NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2589 7.9716 113.6739 61.2870 38.3949 170.8510 3 Q 3.1940 8.6365 134.2154 54.5491 30.0903 169.4695 4 E 3.8641 9.4219 126.1995 56.5420 31.9881 178.4262 5 Q 3.1742 9.1644 118.3614 57.3898 27.7022 169.9804 6 T 3.1776 8.4614 122.6889 64.4067 65.9359 171.0359 7 M 5.0474 8.2111 126.8917 53.8961 32.1628 175.9825 8 L 4.4350 8.2671 124.3430 53.9963 43.6741 176.2766 9 N 4.9985 8.8543 120.4751 52.6794 40.3885 174.8102 10 V 4.0763 8.2981 115.3595 61.4056 32.1832 176.0326 11 A 4.3586 8.7915 126.0772 52.1748 20.2680 176.1494 12 D 4.4999 7.3968 115.6956 51.4325 41.6474 174.4953 13 N 4.8570 8.0341 115.6202 51.8961 39.4503 169.8753 14 S 3.8501 8.9356 119.3352 58.8186 63.3719 170.6880 15 G 4.0082 8.9694 113.5521 46.3086 0.0000 174.4535 16 A 4.1344 7.1896 123.6605 53.3056 18.3089 178.1886 17 R 3.6055 8.7152 113.4607 56.4335 29.3202 175.8486 18 R 4.2458 8.2786 114.3340 57.4184 30.0631 175.8220 19 V 4.7227 8.5373 112.2457 60.5894 36.2149 173.7963 20 M 5.2304 8.1278 116.6292 54.0987 34.5526 174.4452 21 C 4.5048 8.4836 121.9323 60.1657 32.0735 173.0752 22 I 4.6393 7.9542 112.5245 61.0462 40.0848 175.5265 23 K 4.3850 7.6996 119.7591 55.5142 35.4554 174.1318 24 V 4.1633 8.5458 127.5559 61.6314 32.0132 175.0775 25 L 4.1217 7.8971 130.1242 53.3549 42.0302 176.5462 26 G 3.0918 9.4902 114.1635 44.9969 0.0000 173.9042 27 G 3.9663 8.9656 108.8553 45.3214 0.0000 172.6750 28 S 3.9395 8.3215 120.1237 59.2655 62.7984 174.0767 29 H 4.0451 9.0393 121.1022 56.4294 25.9622 174.9529 30 R 4.1720 7.9855 119.6489 56.9292 31.9923 177.5215 31 R 4.4017 8.8836 121.3512 56.9064 28.8911 178.4497 32 Y 4.9503 8.9662 117.5261 57.0254 40.6853 174.7088 33 A 4.7935 8.4400 125.0285 50.6601 21.3311 176.5212 34 G 4.1961 8.3757 108.1018 44.6418 0.0000 175.6088 35 V 3.2673 7.0042 115.4933 61.3445 28.2533 175.0479 36 G 3.8383 6.9959 111.9200 45.9799 0.0000 172.0284 37 D 5.2608 7.6951 119.9874 51.7930 44.4407 174.8847 38 I 4.7141 8.2357 113.5941 60.4117 39.2866 175.3485 39 I 4.5844 8.7469 128.0436 59.2743 41.0007 173.3814 40 K 4.7782 8.1955 122.8603 54.4888 35.1536 174.6040 41 I 4.7068 8.4476 125.1940 59.5242 41.7991 173.8696 42 T 4.8866 8.1100 124.2132 61.4849 71.0877 173.4846 43 I 3.9002 8.3963 128.2774 61.1332 38.1375 176.9684 44 K 4.7115 8.1276 131.5174 55.2651 32.1768 175.3976 45 E 4.5684 7.9900 119.9994 53.7162 37.4300 171.3149 46 A 3.7900 7.9372 129.7181 51.3064 19.5189 176.9720 47 I 4.4257 7.8217 113.5261 58.6979 39.7964 174.4352 48 P 4.1455 0.0000 0.0000 65.0204 32.5143 178.1981 49 R 4.5112 7.3427 118.0959 55.1110 30.1606 175.3688 50 G 4.0095 8.7373 120.0638 45.8901 0.0000 173.7645 51 K 4.3499 7.7555 121.5998 54.1740 30.6726 177.0351 52 V 4.5667 6.9502 116.9935 61.9780 35.0762 172.3318 53 K 4.3469 8.9554 123.2332 55.3372 35.2759 174.5004 54 K 4.7591 8.1722 118.8012 59.9003 32.0511 174.8972 55 G 3.5377 9.0696 118.7367 45.7506 0.0000 172.8203 56 D 4.4072 7.8191 121.0308 54.5762 41.9681 176.6095 57 V 4.9854 7.8032 119.6610 60.3899 30.7723 175.5944 58 L 4.6927 7.6045 128.7271 54.0782 45.1991 176.0691 59 K 4.9543 8.2933 119.3002 56.3711 36.6622 175.7521 60 A 5.1751 8.4950 122.8063 50.5564 23.2968 174.7999 61 V 4.9315 8.1021 108.9484 59.7960 35.9837 176.3784 62 V 3.9058 8.2627 123.0897 63.2790 32.0258 174.3231 63 V 4.2654 9.1879 121.5570 62.3040 33.2366 174.4275 64 R 5.0531 7.7788 116.6506 54.7022 33.0215 175.1868 65 T 5.0421 8.5259 112.7465 59.4128 71.4904 175.0712 66 K 4.9954 8.2780 123.1770 58.9968 32.4291 178.6193 67 K 3.9856 8.1203 117.5936 57.6514 32.1990 176.3748 68 G 4.0060 8.3411 108.8635 45.3854 0.0000 172.9260 69 V 4.2519 7.7984 122.5324 61.8420 33.1004 174.9541 70 R 4.9950 8.2134 121.7857 54.7206 32.9285 174.5405 71 R 3.8418 8.7991 116.2030 59.7580 36.6120 176.0981 72 P 3.4632 0.0000 0.0000 63.6391 32.0382 176.5555 73 D 4.4782 9.1174 123.3146 54.7704 39.6400 178.0539 74 G 3.9120 8.4625 107.8692 45.3289 0.0000 174.1627 75 S 4.1205 7.4461 115.8541 59.2553 64.1465 173.9637 76 V 4.1596 8.3471 122.7499 61.3673 33.4773 174.6110 77 I 4.3673 8.3238 130.4200 59.4947 38.7302 175.5741 78 R 4.5256 8.2156 122.6307 54.0133 31.7794 174.0617 79 F 5.2240 8.2212 115.9573 55.7801 42.6886 173.8855 80 D 4.8148 8.6995 120.3170 53.9871 43.3912 174.4677 81 G 3.7065 8.9720 114.6179 45.2377 0.0000 172.4244 82 N 4.9513 8.2428 122.7523 53.8218 40.1811 173.6456 83 A 5.5305 9.2014 121.2951 51.5506 22.7197 174.9859 84 C 5.0975 8.3960 112.0473 56.6414 31.2090 173.3617 85 V 3.6146 7.7760 119.7687 61.8990 32.2758 170.4214 86 L 4.8279 8.3992 125.0885 53.6488 43.4240 175.5728 87 L 5.3650 8.7494 121.3633 52.7804 45.7777 175.9505 88 N 4.4547 8.5798 119.1473 52.8782 38.3872 174.1874 89 N 4.2045 9.1431 118.6436 54.5473 39.4025 175.2306 90 N 4.8566 7.9461 118.1127 50.8711 37.1891 176.3330 91 S 4.2737 8.0633 107.2169 61.2744 66.5908 178.0417 92 E 3.7006 7.2613 119.3573 58.1877 25.9447 176.2856 93 Q 4.5223 7.6075 119.7128 53.1982 32.5621 172.5807 94 P 4.4991 0.0000 0.0000 62.5381 30.6335 175.7957 95 I 3.9901 8.3279 124.6486 60.1417 36.4677 175.7424 96 G 4.1380 7.3121 114.1271 44.8731 0.0000 169.6158 97 T 4.1174 8.1849 111.3716 61.2883 68.1710 177.2329 98 R 4.0980 9.2556 115.6054 56.4154 31.1047 174.0991 99 I 4.3525 7.9128 120.1919 59.3530 40.8003 175.0134 100 F 4.9586 8.4598 123.3081 56.7435 41.0134 174.5993 101 G 3.9019 8.8781 114.2462 45.1162 0.0000 171.5484 102 P 4.2293 0.0000 0.0000 62.6661 32.1914 175.6508 103 V 4.4904 7.8839 112.6151 59.4216 35.1139 175.7452 104 T 4.3985 8.1576 111.8340 60.9229 69.6742 176.0514 105 R 4.0073 8.6537 120.2825 59.3462 29.6869 177.7831 106 E 4.1195 8.2336 117.9298 58.5328 29.3175 178.1024 107 L 4.0876 7.8446 119.8795 56.4929 41.9704 177.7761 108 R 4.2651 7.9079 117.1375 57.5577 29.9181 176.5219 109 S 4.2999 7.7368 111.8380 59.5261 63.3979 175.8031 110 E 4.1613 8.5126 123.2207 55.7507 28.3251 178.3987 111 K 4.3971 7.6040 112.3965 57.1780 34.3155 176.0535 112 F 4.6156 7.5930 115.0126 57.8912 41.0407 175.5950 113 M 3.4033 7.7371 119.5027 55.9316 30.9422 178.8852 114 K 3.8215 8.8910 122.1102 58.7294 33.1076 178.2499 115 I 3.9886 7.9096 118.5386 63.4154 38.3133 177.6215 116 I 3.7937 7.6934 112.0952 63.6951 37.6552 176.8763 117 S 4.3166 8.4855 114.7068 59.2570 63.0151 173.3409 118 L 4.6603 7.9633 120.5682 53.1973 44.5580 174.6150 119 A 3.6048 8.5716 125.1143 51.6712 14.8704 175.1857 120 P 4.5137 0.0000 0.0000 62.4249 29.3268 175.5300 121 E 4.7600 8.4760 119.6685 56.1186 33.6031 178.4850 122 V 2.3496 8.1722 112.9757 61.6570 32.9336 176.4273 *123 L 4.1415 8.8491 126.3297 55.0981 41.4527 179.0428 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 I 7.97 4.26 1.88 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 1.32 1.68 1.12 0.00 0.00 3 Q 8.64 3.19 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.81 0.00 0.00 0.00 0.00 0.00 2.13 2.35 0.00 4 E 9.42 3.86 0.00 1.98 1.89 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 2.33 2.40 0.00 5 Q 9.16 3.17 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 5.78 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 6 T 8.46 3.18 4.28 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 0.00 0.00 1.23 0.00 0.00 7 M 8.21 5.05 0.00 1.89 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.34 0.00 8 L 8.27 4.44 0.00 1.59 1.56 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.85 5.00 0.00 2.81 2.72 0.00 0.00 6.88 7.20 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 10 V 8.30 4.08 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 0.68 0.00 0.00 0.93 0.00 0.00 11 A 8.79 4.36 1.13 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 0.00 0.00 12 D 7.40 4.50 0.00 2.60 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 13 N 8.03 4.86 0.00 2.89 3.06 0.00 0.00 5.86 7.64 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 14 S 8.94 3.85 0.00 4.06 3.88 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 15 G 8.97 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.19 4.13 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 17 R 8.72 3.61 0.00 1.92 1.90 0.00 3.42 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 18 R 8.28 4.25 0.00 1.80 1.98 0.00 2.98 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 19 V 8.54 4.72 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 0.80 0.00 0.00 0.98 0.00 0.00 20 M 8.13 5.23 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 21 C 8.48 4.50 0.00 3.04 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 22 I 7.95 4.64 1.87 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 1.12 0.84 1.04 0.00 0.00 23 K 7.70 4.38 0.00 1.85 1.63 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.41 7.81 24 V 8.55 4.16 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 0.91 0.00 0.00 1.06 0.00 0.00 25 L 7.90 4.12 0.00 2.00 1.62 0.97 0.93 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 26 G 9.49 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 0.00 0.00 0.00 27 G 8.97 3.97 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 0.00 28 S 8.32 3.94 0.00 3.91 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 29 H 9.04 4.05 0.00 3.34 3.40 0.00 5.72 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.99 4.17 0.00 1.97 1.89 0.00 3.27 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 31 R 8.88 4.40 0.00 1.63 1.49 0.00 3.64 0.00 0.00 3.34 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 0.00 32 Y 8.97 4.95 0.00 2.92 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 33 A 8.44 4.79 1.29 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 34 G 8.38 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 0.00 0.00 0.00 0.00 35 V 7.00 3.27 2.11 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 0.88 0.00 0.00 0.95 0.00 0.00 36 G 7.00 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 0.00 0.00 0.00 37 D 7.70 5.26 0.00 2.77 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 38 I 8.24 4.71 1.92 0.00 0.00 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 1.28 1.17 1.06 0.00 0.00 39 I 8.75 4.58 1.89 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 1.13 1.68 0.92 0.00 0.00 40 K 8.20 4.78 0.00 2.01 1.68 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.39 7.81 41 I 8.45 4.71 1.87 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 1.22 1.19 0.93 0.00 0.00 42 T 8.11 4.89 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 43 I 8.40 3.90 1.97 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 1.11 0.45 0.93 0.00 0.00 44 K 8.13 4.71 0.00 1.83 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.37 7.81 45 E 7.99 4.57 0.00 1.98 1.83 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 2.17 2.33 0.00 46 A 7.94 3.79 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 47 I 7.82 4.43 1.89 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 1.49 0.74 0.93 0.00 0.00 48 P 0.00 4.15 0.00 2.08 2.09 0.00 3.64 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 2.03 2.17 0.00 49 R 7.34 4.51 0.00 1.76 1.44 0.00 3.38 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 50 G 8.74 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.76 4.35 0.00 1.60 1.80 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.52 7.81 52 V 6.95 4.57 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 0.74 0.00 0.00 0.95 0.00 0.00 53 K 8.96 4.35 0.00 1.88 1.84 0.00 1.40 0.00 0.00 2.04 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.48 7.81 54 K 8.17 4.76 0.00 1.88 1.93 0.00 1.19 0.00 0.00 2.37 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.36 7.81 55 G 9.07 3.54 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 0.00 0.00 0.00 56 D 7.82 4.41 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.99 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 1.20 0.00 0.00 0.97 0.00 0.00 58 L 7.60 4.69 0.00 1.65 1.66 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.29 4.95 0.00 1.74 1.85 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.51 7.81 60 A 8.49 5.18 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.10 4.93 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 0.90 0.00 0.00 0.71 0.00 0.00 62 V 8.26 3.91 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 0.79 0.00 0.00 0.97 0.00 0.00 63 V 9.19 4.27 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 0.73 0.00 0.00 0.86 0.00 0.00 64 R 7.78 5.05 0.00 1.74 1.82 0.00 3.04 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.31 0.00 65 T 8.53 5.04 4.29 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 1.28 0.00 0.00 66 K 8.28 5.00 0.00 1.92 1.96 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.64 1.54 7.81 67 K 8.12 3.99 0.00 1.78 1.91 0.00 1.91 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.49 7.81 68 G 8.34 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.80 4.25 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 0.99 0.00 0.00 0.93 0.00 0.00 70 R 8.21 5.00 0.00 2.06 1.80 0.00 3.15 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 71 R 8.80 3.84 0.00 1.75 1.88 0.00 3.27 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 72 P 0.00 3.46 0.00 2.25 2.19 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 73 D 9.12 4.48 0.00 2.77 2.76 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 0.00 0.00 0.00 74 G 8.46 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 75 S 7.45 4.12 0.00 4.03 3.80 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 76 V 8.35 4.16 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 0.76 0.00 0.00 0.97 0.00 0.00 77 I 8.32 4.37 1.74 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 1.19 1.29 0.54 0.00 0.00 78 R 8.22 4.53 0.00 1.77 1.76 0.00 2.94 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 1.38 1.47 0.00 79 F 8.22 5.22 0.00 3.19 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 80 D 8.70 4.81 0.00 2.64 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 81 G 8.97 3.71 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 0.00 0.00 0.00 82 N 8.24 4.95 0.00 2.70 2.77 0.00 0.00 6.67 7.08 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 83 A 9.20 5.53 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.40 5.10 0.00 2.90 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 85 V 7.78 3.61 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 0.89 0.00 0.00 0.81 0.00 0.00 86 L 8.40 4.83 0.00 1.64 1.54 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.75 5.36 0.00 1.67 1.64 1.17 0.81 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 88 N 8.58 4.45 0.00 2.75 2.84 0.00 0.00 6.87 7.72 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 89 N 9.14 4.20 0.00 2.69 2.69 0.00 0.00 6.89 7.79 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 90 N 7.95 4.86 0.00 2.83 2.83 0.00 0.00 5.81 7.64 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 91 S 8.06 4.27 0.00 4.14 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 92 E 7.26 3.70 0.00 1.99 2.26 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 2.27 2.32 0.00 93 Q 7.61 4.52 0.00 2.24 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.77 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 94 P 0.00 4.50 0.00 2.06 2.09 0.00 3.73 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 2.11 2.22 0.00 95 I 8.33 3.99 1.87 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 1.23 0.76 0.92 0.00 0.00 96 G 7.31 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.18 4.12 4.26 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 1.22 0.00 0.00 98 R 9.26 4.10 0.00 1.88 2.09 0.00 3.67 0.00 0.00 3.44 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.80 0.00 99 I 7.91 4.35 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.53 0.82 0.00 0.00 100 F 8.46 4.96 0.00 2.95 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 0.00 101 G 8.88 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 0.00 0.00 0.00 102 P 0.00 4.23 0.00 1.79 2.05 0.00 3.46 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 1.97 2.13 0.00 103 V 7.88 4.49 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 0.76 0.00 0.00 1.00 0.00 0.00 104 T 8.16 4.40 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 105 R 8.65 4.01 0.00 1.96 2.15 0.00 3.20 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 106 E 8.23 4.12 0.00 2.15 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 2.34 2.30 0.00 107 L 7.84 4.09 0.00 1.68 1.84 0.38 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.91 4.27 0.00 2.14 1.96 0.00 3.35 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 109 S 7.74 4.30 0.00 4.12 4.07 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 0.00 0.00 0.00 110 E 8.51 4.16 0.00 1.95 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 2.32 2.40 0.00 111 K 7.60 4.40 0.00 1.37 1.58 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.33 7.81 112 F 7.59 4.62 0.00 3.19 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 0.00 113 M 7.74 3.40 0.00 2.23 2.11 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 2.61 2.48 0.00 114 K 8.89 3.82 0.00 1.68 2.03 0.00 1.54 0.00 0.00 1.50 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.44 7.81 115 I 7.91 3.99 1.85 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 1.39 1.14 0.93 0.00 0.00 116 I 7.69 3.79 1.89 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 1.57 0.79 0.92 0.00 0.00 117 S 8.49 4.32 0.00 4.03 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 0.00 118 L 7.96 4.66 0.00 1.65 1.59 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.57 3.60 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 0.00 120 P 0.00 4.51 0.00 2.06 2.06 0.00 3.75 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 2.04 2.09 0.00 121 E 8.48 4.76 0.00 1.85 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 2.09 2.26 0.00 122 V 8.17 2.35 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 0.73 0.00 0.00 1.09 0.00 0.00 *123 L 8.85 4.14 0.00 1.41 1.48 0.92 0.70 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 * Residues marked with a * may have inaccurate shift predictions.