NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3215 8.0327 110.9413 61.1019 70.8519 175.0009 4 T 3.2860 8.0927 117.0230 64.6141 67.4362 172.8709 5 A 4.2711 8.0984 123.2890 53.6704 18.9493 177.5154 6 E 4.1825 8.8104 116.6407 57.3456 29.5842 178.1068 7 Q 4.4221 8.0062 116.9812 59.5888 28.9378 178.0661 8 I 3.3531 7.5257 122.3563 63.7069 37.0309 176.3059 9 P 4.0712 0.0000 0.0000 65.5635 31.1857 178.4680 10 F 4.2836 7.2215 113.8479 60.9338 38.8943 177.8601 11 Q 3.9318 8.2655 117.7202 58.6772 28.3708 178.8026 12 L 3.9239 8.0882 120.3320 57.8426 41.6153 179.5995 13 I 3.5647 7.9325 120.0106 64.1313 37.0368 178.3111 14 L 3.8859 7.9110 121.0031 58.2771 42.0304 178.7610 15 N 4.4031 8.0725 116.2999 56.4538 38.4743 177.6749 16 S 4.2685 8.2863 116.6273 61.4958 62.9769 176.8967 17 G 3.6087 8.1946 108.5034 48.0698 0.0000 175.4487 18 N 4.0056 8.1670 118.9697 55.6190 38.3827 177.4613 19 A 4.1841 8.0406 122.2819 55.0939 18.2839 179.5880 20 R 3.8473 7.9246 116.2044 59.6749 30.2385 178.5565 21 S 4.2135 7.7326 113.4908 61.6398 63.1569 176.2182 22 F 4.7773 8.0410 120.2639 60.7383 38.7549 178.5351 23 A 4.1386 8.1576 116.7741 52.9744 17.9031 178.9301 *25 E 3.9203 8.1526 121.3665 57.8083 31.8092 178.2291 26 A 4.2373 8.1304 120.3372 55.1809 18.3595 179.3961 27 L 3.9637 7.8715 118.5310 58.5361 41.9661 179.2661 28 Q 3.8319 7.8039 116.1635 58.7251 28.8392 178.2986 29 F 4.5135 8.0952 118.6613 60.7831 39.0714 177.4482 30 A 3.9896 8.2223 120.2093 55.2386 17.8804 179.5512 31 K 2.8260 7.6256 117.1768 58.8366 32.2450 178.0816 32 Q 4.3521 7.9981 115.9916 55.4035 29.0744 176.6206 33 G 4.2501 7.8648 108.6154 45.2420 0.0000 173.7421 34 K 4.2013 7.6170 118.8038 55.2115 33.7692 177.2687 *36 A 4.1996 8.4773 124.7923 52.4009 20.5578 179.0031 37 E 3.5695 7.8418 114.5915 59.1107 29.0771 179.0288 38 A 4.1995 7.5727 119.7599 55.5743 18.5868 178.8922 39 D 4.4796 8.0536 115.2975 57.6069 41.3322 178.4654 40 E 4.0520 8.2916 119.3416 58.9675 29.6459 179.7404 41 A 4.1757 8.1566 119.7410 52.3936 18.5157 179.4320 *43 V 3.9323 7.7745 121.8882 64.5209 33.5608 177.7421 44 K 3.8473 7.7549 118.3348 59.2192 31.5899 178.9840 45 A 4.2731 7.9266 121.0111 55.3373 18.3419 179.6350 46 K 3.9357 8.0230 117.4404 59.6808 32.2289 178.6440 47 E 3.9760 8.5848 119.0668 59.4398 29.4146 179.2898 48 A 4.1420 8.3942 120.8734 55.0771 18.4950 179.6318 49 I 3.7273 8.2713 118.8707 64.6514 37.1400 178.0467 50 N 4.3217 8.3199 117.7280 56.6443 38.2643 176.5895 51 E 3.8877 8.0344 119.8251 59.4639 29.7312 179.3186 52 A 4.4226 7.9909 120.0757 55.6522 18.4587 178.9003 53 H 4.0344 8.9234 117.1602 59.9035 29.6778 176.7378 54 H 4.1160 8.5198 119.9478 59.2486 29.6198 177.1786 55 F 4.1895 7.5637 118.9047 60.6851 38.7139 177.4953 56 Q 3.9911 8.0925 118.9335 59.4023 28.8356 178.1039 57 T 3.8106 8.0681 117.0389 66.7918 68.4478 176.1573 58 E 3.9902 7.9452 121.1229 58.9532 29.4480 178.8542 59 L 3.9774 7.8703 119.1874 57.8986 41.7787 179.5705 60 I 3.7023 7.8857 119.7180 64.3898 37.0692 178.4145 61 Q 3.9574 8.5102 121.0880 59.0467 28.9440 178.0567 62 S 4.1142 8.2198 115.5351 61.6790 62.7919 176.1843 63 E 4.1264 8.2644 124.1420 58.3009 29.1644 178.5626 64 A 3.9953 7.8709 119.7243 55.1705 18.5005 179.2793 65 R 4.1073 7.7774 114.7743 57.3681 30.3316 177.7044 66 G 3.8895 8.1345 107.2442 44.9545 0.0000 173.8217 67 E 4.2242 8.1518 120.4229 54.7752 28.5571 175.6647 68 K 4.2064 8.3632 125.5142 56.3594 33.0188 176.3453 69 T 4.4438 8.1269 122.3495 61.7595 70.0284 174.1418 70 E 4.0322 8.5607 126.3282 56.0332 29.9639 176.1657 71 I 4.1250 8.2339 128.0510 60.7525 38.3003 175.8288 72 S 4.7182 8.1386 118.7572 55.5026 67.5999 175.1851 73 V 3.5195 8.1924 120.9508 66.0978 31.2412 177.6616 74 L 3.8675 7.7682 119.4896 57.8965 41.8608 178.3359 75 L 3.8048 7.6796 120.0310 58.2934 42.0269 178.8169 76 I 3.6455 7.5500 119.4318 64.8025 37.0937 177.6097 77 H 4.1022 8.7110 118.9023 59.4713 29.4719 176.9596 78 A 3.9686 8.4111 122.6272 55.3759 17.9695 179.6902 79 Q 3.9783 8.1045 115.6582 59.0534 28.8015 178.3024 80 D 4.4876 7.9277 119.3553 57.6259 41.0948 178.1393 81 H 4.2789 8.1727 116.7423 58.6180 28.6471 177.9088 82 L 4.3386 7.5451 119.3694 55.9399 41.6432 178.1220 *84 N 4.7158 8.1937 116.7536 52.7767 40.7920 176.6825 85 A 4.0055 8.3043 119.9590 55.2058 18.4324 179.5485 86 I 3.6815 8.2023 118.7003 65.1456 37.2598 178.8907 87 T 3.9554 7.8727 115.8742 66.3460 68.3321 176.9759 88 V 3.6129 8.1528 120.5892 65.8345 31.7355 177.7132 89 K 3.8659 8.3048 119.7184 59.7839 31.5738 178.1518 90 E 3.9673 8.3402 119.2354 59.3261 29.5780 178.5883 91 L 4.2236 8.2321 118.3639 56.9928 41.7834 178.9980 92 A 4.2763 8.8368 121.2919 55.1977 18.2813 179.4887 93 A 4.0515 8.1122 119.0787 55.3572 18.4480 179.7386 94 E 3.9180 7.8712 115.9554 59.5059 29.4451 179.6066 95 F 4.1671 8.3457 117.9040 60.5629 38.9135 177.6668 96 I 3.9557 8.4302 119.8981 64.6488 36.8705 178.1155 97 D 4.3974 8.2383 119.5620 57.4123 40.6679 178.7995 98 L 3.9181 7.9789 119.3126 58.0903 41.6270 179.3396 99 Y 4.1481 8.1778 116.5275 61.0773 37.8702 178.5343 100 K 4.0181 8.5173 119.7448 59.2740 32.0921 179.1189 101 K 3.8843 8.4459 120.1640 59.7431 31.9507 178.7688 102 L 4.0382 7.8232 117.6256 57.7406 41.9072 179.1855 103 E 4.1225 8.4286 118.2411 59.5202 29.2805 179.0833 104 A 4.0606 7.8233 119.4777 55.1228 18.5607 179.3171 105 K 4.2531 7.9289 114.4910 57.6515 32.8634 177.4226 106 G 3.6237 7.6946 114.7126 46.2530 0.0000 172.1866 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 3 T 8.03 4.32 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 1.22 0.00 0.00 4 T 8.09 3.29 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 1.23 0.00 0.00 5 A 8.10 4.27 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 6 E 8.81 4.18 0.00 2.03 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 0.00 2.27 2.25 0.00 7 Q 8.01 4.42 0.00 2.37 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.68 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 8 I 7.53 3.35 1.95 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 1.57 0.58 0.82 0.00 0.00 9 P 0.00 4.07 0.00 1.75 1.89 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 10 F 7.22 4.28 0.00 3.18 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 11 Q 8.27 3.93 0.00 1.61 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 12 L 8.09 3.92 0.00 1.78 1.66 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.93 3.56 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 1.28 0.63 0.74 0.00 0.00 14 L 7.91 3.89 0.00 1.87 1.65 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.07 4.40 0.00 3.02 3.15 0.00 0.00 7.12 7.57 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 16 S 8.29 4.27 0.00 3.92 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 17 G 8.19 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.17 4.01 0.00 2.84 2.45 0.00 0.00 6.97 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 19 A 8.04 4.18 1.57 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 0.00 0.00 20 R 7.92 3.85 0.00 1.94 2.15 0.00 3.29 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 21 S 7.73 4.21 0.00 3.71 3.76 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 22 F 8.04 4.78 0.00 3.29 3.20 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 23 A 8.16 4.14 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 3.92 0.00 2.36 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 2.19 2.50 0.00 26 A 8.13 4.24 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 3.96 0.00 1.78 1.62 0.61 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.80 3.83 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 29 F 8.10 4.51 0.00 3.25 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 30 A 8.22 3.99 1.46 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 0.00 0.00 31 K 7.63 2.83 0.00 1.45 1.82 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 0.99 7.81 32 Q 8.00 4.35 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.55 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 33 G 7.86 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 0.00 0.00 0.00 0.00 34 K 7.62 4.20 0.00 2.02 1.78 0.00 1.79 0.00 0.00 2.06 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.46 7.81 *36 A 8.48 4.20 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 37 E 7.84 3.57 0.00 1.25 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 1.69 1.97 0.00 38 A 7.57 4.20 1.47 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 0.00 0.00 0.00 39 D 8.05 4.48 0.00 2.77 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 40 E 8.29 4.05 0.00 2.04 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 2.21 2.25 0.00 41 A 8.16 4.18 1.67 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 0.00 0.00 0.00 0.00 0.00 0.00 *43 V 7.77 3.93 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 1.03 0.00 0.00 0.93 0.00 0.00 44 K 7.75 3.85 0.00 1.31 0.74 0.00 1.51 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.06 1.17 7.81 45 A 7.93 4.27 1.57 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 0.00 0.00 46 K 8.02 3.94 0.00 1.85 1.92 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.54 7.81 47 E 8.58 3.98 0.00 2.17 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 2.32 2.49 0.00 48 A 8.39 4.14 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.27 3.73 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.98 0.95 0.00 0.00 50 N 8.32 4.32 0.00 2.85 3.00 0.00 0.00 7.25 6.95 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 51 E 8.03 3.89 0.00 2.31 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 2.60 2.56 0.00 52 A 7.99 4.42 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.92 4.03 0.00 3.42 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.52 4.12 0.00 3.29 3.19 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.56 4.19 0.00 3.36 3.03 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 56 Q 8.09 3.99 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 57 T 8.07 3.81 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 58 E 7.95 3.99 0.00 1.92 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 0.00 2.30 2.40 0.00 59 L 7.87 3.98 0.00 1.97 1.71 0.94 0.86 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 60 I 7.89 3.70 1.86 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 1.40 0.96 0.91 0.00 0.00 61 Q 8.51 3.96 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 62 S 8.22 4.11 0.00 4.21 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 0.00 63 E 8.26 4.13 0.00 2.00 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 0.00 2.31 2.19 0.00 64 A 7.87 4.00 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 65 R 7.78 4.11 0.00 2.06 2.00 0.00 3.13 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 66 G 8.13 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 67 E 8.15 4.22 0.00 2.21 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 0.00 2.31 2.24 0.00 68 K 8.36 4.21 0.00 1.69 1.71 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.52 7.81 69 T 8.13 4.44 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 1.20 0.00 0.00 70 E 8.56 4.03 0.00 1.90 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 2.28 2.37 0.00 71 I 8.23 4.13 1.86 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 1.46 0.93 0.89 0.00 0.00 72 S 8.14 4.72 0.00 3.92 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 73 V 8.19 3.52 2.04 0.00 0.00 0.00 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 0.90 0.00 0.00 74 L 7.77 3.87 0.00 1.62 1.60 0.78 -0.53 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 75 L 7.68 3.80 0.00 1.76 1.79 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.55 3.65 2.01 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 1.39 0.50 0.91 0.00 0.00 77 H 8.71 4.10 0.00 3.26 3.51 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.41 3.97 1.35 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 79 Q 8.10 3.98 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.59 2.39 0.00 80 D 7.93 4.49 0.00 2.81 2.67 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 0.00 0.00 0.00 0.00 81 H 8.17 4.28 0.00 3.31 3.30 0.00 5.62 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 82 L 7.55 4.34 0.00 1.75 1.78 1.00 0.78 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 *84 N 8.19 4.72 0.00 2.91 2.89 0.00 0.00 6.90 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 85 A 8.30 4.01 1.49 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 0.00 0.00 86 I 8.20 3.68 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.99 0.95 0.00 0.00 87 T 7.87 3.96 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 1.24 0.00 0.00 88 V 8.15 3.61 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 1.04 0.00 0.00 1.06 0.00 0.00 89 K 8.30 3.87 0.00 1.97 2.02 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.53 7.81 90 E 8.34 3.97 0.00 2.32 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 0.00 2.32 2.37 0.00 91 L 8.23 4.22 0.00 1.86 1.76 0.96 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.84 4.28 1.49 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 0.00 0.00 93 A 8.11 4.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 7.87 3.92 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 95 F 8.35 4.17 0.00 3.36 3.23 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 0.00 96 I 8.43 3.96 2.12 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 1.66 1.00 1.01 0.00 0.00 97 D 8.24 4.40 0.00 2.88 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 98 L 7.98 3.92 0.00 1.75 1.46 0.65 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.18 4.15 0.00 3.24 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 0.00 100 K 8.52 4.02 0.00 1.98 1.91 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.72 7.81 101 K 8.45 3.88 0.00 1.91 2.01 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 102 L 7.82 4.04 0.00 1.88 1.77 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.43 4.12 0.00 2.27 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 2.38 2.53 0.00 104 A 7.82 4.06 1.38 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 0.00 105 K 7.93 4.25 0.00 1.92 1.95 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.61 1.46 7.81 106 G 7.69 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.