NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5305 8.2893 120.3281 55.4697 33.5992 173.8864 2 N 4.9012 9.0625 117.7452 50.3834 41.2700 173.9577 3 R 3.8962 9.2121 120.2844 59.4344 30.4018 180.2778 4 E 3.9758 9.0025 118.5517 59.5405 29.4216 179.3256 5 E 3.9647 8.3329 117.9572 59.6283 29.5616 179.1165 6 M 4.0194 7.9560 118.6222 58.6567 31.9559 178.9268 7 T 3.6318 8.2851 116.0321 66.7226 68.7103 176.6957 8 L 4.2431 8.6082 121.1273 57.7000 41.6036 179.3647 9 L 4.0642 8.3706 120.8244 58.0319 42.0451 179.1317 10 G 3.5152 8.2055 106.0032 47.9329 0.0000 175.4839 11 F 4.3541 8.0301 120.6684 60.3613 38.9723 177.6726 12 E 3.8098 8.3480 118.0864 59.3056 29.2237 179.5690 13 I 3.7658 7.8088 119.8320 64.4794 37.2405 178.4465 14 V 3.5507 8.2479 119.2322 65.9625 31.3101 177.7794 15 A 3.8609 8.0513 120.4831 55.4883 18.2359 179.2763 16 Y 4.2385 7.5521 114.5905 61.2380 37.9123 178.6662 17 A 4.1437 8.6757 122.3021 55.0803 18.4259 179.9610 18 G 3.4763 8.4987 104.7138 47.8555 0.0000 175.7800 19 D 4.3262 8.0680 120.6326 57.1754 40.9217 178.6190 20 A 4.0348 8.1610 121.2758 55.1360 18.2610 179.6030 21 R 3.8418 8.2706 117.2913 59.6707 30.1370 178.5348 22 S 4.1032 8.0564 112.8709 61.5848 62.3787 176.3990 23 K 4.0199 8.2050 120.9979 59.3240 31.7465 179.4395 24 L 4.0548 8.1494 119.4303 57.8452 41.5492 179.5834 25 L 4.0547 8.3200 119.3409 57.6473 41.4428 179.1693 26 E 3.9213 8.6566 119.6136 59.0016 29.5200 178.6750 27 A 3.9845 8.3792 121.2695 55.2295 18.4125 179.5525 28 L 4.0339 8.0854 117.4872 57.7616 41.6849 179.6718 29 K 3.8160 8.1665 119.3425 59.3890 32.2358 178.6683 30 A 3.8031 8.2314 121.0422 55.1865 18.3931 179.4730 31 A 3.6245 8.2515 119.6648 55.1046 18.1720 179.4676 32 E 2.5459 7.5345 117.1962 58.7410 29.7545 177.9449 33 N 4.5012 7.4327 113.5337 53.1353 38.9031 176.1919 34 G 3.2665 7.2251 109.4860 45.5358 0.0000 174.9804 35 D 4.4258 7.0954 120.3619 53.1439 38.3079 176.2312 36 F 4.3874 7.5672 122.1948 59.7413 39.4220 176.8467 37 A 4.0123 7.9792 120.3616 55.0003 18.2715 179.2625 38 K 3.8209 8.0697 117.7207 59.5335 32.1426 178.5975 39 A 4.0150 7.8097 120.4446 55.4924 18.3446 179.3316 40 D 4.3296 8.1652 117.2241 57.6038 40.9060 179.0668 41 S 4.1152 8.2589 113.6055 61.4430 62.3709 176.2473 42 L 4.0426 8.7228 122.2162 57.6509 41.2318 179.6921 43 V 3.6165 8.0954 118.7252 65.9984 31.4906 178.5348 44 V 3.6494 7.9685 112.2309 64.4785 31.4968 178.3844 45 E 3.9819 8.2470 118.1078 59.2823 29.2842 179.2861 46 A 4.1150 8.2633 121.0836 55.1321 18.3879 179.7488 47 G 3.6786 8.4080 104.6476 48.1119 0.0000 176.0395 48 S 4.0931 8.0876 117.1976 61.6946 62.6841 176.5026 49 C 4.0781 7.6990 117.6185 62.9643 28.1601 176.0508 50 I 3.8096 7.9564 121.1197 64.1700 35.3271 178.0604 51 A 3.9953 8.1183 121.9327 55.3791 17.9558 179.1546 52 E 3.9759 7.5189 114.5334 57.8902 29.7051 178.6702 53 A 4.2374 7.2912 120.9141 54.3410 18.8660 178.0518 54 H 4.1235 6.8795 111.6240 56.4737 29.2150 175.1101 *60 M 4.5169 8.3439 123.5054 55.4600 34.2402 177.6412 61 L 4.0274 7.9718 117.3038 58.0747 41.9108 179.5951 62 A 3.9952 7.9402 119.9066 55.0800 18.1639 179.6190 63 R 3.9180 7.7664 116.3716 58.9080 30.3290 178.3736 64 E 4.6123 9.0019 119.6587 58.8637 29.8401 178.4695 65 A 4.2195 8.4654 121.3785 54.6732 18.2726 179.1855 66 S 4.6427 8.5186 111.0401 55.6180 62.8582 176.5672 67 G 4.5763 7.7645 117.6550 46.5334 0.0000 173.0374 68 E 4.7244 8.9079 124.8523 53.2025 37.4300 178.9802 69 E 3.4090 9.5532 120.6638 57.1801 31.2880 171.5889 70 L 3.5573 8.5584 126.4481 53.8871 40.4714 172.2127 71 P 4.5140 0.0000 0.0000 61.8135 32.2934 175.6670 72 Y 4.1898 8.5575 123.1251 57.8734 39.4005 175.8183 73 S 4.0407 7.7434 120.3331 55.4937 65.4725 174.7666 74 V 3.4037 7.7444 129.9721 65.1814 31.1129 178.3869 75 T 3.6216 7.5324 115.8528 66.3812 68.2343 176.1487 76 M 3.8926 7.8723 120.2637 58.9090 32.2960 178.2826 77 M 4.1254 7.9717 118.8554 58.2645 32.0918 178.2908 78 H 4.2431 8.5414 119.1744 59.0758 29.9822 177.5141 79 G 3.5426 8.2733 107.8350 47.8866 0.0000 175.6042 80 Q 3.9841 8.0845 120.8084 58.4936 28.7045 178.6125 81 L 3.9125 8.4072 121.5630 58.4390 42.0514 178.4610 82 H 3.9834 8.6342 118.3300 59.1116 29.7245 176.7936 83 L 3.9555 8.2237 122.4083 58.5884 41.8688 178.8803 84 M 4.0810 8.6141 119.0252 58.6824 31.9756 178.9555 85 T 3.8921 8.3162 110.3100 65.0879 68.8191 176.8122 86 T 3.9573 8.2076 118.7622 66.4377 68.4582 176.8722 87 I 3.7457 8.1757 122.2501 64.0778 36.7968 178.1387 88 L 3.9730 8.0921 121.5223 57.9952 41.9049 178.8634 89 L 4.0229 7.8129 120.1431 58.0968 41.8683 178.7811 90 K 3.9663 8.0723 118.4784 59.6750 32.2188 178.0100 91 D 4.6115 8.5832 117.4579 55.8915 41.2211 177.1061 92 V 4.5124 7.3306 109.7093 60.3146 33.7412 177.3243 93 I 3.7672 8.0343 120.5143 64.1164 37.5722 177.0027 94 H 4.0932 8.2822 118.9133 59.6376 29.5968 176.8038 95 H 4.1081 8.1469 117.6370 58.6594 28.6617 177.7635 96 L 3.9557 7.9048 120.3228 57.8496 41.4829 179.5033 97 I 3.9863 8.0343 119.7878 64.4567 37.0432 177.9504 98 E 3.7745 8.3788 120.5056 59.4750 29.3859 178.9702 99 L 3.9565 8.3039 119.1592 57.7859 41.4787 179.2371 100 Y 4.2504 7.8598 116.6061 60.9613 37.6470 178.1986 101 K 3.5298 7.9277 118.2467 59.7111 32.2458 179.1771 102 R 4.1306 7.9652 116.9738 59.2963 30.0074 179.1664 103 G 3.7437 7.9326 104.6408 47.5313 0.0000 173.9209 104 A 4.4082 8.2896 126.8237 52.1959 18.6209 177.0202 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 1 M 8.29 4.53 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 2 N 9.06 4.90 0.00 2.95 2.92 0.00 0.00 7.43 6.78 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 3 R 9.21 3.90 0.00 1.87 2.00 0.00 3.15 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.73 0.00 4 E 9.00 3.98 0.00 1.93 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 2.56 2.51 0.00 5 E 8.33 3.96 0.00 2.16 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 2.41 2.41 0.00 6 M 7.96 4.02 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.85 0.00 7 T 8.29 3.63 4.44 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 1.19 0.00 0.00 8 L 8.61 4.24 0.00 1.69 1.79 0.95 0.76 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 9 L 8.37 4.06 0.00 1.98 1.72 0.95 1.10 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 10 G 8.21 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 0.00 0.00 0.00 11 F 8.03 4.35 0.00 3.23 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 12 E 8.35 3.81 0.00 2.16 1.92 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 2.30 2.64 0.00 13 I 7.81 3.77 2.01 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 1.47 0.75 0.94 0.00 0.00 14 V 8.25 3.55 2.30 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 0.98 0.00 0.00 0.93 0.00 0.00 15 A 8.05 3.86 1.10 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 0.00 0.00 16 Y 7.55 4.24 0.00 3.04 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 17 A 8.68 4.14 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 18 G 8.50 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.07 4.33 0.00 3.08 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 20 A 8.16 4.03 1.47 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 0.00 0.00 21 R 8.27 3.84 0.00 2.06 2.25 0.00 3.18 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 22 S 8.06 4.10 0.00 4.05 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 23 K 8.21 4.02 0.00 1.99 2.01 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.74 7.81 24 L 8.15 4.05 0.00 1.89 1.75 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.32 4.05 0.00 1.69 1.73 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.66 3.92 0.00 2.17 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 2.29 2.32 0.00 27 A 8.38 3.98 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.09 4.03 0.00 1.95 1.83 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.17 3.82 0.00 2.00 1.91 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 30 A 8.23 3.80 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 31 A 8.25 3.62 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.53 2.55 0.00 1.73 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 0.00 2.19 2.29 0.00 33 N 7.43 4.50 0.00 2.70 2.69 0.00 0.00 7.19 7.68 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 34 G 7.23 3.27 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 0.00 0.00 0.00 0.00 35 D 7.10 4.43 0.00 2.60 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.57 4.39 0.00 3.15 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 37 A 7.98 4.01 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 38 K 8.07 3.82 0.00 1.90 1.94 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.45 7.81 39 A 7.81 4.01 1.51 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 0.00 0.00 0.00 40 D 8.17 4.33 0.00 2.91 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 41 S 8.26 4.12 0.00 3.91 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 42 L 8.72 4.04 0.00 1.90 1.88 0.99 1.06 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 43 V 8.10 3.62 2.27 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 1.14 0.00 0.00 1.00 0.00 0.00 44 V 7.97 3.65 2.09 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 0.87 0.00 0.00 1.00 0.00 0.00 45 E 8.25 3.98 0.00 2.23 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 2.51 0.00 46 A 8.26 4.12 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.41 3.68 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 0.00 0.00 0.00 48 S 8.09 4.09 0.00 4.06 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 49 C 7.70 4.08 0.00 3.15 3.24 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 50 I 7.96 3.81 2.02 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 1.47 0.92 0.91 0.00 0.00 51 A 8.12 4.00 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 52 E 7.52 3.98 0.00 1.16 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 2.15 2.13 0.00 53 A 7.29 4.24 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 54 H 6.88 4.12 0.00 3.27 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *60 M 8.34 4.52 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 61 L 7.97 4.03 0.00 1.69 1.74 0.93 0.95 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 62 A 7.94 4.00 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 63 R 7.77 3.92 0.00 2.01 2.02 0.00 3.28 0.00 0.00 3.82 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 64 E 9.00 4.61 0.00 1.90 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 0.00 2.33 2.41 0.00 65 A 8.47 4.22 1.38 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 0.00 0.00 0.00 66 S 8.52 4.64 0.00 4.02 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 67 G 7.76 4.58 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 0.00 0.00 0.00 68 E 8.91 4.72 0.00 2.12 1.92 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 2.27 2.30 0.00 69 E 9.55 3.41 0.00 2.18 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 2.21 2.32 0.00 70 L 8.56 3.56 0.00 1.85 1.79 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.51 0.00 2.19 2.06 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 72 Y 8.56 4.19 0.00 2.90 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 73 S 7.74 4.04 0.00 3.67 3.44 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 74 V 7.74 3.40 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 0.74 0.00 0.00 0.93 0.00 0.00 75 T 7.53 3.62 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 0.01 0.00 0.00 76 M 7.87 3.89 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 77 M 7.97 4.13 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.76 0.00 78 H 8.54 4.24 0.00 3.26 3.42 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.27 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 80 Q 8.08 3.98 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.73 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 81 L 8.41 3.91 0.00 1.81 1.85 0.92 0.95 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 82 H 8.63 3.98 0.00 3.20 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.22 3.96 0.00 1.85 1.83 0.89 0.81 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 84 M 8.61 4.08 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.57 0.00 85 T 8.32 3.89 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 1.23 0.00 0.00 86 T 8.21 3.96 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 1.32 0.00 0.00 87 I 8.18 3.75 2.04 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 1.44 0.87 0.95 0.00 0.00 88 L 8.09 3.97 0.00 1.84 1.89 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.81 4.02 0.00 1.85 1.88 0.95 0.53 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 90 K 8.07 3.97 0.00 1.96 1.97 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.65 7.81 91 D 8.58 4.61 0.00 2.86 2.73 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 0.00 0.00 0.00 92 V 7.33 4.51 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 0.97 0.00 0.00 1.05 0.00 0.00 93 I 8.03 3.77 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 1.03 0.00 0.00 94 H 8.28 4.09 0.00 3.26 3.23 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.15 4.11 0.00 3.40 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.90 3.96 0.00 1.89 1.79 0.96 0.77 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 97 I 8.03 3.99 2.04 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 1.57 0.80 1.05 0.00 0.00 98 E 8.38 3.77 0.00 1.86 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 2.23 2.34 0.00 99 L 8.30 3.96 0.00 1.73 1.58 0.90 0.69 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 0.00 100 Y 7.86 4.25 0.00 3.46 3.24 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 0.00 101 K 7.93 3.53 0.00 1.65 1.55 0.00 1.42 0.00 0.00 1.33 0.00 0.00 2.61 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.66 7.81 102 R 7.97 4.13 0.00 1.75 1.99 0.00 3.14 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 103 G 7.93 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 0.00 104 A 8.29 4.41 1.52 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.