NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7819 8.4249 118.3572 52.7045 38.8922 173.6760 3 K 4.1886 8.7817 120.6076 54.8616 34.3896 170.4012 4 V 4.9406 8.7667 122.5336 61.4828 34.8260 173.6458 5 Y 5.3584 9.3289 124.1933 56.1172 42.4086 174.1006 6 L 5.4262 9.0413 122.2170 53.6072 45.5817 175.2562 7 A 4.9366 9.1262 126.5278 51.1383 23.3818 175.8640 8 N 5.0272 8.8040 112.9346 51.6786 37.8192 174.5040 9 A 4.4446 7.3127 118.6794 51.8446 21.7432 175.4836 10 F 5.0269 8.7038 122.0027 56.3559 41.7894 174.9946 11 S 4.2500 7.3312 120.1619 56.0273 65.7315 174.2985 12 I 3.5344 8.2466 127.4771 64.5812 36.9004 177.8568 13 N 4.5327 7.8975 115.1143 55.1104 37.3506 175.8036 14 M 4.3576 7.8939 118.6148 56.7758 32.3078 175.9494 15 L 4.5567 7.8996 119.9075 53.8980 42.8456 176.4384 16 T 4.1170 7.6348 113.9518 63.6087 69.6120 175.3546 17 K 4.3015 7.2541 121.6954 54.4806 33.3847 176.3087 18 F 4.9418 8.1668 119.5238 54.8739 42.8554 173.1780 19 P 4.7455 0.0000 0.0000 63.0647 32.0464 175.7240 20 T 4.6860 8.2400 115.1709 61.6628 72.2232 173.1795 21 K 4.5744 8.4657 124.4097 54.5676 34.2059 175.5201 22 V 4.4883 8.1651 124.5585 61.1292 34.3271 174.3387 23 V 4.2719 8.4793 128.1553 61.4232 33.2376 174.3265 24 I 4.9791 8.3401 128.2470 59.5328 39.6604 174.3497 25 D 5.0566 9.1686 126.5665 52.1820 44.6842 174.2186 26 K 4.5773 8.8241 126.4701 55.6071 33.0073 175.6356 27 I 4.8420 8.5370 120.9889 58.9788 40.9981 174.8823 28 D 4.7914 8.4453 122.8757 52.1578 41.1718 177.3075 29 R 3.4005 8.4721 118.2717 59.2181 29.8292 178.2484 30 L 3.9335 7.8868 118.4384 57.7678 41.8641 178.9057 31 E 3.8983 8.4813 119.2606 59.1736 29.5550 178.2433 32 F 3.9717 8.1043 120.6934 61.6081 39.4073 176.3439 33 C 3.9159 8.2870 115.7299 59.9575 39.8708 175.5926 34 E 3.7423 7.7010 119.5212 59.6961 29.1283 178.4723 35 N 4.2908 7.4157 115.0694 55.5264 38.6890 176.8716 36 I 3.9090 6.9066 112.5515 61.5333 39.4873 176.2701 37 D 4.6224 7.5438 122.1270 53.2456 39.2408 174.5326 38 N 5.1155 7.3892 117.1718 51.1043 43.1663 175.1899 39 E 4.0804 8.7829 119.5007 58.7196 29.7531 177.6774 40 D 4.8253 7.7929 115.4471 53.6428 42.0115 175.9342 41 I 4.0617 7.6513 120.3443 61.0521 38.9837 174.7785 42 I 4.5054 8.2728 129.3884 59.6328 39.4251 173.8598 43 N 5.1207 8.9006 125.8864 51.8317 40.1653 174.1917 44 S 5.1419 8.6466 119.2255 57.1805 64.5071 173.7003 45 I 4.1498 8.8192 123.7382 61.1917 37.5604 176.7536 46 G 3.8678 8.8977 115.0223 45.8045 0.0000 173.3210 47 H 4.5267 8.0120 118.7088 54.6942 29.6990 175.0253 48 D 4.3593 8.7813 125.7387 57.6179 41.1559 178.1284 49 S 4.1619 8.1994 114.9832 62.2576 62.8545 176.8950 50 T 3.9346 7.9220 117.5727 66.5357 68.2045 176.6504 51 I 3.7737 7.8630 121.7704 64.7305 37.1905 178.5966 52 Q 4.1329 8.5090 119.0759 58.5561 28.4475 178.6802 53 L 3.9124 7.9576 121.5874 58.2874 42.1370 179.1211 54 I 3.8894 7.8457 119.7611 64.4067 36.9885 178.1393 55 N 4.4706 8.6028 119.0731 56.0332 38.2132 177.6573 56 S 4.1378 8.1724 115.5151 61.4821 62.9639 176.2246 57 L 4.0895 8.3427 122.5243 57.3957 41.9931 177.2848 58 C 4.8088 8.4228 114.0400 55.4589 41.8319 173.8041 59 G 3.6529 8.4349 108.8319 47.0115 0.0000 173.1593 60 T 4.4629 7.6554 109.8067 59.7149 71.9220 173.3838 61 T 4.6029 7.2696 107.8095 60.8072 68.5264 174.0739 62 F 4.4667 8.1902 119.4285 58.2905 40.1308 175.6855 63 Q 4.7715 8.4025 121.9044 53.3412 31.3854 175.6546 64 K 4.1963 8.5806 120.5195 57.6199 33.1610 176.1078 65 N 4.7741 9.2858 125.0130 52.2096 41.8115 173.2538 66 R 4.4261 8.5901 126.3988 55.9520 30.8135 176.4441 67 V 4.4973 8.2689 122.5734 61.2022 35.3770 174.1811 68 E 4.3979 8.8135 126.4575 54.5203 29.4027 175.1454 69 I 4.1088 7.8920 120.2616 59.3175 39.2732 174.7466 70 K 4.8235 8.0973 121.5666 54.6652 34.4766 175.4940 71 L 4.5506 9.2325 126.7739 54.2188 43.3534 176.8723 72 E 4.6617 9.1305 123.5643 53.9415 32.8215 175.1528 73 K 3.9448 8.3849 121.1893 58.5170 32.3681 176.6444 74 E 4.0844 8.8521 124.1076 56.5121 28.4270 174.6784 75 D 4.8278 7.6321 118.1024 54.6365 42.3468 175.6761 76 K 4.9701 8.9145 119.8849 54.5169 36.2270 175.1245 77 L 5.1624 8.6359 125.2776 53.6465 45.2515 174.5977 78 Y 5.1369 9.0950 125.4130 57.0030 39.6936 174.7983 79 V 5.0640 9.1067 124.7267 61.1727 34.5444 174.4135 80 V 4.3195 8.7323 128.0329 61.5928 33.0680 174.0700 81 Q 4.7427 9.0978 131.0792 54.7245 30.5101 175.3824 82 I 4.3990 8.3534 127.3880 60.0117 39.2608 174.8414 83 S 3.5064 7.7725 113.9833 59.8140 60.8119 172.0463 *93 T 4.1789 7.5221 107.5055 61.0023 71.0588 173.0247 94 L 4.0064 8.2054 121.5590 57.9660 42.0084 178.7451 95 E 3.9476 8.0702 118.3643 59.5805 29.5809 178.9829 96 E 4.0493 7.9419 118.5493 59.1895 29.3361 179.2992 97 I 3.7828 7.5774 118.7059 63.8241 38.0729 177.8027 98 L 4.0851 8.0041 120.0024 57.6825 41.4534 179.6344 99 K 3.9848 8.1104 118.3022 59.5165 31.9897 179.1685 100 L 4.0607 7.9962 120.5260 57.4766 41.4557 179.0990 101 Y 4.0516 8.3707 119.4852 60.8114 38.4884 178.0012 102 E 3.8188 8.2912 118.8799 58.6508 29.5849 178.3673 103 S 4.5169 7.9761 112.7915 58.0255 63.0684 175.2192 104 G 3.7391 7.3792 109.9730 46.4010 0.0000 174.2392 105 K 4.4242 8.3233 117.3368 55.7511 33.3680 175.9223 106 V 4.4999 7.5610 120.3489 61.2327 33.7450 174.5419 107 Q 4.2677 8.9660 126.3120 53.8262 33.3559 174.2940 108 F 5.2739 7.8130 118.1643 55.8163 42.6339 174.4049 109 F 5.4086 9.2431 120.4934 55.8206 43.6419 173.0478 110 E 4.8195 9.3896 123.5895 54.5571 31.8840 174.5489 111 I 4.8339 8.2816 127.0116 59.5743 40.7071 174.2629 112 I 4.6944 8.4685 128.0657 59.3961 39.7745 176.1587 113 V 3.9473 8.0678 125.4018 62.9560 30.9985 175.3553 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 2 N 8.42 4.78 0.00 2.83 2.90 0.00 0.00 6.06 6.25 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 3 K 8.78 4.19 0.00 1.61 1.28 0.00 1.69 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.42 7.81 4 V 8.77 4.94 2.08 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 1.23 0.00 0.00 0.97 0.00 0.00 5 Y 9.33 5.36 0.00 2.94 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 6 L 9.04 5.43 0.00 1.69 1.53 1.11 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 7 A 9.13 4.94 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 8 N 8.80 5.03 0.00 2.86 2.96 0.00 0.00 6.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.31 4.44 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.70 5.03 0.00 2.85 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 11 S 7.33 4.25 0.00 3.65 3.45 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 12 I 8.25 3.53 1.78 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 1.44 0.34 0.93 0.00 0.00 13 N 7.90 4.53 0.00 2.81 2.91 0.00 0.00 6.04 7.66 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 14 M 7.89 4.36 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 15 L 7.90 4.56 0.00 1.60 1.13 1.15 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.63 4.12 4.19 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 1.22 0.00 0.00 17 K 7.25 4.30 0.00 1.60 1.67 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.33 7.81 18 F 8.17 4.94 0.00 2.97 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 19 P 0.00 4.75 0.00 2.23 2.12 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 20 T 8.24 4.69 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 1.20 0.00 0.00 21 K 8.47 4.57 0.00 1.69 1.66 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.39 7.81 22 V 8.17 4.49 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 0.43 0.00 0.00 0.97 0.00 0.00 23 V 8.48 4.27 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 0.89 0.00 0.00 0.91 0.00 0.00 24 I 8.34 4.98 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.66 0.83 0.00 0.00 25 D 9.17 5.06 0.00 2.79 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.82 4.58 0.00 1.93 1.71 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.71 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.23 0.83 7.81 27 I 8.54 4.84 1.96 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.99 1.07 0.00 0.00 28 D 8.45 4.79 0.00 2.96 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 29 R 8.47 3.40 0.00 1.91 2.00 0.00 3.20 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 30 L 7.89 3.93 0.00 1.90 1.68 0.92 0.84 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 31 E 8.48 3.90 0.00 2.07 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 0.00 2.52 2.33 0.00 32 F 8.10 3.97 0.00 2.86 2.74 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 0.00 0.00 0.00 0.00 33 C 8.29 3.92 0.00 2.92 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 34 E 7.70 3.74 0.00 2.08 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 2.32 0.00 35 N 7.42 4.29 0.00 2.00 1.70 0.00 0.00 7.06 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 36 I 6.91 3.91 1.65 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.36 0.10 0.00 0.00 37 D 7.54 4.62 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.39 5.12 0.00 2.66 2.62 0.00 0.00 7.27 7.66 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 39 E 8.78 4.08 0.00 1.93 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 2.27 2.30 0.00 40 D 7.79 4.83 0.00 2.61 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 41 I 7.65 4.06 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.79 1.19 0.00 0.00 42 I 8.27 4.51 1.63 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.49 1.07 0.00 0.00 43 N 8.90 5.12 0.00 2.65 2.79 0.00 0.00 6.94 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 44 S 8.65 5.14 0.00 4.05 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 45 I 8.82 4.15 1.96 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 1.21 0.74 0.97 0.00 0.00 46 G 8.90 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 0.00 0.00 0.00 47 H 8.01 4.53 0.00 3.20 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.78 4.36 0.00 2.77 2.70 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 0.00 0.00 0.00 0.00 49 S 8.20 4.16 0.00 3.94 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 50 T 7.92 3.93 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 51 I 7.86 3.77 2.11 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 1.76 0.97 1.05 0.00 0.00 52 Q 8.51 4.13 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 53 L 7.96 3.91 0.00 1.79 1.87 0.79 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.85 3.89 2.14 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.79 1.14 0.00 0.00 55 N 8.60 4.47 0.00 2.95 2.96 0.00 0.00 6.60 7.17 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 56 S 8.17 4.14 0.00 4.00 3.92 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 57 L 8.34 4.09 0.00 1.67 1.68 0.62 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.42 4.81 0.00 3.09 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 59 G 8.43 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 60 T 7.66 4.46 3.74 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 0.00 0.00 0.00 1.15 0.00 0.00 61 T 7.27 4.60 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 1.13 0.00 0.00 62 F 8.19 4.47 0.00 3.28 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 63 Q 8.40 4.77 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 64 K 8.58 4.20 0.00 1.95 1.89 0.00 1.57 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 65 N 9.29 4.77 0.00 2.91 2.74 0.00 0.00 6.79 8.15 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 66 R 8.59 4.43 0.00 1.75 1.86 0.00 3.20 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 67 V 8.27 4.50 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 0.83 0.00 0.00 1.03 0.00 0.00 68 E 8.81 4.40 0.00 1.95 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 2.18 2.25 0.00 69 I 7.89 4.11 0.86 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.42 0.77 0.00 0.00 70 K 8.10 4.82 0.00 1.59 1.72 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.35 7.81 71 L 9.23 4.55 0.00 1.57 1.61 1.04 0.90 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 72 E 9.13 4.66 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 2.24 2.25 0.00 73 K 8.38 3.94 0.00 1.70 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 74 E 8.85 4.08 0.00 2.19 2.18 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 2.17 2.31 0.00 75 D 7.63 4.83 0.00 2.82 2.78 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 0.00 0.00 0.00 0.00 76 K 8.91 4.97 0.00 1.68 1.45 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.25 1.47 7.81 77 L 8.64 5.16 0.00 1.73 1.40 1.03 1.27 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 78 Y 9.09 5.14 0.00 3.08 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 79 V 9.11 5.06 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 1.08 0.00 0.00 1.05 0.00 0.00 80 V 8.73 4.32 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 0.74 0.00 0.00 1.07 0.00 0.00 81 Q 9.10 4.74 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 82 I 8.35 4.40 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.89 0.00 0.00 83 S 7.77 3.51 0.00 4.10 3.90 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 *93 T 7.52 4.18 4.40 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 1.22 0.00 0.00 94 L 8.21 4.01 0.00 1.80 1.72 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.07 3.95 0.00 2.11 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 2.41 2.47 0.00 96 E 7.94 4.05 0.00 1.96 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 2.34 2.47 0.00 97 I 7.58 3.78 2.02 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 1.55 1.64 1.02 0.00 0.00 98 L 8.00 4.09 0.00 2.04 1.77 0.95 0.97 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 99 K 8.11 3.98 0.00 2.01 1.87 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.60 7.81 100 L 8.00 4.06 0.00 1.88 1.74 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.37 4.05 0.00 3.05 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 0.00 102 E 8.29 3.82 0.00 2.12 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 2.70 2.52 0.00 103 S 7.98 4.52 0.00 4.03 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 0.00 104 G 7.38 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.32 4.42 0.00 1.74 1.80 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.50 7.81 106 V 7.56 4.50 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 0.56 0.00 0.00 0.99 0.00 0.00 107 Q 8.97 4.27 0.00 1.95 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.53 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 108 F 7.81 5.27 0.00 2.99 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.24 5.41 0.00 3.06 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 0.00 110 E 9.39 4.82 0.00 2.23 1.86 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 2.04 1.82 0.00 111 I 8.28 4.83 1.73 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.59 0.38 0.00 0.00 112 I 8.47 4.69 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.83 0.88 0.00 0.00 113 V 8.07 3.95 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 0.72 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.