NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.5483 8.1776 115.4190 57.7226 64.6425 174.2988 9 R 3.8508 8.6673 117.5802 59.6087 28.9537 177.5180 10 T 3.9505 8.7435 117.3663 66.3161 68.9946 177.7060 11 E 4.0328 8.0182 120.3482 59.2903 29.5039 179.4388 12 L 4.0892 8.2728 119.2250 57.8714 41.7542 179.4403 13 L 4.1161 8.3446 119.2441 58.2701 41.6680 179.7705 14 T 3.9100 7.9971 115.5510 66.2472 68.3277 176.4681 15 W 4.0534 8.2030 130.1167 60.3948 30.7402 177.7335 16 L 3.0558 8.4691 120.5843 58.0424 41.5362 178.6546 17 N 4.2138 8.4964 116.9300 56.1675 38.1706 177.7139 18 G 3.4600 7.8289 106.9840 47.3631 0.0000 175.5976 19 L 3.5832 7.2700 121.8302 57.2185 42.0616 178.3048 20 L 4.4159 7.2860 114.8487 52.9346 43.1091 175.8967 21 N 4.0436 7.3038 115.9466 54.9610 37.4297 172.2789 22 L 4.7424 7.5640 117.0433 53.2099 45.2008 176.1685 23 N 5.1136 8.2082 115.4751 53.2932 39.0908 173.9788 24 Y 4.6833 8.6293 115.6231 58.1554 38.8708 176.5265 25 K 4.5724 9.4662 122.0085 56.4682 34.4562 176.9197 26 K 4.8161 7.8717 116.8060 53.5285 36.0734 177.0879 27 I 3.8461 8.7522 122.8104 64.7954 36.9719 178.3811 28 E 3.9764 8.5417 118.8353 59.6706 29.2837 179.0656 29 E 3.7189 8.1062 118.0414 58.7863 29.3402 178.3634 30 C 4.3445 8.2431 116.5067 60.9553 27.8565 175.5505 31 G 3.7697 7.9690 108.4407 46.9468 0.0000 175.4176 32 T 2.7077 6.9399 110.2709 62.2235 68.8247 176.4342 33 G 3.2614 7.6558 110.0476 45.7248 0.0000 175.5762 34 A 3.7553 7.2271 121.5933 55.1546 18.2407 179.4835 35 A 3.9122 7.5004 118.7082 55.4356 18.2249 179.1524 36 Y 4.5371 7.5610 113.7370 61.6529 38.1114 178.2410 37 C 4.4415 7.9063 116.1184 63.1684 28.5756 175.9123 38 Q 4.3139 8.3575 120.8103 58.7577 28.1618 178.4100 39 I 4.0026 7.9529 119.6319 61.7295 36.9680 177.2826 *41 D 4.6826 8.1389 122.0310 54.3123 42.7931 177.5881 42 S 2.7900 7.8338 112.7914 60.4640 63.1278 175.6136 43 I 3.7170 7.3816 120.6582 63.3970 37.0314 176.3547 44 Y 4.2505 7.8908 116.4333 57.2394 39.0322 177.0185 45 G 4.2247 8.6124 106.8790 46.3744 0.0000 173.3225 46 D 5.0135 7.7589 116.4290 52.5148 39.8758 175.7891 47 L 4.3876 7.9146 119.7440 54.1831 42.5495 175.1668 48 P 4.4837 0.0000 0.0000 62.5842 32.3461 176.8268 *50 N 4.6167 8.4975 116.7494 53.1283 40.3292 175.5463 51 R 4.3935 7.9494 114.8145 55.9848 30.8845 176.5240 52 V 3.9575 7.5907 118.9160 62.3764 32.0430 176.4900 53 K 4.3687 8.9040 128.3488 55.0860 30.5222 176.3234 54 F 3.8935 8.7231 125.2331 60.4297 40.2672 175.8994 55 N 4.9277 7.9668 115.9530 52.0928 38.1769 174.3797 56 A 4.4520 7.4831 120.5249 52.2357 20.0683 177.8560 57 T 4.6560 8.4879 113.8109 62.7120 71.2959 174.1989 58 A 4.3843 7.3941 124.8319 49.9577 20.7842 177.4518 59 E 2.8404 8.2660 122.7756 59.1380 29.6486 178.9477 60 Y 4.2028 7.7494 117.1007 59.8673 37.8675 178.0169 61 E 3.7522 7.1278 120.6157 58.9355 29.5069 179.0020 62 F 4.6351 7.5209 118.8704 60.0668 39.0145 177.0909 63 Q 4.1899 8.3186 119.3305 59.7388 28.8030 178.7596 64 T 3.9759 7.5741 115.8997 66.6577 68.3856 176.4487 65 N 4.3367 7.9613 118.2968 56.6456 38.5769 177.1587 66 Y 4.0511 8.1822 118.0841 60.8586 37.8857 178.6067 67 K 4.2401 8.3301 119.7137 59.3098 32.1031 179.5312 68 I 3.7868 7.9068 120.3924 64.1362 37.0422 178.2091 69 L 4.1000 8.2055 121.5030 58.3835 41.9900 179.0346 70 Q 3.8900 8.6291 118.3712 59.1100 28.5831 179.0345 71 S 4.1857 8.3656 116.2650 61.5239 62.8177 176.3335 72 C 4.1181 8.1613 121.5035 62.5393 31.3846 175.5489 73 F 4.0191 8.6379 119.4211 60.6197 38.6031 177.6700 74 S 4.0878 8.3632 112.6347 61.4146 62.0383 175.9800 75 R 3.8562 8.1220 120.4583 59.5117 29.8651 177.2432 76 H 4.6992 7.8941 112.4999 54.7067 28.9659 175.3597 77 G 3.8747 7.7050 108.4371 46.4974 0.0000 174.0759 78 I 3.9845 8.0379 121.7150 60.5858 37.2181 176.4977 79 E 4.1652 8.7823 125.3541 57.8582 29.9406 177.2596 80 K 3.5710 8.0888 119.4289 56.8332 32.3738 176.0945 81 T 3.8322 7.8349 115.2021 61.2563 69.5365 174.7735 82 V 3.5381 7.2299 121.9125 61.4312 32.7595 174.6342 83 Y 4.4534 7.1773 126.4372 55.9882 36.8944 176.4112 84 V 2.8393 7.9891 124.0046 65.8373 31.4859 176.5743 85 D 4.4235 8.0233 116.5923 56.6593 38.7431 178.4728 86 K 4.1206 7.9617 119.3137 58.9400 32.2356 179.3306 87 L 4.0064 7.5152 118.7871 57.6534 41.5145 179.0273 88 I 4.1026 7.6011 118.8077 62.8504 37.3708 177.0818 89 R 4.2823 7.5329 117.4446 55.8954 29.8669 176.2422 90 C 3.8722 8.0420 115.5460 60.4400 26.0439 173.2547 91 K 4.2260 7.3229 117.0537 55.8991 32.6067 176.9170 92 F 4.1557 9.0035 128.0166 61.6297 39.3479 177.0180 93 Q 3.8177 8.3068 118.2843 59.4202 28.8960 178.1739 94 D 4.3960 8.0427 119.1147 57.6482 40.5583 178.4948 95 N 4.6263 7.9261 116.2282 55.8898 38.5169 177.2957 96 L 3.8512 7.9308 122.2210 58.2532 42.1941 178.9493 97 E 4.2964 8.1209 119.7610 58.8952 29.2990 179.2253 98 F 4.2132 8.3270 120.7659 61.1890 39.3994 177.0228 99 L 4.0308 8.4333 120.3000 58.1177 41.4186 178.9435 100 Q 3.8925 8.2554 118.1496 58.7069 28.6191 178.6412 101 W 3.9903 8.1092 129.2045 60.3143 30.6933 177.9315 102 L 3.5593 8.1350 119.2630 57.6068 40.9752 179.3657 103 K 3.5941 8.0213 119.5495 59.3246 31.9454 179.0038 104 K 3.7679 7.3616 118.7993 59.4687 31.8502 178.8320 105 H 3.7434 7.5003 118.6572 58.6563 29.5969 177.1104 106 W 3.9700 8.4409 130.5435 60.5348 30.3816 177.8229 107 I 3.4355 7.8712 118.6380 64.5571 36.6502 178.1522 108 R 3.8397 7.7174 117.9105 58.4673 29.9718 176.5356 109 H 4.4719 7.6879 113.1706 55.0558 30.6521 174.3517 110 K 3.5742 7.5844 122.3713 56.0826 32.1727 176.4262 111 D 4.6212 7.9520 126.7929 52.3948 41.7735 175.4865 112 E 4.0403 8.5548 117.3611 59.2242 29.7722 177.8193 113 S 4.2507 7.9197 113.1905 58.3112 63.3868 174.4036 114 V 4.0653 8.0917 121.4531 61.1624 32.4603 174.6838 115 Y 4.6317 8.4607 122.4654 55.7364 41.0971 175.3865 116 D 4.5448 7.5280 126.3257 51.4092 41.5526 174.4166 117 P 3.9139 0.0000 0.0000 65.5968 31.3241 178.0614 118 D 3.9283 7.7526 117.7645 56.8991 40.8601 178.4337 119 A 3.1569 7.5909 121.1069 54.9386 18.1008 179.9220 120 R 3.8027 7.4121 115.4378 58.5474 30.1790 178.4137 121 R 4.1517 7.1286 116.3115 54.5264 30.1898 176.4530 122 K 3.8966 8.1806 117.0182 57.8334 30.0962 174.6934 123 Y 3.4105 7.3658 111.4106 59.1761 36.0464 170.8644 124 R 4.2201 7.5141 123.8391 56.4615 30.2577 176.5971 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 8 S 8.18 4.55 0.00 4.09 4.15 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 0.00 0.00 0.00 9 R 8.67 3.85 0.00 2.37 2.64 0.00 3.18 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 10 T 8.74 3.95 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 1.25 0.00 0.00 11 E 8.02 4.03 0.00 2.13 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 0.00 2.36 2.38 0.00 12 L 8.27 4.09 0.00 1.92 1.85 0.95 0.78 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 13 L 8.34 4.12 0.00 1.84 1.81 1.05 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.00 3.91 4.45 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 1.25 0.00 0.00 15 W 8.20 4.05 0.00 3.35 3.39 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 16 L 8.47 3.06 0.00 1.86 1.73 0.66 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.50 4.21 0.00 2.73 2.87 0.00 0.00 6.96 7.37 0.00 0.00 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 7.83 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 0.00 0.00 0.00 19 L 7.27 3.58 0.00 0.47 0.94 0.35 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.29 4.42 0.00 1.44 1.60 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.30 4.04 0.00 2.80 2.73 0.00 0.00 6.94 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 22 L 7.56 4.74 0.00 1.42 1.12 0.29 0.79 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 23 N 8.21 5.11 0.00 2.64 2.78 0.00 0.00 6.99 7.54 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 24 Y 8.63 4.68 0.00 2.98 2.83 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 0.00 0.00 0.00 25 K 9.47 4.57 0.00 1.68 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.54 7.81 26 K 7.87 4.82 0.00 1.76 1.93 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.44 7.81 27 I 8.75 3.85 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.09 0.83 0.00 0.00 28 E 8.54 3.98 0.00 2.08 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 2.55 2.74 0.00 29 E 8.11 3.72 0.00 1.47 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 2.03 2.15 0.00 30 C 8.24 4.34 0.00 3.12 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 31 G 7.97 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 0.00 0.00 0.00 32 T 6.94 2.71 3.44 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 0.43 0.00 0.00 33 G 7.66 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 0.00 0.00 0.00 34 A 7.23 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.50 3.91 1.18 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 0.00 0.00 36 Y 7.56 4.54 0.00 3.19 3.27 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 37 C 7.91 4.44 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 38 Q 8.36 4.31 0.00 2.43 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.10 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 39 I 7.95 4.00 2.20 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.02 1.08 0.00 0.00 *41 D 8.14 4.68 0.00 2.91 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.83 2.79 0.00 3.41 3.01 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 0.00 0.00 0.00 0.00 43 I 7.38 3.72 1.56 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.81 0.00 0.00 0.00 44 Y 7.89 4.25 0.00 3.11 2.96 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 0.00 0.00 0.00 45 G 8.61 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.76 5.01 0.00 2.95 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 47 L 7.91 4.39 0.00 1.90 1.73 1.05 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.48 0.00 2.26 2.21 0.00 3.80 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 2.12 2.03 0.00 *50 N 8.50 4.62 0.00 2.79 2.99 0.00 0.00 6.92 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 51 R 7.95 4.39 0.00 1.96 2.00 0.00 3.19 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 52 V 7.59 3.96 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 0.99 0.00 0.00 1.05 0.00 0.00 53 K 8.90 4.37 0.00 1.79 1.77 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 54 F 8.72 3.89 0.00 3.01 3.16 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 55 N 7.97 4.93 0.00 2.81 2.81 0.00 0.00 6.86 7.35 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 56 A 7.48 4.45 1.48 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 0.00 0.00 0.00 57 T 8.49 4.66 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 1.22 0.00 0.00 58 A 7.39 4.38 1.02 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 0.00 0.00 59 E 8.27 2.84 0.00 1.85 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 2.35 2.42 0.00 60 Y 7.75 4.20 0.00 3.21 3.14 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 61 E 7.13 3.75 0.00 1.83 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 1.64 1.47 0.00 62 F 7.52 4.64 0.00 3.22 3.13 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 63 Q 8.32 4.19 0.00 2.40 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 64 T 7.57 3.98 4.46 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 1.26 0.00 0.00 65 N 7.96 4.34 0.00 2.73 2.64 0.00 0.00 7.04 8.66 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 66 Y 8.18 4.05 0.00 3.27 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.33 4.24 0.00 2.01 1.90 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.76 7.81 68 I 7.91 3.79 2.09 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 1.46 0.76 0.98 0.00 0.00 69 L 8.21 4.10 0.00 1.91 1.89 1.32 1.28 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 70 Q 8.63 3.89 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 71 S 8.37 4.19 0.00 4.11 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 72 C 8.16 4.12 0.00 3.13 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 73 F 8.64 4.02 0.00 3.20 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 74 S 8.36 4.09 0.00 3.93 4.03 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 75 R 8.12 3.86 0.00 1.81 1.98 0.00 3.23 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.58 0.00 76 H 7.89 4.70 0.00 2.91 3.04 0.00 5.82 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.71 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 0.00 0.00 0.00 78 I 8.04 3.98 1.54 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 1.17 0.32 0.65 0.00 0.00 79 E 8.78 4.17 0.00 1.99 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 0.00 2.33 2.32 0.00 80 K 8.09 3.57 0.00 1.10 1.35 0.00 1.00 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.90 7.81 81 T 7.83 3.83 3.40 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 1.13 0.00 0.00 82 V 7.23 3.54 1.64 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 0.31 0.00 0.00 0.12 0.00 0.00 83 Y 7.18 4.45 0.00 2.93 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 84 V 7.99 2.84 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 0.62 0.00 0.00 0.76 0.00 0.00 85 D 8.02 4.42 0.00 2.78 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 86 K 7.96 4.12 0.00 2.05 1.98 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.46 7.81 87 L 7.52 4.01 0.00 1.28 1.78 0.17 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.60 4.10 1.68 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.55 0.92 0.00 0.00 89 R 7.53 4.28 0.00 1.79 1.96 0.00 3.33 0.00 0.00 3.17 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 90 C 8.04 3.87 0.00 3.14 3.10 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 91 K 7.32 4.23 0.00 1.85 1.81 0.00 1.67 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.44 7.81 92 F 9.00 4.16 0.00 3.37 3.10 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 93 Q 8.31 3.82 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.71 0.00 94 D 8.04 4.40 0.00 2.75 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 95 N 7.93 4.63 0.00 2.90 3.04 0.00 0.00 6.70 6.62 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 96 L 7.93 3.85 0.00 0.94 1.50 0.85 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.12 4.30 0.00 2.29 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 2.36 2.33 0.00 98 F 8.33 4.21 0.00 3.16 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 99 L 8.43 4.03 0.00 2.17 1.96 1.28 1.35 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 0.00 100 Q 8.26 3.89 0.00 2.35 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.70 0.00 101 W 8.11 3.99 0.00 3.38 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 0.00 102 L 8.14 3.56 0.00 1.85 1.76 0.74 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.02 3.59 0.00 0.93 1.47 0.00 0.61 0.00 0.00 1.04 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.75 0.21 7.81 104 K 7.36 3.77 0.00 1.62 1.59 0.00 1.39 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.35 7.81 105 H 7.50 3.74 0.00 1.67 2.86 0.00 5.79 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 0.00 106 W 8.44 3.97 0.00 3.55 3.47 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 0.00 107 I 7.87 3.44 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.01 0.81 0.00 0.00 108 R 7.72 3.84 0.00 1.63 1.72 0.00 3.10 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.42 0.00 109 H 7.69 4.47 0.00 2.79 2.94 0.00 5.91 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 7.58 3.57 0.00 0.79 0.74 0.00 1.42 0.00 0.00 1.67 0.00 0.00 3.26 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.82 1.01 7.81 111 D 7.95 4.62 0.00 2.70 2.56 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 0.00 112 E 8.55 4.04 0.00 1.92 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 0.00 2.27 2.29 0.00 113 S 7.92 4.25 0.00 4.01 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 0.00 114 V 8.09 4.07 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 0.96 0.00 0.00 115 Y 8.46 4.63 0.00 2.89 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 0.00 116 D 7.53 4.54 0.00 2.55 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 0.00 0.00 0.00 0.00 117 P 0.00 3.91 0.00 2.33 2.38 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.14 0.00 118 D 7.75 3.93 0.00 2.58 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 0.00 119 A 7.59 3.16 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 0.00 0.00 0.00 0.00 0.00 120 R 7.41 3.80 0.00 1.67 1.93 0.00 3.20 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.25 0.00 121 R 7.13 4.15 0.00 1.49 1.50 0.00 2.21 0.00 0.00 2.25 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.40 0.00 122 K 8.18 3.90 0.00 1.88 1.92 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.35 7.81 123 Y 7.37 3.41 0.00 3.08 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 0.00 124 R 7.51 4.22 0.00 1.71 1.88 0.00 3.26 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 * Residues marked with a * may have inaccurate shift predictions.