NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4212 8.3049 118.1899 55.4174 33.6726 175.2199 2 T 3.7300 7.7399 116.8167 61.9696 69.5966 172.9484 3 N 4.6623 8.6021 124.8525 53.3219 41.5903 173.3979 4 R 4.7078 8.4320 127.2431 55.2436 33.0800 173.4398 5 L 4.6512 9.4707 129.9095 53.2752 44.3870 174.9050 6 V 4.7392 8.3826 126.3830 61.1558 33.2624 174.5673 7 L 4.6503 8.7908 129.6338 53.7570 45.2849 175.2323 8 S 5.1119 8.6355 122.1026 57.6846 65.3158 173.9435 9 G 4.0101 8.0577 106.9335 46.9627 0.0000 171.3854 10 T 5.2280 7.9250 116.4488 61.3778 71.2947 174.6529 11 V 4.2305 8.7562 127.3329 63.6547 31.9487 175.8819 12 C 4.7007 9.0439 122.9643 58.6596 31.0298 174.1095 13 R 4.7458 7.7904 118.6713 54.1500 33.7890 174.5426 14 A 4.2106 8.7798 125.6638 51.0808 19.4511 175.2899 15 P 4.5207 0.0000 0.0000 63.2701 32.2068 175.5091 16 L 4.5170 9.5466 127.9778 53.9503 43.4228 175.2754 17 R 5.3005 8.5875 125.3251 54.6069 32.5390 175.4615 18 K 4.7231 8.8354 120.5195 55.6896 36.6326 174.7377 19 V 4.9754 8.1491 120.5596 60.8102 34.0257 175.5859 20 S 4.4004 9.3945 122.4783 57.4243 63.6799 173.2931 21 P 4.1820 0.0000 0.0000 65.9555 31.0721 177.5689 22 S 4.3097 7.9593 109.4652 58.7284 63.3438 174.5982 23 G 3.9979 8.3908 110.0797 45.2307 0.0000 173.2883 24 I 4.1855 7.8470 122.1347 59.3158 38.4530 173.5449 25 P 4.8302 0.0000 0.0000 62.9383 32.9377 174.9360 26 H 5.3554 9.5100 120.0874 54.0911 32.6824 171.9308 27 C 5.1951 9.4342 122.8763 57.6433 34.6490 172.4666 28 Q 5.1419 8.9841 124.7746 54.1557 32.0242 174.6478 29 F 5.0625 8.2597 117.3707 55.7371 42.5472 172.8550 30 V 4.7218 8.5737 118.0501 60.9849 34.3307 173.7507 31 L 4.9581 9.1582 130.2944 53.3542 44.3703 174.3708 32 E 4.6952 9.1331 128.4168 55.0978 31.1533 173.8159 33 H 5.1079 9.0479 128.6818 54.8123 31.7311 174.0157 34 R 5.2839 8.1322 121.3746 54.8744 32.4429 174.1084 35 S 4.6692 8.9660 116.6036 57.7189 67.2272 172.9990 36 V 4.7113 8.2891 119.6008 60.2808 32.6988 175.3422 37 Q 4.7534 9.1848 124.1695 53.8840 32.5602 173.7733 38 E 5.0007 8.5485 120.8426 54.4899 31.9137 175.1038 39 A 4.3270 8.2109 127.2697 52.1588 22.4347 175.5946 40 A 3.7901 9.8687 123.1572 52.8968 16.4031 177.6698 41 G 4.0031 8.7318 103.7526 46.6138 0.0000 173.8426 42 F 4.9530 7.7882 113.7248 54.6466 40.7931 173.7713 43 H 4.9830 8.7578 120.8296 56.0262 29.5088 174.9555 44 R 4.8216 8.8982 118.1587 54.3047 33.1525 174.1720 45 Q 4.6292 9.0076 123.4095 56.5692 30.0006 174.9055 46 A 4.9180 9.1139 128.4054 49.9544 21.4993 174.9877 47 W 5.6792 8.8002 132.2539 55.8530 33.9873 173.9497 48 C 3.6503 8.2184 119.8311 56.8864 32.9380 172.9315 49 Q 4.6245 7.6115 119.9749 54.7842 29.7546 174.8727 50 M 4.3811 8.9319 125.7261 52.7677 34.0387 174.2925 51 P 4.5616 0.0000 0.0000 62.5254 32.9832 175.5305 52 V 4.5394 8.3405 124.3685 60.8129 34.5978 173.9409 53 I 4.7108 8.2063 126.7765 59.0852 41.0271 174.0045 54 V 4.5596 9.2307 130.6808 61.6133 32.8682 174.3995 55 S 5.0571 8.8451 123.8783 57.7787 65.5654 175.4690 56 G 4.0150 8.4606 107.2857 45.8068 0.0000 173.6738 57 H 4.3849 8.4371 115.7579 58.1918 29.2288 177.9440 58 E 4.0374 8.4706 116.9678 59.2819 29.0422 177.6661 59 N 4.8778 7.9138 113.0282 52.5849 39.0978 176.3782 60 Q 4.1524 7.8426 118.9616 58.7402 28.7318 178.3334 61 A 4.0476 7.9702 121.4876 55.3018 18.5133 179.4255 62 I 3.7064 7.7654 116.4483 64.2684 38.0576 177.8408 63 T 3.7753 7.6640 116.3976 66.6424 68.0066 175.1357 64 H 4.5168 7.9426 115.4038 56.7335 29.0535 176.0957 65 S 4.4010 7.9028 116.6769 59.4684 63.4248 174.4621 66 I 3.8794 7.0776 122.0552 60.7447 37.3320 175.2094 67 T 4.5706 8.4627 114.5925 59.2570 72.0437 173.1596 68 V 3.9911 8.1535 121.6138 64.6022 31.4639 175.1517 69 G 4.0669 8.4200 115.5993 45.6895 0.0000 174.1810 70 S 4.2174 8.2814 117.4691 58.8423 64.2208 173.5350 71 R 5.0552 8.5903 123.6660 54.8672 31.8791 175.4601 72 I 5.2148 8.7011 116.4476 59.7385 42.0584 173.8710 73 T 5.1256 8.7457 118.6675 61.7442 71.9690 173.3239 74 V 4.8545 8.7676 125.6847 61.0360 34.6852 173.8124 75 Q 4.9916 9.0282 128.9659 54.3527 31.8929 175.1469 76 G 4.2570 8.1632 112.4592 46.7308 0.0000 171.2564 77 F 5.3591 7.5601 114.0191 55.1103 40.6857 175.0919 78 I 4.8081 8.3358 113.9406 60.4783 39.5621 174.9474 79 S 4.7078 8.7796 117.8732 57.4370 66.0225 172.4667 80 C 5.4972 8.7878 123.9908 58.4193 31.0361 172.7076 81 H 5.0205 8.9719 118.1977 53.9786 33.0737 172.1824 82 K 5.5937 8.2978 119.0475 53.7529 35.9281 176.1170 *87 L 4.1696 7.9551 119.4587 54.4548 42.1124 176.2070 88 S 5.2032 7.6943 113.8031 56.6240 65.4891 174.6013 89 K 4.6521 8.9623 121.9611 55.4212 35.6755 174.5696 90 M 4.9027 8.6530 123.0417 54.3012 33.9135 175.0684 91 V 4.4810 8.8047 124.8949 60.9347 35.6036 173.9022 92 L 4.5068 8.8726 129.6163 54.0373 43.5011 175.1797 93 H 4.6180 8.6371 125.5353 54.5329 29.4371 174.8922 94 A 4.3517 8.3906 126.8523 52.0962 18.0988 176.7388 95 E 4.6459 9.7089 121.4052 56.7436 32.9912 176.2533 96 Q 4.7203 7.9270 116.9922 54.1102 33.4604 174.1336 97 I 5.0028 8.4473 123.0130 59.4776 40.5474 174.1877 98 E 4.5968 9.1833 128.4948 54.2767 31.8840 174.6530 99 L 4.5783 8.5167 127.4247 54.0585 42.3448 176.9247 100 I 4.0396 8.0668 124.1215 61.4577 36.7550 176.2485 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 M 8.30 4.42 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 2 T 7.74 3.73 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 1.21 0.00 0.00 3 N 8.60 4.66 0.00 2.69 2.70 0.00 0.00 6.82 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 4 R 8.43 4.71 0.00 1.84 1.77 0.00 3.26 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 5 L 9.47 4.65 0.00 1.72 1.46 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.38 4.74 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 0.82 0.00 0.00 0.93 0.00 0.00 7 L 8.79 4.65 0.00 1.68 1.38 0.61 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.64 5.11 0.00 3.83 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 9 G 8.06 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 0.00 0.00 0.00 10 T 7.93 5.23 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 1.28 0.00 0.00 11 V 8.76 4.23 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 1.01 0.00 0.00 0.81 0.00 0.00 12 C 9.04 4.70 0.00 3.08 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 13 R 7.79 4.75 0.00 1.78 1.85 0.00 3.15 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 14 A 8.78 4.21 1.22 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 15 P 0.00 4.52 0.00 1.91 2.11 0.00 3.60 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.81 0.00 16 L 9.55 4.52 0.00 1.75 1.55 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.59 5.30 0.00 1.73 1.83 0.00 3.25 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 18 K 8.84 4.72 0.00 1.81 1.86 0.00 1.24 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.43 7.81 19 V 8.15 4.98 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 0.93 0.00 0.00 0.95 0.00 0.00 20 S 9.39 4.40 0.00 4.05 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 21 P 0.00 4.18 0.00 2.07 2.19 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 22 S 7.96 4.31 0.00 3.99 3.99 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 23 G 8.39 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 24 I 7.85 4.19 1.88 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 1.26 0.89 0.74 0.00 0.00 25 P 0.00 4.83 0.00 2.07 2.16 0.00 3.34 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 26 H 9.51 5.36 0.00 2.99 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.43 5.20 0.00 3.07 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 28 Q 8.98 5.14 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.30 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 29 F 8.26 5.06 0.00 3.33 3.14 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 0.00 0.00 0.00 30 V 8.57 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 0.96 0.00 0.00 0.92 0.00 0.00 31 L 9.16 4.96 0.00 1.86 1.61 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.13 4.70 0.00 2.11 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 2.35 2.18 0.00 33 H 9.05 5.11 0.00 3.27 3.01 0.00 5.78 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.13 5.28 0.00 1.92 2.14 0.00 3.17 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 35 S 8.97 4.67 0.00 3.91 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 36 V 8.29 4.71 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 0.72 0.00 0.00 0.90 0.00 0.00 37 Q 9.18 4.75 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 38 E 8.55 5.00 0.00 1.95 1.78 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 2.14 2.24 0.00 39 A 8.21 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 9.87 3.79 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.73 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 42 F 7.79 4.95 0.00 3.21 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 43 H 8.76 4.98 0.00 3.14 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.90 4.82 0.00 1.95 2.18 0.00 2.89 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.55 0.00 45 Q 9.01 4.63 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 46 A 9.11 4.92 1.31 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 0.00 0.00 0.00 47 W 8.80 5.68 0.00 3.27 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 48 C 8.22 3.65 0.00 2.67 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 49 Q 7.61 4.62 0.00 1.72 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.80 0.00 0.00 0.00 0.00 0.00 2.23 1.97 0.00 50 M 8.93 4.38 0.00 1.75 1.85 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 2.42 2.51 0.00 51 P 0.00 4.56 0.00 1.94 1.86 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 52 V 8.34 4.54 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 0.66 0.00 0.00 0.63 0.00 0.00 53 I 8.21 4.71 1.66 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 1.04 1.26 0.52 0.00 0.00 54 V 9.23 4.56 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 0.95 0.00 0.00 1.09 0.00 0.00 55 S 8.85 5.06 0.00 3.80 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 56 G 8.46 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 57 H 8.44 4.38 0.00 3.21 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.47 4.04 0.00 2.07 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 0.00 2.31 2.44 0.00 59 N 7.91 4.88 0.00 2.74 2.89 0.00 0.00 6.92 7.69 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 60 Q 7.84 4.15 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 61 A 7.97 4.05 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 62 I 7.77 3.71 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 1.62 1.32 0.96 0.00 0.00 63 T 7.66 3.78 4.44 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 1.10 0.00 0.00 64 H 7.94 4.52 0.00 3.28 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.90 4.40 0.00 3.99 3.88 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 66 I 7.08 3.88 1.67 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.29 0.24 0.00 0.00 67 T 8.46 4.57 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 1.17 0.00 0.00 68 V 8.15 3.99 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 0.87 0.00 0.00 0.95 0.00 0.00 69 G 8.42 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 70 S 8.28 4.22 0.00 3.78 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 71 R 8.59 5.06 0.00 1.75 1.85 0.00 3.08 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 72 I 8.70 5.21 1.89 0.00 0.00 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 1.24 0.95 0.86 0.00 0.00 73 T 8.75 5.13 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 1.27 0.00 0.00 74 V 8.77 4.85 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 0.91 0.00 0.00 1.04 0.00 0.00 75 Q 9.03 4.99 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.45 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 76 G 8.16 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 0.00 0.00 0.00 0.00 77 F 7.56 5.36 0.00 3.31 3.25 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 0.00 78 I 8.34 4.81 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 1.27 0.68 0.89 0.00 0.00 79 S 8.78 4.71 0.00 4.07 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 80 C 8.79 5.50 0.00 2.84 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 81 H 8.97 5.02 0.00 3.04 3.15 0.00 5.55 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.30 5.59 0.00 1.67 1.66 0.00 1.63 0.00 0.00 2.36 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.54 7.81 *87 L 7.96 4.17 0.00 1.78 1.66 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.69 5.20 0.00 3.97 3.85 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 89 K 8.96 4.65 0.00 1.79 1.89 0.00 1.17 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.57 7.81 90 M 8.65 4.90 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 91 V 8.80 4.48 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 0.68 0.00 0.00 0.85 0.00 0.00 92 L 8.87 4.51 0.00 1.62 1.48 0.82 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.64 4.62 0.00 1.40 2.48 0.00 5.67 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 94 A 8.39 4.35 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 95 E 9.71 4.65 0.00 2.01 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 2.34 2.47 0.00 96 Q 7.93 4.72 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 97 I 8.45 5.00 1.90 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 1.33 0.66 0.94 0.00 0.00 98 E 9.18 4.60 0.00 2.01 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 2.20 2.25 0.00 99 L 8.52 4.58 0.00 1.56 1.60 0.90 0.86 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 0.00 100 I 8.07 4.04 1.98 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 1.09 0.47 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.