NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3618 8.1744 117.3802 63.0109 70.0684 173.1332 3 K 4.1895 8.6299 127.5517 55.9691 33.8232 173.7508 4 K 5.0116 9.8411 126.5355 54.5619 35.6804 174.6004 5 V 4.6223 8.3942 125.1112 60.9081 34.1564 173.9437 6 L 4.7614 8.8933 131.3331 54.3192 43.5241 175.1223 7 I 4.5726 9.0467 128.5000 60.0492 39.1835 175.0576 8 V 4.4198 9.0061 128.7130 61.2357 32.5453 173.5634 9 E 5.0980 8.8906 128.5830 54.6910 32.5102 175.6814 10 D 4.4201 8.4609 127.6325 55.4903 40.3258 176.6516 11 N 4.5674 9.2461 120.0773 52.3732 39.8389 174.7457 12 E 3.9054 8.8519 128.6785 59.5663 29.7439 178.7755 13 L 3.8919 7.8582 118.1724 57.8848 41.7779 179.1152 14 N 3.8079 8.4078 116.4359 56.1568 38.3357 177.0013 15 M 4.0546 8.3115 119.9354 58.7886 32.2720 178.4818 16 K 3.9652 8.2084 118.7171 59.1857 32.1060 179.0549 17 L 3.8665 7.6093 120.4590 58.2012 42.0195 178.8316 18 F 4.3948 7.6638 117.5972 60.9965 38.8210 177.1208 19 H 4.2152 8.6142 117.6823 59.4976 29.7687 176.7599 20 D 4.3796 8.8305 120.8998 57.5312 40.4930 179.0688 21 L 4.0688 8.1048 118.0990 57.8884 42.1053 179.2983 22 L 4.3872 8.3283 118.9813 57.9042 41.5291 179.2210 23 E 4.3177 8.8036 120.6281 58.7201 29.3617 178.6761 24 A 4.0125 7.8535 119.5064 54.4244 18.4786 178.5318 25 Q 4.1369 7.5593 114.5084 55.7335 29.0711 176.7162 26 G 3.8309 7.9761 109.0114 45.1609 0.0000 173.2879 27 Y 4.8114 7.2361 117.0699 57.3830 39.8379 174.7332 28 E 4.7064 9.2326 122.3043 55.9574 31.6527 175.4311 29 T 5.2533 8.3294 110.4639 60.2284 72.5071 172.8854 30 L 5.0177 8.7376 121.4828 53.2456 45.8036 175.7097 31 Q 5.1229 8.4975 119.4305 54.8996 33.0714 174.2863 32 T 4.6285 8.6294 115.2282 61.5582 70.9553 174.2484 33 R 4.6933 8.7055 124.1020 55.8150 31.3438 176.6869 34 E 5.0478 7.8927 118.6790 54.0177 32.3940 176.9156 35 G 3.7377 8.9688 111.1278 48.0560 0.0000 175.6745 36 L 4.1224 7.9209 120.8428 57.7037 41.6531 179.6516 37 S 4.1365 8.0900 114.2362 61.0728 62.7707 176.2951 38 A 4.0123 7.7386 123.5322 55.0614 18.1009 179.6606 39 L 3.8984 7.6076 117.0861 57.9468 41.6871 179.7980 40 S 4.0351 7.9119 114.4521 61.8436 62.9106 176.6146 41 I 3.6847 8.1173 122.4641 64.4016 36.8168 178.3297 42 A 4.0269 8.1298 121.5312 55.3413 17.9802 179.9295 43 R 3.9522 7.6378 115.0674 58.9799 30.2258 178.5047 44 E 4.1075 8.1094 118.6353 58.4290 29.8590 177.4913 45 N 4.8724 8.6784 115.9365 51.9421 41.0245 175.6950 46 K 3.8608 7.7884 118.6570 54.9311 28.8877 178.0143 47 P 4.6274 0.0000 0.0000 62.3494 32.6499 177.0622 48 D 4.6285 8.7918 118.6543 55.9471 41.6061 176.7505 49 L 4.6513 7.5355 118.8005 53.7410 45.9489 173.8501 50 I 4.8293 8.5955 125.4879 59.4334 40.3900 174.2753 51 L 4.7769 9.0699 130.5353 54.0326 43.3299 174.6862 52 M 4.8209 9.0439 128.2535 53.6525 34.1309 174.2834 53 D 4.9424 8.7309 127.4351 54.2708 41.4621 176.2327 54 I 3.9348 8.7435 127.9159 63.3841 38.3925 177.0267 55 Q 4.3670 7.8450 120.6676 55.5489 28.7444 176.1331 56 L 4.2670 7.6401 117.3818 53.9531 42.7763 176.3178 57 P 4.4168 0.0000 0.0000 65.6043 31.5523 177.5079 58 E 4.2223 8.0807 115.3323 57.7902 30.2855 175.9209 59 I 4.3767 7.1399 116.7976 59.4921 41.0967 173.4370 60 S 4.2531 8.6001 120.4995 57.8738 62.8799 175.4227 61 G 3.7329 8.8112 115.2888 47.8069 0.0000 175.6269 62 L 4.0761 7.7623 121.3519 57.7387 41.6989 179.3186 63 E 3.9102 8.0292 118.4097 59.0876 29.3503 179.4628 64 V 3.9778 7.6790 118.0886 66.3099 31.7151 178.0853 65 T 4.0183 8.2323 118.1372 67.0752 67.9987 177.4813 66 K 4.0824 7.6456 124.6182 59.4190 32.0973 181.7488 67 W 4.7366 8.1514 119.4065 59.6366 29.0532 178.5589 68 L 4.0519 8.2535 118.9847 57.9461 40.9977 179.6728 69 K 4.2189 8.0564 115.7087 58.3145 32.0673 178.2945 70 E 4.5045 7.8485 117.3025 55.9253 30.0422 175.3847 71 D 4.7004 7.5528 119.8794 52.6471 41.4997 176.5379 72 D 4.3727 8.8527 127.5380 57.2028 40.9382 177.2062 73 D 4.6498 8.5149 116.7514 54.7305 41.7878 176.4204 74 L 4.6012 7.6600 116.2823 54.9285 43.9870 177.9930 75 A 4.0605 8.2983 121.9775 55.3121 18.2914 178.4340 76 H 4.4076 8.1187 109.5415 57.5783 29.1822 175.5294 77 I 3.8996 7.2696 122.6165 60.1556 37.3375 174.4216 78 P 4.4670 0.0000 0.0000 63.0311 32.7081 175.2435 79 V 4.7191 8.6943 121.8967 61.1507 34.5982 173.8595 80 V 4.7705 8.7976 128.5164 61.1575 33.3527 174.3671 81 A 4.8010 8.9937 130.8722 51.3584 20.4901 176.1070 82 V 4.7333 9.1047 122.7953 61.3254 33.7723 175.3315 83 T 4.4713 9.0361 118.8829 62.0963 70.4335 177.5657 *97 G 3.7685 9.4278 110.0412 44.4901 0.0000 173.4147 98 G 3.9739 8.4254 107.6147 45.1443 0.0000 173.3378 99 C 4.5182 7.5328 117.3255 59.2459 29.0127 173.5543 100 E 4.3141 8.7192 123.2023 58.4494 29.8868 176.0267 101 A 4.5728 7.7031 121.9404 52.2445 22.7131 174.9625 *102 Y 5.3842 8.2482 118.2769 56.1882 41.3577 173.9035 103 I 4.8138 8.8631 112.3663 60.1572 41.0417 174.5385 104 S 6.0180 8.8936 122.1619 56.9857 66.1516 173.4000 105 K 4.9878 8.3551 124.1277 52.3439 34.7082 174.9844 106 P 4.2387 0.0000 0.0000 62.7171 31.4935 176.3227 107 I 4.0094 8.2317 123.1649 60.7729 37.8102 175.7814 108 S 4.5973 8.6412 119.4276 56.8159 63.4858 174.4019 109 V 3.7145 8.4942 129.0720 66.3641 31.3478 177.7709 110 V 3.6149 7.8701 117.0850 66.4351 31.4103 177.1741 111 H 4.2100 8.3459 117.3196 59.2266 29.7422 176.5964 112 F 4.1078 8.9786 122.6049 61.5337 39.2316 177.1274 113 L 3.7849 8.6365 118.8734 57.5262 41.3245 179.2179 114 E 3.8783 8.6628 119.6774 59.5714 29.3170 178.9081 115 T 3.7698 7.6740 115.6954 66.6877 68.4262 176.6876 116 I 3.5227 7.1979 120.9186 64.3123 37.1029 178.6049 117 K 3.9671 8.1273 119.5113 59.5416 31.6344 179.2180 118 R 3.8669 8.0996 118.3840 59.2697 29.9820 177.9256 119 L 4.2600 7.2674 117.0370 56.4498 42.0589 178.7443 120 L 4.1191 7.9564 118.6446 57.1608 41.9840 176.7135 121 E 4.2192 8.4886 121.7031 56.5176 29.5551 176.1882 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 2 T 8.17 4.36 4.51 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 1.30 0.00 0.00 3 K 8.63 4.19 0.00 2.18 1.48 0.00 1.55 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.46 7.81 4 K 9.84 5.01 0.00 1.64 1.65 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.35 7.81 5 V 8.39 4.62 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 0.91 0.00 0.00 0.61 0.00 0.00 6 L 8.89 4.76 0.00 1.78 1.51 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 7 I 9.05 4.57 1.97 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.92 1.11 0.00 0.00 8 V 9.01 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 0.98 0.00 0.00 0.95 0.00 0.00 9 E 8.89 5.10 0.00 2.33 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 2.33 2.47 0.00 10 D 8.46 4.42 0.00 2.97 2.81 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 11 N 9.25 4.57 0.00 2.72 2.94 0.00 0.00 6.67 8.22 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 12 E 8.85 3.91 0.00 2.05 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 2.35 2.40 0.00 13 L 7.86 3.89 0.00 1.90 1.60 0.88 0.67 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 14 N 8.41 3.81 0.00 2.85 2.38 0.00 0.00 6.70 7.21 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 15 M 8.31 4.05 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 16 K 8.21 3.97 0.00 1.77 1.82 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.54 7.81 17 L 7.61 3.87 0.00 1.57 1.36 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 18 F 7.66 4.39 0.00 3.28 3.08 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 0.00 0.00 0.00 0.00 19 H 8.61 4.22 0.00 3.29 3.61 0.00 5.60 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 20 D 8.83 4.38 0.00 2.92 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 21 L 8.10 4.07 0.00 1.89 1.99 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.33 4.39 0.00 1.90 1.96 1.06 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.80 4.32 0.00 1.94 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 2.29 2.18 0.00 24 A 7.85 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.56 4.14 0.00 1.77 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.58 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 26 G 7.98 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 27 Y 7.24 4.81 0.00 3.12 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.23 4.71 0.00 2.07 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 2.32 2.30 0.00 29 T 8.33 5.25 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 1.30 0.00 0.00 30 L 8.74 5.02 0.00 1.60 1.56 0.92 0.99 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 31 Q 8.50 5.12 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 32 T 8.63 4.63 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 1.31 0.00 0.00 33 R 8.71 4.69 0.00 1.85 1.97 0.00 3.27 0.00 0.00 3.89 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 34 E 7.89 5.05 0.00 2.03 1.84 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 2.23 2.29 0.00 35 G 8.97 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 36 L 7.92 4.12 0.00 1.70 1.67 0.95 0.89 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 37 S 8.09 4.14 0.00 4.00 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 38 A 7.74 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 3.90 0.00 1.70 1.57 0.61 0.67 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 40 S 7.91 4.04 0.00 3.96 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 41 I 8.12 3.68 1.92 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 1.45 0.62 0.91 0.00 0.00 42 A 8.13 4.03 1.39 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 0.00 0.00 43 R 7.64 3.95 0.00 1.89 1.98 0.00 3.11 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 44 E 8.11 4.11 0.00 1.94 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 0.00 2.31 2.38 0.00 45 N 8.68 4.87 0.00 2.72 2.82 0.00 0.00 7.14 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 46 K 7.79 3.86 0.00 1.88 1.64 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.23 7.81 47 P 0.00 4.63 0.00 2.29 2.06 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 48 D 8.79 4.63 0.00 2.53 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.54 4.65 0.00 1.53 1.27 0.76 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.60 4.83 1.84 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 1.08 0.56 0.90 0.00 0.00 51 L 9.07 4.78 0.00 1.63 1.50 0.87 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 52 M 9.04 4.82 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 53 D 8.73 4.94 0.00 2.97 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 54 I 8.74 3.93 1.89 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 1.24 0.26 0.92 0.00 0.00 55 Q 7.84 4.37 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 56 L 7.64 4.27 0.00 1.94 1.83 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.42 0.00 2.19 2.19 0.00 3.78 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 2.00 1.96 0.00 58 E 8.08 4.22 0.00 2.12 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 0.00 2.30 2.26 0.00 59 I 7.14 4.38 1.94 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.61 0.98 0.00 0.00 60 S 8.60 4.25 0.00 3.88 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 0.00 61 G 8.81 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 62 L 7.76 4.08 0.00 1.68 1.70 0.92 1.00 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 63 E 8.03 3.91 0.00 2.10 1.69 0.00 0.00 0.00 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 2.23 0.00 64 V 7.68 3.98 2.31 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 1.26 0.00 0.00 1.12 0.00 0.00 65 T 8.23 4.02 4.41 0.00 0.00 0.00 0.00 0.00 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 66 K 7.65 4.08 0.00 1.86 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 67 W 8.15 4.74 0.00 3.65 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 68 L 8.25 4.05 0.00 1.97 1.74 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.06 4.22 0.00 1.76 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.73 1.63 7.81 70 E 7.85 4.50 0.00 2.34 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 2.34 2.42 0.00 71 D 7.55 4.70 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.85 4.37 0.00 2.72 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.65 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 4.60 0.00 1.89 1.62 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.30 4.06 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 76 H 8.12 4.41 0.00 3.25 3.45 0.00 5.73 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.27 3.90 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.15 0.88 0.00 0.00 78 P 0.00 4.47 0.00 2.04 2.13 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.90 0.00 79 V 8.69 4.72 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 0.96 0.00 0.00 0.98 0.00 0.00 80 V 8.80 4.77 1.98 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 0.66 0.00 0.00 0.82 0.00 0.00 81 A 8.99 4.80 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 82 V 9.10 4.73 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 1.19 0.00 0.00 0.85 0.00 0.00 83 T 9.04 4.47 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 1.23 0.00 0.00 *97 G 9.43 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 98 G 8.43 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 C 7.53 4.52 0.00 2.97 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 0.00 100 E 8.72 4.31 0.00 1.81 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 0.00 2.31 2.29 0.00 101 A 7.70 4.57 1.16 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 0.00 0.00 0.00 *102 Y 8.25 5.38 0.00 2.05 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 0.00 0.00 0.00 103 I 8.86 4.81 2.02 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.59 0.95 0.00 0.00 104 S 8.89 6.02 0.00 3.82 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 0.00 105 K 8.36 4.99 0.00 1.50 1.54 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 0.96 7.81 106 P 0.00 4.24 0.00 2.17 2.11 0.00 3.75 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 2.00 2.01 0.00 107 I 8.23 4.01 1.85 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.27 0.96 0.00 0.00 108 S 8.64 4.60 0.00 3.94 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 0.00 109 V 8.49 3.71 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 0.97 0.00 0.00 110 V 7.87 3.61 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 0.96 0.00 0.00 0.98 0.00 0.00 111 H 8.35 4.21 0.00 3.33 3.54 0.00 5.93 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.98 4.11 0.00 3.21 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 0.00 113 L 8.64 3.78 0.00 1.74 1.73 1.02 0.99 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 0.00 114 E 8.66 3.88 0.00 2.04 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 0.00 2.29 2.35 0.00 115 T 7.67 3.77 4.17 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 1.10 0.00 0.00 116 I 7.20 3.52 1.51 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.19 0.62 0.00 0.00 117 K 8.13 3.97 0.00 1.98 1.89 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.67 7.81 118 R 8.10 3.87 0.00 1.92 2.11 0.00 3.22 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 119 L 7.27 4.26 0.00 1.65 1.63 0.84 0.86 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 0.00 120 L 7.96 4.12 0.00 1.52 1.58 0.17 0.60 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 0.00 121 E 8.49 4.22 0.00 2.00 1.88 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 2.51 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.