NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2358 8.1476 120.2494 54.6377 32.6812 174.6136 2 K 4.7394 7.7676 125.9988 56.1896 33.1185 176.4248 3 G 3.8361 8.4798 111.0229 45.1447 0.0000 167.4750 4 D 4.3935 8.5915 131.4167 54.0877 41.2335 174.4482 5 T 3.8303 8.5947 123.7846 66.7724 68.5521 176.1684 6 K 3.7117 8.1868 120.8299 59.5339 32.0452 178.7260 7 V 3.8937 8.1171 117.9189 66.2798 31.6564 178.1827 8 I 3.7856 7.7888 119.2505 63.9929 36.8093 178.2898 9 N 4.2893 8.1346 117.8706 56.3143 38.3441 176.9689 10 Y 4.0726 7.8780 118.0734 61.0703 37.9176 178.6426 11 L 3.8620 8.2525 120.0136 58.0420 41.7923 179.4833 12 N 4.2808 8.0645 116.0409 55.9332 38.3989 177.5272 13 K 3.9110 7.9347 121.3009 59.3396 32.2922 178.9628 14 L 4.0149 8.0552 119.7088 57.5797 41.4035 179.1773 15 L 3.9796 7.6933 120.5206 58.0217 42.1190 179.2511 16 G 3.5895 7.9519 105.5779 47.8844 0.0000 175.2658 17 N 4.3621 8.0224 118.9482 56.1342 38.5102 177.3369 18 E 4.0636 8.1545 119.8118 59.4958 29.3997 179.2640 19 L 4.0212 8.1442 119.3349 57.9202 41.6348 180.1046 20 V 3.6243 7.8075 118.3857 64.6862 31.3898 178.3670 21 A 3.8653 7.8981 121.7984 54.6869 18.2186 179.6365 22 I 3.8401 8.0811 111.8747 64.3159 37.7469 178.3413 23 N 4.3776 7.9326 118.2675 56.0587 38.4170 177.2711 24 Q 3.8855 8.2622 121.0724 59.3774 29.1528 177.7932 25 Y 4.4399 8.1034 117.8809 60.9779 37.9398 178.1248 26 F 3.9818 8.5726 121.8808 60.9215 39.4720 177.1881 27 L 3.9921 8.0503 119.8901 58.3556 41.8824 178.5094 28 H 3.7978 8.2728 115.9463 58.6918 28.5965 177.2398 29 A 4.1659 8.0127 122.3907 55.7512 18.2034 180.0987 30 R 3.8191 7.6682 115.6097 59.0828 30.0594 179.3959 31 M 3.4552 7.6591 119.0534 57.9249 31.8155 178.6290 32 F 4.3685 7.4843 117.8637 60.4654 39.1886 177.2610 33 K 3.7933 8.3170 119.6363 59.9029 31.6896 177.7898 34 N 4.2586 7.6641 115.4140 56.7664 38.8483 176.1636 35 W 4.7932 7.7080 117.5255 57.6555 29.3049 177.2397 36 G 4.0613 8.8524 108.6282 45.5152 0.0000 173.6876 37 L 4.6377 7.9059 122.0374 52.8403 39.4362 177.0379 38 K 3.9278 8.1176 122.6775 59.3457 32.4995 178.3241 39 R 3.8574 8.2601 119.0991 59.5121 30.0227 178.6463 40 L 4.0529 7.7567 118.3145 57.4928 41.5773 178.8644 41 N 4.4444 8.1676 116.9248 56.7991 38.8452 176.5701 42 D 4.3495 8.2034 120.4240 57.4278 41.0574 179.1591 43 V 3.3144 7.6111 118.2991 66.0967 31.4334 177.8942 44 E 3.7982 8.1101 118.2501 59.4090 29.3809 178.9789 45 Y 3.8708 8.1106 119.6399 61.0148 38.9462 177.5945 46 H 4.0567 7.9343 119.1397 59.0327 29.7852 177.0806 47 E 3.6896 7.6004 120.2928 58.9560 29.0632 179.1102 48 S 4.0898 7.3835 113.4164 61.4485 62.5189 176.3474 49 I 3.6387 7.2283 122.0823 64.1044 36.6481 178.2192 50 D 4.1552 7.8353 119.8366 57.4262 40.6035 178.5098 51 E 4.0217 8.2953 119.2528 59.8456 29.3371 179.3532 52 M 4.0434 8.1464 118.5713 58.4468 31.9430 178.9500 53 K 4.0552 7.9072 118.3237 59.2420 32.2278 179.1503 54 H 4.1243 8.3321 116.7296 58.7704 28.6416 177.4250 55 A 4.2188 8.3061 122.7162 55.5413 18.2453 179.1320 56 D 4.3088 7.9329 116.1863 57.4723 41.1676 178.6947 57 R 3.8395 7.7481 118.2348 59.4293 30.0411 178.6265 58 Y 4.2823 7.5398 115.8976 61.2727 38.0393 178.4739 59 I 3.7987 8.0571 120.7653 64.7492 37.2164 178.3774 60 E 4.0782 8.2866 119.2392 59.1539 29.3243 179.3655 61 R 4.0019 8.1367 118.8944 59.5333 30.1999 178.5731 62 I 3.7954 8.3055 120.0626 64.5433 36.9809 178.4662 63 L 4.0904 7.9810 119.5150 57.5415 41.1793 179.3904 64 F 4.2661 8.1037 119.8363 61.3429 39.8078 176.9100 65 L 4.5801 7.9250 118.1240 54.5693 41.4865 176.6185 66 E 3.5705 7.8662 117.3617 57.8509 26.6519 173.4286 67 G 4.1700 8.3276 107.2756 43.4566 0.0000 172.1720 68 L 4.6401 8.0808 120.2066 52.1018 43.7255 174.3772 69 P 4.3825 0.0000 0.0000 62.8179 31.8048 175.6789 70 N 4.7119 9.2551 121.7004 52.4947 38.5632 173.9550 71 L 4.6850 8.3540 124.6080 54.5398 42.3814 177.3703 72 Q 4.2136 8.3339 122.2899 57.3725 29.6803 175.6840 73 D 4.6790 8.0926 117.7224 52.8641 41.7564 175.2168 74 L 4.6220 8.3541 125.9507 53.0766 44.1802 176.2071 75 G 3.9673 8.2044 113.6952 43.9984 0.0000 172.7223 76 K 4.1444 8.3470 118.8905 55.8890 32.5060 176.7103 77 L 4.3445 8.3984 124.1519 53.3535 42.6831 175.8469 78 N 4.7104 8.3899 122.7830 51.7570 38.2155 174.3992 79 I 3.7999 7.8018 125.9791 62.3119 37.8776 177.3673 80 G 4.3036 8.2323 107.8323 45.7806 0.0000 172.8301 81 E 4.7183 8.7778 119.8269 55.9395 30.8867 176.3761 82 D 4.9850 7.8030 118.9911 50.4508 43.8128 176.2976 83 V 4.0757 8.6554 121.6144 65.6880 30.9961 178.2190 84 E 3.8724 8.2222 119.2507 58.7125 29.5659 178.3446 85 E 3.9723 8.4748 119.4445 59.4499 29.7864 178.4873 86 M 4.2193 8.4886 119.1428 58.6683 32.0719 178.7761 87 L 4.2079 8.4337 119.2654 58.0498 41.7943 179.9234 88 R 4.0217 7.8998 117.9999 59.0363 29.9385 179.3588 89 S 4.1270 8.0551 114.7206 61.7696 62.9186 176.1831 90 D 4.2579 8.1201 121.5791 57.3955 40.5758 178.9244 91 L 3.9894 7.9977 120.4121 58.0826 42.1725 178.7910 92 A 4.0019 8.0756 120.7667 55.0204 18.3211 179.3396 93 L 3.8804 8.0191 118.7401 58.4501 42.2171 178.9917 94 E 4.0627 8.1367 118.4366 59.4668 29.3600 179.4798 95 L 4.0366 8.1234 118.9424 57.8583 41.6446 179.2647 96 D 4.4652 8.3112 118.9666 57.2838 40.7393 179.0491 97 G 3.6308 8.1914 105.9504 47.8616 0.0000 175.3842 98 A 4.0279 8.1558 123.5178 54.7774 18.0952 179.5943 99 K 3.8953 7.9300 117.5729 59.8539 32.2966 178.8579 100 N 4.3960 7.9785 116.4062 56.0989 38.3489 177.3431 101 L 3.9922 8.0456 120.5574 58.0315 41.8952 179.8293 102 R 3.8860 8.0472 117.8414 59.0635 29.8209 178.7665 103 E 3.8379 7.8966 118.7710 59.2724 29.6955 178.8160 104 A 2.8668 7.6443 120.7092 54.8060 17.8252 179.6993 105 I 3.7737 7.9991 118.7476 64.4048 37.0032 178.9556 106 G 3.6236 7.9632 106.3007 47.7953 0.0000 175.2735 107 Y 3.9490 7.7632 121.8241 60.3870 38.7736 177.6120 108 A 3.8825 7.9766 121.7468 55.1315 18.3418 179.1412 109 D 4.1410 7.6900 115.4058 57.5694 41.1238 178.4583 110 S 3.9706 7.3051 114.6512 61.4344 62.9745 176.5123 111 V 3.6331 6.9572 118.0932 61.6987 31.5514 176.3529 112 H 2.9584 7.2405 115.6355 56.7673 26.7923 176.1331 113 D 4.4960 7.5198 122.0405 53.4550 38.5442 176.1202 114 Y 4.3733 7.5039 121.7187 60.3301 38.3883 177.4838 115 V 3.7255 7.8510 119.1075 65.8583 31.7976 178.1565 116 S 4.2360 8.3765 115.2317 61.4275 62.7643 176.7391 117 R 4.0667 8.1502 118.7438 58.7719 29.0740 178.5783 118 D 4.2576 8.1955 119.2913 57.5029 41.3128 177.6072 119 M 4.0009 7.9560 118.6910 59.1226 32.1331 178.0624 120 M 4.1167 8.0077 118.4772 58.5747 32.1153 178.8979 121 I 3.7458 7.7343 119.3973 64.0280 37.0228 178.4715 122 E 3.9304 7.9206 119.8594 59.5764 29.3816 179.4014 123 I 3.6137 7.6645 119.8434 64.1732 37.0784 178.3346 124 L 4.0037 8.2639 121.6290 58.0110 41.6881 178.9541 125 R 3.9297 7.8395 118.0319 59.3377 30.2656 178.0502 126 D 4.4545 7.7850 118.9322 57.2284 40.7841 178.4289 127 E 3.9373 8.1820 119.0444 59.6045 29.4414 179.3400 128 E 4.1614 8.4552 118.1185 58.7603 29.2774 179.4629 129 G 3.7146 7.9254 106.1693 47.6405 0.0000 175.7761 130 H 4.5800 8.0035 118.0468 58.8603 28.8211 177.7543 131 I 3.8680 8.3242 122.1324 64.3984 36.9283 178.0307 132 D 4.3594 8.1080 118.9128 56.9991 41.0795 178.0955 133 W 4.1724 8.1986 128.7979 60.4188 30.7001 177.9897 134 L 3.6229 8.1119 118.5960 57.7583 40.9819 179.2473 135 E 3.9112 8.1142 118.4544 59.7880 29.5330 179.6600 136 T 3.8278 7.8827 115.5384 66.5343 68.4511 176.5158 137 E 3.7939 7.7538 120.3864 59.5018 29.0963 179.5231 138 L 3.8163 7.7857 118.7494 57.7608 41.5886 179.3273 139 D 4.4162 7.7688 118.9776 56.8992 40.7921 178.7443 140 L 4.0605 7.7017 119.3075 57.7928 41.6059 179.5627 141 I 3.4968 7.1953 119.4406 64.1465 36.6950 178.3025 142 Q 3.8749 7.2439 118.2092 59.0945 28.9823 178.0806 143 K 4.1583 8.2422 118.9257 58.7851 32.4014 178.3733 144 M 4.3922 8.5577 114.9899 54.2075 32.5386 177.3150 145 G 4.0525 7.4999 105.5953 45.6113 0.0000 174.3722 146 L 4.0264 8.3562 120.6910 58.1425 42.1371 179.3955 147 Q 4.1068 8.0238 117.6283 58.9812 28.7190 178.2650 148 N 4.3971 8.1128 117.1786 56.2689 38.4822 176.7042 149 Y 3.9605 7.7705 119.8082 60.6469 39.2257 177.8443 150 L 4.1076 8.5553 120.3211 57.9098 41.9275 179.3127 151 Q 3.9889 8.2286 119.2083 58.8506 28.7487 177.3513 152 A 4.2331 7.6217 118.9466 53.0075 18.6113 178.0329 153 Q 4.4143 7.7988 116.5751 55.5880 30.1312 177.0673 154 I 4.1837 7.0687 110.8817 61.6762 37.7846 176.2317 155 R 4.6293 7.4391 119.9733 54.2591 33.7660 174.6246 156 E 4.1413 8.5980 120.4439 55.8651 30.6617 177.3414 157 E 4.0886 8.2956 121.4957 55.5748 31.5095 176.8395 *158 G 3.7267 8.5810 107.7360 46.1106 0.0000 172.6578 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 8.15 4.24 0.00 1.28 1.78 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 2.50 2.41 0.00 2 K 7.77 4.74 0.00 1.92 1.88 0.00 1.23 0.00 0.00 2.34 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.42 7.81 3 G 8.48 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.59 4.39 0.00 2.97 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 5 T 8.59 3.83 4.23 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 1.24 0.00 0.00 6 K 8.19 3.71 0.00 1.97 1.74 0.00 0.92 0.00 0.00 1.17 0.00 0.00 2.39 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.13 7.81 7 V 8.12 3.89 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 1.19 0.00 0.00 1.22 0.00 0.00 8 I 7.79 3.79 2.00 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 1.56 1.20 0.92 0.00 0.00 9 N 8.13 4.29 0.00 2.77 2.61 0.00 0.00 6.85 7.02 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 10 Y 7.88 4.07 0.00 3.19 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 8.25 3.86 0.00 2.04 1.75 1.10 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.06 4.28 0.00 2.89 2.81 0.00 0.00 6.70 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.93 3.91 0.00 1.78 2.02 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 L 8.06 4.01 0.00 1.56 0.86 0.95 0.58 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 15 L 7.69 3.98 0.00 1.69 1.76 1.05 0.96 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 16 G 7.95 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 17 N 8.02 4.36 0.00 3.03 2.91 0.00 0.00 7.05 7.77 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 18 E 8.15 4.06 0.00 2.31 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 2.75 2.85 0.00 19 L 8.14 4.02 0.00 1.85 1.73 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.81 3.62 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 0.87 0.00 0.00 0.94 0.00 0.00 21 A 7.90 3.87 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 22 I 8.08 3.84 1.92 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 1.53 0.97 1.00 0.00 0.00 23 N 7.93 4.38 0.00 2.97 2.91 0.00 0.00 6.68 7.11 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 24 Q 8.26 3.89 0.00 2.01 1.89 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 2.00 2.18 0.00 25 Y 8.10 4.44 0.00 3.39 2.97 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 26 F 8.57 3.98 0.00 3.35 3.11 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 27 L 8.05 3.99 0.00 1.88 1.63 0.90 0.94 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 28 H 8.27 3.80 0.00 3.58 3.25 0.00 5.89 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 8.01 4.17 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.67 3.82 0.00 1.75 1.88 0.00 3.17 0.00 0.00 2.96 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.74 0.00 31 M 7.66 3.46 0.00 0.86 1.51 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.22 0.00 32 F 7.48 4.37 0.00 3.26 3.20 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 0.00 0.00 0.00 0.00 33 K 8.32 3.79 0.00 2.07 1.91 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.43 7.81 34 N 7.66 4.26 0.00 2.70 2.64 0.00 0.00 7.38 8.11 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 35 W 7.71 4.79 0.00 3.76 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 8.85 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.91 4.64 0.00 2.14 1.66 1.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.12 3.93 0.00 1.78 1.85 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.51 7.81 39 R 8.26 3.86 0.00 2.02 2.07 0.00 3.06 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 40 L 7.76 4.05 0.00 1.49 0.90 1.02 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.17 4.44 0.00 3.16 3.06 0.00 0.00 7.16 8.19 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 42 D 8.20 4.35 0.00 2.93 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.61 3.31 1.69 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 -0.72 0.00 0.00 0.73 0.00 0.00 44 E 8.11 3.80 0.00 2.34 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 2.66 3.15 0.00 45 Y 8.11 3.87 0.00 3.00 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 46 H 7.93 4.06 0.00 3.19 3.16 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.60 3.69 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 1.84 1.78 0.00 48 S 7.38 4.09 0.00 3.99 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 49 I 7.23 3.64 1.87 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.76 0.85 0.00 0.00 50 D 7.84 4.16 0.00 2.71 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 51 E 8.30 4.02 0.00 2.18 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 2.72 2.82 0.00 52 M 8.15 4.04 0.00 2.03 2.20 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 2.71 2.55 0.00 53 K 7.91 4.06 0.00 1.92 1.80 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.62 7.81 54 H 8.33 4.12 0.00 3.36 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 8.31 4.22 1.47 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 0.00 0.00 56 D 7.93 4.31 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.75 3.84 0.00 1.99 1.64 0.00 3.12 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 1.54 1.60 0.00 58 Y 7.54 4.28 0.00 3.22 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 8.06 3.80 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 1.59 1.53 0.95 0.00 0.00 60 E 8.29 4.08 0.00 2.18 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 2.70 0.00 61 R 8.14 4.00 0.00 2.14 2.22 0.00 3.31 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 1.75 1.85 0.00 62 I 8.31 3.80 1.94 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 1.59 0.76 0.97 0.00 0.00 63 L 7.98 4.09 0.00 2.12 1.79 0.99 0.92 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 64 F 8.10 4.27 0.00 3.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.58 0.00 1.99 1.68 1.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.87 3.57 0.00 2.01 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 2.13 2.23 0.00 67 G 8.33 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 68 L 8.08 4.64 0.00 1.57 1.54 0.92 0.91 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 69 P 0.00 4.38 0.00 2.10 2.01 0.00 3.72 0.00 0.00 3.76 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 9.26 4.71 0.00 2.60 2.80 0.00 0.00 7.03 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.35 4.69 0.00 1.64 1.62 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.33 4.21 0.00 1.99 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.21 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 73 D 8.09 4.68 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 8.35 4.62 0.00 1.56 1.51 0.91 1.07 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 75 G 8.20 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 76 K 8.35 4.14 0.00 1.75 1.76 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.45 7.81 77 L 8.40 4.34 0.00 1.61 1.57 0.91 1.00 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 78 N 8.39 4.71 0.00 2.64 2.74 0.00 0.00 7.22 7.94 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 79 I 7.80 3.80 1.90 0.00 0.00 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 1.35 0.93 1.01 0.00 0.00 80 G 8.23 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 4.72 0.00 2.04 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 2.31 2.41 0.00 82 D 7.80 4.99 0.00 2.87 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 8.66 4.08 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 1.13 0.00 0.00 1.11 0.00 0.00 84 E 8.22 3.87 0.00 2.00 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 2.25 2.22 0.00 85 E 8.47 3.97 0.00 2.47 2.17 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 2.34 2.37 0.00 86 M 8.49 4.22 0.00 1.80 2.42 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.51 0.00 87 L 8.43 4.21 0.00 1.87 1.74 1.19 0.84 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 88 R 7.90 4.02 0.00 1.99 1.99 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 89 S 8.06 4.13 0.00 4.15 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 90 D 8.12 4.26 0.00 3.09 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 91 L 8.00 3.99 0.00 1.93 1.87 0.98 1.04 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 92 A 8.08 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.02 3.88 0.00 1.87 1.79 0.89 0.73 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 94 E 8.14 4.06 0.00 2.34 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 2.57 2.71 0.00 95 L 8.12 4.04 0.00 2.06 1.73 0.96 0.96 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 96 D 8.31 4.47 0.00 2.87 2.72 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 97 G 8.19 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 98 A 8.16 4.03 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 99 K 7.93 3.90 0.00 1.96 2.04 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 N 7.98 4.40 0.00 2.95 2.89 0.00 0.00 7.05 8.01 0.00 0.00 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 8.05 3.99 0.00 1.90 1.74 0.96 0.88 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 8.05 3.89 0.00 1.86 1.97 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 1.65 1.93 0.00 103 E 7.90 3.84 0.00 2.01 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 2.36 0.00 104 A 7.64 2.87 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 0.00 0.00 0.00 0.00 0.00 105 I 8.00 3.77 1.85 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 1.19 0.92 0.00 0.00 106 G 7.96 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.76 3.95 0.00 3.05 2.97 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 0.00 108 A 7.98 3.88 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 0.00 109 D 7.69 4.14 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 7.31 3.97 0.00 3.52 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 0.00 111 V 6.96 3.63 1.81 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 0.59 0.00 0.00 0.81 0.00 0.00 112 H 7.24 2.96 0.00 3.14 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.52 4.50 0.00 2.61 2.48 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 0.00 0.00 0.00 0.00 114 Y 7.50 4.37 0.00 3.09 2.91 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 0.00 0.00 0.00 115 V 7.85 3.73 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 1.08 0.00 0.00 0.99 0.00 0.00 116 S 8.38 4.24 0.00 4.11 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 0.00 117 R 8.15 4.07 0.00 2.14 2.33 0.00 2.91 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.93 0.00 118 D 8.20 4.26 0.00 3.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 M 7.96 4.00 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 120 M 8.01 4.12 0.00 2.19 2.15 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 2.90 2.81 0.00 121 I 7.73 3.75 2.01 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 0.83 0.92 0.00 0.00 122 E 7.92 3.93 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 123 I 7.66 3.61 1.93 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 1.18 0.83 0.67 0.00 0.00 124 L 8.26 4.00 0.00 1.84 1.86 0.94 1.15 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 0.00 125 R 7.84 3.93 0.00 2.04 2.12 0.00 3.32 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 126 D 7.78 4.45 0.00 2.99 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.18 3.94 0.00 2.14 2.19 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 2.61 2.55 0.00 128 E 8.46 4.16 0.00 2.25 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 2.36 2.48 0.00 129 G 7.93 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 0.00 130 H 8.00 4.58 0.00 3.65 3.63 0.00 5.65 0.00 0.00 0.00 0.00 6.93 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 3.87 2.09 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 1.50 0.84 0.97 0.00 0.00 132 D 8.11 4.36 0.00 2.94 2.91 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 0.00 0.00 0.00 133 W 8.20 4.17 0.00 3.45 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 0.00 134 L 8.11 3.62 0.00 1.87 1.73 1.22 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.11 3.91 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.66 0.00 136 T 7.88 3.83 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 137 E 7.75 3.79 0.00 1.56 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 7.79 3.82 0.00 1.66 1.61 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 139 D 7.77 4.42 0.00 2.83 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 7.70 4.06 0.00 2.07 1.85 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.20 3.50 1.67 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.05 0.68 0.00 0.00 142 Q 7.24 3.87 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 K 8.24 4.16 0.00 1.79 1.84 0.00 1.72 0.00 0.00 1.91 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 144 M 8.56 4.39 0.00 2.15 2.21 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 2.64 2.94 0.00 145 G 7.50 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 0.00 146 L 8.36 4.03 0.00 1.74 1.67 0.95 0.70 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 0.00 147 Q 8.02 4.11 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 148 N 8.11 4.40 0.00 2.95 2.89 0.00 0.00 6.77 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 7.77 3.96 0.00 3.10 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 0.00 150 L 8.56 4.11 0.00 2.01 1.71 1.13 0.74 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 0.00 151 Q 8.23 3.99 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.62 4.23 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 7.80 4.41 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 154 I 7.07 4.18 1.88 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 1.24 0.97 0.00 0.00 155 R 7.44 4.63 0.00 1.73 1.79 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 156 E 8.60 4.14 0.00 2.08 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 0.00 2.25 2.34 0.00 157 E 8.30 4.09 0.00 1.95 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 2.29 2.26 0.00 *158 G 8.58 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.