NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3445 0.0000 0.0000 62.5284 32.6426 175.0720 2 Q 4.1734 8.4081 120.4990 54.4762 29.8992 173.4187 3 I 4.4318 8.0208 125.8382 59.5836 40.4638 175.3188 4 T 4.3605 8.3213 116.1168 61.0795 70.3206 174.3298 5 L 4.8860 8.0883 118.6051 54.4282 42.8343 177.9825 *6 W 4.0160 8.1924 121.3207 59.3590 28.7735 176.8186 7 Q 4.4007 7.6477 115.6044 54.4146 29.5743 175.2430 8 R 4.1312 8.2164 119.0400 55.4876 31.2911 176.6672 9 P 4.6910 0.0000 0.0000 62.7302 28.8041 175.3756 10 L 4.8938 7.5412 121.1732 55.2512 43.3266 177.9543 11 V 4.5726 8.5381 115.3083 60.2143 37.3003 173.8027 12 T 4.8173 8.4429 118.5178 63.2659 69.7349 174.3425 13 I 4.9918 9.2296 119.7775 58.8897 41.5227 174.0331 14 K 5.0348 8.9733 124.5477 54.6771 34.9283 174.6069 15 I 4.5384 9.2110 127.4898 59.6760 41.0960 175.4571 16 G 3.9989 9.6968 119.6657 46.5830 0.0000 173.3709 17 G 4.0330 8.0774 105.6566 45.0690 0.0000 172.6495 18 Q 4.6317 8.3879 119.4389 54.3469 30.8665 175.2120 19 L 5.0055 8.3513 122.5625 54.4292 43.2795 176.0572 20 K 4.5930 8.7879 119.3669 55.6054 37.2656 174.3587 21 E 5.1034 8.6988 121.8309 55.2184 31.0220 175.4901 22 A 4.8990 8.6654 124.8568 50.0706 23.3906 174.3420 23 L 4.8379 9.1127 122.9816 53.9589 43.9182 175.6349 24 L 4.4582 8.4369 126.9349 54.3810 42.4069 176.2072 25 D 4.7805 9.0288 124.3940 52.5187 42.6921 176.0745 26 T 4.0282 8.7326 116.3033 63.3991 69.4188 175.7502 27 G 3.9299 7.7825 109.7340 45.1013 0.0000 172.7655 28 A 4.6142 7.5985 122.4483 49.7965 20.5824 177.8654 29 D 4.3736 9.0179 123.1801 56.9220 42.0324 176.3131 30 D 5.2830 7.9564 115.7433 52.6470 44.1017 176.1183 31 T 4.6341 8.0724 117.2596 62.8374 70.3299 174.4576 32 V 4.8369 8.6398 125.5337 60.2579 34.3049 174.8905 33 L 4.9128 8.9631 126.2430 53.0591 43.7636 176.5055 34 E 4.5328 9.5449 120.9336 55.9471 30.9730 176.4449 35 E 3.8399 8.4869 120.1666 57.4172 29.8275 176.8565 36 M 4.4842 8.1455 121.6644 55.4607 33.7813 174.0373 37 S 4.6087 8.3688 114.5004 56.1874 65.1855 169.9851 38 L 4.6005 7.9691 124.2087 51.1153 44.4094 173.7206 39 P 4.6597 0.0000 0.0000 62.6704 32.7124 174.2418 40 G 3.8111 8.6749 104.9874 44.4047 0.0000 173.3147 41 R 4.4367 8.4163 118.7516 55.7150 31.1422 175.2841 42 W 5.5952 7.3468 114.0526 56.4494 30.6479 173.9829 43 K 4.4826 8.4905 119.2940 53.7316 35.9460 174.3150 44 P 5.0583 0.0000 0.0000 63.2588 32.5811 174.8572 45 K 4.7122 8.7384 120.6013 55.5571 36.5305 173.9359 46 M 5.3638 8.6400 122.5407 53.6223 34.4660 174.6087 47 I 4.9199 9.4683 119.0455 59.2307 41.4828 174.3632 48 G 3.7264 8.6193 110.7339 44.2100 0.0000 172.2599 49 G 4.1117 7.9551 113.5351 44.2588 0.0000 171.6084 50 I 3.7368 8.1707 123.1204 62.6919 37.7394 175.4924 51 G 4.0204 8.5202 112.3827 45.0354 0.0000 173.5356 52 G 3.6809 6.3274 105.1797 44.5874 0.0000 172.1246 53 F 5.3810 8.5635 119.9172 55.8691 41.9102 175.1698 54 I 4.8512 9.7485 116.8661 59.9678 41.4948 174.4829 *55 K 4.8833 8.6534 126.2358 53.9693 33.4713 176.9097 56 V 4.7075 8.4812 116.6945 58.8883 36.6964 174.2835 57 R 5.0945 9.1058 120.1626 54.6714 33.0098 175.1541 58 Q 4.9711 9.8242 125.9039 54.8559 31.0997 173.6267 59 Y 5.1253 9.3112 124.4400 56.4126 40.8678 174.6890 60 D 5.0957 8.7686 122.6249 52.1578 43.3126 175.8827 61 Q 3.5163 8.4030 116.7843 57.6510 25.8906 173.7882 62 I 4.5774 8.1442 118.8834 59.3883 40.8491 176.1848 63 L 5.0613 8.4782 128.1286 53.7313 43.5182 175.5026 64 I 4.7857 8.8902 126.8068 59.4849 41.4573 173.8547 65 E 4.8448 9.0309 127.9265 55.2165 31.1671 174.7147 66 I 4.5216 9.2378 129.3504 59.5368 39.3863 175.8640 67 C 4.1933 9.5622 128.0134 60.6945 26.2760 173.3788 68 G 4.1940 8.4982 107.4941 45.8008 0.0000 173.9681 69 H 4.5318 8.3777 117.9005 54.7237 29.4626 174.6490 70 K 4.7539 8.5387 124.0670 56.3148 32.9823 176.3940 71 A 4.7735 8.9728 125.1314 50.4668 22.8008 174.9737 72 I 4.9229 9.1838 121.6944 58.9186 40.7485 176.6148 73 G 3.9186 7.7663 110.6261 46.6119 0.0000 171.4292 74 T 4.8701 7.7145 115.9032 63.2623 70.5271 174.3661 75 V 4.6309 9.2877 124.2458 61.4411 35.4681 173.6380 76 L 5.1922 9.0468 128.3388 53.5093 43.5986 175.4722 77 V 4.7110 8.7598 124.5515 60.8676 33.7898 175.3859 78 G 3.9790 7.6993 112.9181 45.3649 0.0000 171.3114 79 P 4.6722 0.0000 0.0000 61.9110 29.8013 175.4591 80 T 4.3678 7.2979 115.0900 60.8898 68.8532 172.6436 81 P 4.5179 0.0000 0.0000 63.8728 31.7972 176.5583 82 V 4.5429 7.1399 117.0989 61.0624 34.4625 173.1379 83 N 4.5771 8.8272 121.5211 53.7052 39.7811 173.6756 84 I 4.7311 8.5392 124.6003 59.5927 40.3773 174.5917 85 I 4.4469 9.2197 129.5677 60.1107 38.7085 176.3247 86 G 4.2177 8.5489 115.6080 44.7381 0.0000 174.3566 87 R 4.0482 8.7256 118.2878 59.0581 30.1442 179.2818 88 N 4.5229 7.5944 114.4873 55.2579 37.6722 176.3172 89 L 4.4240 7.7940 117.7832 56.2889 42.7126 178.5696 90 L 4.0287 8.0779 119.5685 57.8123 41.4396 179.4342 91 T 3.8716 8.5123 110.1010 65.1512 68.3774 176.3095 92 Q 4.0859 7.7643 119.2383 57.4057 28.6785 177.9394 93 I 4.4283 7.3675 112.4550 59.3582 38.6453 175.5836 94 G 3.9190 8.1632 107.3008 47.1240 0.0000 173.6340 95 C 4.6329 7.8903 117.3479 57.7229 33.3605 172.3976 96 T 4.7458 7.9601 114.9506 59.8794 71.5047 173.1436 97 L 4.4278 8.3706 123.1668 54.3079 42.6793 176.3394 98 N 5.1275 8.5992 119.6801 51.6348 42.1931 174.4358 99 F 4.4896 8.6398 117.1929 57.3765 37.5307 173.8890 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 P 0.00 4.34 0.00 2.20 2.13 0.00 3.69 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 1.88 1.97 0.00 2 Q 8.41 4.17 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 3 I 8.02 4.43 1.87 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 1.47 0.79 0.90 0.00 0.00 4 T 8.32 4.36 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 5 L 8.09 4.89 0.00 1.57 1.62 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 *6 W 8.19 4.02 0.00 2.46 2.34 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 7 Q 7.65 4.40 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 8 R 8.22 4.13 0.00 1.79 1.86 0.00 3.19 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 9 P 0.00 4.69 0.00 2.10 2.21 0.00 3.67 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 2.10 1.98 0.00 10 L 7.54 4.89 0.00 1.55 1.74 0.91 0.92 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 11 V 8.54 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 0.75 0.00 0.00 0.92 0.00 0.00 12 T 8.44 4.82 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 13 I 9.23 4.99 1.86 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 1.22 0.91 0.91 0.00 0.00 14 K 8.97 5.03 0.00 1.79 1.66 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.30 1.33 7.81 15 I 9.21 4.54 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.27 0.92 0.00 0.00 16 G 9.70 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 17 G 8.08 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 18 Q 8.39 4.63 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 19 L 8.35 5.01 0.00 1.52 1.58 0.91 0.84 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 20 K 8.79 4.59 0.00 1.66 1.62 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.39 7.81 21 E 8.70 5.10 0.00 1.83 1.86 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 2.24 2.24 0.00 22 A 8.67 4.90 1.21 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 0.00 0.00 0.00 23 L 9.11 4.84 0.00 1.73 1.52 0.95 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.44 4.46 0.00 1.58 1.59 0.91 0.74 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 25 D 9.03 4.78 0.00 2.67 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 26 T 8.73 4.03 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 1.20 0.00 0.00 27 G 7.78 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 28 A 7.60 4.61 1.33 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 0.00 0.00 0.00 29 D 9.02 4.37 0.00 2.62 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 30 D 7.96 5.28 0.00 2.55 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 31 T 8.07 4.63 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 1.25 0.00 0.00 32 V 8.64 4.84 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 0.74 0.00 0.00 0.98 0.00 0.00 33 L 8.96 4.91 0.00 1.55 1.58 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 34 E 9.54 4.53 0.00 1.85 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 2.52 2.49 0.00 35 E 8.49 3.84 0.00 1.96 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 2.38 2.26 0.00 36 M 8.15 4.48 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.65 0.00 37 S 8.37 4.61 0.00 3.60 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 38 L 7.97 4.60 0.00 0.27 0.88 0.37 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.66 0.00 2.20 2.03 0.00 3.56 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 1.92 1.92 0.00 40 G 8.67 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 41 R 8.42 4.44 0.00 1.79 1.82 0.00 3.24 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 42 W 7.35 5.60 0.00 2.76 1.80 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 43 K 8.49 4.48 0.00 1.66 1.60 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.26 7.81 44 P 0.00 5.06 0.00 2.15 2.23 0.00 3.59 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 45 K 8.74 4.71 0.00 1.85 1.70 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 46 M 8.64 5.36 0.00 2.01 1.89 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 2.57 2.40 0.00 47 I 9.47 4.92 1.90 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 1.36 0.82 0.98 0.00 0.00 48 G 8.62 3.73 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 0.00 0.00 0.00 49 G 7.96 4.11 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 0.00 0.00 0.00 50 I 8.17 3.74 1.83 0.00 0.00 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 1.30 0.53 0.88 0.00 0.00 51 G 8.52 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 0.00 0.00 0.00 52 G 6.33 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 53 F 8.56 5.38 0.00 2.89 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 54 I 9.75 4.85 1.91 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 1.10 1.08 0.93 0.00 0.00 *55 K 8.65 4.88 0.00 1.55 1.62 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.68 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.02 7.81 56 V 8.48 4.71 2.20 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 0.89 0.00 0.00 0.99 0.00 0.00 57 R 9.11 5.09 0.00 1.39 1.29 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.17 0.00 58 Q 9.82 4.97 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 59 Y 9.31 5.13 0.00 3.08 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 60 D 8.77 5.10 0.00 2.61 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 61 Q 8.40 3.52 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 62 I 8.14 4.58 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.13 0.87 0.00 0.00 63 L 8.48 5.06 0.00 1.63 1.56 0.99 0.97 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 64 I 8.89 4.79 1.87 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 1.09 0.89 0.95 0.00 0.00 65 E 9.03 4.84 0.00 2.05 1.82 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 2.33 2.28 0.00 66 I 9.24 4.52 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 1.23 0.68 0.91 0.00 0.00 67 C 9.56 4.19 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 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 0.00 0.00 0.00 69 H 8.38 4.53 0.00 3.34 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.54 4.75 0.00 1.65 1.74 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.44 7.81 71 A 8.97 4.77 1.20 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 72 I 9.18 4.92 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 1.29 0.73 0.93 0.00 0.00 73 G 7.77 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 74 T 7.71 4.87 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 1.32 0.00 0.00 75 V 9.29 4.63 2.15 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 0.99 0.00 0.00 1.01 0.00 0.00 76 L 9.05 5.19 0.00 1.73 1.62 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.76 4.71 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 0.91 0.00 0.00 0.88 0.00 0.00 78 G 7.70 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 P 0.00 4.67 0.00 2.19 2.10 0.00 3.90 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 80 T 7.30 4.37 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 1.36 0.00 0.00 81 P 0.00 4.52 0.00 2.21 2.14 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 82 V 7.14 4.54 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 0.86 0.00 0.00 0.92 0.00 0.00 83 N 8.83 4.58 0.00 2.85 2.79 0.00 0.00 6.93 7.32 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 84 I 8.54 4.73 1.87 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 1.22 1.13 0.93 0.00 0.00 85 I 9.22 4.45 1.95 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 1.16 1.07 0.91 0.00 0.00 86 G 8.55 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 0.00 0.00 0.00 0.00 87 R 8.73 4.05 0.00 1.90 2.00 0.00 3.15 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 88 N 7.59 4.52 0.00 2.67 2.98 0.00 0.00 6.95 7.67 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 89 L 7.79 4.42 0.00 1.71 1.74 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.08 4.03 0.00 1.68 1.72 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.51 3.87 4.25 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 1.28 0.00 0.00 92 Q 7.76 4.09 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.20 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 93 I 7.37 4.43 1.80 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 1.61 0.59 0.93 0.00 0.00 94 G 8.16 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 95 C 7.89 4.63 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.96 4.75 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 97 L 8.37 4.43 0.00 1.73 1.77 0.93 0.96 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 98 N 8.60 5.13 0.00 2.68 2.71 0.00 0.00 6.83 7.45 0.00 0.00 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 F 8.64 4.49 0.00 3.15 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 * Residues marked with a * may have inaccurate shift predictions.