NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9255 8.3549 109.7380 45.7200 0.0000 172.9463 0 S 4.5165 8.3479 115.6117 57.6241 65.2205 171.7413 1 M 5.1082 9.2598 122.2980 53.8345 35.1820 174.8861 2 K 4.9311 9.0504 120.8351 54.5289 36.9922 175.1158 3 K 4.6847 9.3626 125.8052 55.3927 33.8042 175.2777 4 V 4.6482 9.0639 128.6211 61.6446 33.2062 174.0794 5 E 5.2104 9.3779 128.2826 54.5168 32.2230 174.9186 6 A 4.9844 9.2114 126.0887 50.0898 22.4409 174.6881 7 I 4.8895 8.4923 124.1144 59.7277 39.1799 175.0335 8 I 5.0173 8.6304 120.3591 58.5603 41.8622 174.9664 9 R 4.2772 8.3666 120.7946 55.4458 30.7870 176.5164 10 P 4.2346 0.0000 0.0000 65.5449 31.5021 177.9946 11 E 4.2203 8.1164 113.7094 57.6263 29.9794 177.7422 12 K 4.3539 8.0617 119.2611 56.4445 32.4871 177.8138 13 L 3.9404 7.6480 121.7601 58.3529 42.0577 178.7045 14 E 3.9755 8.0929 117.8383 59.4397 29.4195 179.3292 15 I 3.7165 7.6457 119.3527 64.2930 37.2116 178.4553 16 V 3.5583 7.8641 119.0929 65.9318 31.3096 177.9765 17 K 3.9410 8.4169 119.7288 59.2952 31.9887 178.9250 18 K 3.9266 8.1682 118.5179 59.4894 32.1236 179.0032 19 A 4.0405 8.1475 121.0398 55.3004 18.1879 179.6896 20 L 4.0940 8.2217 117.4901 57.9857 41.6506 179.6396 21 S 4.1948 8.3150 113.1604 61.7108 62.1573 176.0433 22 D 4.3382 8.4409 120.2469 56.7560 40.5699 177.6204 23 A 4.4064 7.6582 118.5576 51.8825 18.9630 177.9015 24 G 3.5920 8.1588 106.6676 45.4438 0.0000 174.1361 25 Y 4.5222 7.5386 118.1474 56.6647 36.9597 175.2760 26 V 4.0211 8.1432 117.9381 61.7995 33.0788 176.8295 27 G 4.0320 8.2674 108.0237 44.3060 0.0000 172.3880 28 M 5.0807 8.2041 122.1604 53.5812 34.7672 174.3568 29 T 4.7053 8.9285 116.9174 61.7994 71.7398 173.3265 30 V 5.0260 8.4414 125.1549 61.1103 34.1912 174.5980 31 S 4.8410 9.0669 121.3327 56.5743 66.9056 172.5056 32 E 4.7070 8.7195 120.7547 55.8023 30.5217 175.8920 33 V 4.6639 8.6213 116.7568 59.6231 36.6709 174.1983 34 K 5.0388 8.6643 119.3867 54.9632 35.4255 176.3233 35 G 4.4795 9.1116 109.8388 44.5342 0.0000 171.3871 36 R 5.0726 8.5316 115.8466 54.2990 32.8089 175.2103 37 G 4.0261 8.4195 109.7921 43.8819 0.0000 173.8056 38 V 3.6580 8.6410 120.5631 65.9482 31.4949 176.6941 *39 Q 4.5463 8.0583 116.4665 54.2143 30.0840 175.9389 40 G 4.1118 8.6209 118.4970 43.5406 0.0000 174.6332 41 G 4.1297 7.7505 104.7925 44.3093 0.0000 172.8390 42 I 3.8961 7.9667 113.3731 60.6184 39.1866 175.0323 43 V 4.3942 8.2886 124.6761 61.5254 33.2772 174.0451 44 E 4.5169 7.9921 129.3078 54.4624 32.7402 174.2144 45 R 4.7737 8.0412 118.3554 55.0277 33.0831 174.3745 46 Y 4.7396 9.4096 125.7752 57.9483 39.6811 175.5673 47 R 4.1931 7.6878 118.0574 57.1639 32.5208 177.4621 48 G 4.0721 7.8449 101.9831 44.8360 0.0000 171.9237 49 R 4.7571 7.6600 117.6601 54.4281 34.2216 173.3762 50 E 5.3601 8.5415 118.1537 55.2253 31.7998 175.3235 51 Y 5.0045 8.2027 119.4960 55.5082 42.0730 173.7606 52 I 4.8237 8.5465 121.1312 59.6957 39.5713 175.1115 53 V 4.1869 7.9494 127.3754 61.5754 31.9098 175.1776 54 D 4.3987 9.0292 128.0855 57.0537 41.5088 175.7572 55 L 4.9468 7.7265 117.7467 53.2789 43.0472 175.8302 56 I 4.7138 8.4498 116.7381 58.0196 41.1263 173.1431 57 P 4.7727 0.0000 0.0000 63.5311 31.9425 175.5255 58 K 4.7698 9.2125 122.1510 54.8186 37.4641 174.9371 59 V 4.8259 8.6299 120.6515 61.1110 34.4208 173.9464 60 K 4.9092 9.0415 129.5477 55.1632 33.9327 174.7908 61 I 4.9048 8.8699 128.8672 59.6548 39.8414 174.4840 62 E 5.1818 9.2332 125.7717 54.4569 33.1003 174.6885 63 L 4.9161 9.0305 125.9518 53.2879 45.6927 174.8845 64 V 4.7496 8.5088 126.0737 61.6826 32.8005 175.0473 65 V 4.7180 8.7625 120.2522 59.0392 36.6679 175.2574 66 K 4.4172 8.6328 121.1368 56.4789 32.7945 177.8032 67 E 3.9079 9.1874 124.2777 59.7263 29.2163 179.3971 68 E 4.0737 8.2251 115.6425 58.9156 29.8553 177.7038 69 D 4.7472 8.2106 118.5682 54.3738 41.2249 178.3590 70 V 3.4994 7.6758 120.4187 66.1720 31.5100 177.3605 71 D 4.3304 8.0964 117.9963 57.4841 40.6744 178.3181 72 N 4.2782 8.0859 116.8328 56.6026 39.0458 176.7554 73 V 3.2853 7.6820 119.5910 66.0631 31.4930 178.0439 74 I 3.6327 7.8558 119.5310 64.3469 36.8468 178.0486 75 D 4.3367 8.2275 119.7799 57.5457 40.7384 178.9656 76 I 3.6941 7.8148 120.0411 64.4337 37.0555 178.5960 77 I 3.6447 7.8233 120.4836 64.5721 36.8517 178.2404 78 C 4.0521 8.1463 117.5496 62.8084 27.7599 175.7370 79 E 3.8982 8.1210 119.5725 59.2923 29.3440 178.0383 80 N 4.6108 8.0119 113.4315 54.1730 39.1474 176.2775 81 A 4.4330 7.9870 121.0636 51.6649 20.1181 177.4978 82 R 4.3321 7.1404 114.0565 56.0619 30.3647 176.5858 83 T 4.4077 8.9814 108.3785 60.7476 70.3543 175.2585 84 G 3.9494 8.7685 109.7732 45.0627 0.0000 172.8226 85 N 4.8905 7.8668 117.2854 50.5498 40.4034 172.7808 86 P 4.2441 0.0000 0.0000 64.8867 31.7796 176.6258 87 G 4.0552 8.8981 110.0368 45.5781 0.0000 174.1991 88 D 4.2808 7.3601 121.4375 56.1809 40.9367 174.9387 89 G 4.1796 7.6701 101.8510 44.4605 0.0000 172.4088 90 K 4.5736 8.1910 115.9796 54.5953 36.7569 175.6632 91 I 4.6258 7.9043 122.3461 59.4411 40.0262 174.9443 92 F 5.1426 9.0331 125.0524 55.6461 42.3842 174.2643 93 V 4.8748 8.5753 122.2530 61.2797 33.3403 174.6373 94 I 4.7435 8.7732 129.0879 58.4488 40.3295 173.3375 95 P 4.5937 0.0000 0.0000 62.9210 32.0301 175.6424 96 V 4.3743 8.0981 122.6135 61.4176 32.6995 175.2982 97 E 4.3049 9.0159 127.1139 57.8661 30.1979 176.5170 98 R 4.6030 7.5121 116.7913 54.8178 33.2503 173.6619 99 V 4.5059 8.3220 123.5971 61.0561 34.8044 174.0365 100 V 4.8849 8.2949 126.6497 60.9713 34.4561 174.5058 101 R 4.0943 8.7455 129.0329 55.8758 30.4064 177.0249 102 V 3.5822 8.7526 126.9460 66.1584 31.8473 177.0480 103 R 4.0567 8.1922 118.3655 58.9257 30.0146 176.9030 104 T 4.3501 7.7190 104.5313 60.4541 70.4451 174.7186 105 K 3.9618 8.6092 120.0695 57.1201 30.3669 175.6837 106 E 4.1575 8.0897 118.6415 56.6520 29.8417 175.8129 107 E 5.6261 7.4865 118.7677 54.0736 34.3671 177.6500 108 G 3.7906 8.4647 106.5752 46.4814 0.0000 175.9711 109 K 4.0305 8.5886 117.7473 59.4580 30.8426 178.6839 110 E 3.9790 8.2439 118.4590 59.3985 29.1850 178.9257 111 A 4.2330 7.8455 119.5557 54.5297 18.5540 179.2054 112 L 4.2969 7.4839 116.4002 56.0683 41.9177 177.4420 113 L 3.9419 6.8539 116.0509 55.4598 41.9945 177.1012 114 E 4.2837 8.7602 122.1418 56.4353 29.9735 175.9500 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 G 8.35 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 0 S 8.35 4.52 0.00 4.05 3.78 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 1 M 9.26 5.11 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 2 K 9.05 4.93 0.00 1.58 1.64 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.50 7.81 3 K 9.36 4.68 0.00 1.80 1.79 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.38 7.81 4 V 9.06 4.65 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 0.92 0.00 0.00 0.87 0.00 0.00 5 E 9.38 5.21 0.00 2.06 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 2.28 2.30 0.00 6 A 9.21 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.49 4.89 1.82 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 1.28 1.29 0.92 0.00 0.00 8 I 8.63 5.02 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 1.34 0.70 0.86 0.00 0.00 9 R 8.37 4.28 0.00 1.89 2.18 0.00 3.12 0.00 0.00 3.50 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 10 P 0.00 4.23 0.00 2.17 2.10 0.00 3.59 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 2.11 2.08 0.00 11 E 8.12 4.22 0.00 2.07 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 0.00 2.27 2.27 0.00 12 K 8.06 4.35 0.00 1.89 1.86 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.38 1.75 7.81 13 L 7.65 3.94 0.00 1.78 1.75 0.92 0.81 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 E 8.09 3.98 0.00 2.02 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 0.00 2.40 2.35 0.00 15 I 7.65 3.72 1.87 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 1.52 0.58 0.91 0.00 0.00 16 V 7.86 3.56 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 1.05 0.00 0.00 1.00 0.00 0.00 17 K 8.42 3.94 0.00 1.91 2.01 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 18 K 8.17 3.93 0.00 2.16 1.85 0.00 1.83 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.51 7.81 19 A 8.15 4.04 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 20 L 8.22 4.09 0.00 1.97 2.02 0.91 0.91 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 21 S 8.31 4.19 0.00 4.05 4.01 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 0.00 0.00 0.00 22 D 8.44 4.34 0.00 2.80 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 23 A 7.66 4.41 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 24 G 8.16 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.54 4.52 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.14 4.02 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 0.70 0.00 0.00 0.94 0.00 0.00 27 G 8.27 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 28 M 8.20 5.08 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 29 T 8.93 4.71 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 1.22 0.00 0.00 30 V 8.44 5.03 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 0.84 0.00 0.00 0.94 0.00 0.00 31 S 9.07 4.84 0.00 3.88 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 32 E 8.72 4.71 0.00 1.88 1.93 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 2.27 2.34 0.00 33 V 8.62 4.66 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 0.76 0.00 0.00 1.00 0.00 0.00 34 K 8.66 5.04 0.00 1.59 1.67 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.41 7.81 35 G 9.11 4.48 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 36 R 8.53 5.07 0.00 1.77 2.07 0.00 3.06 0.00 0.00 3.47 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 37 G 8.42 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 38 V 8.64 3.66 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 0.79 0.00 0.00 0.95 0.00 0.00 *39 Q 8.06 4.55 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 40 G 8.62 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 41 G 7.75 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.97 3.90 1.84 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 1.38 1.04 0.90 0.00 0.00 43 V 8.29 4.39 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 0.78 0.00 0.00 0.95 0.00 0.00 44 E 7.99 4.52 0.00 1.68 1.12 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 2.12 2.36 0.00 45 R 8.04 4.77 0.00 1.68 1.80 0.00 3.25 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 46 Y 9.41 4.74 0.00 2.97 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 47 R 7.69 4.19 0.00 1.36 1.64 0.00 2.91 0.00 0.00 2.91 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 48 G 7.84 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 0.00 0.00 0.00 49 R 7.66 4.76 0.00 1.95 1.84 0.00 3.15 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 50 E 8.54 5.36 0.00 1.84 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 2.30 2.27 0.00 51 Y 8.20 5.00 0.00 2.98 3.02 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 52 I 8.55 4.82 1.91 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 1.23 0.67 0.95 0.00 0.00 53 V 7.95 4.19 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 0.78 0.00 0.00 1.09 0.00 0.00 54 D 9.03 4.40 0.00 2.70 2.68 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 55 L 7.73 4.95 0.00 1.58 1.59 0.93 0.75 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 56 I 8.45 4.71 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 1.39 0.87 0.92 0.00 0.00 57 P 0.00 4.77 0.00 1.96 2.05 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 58 K 9.21 4.77 0.00 1.61 1.78 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.51 7.81 59 V 8.63 4.83 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 1.03 0.00 0.00 0.93 0.00 0.00 60 K 9.04 4.91 0.00 1.88 1.67 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.44 7.81 61 I 8.87 4.90 1.85 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 0.44 0.90 0.00 0.00 62 E 9.23 5.18 0.00 1.86 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 2.23 2.23 0.00 63 L 9.03 4.92 0.00 1.66 1.39 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.51 4.75 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 0.94 0.00 0.00 65 V 8.76 4.72 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 0.65 0.00 0.00 0.88 0.00 0.00 66 K 8.63 4.42 0.00 1.86 1.76 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.55 1.47 7.81 67 E 9.19 3.91 0.00 2.12 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 0.00 2.32 2.35 0.00 68 E 8.23 4.07 0.00 2.18 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 2.31 2.44 0.00 69 D 8.21 4.75 0.00 2.92 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 70 V 7.68 3.50 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 1.08 0.00 0.00 0.96 0.00 0.00 71 D 8.10 4.33 0.00 2.80 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 72 N 8.09 4.28 0.00 2.89 3.06 0.00 0.00 6.79 7.71 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 73 V 7.68 3.29 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 0.76 0.00 0.00 0.14 0.00 0.00 74 I 7.86 3.63 1.99 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 1.46 0.51 0.87 0.00 0.00 75 D 8.23 4.34 0.00 2.85 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 76 I 7.81 3.69 1.99 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 0.94 0.00 0.00 77 I 7.82 3.64 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.63 0.85 0.00 0.00 78 C 8.15 4.05 0.00 3.07 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 79 E 8.12 3.90 0.00 2.06 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 2.32 2.36 0.00 80 N 8.01 4.61 0.00 2.82 2.85 0.00 0.00 6.98 7.36 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 81 A 7.99 4.43 1.30 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 0.00 0.00 0.00 82 R 7.14 4.33 0.00 1.88 2.01 0.00 3.00 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.55 0.00 83 T 8.98 4.41 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 1.25 0.00 0.00 84 G 8.77 3.95 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 0.00 0.00 0.00 85 N 7.87 4.89 0.00 2.76 2.72 0.00 0.00 6.86 7.37 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 86 P 0.00 4.24 0.00 2.03 2.00 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 87 G 8.90 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 88 D 7.36 4.28 0.00 2.63 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 89 G 7.67 4.18 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 0.00 0.00 0.00 90 K 8.19 4.57 0.00 1.01 1.18 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.40 7.81 91 I 7.90 4.63 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.47 0.86 0.00 0.00 92 F 9.03 5.14 0.00 2.90 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 93 V 8.58 4.87 2.11 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 0.82 0.00 0.00 0.94 0.00 0.00 94 I 8.77 4.74 1.90 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 0.82 0.91 0.00 0.00 95 P 0.00 4.59 0.00 2.07 2.06 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 8.10 4.37 2.22 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 0.85 0.00 0.00 0.97 0.00 0.00 97 E 9.02 4.30 0.00 2.00 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 2.28 2.29 0.00 98 R 7.51 4.60 0.00 1.72 1.74 0.00 3.30 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 99 V 8.32 4.51 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 0.94 0.00 0.00 0.94 0.00 0.00 100 V 8.29 4.88 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 0.89 0.00 0.00 0.93 0.00 0.00 101 R 8.75 4.09 0.00 1.96 1.80 0.00 3.33 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 102 V 8.75 3.58 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 0.82 0.00 0.00 0.93 0.00 0.00 103 R 8.19 4.06 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.72 4.35 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 1.26 0.00 0.00 105 K 8.61 3.96 0.00 1.89 1.95 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.39 7.81 106 E 8.09 4.16 0.00 2.04 1.87 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 2.33 2.29 0.00 107 E 7.49 5.63 0.00 1.90 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 2.20 2.22 0.00 108 G 8.46 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.59 4.03 0.00 1.86 1.88 0.00 1.58 0.00 0.00 1.83 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.61 7.81 110 E 8.24 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 2.40 2.45 0.00 111 A 7.85 4.23 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.48 4.30 0.00 1.68 1.76 1.01 1.02 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 0.00 113 L 6.85 3.94 0.00 1.75 1.66 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.76 4.28 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.