NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1435 8.1627 120.2809 54.8179 33.2575 173.9021 2 K 3.9614 8.4427 128.0193 55.8027 32.5072 175.1118 3 G 3.9548 8.7281 115.9688 45.2124 0.0000 171.5144 4 D 4.5769 8.4996 119.6949 54.3948 42.0468 177.2109 5 T 3.8850 8.7970 122.6287 66.7789 68.6193 176.8511 6 K 3.8602 8.1744 121.0160 59.0391 32.2110 178.8808 7 V 3.8979 8.6744 119.1366 66.1783 31.4487 177.8339 8 I 3.7422 7.6699 119.1092 64.7474 36.9086 178.0704 9 N 4.2649 8.2166 116.9790 56.4604 38.3072 177.0792 10 Y 4.0971 7.9835 118.0214 61.1180 37.9650 178.6062 11 L 3.9234 8.4860 120.2820 57.9403 41.6449 179.4224 12 N 4.3324 8.5419 116.8284 56.0334 38.4170 177.4712 13 K 3.8833 8.1716 121.3392 59.2874 32.3150 178.9176 14 L 3.7977 8.1885 119.7010 57.5917 41.3880 178.9725 15 L 4.0123 7.7465 120.7568 58.3014 42.0051 179.2301 16 G 3.6338 8.1629 105.5760 47.9866 0.0000 175.3463 17 N 4.3817 8.0321 118.8145 56.1557 38.5725 177.4360 18 E 4.1169 8.2812 119.9869 59.3485 29.4409 179.3217 19 L 4.0497 8.2731 119.3908 57.6707 41.5939 179.7292 20 V 3.5654 7.7644 117.6539 66.0635 31.5321 177.9323 21 A 3.8359 8.1004 120.4219 55.0331 18.1955 179.3766 22 I 3.7523 8.3144 118.7427 64.9649 37.2887 178.4059 23 N 4.4011 7.9171 117.0719 56.3795 38.3947 177.4434 24 Q 3.8578 8.2808 121.1588 59.2964 29.1023 177.8073 25 Y 4.3477 8.4283 118.3275 60.9153 37.8828 178.1949 26 F 3.8140 8.4838 121.6541 61.0649 39.5197 176.7876 27 L 3.9410 8.1298 119.9421 58.5792 41.8368 178.4345 28 H 3.7765 8.1701 115.7152 58.8249 28.6076 177.2195 29 A 4.1519 8.3169 122.6925 55.7096 18.1268 179.8982 30 R 3.8357 7.7878 115.5012 58.6379 30.0626 179.2555 31 M 3.4282 7.8764 119.4358 58.1102 31.8354 178.4664 32 F 4.5624 7.4468 117.8828 60.5625 39.1361 177.5024 33 K 3.8840 8.2627 119.2892 59.6274 31.7438 178.1330 34 N 4.2818 7.9178 115.8307 56.5812 39.0113 176.4366 35 W 4.7446 7.9763 117.7527 57.5810 29.4701 177.2177 36 G 3.9766 8.3265 108.0273 46.2501 0.0000 174.2987 37 L 4.6510 8.0537 121.9236 52.7247 38.2012 177.0434 38 K 3.8245 7.9430 122.9384 59.9201 32.6273 177.5279 39 R 3.9431 8.3306 118.9649 59.0835 29.9157 178.3119 40 L 4.1039 7.9205 118.8793 56.9996 41.5322 178.7645 41 N 4.5326 8.1418 116.8026 56.8266 39.0450 176.3622 42 D 4.3299 7.9917 120.2122 57.4269 40.9449 179.1270 43 V 3.4434 7.6687 118.3126 66.1418 31.4886 177.9973 44 E 3.9043 8.4708 118.4926 59.2305 29.2768 178.6372 45 Y 3.8574 8.2255 119.8795 61.1774 38.7993 178.1396 46 H 4.2023 8.3220 116.4000 58.2902 28.6899 177.4912 47 E 3.7038 7.7500 120.8206 58.4965 29.2351 178.7472 48 S 4.1057 7.8629 113.5305 61.5953 62.4169 176.2774 49 I 3.5761 7.3531 122.2559 64.3462 36.7692 177.9522 50 D 4.2590 7.6723 119.5445 57.7020 40.6831 179.0237 51 E 4.1933 8.1680 118.7078 59.4416 29.3361 179.3541 52 M 4.0726 8.0546 118.9641 58.3857 32.0307 178.8338 53 K 3.9262 8.1748 118.6665 59.7113 32.1828 179.1326 54 H 4.1026 8.1263 116.2033 58.7805 28.5845 177.5303 55 A 4.2322 8.4671 122.9863 55.3677 18.1407 179.0286 56 D 4.2955 8.3104 116.4781 57.7342 41.2706 178.7798 57 R 3.8681 7.9279 118.3982 59.4509 30.0307 178.7270 58 Y 4.2914 7.8746 116.4739 61.1661 37.9051 178.5704 59 I 3.8090 8.2167 121.0368 64.6019 37.1975 178.4409 60 E 4.0821 8.5238 119.5720 59.1142 29.1630 179.4922 61 R 4.0162 8.0418 118.9222 59.5452 30.1815 178.3783 62 I 3.7660 8.3875 119.9807 64.6753 37.1675 178.4120 63 L 4.0175 8.0938 119.5603 57.7096 41.2089 179.3795 64 F 4.3654 8.2015 119.8114 61.2174 39.7012 176.5122 65 L 4.3842 8.1741 117.7640 54.0238 41.1334 177.2004 66 E 3.9079 7.9628 117.6205 57.4172 27.0332 174.4558 67 G 3.9783 8.0850 108.7983 44.0045 0.0000 173.5561 68 L 4.5420 8.0265 119.2080 52.0088 42.1386 175.0731 69 P 4.3976 0.0000 0.0000 62.4995 31.7913 175.9482 70 N 4.7366 9.4889 122.0773 52.3907 38.9406 173.9301 71 L 4.6420 8.3562 124.2403 54.5689 42.5274 177.4070 72 Q 4.1240 8.5348 121.9990 58.0648 29.3719 175.8817 73 D 4.6446 8.0659 117.3880 52.8948 41.7740 175.2195 74 L 4.5717 8.3119 125.8606 52.7534 43.9805 176.4433 75 G 3.8075 8.4309 115.4053 44.6122 0.0000 171.9069 76 K 4.0785 8.3119 120.7514 55.8329 32.3620 176.6661 77 L 4.1061 8.3334 126.7422 54.4944 42.2751 176.3140 78 N 4.8066 8.8456 120.5598 52.0060 40.1678 174.3681 79 I 3.8454 8.4860 126.4981 64.0982 37.7244 178.2461 80 G 4.1656 8.2609 102.2294 45.8653 0.0000 172.5732 81 E 4.7870 8.5737 115.9897 55.4876 31.9158 176.3252 82 D 5.0229 7.7251 117.7295 50.3539 43.9662 176.0197 83 V 4.0046 8.5226 119.1001 66.6731 31.3318 177.4488 84 E 3.8692 8.2575 117.9418 59.5647 29.4851 178.2990 85 E 4.0024 8.5579 119.2643 59.5273 29.6505 178.6961 86 M 4.1262 8.3300 117.1685 58.2248 31.3726 178.6034 87 L 4.1268 8.4959 120.5497 57.6300 41.7440 179.4006 88 R 3.8901 8.4956 119.1250 59.4474 30.0281 178.5687 89 S 4.0973 8.1822 113.0434 61.3481 62.4235 175.7897 90 D 4.2311 8.1689 121.6994 57.1612 40.5584 178.5018 91 L 3.9955 8.2386 120.6477 58.2564 42.1732 178.8200 92 A 4.0120 8.2505 120.8763 55.1845 18.2418 179.4089 93 L 3.9438 7.9193 118.6823 58.2338 42.1067 179.0725 94 E 4.0594 8.3554 118.6477 59.3343 29.5043 179.2003 95 L 4.0335 8.1149 119.0597 58.1147 41.8146 179.4468 96 D 4.5218 8.3487 118.8584 57.1887 40.6985 179.0981 97 G 3.6424 8.2987 106.3055 47.5522 0.0000 175.7615 98 A 4.0486 8.5225 123.6056 54.6311 18.4915 179.5011 99 K 3.8335 7.9933 118.0012 59.9656 32.2767 178.6819 100 N 4.3928 8.0744 116.3372 56.3739 38.4355 177.4041 101 L 3.9881 8.1339 120.3210 57.8362 41.5930 179.7515 102 R 3.9080 8.2488 118.2313 59.1546 30.0468 178.7781 103 E 3.8450 8.0707 118.4443 59.2786 29.6127 178.7601 104 A 2.8295 7.8498 120.8582 54.7164 18.4155 179.6376 105 I 3.7093 7.8789 118.5670 64.4732 36.9425 178.8970 106 G 3.5969 7.5986 105.3758 47.8732 0.0000 174.8891 107 Y 4.1824 7.9572 122.5464 59.7102 38.8710 177.3664 108 A 3.8293 8.2254 122.0583 55.2218 18.4827 179.0064 109 D 4.1049 7.9004 116.3957 57.4501 41.3298 178.5038 110 S 4.1679 7.7566 113.8918 60.0231 63.0120 175.6559 111 V 4.0783 6.8234 113.8665 60.7455 31.6349 175.6101 112 H 2.8270 7.0171 114.0170 56.6301 27.0670 176.4647 113 D 4.5439 7.3868 121.0536 53.5488 37.5108 176.3054 114 Y 4.3435 7.4232 121.3279 60.6481 38.4025 178.3374 115 V 3.7241 7.8720 119.9808 64.7625 31.8577 178.3190 116 S 4.1625 8.3312 115.8089 61.4248 62.5968 176.7111 117 R 3.9045 8.1089 121.1778 59.4837 29.9842 178.1080 118 D 4.3002 8.3004 117.9464 57.5413 41.3269 177.7156 119 M 3.9997 8.3480 119.0292 59.1048 32.1232 178.1772 120 M 4.1578 8.1929 118.7369 58.3436 32.0997 178.8327 121 I 3.7230 8.1446 120.4468 64.2584 37.3341 178.2187 122 E 3.9593 8.0662 119.0806 59.5669 29.2553 179.5704 123 I 3.5660 7.5564 119.6097 64.1098 37.0752 178.1391 124 L 3.9346 8.1399 121.4458 58.1640 41.9937 179.0248 125 R 3.8916 8.0206 118.5734 59.6251 30.0635 178.2435 126 D 4.3661 8.0224 118.3997 57.3809 40.7638 178.7056 127 E 3.9476 8.2980 119.3065 59.3341 29.4674 178.9405 128 E 4.2047 8.7522 120.0027 59.1044 29.6221 179.1624 129 G 3.6399 7.9620 105.6221 48.0625 0.0000 175.4631 130 H 4.5700 8.1197 118.6827 58.6656 28.6677 177.7801 131 I 3.7993 8.3566 122.0682 64.5835 37.0126 177.7308 132 D 4.3600 8.3009 118.6506 57.3807 41.0063 178.0235 133 F 4.1977 8.3396 120.9005 61.4063 39.3802 177.0084 134 L 3.7313 8.2003 118.3540 57.8512 41.4918 179.2972 135 E 3.9175 8.3666 118.5853 59.7477 29.3168 179.6894 136 T 3.8045 7.9159 115.4699 66.6183 68.5364 176.3739 137 E 3.8677 7.7876 120.3676 59.5894 29.2374 179.5297 138 L 3.7948 7.8568 118.7783 57.9387 41.5579 179.4547 139 D 4.3957 8.1806 118.7826 57.1654 40.6328 178.7352 140 L 3.9722 8.1025 119.8129 57.7939 41.6716 179.4060 141 I 3.3951 7.5008 119.7164 64.5876 36.7541 178.5137 142 Q 3.9775 7.3716 116.1436 58.7597 28.6451 178.4967 143 K 4.1474 8.2082 119.2030 58.8712 32.2707 178.4226 144 M 4.4015 8.3384 114.6198 53.9327 32.5508 177.1051 145 G 4.1144 7.5817 105.9503 46.0238 0.0000 174.3962 146 L 3.9674 8.4450 121.8530 58.0372 42.1540 179.3559 147 Q 3.9971 8.0815 117.4206 59.3418 28.8662 178.7033 148 N 4.3780 8.1463 116.7714 56.3000 38.3725 176.7281 149 Y 4.0038 8.0032 120.2386 60.6114 39.1313 177.8210 150 L 4.0587 8.4152 120.3002 57.9527 41.6596 179.2311 151 Q 3.8892 8.1034 119.1719 59.1049 28.7147 177.8269 152 A 4.1245 7.5072 119.1258 53.5166 18.7176 178.2860 153 Q 4.2142 7.8258 116.0596 55.8577 29.0657 177.7244 154 I 3.9194 7.2251 121.0600 63.0911 37.4081 176.5974 155 R 4.6341 7.5193 117.4824 53.8952 31.9795 175.9096 156 E 4.1145 8.4090 119.1190 56.0114 30.4756 175.8015 157 E 4.1052 8.4973 121.8463 55.2422 30.5079 176.5143 *158 G 3.7272 8.5978 114.1347 45.8881 0.0000 172.1804 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 1.49 1.79 0.00 0.00 0.00 0.00 0.00 -0.03 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 2.88 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.73 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 8.50 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 3.89 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 1.09 0.00 0.00 2.50 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.72 0.99 7.81 7 V 8.67 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 1.15 0.00 0.00 1.17 0.00 0.00 8 I 7.67 3.74 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 8.22 4.26 0.00 2.59 2.67 0.00 0.00 7.08 6.91 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 10 Y 7.98 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 0.78 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 12 N 8.54 4.33 0.00 2.76 2.82 0.00 0.00 6.67 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 13 K 8.17 3.88 0.00 1.75 2.00 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.45 7.81 14 L 8.19 3.80 0.00 0.95 1.14 0.93 0.50 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 7.75 4.01 0.00 1.70 1.85 1.02 0.99 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 3.63 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 0.00 0.00 0.00 17 N 8.03 4.38 0.00 2.97 2.91 0.00 0.00 7.05 7.72 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 18 E 8.28 4.12 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 4.05 0.00 1.83 1.72 0.95 1.15 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 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 1.05 0.00 0.00 0.95 0.00 0.00 21 A 8.10 3.84 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 8.31 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 1.08 0.91 0.00 0.00 23 N 7.92 4.40 0.00 2.84 2.86 0.00 0.00 6.76 7.59 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 24 Q 8.28 3.86 0.00 1.99 1.88 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 8.43 4.35 0.00 3.18 3.02 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 26 F 8.48 3.81 0.00 3.42 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 8.13 3.94 0.00 1.96 1.59 0.88 0.84 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 8.17 3.78 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 8.32 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 7.79 3.84 0.00 1.75 1.89 0.00 3.31 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.77 0.00 31 M 7.88 3.43 0.00 0.85 1.51 0.00 0.00 0.00 0.00 0.00 1.64 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 7.45 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 3.88 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 1.41 1.43 7.81 34 N 7.92 4.28 0.00 2.68 2.68 0.00 0.00 7.34 8.40 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 35 W 7.98 4.74 0.00 3.71 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 8.33 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 4.65 0.00 2.17 1.65 1.05 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.94 3.82 0.00 2.02 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.33 3.94 0.00 2.07 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 7.92 4.10 0.00 1.63 1.00 1.04 0.22 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 3.10 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 7.99 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 7.67 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 -0.02 0.00 0.00 0.83 0.00 0.00 44 E 8.47 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 2.65 3.09 0.00 45 Y 8.23 3.86 0.00 2.94 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.32 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 7.75 3.70 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 1.91 0.00 48 S 7.86 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 7.35 3.58 1.71 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.46 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 2.73 2.82 0.00 52 M 8.05 4.07 0.00 2.04 2.24 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 2.81 2.56 0.00 53 K 8.17 3.93 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 8.13 4.10 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 8.47 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 7.93 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 1.59 1.75 0.00 58 Y 7.87 4.29 0.00 3.22 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 8.22 3.81 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 1.04 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 8.04 4.02 0.00 2.14 2.22 0.00 3.37 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 1.76 1.86 0.00 62 I 8.39 3.77 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 1.58 0.76 0.99 0.00 0.00 63 L 8.09 4.02 0.00 2.11 1.80 0.95 0.86 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 8.20 4.37 0.00 2.97 3.37 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 65 L 8.17 4.38 0.00 1.70 1.62 0.99 0.60 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 7.96 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 8.09 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 68 L 8.03 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 4.40 0.00 2.06 2.02 0.00 3.66 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 9.49 4.74 0.00 2.59 2.79 0.00 0.00 7.06 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 8.36 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 6.55 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.07 4.64 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 4.08 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 4.11 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 8.85 4.81 0.00 2.61 2.69 0.00 0.00 7.20 7.44 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 79 I 8.49 3.85 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 8.26 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 8.57 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 7.73 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 8.52 4.00 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 1.27 0.00 0.00 1.26 0.00 0.00 84 E 8.26 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 2.32 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 8.33 4.13 0.00 2.30 1.76 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.95 0.00 87 L 8.50 4.13 0.00 2.05 1.79 1.22 0.65 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 8.50 3.89 0.00 2.11 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 8.18 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 8.17 4.23 0.00 3.11 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 8.24 4.00 0.00 1.80 1.88 0.97 0.88 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 8.25 4.01 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 7.92 3.94 0.00 1.88 1.79 0.90 0.84 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 8.36 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 2.60 2.70 0.00 95 L 8.11 4.03 0.00 2.04 1.74 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.35 4.52 0.00 2.84 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 8.30 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 8.52 4.05 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 7.99 3.83 0.00 2.05 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 6.48 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 0.00 101 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 8.25 3.91 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 8.07 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 2.37 2.37 0.00 104 A 7.85 2.83 0.98 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 0.00 105 I 7.88 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 7.60 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 7.96 4.18 0.00 3.14 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 8.23 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 7.90 4.10 0.00 2.88 2.81 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 0.00 110 S 7.76 4.17 0.00 3.97 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 6.82 4.08 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 0.53 0.00 0.00 0.66 0.00 0.00 112 H 7.02 2.83 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 7.39 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 7.42 4.34 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 7.87 3.72 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 1.03 0.00 0.00 0.97 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 8.11 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 8.30 4.30 0.00 2.98 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 8.35 4.00 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 2.05 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 4.16 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 2.13 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 8.14 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 8.07 3.96 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 7.56 3.57 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 0.49 0.76 0.00 0.00 124 L 8.14 3.93 0.00 1.85 1.87 0.99 1.00 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 7.56 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 8.02 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 8.75 4.20 0.00 2.25 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 7.96 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 8.12 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 0.86 0.96 0.00 0.00 132 D 8.30 4.36 0.00 2.95 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 3.34 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 8.20 3.73 0.00 1.95 1.72 1.26 1.20 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 8.37 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 2.34 2.50 0.00 136 T 7.92 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 1.75 0.00 138 L 7.86 3.79 0.00 1.73 1.63 0.90 0.98 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 8.18 4.40 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 8.10 3.97 0.00 1.89 1.86 1.01 1.01 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 7.50 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 -0.05 0.02 0.72 0.00 0.00 142 Q 7.37 3.98 0.00 2.13 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 8.21 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 8.34 4.40 0.00 2.18 2.20 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 2.61 2.85 0.00 145 G 7.58 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 8.45 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 4.00 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 8.00 4.00 0.00 3.01 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.42 4.06 0.00 2.02 1.69 1.06 0.83 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 3.89 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 7.51 4.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 7.83 4.21 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.76 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 154 I 7.23 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 8.41 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 4.11 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.