NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4938 8.1633 118.3343 55.2860 33.6933 173.1087 2 L 5.5050 8.3314 118.3719 52.2854 43.2758 175.0918 3 R 4.6811 8.7440 123.2464 54.7548 33.5868 174.7091 4 T 4.9910 8.3487 116.4156 61.2860 68.9439 173.6037 5 M 5.0583 9.1209 127.0351 53.3880 37.4695 173.8387 6 L 3.5050 8.6391 122.4532 55.9957 42.0374 176.1044 7 K 4.3041 8.5989 128.9440 58.2936 33.8732 176.1366 8 S 5.0068 8.0843 112.5332 57.2887 67.1202 173.4724 9 K 5.1810 8.3990 119.6400 56.7755 36.3433 174.2507 10 I 4.5319 8.3346 129.2069 60.1825 38.0095 174.3210 11 H 4.6344 9.0844 129.2583 55.5793 30.7178 175.4718 12 R 4.2826 8.5561 126.0438 57.2695 26.9259 176.4529 13 A 4.4774 7.5614 118.4241 52.1139 20.3219 177.6000 14 T 4.7830 8.5004 117.1196 61.7243 70.2959 174.9183 15 V 3.5780 8.8595 127.1029 63.7321 31.8280 176.3546 16 T 4.0163 8.6188 125.5547 66.3016 68.0145 175.0997 17 C 5.0524 7.3511 114.6649 58.4317 33.7145 171.0830 18 A 4.6867 8.0384 115.5468 51.9883 21.5366 175.9379 19 D 4.5736 8.2500 122.2593 52.4732 44.3307 175.7331 20 L 4.1182 8.9716 128.4618 58.2192 43.1793 176.7728 21 H 4.8341 8.4627 113.8287 55.2756 30.2709 170.0458 22 Y 3.1948 8.4173 130.1848 57.1137 39.3671 169.2188 23 V 4.3331 7.4536 126.1558 61.8611 33.3360 174.9712 24 G 4.2491 8.7997 110.9665 44.9309 0.0000 176.5252 25 S 3.1456 8.0708 117.3374 58.6035 63.6624 173.8281 26 V 4.8327 5.4500 119.5557 61.0259 34.4402 173.3731 27 T 5.0455 8.8804 119.7765 60.7214 69.9532 173.8359 28 I 4.8477 8.8672 128.0191 58.7968 40.4990 174.7555 29 D 4.5889 8.4374 124.4975 55.2320 41.7241 176.5929 30 A 3.9814 8.8358 128.5502 55.9171 18.3331 178.9884 31 D 4.3773 8.4087 116.7523 57.9284 40.9244 179.6070 32 L 4.0196 8.2812 119.2805 58.0414 41.5362 179.4706 33 M 4.1705 7.8829 118.2178 58.2311 31.8258 178.5055 34 D 4.3168 8.2676 118.9407 57.1839 40.8895 178.4059 35 A 3.8504 8.0779 121.1550 55.2411 18.3388 178.2566 36 A 4.1905 8.3933 115.2944 51.4480 18.9251 176.7775 37 D 4.3560 7.9618 113.9763 54.7511 39.2869 171.8655 38 L 4.9503 9.2559 121.1312 52.4303 46.0270 175.9544 39 L 4.5938 8.7870 122.8128 52.4554 43.3863 176.0159 40 E 3.8020 8.7177 123.2422 58.6014 29.4506 175.5702 41 G 3.8240 10.3501 117.5104 45.9657 0.0000 170.9692 42 E 4.7573 8.1119 121.6516 54.6836 33.2148 174.5188 43 Q 4.5378 9.1967 128.5417 56.9316 29.6786 175.5419 44 V 4.7597 10.0457 126.4613 61.4372 35.2931 174.0656 45 T 5.1843 9.1971 122.8594 61.9092 71.5503 173.3070 46 I 5.0587 8.4850 125.5422 59.5975 40.7938 174.9269 47 V 4.7918 8.6245 119.3054 59.6335 35.2870 174.3385 48 D 4.8238 8.6138 126.2734 53.0461 41.0356 176.5126 49 I 3.7895 8.6140 128.7571 64.7440 37.0934 177.9372 50 D 4.5252 8.3887 120.6289 56.7061 40.9225 176.7587 51 N 4.9277 8.6488 113.9677 51.7497 38.2637 174.2931 52 G 3.9407 8.8082 104.8397 46.8490 0.0000 174.1293 53 A 4.3634 7.6532 120.8214 51.8734 20.0747 178.1447 54 R 5.4819 8.0754 117.4762 55.8437 33.8329 174.7297 55 L 4.9627 8.6348 122.9240 52.7900 46.6086 175.6079 56 V 4.8292 8.0686 118.9515 61.8974 33.7880 174.0736 57 T 4.7031 9.0986 121.8989 61.5683 71.6693 171.6432 58 Y 5.1850 8.9592 121.0139 55.5872 40.5209 173.9303 59 A 5.0208 8.6681 120.5904 50.1707 22.4087 175.2346 60 I 4.8000 9.0794 122.5756 59.3855 40.3457 175.2708 61 T 4.1928 8.4971 123.4055 64.0396 69.0028 174.5280 62 G 4.0941 9.8097 115.1527 44.1118 0.0000 172.0648 63 E 4.4855 8.5498 120.5198 56.0129 30.3769 176.7948 64 R 4.2458 8.6653 123.5993 57.0933 31.0318 178.9117 65 G 3.5602 9.1563 109.0993 47.1650 0.0000 175.2980 66 S 4.1377 8.8084 114.5271 59.0326 62.9138 174.8711 67 G 4.0491 8.3873 108.9781 46.2337 0.0000 173.7012 68 V 3.6971 7.1269 117.1796 63.2625 33.0223 175.5151 69 I 4.8469 8.0970 124.4865 60.6370 40.4442 172.7518 70 G 4.2964 8.9130 113.2445 44.2712 0.0000 170.0235 71 I 4.8298 7.8735 124.3757 59.5781 38.9756 174.1383 72 N 4.9255 10.0833 125.9569 52.5902 39.7380 172.8392 73 G 4.0976 10.0466 117.4480 45.7303 0.0000 171.1283 74 A 3.8110 8.4063 127.7933 53.3110 17.5096 178.9226 75 A 4.1339 7.5933 115.0485 53.3435 18.7234 179.1950 76 A 4.1375 7.9731 118.5521 54.5515 18.7740 177.3569 77 H 4.6881 8.3408 113.0463 55.6215 30.3972 172.9504 78 L 3.7459 8.0968 119.6264 55.3543 40.2665 174.3535 79 V 4.3584 7.3477 116.9419 61.5447 32.8419 174.9662 80 H 5.0880 8.5255 121.8736 53.0271 32.7216 171.1970 81 P 4.4222 0.0000 0.0000 63.7818 31.5410 177.2801 82 G 3.9265 8.7015 107.9295 46.1723 0.0000 173.2015 83 D 4.9994 7.5328 119.0791 52.8547 43.0646 175.6706 84 L 4.8637 9.9613 124.5604 54.1628 42.7924 176.3743 85 V 5.0972 8.7055 117.0607 59.4290 36.1691 174.5520 86 I 4.8680 8.5920 120.9562 59.8100 41.0959 174.7973 87 L 5.2908 8.5169 126.0588 53.2497 44.0074 175.6618 88 I 5.0719 8.9525 123.4573 59.4422 41.8586 174.2153 89 A 4.7983 8.7066 127.0833 50.7181 21.6337 174.9023 90 Y 4.9888 9.0618 123.8202 58.9231 39.7289 174.2709 91 A 5.1247 8.2611 129.0526 52.9827 21.8254 176.6948 92 T 4.6176 8.5696 113.8662 62.1601 70.1254 173.7061 93 M 4.9011 9.2067 123.1141 53.6778 37.6307 173.6840 94 D 4.8472 8.5492 119.4323 53.8102 41.9551 176.4899 95 D 4.3006 8.7866 126.4168 57.2529 41.5284 178.5574 96 A 4.1404 7.8148 120.0966 55.4262 17.0926 179.5723 97 R 3.7781 7.9701 115.4324 59.1286 29.9019 178.6905 98 A 4.0892 7.8859 119.8924 56.1066 18.3905 179.2557 99 R 4.0917 7.6533 114.5523 57.8835 30.1860 176.9638 100 T 4.4110 7.2189 113.1712 60.8702 69.3055 173.8940 101 Y 4.8450 8.1893 124.5271 56.8644 41.6370 173.4373 102 Q 4.3024 8.8688 126.7090 53.5164 29.0079 173.4893 103 P 3.8902 0.0000 0.0000 62.1387 32.3464 177.4454 104 R 4.0043 8.6338 123.7549 56.5756 29.6830 174.6387 105 I 4.5357 7.7947 124.1119 59.4630 39.1329 175.3989 106 V 3.9969 8.4452 127.2482 60.8992 33.2562 174.8600 107 F 5.2044 7.9887 126.8089 57.4582 39.8509 175.1778 108 V 4.7337 7.8847 119.5414 59.9445 34.9267 174.6903 109 D 4.5049 8.7582 120.0647 53.5260 41.8053 176.8098 110 A 4.2053 8.2669 124.8922 54.1347 18.3724 177.8272 111 Y 4.8393 8.2787 112.5072 56.9319 38.5985 173.9548 112 N 4.2465 8.7945 122.2411 53.5141 35.5654 173.1766 113 K 4.3942 8.2759 121.1159 57.5340 36.9504 175.5903 *114 P 4.2215 0.0000 0.0000 62.2793 31.3818 178.3225 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 8.16 4.49 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 2 L 8.33 5.50 0.00 1.61 1.64 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.74 4.68 0.00 1.78 1.85 0.00 3.14 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 4 T 8.35 4.99 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 1.19 0.00 0.00 5 M 9.12 5.06 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 6 L 8.64 3.51 0.00 1.40 1.51 0.61 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.60 4.30 0.00 2.01 2.11 0.00 1.83 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.57 7.81 8 S 8.08 5.01 0.00 3.90 3.84 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 0.00 0.00 0.00 9 K 8.40 5.18 0.00 1.74 1.54 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.22 7.81 10 I 8.33 4.53 1.87 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 1.21 0.95 0.92 0.00 0.00 11 H 9.08 4.63 0.00 3.37 3.54 0.00 5.88 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.56 4.28 0.00 1.91 1.97 0.00 3.14 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.03 0.00 13 A 7.56 4.48 1.28 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 0.00 0.00 0.00 14 T 8.50 4.78 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 1.24 0.00 0.00 15 V 8.86 3.58 2.23 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 1.11 0.00 0.00 1.00 0.00 0.00 16 T 8.62 4.02 4.40 0.00 0.00 0.00 0.00 0.00 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 17 C 7.35 5.05 0.00 2.94 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 18 A 8.04 4.69 1.23 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 0.00 0.00 19 D 8.25 4.57 0.00 2.76 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.97 4.12 0.00 1.86 1.73 1.05 1.04 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 21 H 8.46 4.83 0.00 3.19 3.32 0.00 6.08 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 22 Y 8.42 3.19 0.00 3.16 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 23 V 7.45 4.33 2.02 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 0.96 0.00 0.00 0.91 0.00 0.00 24 G 8.80 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 25 S 8.07 3.15 0.00 3.56 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 26 V 5.45 4.83 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 0.95 0.00 0.00 0.84 0.00 0.00 27 T 8.88 5.05 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 1.30 0.00 0.00 28 I 8.87 4.85 1.87 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 1.10 0.91 0.91 0.00 0.00 29 D 8.44 4.59 0.00 2.71 2.58 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 30 A 8.84 3.98 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 31 D 8.41 4.38 0.00 2.86 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 32 L 8.28 4.02 0.00 1.86 1.71 0.93 1.11 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 33 M 7.88 4.17 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 34 D 8.27 4.32 0.00 2.70 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 35 A 8.08 3.85 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 36 A 8.39 4.19 1.29 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 0.00 0.00 37 D 7.96 4.36 0.00 2.72 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 38 L 9.26 4.95 0.00 1.57 1.50 0.91 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.79 4.59 0.00 1.63 1.59 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.72 3.80 0.00 1.96 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 2.36 2.40 0.00 41 G 10.35 3.82 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 0.00 0.00 0.00 42 E 8.11 4.76 0.00 2.20 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 2.21 2.22 0.00 43 Q 9.20 4.54 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.51 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 44 V 10.05 4.76 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 0.92 0.00 0.00 1.05 0.00 0.00 45 T 9.20 5.18 4.48 0.00 0.00 0.00 0.00 0.00 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 46 I 8.49 5.06 1.87 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 1.22 0.74 0.91 0.00 0.00 47 V 8.62 4.79 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 0.72 0.00 0.00 0.98 0.00 0.00 48 D 8.61 4.82 0.00 2.72 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 49 I 8.61 3.79 2.03 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 1.23 0.53 0.91 0.00 0.00 50 D 8.39 4.53 0.00 2.77 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 51 N 8.65 4.93 0.00 2.73 2.83 0.00 0.00 6.99 6.54 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 52 G 8.81 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 53 A 7.65 4.36 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 54 R 8.08 5.48 0.00 1.67 1.83 0.00 3.21 0.00 0.00 3.90 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 55 L 8.63 4.96 0.00 1.54 1.52 0.90 0.75 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 56 V 8.07 4.83 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 0.81 0.00 0.00 0.95 0.00 0.00 57 T 9.10 4.70 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 1.14 0.00 0.00 58 Y 8.96 5.19 0.00 3.10 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 59 A 8.67 5.02 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 60 I 9.08 4.80 1.86 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.03 0.97 0.00 0.00 61 T 8.50 4.19 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 1.23 0.00 0.00 62 G 9.81 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 0.00 0.00 0.00 63 E 8.55 4.49 0.00 1.99 1.86 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 2.29 2.35 0.00 64 R 8.67 4.25 0.00 1.81 1.97 0.00 3.33 0.00 0.00 3.44 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 65 G 9.16 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.81 4.14 0.00 3.95 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 67 G 8.39 4.05 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 0.00 0.00 0.00 68 V 7.13 3.70 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 0.95 0.00 0.00 0.93 0.00 0.00 69 I 8.10 4.85 2.01 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 1.16 0.57 0.91 0.00 0.00 70 G 8.91 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 0.00 0.00 0.00 71 I 7.87 4.83 1.87 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 1.20 0.76 0.93 0.00 0.00 72 N 10.08 4.93 0.00 2.67 3.02 0.00 0.00 7.04 7.53 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 73 G 10.05 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.41 3.81 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 75 A 7.59 4.13 1.29 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 0.00 0.00 76 A 7.97 4.14 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 77 H 8.34 4.69 0.00 3.07 3.32 0.00 5.83 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 78 L 8.10 3.75 0.00 1.76 1.68 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.35 4.36 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 0.81 0.00 0.00 0.90 0.00 0.00 80 H 8.53 5.09 0.00 3.52 3.12 0.00 5.67 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.42 0.00 2.05 1.99 0.00 3.83 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 2.25 0.00 82 G 8.70 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 0.00 0.00 0.00 83 D 7.53 5.00 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.96 4.86 0.00 1.50 1.59 0.91 0.75 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 85 V 8.71 5.10 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 0.79 0.00 0.00 0.93 0.00 0.00 86 I 8.59 4.87 1.90 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 1.27 1.07 1.01 0.00 0.00 87 L 8.52 5.29 0.00 1.62 1.56 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.95 5.07 1.87 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 1.11 0.94 0.49 0.00 0.00 89 A 8.71 4.80 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 90 Y 9.06 4.99 0.00 2.96 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 91 A 8.26 5.12 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 92 T 8.57 4.62 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 93 M 9.21 4.90 0.00 1.84 1.95 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.47 0.00 94 D 8.55 4.85 0.00 2.73 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.79 4.30 0.00 2.78 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 96 A 7.81 4.14 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 97 R 7.97 3.78 0.00 1.69 1.81 0.00 3.24 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.57 0.00 98 A 7.89 4.09 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 99 R 7.65 4.09 0.00 1.85 1.97 0.00 3.16 0.00 0.00 3.29 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 100 T 7.22 4.41 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 1.23 0.00 0.00 101 Y 8.19 4.85 0.00 3.01 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 0.00 102 Q 8.87 4.30 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 103 P 0.00 3.89 0.00 1.73 1.89 0.00 3.50 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.81 0.00 104 R 8.63 4.00 0.00 1.66 1.81 0.00 3.37 0.00 0.00 3.11 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 105 I 7.79 4.54 1.56 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 1.09 0.58 0.60 0.00 0.00 106 V 8.45 4.00 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 0.94 0.00 0.00 0.83 0.00 0.00 107 F 7.99 5.20 0.00 3.01 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 0.00 108 V 7.88 4.73 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 0.71 0.00 0.00 0.95 0.00 0.00 109 D 8.76 4.50 0.00 2.71 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 0.00 110 A 8.27 4.21 1.06 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 0.00 0.00 111 Y 8.28 4.84 0.00 3.00 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 0.00 112 N 8.79 4.25 0.00 2.88 2.91 0.00 0.00 6.66 7.67 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 0.00 113 K 8.28 4.39 0.00 1.71 1.79 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.51 7.81 *114 P 0.00 4.22 0.00 1.83 1.86 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.