NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7876 8.3501 109.7449 45.5314 0.0000 174.8353 *2 A 4.2955 8.8166 125.7643 51.7413 20.0130 177.0768 3 Y 4.7526 7.8471 112.3937 57.9823 39.0282 175.2876 4 T 4.9393 8.9981 113.1104 60.3799 72.6756 174.1436 5 T 4.6614 8.6724 110.1632 62.5710 70.4699 174.4811 6 T 5.4921 7.9882 111.0856 59.9724 72.1550 173.5385 7 V 4.4089 9.2066 122.5558 61.1007 35.3944 173.7581 8 K 4.8888 8.5524 128.3418 54.2850 33.8773 175.7535 9 L 4.2026 8.6607 127.6170 54.4584 42.3592 176.4408 10 D 4.4849 8.6243 121.4593 56.2973 40.9974 177.5202 11 G 4.0680 8.9817 112.2817 45.5232 0.0000 173.1464 12 D 3.4867 7.7907 119.1602 53.8681 41.6202 175.9725 13 T 4.1915 7.8125 112.4710 61.9036 69.8003 174.8440 14 K 4.4080 7.7482 121.6548 55.0539 33.6255 175.5096 15 T 4.7936 7.9132 117.6172 62.0860 71.5695 172.6589 16 Y 4.9350 9.1908 123.3114 56.6709 40.8301 174.7733 17 T 5.2721 8.9171 120.0445 61.4425 71.8432 173.3551 18 L 4.0557 8.7075 128.8694 54.5837 43.0245 176.6196 19 S 4.2987 8.7886 122.2749 57.8061 63.0382 173.1174 20 P 4.4702 0.0000 0.0000 64.4903 31.3984 176.7131 21 T 4.4975 7.6321 109.0846 61.0733 68.9339 174.5792 22 V 3.6770 7.2784 120.9867 62.3344 31.8282 175.4947 23 K 4.3979 7.9790 121.1144 54.0582 34.9111 176.5636 24 K 3.3042 8.6199 125.0163 59.8531 31.9715 177.5894 25 Y 4.5562 7.4073 114.0337 61.2191 38.4263 177.5586 26 T 4.0108 7.9487 116.4303 66.6852 68.9245 176.7389 27 L 3.2393 7.7598 118.5331 55.7873 41.4327 178.3958 *29 D 4.5999 8.0347 119.9945 54.0904 42.6347 175.9761 30 L 4.4932 7.8949 116.5416 54.6888 41.7785 177.1827 31 G 4.2989 8.5312 106.8911 44.9652 0.0000 173.9749 32 F 4.7191 8.5309 118.3585 57.4088 39.9216 174.9301 33 V 4.4990 8.9798 122.5147 61.0422 33.7472 174.3150 34 K 4.2681 8.7673 129.7086 55.5720 33.0496 176.8700 35 G 3.9597 8.8279 117.2620 44.3246 0.0000 174.6061 36 R 3.8977 8.4196 117.9872 59.0515 30.0454 178.9304 37 S 4.1310 7.9038 111.2703 59.7459 63.2585 175.1306 38 G 3.7687 8.2344 109.9850 44.7524 0.0000 173.3661 39 A 4.4517 7.6444 121.1000 51.9174 20.0494 176.2638 40 F 5.4807 9.3974 118.5508 55.7524 41.8306 175.1178 41 S 5.4180 9.4747 117.7747 56.7830 66.6753 172.7428 42 F 4.8632 8.4857 121.9619 56.8298 42.7139 172.5475 43 E 4.9509 7.7723 125.1330 54.7946 32.8811 174.3124 44 R 4.6176 8.9136 124.3063 54.2472 34.5993 174.9807 45 S 4.7223 8.7687 119.0762 58.7025 64.0311 173.5192 46 L 4.7831 8.8249 123.0370 53.4047 44.7894 176.1858 47 D 4.5725 8.8757 123.2644 54.6904 39.9325 171.2298 48 P 4.5991 0.0000 0.0000 62.9229 32.7121 177.0092 49 T 4.1985 8.0646 109.8078 63.0022 69.7200 174.3835 50 S 4.4571 7.3373 115.0585 56.5232 65.3629 172.1836 51 P 4.0684 0.0000 0.0000 64.1517 31.1734 176.1526 52 Y 3.7147 8.0373 118.7775 59.1761 35.8683 170.4377 53 Q 4.5718 7.7410 116.2255 54.3035 29.0801 175.0716 54 A 4.3271 7.5373 122.5838 51.6914 19.8913 178.7762 55 A 3.6896 7.9951 123.9694 54.6541 18.9771 177.6569 56 F 5.0112 8.0132 111.5376 56.2631 44.4415 173.8996 57 K 5.1248 9.2601 118.8249 54.7175 36.3603 175.2336 58 L 5.0090 8.9277 125.8909 53.7887 43.7833 175.5433 59 K 5.6240 8.5814 124.5404 53.7557 36.3173 175.4035 *61 T 4.7035 8.1552 116.0149 63.9351 70.1657 173.4063 62 V 5.0218 8.9836 126.3627 60.9197 33.9851 175.0791 63 N 4.5800 8.7665 125.1543 52.3795 37.9608 176.0072 64 A 4.4511 8.3683 121.5619 54.7382 18.5647 178.4759 65 D 4.4461 7.8978 113.1589 54.5793 41.2697 176.7422 66 L 3.6249 7.9462 118.2166 55.6555 39.3454 175.0207 67 T 4.4855 8.1593 106.8343 61.3322 69.8464 173.5839 68 G 4.5392 7.6515 108.6035 45.5464 0.0000 171.5826 69 F 6.0118 9.7426 115.3641 55.6142 42.1736 172.8387 70 K 4.8364 9.1045 118.4705 54.7120 36.3588 175.8189 *72 T 4.3119 8.2356 110.0241 62.0723 70.6480 172.6738 73 T 5.1485 8.2935 112.3906 60.2999 71.3292 173.6307 74 V 5.1286 8.7116 117.8684 59.3505 36.6734 175.0630 75 T 4.6201 8.9018 113.3730 61.1031 70.0376 175.7281 76 G 3.8349 8.8483 109.3590 47.3713 0.0000 174.2305 77 N 4.3879 7.6927 115.6601 53.5014 37.5684 176.3559 78 G 3.9756 8.3513 107.5029 45.7840 0.0000 173.6022 79 V 4.1761 8.3945 117.1738 64.2794 33.4704 176.0045 80 Q 4.1966 8.1966 119.0641 55.6341 29.5018 175.9710 81 R 4.5188 8.8299 123.1226 56.8111 30.6723 175.8643 82 A 4.8400 8.8243 123.9907 50.0981 22.6240 175.4422 83 N 4.7257 8.7189 118.1401 51.8599 39.8315 174.3157 84 I 3.6104 7.9054 118.5305 61.1197 38.5263 176.4559 85 F 4.4526 8.1304 122.2063 59.1193 40.3843 176.6911 86 K 3.9789 8.6129 122.5370 56.4122 31.5839 179.2729 87 N 4.2623 9.4991 119.4344 52.4822 36.3091 173.5101 88 D 4.3772 8.2998 114.8177 55.3044 40.0815 174.2975 89 A 4.1866 7.6555 119.8482 53.6583 19.7983 178.1070 90 H 5.0322 7.5752 112.3460 53.0355 29.5494 172.5107 91 P 4.2766 0.0000 0.0000 65.9726 31.6506 178.4940 92 E 3.9247 8.1798 117.6740 59.0744 29.3885 178.8859 93 A 4.0238 7.9924 120.3599 55.1651 18.4718 179.6723 94 V 3.3742 7.8061 116.6837 66.1506 31.5810 178.0555 95 E 4.0260 8.4700 118.6321 59.4401 29.3067 179.2211 96 Q 3.9531 8.1654 119.5604 58.9919 29.1032 177.7819 97 L 3.9615 8.1925 121.7000 58.4971 42.0615 179.2507 98 R 3.9755 8.4687 118.2475 59.2630 29.7234 178.4204 99 Y 3.8653 8.0311 118.6082 60.6532 38.7009 177.9277 100 I 3.7683 7.8967 120.5646 64.5636 37.2799 178.5926 101 L 3.4452 7.9311 119.2488 57.1255 41.3155 179.3497 102 A 3.9864 8.0374 121.3097 55.1516 18.0101 179.3691 103 N 4.2625 7.6189 114.5314 56.5138 38.5125 177.6752 104 F 4.4254 7.8780 118.7834 60.4980 38.5612 177.7004 105 I 4.5688 7.9662 121.0250 64.0965 36.7541 178.2801 106 E 4.1646 8.2945 117.7384 58.1122 29.2247 177.9452 107 R 4.4820 7.2649 116.7519 55.4336 30.6923 175.0707 108 D 4.3499 7.5663 114.5072 55.8588 40.1291 174.5635 109 I 4.0767 8.0351 119.0029 62.1923 39.3383 176.4874 110 L 5.3649 7.7768 120.1216 52.9948 45.9836 175.3821 111 T 5.0144 8.9452 110.7571 60.3502 72.7184 172.0500 112 T 5.0026 7.9850 115.1113 58.8604 71.3421 173.2463 113 D 4.4759 8.3800 122.1269 54.5688 40.9019 176.6539 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 8.35 3.79 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 0.00 0.00 0.00 *2 A 8.82 4.30 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 3 Y 7.85 4.75 0.00 2.91 2.87 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 4 T 9.00 4.94 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 1.20 0.00 0.00 5 T 8.67 4.66 4.32 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 1.32 0.00 0.00 6 T 7.99 5.49 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 1.29 0.00 0.00 7 V 9.21 4.41 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 0.93 0.00 0.00 0.11 0.00 0.00 8 K 8.55 4.89 0.00 1.77 1.66 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.57 7.81 9 L 8.66 4.20 0.00 1.90 1.77 1.12 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.62 4.48 0.00 2.86 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 11 G 8.98 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 0.00 0.00 0.00 12 D 7.79 3.49 0.00 2.16 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 13 T 7.81 4.19 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 1.14 0.00 0.00 14 K 7.75 4.41 0.00 1.56 1.32 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.25 7.81 15 T 7.91 4.79 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 1.27 0.00 0.00 16 Y 9.19 4.94 0.00 3.21 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 17 T 8.92 5.27 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 1.29 0.00 0.00 18 L 8.71 4.06 0.00 1.12 1.50 0.52 1.22 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 19 S 8.79 4.30 0.00 3.83 3.67 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 0.00 0.00 0.00 0.00 20 P 0.00 4.47 0.00 2.18 2.12 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 21 T 7.63 4.50 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 1.17 0.00 0.00 22 V 7.28 3.68 1.95 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 0.54 0.00 0.00 0.55 0.00 0.00 23 K 7.98 4.40 0.00 1.68 1.58 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.48 7.81 24 K 8.62 3.30 0.00 1.50 1.39 0.00 1.68 0.00 0.00 1.17 0.00 0.00 3.12 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.71 7.81 25 Y 7.41 4.56 0.00 3.00 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 26 T 7.95 4.01 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 1.17 0.00 0.00 27 L 7.76 3.24 0.00 1.25 1.03 -0.25 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 *29 D 8.03 4.60 0.00 2.83 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 30 L 7.89 4.49 0.00 1.86 1.88 1.12 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.53 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.53 4.72 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 33 V 8.98 4.50 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 1.06 0.00 0.00 1.00 0.00 0.00 34 K 8.77 4.27 0.00 1.18 1.54 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.55 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.15 1.01 7.81 35 G 8.83 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 36 R 8.42 3.90 0.00 1.80 2.00 0.00 3.21 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 37 S 7.90 4.13 0.00 3.98 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 38 G 8.23 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 39 A 7.64 4.45 1.35 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 0.00 0.00 40 F 9.40 5.48 0.00 3.03 3.18 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 0.00 41 S 9.47 5.42 0.00 3.95 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 42 F 8.49 4.86 0.00 1.51 2.24 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 43 E 7.77 4.95 0.00 1.90 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 2.11 2.31 0.00 44 R 8.91 4.62 0.00 1.72 1.71 0.00 3.29 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.82 0.00 45 S 8.77 4.72 0.00 3.71 3.76 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 46 L 8.82 4.78 0.00 1.69 1.61 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.88 4.57 0.00 2.92 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 48 P 0.00 4.60 0.00 2.29 1.95 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 49 T 8.06 4.20 4.21 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 1.17 0.00 0.00 50 S 7.34 4.46 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 51 P 0.00 4.07 0.00 2.01 1.70 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 52 Y 8.04 3.71 0.00 3.19 3.05 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 53 Q 7.74 4.57 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.99 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 54 A 7.54 4.33 1.28 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 0.00 0.00 0.00 55 A 8.00 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.01 5.01 0.00 2.92 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 57 K 9.26 5.12 0.00 1.67 1.66 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.37 7.81 58 L 8.93 5.01 0.00 1.80 1.61 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.58 5.62 0.00 1.70 1.76 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.26 7.81 *61 T 8.16 4.70 4.47 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 1.56 0.00 0.00 62 V 8.98 5.02 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 0.99 0.00 0.00 0.73 0.00 0.00 63 N 8.77 4.58 0.00 2.18 1.42 0.00 0.00 6.60 7.95 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 64 A 8.37 4.45 1.32 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 0.00 0.00 65 D 7.90 4.45 0.00 2.59 2.67 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 0.00 0.00 0.00 0.00 66 L 7.95 3.62 0.00 1.72 1.62 0.76 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.16 4.49 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 1.20 0.00 0.00 68 G 7.65 4.54 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 69 F 9.74 6.01 0.00 3.31 2.98 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 70 K 9.10 4.84 0.00 1.59 1.64 0.00 1.32 0.00 0.00 1.48 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.09 7.81 *72 T 8.24 4.31 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 1.20 0.00 0.00 73 T 8.29 5.15 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 1.21 0.00 0.00 74 V 8.71 5.13 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 0.86 0.00 0.00 0.99 0.00 0.00 75 T 8.90 4.62 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 1.28 0.00 0.00 76 G 8.85 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 0.00 0.00 0.00 77 N 7.69 4.39 0.00 2.85 2.94 0.00 0.00 7.00 6.88 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 78 G 8.35 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 0.00 0.00 0.00 79 V 8.39 4.18 2.21 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 0.85 0.00 0.00 0.99 0.00 0.00 80 Q 8.20 4.20 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 81 R 8.83 4.52 0.00 1.71 2.05 0.00 3.32 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 82 A 8.82 4.84 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 83 N 8.72 4.73 0.00 2.67 2.74 0.00 0.00 7.02 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 84 I 7.91 3.61 1.09 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.36 -0.43 0.00 0.00 85 F 8.13 4.45 0.00 3.14 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 86 K 8.61 3.98 0.00 1.67 1.74 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.32 7.81 87 N 9.50 4.26 0.00 2.86 2.92 0.00 0.00 7.18 8.06 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 88 D 8.30 4.38 0.00 2.75 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 89 A 7.66 4.19 1.18 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 0.00 0.00 0.00 90 H 7.58 5.03 0.00 3.21 3.27 0.00 5.63 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 91 P 0.00 4.28 0.00 2.27 2.32 0.00 3.78 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 92 E 8.18 3.92 0.00 2.05 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 0.00 2.40 2.38 0.00 93 A 7.99 4.02 1.40 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 0.00 0.00 0.00 94 V 7.81 3.37 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 1.22 0.00 0.00 0.56 0.00 0.00 95 E 8.47 4.03 0.00 2.15 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 0.00 2.53 2.49 0.00 96 Q 8.17 3.95 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 97 L 8.19 3.96 0.00 1.78 1.88 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.47 3.98 0.00 2.07 2.05 0.00 3.51 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 99 Y 8.03 3.87 0.00 3.11 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 0.00 100 I 7.90 3.77 1.93 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 1.63 0.98 0.67 0.00 0.00 101 L 7.93 3.45 0.00 1.55 1.49 0.32 0.38 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 0.00 102 A 8.04 3.99 1.25 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 0.00 0.00 0.00 103 N 7.62 4.26 0.00 2.83 2.93 0.00 0.00 6.99 7.80 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 0.00 104 F 7.88 4.43 0.00 3.03 2.90 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 0.00 105 I 7.97 4.57 2.06 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.91 0.93 0.00 0.00 106 E 8.29 4.16 0.00 2.06 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 2.54 2.46 0.00 107 R 7.26 4.48 0.00 1.76 1.88 0.00 3.47 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 108 D 7.57 4.35 0.00 2.75 2.67 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 0.00 0.00 0.00 0.00 109 I 8.04 4.08 1.75 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.58 0.32 0.00 0.00 110 L 7.78 5.36 0.00 1.68 1.69 0.99 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.95 5.01 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 1.20 0.00 0.00 112 T 7.99 5.00 3.70 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 1.08 0.00 0.00 113 D 8.38 4.48 0.00 2.63 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 * Residues marked with a * may have inaccurate shift predictions.