NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4363 8.3049 118.1941 54.3982 32.6059 174.7158 1 I 3.6098 8.1391 119.9232 61.4665 37.4153 174.4135 2 Q 4.9288 9.3540 124.1872 54.3463 33.2924 174.3369 3 R 4.8002 9.3818 122.8250 54.5666 33.8635 175.0387 4 T 4.9276 8.8819 120.1210 61.7016 69.4723 172.8721 5 P 4.7754 0.0000 0.0000 63.0253 32.2520 176.0219 6 K 4.4609 9.4926 122.9877 56.0619 33.7584 175.8842 7 I 5.1679 8.3203 123.5957 59.7008 40.5183 174.7880 8 Q 4.9390 9.5090 125.8113 53.9896 32.4361 174.6007 9 V 5.1795 8.4478 123.2246 60.2661 33.7679 174.3234 10 Y 5.2512 8.3856 120.9720 56.4418 41.5180 173.3130 11 S 4.9031 9.1834 115.1858 57.5276 64.4452 174.2173 12 R 4.1413 9.1875 123.4065 59.5427 30.1207 176.4287 13 H 5.0411 8.6032 113.6461 52.7603 31.4017 172.4866 14 P 4.3620 0.0000 0.0000 62.7722 31.6028 176.4417 15 A 4.2716 8.7877 125.6576 52.2124 19.0026 176.7021 16 E 4.6461 8.5878 122.1745 54.1061 32.4470 175.2543 17 N 4.6723 8.8475 121.6020 55.1459 38.9581 175.6565 18 G 3.9480 9.0834 111.2016 45.1989 0.0000 173.2522 19 K 4.5365 7.4896 119.2850 54.0412 34.0981 176.4033 20 S 4.1255 8.2622 117.6728 58.5340 64.0934 172.6395 21 N 4.8611 8.4256 118.8630 53.3889 43.0755 172.3550 22 F 5.2218 8.9293 116.9930 55.5944 42.9150 174.0659 23 L 4.1391 8.6556 125.6743 53.4661 43.5087 174.8096 24 N 5.3701 8.7962 123.5050 51.4378 42.1518 172.8380 25 C 5.3490 9.4960 122.2772 55.1786 47.1040 171.7835 26 Y 5.5486 9.6151 129.0347 56.3083 40.4012 174.5183 27 V 5.0430 8.8368 120.5492 59.7055 34.9006 175.0175 28 S 5.0153 8.9320 118.4239 57.8695 66.9914 174.7789 29 G 4.3948 8.6769 106.2807 46.7996 0.0000 173.3866 30 F 5.1959 7.3253 114.3910 55.8057 41.1623 174.1200 31 H 5.1629 8.8962 116.7617 54.9929 33.8398 172.1611 32 P 5.0815 0.0000 0.0000 62.2313 32.6554 176.0131 33 S 4.0207 8.4592 112.7735 59.9885 63.2250 173.9938 34 D 4.4112 7.9010 121.8012 54.5602 40.6705 175.1113 35 I 4.6601 7.9453 123.2553 59.5526 41.4167 173.0880 36 E 4.5983 8.9386 128.4304 54.2976 32.1387 174.7324 37 V 4.5235 7.9944 125.8627 61.1265 34.1996 174.0411 38 D 5.0046 8.9484 127.1706 52.4394 44.8675 174.7084 39 L 5.0768 8.3265 120.6023 53.1716 44.4696 175.3106 40 L 5.2390 9.1843 122.6746 52.7463 45.3459 175.3213 41 K 4.2641 8.9967 124.5483 54.7121 34.5346 175.7780 42 N 4.1150 10.0415 127.3355 54.2496 36.7326 175.6666 43 G 3.8780 8.5717 107.3410 45.8516 0.0000 174.2122 *44 E 4.5152 7.9462 117.1255 53.5503 31.1802 180.8845 45 R 4.3549 8.5141 124.6303 55.5999 30.4968 175.9531 46 I 4.0228 8.6329 130.0508 61.7116 37.9169 176.7441 *47 E 4.1450 8.8143 121.4195 58.5157 30.2570 175.2107 48 K 4.2916 7.6838 121.6894 54.6229 30.6351 174.2878 49 V 4.4742 7.5114 119.4335 60.7593 34.0530 174.6178 50 E 4.6220 8.4312 127.1227 54.8756 32.5809 174.3035 51 H 5.2817 7.7692 115.0730 53.6269 31.6494 173.2861 52 S 4.5342 8.9130 115.1420 58.1534 63.9289 173.7034 53 D 4.4704 8.5227 120.7432 53.6768 41.2263 176.2290 54 L 3.9710 8.5437 125.1974 56.2875 42.6683 175.8489 55 S 4.7276 8.2039 119.1781 57.2106 66.6329 171.7193 56 F 5.1750 7.5514 114.1092 56.0260 40.5795 174.0984 57 S 4.6704 9.3747 119.6512 57.5866 64.3291 176.2583 *58 K 3.8898 8.5709 122.4486 58.0577 31.2038 174.9671 59 D 4.5095 7.8176 115.3644 53.1200 39.2172 177.2487 60 W 3.7021 7.9319 119.6444 56.8724 28.3717 174.6976 61 S 4.3803 8.1392 114.1978 58.0687 64.0557 174.1316 62 F 4.9411 8.5451 121.7754 57.4987 40.5162 174.0572 63 Y 5.4842 8.2971 117.8915 55.8355 41.7126 173.9565 64 L 5.1514 9.5202 120.4319 53.2773 46.9412 174.7712 65 L 5.4059 9.2778 125.0129 53.9486 44.2129 174.5820 66 Y 5.2549 9.4099 124.9321 56.9053 40.5076 174.3862 67 Y 5.3757 8.5595 119.7577 56.6680 41.9789 173.3250 68 T 4.9906 8.9596 114.5264 60.5548 71.4123 172.7756 69 E 3.9389 8.6555 127.3148 56.4423 30.2838 176.0334 70 F 4.8620 9.0623 117.4395 56.1100 41.7220 173.3684 71 T 4.4753 8.1579 116.0415 60.8570 70.8088 171.9086 72 P 4.4418 0.0000 0.0000 62.9707 32.6929 175.7276 73 T 4.9869 8.5960 118.4599 60.3882 70.9618 174.2066 *74 E 4.1637 9.0671 119.2836 58.5945 29.5176 176.6149 75 K 4.4008 7.8875 116.2645 57.5714 33.7834 176.7783 76 D 4.5940 8.1616 119.9633 54.3452 41.3984 175.0327 77 E 4.9935 9.2630 123.6891 55.0059 32.3303 174.6930 78 Y 5.3782 8.8132 118.8985 56.6502 42.6655 174.0240 79 A 5.1474 9.0472 121.7618 51.2343 23.6831 174.1066 80 C 5.2957 9.3680 119.5393 54.7374 46.9434 172.5685 81 R 5.1174 9.1048 126.5397 54.5061 32.4514 174.3414 82 V 4.7727 9.0315 126.2472 61.0837 34.8447 173.7631 83 N 5.3251 8.8855 124.5521 51.9183 41.9727 172.9136 84 H 4.9799 8.5677 120.6433 54.8420 32.9317 174.4519 85 V 3.5753 8.2973 123.1630 64.9891 31.1117 177.4504 86 T 4.1201 8.0090 109.0180 62.5989 69.2372 173.5187 87 L 4.9065 7.8486 123.7608 52.8692 43.2724 176.7940 88 S 4.3385 8.7172 118.6623 60.1196 63.6506 174.2579 89 Q 4.6462 7.5829 118.1350 52.8755 32.2130 173.0488 90 P 4.5055 0.0000 0.0000 62.8457 32.4806 175.4666 91 K 4.5147 9.2413 124.9550 54.8764 34.1381 174.7900 92 I 4.9529 8.4073 128.0142 59.5028 39.5853 174.9710 93 V 4.3812 8.7422 127.6533 60.7975 33.6001 174.9142 94 K 4.7109 8.7371 127.9159 55.8414 32.9564 176.8410 95 W 4.5433 9.2469 135.0000 57.5365 31.4886 174.8030 96 D 4.5049 8.4711 126.2279 52.2730 42.3845 176.3228 97 R 3.3532 7.5021 126.5179 58.6821 30.3974 176.5403 98 D 4.9941 7.7396 116.7156 53.2835 41.4953 175.6481 99 M 4.3845 7.9157 122.8715 55.7629 33.2442 175.2776 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 0 M 8.30 4.44 0.00 2.13 2.15 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 2.48 2.58 0.00 1 I 8.14 3.61 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.61 0.88 0.00 0.00 2 Q 9.35 4.93 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.58 0.00 3 R 9.38 4.80 0.00 1.89 2.00 0.00 3.18 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 4 T 8.88 4.93 4.29 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 0.00 0.00 0.00 1.24 0.00 0.00 5 P 0.00 4.78 0.00 1.96 1.75 0.00 3.72 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.74 0.00 6 K 9.49 4.46 0.00 1.74 1.81 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.48 7.81 7 I 8.32 5.17 1.91 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 1.31 0.60 0.95 0.00 0.00 8 Q 9.51 4.94 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 9 V 8.45 5.18 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 1.02 0.00 0.00 1.00 0.00 0.00 10 Y 8.39 5.25 0.00 3.18 3.29 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 0.00 0.00 0.00 0.00 11 S 9.18 4.90 0.00 4.36 4.09 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 12 R 9.19 4.14 0.00 1.84 2.28 0.00 3.27 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.50 0.00 13 H 8.60 5.04 0.00 3.32 3.25 0.00 5.73 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 14 P 0.00 4.36 0.00 2.11 2.07 0.00 3.79 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 2.09 2.17 0.00 15 A 8.79 4.27 1.65 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 0.00 0.00 16 E 8.59 4.65 0.00 1.98 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 2.30 2.50 0.00 17 N 8.85 4.67 0.00 2.72 2.79 0.00 0.00 7.26 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 18 G 9.08 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 19 K 7.49 4.54 0.00 1.80 1.67 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.47 7.81 20 S 8.26 4.13 0.00 3.76 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 21 N 8.43 4.86 0.00 2.52 2.47 0.00 0.00 7.10 7.24 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 22 F 8.93 5.22 0.00 3.03 2.90 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 23 L 8.66 4.14 0.00 0.27 0.67 -0.47 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.80 5.37 0.00 1.44 2.01 0.00 0.00 6.01 7.87 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 25 C 9.50 5.35 0.00 2.88 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 26 Y 9.62 5.55 0.00 3.36 3.18 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 27 V 8.84 5.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 1.11 0.00 0.00 28 S 8.93 5.02 0.00 3.87 3.38 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 29 G 8.68 4.39 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 0.00 30 F 7.33 5.20 0.00 3.03 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 31 H 8.90 5.16 0.00 3.31 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 5.08 0.00 2.16 2.19 0.00 3.91 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 33 S 8.46 4.02 0.00 3.18 2.63 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 0.00 0.00 0.00 0.00 34 D 7.90 4.41 0.00 2.65 2.64 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 35 I 7.95 4.66 1.49 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.53 0.81 0.00 0.00 36 E 8.94 4.60 0.00 1.98 1.66 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 2.08 2.14 0.00 37 V 7.99 4.52 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 0.36 0.00 0.00 0.42 0.00 0.00 38 D 8.95 5.00 0.00 2.50 2.44 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 39 L 8.33 5.08 0.00 1.54 1.50 0.87 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.18 5.24 0.00 1.52 1.50 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.00 4.26 0.00 1.78 1.58 0.00 1.92 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.08 0.69 7.81 42 N 10.04 4.12 0.00 2.73 2.78 0.00 0.00 7.21 7.59 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 43 G 8.57 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 0.00 0.00 0.00 *44 E 7.95 4.52 0.00 1.89 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 2.16 2.09 0.00 45 R 8.51 4.35 0.00 1.74 1.87 0.00 3.32 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 46 I 8.63 4.02 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.77 0.92 0.00 0.00 *47 E 8.81 4.14 0.00 1.99 1.85 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 2.22 1.86 0.00 48 K 7.68 4.29 0.00 1.70 1.75 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.36 7.81 49 V 7.51 4.47 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 0.97 0.00 0.00 1.00 0.00 0.00 50 E 8.43 4.62 0.00 1.16 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 2.07 2.04 0.00 51 H 7.77 5.28 0.00 2.24 1.74 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.91 4.53 0.00 3.98 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 53 D 8.52 4.47 0.00 2.70 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 54 L 8.54 3.97 0.00 1.63 1.64 0.82 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.20 4.73 0.00 3.77 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 56 F 7.55 5.17 0.00 2.90 2.49 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 0.00 57 S 9.37 4.67 0.00 4.09 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 *58 K 8.57 3.89 0.00 1.77 1.74 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.02 7.81 59 D 7.82 4.51 0.00 2.76 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 60 W 7.93 3.70 0.00 3.31 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 61 S 8.14 4.38 0.00 3.99 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 62 F 8.55 4.94 0.00 1.51 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 0.00 0.00 0.00 0.00 63 Y 8.30 5.48 0.00 3.00 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 64 L 9.52 5.15 0.00 1.93 1.70 1.18 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.28 5.41 0.00 2.07 1.74 1.11 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.41 5.25 0.00 3.08 2.86 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 67 Y 8.56 5.38 0.00 3.08 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 68 T 8.96 4.99 4.19 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 0.00 0.00 0.00 1.04 0.00 0.00 69 E 8.66 3.94 0.00 1.71 1.55 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 0.00 1.47 2.02 0.00 70 F 9.06 4.86 0.00 2.86 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 71 T 8.16 4.48 4.16 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 1.14 0.00 0.00 72 P 0.00 4.44 0.00 2.11 2.21 0.00 3.30 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.57 0.00 73 T 8.60 4.99 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 1.44 0.00 0.00 *74 E 9.07 4.16 0.00 2.02 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 2.24 1.89 0.00 75 K 7.89 4.40 0.00 1.87 1.98 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.40 7.81 76 D 8.16 4.59 0.00 2.93 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 9.26 4.99 0.00 1.86 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 2.29 2.28 0.00 78 Y 8.81 5.38 0.00 3.08 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 79 A 9.05 5.15 1.25 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 0.00 0.00 80 C 9.37 5.30 0.00 2.96 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 81 R 9.10 5.12 0.00 1.82 1.68 0.00 3.05 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 82 V 9.03 4.77 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 0.56 0.00 0.00 0.80 0.00 0.00 83 N 8.89 5.33 0.00 2.73 2.60 0.00 0.00 6.15 8.54 0.00 0.00 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 H 8.57 4.98 0.00 3.03 3.04 0.00 5.69 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.30 3.58 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 0.72 0.00 0.00 0.91 0.00 0.00 86 T 8.01 4.12 4.31 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 1.39 0.00 0.00 87 L 7.85 4.91 0.00 1.71 1.82 0.90 0.80 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 88 S 8.72 4.34 0.00 3.98 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 89 Q 7.58 4.65 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 90 P 0.00 4.51 0.00 1.91 2.12 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 91 K 9.24 4.51 0.00 1.80 1.63 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.44 7.81 92 I 8.41 4.95 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 1.22 0.76 0.93 0.00 0.00 93 V 8.74 4.38 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 1.14 0.00 0.00 0.97 0.00 0.00 94 K 8.74 4.71 0.00 1.75 1.81 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.48 7.81 95 W 9.25 4.54 0.00 3.30 3.46 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 96 D 8.47 4.50 0.00 2.61 2.42 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 97 R 7.50 3.35 0.00 1.59 1.84 0.00 3.09 0.00 0.00 3.08 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 98 D 7.74 4.99 0.00 2.57 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.92 4.38 0.00 2.03 2.03 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 2.53 2.50 0.00 * Residues marked with a * may have inaccurate shift predictions.