NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5711 8.1933 115.5591 58.5007 64.2949 172.9219 2 C 5.4185 8.6466 119.2079 53.6350 45.4067 171.7990 3 Y 5.1771 9.1277 121.0336 55.4264 41.3001 174.2251 4 F 5.3643 9.0750 118.8785 55.8776 42.2154 174.2480 5 I 4.9196 9.3251 116.7689 58.1381 41.4331 173.0303 6 P 4.6449 0.0000 0.0000 62.8280 32.0103 175.8572 7 N 4.7365 8.9166 123.8644 52.8337 38.5046 174.7232 8 E 4.1458 9.0402 126.0707 56.4127 30.3046 177.5617 9 G 3.9821 7.8563 105.6679 45.3802 0.0000 172.8937 *17 K 4.3957 8.0918 119.0366 56.2394 33.6996 173.3662 18 C 5.1773 9.2340 114.5547 54.1388 45.5027 172.6610 19 M 5.2990 8.5710 118.7593 53.8978 34.9754 174.8110 20 D 4.9675 8.5890 125.1687 51.5647 41.8365 177.1213 21 L 3.9889 8.6024 118.3053 57.7443 41.5273 178.2362 22 K 4.2999 8.5848 117.9446 56.0848 31.9413 176.1818 23 G 4.1598 8.1945 107.8111 45.5049 0.0000 174.6587 24 N 4.1537 7.9030 115.9785 53.8458 39.0477 173.6269 25 K 4.8954 8.0446 120.5323 55.3355 34.4252 175.5778 26 H 4.8505 9.2446 120.5804 52.8570 32.9726 171.2796 27 P 4.6133 0.0000 0.0000 62.6932 32.1946 176.1893 28 I 3.8036 8.3768 123.4110 62.8359 37.5894 175.8981 29 N 4.3105 9.2266 118.9347 54.0066 37.0251 174.5694 30 S 4.8086 7.6098 115.0282 57.3514 65.0851 172.7718 31 E 5.1282 8.6842 123.2504 54.5523 31.7341 174.8322 32 W 5.3199 8.4995 120.9885 55.1832 32.1779 172.9893 33 Q 4.9280 8.6945 122.7412 54.8668 30.1119 175.7475 34 T 4.5328 8.5957 117.6351 60.7035 70.5275 174.0258 35 D 4.5882 8.6357 119.4185 55.0344 39.6578 176.0246 36 N 4.9621 8.2548 119.1031 53.4277 39.6620 172.9445 37 C 4.3079 8.3471 110.2550 58.0130 35.4985 172.3643 38 E 5.1524 7.8344 116.3317 54.7279 33.5940 175.5296 39 T 4.7101 8.6524 117.7518 60.4962 69.6664 172.4509 40 C 4.9034 8.2408 125.7176 55.1004 44.6016 173.1023 41 T 5.0654 7.9415 117.2416 60.7609 72.4594 172.1762 42 C 5.1536 8.7235 122.6907 55.7843 40.6474 172.8359 43 Y 4.9492 8.7253 122.1248 56.1860 39.8368 176.4527 44 E 3.9641 9.1975 121.8788 59.6331 29.8541 177.9725 45 T 4.3530 8.0602 111.9685 63.2703 68.4163 173.2789 46 E 5.4282 8.0945 117.1010 55.0255 33.9644 174.1481 47 I 5.0090 9.4669 121.8657 59.6131 40.3211 174.8189 48 S 4.5323 8.6094 120.4565 56.4508 65.6805 171.9494 49 C 4.9184 7.8933 123.0460 55.1774 42.5596 172.4341 50 C 5.4268 8.6618 119.6139 55.0946 44.2016 173.4533 51 T 4.5894 8.3763 117.0100 62.3018 67.3997 174.4518 52 L 4.3703 8.7434 126.7748 55.2009 42.5709 176.8199 53 V 4.1309 7.5932 120.2467 61.5864 31.9400 175.2104 54 S 4.7684 8.7561 124.2350 58.6014 63.7742 173.7208 55 T 4.5990 9.5703 123.2982 61.5742 69.8768 172.4698 56 P 4.1489 0.0000 0.0000 62.5951 31.5624 176.5111 57 V 4.2321 8.7239 115.0100 60.4695 34.4569 175.8396 58 G 3.9702 7.6957 108.1649 44.9384 0.0000 172.2272 59 Y 4.7467 7.2441 122.9009 55.5022 40.4659 174.1533 60 D 4.3904 8.4518 119.5387 54.2994 40.2229 176.4052 61 K 4.4804 8.2208 125.7975 57.5469 32.7884 178.2944 62 D 4.5308 8.0336 118.8508 56.4708 41.2874 177.2214 63 N 4.7204 8.2847 114.9719 53.8541 39.6729 175.0267 64 C 5.7700 8.1614 114.2818 55.1953 40.2687 173.5007 65 Q 4.9405 9.5564 118.6680 54.6324 32.1681 173.7078 66 R 4.9361 8.5449 116.9253 54.8485 31.7386 175.5005 67 I 4.7307 9.1434 122.9258 59.3017 40.5131 174.7185 68 F 4.5204 9.1814 129.9910 58.1121 40.4722 174.8789 69 K 4.0318 8.4467 125.1312 54.1919 33.6445 176.8266 70 K 3.0064 7.9652 127.1122 59.0448 32.4169 178.8926 71 E 3.8942 7.9676 116.5007 59.0049 29.3753 177.3911 72 D 4.5140 7.5923 115.1934 53.5528 41.9226 175.4284 73 C 4.4325 7.6960 116.8345 56.8700 34.1516 172.1330 74 K 4.8951 6.9252 116.7908 56.2370 36.1082 175.8110 75 Y 5.3769 8.9277 118.7019 56.6101 40.2609 175.1080 76 I 4.7769 8.6888 115.3973 59.1992 41.3090 174.4422 77 V 4.6647 8.2626 122.6591 61.3773 34.0777 174.6875 78 V 5.0806 8.9326 120.2734 59.2630 36.8142 174.4677 79 E 4.4683 8.8905 121.5734 56.3868 29.7242 178.7637 80 K 3.9399 9.2045 125.5432 59.4897 32.2597 178.8222 81 K 4.1557 7.9445 115.5812 59.1083 33.0386 177.0554 82 D 4.6120 7.6607 119.0540 52.6964 42.2001 173.4519 83 P 4.4649 0.0000 0.0000 63.3899 31.4586 177.2821 84 K 4.2851 7.9466 117.3499 56.7470 32.8313 176.4508 85 K 4.7172 8.3813 120.6220 54.7548 33.9896 175.9953 86 T 4.7578 8.5388 115.1060 61.4131 70.2440 174.6442 87 C 5.1497 8.6515 120.9494 55.1315 42.7432 174.0344 88 S 4.5294 8.5965 116.1835 58.0540 63.7465 173.4865 89 V 4.6872 8.2940 122.3573 61.3652 33.2385 175.1543 90 S 4.7747 9.2831 121.7787 58.4262 64.2636 173.6906 91 E 4.7988 7.5749 120.5111 55.2393 32.7191 173.6813 92 W 5.3066 9.0911 125.7864 55.0198 32.8253 174.8453 93 I 4.7950 9.2326 122.3043 59.6578 40.9118 175.7697 94 I 4.2110 8.2530 124.6566 61.3232 38.2122 174.6099 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 S 8.19 4.57 0.00 3.96 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 2 C 8.65 5.42 0.00 3.04 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 3 Y 9.13 5.18 0.00 3.04 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 4 F 9.08 5.36 0.00 2.92 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 5 I 9.33 4.92 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.10 1.04 0.00 0.00 6 P 0.00 4.64 0.00 2.13 2.08 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 7 N 8.92 4.74 0.00 2.81 2.88 0.00 0.00 7.23 7.16 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 8 E 9.04 4.15 0.00 2.03 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 2.34 2.27 0.00 9 G 7.86 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 *17 K 8.09 4.40 0.00 1.66 1.93 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 18 C 9.23 5.18 0.00 2.95 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 19 M 8.57 5.30 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.48 0.00 20 D 8.59 4.97 0.00 3.14 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 21 L 8.60 3.99 0.00 1.73 1.83 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.58 4.30 0.00 1.75 1.92 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.39 7.81 23 G 8.19 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 0.00 0.00 0.00 0.00 24 N 7.90 4.15 0.00 2.84 2.42 0.00 0.00 7.09 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 25 K 8.04 4.90 0.00 1.49 1.61 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.35 7.81 26 H 9.24 4.85 0.00 2.59 2.87 0.00 5.62 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.61 0.00 2.12 2.17 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 28 I 8.38 3.80 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.60 1.02 0.00 0.00 29 N 9.23 4.31 0.00 2.88 3.00 0.00 0.00 6.91 8.23 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 30 S 7.61 4.81 0.00 4.15 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 31 E 8.68 5.13 0.00 1.90 1.80 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 2.16 2.11 0.00 32 W 8.50 5.32 0.00 3.37 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 33 Q 8.69 4.93 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 34 T 8.60 4.53 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 1.22 0.00 0.00 35 D 8.64 4.59 0.00 2.85 2.88 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 36 N 8.25 4.96 0.00 2.65 2.82 0.00 0.00 7.22 7.28 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 37 C 8.35 4.31 0.00 3.28 3.21 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 0.00 38 E 7.83 5.15 0.00 1.77 1.72 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 2.25 2.47 0.00 39 T 8.65 4.71 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 1.09 0.00 0.00 40 C 8.24 4.90 0.00 1.23 1.53 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 41 T 7.94 5.07 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 0.67 0.00 0.00 42 C 8.72 5.15 0.00 3.02 3.05 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 43 Y 8.73 4.95 0.00 3.20 2.88 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 44 E 9.20 3.96 0.00 1.98 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 2.35 2.44 0.00 45 T 8.06 4.35 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 1.28 0.00 0.00 46 E 8.09 5.43 0.00 2.56 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 2.59 2.73 0.00 47 I 9.47 5.01 1.99 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 1.22 0.79 1.07 0.00 0.00 48 S 8.61 4.53 0.00 3.34 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 49 C 7.89 4.92 0.00 1.24 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 50 C 8.66 5.43 0.00 2.68 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 51 T 8.38 4.59 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 1.30 0.00 0.00 52 L 8.74 4.37 0.00 1.58 1.69 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.59 4.13 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 0.93 0.00 0.00 1.03 0.00 0.00 54 S 8.76 4.77 0.00 3.85 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 55 T 9.57 4.60 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 0.99 0.00 0.00 56 P 0.00 4.15 0.00 1.23 0.49 0.00 2.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.54 0.00 57 V 8.72 4.23 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 0.68 0.00 0.00 0.94 0.00 0.00 58 G 7.70 3.97 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 0.00 0.00 0.00 59 Y 7.24 4.75 0.00 2.91 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 60 D 8.45 4.39 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.22 4.48 0.00 1.63 1.73 0.00 1.53 0.00 0.00 1.46 0.00 0.00 2.21 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.62 1.01 7.81 62 D 8.03 4.53 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.28 4.72 0.00 2.88 2.87 0.00 0.00 6.90 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 64 C 8.16 5.77 0.00 3.24 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 65 Q 9.56 4.94 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 66 R 8.54 4.94 0.00 1.63 1.47 0.00 2.21 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 67 I 9.14 4.73 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.06 0.96 0.00 0.00 68 F 9.18 4.52 0.00 2.55 2.84 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 69 K 8.45 4.03 0.00 1.39 1.49 0.00 1.68 0.00 0.00 1.50 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.25 7.81 70 K 7.97 3.01 0.00 1.59 1.63 0.00 1.84 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.53 7.81 71 E 7.97 3.89 0.00 1.89 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 2.25 2.25 0.00 72 D 7.59 4.51 0.00 2.52 2.61 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 73 C 7.70 4.43 0.00 3.06 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 74 K 6.93 4.90 0.00 1.82 1.96 0.00 1.47 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.48 7.81 75 Y 8.93 5.38 0.00 3.20 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 76 I 8.69 4.78 1.93 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 1.36 1.00 0.96 0.00 0.00 77 V 8.26 4.66 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 0.49 0.00 0.00 0.24 0.00 0.00 78 V 8.93 5.08 2.18 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 0.82 0.00 0.00 0.97 0.00 0.00 79 E 8.89 4.47 0.00 2.13 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 2.34 2.43 0.00 80 K 9.20 3.94 0.00 1.71 1.90 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.16 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.50 7.81 81 K 7.94 4.16 0.00 1.87 1.95 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.43 7.81 82 D 7.66 4.61 0.00 2.69 2.54 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 0.00 0.00 0.00 0.00 83 P 0.00 4.46 0.00 2.09 2.09 0.00 3.73 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 2.04 2.21 0.00 84 K 7.95 4.29 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.40 7.81 85 K 8.38 4.72 0.00 1.73 1.79 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.51 7.81 86 T 8.54 4.76 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 1.23 0.00 0.00 87 C 8.65 5.15 0.00 2.82 3.04 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 0.00 0.00 0.00 0.00 88 S 8.60 4.53 0.00 4.02 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 89 V 8.29 4.69 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 0.10 0.00 0.00 0.60 0.00 0.00 90 S 9.28 4.77 0.00 3.86 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 91 E 7.57 4.80 0.00 2.03 1.72 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 2.30 2.36 0.00 92 W 9.09 5.31 0.00 3.16 3.15 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 93 I 9.23 4.79 1.92 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 1.04 0.95 0.00 0.00 94 I 8.25 4.21 1.95 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 1.31 1.06 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.