NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4378 8.3049 120.3268 54.5147 33.4342 174.9113 1 I 3.5209 8.2260 121.0823 62.1334 37.5006 174.2925 2 Q 4.8407 9.3455 124.2517 54.6119 33.3430 174.0509 3 R 4.8065 9.1718 123.5553 54.5488 33.4671 175.4287 4 T 4.9003 8.8343 119.9558 61.7605 69.5271 172.8539 5 P 4.8289 0.0000 0.0000 62.8814 32.4048 176.1088 6 K 4.4701 9.2819 122.6758 56.2164 33.7653 175.9331 7 I 5.1935 8.2969 123.0277 59.7391 40.6419 174.7282 8 Q 4.9633 9.4824 125.7255 53.9882 32.2246 174.6621 9 V 5.1637 8.4186 123.2950 60.2725 33.7876 174.3052 10 Y 5.2690 8.3995 121.0561 56.6100 41.5615 173.0956 11 S 5.0256 9.1930 114.9150 57.2213 64.6744 174.2424 12 R 4.1320 9.0585 123.1658 59.5754 30.0512 176.4947 13 H 5.0369 8.4384 113.6878 52.7746 31.2685 172.6327 14 P 4.3048 0.0000 0.0000 62.9335 31.5917 176.4302 15 A 4.2804 8.8003 126.0558 52.2968 19.1621 176.5621 16 E 4.6649 8.5524 121.4538 54.0798 32.8970 175.0823 17 N 4.6734 8.8196 121.8084 54.9514 38.9636 175.4991 18 G 3.9320 9.4016 111.5079 45.2033 0.0000 173.0374 19 K 4.5488 7.4470 119.1332 53.7985 34.2817 176.3530 20 S 4.1987 8.3067 117.9386 58.7070 63.9588 172.8636 21 N 4.9516 8.4739 118.8937 53.3315 42.8732 172.3385 22 F 5.2406 8.9892 116.4607 55.6410 43.2197 173.8867 23 L 4.1388 8.6288 125.3372 53.2316 43.7446 174.7762 24 N 5.4788 8.8074 123.4071 51.4473 42.2438 172.8122 25 C 5.3695 9.3866 122.1266 55.1691 47.8199 171.8685 26 Y 5.4598 9.5378 129.1563 56.4604 40.2263 174.4527 27 V 5.0609 8.7562 120.6109 59.6701 34.7592 175.1015 28 S 4.9941 8.9154 118.7288 57.6833 66.9990 174.7431 29 G 4.2909 8.6828 107.0457 46.8925 0.0000 173.4786 30 F 5.2846 7.3261 114.4304 55.9687 40.8949 174.0716 31 H 5.3112 8.9160 117.2411 54.7377 33.7575 171.8590 32 P 5.0455 0.0000 0.0000 62.5068 32.1249 176.1386 33 S 4.0544 8.4238 113.0184 59.8652 63.2557 173.7940 34 D 4.3125 7.8970 121.0833 54.6505 41.0171 174.6640 35 I 4.6536 7.9110 125.3867 59.6877 41.4413 172.9598 36 E 4.6321 8.9874 128.1272 54.2945 32.2542 174.8239 37 V 4.5899 7.9687 125.5684 61.2336 34.3351 173.9550 38 D 4.9507 9.0501 127.0382 52.4481 45.3049 174.4482 39 L 5.0649 8.3393 120.5205 53.1499 44.4551 175.2516 40 L 5.1651 9.1115 123.2623 52.7521 44.9939 175.2105 41 K 4.1222 9.1498 125.4101 54.6819 34.0634 175.9768 42 N 4.0986 10.0601 128.4258 54.3130 36.6806 175.6113 43 G 3.8875 8.4722 107.3372 45.8437 0.0000 173.9837 *44 E 4.5327 7.9549 117.1249 53.5688 31.2343 181.0257 45 R 4.3641 8.4953 124.4637 55.6799 30.5555 175.9387 46 I 4.0741 8.6744 129.8203 61.6325 37.9952 176.5622 *47 E 4.2110 8.7562 120.6525 57.8591 30.6086 175.3448 48 K 4.2866 7.6881 121.5419 54.7244 30.6512 174.7187 49 V 4.4173 7.4043 119.3319 61.0457 33.6529 175.1746 50 E 4.5895 8.2904 127.4688 55.1492 32.1540 174.4550 51 H 5.2845 7.7802 115.2872 53.6393 31.6259 173.2203 52 S 4.5150 8.9066 115.2291 58.3123 63.8635 173.6531 53 D 4.5166 8.5275 120.7102 53.5866 41.3042 176.2809 54 L 3.9868 8.5171 124.9685 56.3365 42.5960 175.8933 55 S 4.7414 8.3168 118.7926 56.9409 66.7379 171.7581 56 F 5.2181 7.4998 115.7387 55.6130 41.2154 173.9783 57 S 4.7225 8.9876 118.6164 57.2921 64.5844 176.2105 *58 K 3.8694 8.5927 122.4166 58.0356 31.1572 174.7773 59 D 4.4994 7.8063 115.5756 52.9619 39.3368 177.2432 60 W 3.6872 7.8050 119.3161 56.7837 28.2372 174.6639 61 S 4.3566 8.1803 114.4618 58.1330 63.8930 174.1174 62 F 4.9606 8.6417 122.0587 57.4391 40.5285 174.0622 63 Y 5.4372 8.2798 117.7789 55.9893 41.8147 173.8888 64 L 5.0336 9.3656 119.7519 53.5214 47.0944 174.3731 65 L 5.4017 9.4738 125.2697 53.8581 44.4057 174.4931 66 Y 5.1861 9.3712 124.8677 56.7737 40.3899 174.4028 67 Y 5.4297 8.6241 120.5480 56.5039 41.9609 173.4802 68 T 4.9888 8.8685 114.3482 60.6121 71.5046 172.6810 69 E 3.8902 8.5201 126.0364 56.3962 30.2774 176.1920 70 F 4.8509 8.9421 117.1956 56.0287 41.6173 173.5442 71 T 4.4930 8.2101 116.7453 60.6809 70.7061 171.6712 72 P 4.4965 0.0000 0.0000 62.8569 32.8412 175.5753 73 T 4.9717 8.5285 112.9697 60.1272 72.1538 174.3314 *74 E 4.1377 9.0051 116.9735 58.7007 29.6934 175.5235 75 K 4.3663 7.9552 116.9726 58.2572 33.7031 177.1912 76 D 4.5975 8.0848 119.5564 54.2595 41.3627 175.1427 77 E 4.9890 9.4511 123.3900 54.9029 32.2069 174.7202 78 Y 5.6864 9.1247 119.7137 55.6984 42.3915 174.1338 79 A 5.1431 8.4032 121.4345 51.3741 23.3898 175.2242 80 C 5.3322 9.2760 119.3548 54.7562 46.0763 172.5809 81 R 5.0753 9.2027 126.2579 54.4866 32.5821 174.1982 82 V 4.8193 8.9214 126.2893 61.0854 34.6941 173.7590 83 N 5.3448 8.9617 124.6349 51.9518 41.9783 172.9432 84 H 4.7435 8.4207 120.6739 54.9711 33.0210 174.6070 85 V 3.6225 8.0673 122.0636 64.7909 31.3110 177.3258 86 T 4.1576 7.9949 108.7586 62.2778 69.2002 173.4561 87 L 4.9173 7.6263 123.4455 52.9228 43.4921 176.7844 88 S 4.3001 8.7723 118.9345 60.1563 63.5707 174.0725 89 Q 4.7094 7.5569 117.6933 52.7165 32.1494 173.0339 90 P 4.7308 0.0000 0.0000 62.3751 32.3174 175.6807 91 K 4.4763 9.1052 125.4790 55.0169 33.9473 174.8891 92 I 4.9259 8.4028 128.0590 59.5020 39.5737 174.9591 93 V 4.3972 8.6253 127.4936 60.7736 33.6649 174.9251 94 K 4.6776 8.7442 127.8723 55.9500 32.9361 176.7059 95 W 4.5672 9.2236 135.0000 57.3591 31.5753 174.8165 96 D 4.5009 8.4488 126.4299 51.8657 42.4897 176.5278 97 R 3.6005 7.7017 123.2067 57.9144 29.5108 176.4152 98 D 4.9621 8.0525 118.5438 53.9220 41.6614 175.7154 99 M 4.3855 7.9683 122.9264 55.2530 33.1723 175.0678 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 M 8.30 4.44 0.00 2.02 2.08 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 2.50 2.56 0.00 1 I 8.23 3.52 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.02 0.89 0.00 0.00 2 Q 9.35 4.84 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 3 R 9.17 4.81 0.00 1.95 1.98 0.00 3.18 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 4 T 8.83 4.90 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 1.24 0.00 0.00 5 P 0.00 4.83 0.00 2.00 1.80 0.00 3.72 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.70 0.00 6 K 9.28 4.47 0.00 1.76 1.83 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.48 7.81 7 I 8.30 5.19 1.92 0.00 0.00 0.85 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 0.61 0.97 0.00 0.00 8 Q 9.48 4.96 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 9 V 8.42 5.16 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 1.03 0.00 0.00 1.01 0.00 0.00 10 Y 8.40 5.27 0.00 3.19 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 11 S 9.19 5.03 0.00 4.40 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 0.00 12 R 9.06 4.13 0.00 1.85 2.26 0.00 3.23 0.00 0.00 3.06 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.49 0.00 13 H 8.44 5.04 0.00 3.27 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.30 0.00 2.10 2.08 0.00 3.80 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 2.09 2.17 0.00 15 A 8.80 4.28 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.55 4.66 0.00 1.98 1.81 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 2.30 2.48 0.00 17 N 8.82 4.67 0.00 2.72 2.79 0.00 0.00 7.25 7.65 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 18 G 9.40 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.45 4.55 0.00 1.82 1.67 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.31 7.81 20 S 8.31 4.20 0.00 3.78 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 21 N 8.47 4.95 0.00 2.55 2.48 0.00 0.00 7.02 7.33 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 22 F 8.99 5.24 0.00 3.04 2.91 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 23 L 8.63 4.14 0.00 0.27 0.65 -0.32 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.81 5.48 0.00 1.44 2.09 0.00 0.00 6.01 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 25 C 9.39 5.37 0.00 2.90 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 26 Y 9.54 5.46 0.00 3.42 3.20 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 27 V 8.76 5.06 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 0.67 0.00 0.00 1.22 0.00 0.00 28 S 8.92 4.99 0.00 3.85 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.68 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 0.00 0.00 0.00 0.00 30 F 7.33 5.28 0.00 3.05 3.20 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 31 H 8.92 5.31 0.00 3.32 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 5.05 0.00 2.15 2.17 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 33 S 8.42 4.05 0.00 3.26 2.63 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 34 D 7.90 4.31 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.65 1.44 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.70 0.80 0.00 0.00 36 E 8.99 4.63 0.00 1.97 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 37 V 7.97 4.59 0.67 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 0.32 0.00 0.00 0.47 0.00 0.00 38 D 9.05 4.95 0.00 2.49 2.43 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 39 L 8.34 5.06 0.00 1.55 1.51 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.11 5.17 0.00 1.50 1.50 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.15 4.12 0.00 1.69 1.58 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.12 0.73 7.81 42 N 10.06 4.10 0.00 2.69 2.77 0.00 0.00 7.21 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 43 G 8.47 3.89 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 0.00 0.00 0.00 *44 E 7.95 4.53 0.00 1.88 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 2.09 0.00 45 R 8.50 4.36 0.00 1.74 1.86 0.00 3.31 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 46 I 8.67 4.07 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 0.92 0.00 0.00 *47 E 8.76 4.21 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.86 0.00 48 K 7.69 4.29 0.00 1.69 1.75 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.35 7.81 49 V 7.40 4.42 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 0.96 0.00 0.00 0.99 0.00 0.00 50 E 8.29 4.59 0.00 1.16 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 2.06 2.28 0.00 51 H 7.78 5.28 0.00 2.27 1.78 0.00 5.73 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 52 S 8.91 4.51 0.00 3.99 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 53 D 8.53 4.52 0.00 2.70 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 54 L 8.52 3.99 0.00 1.63 1.63 0.79 0.60 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 55 S 8.32 4.74 0.00 3.80 2.83 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 56 F 7.50 5.22 0.00 2.80 2.48 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 57 S 8.99 4.72 0.00 4.14 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 *58 K 8.59 3.87 0.00 1.77 1.75 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.02 7.81 59 D 7.81 4.50 0.00 2.76 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 60 W 7.80 3.69 0.00 3.30 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 61 S 8.18 4.36 0.00 3.97 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 62 F 8.64 4.96 0.00 1.60 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 63 Y 8.28 5.44 0.00 2.87 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 64 L 9.37 5.03 0.00 1.93 1.70 1.18 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.47 5.40 0.00 2.05 1.75 1.14 0.81 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 66 Y 9.37 5.19 0.00 3.13 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.62 5.43 0.00 3.11 3.11 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 0.00 0.00 0.00 0.00 68 T 8.87 4.99 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 1.10 0.00 0.00 69 E 8.52 3.89 0.00 1.69 1.54 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 1.47 1.94 0.00 70 F 8.94 4.85 0.00 2.79 2.63 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 71 T 8.21 4.49 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 1.13 0.00 0.00 72 P 0.00 4.50 0.00 2.25 1.99 0.00 3.34 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.61 0.00 73 T 8.53 4.97 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 1.26 0.00 0.00 *74 E 9.01 4.14 0.00 2.01 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 2.23 1.88 0.00 75 K 7.96 4.37 0.00 1.88 1.98 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.50 7.81 76 D 8.08 4.60 0.00 2.95 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 77 E 9.45 4.99 0.00 1.84 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 2.35 2.33 0.00 78 Y 9.12 5.69 0.00 3.06 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 79 A 8.40 5.14 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 80 C 9.28 5.33 0.00 2.97 2.93 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 0.00 0.00 0.00 81 R 9.20 5.08 0.00 1.80 1.67 0.00 3.05 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 82 V 8.92 4.82 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 0.77 0.00 0.00 0.81 0.00 0.00 83 N 8.96 5.34 0.00 2.64 2.60 0.00 0.00 6.17 7.82 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 84 H 8.42 4.74 0.00 3.02 3.03 0.00 5.68 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.07 3.62 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 0.75 0.00 0.00 0.93 0.00 0.00 86 T 7.99 4.16 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 1.35 0.00 0.00 87 L 7.63 4.92 0.00 1.77 1.81 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.77 4.30 0.00 3.98 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 89 Q 7.56 4.71 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 90 P 0.00 4.73 0.00 1.91 1.95 0.00 3.70 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 91 K 9.11 4.48 0.00 1.83 1.64 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.45 7.81 92 I 8.40 4.93 1.88 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 0.77 0.93 0.00 0.00 93 V 8.63 4.40 2.14 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 1.16 0.00 0.00 0.97 0.00 0.00 94 K 8.74 4.68 0.00 1.74 1.81 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.48 7.81 95 W 9.22 4.57 0.00 3.29 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 96 D 8.45 4.50 0.00 2.59 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 3.60 0.00 1.82 1.09 0.00 2.97 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.47 0.00 98 D 8.05 4.96 0.00 2.58 2.60 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 99 M 7.97 4.39 0.00 2.04 1.89 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 2.50 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.