NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7276 8.2133 109.7456 45.2381 0.0000 172.3893 *30 R 4.5625 8.0557 116.5727 56.0357 31.0543 175.4371 31 F 4.7960 8.5895 120.1800 55.8408 42.1808 173.8183 32 N 4.6932 8.3065 119.6763 51.7969 39.6169 171.8099 33 P 4.5836 0.0000 0.0000 62.8531 32.0664 176.8873 34 F 5.0456 7.9514 117.0121 56.9470 37.9676 175.5724 35 I 4.1437 7.3071 120.4174 59.9262 39.6147 174.4406 36 H 4.5652 8.6730 127.1441 56.0844 30.2883 173.3436 37 Q 4.9882 8.5949 127.8472 55.2781 30.2534 174.5613 38 Q 4.6536 8.9324 122.6890 55.1146 32.6641 172.8320 39 D 4.9447 8.6280 120.6745 53.5928 42.7352 175.3413 40 V 4.4825 8.7795 123.8348 61.2794 34.2005 173.6134 41 Y 5.0729 9.2410 126.2111 56.8017 39.8432 175.2720 42 V 4.9539 8.9771 116.5173 59.6604 36.3304 174.1506 43 Q 4.9118 8.6569 122.9721 54.3346 31.3957 176.4134 44 I 4.2066 8.5652 127.5691 60.6242 34.8791 175.7429 45 D 4.8975 8.2037 120.3720 52.8753 40.9069 177.3636 46 R 4.7228 7.8028 117.7901 54.3013 33.1033 175.2838 47 D 4.5846 8.4973 120.7063 54.2176 41.5323 176.6136 48 G 3.2871 8.1126 109.3106 45.4421 0.0000 172.2273 49 R 4.6105 8.1501 120.0664 54.2853 32.2789 174.6102 50 H 4.7134 8.8831 126.9772 56.1662 30.7868 174.0349 51 L 4.7039 8.3239 125.5851 52.8694 44.3800 175.8476 52 S 4.5765 8.6380 118.5981 56.6895 63.4543 171.1589 53 P 4.5744 0.0000 0.0000 62.5350 32.4103 175.5608 54 G 3.9598 8.9151 109.5848 46.2028 0.0000 172.6381 55 G 4.1747 7.8574 106.4073 44.5468 0.0000 173.3949 56 T 4.9808 8.5865 116.7219 61.5708 72.8687 172.6533 57 E 4.7144 9.2388 128.3916 55.4007 31.3368 174.1905 58 Y 4.5630 8.2004 124.8618 56.3192 40.5207 174.7712 59 T 4.9163 8.4696 120.7068 61.8834 70.7195 173.4240 60 L 4.8800 8.9206 126.4132 52.8768 46.0309 175.6150 61 D 4.9657 8.7681 121.9689 53.3234 42.0346 175.6068 62 G 4.4439 8.7286 113.8679 44.9515 0.0000 170.3093 63 Y 5.7593 8.9915 116.3203 56.0529 42.9637 175.5921 64 N 5.3625 9.1998 120.0649 50.8198 39.1202 175.5107 65 A 4.1665 8.8121 121.0448 55.2456 18.2434 178.4348 66 S 4.5278 8.2680 107.9366 58.1636 63.2037 174.9114 67 G 3.9329 8.6716 107.8834 46.1138 0.0000 174.2344 68 K 4.2551 8.2866 121.4760 55.5974 32.8305 176.2961 69 K 4.3355 8.5727 125.1729 56.6262 32.7859 176.1798 70 E 4.7402 8.9251 123.1458 54.4578 34.1474 173.9833 71 E 5.1399 8.7770 123.1652 54.3479 31.8445 175.2010 72 V 4.5731 8.7729 126.5784 60.1639 34.3288 174.5390 73 T 5.1151 8.5607 120.5056 61.7259 70.9759 173.1794 74 F 4.7709 8.5511 120.0235 55.8193 42.0245 172.7993 75 F 5.6622 8.9101 117.3035 55.9247 41.2616 175.0529 76 A 5.2683 9.4610 123.6129 50.4800 22.5857 176.8881 77 G 4.1625 9.0843 106.2262 45.1812 0.0000 173.7711 78 K 4.6775 7.8158 119.6804 54.1504 35.3773 175.3862 79 E 4.1896 8.9643 124.5641 57.0462 29.8750 177.1908 80 L 4.3291 8.9899 126.5094 54.5328 42.6531 177.8075 81 R 4.0809 8.3166 119.8298 55.6971 30.0130 177.1955 82 K 4.0564 8.4850 124.1397 56.9305 32.7091 176.3247 83 N 3.9847 9.1746 121.4983 53.5560 37.1371 174.4366 84 A 4.1414 7.3854 120.6325 52.3114 19.9046 176.4278 85 Y 5.2648 8.5498 116.6312 56.2968 41.0014 174.8560 86 L 5.2302 9.2037 123.1774 52.8266 45.6992 175.4100 87 K 4.1713 8.9049 124.7647 55.1548 33.7039 175.1047 88 V 4.6407 8.6202 128.7269 61.0871 33.6733 174.3516 89 K 4.6738 9.0502 130.1781 55.6545 33.3246 174.9227 90 A 5.1065 9.0179 130.3182 50.1654 21.6642 175.3785 91 K 4.4608 8.9320 123.4527 54.0280 34.7988 176.3065 92 G 3.7526 9.0698 120.5342 46.9899 0.0000 173.9061 93 K 4.2268 8.4959 124.0100 56.9844 32.9484 175.8966 94 Y 4.9736 7.8842 118.7591 56.3450 39.6785 175.1057 95 V 4.0508 8.4417 124.0042 62.8433 32.2191 174.8536 96 E 4.2685 8.9657 128.7173 58.0274 30.2384 175.2592 97 T 4.6216 7.2671 110.7446 61.1632 71.0708 171.0185 98 W 5.8056 7.7211 120.1001 55.2844 31.4852 173.6286 99 E 4.8947 9.0690 117.3133 54.8073 32.7717 174.0953 100 E 4.7832 8.9580 122.3109 56.6774 30.4526 176.1946 101 V 4.7459 8.6867 118.3357 59.4259 36.0313 175.7558 102 K 4.3831 8.6237 121.9755 55.8849 33.0033 177.8976 103 F 3.5798 9.1667 124.7324 61.3112 39.1586 176.7180 104 E 3.9634 8.2475 116.2288 58.8158 30.0268 177.1670 105 D 4.4491 7.3737 121.9663 52.4098 39.6246 174.3315 *107 P 4.0263 0.0000 0.0000 61.6605 34.4709 176.6505 108 D 4.3448 8.2985 118.8663 57.9763 40.9700 179.0267 109 S 4.0577 7.9165 114.8607 61.4109 62.7361 176.8615 110 V 3.4452 7.4003 120.4804 65.9987 31.4505 177.7305 111 Q 3.5569 7.6620 117.7795 58.9071 28.1942 179.1809 112 S 4.0164 7.6886 112.9175 61.5130 62.5808 176.1911 113 K 3.9120 7.3558 119.7273 58.6106 31.7779 178.5197 114 L 4.6342 8.0059 117.0420 54.3819 42.1663 176.7863 115 K 4.2202 8.0269 123.7684 57.2755 32.3758 176.5925 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 0 G 8.21 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 *30 R 8.06 4.56 0.00 1.75 1.91 0.00 3.21 0.00 0.00 2.59 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 31 F 8.59 4.80 0.00 2.92 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 32 N 8.31 4.69 0.00 2.26 2.69 0.00 0.00 6.05 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 33 P 0.00 4.58 0.00 2.03 2.00 0.00 2.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.69 0.00 34 F 7.95 5.05 0.00 3.16 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 35 I 7.31 4.14 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.95 0.00 0.00 36 H 8.67 4.57 0.00 3.26 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.59 4.99 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.51 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 38 Q 8.93 4.65 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 39 D 8.63 4.94 0.00 2.60 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 0.00 0.00 0.00 0.00 40 V 8.78 4.48 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.89 0.00 0.00 41 Y 9.24 5.07 0.00 3.21 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 42 V 8.98 4.95 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 0.71 0.00 0.00 0.97 0.00 0.00 43 Q 8.66 4.91 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.53 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 44 I 8.57 4.21 1.87 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 1.29 0.40 0.77 0.00 0.00 45 D 8.20 4.90 0.00 2.66 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 46 R 7.80 4.72 0.00 1.82 1.85 0.00 3.20 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 47 D 8.50 4.58 0.00 2.65 2.58 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 0.00 0.00 0.00 0.00 48 G 8.11 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.15 4.61 0.00 1.75 1.66 0.00 3.06 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 50 H 8.88 4.71 0.00 3.14 3.19 0.00 5.92 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.32 4.70 0.00 1.44 1.39 0.95 0.46 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 52 S 8.64 4.58 0.00 3.85 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 53 P 0.00 4.57 0.00 2.20 2.02 0.00 3.89 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 54 G 8.92 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.86 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 56 T 8.59 4.98 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 0.65 0.00 0.00 57 E 9.24 4.71 0.00 2.11 1.73 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 2.07 2.16 0.00 58 Y 8.20 4.56 0.00 1.57 2.32 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 59 T 8.47 4.92 4.18 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 1.18 0.00 0.00 60 L 8.92 4.88 0.00 1.60 1.53 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.77 4.97 0.00 2.52 2.49 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 62 G 8.73 4.44 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 0.00 63 Y 8.99 5.76 0.00 3.04 2.88 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 0.00 0.00 0.00 64 N 9.20 5.36 0.00 3.10 3.02 0.00 0.00 6.59 7.18 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 65 A 8.81 4.17 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 66 S 8.27 4.53 0.00 4.00 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 67 G 8.67 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 K 8.29 4.26 0.00 1.97 1.90 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.43 1.28 7.81 69 K 8.57 4.34 0.00 1.68 1.63 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.67 7.81 70 E 8.93 4.74 0.00 1.74 1.73 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 2.31 2.35 0.00 71 E 8.78 5.14 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.38 0.00 72 V 8.77 4.57 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 0.82 0.00 0.00 1.08 0.00 0.00 73 T 8.56 5.12 4.18 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 1.02 0.00 0.00 74 F 8.55 4.77 0.00 3.12 3.06 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 75 F 8.91 5.66 0.00 3.13 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 76 A 9.46 5.27 1.60 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 77 G 9.08 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.82 4.68 0.00 1.77 1.75 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.52 7.81 79 E 8.96 4.19 0.00 2.07 2.01 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 0.00 2.38 2.41 0.00 80 L 8.99 4.33 0.00 1.33 1.45 0.24 0.86 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 81 R 8.32 4.08 0.00 1.74 1.82 0.00 3.25 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 82 K 8.49 4.06 0.00 1.69 1.72 0.00 1.90 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.50 7.81 83 N 9.17 3.98 0.00 2.77 2.74 0.00 0.00 6.96 7.31 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 84 A 7.39 4.14 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 85 Y 8.55 5.26 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 86 L 9.20 5.23 0.00 1.42 1.46 0.19 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.90 4.17 0.00 1.86 1.66 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 0.71 7.81 88 V 8.62 4.64 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 0.59 0.00 0.00 0.67 0.00 0.00 89 K 9.05 4.67 0.00 1.81 1.64 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.36 7.81 90 A 9.02 5.11 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 91 K 8.93 4.46 0.00 1.86 1.74 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.24 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.44 7.81 92 G 9.07 3.75 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 0.00 0.00 0.00 93 K 8.50 4.23 0.00 1.79 1.81 0.00 1.46 0.00 0.00 1.59 0.00 0.00 2.73 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.00 0.80 7.81 94 Y 7.88 4.97 0.00 3.15 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 95 V 8.44 4.05 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 0.82 0.00 0.00 1.01 0.00 0.00 96 E 8.97 4.27 0.00 2.00 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 2.25 2.23 0.00 97 T 7.27 4.62 4.15 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 0.00 0.00 1.14 0.00 0.00 98 W 7.72 5.81 0.00 3.13 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 99 E 9.07 4.89 0.00 2.06 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 2.19 2.30 0.00 100 E 8.96 4.78 0.00 2.15 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 2.43 2.56 0.00 101 V 8.69 4.75 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 0.85 0.00 0.00 1.17 0.00 0.00 102 K 8.62 4.38 0.00 2.03 1.80 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.49 7.81 103 F 9.17 3.58 0.00 2.75 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.25 3.96 0.00 2.12 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 2.32 2.34 0.00 105 D 7.37 4.45 0.00 2.84 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 *107 P 0.00 4.03 0.00 1.99 1.89 0.00 2.57 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.03 0.00 108 D 8.30 4.34 0.00 2.69 2.59 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 0.00 109 S 7.92 4.06 0.00 4.01 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 0.00 110 V 7.40 3.45 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.83 0.00 0.00 111 Q 7.66 3.56 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.81 0.00 112 S 7.69 4.02 0.00 3.90 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 0.00 113 K 7.36 3.91 0.00 0.89 0.74 0.00 1.42 0.00 0.00 1.45 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.49 1.12 7.81 114 L 8.01 4.63 0.00 1.77 2.05 1.17 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.03 4.22 0.00 1.91 2.15 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.67 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.