NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 4.5714 8.1976 108.0230 46.3191 0.0000 172.3796 10 K 5.1324 8.3551 118.9459 54.3430 36.5998 172.6852 11 L 5.3896 9.0935 124.1351 53.6618 44.9505 176.5383 12 T 5.0741 9.4017 115.4858 60.4697 72.9193 172.2808 13 T 4.6727 8.0119 115.5624 60.2269 71.5937 172.0634 14 H 4.6139 8.2624 118.4585 55.5824 33.1088 172.2224 15 I 4.6626 8.9959 128.5490 59.4773 39.4488 174.2622 16 L 5.0378 8.3584 129.7044 53.1339 44.5290 174.6485 17 D 4.7087 9.1900 127.3832 53.7128 41.4743 176.9404 18 L 4.0938 9.0787 128.1802 58.0388 41.9730 178.6850 19 T 4.0912 8.0549 108.2695 64.4611 68.3218 174.3670 20 C 4.8276 8.1406 114.1744 56.6784 30.3244 173.8436 21 G 4.6649 7.9256 105.9137 47.1825 0.0000 173.5260 22 K 4.8233 7.3289 115.8570 53.0910 36.4927 174.2927 23 P 4.7586 0.0000 0.0000 62.4869 32.1803 176.2859 24 A 4.2002 9.6885 127.5339 51.9514 19.1966 175.9925 25 A 5.4922 8.8121 124.5661 50.0720 20.9372 176.2560 26 N 4.2533 9.1285 120.0963 54.3025 36.1351 174.7795 27 V 4.3800 8.6796 119.2705 61.1428 34.2438 175.2783 28 K 3.9978 8.5749 129.4875 55.9180 33.3674 175.2068 29 I 4.4270 9.0804 130.5985 59.4654 39.2319 174.9712 30 G 4.1544 8.9629 116.1156 44.7833 0.0000 172.3841 31 L 5.1927 8.5240 125.7428 53.0158 45.8568 175.2153 32 K 4.4388 8.3055 120.9071 56.0483 36.5089 174.5031 33 R 4.1883 8.4061 121.3087 55.5483 31.3416 175.7698 34 L 3.4706 7.7566 124.4158 56.9581 41.8999 176.0184 35 G 4.1236 8.4917 122.4874 45.1884 0.0000 173.9913 36 E 3.9894 7.4417 118.8410 55.7508 30.3297 176.9911 37 S 4.6203 8.1037 114.0957 56.5368 64.8064 173.5780 38 I 3.9761 7.9170 121.7663 60.0923 37.8608 174.9541 *40 K 4.1061 8.2337 121.2221 56.4510 33.5423 173.9186 41 E 4.9428 8.6647 126.3428 54.6886 32.1889 174.6485 42 V 4.7982 8.7469 119.1612 59.9513 36.7155 173.8646 43 Y 5.3064 8.6155 118.5546 56.2927 41.0576 176.0305 44 T 4.4761 8.9422 114.0541 61.7252 70.6176 174.9323 45 N 4.7315 9.2505 122.2175 52.1698 39.3247 175.1796 46 N 4.4411 8.6157 114.2670 56.1740 37.4741 175.3630 47 D 4.5773 9.6666 118.7652 53.6440 41.2062 176.7537 48 G 4.2710 8.1749 104.6297 46.6687 0.0000 173.5938 49 R 4.6652 7.4364 117.4827 53.9638 33.4178 174.2318 50 V 4.4862 8.0450 117.9207 61.6858 32.7249 175.1775 51 D 4.3211 8.6824 126.8292 57.9611 41.0534 177.4041 52 V 3.8511 7.5231 118.6205 61.4345 32.1282 174.1751 53 P 4.3458 0.0000 0.0000 62.6731 32.0296 176.3649 54 L 4.1613 8.4183 121.1696 57.5299 41.9719 177.8251 55 L 5.2804 7.6256 115.0569 53.3261 45.8502 174.4371 56 A 5.3655 8.2412 121.6530 52.9871 23.2232 180.3775 57 G 3.8397 8.4711 109.4661 46.8709 0.0000 176.0609 58 E 4.1472 8.9895 127.4658 58.5332 29.9605 178.0585 59 E 3.9876 8.2933 119.7741 58.3531 29.7919 176.5074 60 L 4.5169 7.0779 118.5396 53.5752 43.4639 175.3332 *62 S 4.3470 8.3142 115.5188 56.7096 63.1645 173.5655 63 G 3.9295 7.7558 116.0427 44.8979 0.0000 170.4062 64 E 4.5917 7.5218 118.8210 55.9813 30.9030 175.9092 65 Y 4.9765 8.8009 120.7535 56.5292 43.4492 173.7764 66 V 5.2661 8.6388 119.2205 61.3941 36.0807 172.8493 *68 E 4.4417 8.5574 119.3888 56.1980 31.1857 175.0878 69 F 4.8820 9.0017 123.4222 55.4988 41.2980 176.5629 70 H 4.6701 8.6643 125.4319 54.4166 25.6416 176.1491 71 A 3.8853 7.8334 126.4054 55.4281 18.8170 179.2887 72 G 3.9072 8.4871 104.3666 48.3005 0.0000 175.5882 73 D 4.3599 8.2104 120.6288 57.4862 40.8500 177.6073 74 Y 4.0689 8.0677 117.7637 61.3162 38.9187 177.8301 75 F 4.5755 8.6476 118.2124 60.6989 39.1270 177.6886 76 A 4.0737 8.0979 120.1058 55.1692 17.9920 179.7779 77 S 4.2687 8.7098 112.2567 60.7058 62.8630 175.9439 78 K 4.5340 7.4300 119.3362 54.0981 32.7370 175.3469 79 N 3.9395 8.2682 116.5066 54.0393 35.8527 173.4697 *81 N 4.5120 8.2130 119.1067 51.2621 40.6871 176.1620 82 A 3.7844 8.2889 116.3224 52.7603 17.1474 176.3369 83 A 4.7228 7.8885 116.3772 50.9460 22.3371 176.6787 84 D 4.5158 8.7295 120.1118 56.2551 41.6693 177.0360 85 Q 4.5194 7.6509 119.3638 52.7548 28.5069 171.8320 86 P 4.2548 0.0000 0.0000 62.7149 31.9481 177.1237 87 F 4.0155 8.9113 126.5550 60.3160 39.5189 175.1847 88 L 4.7078 7.7111 120.7006 53.2123 44.3204 174.1128 89 T 4.6224 7.5756 111.3235 61.2181 71.6409 172.7752 90 I 4.6035 7.7675 132.5486 58.9279 38.8188 175.7211 91 V 3.8902 8.9949 129.8896 62.2789 32.2322 174.6969 92 T 4.8444 8.4330 118.8242 60.0868 70.8690 174.2198 93 V 4.4600 8.4542 124.6083 61.2480 34.3564 173.6284 94 R 5.1874 8.8162 129.0541 55.0785 31.3668 175.1286 95 F 5.0554 8.7809 120.1572 55.8441 41.9830 172.4893 96 Q 4.8358 8.7137 120.8124 54.3635 31.1197 174.6143 97 L 3.7105 9.0091 127.3792 53.5150 42.1698 176.7469 98 A 4.1269 8.9417 129.4171 54.2364 19.0527 176.3304 99 D 4.5708 8.5138 119.4274 52.7625 41.5385 175.5180 100 P 4.6143 0.0000 0.0000 64.4517 31.6001 176.5648 101 D 4.9940 8.3245 118.5458 54.0609 41.6748 174.8843 102 A 4.7185 7.8974 119.7061 50.3714 23.2741 175.1569 103 H 5.1758 8.3097 115.0619 54.4814 31.1347 173.9204 104 Y 4.6398 9.1566 122.0309 56.5989 40.4134 174.1665 105 H 5.3090 8.7483 124.7836 53.6698 32.0907 173.0489 106 I 4.5865 8.5319 127.1368 57.7820 38.8098 173.1739 107 P 4.3766 0.0000 0.0000 62.0331 33.0050 175.4803 108 L 4.7416 8.7298 124.8510 53.2654 45.0371 175.3687 109 L 4.5342 9.1813 128.4883 53.9165 42.7603 175.6433 110 L 5.0997 8.5374 126.7719 53.4369 44.8245 175.0863 111 S 4.9546 8.9825 118.6860 56.3071 65.7639 173.1743 112 P 3.8177 0.0000 0.0000 64.7294 30.9724 177.2515 113 F 4.6460 7.9036 114.7744 56.1655 39.6138 175.4071 114 G 4.0567 7.4084 109.8414 46.7557 0.0000 170.6120 115 Y 5.1756 7.4009 115.9337 56.6576 40.7486 173.5076 116 Q 4.6052 9.2553 120.6604 54.7674 32.5196 173.8496 117 V 5.1599 8.5772 118.5065 59.0278 35.1381 174.1121 118 Y 4.7616 7.5728 118.5196 56.2280 40.8948 172.9812 119 R 4.2444 8.8321 121.4875 55.7749 31.0864 176.2160 120 G 3.9308 9.2173 114.9134 46.1385 0.0000 173.7801 121 S 4.5008 8.7380 117.9000 58.4118 63.4244 173.9846 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 9 G 8.20 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 5.13 0.00 2.01 1.93 0.00 1.48 0.00 0.00 1.82 0.00 0.00 2.61 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.68 1.62 7.81 11 L 9.09 5.39 0.00 1.73 1.51 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 12 T 9.40 5.07 4.34 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 1.24 0.00 0.00 13 T 8.01 4.67 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 1.26 0.00 0.00 14 H 8.26 4.61 0.00 3.27 3.02 0.00 5.69 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 9.00 4.66 1.69 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 0.81 0.74 0.55 0.00 0.00 16 L 8.36 5.04 0.00 1.84 1.53 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17 D 9.19 4.71 0.00 2.81 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 18 L 9.08 4.09 0.00 1.95 1.78 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.05 4.09 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 1.17 0.00 0.00 20 C 8.14 4.83 0.00 3.12 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 21 G 7.93 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.33 4.82 0.00 1.81 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.74 7.81 23 P 0.00 4.76 0.00 2.17 2.09 0.00 3.71 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 2.05 2.14 0.00 24 A 9.69 4.20 0.72 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 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.81 5.49 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 26 N 9.13 4.25 0.00 2.94 3.05 0.00 0.00 6.88 6.36 0.00 0.00 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 8.68 4.38 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 0.94 0.00 0.00 0.73 0.00 0.00 28 K 8.57 4.00 0.00 1.51 1.39 0.00 1.36 0.00 0.00 1.04 0.00 0.00 2.63 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.99 0.50 7.81 29 I 9.08 4.43 1.67 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 0.83 0.65 0.42 0.00 0.00 30 G 8.96 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 0.00 0.00 0.00 0.00 31 L 8.52 5.19 0.00 1.62 1.40 0.92 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.31 4.44 0.00 1.88 1.89 0.00 1.22 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.21 1.48 7.81 33 R 8.41 4.19 0.00 1.66 1.54 0.00 3.38 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.73 0.00 34 L 7.76 3.47 0.00 1.44 1.48 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.49 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.44 3.99 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 2.32 2.22 0.00 37 S 8.10 4.62 0.00 3.95 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 38 I 7.92 3.98 1.85 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 1.24 1.23 0.92 0.00 0.00 *40 K 8.23 4.11 0.00 1.85 1.68 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.43 7.81 41 E 8.66 4.94 0.00 1.91 1.73 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 1.95 2.16 0.00 42 V 8.75 4.80 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 0.76 0.00 0.00 0.88 0.00 0.00 43 Y 8.62 5.31 0.00 2.67 2.85 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 0.00 0.00 0.00 44 T 8.94 4.48 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 1.29 0.00 0.00 45 N 9.25 4.73 0.00 2.94 3.05 0.00 0.00 6.88 7.42 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 46 N 8.62 4.44 0.00 2.75 2.94 0.00 0.00 6.70 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 47 D 9.67 4.58 0.00 2.65 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 48 G 8.17 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 0.00 0.00 0.00 0.00 49 R 7.44 4.67 0.00 1.80 1.85 0.00 3.17 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 50 V 8.04 4.49 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 0.92 0.00 0.00 0.94 0.00 0.00 51 D 8.68 4.32 0.00 2.71 2.71 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 52 V 7.52 3.85 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 0.80 0.00 0.00 0.94 0.00 0.00 53 P 0.00 4.35 0.00 2.08 2.03 0.00 3.74 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 2.05 2.16 0.00 54 L 8.42 4.16 0.00 1.76 1.67 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.63 5.28 0.00 1.56 1.43 0.36 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.24 5.37 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 57 G 8.47 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 58 E 8.99 4.15 0.00 2.06 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 2.41 2.30 0.00 59 E 8.29 3.99 0.00 2.03 2.25 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 2.32 2.28 0.00 60 L 7.08 4.52 0.00 1.77 1.60 1.04 1.05 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 *62 S 8.31 4.35 0.00 4.00 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 0.00 63 G 7.76 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 64 E 7.52 4.59 0.00 1.74 1.70 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 2.28 2.22 0.00 65 Y 8.80 4.98 0.00 1.70 2.38 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 66 V 8.64 5.27 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 1.39 0.00 0.00 0.89 0.00 0.00 *68 E 8.56 4.44 0.00 1.86 1.77 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 2.24 2.27 0.00 69 F 9.00 4.88 0.00 2.87 2.80 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 70 H 8.66 4.67 0.00 3.08 3.25 0.00 5.64 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 71 A 7.83 3.89 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 72 G 8.49 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 73 D 8.21 4.36 0.00 2.93 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 Y 8.07 4.07 0.00 2.81 2.77 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 75 F 8.65 4.58 0.00 3.15 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 76 A 8.10 4.07 1.44 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 0.00 0.00 77 S 8.71 4.27 0.00 3.93 4.10 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 78 K 7.43 4.53 0.00 1.76 1.80 0.00 1.50 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 1.22 0.99 7.81 79 N 8.27 3.94 0.00 2.78 2.84 0.00 0.00 6.87 8.01 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 *81 N 8.21 4.51 0.00 2.81 3.13 0.00 0.00 6.94 7.56 0.00 0.00 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 A 8.29 3.78 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 83 A 7.89 4.72 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 84 D 8.73 4.52 0.00 2.71 2.77 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 85 Q 7.65 4.52 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 86 P 0.00 4.25 0.00 2.39 2.24 0.00 3.73 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 2.18 2.36 0.00 87 F 8.91 4.02 0.00 3.10 3.21 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 88 L 7.71 4.71 0.00 1.97 1.63 0.88 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.58 4.62 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 1.26 0.00 0.00 90 I 7.77 4.60 1.79 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.74 0.78 0.00 0.00 91 V 8.99 3.89 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 -0.14 0.00 0.00 0.67 0.00 0.00 92 T 8.43 4.84 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 1.19 0.00 0.00 93 V 8.45 4.46 2.28 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 1.07 0.00 0.00 1.09 0.00 0.00 94 R 8.82 5.19 0.00 1.90 1.88 0.00 3.29 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 95 F 8.78 5.06 0.00 3.13 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 96 Q 8.71 4.84 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 97 L 9.01 3.71 0.00 1.62 1.28 0.72 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.94 4.13 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 99 D 8.51 4.57 0.00 2.73 2.72 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 0.00 0.00 0.00 0.00 100 P 0.00 4.61 0.00 2.13 2.29 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 101 D 8.32 4.99 0.00 2.75 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 0.00 102 A 7.90 4.72 0.96 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 0.00 103 H 8.31 5.18 0.00 2.94 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 9.16 4.64 0.00 2.86 2.84 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 0.00 105 H 8.75 5.31 0.00 3.22 3.15 0.00 5.84 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.53 4.59 1.62 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.49 0.68 0.00 0.00 107 P 0.00 4.38 0.00 1.42 1.75 0.00 2.72 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.76 0.00 108 L 8.73 4.74 0.00 1.22 1.07 0.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 109 L 9.18 4.53 0.00 1.75 1.65 0.97 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.54 5.10 0.00 1.56 1.34 0.96 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.98 4.95 0.00 3.98 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 0.00 112 P 0.00 3.82 0.00 0.49 1.18 0.00 3.09 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.44 0.00 113 F 7.90 4.65 0.00 2.98 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 0.00 114 G 7.41 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 0.00 0.00 0.00 115 Y 7.40 5.18 0.00 3.04 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 0.00 116 Q 9.26 4.61 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 117 V 8.58 5.16 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 0.98 0.00 0.00 1.09 0.00 0.00 118 Y 7.57 4.76 0.00 2.97 2.99 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 0.00 0.00 0.00 119 R 8.83 4.24 0.00 1.95 1.98 0.00 3.52 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 120 G 9.22 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 0.00 121 S 8.74 4.50 0.00 4.02 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 * Residues marked with a * may have inaccurate shift predictions.