NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 S 4.3958 8.3349 117.0972 57.9245 63.5857 172.0304 22 V 4.0496 7.2309 117.6179 59.5527 33.7433 175.5140 23 N 4.7735 8.3221 119.2497 52.4080 40.1845 172.0668 24 S 4.8647 8.1895 117.5277 55.9660 65.9616 172.8452 25 V 4.4897 8.4364 124.2293 61.5615 34.9840 173.9926 26 T 5.0506 8.6075 123.3657 61.8611 71.5789 173.1933 27 L 4.8524 8.9056 126.1236 52.7501 45.7269 175.7850 28 V 4.7414 8.0759 122.4345 61.6367 33.9901 174.8555 29 G 4.1299 8.1335 114.1857 46.3682 0.0000 171.5612 30 V 4.9508 7.9520 120.0404 61.0361 34.8032 176.2231 31 V 4.5741 8.4226 127.2416 62.5752 32.8705 174.4976 32 H 5.2519 8.8363 123.2577 54.7459 33.7419 171.8997 33 D 4.3694 9.2976 119.4931 55.4487 37.9529 173.0798 34 I 4.8052 7.4029 119.2156 60.8299 39.0125 176.9682 35 Q 4.5275 9.1828 125.4399 54.6843 33.1040 174.2943 36 S 4.8219 8.5972 119.9736 57.5288 64.8521 175.0228 37 G 3.9439 7.4811 108.4972 46.3152 0.0000 171.2838 38 F 5.2190 8.9030 120.8665 55.3870 42.2584 173.9984 39 V 4.3759 7.9707 118.6903 61.2805 34.8131 172.6129 *40 Y 4.6836 7.8341 122.7314 57.0220 38.2692 177.9315 41 E 3.9191 8.5931 110.8700 57.4873 26.8907 176.6499 42 D 4.9445 8.1180 118.9305 52.7099 44.9777 175.3438 43 A 3.4319 8.6564 125.7465 52.5862 19.2782 176.9858 44 V 4.3149 7.9095 119.5420 62.5179 35.8250 172.6939 45 T 4.9268 7.8817 122.3930 61.8332 70.4710 173.4769 46 Q 5.1294 9.1524 125.2462 54.3975 32.0049 174.5125 47 F 6.0844 8.2990 114.6659 55.6060 42.1968 173.2623 48 T 4.8841 9.0637 116.8316 62.8681 70.2551 173.7346 49 L 5.3709 9.0113 127.0932 53.7459 45.3764 174.9848 50 T 5.0439 9.0624 123.9055 62.3664 70.2683 173.9302 51 T 4.9606 8.9516 117.2208 60.2881 72.2306 173.9731 52 T 4.8448 8.2367 118.6836 62.3423 71.8018 173.3118 53 S 4.5353 8.9994 126.5293 58.1260 64.6113 174.4843 54 I 4.5013 8.4387 127.7589 59.3379 35.9133 172.4455 55 D 4.3434 8.7828 131.7840 54.8310 40.2067 175.1557 56 T 4.2817 8.5992 116.3281 58.9933 67.7454 170.5107 57 T 4.7868 8.0518 126.9024 61.7139 71.8178 174.6045 *58 H 4.2657 8.6811 119.6332 57.4253 28.3658 171.8048 *62 E 4.0530 7.9253 114.3830 57.6894 31.4021 180.8363 63 V 3.2928 8.2882 115.1265 63.1598 28.1821 173.3250 64 V 4.5263 7.1992 122.0643 59.6956 35.0146 177.9384 65 V 4.7715 8.2594 124.2152 60.4254 33.8203 174.2641 66 E 4.5679 8.6198 127.2097 55.3089 31.6638 175.3289 67 K 5.0820 8.4344 122.1207 54.9864 35.4005 174.8628 68 D 4.9624 9.1647 126.1946 52.7469 45.1106 174.1552 69 H 5.3415 8.6793 118.0589 54.3874 31.3757 173.1471 70 H 5.0570 9.2069 119.4054 54.2752 33.0612 172.7416 71 T 4.5816 8.4923 118.1261 62.6146 69.9934 173.5751 72 I 4.5416 8.4209 128.2921 59.3637 39.9847 174.9963 73 R 4.4203 8.5782 125.9648 54.8213 33.3789 173.2529 74 C 5.3067 8.4661 124.6190 58.2721 30.0392 173.0201 75 F 4.6440 9.5862 123.5260 56.6530 40.2975 175.0425 76 G 4.2731 8.8901 107.4064 43.9280 0.0000 174.6660 77 E 3.9810 8.9824 122.8260 59.0807 29.8664 178.8327 78 L 4.0637 7.9130 118.6622 57.7127 41.7888 178.9704 79 F 4.7562 8.1215 120.9757 61.1127 39.5660 176.9325 80 S 3.7946 7.9237 112.2001 61.3270 61.9566 176.2233 81 A 3.8760 7.5588 122.0687 55.1532 18.1115 179.0340 82 E 3.8760 8.5552 117.6011 59.8167 29.6176 179.9620 83 V 3.4455 7.8537 117.9960 65.9702 31.3632 177.7443 84 K 3.7775 7.6952 117.7529 59.7037 31.9639 178.4243 85 Q 4.0866 8.0033 117.3129 58.7703 28.8233 178.2101 86 K 4.2023 7.8235 117.8953 57.6651 32.6613 177.9047 87 V 3.7287 7.2915 118.9628 62.1354 32.0502 175.1867 88 K 4.5528 8.4403 126.1540 53.7794 34.7556 175.2160 89 E 3.8631 8.6100 122.0266 58.3881 29.6772 177.1875 90 G 3.9931 8.9413 115.0035 45.1453 0.0000 173.5574 91 N 4.3748 7.9966 117.4172 53.8281 40.0737 174.1088 92 V 4.5842 8.2057 121.3150 62.0159 33.5696 175.1294 93 V 4.9807 8.5986 119.6322 59.9667 36.9986 173.4563 94 C 5.3160 9.1166 122.0049 57.7015 34.3502 172.6272 95 V 4.9787 9.2171 126.0820 61.1927 34.2341 173.6029 96 N 5.4932 8.7537 125.2325 51.9508 41.4466 174.4738 97 G 4.3470 8.3273 108.8899 46.3812 0.0000 171.2869 98 R 5.0377 8.0788 118.9412 54.1291 32.2382 175.9411 99 L 4.1772 8.6982 126.1964 55.4502 42.8283 176.0287 100 R 4.5596 8.4164 125.6276 54.1703 33.4842 174.7817 101 L 5.0934 8.3531 122.4475 52.9523 43.9619 175.7733 102 S 4.7390 9.1235 119.3678 56.2029 64.3893 173.4039 103 P 4.4876 0.0000 0.0000 66.6633 31.4549 179.1758 104 Q 3.4226 7.4559 118.9342 56.9739 27.4845 179.6451 *112 H 4.6299 8.0317 116.0493 54.8219 29.6157 174.6721 113 F 4.7487 8.8180 128.4669 56.0117 41.9497 173.2971 *114 Y 4.8249 7.7331 129.8084 56.2433 39.8897 172.4464 *115 F 4.4303 9.6083 127.8514 54.9395 39.7196 169.4285 116 P 5.2027 0.0000 0.0000 60.7725 32.3255 174.5069 117 Y 5.0868 8.2834 121.9970 55.0180 42.2529 174.2663 118 I 4.7219 9.0544 121.5375 60.0424 39.3093 174.7335 119 Q 4.8804 9.0310 129.8434 55.2677 30.3716 174.4367 120 V 4.9945 8.7257 127.2431 61.2266 34.6663 174.2816 121 Q 4.9880 8.4081 122.8570 54.6021 31.3722 172.2470 122 P 4.7309 0.0000 0.0000 61.7803 31.9350 174.2531 123 P 4.4850 0.0000 0.0000 63.9714 31.5874 177.5572 *124 H 4.1860 8.0006 116.2514 57.0172 28.4040 180.5957 125 G 4.3779 7.9417 106.5297 44.8305 0.0000 171.1892 126 Q 4.6715 8.3071 116.2215 55.2771 32.4990 173.3156 127 V 4.8906 8.6415 119.1585 61.2350 33.9372 174.1525 128 A 4.7548 9.0892 130.7947 50.1700 21.1378 175.5197 129 V 3.9912 8.4118 123.3083 62.4351 32.6457 175.2078 130 I 4.3010 8.2475 129.1909 60.0665 38.3323 175.0107 131 H 4.7994 8.8129 125.4536 54.4817 31.1130 174.0802 132 G 3.8857 8.9300 115.4717 46.0764 0.0000 173.6339 133 D 4.2619 9.0299 122.5623 53.4605 40.6692 176.4651 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 21 S 8.33 4.40 0.00 3.65 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 22 V 7.23 4.05 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 0.80 0.00 0.00 0.92 0.00 0.00 23 N 8.32 4.77 0.00 2.59 2.64 0.00 0.00 6.64 7.63 0.00 0.00 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 S 8.19 4.86 0.00 3.86 3.66 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 25 V 8.44 4.49 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 0.88 0.00 0.00 0.91 0.00 0.00 26 T 8.61 5.05 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 1.21 0.00 0.00 27 L 8.91 4.85 0.00 1.56 1.50 0.72 0.20 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 28 V 8.08 4.74 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 0.81 0.00 0.00 0.94 0.00 0.00 29 G 8.13 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 30 V 7.95 4.95 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 1.01 0.00 0.00 0.94 0.00 0.00 31 V 8.42 4.57 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 0.70 0.00 0.00 0.43 0.00 0.00 32 H 8.84 5.25 0.00 3.13 3.19 0.00 5.82 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 33 D 9.30 4.37 0.00 2.98 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 34 I 7.40 4.81 1.85 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 1.21 0.30 0.88 0.00 0.00 35 Q 9.18 4.53 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 36 S 8.60 4.82 0.00 3.68 3.64 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 0.00 0.00 0.00 0.00 37 G 7.48 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 0.00 0.00 0.00 38 F 8.90 5.22 0.00 2.96 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 39 V 7.97 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 0.74 0.00 0.00 0.93 0.00 0.00 *40 Y 7.83 4.68 0.00 2.29 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 0.00 0.00 0.00 41 E 8.59 3.92 0.00 2.16 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 2.11 1.89 0.00 42 D 8.12 4.94 0.00 2.83 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 43 A 8.66 3.43 1.08 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 0.00 0.00 44 V 7.91 4.31 1.82 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 0.83 0.00 0.00 0.50 0.00 0.00 45 T 7.88 4.93 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 1.17 0.00 0.00 46 Q 9.15 5.13 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 47 F 8.30 6.08 0.00 3.25 3.07 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 48 T 9.06 4.88 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 49 L 9.01 5.37 0.00 1.96 1.59 1.09 1.18 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 50 T 9.06 5.04 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 1.21 0.00 0.00 51 T 8.95 4.96 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 1.32 0.00 0.00 52 T 8.24 4.84 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 1.21 0.00 0.00 53 S 9.00 4.54 0.00 3.80 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 54 I 8.44 4.50 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 1.20 0.69 0.91 0.00 0.00 55 D 8.78 4.34 0.00 2.45 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.60 4.28 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 1.21 0.00 0.00 57 T 8.05 4.79 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 1.21 0.00 0.00 *58 H 8.68 4.27 0.00 2.93 2.97 0.00 7.23 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *62 E 7.93 4.05 0.00 2.01 1.82 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 2.13 1.88 0.00 63 V 8.29 3.29 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 64 V 7.20 4.53 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 0.69 0.00 0.00 0.93 0.00 0.00 65 V 8.26 4.77 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 1.00 0.00 0.00 0.93 0.00 0.00 66 E 8.62 4.57 0.00 2.04 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 2.25 2.24 0.00 67 K 8.43 5.08 0.00 1.71 1.64 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.43 7.81 68 D 9.16 4.96 0.00 2.47 2.30 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 69 H 8.68 5.34 0.00 2.99 3.20 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 70 H 9.21 5.06 0.00 3.01 3.12 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.49 4.58 4.32 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 1.18 0.00 0.00 72 I 8.42 4.54 0.56 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 0.77 0.74 0.62 0.00 0.00 73 R 8.58 4.42 0.00 1.67 1.84 0.00 2.42 0.00 0.00 2.72 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.09 0.00 74 C 8.47 5.31 0.00 2.67 2.36 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 75 F 9.59 4.64 0.00 3.02 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 76 G 8.89 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 77 E 8.98 3.98 0.00 2.11 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 2.41 2.43 0.00 78 L 7.91 4.06 0.00 1.81 1.76 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.12 4.76 0.00 3.06 3.26 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 80 S 7.92 3.79 0.00 3.87 4.08 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 81 A 7.56 3.88 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 82 E 8.56 3.88 0.00 2.21 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 2.40 2.62 0.00 83 V 7.85 3.45 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 0.89 0.00 0.00 0.15 0.00 0.00 84 K 7.70 3.78 0.00 1.76 1.92 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.49 7.81 85 Q 8.00 4.09 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 86 K 7.82 4.20 0.00 1.86 1.83 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.59 7.81 87 V 7.29 3.73 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 0.34 0.00 0.00 0.80 0.00 0.00 88 K 8.44 4.55 0.00 1.80 1.60 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.46 7.81 89 E 8.61 3.86 0.00 1.87 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 2.32 2.43 0.00 90 G 8.94 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 0.00 0.00 0.00 91 N 8.00 4.37 0.00 2.65 2.65 0.00 0.00 6.39 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 92 V 8.21 4.58 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 1.05 0.00 0.00 0.91 0.00 0.00 93 V 8.60 4.98 2.21 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 0.55 0.00 0.00 0.98 0.00 0.00 94 C 9.12 5.32 0.00 2.96 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 95 V 9.22 4.98 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 0.99 0.00 0.00 1.12 0.00 0.00 96 N 8.75 5.49 0.00 2.67 2.69 0.00 0.00 6.38 7.26 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 97 G 8.33 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 5.04 0.00 1.75 1.80 0.00 3.10 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 99 L 8.70 4.18 0.00 1.57 1.67 0.82 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.42 4.56 0.00 0.67 1.41 0.00 3.19 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 101 L 8.35 5.09 0.00 1.44 1.51 0.86 0.76 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 0.00 102 S 9.12 4.74 0.00 3.99 4.30 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 0.00 103 P 0.00 4.49 0.00 2.12 2.20 0.00 3.83 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 104 Q 7.46 3.42 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.52 0.00 0.00 0.00 0.00 0.00 2.28 1.99 0.00 *112 H 8.03 4.63 0.00 2.95 2.95 0.00 7.11 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.82 4.75 0.00 3.07 2.89 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 *114 Y 7.73 4.82 0.00 2.08 2.03 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 *115 F 9.61 4.43 0.00 1.88 2.20 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 0.00 116 P 0.00 5.20 0.00 2.03 2.04 0.00 3.44 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.99 0.00 117 Y 8.28 5.09 0.00 3.20 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 0.00 118 I 9.05 4.72 1.86 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 1.10 1.13 0.97 0.00 0.00 119 Q 9.03 4.88 0.00 2.43 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 120 V 8.73 4.99 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 1.16 0.00 0.00 1.07 0.00 0.00 121 Q 8.41 4.99 0.00 2.32 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 122 P 0.00 4.73 0.00 2.06 1.81 0.00 3.17 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.52 0.00 123 P 0.00 4.48 0.00 2.16 2.15 0.00 3.74 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 1.92 1.92 0.00 *124 H 8.00 4.19 0.00 2.95 2.99 0.00 7.18 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 G 7.94 4.38 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 0.00 0.00 0.00 126 Q 8.31 4.67 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 127 V 8.64 4.89 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 0.92 0.00 0.00 1.25 0.00 0.00 128 A 9.09 4.75 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 0.00 129 V 8.41 3.99 1.94 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 0.65 0.00 0.00 0.88 0.00 0.00 130 I 8.25 4.30 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 1.22 0.71 0.90 0.00 0.00 131 H 8.81 4.80 0.00 3.14 3.21 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.93 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 0.00 0.00 0.00 133 D 9.03 4.26 0.00 2.66 2.36 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 * Residues marked with a * may have inaccurate shift predictions.