NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3123 8.1749 117.3352 62.8025 68.7227 172.8729 5 F 4.2465 7.9551 125.2231 57.2643 39.6739 172.5802 6 E 4.5090 9.5039 125.1086 55.1191 31.5600 175.7986 7 I 4.0163 8.1644 122.2465 63.1776 37.4926 176.5519 8 G 4.0628 9.3226 114.1854 44.3490 0.0000 173.6010 9 E 4.0224 8.2656 121.8667 56.5599 30.8780 175.7873 10 I 4.6064 8.2906 127.3654 60.8703 38.7543 175.2627 11 V 5.0232 8.9230 119.8155 59.9184 36.6415 174.2997 12 T 4.8844 8.8777 112.6586 60.6111 71.1478 174.0673 13 G 4.4930 8.9294 109.8660 44.7100 0.0000 171.1649 14 I 5.0991 8.5080 124.2430 59.6410 39.2486 174.9409 15 Y 4.5915 9.3337 128.2090 57.2830 41.6304 174.8549 16 K 3.6030 9.2416 128.4647 57.6963 29.6916 176.3392 17 T 3.4896 8.1387 106.1726 61.7646 68.5057 172.0133 18 G 4.0202 7.8602 109.8530 45.2731 0.0000 172.6920 19 K 5.0795 8.2721 121.3276 54.6092 35.6020 174.7046 20 Y 5.0695 8.9087 123.2761 56.3739 42.8600 174.0164 21 I 4.5766 8.5759 122.6813 60.3018 39.6877 175.6433 22 G 3.8706 8.5955 112.1194 45.7625 0.0000 170.5437 23 E 5.1774 8.6513 120.2463 54.0284 33.2130 176.2722 24 V 4.1352 8.7586 127.9980 63.6092 31.9666 176.1059 25 T 4.7106 8.8757 117.5466 61.9600 70.9202 173.3663 26 N 5.0506 7.9186 119.2101 52.7439 42.7839 172.7306 27 S 5.0473 8.4411 116.2993 56.8023 65.7648 173.0937 28 R 4.5889 8.5479 121.4549 53.3552 32.4737 172.3560 29 P 4.1537 0.0000 0.0000 64.6964 31.2134 176.4407 30 G 3.8725 9.8339 109.9594 45.5368 0.0000 172.0166 31 S 5.1556 7.5630 112.7788 57.3370 66.5100 172.7400 32 Y 5.1751 9.0737 121.7049 56.1028 42.0948 174.8068 33 V 4.3403 8.6283 123.7693 62.4977 33.0629 174.7693 34 V 4.7183 9.1013 128.5687 60.8969 34.5333 173.9417 35 K 4.6338 8.9377 130.0889 55.1438 33.6382 175.6664 36 V 4.0764 8.6301 129.1494 63.0726 31.8562 176.1664 37 L 5.2604 8.9736 127.2919 55.6301 44.1958 176.2482 38 A 4.7257 7.9719 117.8005 51.1018 22.7043 175.0212 39 V 4.3496 8.4178 120.2783 61.5130 32.3781 175.5728 40 L 4.3368 8.6411 128.1759 56.0550 43.1231 177.3226 41 K 4.4447 7.2516 119.5414 54.6603 35.5024 175.0476 42 H 4.5948 8.8905 128.0692 55.1570 30.4937 173.1246 43 P 4.5247 0.0000 0.0000 62.6073 31.9289 176.3565 44 V 3.8653 8.5559 121.3983 63.2891 32.0486 175.7378 45 Q 4.4556 8.4211 123.8891 54.6999 30.3462 175.2286 *61 E 4.1793 8.2607 118.7690 55.4346 31.1926 176.0481 62 R 4.4761 7.7223 126.5082 54.5095 30.3790 175.2616 63 R 4.5717 8.3391 123.8037 54.6556 31.4239 176.9126 64 A 4.3516 9.1278 124.9734 51.9875 19.0167 177.7802 65 L 4.0623 8.8599 121.2755 55.1039 42.3136 177.6925 66 A 4.2910 9.3226 125.4245 51.1039 19.2925 176.9081 67 F 3.7497 7.5751 122.2374 59.4804 39.5327 175.8763 68 R 3.5234 8.2584 125.9973 55.8349 28.4277 176.0100 69 E 3.9770 7.8752 120.8680 56.2657 30.8136 175.3078 70 Q 5.0039 8.4225 125.1648 54.6005 30.7193 175.0845 71 T 4.4281 8.8169 120.3396 61.4519 72.7135 172.5944 72 N 5.0078 8.6522 124.6005 53.2517 39.8751 174.0480 73 I 4.8243 9.1202 127.1818 58.5973 40.0207 173.6221 74 P 4.7009 0.0000 0.0000 62.7292 31.8316 176.6958 75 E 4.6094 8.6966 124.0995 59.9027 29.5291 179.5067 76 Q 4.1696 7.3957 116.3793 55.8650 27.9106 176.0538 *78 V 4.1865 7.6836 116.9577 62.8188 32.5782 174.3384 79 K 4.7765 8.8274 128.1816 53.9609 35.8310 175.1028 80 K 3.7801 8.7557 127.2976 57.3498 32.6973 174.8452 81 Y 4.7638 8.6772 127.7273 55.8456 40.8284 174.9397 82 E 4.2967 8.2770 123.9644 55.8336 30.7050 176.2103 83 G 3.6013 5.3800 108.4828 44.0084 0.0000 173.3817 84 E 4.1523 8.3683 118.1625 56.1462 29.9951 176.9814 85 I 4.2672 8.1848 123.0200 59.5509 37.5081 174.4583 86 P 4.5039 0.0000 0.0000 61.7337 32.3360 176.1974 87 D 4.3275 8.4530 118.5746 54.4105 42.3847 175.9827 88 Y 3.9171 8.5073 127.8010 61.3863 38.7391 178.7259 89 T 3.7416 7.8845 115.7409 66.5814 68.6158 176.2435 90 E 3.9007 8.5468 120.8581 59.5989 29.4171 179.7624 91 S 3.9974 8.2980 114.5130 61.1709 63.0197 176.2949 92 L 3.6416 7.6974 124.2618 57.4779 41.7762 178.7567 93 K 3.8420 8.0081 119.6726 59.4207 32.0916 178.3567 94 L 4.0319 7.9899 120.3215 58.2387 42.0174 178.8166 95 A 3.9400 8.1288 120.8589 54.9059 18.0525 179.3533 96 L 3.8347 7.8535 117.9334 58.3388 42.3008 178.5629 97 E 4.1116 7.9729 117.0761 59.8562 29.8189 179.2206 98 T 4.0336 8.1952 115.8818 66.5923 68.2635 177.2666 99 Q 4.0716 7.8216 118.4574 56.8875 28.9545 177.3451 *101 N 4.7089 8.2156 118.0012 52.6401 40.5415 176.7573 102 S 4.0671 7.5349 111.2979 60.4919 63.2576 174.8966 103 F 4.7838 7.3167 119.9727 57.1495 38.8508 175.3762 104 S 4.3349 7.7010 116.1714 59.9189 62.3857 174.3027 105 E 3.6646 8.8243 123.9479 56.8603 27.3803 173.7481 106 D 4.7013 8.1598 119.4696 53.1796 40.8419 174.9654 107 D 4.8378 8.5496 126.0327 53.2141 39.9996 177.3826 108 S 4.4759 8.2640 115.5317 57.9140 65.2079 173.0838 109 P 4.2294 0.0000 0.0000 65.5922 30.9827 178.7729 110 F 4.1008 8.2442 118.8764 61.1813 39.3149 176.6022 111 A 2.5800 7.7944 120.2551 54.8047 18.1142 179.1962 112 E 3.6483 7.7295 117.4668 59.3461 29.7016 179.0327 113 R 3.7443 7.9225 118.8818 59.3987 30.0721 178.5075 114 S 3.8202 7.4690 115.0554 61.5819 62.7407 176.7933 115 L 3.9043 7.6366 121.8332 57.5972 41.2691 179.4388 116 E 3.8857 8.0571 118.4472 59.7952 29.3769 179.4897 117 T 3.8144 7.8715 115.6414 66.7170 68.4315 176.7280 118 L 3.9499 8.2204 121.1853 57.8635 41.4034 179.6105 119 Q 3.9544 8.1898 118.0972 58.7086 28.4862 178.6533 120 Q 3.9231 8.0601 120.6384 59.2720 29.1193 177.8361 121 L 3.4914 7.9622 120.3607 57.8888 41.6242 179.5861 122 K 4.0085 8.1652 119.2673 59.4751 32.1341 179.0692 123 K 4.0116 7.5989 117.3574 59.5699 31.7676 179.0128 124 D 4.3848 8.0054 118.3475 57.5953 40.8342 178.0152 125 Y 4.6063 8.0587 115.0841 57.9823 38.3143 175.5283 126 K 3.8592 8.5555 118.3504 57.4198 30.1799 175.6227 127 L 4.1226 8.5456 123.8858 55.4560 42.1028 174.8438 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 4 T 8.17 4.31 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 1.26 0.00 0.00 5 F 7.96 4.25 0.00 2.68 2.79 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 0.00 0.00 0.00 6 E 9.50 4.51 0.00 2.09 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 2.44 2.39 0.00 7 I 8.16 4.02 1.91 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 1.50 0.53 0.93 0.00 0.00 8 G 9.32 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 9 E 8.27 4.02 0.00 2.25 1.77 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 2.16 2.13 0.00 10 I 8.29 4.61 1.91 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 1.35 0.79 1.12 0.00 0.00 11 V 8.92 5.02 1.82 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 0.10 0.00 0.00 0.75 0.00 0.00 12 T 8.88 4.88 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 1.07 0.00 0.00 13 G 8.93 4.49 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 0.00 0.00 0.00 14 I 8.51 5.10 1.94 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 1.25 0.70 0.96 0.00 0.00 15 Y 9.33 4.59 0.00 3.07 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 16 K 9.24 3.60 0.00 1.82 1.72 0.00 1.72 0.00 0.00 1.44 0.00 0.00 2.46 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.85 7.81 17 T 8.14 3.49 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 1.22 0.00 0.00 18 G 7.86 4.02 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 0.00 0.00 0.00 19 K 8.27 5.08 0.00 1.69 1.43 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.34 7.81 20 Y 8.91 5.07 0.00 2.93 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 21 I 8.58 4.58 1.72 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 0.01 0.30 0.73 0.00 0.00 22 G 8.60 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 23 E 8.65 5.18 0.00 1.99 1.70 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 2.17 2.32 0.00 24 V 8.76 4.14 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 1.14 0.00 0.00 0.72 0.00 0.00 25 T 8.88 4.71 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 1.26 0.00 0.00 26 N 7.92 5.05 0.00 2.84 2.66 0.00 0.00 6.60 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 27 S 8.44 5.05 0.00 4.02 3.69 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 28 R 8.55 4.59 0.00 1.96 1.90 0.00 2.83 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 29 P 0.00 4.15 0.00 2.15 2.12 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 30 G 9.83 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 31 S 7.56 5.16 0.00 3.86 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 32 Y 9.07 5.18 0.00 2.93 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 33 V 8.63 4.34 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 0.97 0.00 0.00 0.93 0.00 0.00 34 V 9.10 4.72 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 0.90 0.00 0.00 0.94 0.00 0.00 35 K 8.94 4.63 0.00 1.74 1.69 0.00 1.56 0.00 0.00 1.38 0.00 0.00 2.69 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.18 1.33 7.81 36 V 8.63 4.08 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 0.96 0.00 0.00 0.57 0.00 0.00 37 L 8.97 5.26 0.00 1.70 1.85 0.96 0.60 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 38 A 7.97 4.73 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 39 V 8.42 4.35 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 0.56 0.00 0.00 0.81 0.00 0.00 40 L 8.64 4.34 0.00 1.49 1.58 0.74 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.25 4.44 0.00 1.67 1.52 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.37 7.81 42 H 8.89 4.59 0.00 3.22 3.40 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.52 0.00 2.18 2.25 0.00 3.39 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 44 V 8.56 3.87 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 1.04 0.00 0.00 1.02 0.00 0.00 45 Q 8.42 4.46 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.43 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 *61 E 8.26 4.18 0.00 1.96 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 0.00 2.22 2.32 0.00 62 R 7.72 4.48 0.00 1.84 2.11 0.00 3.33 0.00 0.00 3.63 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 63 R 8.34 4.57 0.00 1.98 2.10 0.00 3.31 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 64 A 9.13 4.35 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 65 L 8.86 4.06 0.00 0.83 1.28 0.07 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 66 A 9.32 4.29 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 67 F 7.58 3.75 0.00 1.51 2.44 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 68 R 8.26 3.52 0.00 1.47 1.74 0.00 2.94 0.00 0.00 2.78 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 69 E 7.88 3.98 0.00 1.95 1.68 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 2.14 2.18 0.00 70 Q 8.42 5.00 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.47 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 71 T 8.82 4.43 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 0.04 0.00 0.00 72 N 8.65 5.01 0.00 2.73 2.76 0.00 0.00 6.86 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 73 I 9.12 4.82 1.99 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 1.30 0.77 1.11 0.00 0.00 74 P 0.00 4.70 0.00 2.26 2.05 0.00 3.79 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 75 E 8.70 4.61 0.00 1.93 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 2.43 2.54 0.00 76 Q 7.40 4.17 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.17 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 *78 V 7.68 4.19 2.34 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 0.42 0.00 0.00 1.18 0.00 0.00 79 K 8.83 4.78 0.00 1.86 1.58 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.44 7.81 80 K 8.76 3.78 0.00 1.86 1.73 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.37 7.81 81 Y 8.68 4.76 0.00 2.86 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 82 E 8.28 4.30 0.00 1.79 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 2.10 2.16 0.00 83 G 5.38 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 84 E 8.37 4.15 0.00 2.02 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 0.00 2.31 2.33 0.00 85 I 8.18 4.27 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.65 0.99 0.00 0.00 86 P 0.00 4.50 0.00 2.14 2.04 0.00 3.78 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 1.95 1.92 0.00 87 D 8.45 4.33 0.00 2.69 2.71 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 88 Y 8.51 3.92 0.00 3.12 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.88 3.74 4.33 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 1.20 0.00 0.00 90 E 8.55 3.90 0.00 2.09 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 2.30 2.44 0.00 91 S 8.30 4.00 0.00 4.06 4.08 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 92 L 7.70 3.64 0.00 1.11 1.49 0.64 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.01 3.84 0.00 1.93 1.89 0.00 1.68 0.00 0.00 1.55 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.45 7.81 94 L 7.99 4.03 0.00 1.82 1.75 0.89 1.11 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 95 A 8.13 3.94 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 96 L 7.85 3.83 0.00 1.84 1.87 0.80 1.07 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 97 E 7.97 4.11 0.00 2.21 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 0.00 2.35 2.41 0.00 98 T 8.20 4.03 4.36 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 0.00 0.00 0.00 1.16 0.00 0.00 99 Q 7.82 4.07 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.38 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 *101 N 8.22 4.71 0.00 2.95 2.87 0.00 0.00 6.77 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 0.00 102 S 7.53 4.07 0.00 3.73 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 0.00 103 F 7.32 4.78 0.00 3.17 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 S 7.70 4.33 0.00 3.94 3.82 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 0.00 105 E 8.82 3.66 0.00 2.19 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 0.00 2.22 2.29 0.00 106 D 8.16 4.70 0.00 2.80 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 0.00 107 D 8.55 4.84 0.00 2.80 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 0.00 108 S 8.26 4.48 0.00 4.16 4.13 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 0.00 0.00 0.00 109 P 0.00 4.23 0.00 2.21 2.15 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 110 F 8.24 4.10 0.00 3.10 3.09 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 0.00 111 A 7.79 2.58 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.73 3.65 0.00 2.07 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 0.00 2.21 2.40 0.00 113 R 7.92 3.74 0.00 1.78 1.87 0.00 3.26 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 114 S 7.47 3.82 0.00 2.82 3.52 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 0.00 115 L 7.64 3.90 0.00 1.68 1.61 0.87 0.91 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 0.00 116 E 8.06 3.89 0.00 2.12 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 0.00 2.26 2.58 0.00 117 T 7.87 3.81 4.31 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 1.19 0.00 0.00 118 L 8.22 3.95 0.00 1.79 1.70 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 8.19 3.95 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 120 Q 8.06 3.92 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 121 L 7.96 3.49 0.00 1.85 1.39 0.75 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 0.00 122 K 8.17 4.01 0.00 1.93 1.96 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.55 7.81 123 K 7.60 4.01 0.00 2.03 1.82 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.46 7.81 124 D 8.01 4.38 0.00 2.44 2.65 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 0.00 125 Y 8.06 4.61 0.00 3.13 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 0.00 126 K 8.56 3.86 0.00 2.00 1.96 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.61 7.81 127 L 8.55 4.12 0.00 1.76 1.70 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.