218 38.4057 177.4756 115 V 3.7239 7.8555 120.1242 64.6410 31.7787 178.3653 116 S 4.1417 8.1983 115.4047 61.3559 62.6197 176.5516 117 R 3.8762 7.9597 121.2155 59.5327 29.9453 177.9261 118 D 4.3114 8.3481 117.8527 57.5569 41.2294 177.7115 119 M 3.9495 8.1897 118.6976 59.2160 32.2007 178.2078 120 M 4.1459 8.3007 118.6867 58.3223 32.0774 178.8946 121 I 3.7490 8.1741 120.5855 64.2070 37.3046 178.2264 122 E 3.9603 8.0802 119.2395 59.5357 29.2400 179.5080 123 I 3.5135 7.6800 119.7766 64.1887 37.0368 178.2698 124 L 3.9375 8.0999 121.2992 58.0016 41.9310 178.8909 125 R 3.8852 8.0725 118.6990 59.6163 30.0283 178.2080 126 D 4.3477 8.0074 118.3959 57.4776 40.8324 178.6875 127 E 4.0131 8.3463 119.2267 59.5111 29.4394 179.3220 128 E 4.3611 8.7572 119.1442 59.0704 29.4247 179.6735 129 G 3.6514 7.9317 105.6588 48.0546 0.0000 175.5251 130 H 4.5667 8.2918 118.7922 58.7340 28.6961 177.7616 131 I 3.8134 8.4008 121.9868 64.6328 37.0273 177.8106 132 D 4.3636 8.3683 118.6650 57.1190 41.0526 178.1324 133 W 4.1199 8.3530 128.6997 60.4457 30.7839 177.8019 134 L 3.7233 8.2188 118.8219 57.9424 41.1587 179.2926 135 E 3.9253 8.3759 118.5244 59.7802 29.3411 179.7330 136 T 3.7763 7.8547 115.4598 66.5836 68.5418 176.5176 137 E 3.7594 7.5783 120.3141 59.3869 29.1999 179.4160 138 L 3.7595 7.6593 118.7785 57.9416 41.6710 179.4463 139 D 4.3747 8.0180 118.7159 57.2323 40.6822 178.7621 140 L 4.0028 8.0101 119.6582 57.7410 41.6506 179.4858 141 I 3.3807 7.3207 119.7031 64.5486 36.7618 178.5345 142 Q 3.9779 7.3442 116.1137 58.6554 28.5888 178.5826 143 K 4.1338 7.9571 119.0758 59.0722 32.3502 178.5308 144 M 4.3664 8.1822 114.2995 54.0229 32.3480 177.2534 145 G 4.1208 7.5461 105.1798 45.9728 0.0000 174.4999 146 L 3.9762 8.3562 120.9794 57.9960 42.1850 179.2082 147 Q 3.9836 8.0738 117.5027 59.2402 28.8475 178.5996 148 N 4.3389 8.1358 116.7518 56.4061 38.4169 176.5598 149 Y 3.9947 7.9663 119.7950 60.7840 39.1851 177.9664 150 L 4.0583 8.5042 120.1785 57.8786 41.2517 179.2464 151 Q 3.9526 8.1860 119.2176 59.0459 28.7562 177.7523 152 A 4.1574 7.6524 119.2386 53.4898 18.7224 178.2596 153 Q 4.2590 7.7099 116.1416 55.8075 29.2601 177.3368 154 I 4.2033 7.2362 111.6042 61.6620 38.2321 176.2268 155 R 4.6596 7.5571 119.6736 53.6966 32.3627 175.4896 156 E 4.1096 8.4924 119.8408 56.0474 30.4435 175.9491 157 E 4.0919 8.4702 122.1190 55.4757 30.7128 176.5485 *158 G 3.7277 8.5443 113.4121 45.9050 0.0000 172.3991 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 4.16 0.00 1.37 1.80 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 2 K 8.48 4.03 0.00 1.83 1.68 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 1.46 7.81 3 G 8.84 3.99 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 0.00 0.00 0.00 4 D 8.48 4.57 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.84 3.87 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 6 K 8.17 3.87 0.00 1.69 1.83 0.00 1.37 0.00 0.00 0.92 0.00 0.00 2.59 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.81 1.01 7.81 7 V 8.34 3.90 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 1.07 0.00 0.00 1.15 0.00 0.00 8 I 7.79 3.75 2.03 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 0.62 0.92 0.00 0.00 9 N 8.16 4.23 0.00 2.66 2.66 0.00 0.00 7.08 6.86 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 10 Y 7.95 4.14 0.00 3.29 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 8.53 3.93 0.00 2.05 1.79 1.13 0.83 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 8.46 4.40 0.00 2.89 2.82 0.00 0.00 6.66 8.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.10 3.86 0.00 1.86 1.97 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.44 7.81 14 L 8.00 3.80 0.00 0.97 1.12 0.98 0.64 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 15 L 7.68 3.94 0.00 1.66 1.82 1.01 1.12 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 8.15 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.10 4.33 0.00 2.96 2.91 0.00 0.00 7.05 7.75 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 18 E 8.25 4.10 0.00 2.26 2.28 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 2.76 2.90 0.00 19 L 8.25 4.03 0.00 1.81 1.72 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.77 3.57 2.20 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 1.01 0.00 0.00 0.95 0.00 0.00 21 A 8.09 3.87 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 3.76 2.05 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 1.61 0.88 0.91 0.00 0.00 23 N 7.87 4.39 0.00 2.90 2.86 0.00 0.00 6.76 7.51 0.00 0.00 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 8.22 3.81 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 25 Y 8.09 4.34 0.00 3.22 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.46 3.89 0.00 3.42 3.08 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 27 L 8.16 3.96 0.00 1.98 1.60 0.89 0.91 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 28 H 8.31 3.76 0.00 3.49 3.19 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 8.20 4.17 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 7.69 3.82 0.00 1.78 1.89 0.00 3.28 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.78 0.00 31 M 7.80 3.40 0.00 0.80 1.49 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.16 0.00 32 F 7.46 4.57 0.00 3.30 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 8.27 3.88 0.00 2.07 1.91 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.43 7.81 34 N 8.05 4.23 0.00 2.65 2.68 0.00 0.00 7.36 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 35 W 7.96 4.77 0.00 3.75 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 36 G 8.38 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 0.00 0.00 0.00 37 L 8.17 4.67 0.00 2.19 1.67 1.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.92 3.80 0.00 2.00 1.82 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.61 7.81 39 R 8.22 3.90 0.00 2.10 2.01 0.00 3.52 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 40 L 7.77 4.10 0.00 1.67 1.03 1.06 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.19 4.53 0.00 3.12 3.02 0.00 0.00 7.19 8.47 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 42 D 8.05 4.31 0.00 2.85 2.66 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 0.00 0.00 0.00 0.00 43 V 7.51 3.27 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 -0.70 0.00 0.00 0.78 0.00 0.00 44 E 8.30 3.90 0.00 2.34 2.39 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 2.64 3.15 0.00 45 Y 8.18 3.88 0.00 2.95 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 46 H 8.14 3.91 0.00 3.33 3.37 0.00 5.85 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 47 E 8.12 3.41 0.00 1.16 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 1.87 1.79 0.00 48 S 7.76 4.10 0.00 4.04 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 49 I 7.36 3.55 1.70 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.43 0.78 0.00 0.00 50 D 7.87 4.20 0.00 2.62 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 8.10 4.18 0.00 2.19 2.22 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 2.70 2.82 0.00 52 M 8.03 4.08 0.00 2.04 2.20 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 2.82 2.55 0.00 53 K 8.09 3.91 0.00 1.88 1.81 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.65 7.81 54 H 8.23 4.11 0.00 3.56 3.47 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 8.55 4.26 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 56 D 8.35 4.29 0.00 2.91 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 57 R 7.92 3.86 0.00 1.82 1.77 0.00 3.13 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 58 Y 7.78 4.29 0.00 3.24 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 8.15 3.76 2.05 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 0.92 0.95 0.00 0.00 60 E 8.44 4.06 0.00 2.02 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 2.61 0.00 61 R 8.18 4.00 0.00 2.12 2.20 0.00 3.33 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 62 I 8.35 3.77 2.07 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 1.59 0.64 0.97 0.00 0.00 63 L 8.05 4.02 0.00 2.10 1.79 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.19 4.34 0.00 2.97 3.32 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 0.00 0.00 0.00 0.00 65 L 8.00 4.61 0.00 1.88 1.63 1.04 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.98 3.93 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 2.25 0.00 67 G 8.24 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 68 L 8.01 4.55 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 4.37 0.00 2.06 2.03 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 70 N 9.52 4.69 0.00 2.60 2.72 0.00 0.00 7.07 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 71 L 8.30 4.63 0.00 1.63 1.64 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.56 4.10 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.09 4.66 0.00 2.68 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 8.31 4.57 0.00 1.52 1.51 0.91 1.11 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 75 G 8.43 3.83 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 0.00 76 K 8.30 4.12 0.00 1.72 1.72 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 8.31 4.21 0.00 1.64 1.55 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.63 4.83 0.00 2.62 2.69 0.00 0.00 7.21 7.82 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 79 I 8.34 3.79 1.89 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 1.34 0.91 0.94 0.00 0.00 80 G 8.23 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.76 4.78 0.00 1.99 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 2.26 2.30 0.00 82 D 7.72 4.98 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 8.50 4.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.29 0.00 0.00 84 E 8.19 3.87 0.00 2.02 1.91 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 2.34 2.29 0.00 85 E 8.44 3.95 0.00 2.37 2.15 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 2.34 2.34 0.00 86 M 8.35 4.21 0.00 2.19 1.84 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 3.05 0.00 87 L 8.33 4.17 0.00 2.07 1.77 1.26 0.76 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 88 R 8.31 3.96 0.00 2.01 1.99 0.00 3.12 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 1.64 1.82 0.00 89 S 8.14 4.14 0.00 4.02 4.09 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 90 D 8.19 4.21 0.00 3.11 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.14 3.98 0.00 1.91 1.89 0.98 0.86 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 92 A 8.40 3.99 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.95 3.92 0.00 1.88 1.82 0.90 0.94 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 94 E 8.40 4.07 0.00 2.30 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 2.63 2.73 0.00 95 L 8.18 4.02 0.00 2.05 1.74 0.96 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 96 D 8.31 4.49 0.00 2.86 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 8.34 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 8.43 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 3.84 0.00 2.05 2.04 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 1.51 7.81 100 N 8.14 4.41 0.00 3.02 2.91 0.00 0.00 7.10 6.77 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 0.00 101 L 8.04 4.00 0.00 2.00 1.74 0.98 0.83 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 0.00 102 R 8.11 3.89 0.00 2.01 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 8.06 3.85 0.00 2.09 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 2.37 2.39 0.00 104 A 7.75 2.80 1.10 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 0.00 0.00 105 I 8.01 3.72 1.88 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 1.44 0.91 0.00 0.00 106 G 7.69 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 7.91 4.09 0.00 3.13 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.22 3.81 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 7.78 4.12 0.00 2.81 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 7.49 4.09 0.00 3.98 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 0.00 111 V 6.83 3.95 1.92 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 0.45 0.00 0.00 0.65 0.00 0.00 112 H 7.02 2.77 0.00 3.15 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.45 4.50 0.00 2.60 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 7.62 4.37 0.00 3.09 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 7.86 3.72 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 0.89 0.00 0.00 0.96 0.00 0.00 116 S 8.20 4.14 0.00 3.97 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 7.96 3.88 0.00 1.91 2.24 0.00 3.34 0.00 0.00 3.24 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 8.35 4.31 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 8.19 3.95 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 120 M 8.30 4.15 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.81 0.00 121 I 8.17 3.75 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 1.08 0.91 0.00 0.00 122 E 8.08 3.96 0.00 2.20 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 2.31 2.47 0.00 123 I 7.68 3.51 1.90 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.53 0.74 0.00 0.00 124 L 8.10 3.94 0.00 1.86 1.83 0.95 0.73 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 0.00 125 R 8.07 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 8.01 4.35 0.00 3.02 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 0.00 127 E 8.35 4.01 0.00 2.14 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 2.52 2.56 0.00 128 E 8.76 4.36 0.00 2.01 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 2.37 2.53 0.00 129 G 7.93 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 0.00 130 H 8.29 4.57 0.00 3.55 3.63 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 8.40 3.81 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.88 0.97 0.00 0.00 132 D 8.37 4.36 0.00 2.98 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 8.35 4.12 0.00 3.56 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 0.00 134 L 8.22 3.72 0.00 2.02 1.74 1.34 1.27 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 0.00 135 E 8.38 3.93 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 2.34 2.55 0.00 136 T 7.85 3.78 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 1.17 0.00 0.00 137 E 7.58 3.76 0.00 1.54 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 1.47 1.47 0.00 138 L 7.66 3.76 0.00 1.72 1.61 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.02 4.37 0.00 2.79 2.66 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 0.00 0.00 0.00 0.00 140 L 8.01 4.00 0.00 1.87 1.85 0.98 0.71 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 0.00 141 I 7.32 3.38 1.70 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.09 0.71 0.00 0.00 142 Q 7.34 3.98 0.00 2.14 2.11 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 2.49 2.48 0.00 143 K 7.96 4.13 0.00 1.79 1.86 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 144 M 8.18 4.37 0.00 2.20 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 2.69 2.89 0.00 145 G 7.55 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 8.36 3.98 0.00 1.75 1.67 0.96 0.69 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 8.07 3.98 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.14 4.34 0.00 2.98 2.89 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 7.97 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 8.50 4.06 0.00 2.02 1.70 1.06 0.77 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 0.00 151 Q 8.19 3.95 0.00 2.11 2.23 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 7.65 4.16 1.21 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 0.00 0.00 153 Q 7.71 4.26 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 154 I 7.24 4.20 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 1.50 1.45 0.97 0.00 0.00 155 R 7.56 4.66 0.00 1.77 1.84 0.00 3.19 0.00 0.00 3.26 7.34 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 8.49 4.11 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 2.26 2.27 0.00 157 E 8.47 4.09 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 *158 G 8.54 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.