NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.4276 8.1749 110.9463 61.5847 69.6279 174.7587 -4 E 5.3014 8.9122 117.5246 55.3377 31.5973 173.0131 -3 F 4.9731 8.8367 123.0503 56.1262 42.3758 174.3179 -2 K 4.0638 7.9078 126.2243 53.7122 34.8037 175.9887 -1 A 3.9742 7.1700 125.2248 51.6952 19.6180 176.9579 -4 G 4.9114 8.8222 106.1246 43.8377 0.0000 171.3131 -3 S 4.8231 8.8467 118.4503 56.7262 66.5758 173.1179 -2 A 4.0638 7.8578 129.6243 50.0122 20.8037 177.1887 -1 K 3.9742 7.2200 121.8248 55.3952 33.6180 175.7579 5 K 4.1725 8.0886 119.5541 59.3697 32.1246 178.9553 6 G 3.6477 8.0043 105.4556 47.6855 0.0000 175.3161 7 A 2.5800 7.6857 122.8920 54.5122 18.4546 179.4243 8 T 4.0042 7.6236 107.2429 64.0879 69.1382 177.1241 9 L 3.9652 7.7944 122.3512 57.4757 41.6860 178.7851 10 F 3.9243 8.2650 120.7594 61.3298 39.0743 177.3175 11 K 4.0048 7.8262 116.7475 59.6293 31.9837 178.9970 12 T 4.1667 7.6338 107.7318 63.1069 69.1776 175.4759 13 R 4.5279 8.1182 118.1615 55.7115 32.5598 175.9731 14 C 4.4501 8.0488 114.1475 60.0430 30.5219 175.8938 15 L 4.0844 7.2840 120.2812 57.1626 41.8602 178.4020 16 Q 3.8106 8.0995 118.6116 58.8711 28.9770 176.5826 17 C 4.8211 8.2376 112.3429 59.7336 29.9425 173.5144 18 H 5.3870 8.0465 115.5199 54.2658 33.3081 172.3878 19 T 4.9592 8.6805 110.0090 60.2011 71.4999 174.8705 20 V 4.2159 8.4028 120.5916 61.5937 33.6684 176.3478 21 E 4.1194 7.9254 118.2743 55.5019 30.1130 175.8897 22 K 3.9352 8.0934 122.1245 57.7292 32.5816 177.2459 23 G 3.9192 8.9985 114.2716 45.2014 0.0000 173.4601 24 G 3.8120 7.5540 108.6482 44.2141 0.0000 172.3953 25 P 4.5296 0.0000 0.0000 61.9053 32.5499 175.7609 26 H 4.7027 8.3642 116.5941 55.8819 30.2278 175.5521 27 K 4.6140 8.5783 124.4938 55.5141 32.9089 178.3047 28 V 3.7079 8.9381 123.3964 66.2905 31.6451 176.2802 29 G 3.9087 7.9283 107.6316 42.4273 0.0000 170.8498 30 P 4.2551 0.0000 0.0000 61.4772 32.0706 175.8923 31 N 4.5695 8.8455 118.1707 54.1922 39.6532 174.6589 32 L 4.4689 8.7585 123.5225 54.3938 42.4086 175.9983 33 H 4.1575 8.1549 119.8444 57.6364 30.0167 174.9757 34 G 3.9538 8.8644 114.3001 46.5525 0.0000 174.7540 35 I 3.7212 7.4198 122.3946 63.1114 38.1680 176.2833 36 F 4.5392 7.7840 119.4341 58.4981 39.1582 175.1527 37 G 4.0045 10.2633 115.2263 45.1040 0.0000 173.5378 38 A 4.4512 7.6905 120.8011 51.8650 20.1073 176.5244 39 H 4.9777 8.5533 116.2550 54.4422 30.4942 175.7535 40 S 4.2370 8.1897 115.9815 58.7915 63.6411 174.0572 41 G 2.0493 8.1680 108.2894 46.9498 0.0000 173.9685 42 Q 4.5111 7.8248 114.0207 54.6620 30.8375 176.1731 43 A 4.2884 8.2376 122.2369 51.8503 18.9738 177.5458 44 E 4.2396 8.7527 120.6705 57.2557 30.6287 176.9590 45 G 3.9515 9.0322 108.5921 46.1245 0.0000 172.2007 46 Y 4.3992 7.8274 119.0725 55.2725 40.8754 175.5400 47 S 4.3058 7.0012 121.5510 57.0312 61.4642 173.0512 48 Y 4.7460 8.2016 124.9561 56.8401 38.8009 176.3399 49 T 4.3027 8.3925 111.8007 61.5645 71.1162 175.2730 50 D 4.3737 8.6686 121.6191 57.4069 40.9499 178.7154 51 A 3.9574 8.0576 120.8151 55.5135 18.1563 179.4708 52 I 3.6973 7.4585 114.9450 64.0145 38.2547 177.8917 53 I 3.7325 7.4365 120.1577 64.1887 36.7398 178.4698 54 K 3.9606 7.8297 118.2224 58.8692 31.9571 179.0756 55 K 3.8210 7.8057 119.3735 57.1839 33.0742 176.1786 56 N 3.8843 7.3551 116.1199 54.2012 37.8933 174.0954 57 V 3.4348 7.3956 118.9391 62.7967 33.4030 175.2503 58 L 4.3955 7.8191 128.7559 52.8852 42.9058 175.9162 59 W 4.8111 8.8365 128.5233 56.9621 29.6674 175.1911 60 D 5.1687 8.8362 124.2894 50.5643 42.2901 176.4116 61 E 3.8957 9.1413 118.2150 60.1577 28.8223 179.3775 62 N 4.4281 8.1849 116.5798 56.0310 38.6887 176.7896 63 N 4.2871 10.2373 118.7792 57.0432 39.1940 176.5481 64 M 4.0985 8.5694 119.8560 58.7634 32.2095 178.1487 65 S 4.1124 7.8170 113.3280 61.4507 62.4395 176.0509 66 E 3.9172 7.6920 120.8970 59.2766 28.8230 178.5385 67 Y 4.2163 7.8664 119.6486 61.0007 38.8456 178.4449 68 L 3.7979 8.0233 119.5381 57.8714 41.4772 179.6548 69 T 4.3043 7.6931 116.8858 65.2088 69.2160 172.9769 70 N 4.7482 7.7119 114.7617 52.1114 41.0651 172.5592 71 P 4.2681 0.0000 0.0000 62.6570 32.2078 177.8443 *73 K 4.2738 7.9687 120.5342 56.6205 33.7353 176.3592 74 Y 4.3869 8.3266 118.9210 59.9711 39.0640 175.3852 75 I 4.4521 8.1298 120.4942 58.2091 38.2970 171.4026 76 P 4.5209 0.0000 0.0000 63.6034 31.7886 176.9694 77 G 4.0760 9.0246 111.1060 45.5363 0.0000 173.9209 78 T 4.0843 7.7283 114.4228 62.2361 67.7597 173.7891 79 K 4.3524 8.5749 125.1713 56.8422 33.1979 176.1017 80 M 4.0950 7.8721 120.6047 55.9292 32.5030 176.9893 81 A 4.5351 8.3730 134.2866 51.4141 18.3957 176.3311 82 S 4.6730 7.6082 115.7564 56.2655 64.8491 173.7202 83 G 3.7727 8.7047 115.0388 45.2905 0.0000 174.6937 84 G 4.0296 7.4471 103.7528 46.9559 0.0000 174.0900 85 L 4.4490 8.2721 120.6419 52.9042 40.7981 177.7919 86 K 4.0250 8.3603 123.8307 58.3261 32.7822 178.6055 87 K 4.3549 7.8433 119.1539 55.0971 33.7201 176.9955 88 E 3.9893 8.8918 125.0432 59.2855 29.5699 178.9771 89 K 3.9896 8.0506 118.2737 60.2573 32.5129 178.7335 90 D 4.3628 8.0423 119.5866 57.0528 40.7831 178.7523 91 R 3.9974 8.0945 118.5979 59.2423 30.0761 178.8219 92 N 4.7078 8.7885 116.5690 56.5729 38.6190 177.1105 93 D 4.4339 8.1161 120.0835 57.3207 40.8946 178.4991 94 L 4.0877 8.3699 121.0612 58.5850 42.1547 179.0835 95 I 3.7194 8.2711 119.9245 64.6068 36.5671 178.5658 96 T 3.9760 8.2723 116.6164 66.7952 68.2595 175.9430 97 Y 4.1318 8.1221 121.3023 60.6245 38.9012 177.8605 98 L 3.5202 8.2103 121.4141 57.8935 42.0240 178.4170 99 K 2.9293 7.9565 118.6921 59.3608 31.8707 178.1868 100 K 3.9244 7.4887 118.7012 59.5015 32.0448 178.6955 101 A 3.6681 7.4908 119.1277 54.0481 18.6540 178.5182 102 A 3.9935 7.7615 118.0270 52.8139 18.6908 177.1322 103 E 4.0079 7.3715 122.9786 56.1697 29.7168 176.0504 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 -5 T 8.17 4.43 4.56 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 1.39 0.00 0.00 -4 E 8.91 5.30 0.00 2.06 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 2.24 2.36 0.00 -3 F 8.84 4.97 0.00 2.90 3.13 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 -2 K 7.91 4.06 0.00 1.48 1.40 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.22 7.81 -1 A 7.17 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 G 8.82 4.91 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 0.00 0.00 0.00 -3 S 8.85 4.82 0.00 3.65 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 -2 A 7.86 4.06 1.15 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 0.00 0.00 0.00 -1 K 7.22 3.97 0.00 1.59 1.46 0.00 0.61 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.32 7.81 5 K 8.09 4.17 0.00 1.82 2.02 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.50 7.81 6 G 8.00 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 7 A 7.69 2.58 0.97 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 8 T 7.62 4.00 4.20 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 1.16 0.00 0.00 9 L 7.79 3.97 0.00 1.93 1.76 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.27 3.92 0.00 3.17 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 11 K 7.83 4.00 0.00 1.79 1.87 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.71 7.81 12 T 7.63 4.17 4.20 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 1.22 0.00 0.00 13 R 8.12 4.53 0.00 1.70 1.87 0.00 3.21 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 14 C 8.05 4.45 0.00 1.23 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 0.00 0.00 0.00 15 L 7.28 4.08 0.00 1.66 1.80 1.14 0.89 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 16 Q 8.10 3.81 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 17 C 8.24 4.82 0.00 2.73 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 18 H 8.05 5.39 0.00 3.09 3.24 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.68 4.96 4.68 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 1.28 0.00 0.00 20 V 8.40 4.22 1.67 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 0.50 0.00 0.00 0.62 0.00 0.00 21 E 7.93 4.12 0.00 2.11 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 0.00 2.42 2.24 0.00 22 K 8.09 3.94 0.00 1.17 1.56 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.34 7.81 23 G 9.00 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 0.00 0.00 0.00 24 G 7.55 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 0.00 0.00 0.00 0.00 25 P 0.00 4.53 0.00 2.21 2.06 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 26 H 8.36 4.70 0.00 3.29 3.44 0.00 5.64 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 27 K 8.58 4.61 0.00 1.84 1.46 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.37 7.81 28 V 8.94 3.71 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 0.78 0.00 0.00 0.93 0.00 0.00 29 G 7.93 3.91 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 0.00 0.00 0.00 30 P 0.00 4.26 0.00 1.91 0.88 0.00 3.56 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.44 0.00 31 N 8.85 4.57 0.00 2.98 2.79 0.00 0.00 6.92 7.78 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 32 L 8.76 4.47 0.00 1.65 1.50 0.83 0.64 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 33 H 8.15 4.16 0.00 3.39 3.22 0.00 6.07 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.86 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 0.00 0.00 0.00 35 I 7.42 3.72 1.76 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 0.63 0.70 0.26 0.00 0.00 36 F 7.78 4.54 0.00 3.11 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 37 G 10.26 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 38 A 7.69 4.45 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 39 H 8.55 4.98 0.00 2.93 3.10 0.00 5.91 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.19 4.24 0.00 3.80 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.17 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 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.82 4.51 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 43 A 8.24 4.29 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 4.24 0.00 2.19 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 2.33 2.36 0.00 45 G 9.03 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 0.00 0.00 0.00 46 Y 7.83 4.40 0.00 2.30 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 0.00 0.00 0.00 0.00 47 S 7.00 4.31 0.00 3.69 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.20 4.75 0.00 3.08 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 49 T 8.39 4.30 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 1.33 0.00 0.00 50 D 8.67 4.37 0.00 2.72 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 51 A 8.06 3.96 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 52 I 7.46 3.70 1.99 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.85 1.12 0.00 0.00 53 I 7.44 3.73 1.95 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 1.46 0.74 0.84 0.00 0.00 54 K 7.83 3.96 0.00 1.70 1.82 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.63 7.81 55 K 7.81 3.82 0.00 1.67 1.82 0.00 1.55 0.00 0.00 1.33 0.00 0.00 2.17 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.20 1.20 7.81 56 N 7.36 3.88 0.00 2.98 2.65 0.00 0.00 7.17 7.59 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 57 V 7.40 3.43 0.95 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 -0.23 0.00 0.00 0.58 0.00 0.00 58 L 7.82 4.40 0.00 1.42 1.39 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.84 4.81 0.00 3.41 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 60 D 8.84 5.17 0.00 2.82 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 61 E 9.14 3.90 0.00 1.34 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 2.26 2.40 0.00 62 N 8.18 4.43 0.00 3.30 2.97 0.00 0.00 6.80 6.92 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 63 N 10.24 4.29 0.00 3.12 3.08 0.00 0.00 6.87 7.53 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 64 M 8.57 4.10 0.00 2.49 2.10 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 65 S 7.82 4.11 0.00 4.04 4.03 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 66 E 7.69 3.92 0.00 1.46 1.76 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 2.44 2.34 0.00 67 Y 7.87 4.22 0.00 3.20 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 68 L 8.02 3.80 0.00 1.70 1.64 0.90 0.44 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 69 T 7.69 4.30 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 1.23 0.00 0.00 70 N 7.71 4.75 0.00 2.79 2.70 0.00 0.00 7.18 7.59 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 71 P 0.00 4.27 0.00 2.11 1.55 0.00 3.88 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.75 0.00 *73 K 7.97 4.27 0.00 1.78 2.11 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.59 7.81 74 Y 8.33 4.39 0.00 3.16 3.47 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 75 I 8.13 4.45 2.07 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 1.07 0.83 0.91 0.00 0.00 76 P 0.00 4.52 0.00 2.04 2.01 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 77 G 9.02 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 0.00 0.00 0.00 78 T 7.73 4.08 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 1.47 0.00 0.00 79 K 8.57 4.35 0.00 1.95 1.96 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.52 7.81 80 M 7.87 4.10 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.43 0.00 81 A 8.37 4.54 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 82 S 7.61 4.67 0.00 3.74 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 83 G 8.70 3.77 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 0.00 0.00 0.00 84 G 7.45 4.03 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 0.00 0.00 0.00 85 L 8.27 4.45 0.00 1.82 1.63 0.92 1.11 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 86 K 8.36 4.03 0.00 1.74 1.87 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.40 7.81 87 K 7.84 4.35 0.00 1.98 1.73 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 88 E 8.89 3.99 0.00 2.05 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 2.41 2.42 0.00 89 K 8.05 3.99 0.00 2.02 2.06 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.55 7.81 90 D 8.04 4.36 0.00 2.88 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 R 8.09 4.00 0.00 2.08 2.05 0.00 3.24 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 92 N 8.79 4.71 0.00 2.88 3.02 0.00 0.00 7.05 8.10 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 93 D 8.12 4.43 0.00 2.93 2.84 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 94 L 8.37 4.09 0.00 1.88 1.94 1.26 0.97 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 95 I 8.27 3.72 1.81 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 1.53 0.49 0.18 0.00 0.00 96 T 8.27 3.98 4.51 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 0.00 0.00 0.00 1.30 0.00 0.00 97 Y 8.12 4.13 0.00 3.08 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 98 L 8.21 3.52 0.00 2.06 1.84 0.79 0.87 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 99 K 7.96 2.93 0.00 1.08 1.90 0.00 1.76 0.00 0.00 1.50 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.23 1.09 7.81 100 K 7.49 3.92 0.00 1.77 1.79 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.38 7.81 101 A 7.49 3.67 0.63 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 0.00 102 A 7.76 3.99 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 103 E 7.37 4.01 0.00 2.05 1.78 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 2.28 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.