NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1601 8.1627 120.2751 54.7050 33.1386 173.9831 2 K 4.0269 8.4795 128.4432 56.1037 32.6224 175.1925 3 G 3.9874 8.8408 116.0985 44.9883 0.0000 171.8463 4 D 4.5693 8.4809 119.6939 54.3683 41.9711 177.1263 5 T 3.8726 8.8458 122.7873 66.8187 68.5685 176.6981 6 K 3.8762 8.1668 120.9395 58.9762 32.2304 178.9090 7 V 3.8959 8.3310 118.8988 66.1709 31.4269 177.8355 8 I 3.7475 7.7886 119.4714 64.6584 36.9892 178.0536 9 N 4.2365 8.1475 116.9747 56.5093 38.2633 176.9695 10 Y 4.1558 7.9618 117.9685 61.2265 38.0019 178.7496 11 L 3.9204 8.5254 120.1495 58.0144 41.6507 179.4697 12 N 4.3710 8.4865 116.6650 55.9620 38.4250 177.4654 13 K 3.8673 8.1140 121.1511 59.4078 32.3292 178.9746 14 L 3.8008 7.9959 119.5864 57.4320 41.3697 178.8760 15 L 3.9384 7.6430 120.8813 58.3333 42.0392 179.2377 16 G 3.6472 8.1549 105.4134 47.9150 0.0000 175.1670 17 N 4.3364 8.0984 118.7920 56.2591 38.5980 177.2721 18 E 4.1051 8.2392 119.7572 59.5175 29.2260 179.4758 19 L 4.0414 8.2568 119.2231 57.6328 41.6113 179.7626 20 V 3.5692 7.7542 117.6021 66.0503 31.4636 177.9466 21 A 3.8661 8.0796 120.4488 55.0376 18.1779 179.3824 22 I 3.7622 8.2543 118.7737 64.9585 37.2757 178.4012 23 N 4.3934 7.8736 116.5818 56.2708 38.3005 177.4694 24 Q 3.8076 8.2233 120.9872 59.4389 29.1188 177.6701 25 Y 4.3408 8.1020 118.0512 61.1010 37.9978 178.6503 26 F 3.9004 8.4730 121.5532 61.0382 39.5100 176.8473 27 L 3.9594 8.1655 119.9971 58.6230 41.8343 178.5040 28 H 3.7701 8.3174 115.9204 58.7708 28.5720 177.2994 29 A 4.1717 8.1954 122.6059 55.6835 18.1528 179.9136 30 R 3.8112 7.6901 115.3914 58.7678 30.1359 179.2466 31 M 3.4026 7.7897 119.1161 58.0918 31.7649 178.4773 32 F 4.5678 7.4488 117.9089 60.5629 39.1217 177.5508 33 K 3.8831 8.2799 119.2619 59.6179 31.7783 177.9428 34 N 4.2308 8.0371 116.1265 56.7779 38.9116 176.2779 35 W 4.7729 7.9340 117.1191 57.6215 29.4049 177.2538 36 G 4.0001 8.3742 108.3209 45.8515 0.0000 174.1080 37 L 4.6748 8.1635 122.4323 52.5415 38.2521 176.7842 38 K 3.7985 7.9117 123.8950 59.8934 32.5728 177.5495 39 R 3.9023 8.2358 118.8178 59.3748 29.9633 178.4968 40 L 4.0952 7.7693 118.4509 57.3960 41.6121 178.5286 41 N 4.5367 8.2114 117.1437 56.9773 38.9024 176.6392 42 D 4.3046 8.0605 120.1077 57.3653 40.9175 179.0655 43 V 3.2688 7.5107 118.2590 65.9582 31.4574 178.0148 44 E 3.9110 8.2872 118.4088 59.2826 29.3107 178.6889 45 Y 3.8917 8.1978 119.7962 60.9128 38.8520 177.5382 46 H 3.9128 8.1575 119.0488 59.3105 29.9027 176.8626 47 E 3.4012 8.1361 120.6359 59.1748 29.0576 179.2156 48 S 4.1049 7.7485 112.9805 61.6039 62.4481 176.3714 49 I 3.5452 7.3725 122.2518 64.2744 36.7719 177.9860 50 D 4.1960 7.8835 119.7740 57.6124 40.6709 178.9623 51 E 4.1770 8.0803 118.7932 59.4970 29.3364 179.3043 52 M 4.0736 8.0346 118.9034 58.3501 32.0201 178.8569 53 K 3.9096 8.0855 118.5601 59.7331 32.1918 179.0936 54 H 4.1066 8.2423 116.1313 58.8125 28.5851 177.6048 55 A 4.2513 8.5511 122.9487 55.3227 18.1784 179.0406 56 D 4.2935 8.3517 116.6070 57.6752 41.2878 178.7174 57 R 3.8617 7.9201 118.4023 59.4130 30.0501 178.6201 58 Y 4.2739 7.7708 116.3572 61.2097 37.9297 178.6519 59 I 3.7565 8.1739 120.8993 64.7420 37.2723 178.4298 60 E 4.0593 8.4273 119.3013 59.1839 29.1725 179.5542 61 R 3.9961 8.1703 118.8319 59.5497 30.2590 178.3082 62 I 3.7605 8.3478 120.0116 64.6767 37.1821 178.3831 63 L 4.0186 8.0473 119.4414 57.7471 41.2539 179.2041 64 F 4.3391 8.2019 119.4372 61.3765 39.5699 176.4765 65 L 4.5884 8.0333 117.4186 54.0316 41.2476 177.2117 66 E 3.9342 7.9902 117.6750 57.3750 26.9848 174.5948 67 G 3.9352 8.2298 108.8640 44.1346 0.0000 173.6799 68 L 4.5510 8.0119 119.0626 51.9621 42.2394 175.1135 69 P 4.3749 0.0000 0.0000 62.6322 31.7601 176.0101 70 N 4.6893 9.5445 122.1851 52.4700 38.5730 174.1141 71 L 4.6180 8.2928 124.2290 54.5355 42.5807 177.5310 72 Q 4.1002 8.5250 121.7824 58.2089 29.3089 175.8806 73 D 4.6671 8.0833 117.1373 52.8127 41.8981 175.2695 74 L 4.5649 8.3028 125.5888 52.7761 43.9884 176.4581 75 G 3.8261 8.4320 115.5420 44.6645 0.0000 171.7589 76 K 4.1168 8.3003 120.6478 55.8096 32.5783 176.6122 77 L 4.2136 8.3089 126.4300 54.3611 42.3871 176.4023 78 N 4.8310 8.6707 120.7307 51.6933 39.5332 174.4318 79 I 3.7840 8.3377 125.2525 64.0555 37.6500 178.1372 80 G 4.4194 8.2157 102.7027 45.4044 0.0000 172.7308 81 E 4.7793 8.7664 116.9212 55.5864 31.9536 176.2221 82 D 4.9753 7.7133 117.7620 50.2742 43.9927 176.1050 83 V 4.0519 8.5126 119.3259 66.6296 31.3400 177.6994 84 E 3.8638 8.1951 118.0969 59.3353 29.4322 178.1691 85 E 3.9499 8.4248 119.3911 59.4757 29.6808 178.7027 86 M 4.2155 8.3434 117.1604 58.3215 31.3704 178.5848 87 L 4.1664 8.3384 120.2449 57.7186 41.7859 179.7024 88 R 3.9708 8.3222 118.2519 59.1976 29.9392 179.1006 89 S 4.1346 8.1413 113.0384 61.3812 62.3579 175.8946 90 D 4.2065 8.1852 121.6762 57.1520 40.5310 178.4752 91 L 3.9764 8.1265 120.4590 58.2469 42.1882 178.6115 92 A 3.9922 8.3761 121.0822 55.3353 18.2706 179.3901 93 L 3.9141 7.9391 118.5419 58.2827 42.0845 178.9994 94 E 4.0704 8.4202 118.6328 59.4548 29.4263 179.3456 95 L 4.0236 8.1664 119.0152 58.0066 41.7183 179.3636 96 D 4.4883 8.2927 118.9453 57.3556 40.7679 179.1494 97 G 3.6408 8.3315 106.0722 47.6406 0.0000 175.7033 98 A 4.0699 8.4434 123.4835 54.6351 18.4952 179.4912 99 K 3.8469 8.0600 118.2362 59.9505 32.2799 178.7308 100 N 4.4116 8.1420 116.5409 56.2601 38.3436 177.3520 101 L 4.0024 8.0442 120.3370 57.9470 41.8723 179.7996 102 R 3.8922 8.1221 117.9207 59.0796 29.9685 178.7291 103 E 3.8509 8.0537 118.3367 59.2988 29.6365 178.7079 104 A 2.8084 7.7357 120.6904 54.8545 18.2247 179.6705 105 I 3.7261 8.0202 118.6998 64.4057 36.9379 178.9117 106 G 3.5954 7.6893 105.2381 47.8795 0.0000 174.9029 107 Y 4.1053 7.9375 121.7752 60.3175 38.8000 177.4242 108 A 3.8233 8.2245 122.1155 55.2826 18.3774 179.0388 109 D 4.1213 7.7822 116.4039 57.5303 41.1163 178.7246 110 S 4.0938 7.4810 112.9015 60.3712 63.0896 175.7436 111 V 3.9558 6.8184 113.3465 60.4836 31.6562 175.3717 112 H 2.7565 7.0218 114.1939 56.7910 26.7536 176.2872 113 D 4.4985 7.4257 121.5935 53.6415 38.4591 175.8808 114 Y 4.3737 7.5894 121.8218 60.0231 38.3851 177.5056 115 V 3.7339 7.8551 120.1420 64.6388 31.7937 178.3686 116 S 4.1381 8.2014 115.3868 61.3445 62.6191 176.5154 117 R 3.8806 7.9827 121.2476 59.5727 29.9305 177.9485 118 D 4.3052 8.3121 117.7259 57.5276 41.2296 177.6920 119 M 3.9510 8.2265 118.7951 59.2076 32.1910 178.2098 120 M 4.1425 8.2914 118.6861 58.3352 32.0789 178.8939 121 I 3.7489 8.1534 120.5344 64.1937 37.2785 178.2393 122 E 3.9585 8.0820 119.2511 59.5306 29.2510 179.4983 123 I 3.5087 7.6682 119.7883 64.1905 37.0291 178.2736 124 L 3.9396 8.1138 121.3206 57.9904 41.9429 178.8812 125 R 3.8818 8.0621 118.7062 59.6267 30.0269 178.2051 126 D 4.3486 8.0152 118.4398 57.4735 40.8304 178.6910 127 E 4.0094 8.3233 119.1850 59.5178 29.4434 179.3255 128 E 4.3697 8.7362 119.0944 59.0594 29.4233 179.6804 129 G 3.6491 7.9344 105.6776 48.0441 0.0000 175.5188 130 H 4.5685 8.2918 118.7860 58.7428 28.6952 177.7713 131 I 3.8129 8.4003 121.9716 64.6142 37.0255 177.8190 132 D 4.3632 8.3681 118.6816 57.1160 41.0603 178.1067 133 W 4.1313 8.3592 128.7023 60.4604 30.7877 177.7962 134 L 3.7224 8.2158 118.8001 57.9261 41.1553 179.2747 135 E 3.9252 8.3799 118.5467 59.7907 29.3510 179.7233 136 T 3.7722 7.8490 115.4306 66.5941 68.5414 176.5062 137 E 3.7603 7.5837 120.2918 59.3905 29.1845 179.4247 138 L 3.7592 7.6543 118.7782 57.9309 41.6722 179.4398 139 D 4.3737 8.0162 118.7301 57.2353 40.6909 178.7644 140 L 4.0052 8.0093 119.6540 57.7376 41.6337 179.4991 141 I 3.3864 7.3194 119.7069 64.5352 36.7611 178.5391 142 Q 3.9762 7.3437 116.1316 58.6587 28.5920 178.5836 143 K 4.1326 7.9677 119.0629 59.0873 32.3406 178.5363 144 M 4.3670 8.1740 114.2819 54.0409 32.3630 177.2776 145 G 4.1179 7.5529 105.1511 45.9709 0.0000 174.4864 146 L 3.9870 8.3493 120.9476 57.9793 42.1662 179.2171 147 Q 3.9807 8.0669 117.5102 59.2292 28.8261 178.5754 148 N 4.3346 8.1347 116.7701 56.4063 38.4171 176.5628 149 Y 3.9871 7.9496 119.7774 60.7776 39.1831 177.9649 150 L 4.0590 8.5223 120.1670 57.8772 41.2095 179.2466 151 Q 3.9516 8.1539 119.2384 59.0479 28.7621 177.7507 152 A 4.1345 7.6666 119.3037 53.4998 18.7065 178.2581 153 Q 4.2589 7.7129 116.1530 55.7915 29.2579 177.3093 154 I 4.1983 7.2478 111.8287 61.6196 38.2477 176.2155 155 R 4.6603 7.5567 119.6856 53.7071 32.3752 175.4854 156 E 4.1125 8.4909 119.8082 56.0447 30.4523 175.9372 157 E 4.0994 8.4667 122.0767 55.4530 30.7248 176.5387 *158 G 3.7276 8.5424 113.3951 45.9051 0.0000 172.4021 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 1.79 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 2.51 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 1.47 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 8.85 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 3.88 0.00 1.69 1.84 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 0.80 1.00 7.81 7 V 8.33 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 1.10 0.00 0.00 1.16 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 0.67 0.92 0.00 0.00 9 N 8.15 4.24 0.00 2.66 2.66 0.00 0.00 7.08 7.06 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 10 Y 7.96 4.16 0.00 3.29 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 8.53 3.92 0.00 2.05 1.79 1.12 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 8.49 4.37 0.00 2.89 2.82 0.00 0.00 6.66 8.78 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 13 K 8.11 3.87 0.00 1.86 1.98 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 L 8.00 3.80 0.00 0.96 1.12 0.98 0.69 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 15 L 7.64 3.94 0.00 1.66 1.82 1.05 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.15 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 17 N 8.10 4.34 0.00 2.96 2.91 0.00 0.00 7.05 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.24 4.11 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 8.26 4.04 0.00 1.81 1.72 0.92 1.11 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 7.75 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 1.03 0.00 0.00 0.95 0.00 0.00 21 A 8.08 3.87 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 22 I 8.25 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 0.92 0.90 0.00 0.00 23 N 7.87 4.39 0.00 2.91 2.86 0.00 0.00 6.76 7.46 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 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 6.79 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 25 Y 8.10 4.34 0.00 3.22 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 26 F 8.47 3.90 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 8.17 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 8.32 3.77 0.00 3.48 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 1.41 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 30 R 7.69 3.81 0.00 1.77 1.89 0.00 3.27 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 1.77 0.00 31 M 7.79 3.40 0.00 0.81 1.49 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 2.41 2.17 0.00 32 F 7.45 4.57 0.00 3.30 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 8.28 3.88 0.00 2.06 1.91 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 34 N 8.04 4.23 0.00 2.66 2.68 0.00 0.00 7.36 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 35 W 7.93 4.77 0.00 3.74 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 8.37 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 8.16 4.67 0.00 2.19 1.67 1.07 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.91 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 8.24 3.90 0.00 2.10 2.00 0.00 3.53 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 1.02 1.08 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.21 4.54 0.00 3.11 3.02 0.00 0.00 7.19 8.51 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 42 D 8.06 4.30 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 -0.79 0.00 0.00 0.77 0.00 0.00 44 E 8.29 3.91 0.00 2.35 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 8.20 3.89 0.00 2.94 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 8.16 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 8.14 3.40 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 1.78 0.00 48 S 7.75 4.10 0.00 4.05 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 7.37 3.55 1.70 0.00 0.00 0.50 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 0.42 0.78 0.00 0.00 50 D 7.88 4.20 0.00 2.72 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 8.08 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 2.71 2.82 0.00 52 M 8.03 4.07 0.00 2.04 2.21 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 2.82 2.55 0.00 53 K 8.09 3.91 0.00 1.87 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 8.24 4.11 0.00 3.55 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 4.25 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 7.56 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 7.77 4.27 0.00 3.25 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 8.17 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 0.84 0.95 0.00 0.00 60 E 8.43 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 8.17 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 3.76 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 0.95 1.00 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 4.34 0.00 2.96 3.31 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 65 L 8.03 4.59 0.00 1.88 1.63 0.99 0.67 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 7.99 3.93 0.00 2.08 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 2.15 2.26 0.00 67 G 8.23 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.01 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 2.02 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 9.54 4.69 0.00 2.60 2.72 0.00 0.00 7.08 8.03 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 71 L 8.29 4.62 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 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.53 4.10 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.08 4.67 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 8.30 4.56 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 1.45 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 8.67 4.83 0.00 2.62 2.69 0.00 0.00 7.21 7.28 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 79 I 8.34 3.78 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 8.22 4.42 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 0.00 81 E 8.77 4.78 0.00 1.98 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 7.71 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 8.51 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 1.29 0.00 0.00 1.30 0.00 0.00 84 E 8.20 3.86 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 8.42 3.95 0.00 2.38 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 8.34 4.22 0.00 2.20 1.82 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 3.04 0.00 87 L 8.34 4.17 0.00 2.06 1.77 1.27 0.82 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 88 R 8.32 3.97 0.00 2.00 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 4.13 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 3.12 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 8.13 3.98 0.00 1.91 1.89 0.98 0.81 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 92 A 8.38 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 7.94 3.91 0.00 1.88 1.82 0.90 0.93 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 8.42 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 8.17 4.02 0.00 2.05 1.74 0.96 1.03 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 8.29 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 8.33 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 8.44 4.07 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 99 K 8.06 3.85 0.00 2.05 2.05 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 3.01 2.90 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 0.86 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 8.12 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 8.05 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 7.74 2.81 1.11 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 0.00 105 I 8.02 3.73 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 1.46 1.47 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 7.94 4.11 0.00 3.14 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 0.00 108 A 8.22 3.82 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 7.78 4.12 0.00 2.81 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 7.48 4.09 0.00 3.98 3.87 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 0.00 0.00 0.00 111 V 6.82 3.96 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 0.47 0.00 0.00 0.61 0.00 0.00 112 H 7.02 2.76 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 7.43 4.50 0.00 2.61 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 7.59 4.37 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 7.86 3.73 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 0.90 0.00 0.00 0.96 0.00 0.00 116 S 8.20 4.14 0.00 3.98 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 7.98 3.88 0.00 1.91 2.19 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 1.70 1.68 0.00 118 D 8.31 4.31 0.00 2.99 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 8.23 3.95 0.00 2.24 2.02 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 2.47 2.41 0.00 120 M 8.29 4.14 0.00 2.15 2.31 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 2.89 2.81 0.00 121 I 8.15 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 1.06 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 7.67 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 0.50 0.73 0.00 0.00 124 L 8.11 3.94 0.00 1.86 1.88 0.95 0.72 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 8.06 3.88 0.00 2.04 2.12 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 1.69 0.00 126 D 8.02 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 8.32 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 8.74 4.37 0.00 2.02 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 2.54 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 0.89 0.97 0.00 0.00 132 D 8.37 4.36 0.00 2.99 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 8.36 4.13 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 1.35 1.35 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 2.56 0.00 136 T 7.85 3.77 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 7.65 3.76 0.00 1.72 1.61 0.88 0.88 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 4.01 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 1.72 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.32 3.39 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 -0.15 0.04 0.72 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 7.97 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 8.17 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 8.35 3.99 0.00 1.75 1.67 0.97 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 8.13 4.33 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 7.95 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 8.52 4.06 0.00 2.01 1.70 1.06 0.83 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 8.15 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 2.36 0.00 152 A 7.67 4.13 1.22 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 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 2.15 0.00 154 I 7.25 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 1.51 1.44 0.94 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 4.10 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.