NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5587 8.1927 115.5762 57.9743 64.4334 172.3630 3 H 4.4532 9.0383 126.0217 57.2962 30.6543 172.0300 4 T 5.3368 10.1870 123.7373 61.9008 72.7583 172.3560 5 I 4.9012 9.0713 127.0058 59.4718 40.0707 174.1245 6 L 5.1022 9.3998 129.7773 53.4693 44.2631 174.7574 7 L 5.2434 9.0668 126.7204 53.0396 44.2808 175.5997 8 V 4.8266 9.0121 123.7372 61.1295 35.2220 174.0626 9 Q 4.5516 9.1463 128.3931 53.8170 30.9695 173.5217 10 P 4.3320 0.0000 0.0000 65.2379 32.3328 176.3174 11 T 4.8344 7.4577 105.2729 59.4573 71.7619 173.4919 12 K 4.0030 8.6827 121.8754 59.0711 32.4443 178.3067 13 R 4.1067 7.9314 119.4795 55.1060 29.5580 181.3350 14 P 4.3826 0.0000 0.0000 64.7900 31.4781 178.2452 15 E 4.1218 8.1909 116.8774 58.1313 29.4239 177.5254 16 G 3.8626 7.7351 106.3703 45.9209 0.0000 174.3507 17 R 4.3136 7.6746 120.3630 56.8620 30.5486 175.9827 18 T 4.8798 9.1019 117.6505 61.2518 71.6986 171.3058 19 Y 5.9270 8.1815 120.7884 55.3369 41.6146 173.7459 20 A 4.7713 8.5960 119.6990 50.7437 22.7523 174.7591 21 D 5.4070 8.2269 118.2086 52.0202 43.0119 174.0819 22 Y 4.9519 9.0505 116.1179 56.5754 42.4785 176.3631 23 E 4.1602 9.2113 120.0682 58.8229 30.1811 177.5518 24 S 5.2391 7.6074 113.3144 55.7874 67.5007 175.2577 25 V 3.6888 8.4131 121.1918 66.3383 31.2821 177.6741 26 N 4.3167 8.1703 115.7174 56.4982 38.4459 177.1202 27 E 3.9529 8.1531 119.4704 59.2341 29.5180 179.0130 28 C 2.4500 7.7309 118.8776 62.1908 31.6342 175.5000 29 M 4.0344 8.2526 120.7350 58.3436 31.4046 178.3484 30 E 4.0593 8.3882 119.7562 59.1444 29.7657 179.1060 31 G 3.5929 7.8243 105.8712 47.7330 0.0000 175.8758 32 V 3.7234 7.7909 120.6074 65.9957 31.4939 177.9180 33 C 4.2612 8.1985 116.5127 62.9355 27.9570 176.3336 34 K 4.1725 8.4873 120.3233 59.4517 31.6661 179.1312 35 M 4.0643 8.0972 118.7755 58.7976 32.1197 177.7020 36 Y 3.2559 7.9276 119.6285 60.4980 38.8731 177.7094 37 E 3.5042 8.3196 119.8766 59.1648 29.5085 179.0111 38 E 3.8579 8.2723 119.5858 59.2996 29.6745 178.3261 39 H 4.1048 7.8025 117.8583 59.3068 30.0474 177.2737 40 L 3.6971 7.5920 120.9273 57.5478 41.0864 179.6738 41 K 3.9204 7.7863 117.7043 59.5310 32.0388 179.3378 42 R 4.0410 7.6632 117.3469 59.1561 30.0867 178.3005 43 M 4.3062 7.6499 116.1827 55.9589 33.7334 176.1244 44 N 5.0462 7.8070 116.4499 50.7132 39.4749 173.5168 45 P 4.2952 0.0000 0.0000 65.3354 31.7776 177.4787 46 N 4.7153 8.0606 113.9353 52.2586 37.4306 174.3714 47 S 4.6318 7.7351 115.7411 56.5685 63.7798 172.5433 48 P 4.3491 0.0000 0.0000 64.0074 31.6518 176.3471 49 S 4.4986 7.9962 117.0852 57.4217 64.7273 173.6200 *50 I 4.4379 8.2429 123.5675 58.2216 36.9950 171.6245 51 T 4.7351 8.2097 118.9784 59.6602 70.2654 172.1758 52 Y 5.0041 7.6812 123.4728 56.0880 40.3593 173.4824 53 D 4.8156 9.1242 120.8027 51.5471 41.8534 177.2909 54 I 3.6049 8.2247 119.6694 64.3985 37.6879 178.0747 55 S 4.0224 7.9321 114.4815 61.4575 62.8042 176.4270 56 Q 4.1836 8.9309 122.2162 58.6307 28.4780 178.2769 57 L 2.8878 7.6688 120.6389 57.7549 42.0827 179.0282 58 F 4.4328 8.4501 117.9149 60.7359 38.8572 177.3627 59 D 4.4031 8.4558 118.6645 57.2151 40.3804 178.5397 60 F 4.1228 7.9156 120.1713 61.4531 39.5530 176.9097 61 I 3.6169 7.8806 119.3132 64.4741 36.6497 178.1828 62 D 4.3302 7.9921 118.7361 57.4081 40.6929 178.2937 63 D 4.4022 7.6701 118.1651 55.5635 41.2411 177.1258 64 L 4.0490 6.7480 119.1808 54.3521 42.1860 177.0633 65 A 4.1738 8.1992 124.9401 55.1017 19.0538 177.6997 66 D 4.6185 8.2906 113.4177 53.2586 45.3631 174.6006 67 L 5.1345 8.3782 127.2372 54.0444 45.1704 174.4820 68 S 4.8877 9.0235 120.0187 57.9746 67.1681 172.4340 69 C 5.3661 8.9695 114.1746 57.0605 33.7573 172.7643 70 L 5.2246 9.1409 118.8929 52.9969 45.1658 175.8329 71 V 5.0070 8.7533 124.0876 60.9140 34.3657 174.1526 72 Y 3.8596 9.2106 130.0984 57.6366 40.0859 174.6565 73 R 4.4631 7.6787 125.3141 54.0594 32.1354 176.7503 74 A 3.8787 8.6294 127.9703 55.0762 18.8459 178.1052 75 D 4.4700 8.1045 115.1798 56.9552 40.9065 177.2879 76 T 4.3184 7.4387 105.3763 60.3172 70.2855 173.6102 77 Q 3.5329 8.1499 120.1418 56.3100 26.7553 172.3821 78 T 4.7689 6.8014 105.6069 60.4868 73.4709 171.8694 79 Y 4.8881 8.4762 118.7381 56.2666 39.7595 175.5309 80 Q 4.1522 9.0351 127.0788 54.6844 30.3023 173.0006 81 P 4.8540 0.0000 0.0000 62.5663 32.8764 175.0593 82 Y 4.7160 8.5879 119.1816 56.3652 42.5244 174.9664 83 N 4.9557 8.6318 120.2289 51.6059 40.3473 175.4555 84 K 3.8830 8.8702 117.0449 60.2137 31.9596 178.9625 85 D 4.2447 8.0916 118.3376 57.0490 40.7450 178.5199 86 W 4.0732 8.2393 128.4174 60.4168 30.8018 177.9815 87 I 3.7133 8.0629 119.8370 64.2994 36.6080 178.4081 88 K 3.7502 8.1753 119.6374 59.6130 31.7585 179.2495 89 E 4.0167 7.9943 118.6146 59.3517 29.3775 179.6293 90 K 3.7482 7.7776 118.5428 59.1098 31.9037 179.5861 91 I 3.7552 7.8740 120.4740 64.2400 36.9359 177.6840 92 Y 3.9708 8.2498 120.4337 60.9724 38.8216 178.7330 93 V 3.6268 7.9470 113.2689 64.0877 31.5715 178.4762 94 L 3.8801 7.7230 120.0548 58.2479 42.1491 179.0853 95 L 3.9573 8.2384 119.6460 57.6297 41.5721 179.7403 96 R 3.7475 7.9445 116.4304 58.9592 29.4455 179.0367 97 R 3.8141 7.7486 119.0255 59.3977 29.9402 178.5736 98 Q 4.6047 8.1829 117.5366 58.1290 28.6527 178.3112 99 A 4.1057 7.4948 121.3706 54.6063 18.6089 178.8154 100 Q 4.1948 7.6215 113.0818 57.2288 29.6111 176.6195 101 Q 4.2624 7.8358 125.8322 56.3545 28.7417 175.2455 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 S 8.19 4.56 0.00 4.05 3.94 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 3 H 9.04 4.45 0.00 3.38 3.35 0.00 5.86 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 4 T 10.19 5.34 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 5 I 9.07 4.90 1.76 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.64 0.82 0.00 0.00 6 L 9.40 5.10 0.00 1.99 1.95 1.11 0.64 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 7 L 9.07 5.24 0.00 1.63 1.58 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 V 9.01 4.83 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 1.06 0.00 0.00 1.02 0.00 0.00 9 Q 9.15 4.55 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 10 P 0.00 4.33 0.00 2.11 2.09 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 11 T 7.46 4.83 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 12 K 8.68 4.00 0.00 1.76 1.91 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.42 7.81 13 R 7.93 4.11 0.00 1.77 1.84 0.00 3.27 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 14 P 0.00 4.38 0.00 2.21 2.34 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 15 E 8.19 4.12 0.00 1.97 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 0.00 2.32 2.37 0.00 16 G 7.74 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.67 4.31 0.00 1.84 1.93 0.00 3.17 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 18 T 9.10 4.88 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 1.23 0.00 0.00 19 Y 8.18 5.93 0.00 3.10 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 20 A 8.60 4.77 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 21 D 8.23 5.41 0.00 2.76 2.66 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 22 Y 9.05 4.95 0.00 3.11 2.92 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 23 E 9.21 4.16 0.00 2.26 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 2.37 2.37 0.00 24 S 7.61 5.24 0.00 4.10 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 25 V 8.41 3.69 2.18 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 1.22 0.00 0.00 1.19 0.00 0.00 26 N 8.17 4.32 0.00 2.78 2.85 0.00 0.00 7.12 7.66 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 27 E 8.15 3.95 0.00 2.28 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 0.00 2.40 2.36 0.00 28 C 7.73 2.45 0.00 2.91 3.05 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 0.00 0.00 0.00 29 M 8.25 4.03 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.85 0.00 30 E 8.39 4.06 0.00 2.01 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 0.00 2.33 2.35 0.00 31 G 7.82 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 32 V 7.79 3.72 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 1.14 0.00 0.00 1.05 0.00 0.00 33 C 8.20 4.26 0.00 3.29 3.12 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 34 K 8.49 4.17 0.00 1.98 1.90 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.70 7.81 35 M 8.10 4.06 0.00 2.45 2.19 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.86 0.00 36 Y 7.93 3.26 0.00 2.58 2.79 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 37 E 8.32 3.50 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 2.38 2.41 0.00 38 E 8.27 3.86 0.00 2.06 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 0.00 2.31 2.36 0.00 39 H 7.80 4.10 0.00 3.28 3.17 0.00 5.84 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 40 L 7.59 3.70 0.00 1.46 1.42 0.16 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.79 3.92 0.00 1.82 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.71 7.81 42 R 7.66 4.04 0.00 1.92 1.97 0.00 3.18 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 43 M 7.65 4.31 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 44 N 7.81 5.05 0.00 2.76 2.65 0.00 0.00 6.59 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 45 P 0.00 4.30 0.00 2.15 2.18 0.00 3.72 0.00 0.00 3.86 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 46 N 8.06 4.72 0.00 2.83 2.92 0.00 0.00 5.87 7.64 0.00 0.00 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 S 7.74 4.63 0.00 3.97 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 48 P 0.00 4.35 0.00 2.16 2.16 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 49 S 8.00 4.50 0.00 3.81 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 *50 I 8.24 4.44 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 1.30 0.70 0.91 0.00 0.00 51 T 8.21 4.74 4.21 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 1.21 0.00 0.00 52 Y 7.68 5.00 0.00 3.35 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 53 D 9.12 4.82 0.00 2.84 2.82 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 54 I 8.22 3.60 1.70 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 -0.03 0.75 0.00 0.00 55 S 7.93 4.02 0.00 4.10 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 56 Q 8.93 4.18 0.00 2.47 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.69 0.00 57 L 7.67 2.89 0.00 1.69 1.88 0.69 1.17 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 58 F 8.45 4.43 0.00 3.24 3.05 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 0.00 0.00 0.00 59 D 8.46 4.40 0.00 2.93 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 60 F 7.92 4.12 0.00 2.65 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 61 I 7.88 3.62 1.98 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 1.56 1.50 0.83 0.00 0.00 62 D 7.99 4.33 0.00 2.81 2.70 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 63 D 7.67 4.40 0.00 2.67 2.65 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 0.00 0.00 0.00 0.00 64 L 6.75 4.05 0.00 1.54 1.46 0.71 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.20 4.17 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 66 D 8.29 4.62 0.00 2.78 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.38 5.13 0.00 1.59 1.47 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 68 S 9.02 4.89 0.00 4.07 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 69 C 8.97 5.37 0.00 3.28 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 70 L 9.14 5.22 0.00 1.53 1.67 0.78 1.05 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 71 V 8.75 5.01 2.29 0.00 0.00 0.00 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 1.13 0.00 0.00 72 Y 9.21 3.86 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 73 R 7.68 4.46 0.00 1.35 1.58 0.00 3.29 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 74 A 8.63 3.88 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 75 D 8.10 4.47 0.00 2.57 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 76 T 7.44 4.32 4.14 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 1.13 0.00 0.00 77 Q 8.15 3.53 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 78 T 6.80 4.77 4.21 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 1.21 0.00 0.00 79 Y 8.48 4.89 0.00 2.87 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 80 Q 9.04 4.15 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.97 0.00 0.00 0.00 0.00 0.00 1.86 1.16 0.00 81 P 0.00 4.85 0.00 1.95 1.89 0.00 3.47 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 1.70 1.84 0.00 82 Y 8.59 4.72 0.00 2.44 2.33 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 83 N 8.63 4.96 0.00 2.82 3.00 0.00 0.00 6.18 6.55 0.00 0.00 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 K 8.87 3.88 0.00 1.80 1.87 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.67 7.81 85 D 8.09 4.24 0.00 2.72 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 86 W 8.24 4.07 0.00 3.45 3.42 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 0.00 0.00 0.00 0.00 87 I 8.06 3.71 2.11 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.02 0.96 0.00 0.00 88 K 8.18 3.75 0.00 1.46 0.74 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.80 1.36 7.81 89 E 7.99 4.02 0.00 1.88 1.83 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 2.41 2.40 0.00 90 K 7.78 3.75 0.00 1.32 1.43 0.00 1.21 0.00 0.00 1.14 0.00 0.00 2.47 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.21 7.81 91 I 7.87 3.76 2.21 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 1.06 0.00 0.00 92 Y 8.25 3.97 0.00 3.34 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 93 V 7.95 3.63 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 0.89 0.00 0.00 0.90 0.00 0.00 94 L 7.72 3.88 0.00 1.81 1.81 0.89 0.62 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 95 L 8.24 3.96 0.00 1.50 1.55 0.95 0.78 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 96 R 7.94 3.75 0.00 1.78 1.63 0.00 2.73 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 97 R 7.75 3.81 0.00 2.03 2.06 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 98 Q 8.18 4.60 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 99 A 7.49 4.11 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 0.00 100 Q 7.62 4.19 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.51 2.38 0.00 101 Q 7.84 4.26 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 * Residues marked with a * may have inaccurate shift predictions.