NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9491 8.0932 114.8065 57.7720 64.5434 174.2723 2 L 3.8976 8.1745 120.1536 56.7599 41.0613 179.0335 3 F 4.0138 8.7866 122.4444 61.3764 39.7339 176.7802 4 E 3.7569 8.0332 117.6782 59.0398 29.1974 178.8879 5 L 4.1201 8.1296 120.6106 58.1712 42.1914 179.2932 6 G 3.5056 8.2767 106.0353 47.5775 0.0000 175.5764 7 K 3.7805 7.6106 121.9555 59.4838 32.1523 178.8307 8 M 4.0912 8.2530 119.3396 58.4637 31.7353 178.8360 9 I 3.6132 7.8806 120.1203 64.0624 36.9514 178.2592 10 L 4.1521 7.7315 122.4923 57.8053 41.7491 178.9256 11 Q 3.7688 8.1646 116.8825 58.8850 28.6264 178.6550 12 E 4.3061 8.3754 118.9407 59.4956 29.9841 178.8389 13 T 4.1981 8.2605 109.5702 63.4897 69.0806 176.4310 *15 G 4.1052 7.6996 107.5738 44.4846 0.0000 172.2742 16 K 4.5036 7.8936 120.0456 53.9988 34.4214 175.3467 17 N 4.5977 8.5531 120.4821 53.3381 39.8417 174.1118 18 P 4.4547 0.0000 0.0000 66.0297 31.5702 178.4851 19 A 4.0422 8.0561 120.1611 54.5783 18.1840 179.2552 20 K 3.8899 8.3297 117.1379 60.0111 32.4402 178.8515 21 S 4.5767 7.6047 114.7811 59.4604 61.6279 174.5429 22 Y 4.8870 8.2258 116.6022 57.2188 39.5022 177.5533 23 G 3.8683 8.3129 110.3270 48.2949 0.0000 173.3492 24 A 4.8352 7.3141 120.3437 51.5405 20.4718 173.1733 25 Y 4.9176 8.8778 121.7941 56.9491 42.4938 175.5804 26 G 3.5501 8.1754 116.6469 46.8287 0.0000 173.2329 27 C 4.7705 9.4326 118.8333 57.1671 40.9711 173.9609 28 N 4.6801 8.6005 114.9684 52.7992 40.6841 173.7572 29 C 4.5326 8.5698 117.0563 57.2325 40.4783 173.2221 30 G 4.7236 8.9967 115.8878 46.8057 0.0000 173.8079 31 V 3.8451 7.4255 110.8613 60.8160 32.2060 175.1385 32 L 4.1394 8.3103 123.1983 55.4995 42.6359 177.8489 33 G 3.9205 8.6293 114.6944 45.0007 0.0000 172.1124 34 R 4.9790 8.1407 116.6723 54.8964 32.9608 175.6862 35 G 4.2022 9.0887 106.4947 44.7916 0.0000 173.0913 36 K 3.9022 8.5868 122.8715 55.7736 32.4634 175.0976 37 P 4.4420 0.0000 0.0000 62.8725 31.8251 176.7394 38 K 3.8728 8.6025 121.6373 58.7699 32.5043 176.0234 39 D 4.4280 7.1839 115.6129 51.5435 41.8047 175.4654 40 A 3.9614 8.6552 119.7989 55.9815 17.7786 179.7902 41 T 3.7928 8.0326 113.7526 66.9785 68.5375 176.1672 42 D 4.4719 8.9848 120.2704 57.3040 41.1714 178.2199 43 R 3.9556 8.2717 119.6121 59.4113 29.9560 177.7303 44 C 4.2413 8.3183 116.6209 60.4455 40.3885 175.5954 45 C 4.1294 7.8531 117.2202 59.8397 40.7437 175.5994 46 Y 3.9801 7.9993 121.3172 60.7413 38.4390 178.1178 47 V 3.4640 8.2812 119.5927 66.1655 31.5504 177.3285 48 H 3.9392 8.2247 117.9416 59.3218 29.6333 177.3908 49 K 3.7004 8.0351 120.3549 59.5797 31.5812 178.7711 50 C 4.1318 7.7255 115.9998 59.8865 40.0879 174.9418 51 C 4.3211 8.1274 119.8080 59.9111 43.1063 174.9716 52 Y 4.3071 8.0074 118.4210 60.9996 37.4945 178.2738 53 K 3.8041 8.2565 120.7069 59.3620 31.9643 178.4598 *57 K 4.4667 7.7853 115.6843 55.9806 34.0448 176.2388 58 L 4.2239 7.5430 118.5927 54.8643 42.0644 176.7324 59 T 4.4710 8.3678 111.1612 61.3916 71.2542 173.7430 60 G 4.0915 9.4323 113.4362 45.5878 0.0000 171.8940 61 C 4.9071 7.6267 112.2185 54.5290 44.8392 172.5200 *67 N 5.0221 8.3923 117.4512 52.9240 38.9959 173.2693 68 P 3.9361 0.0000 0.0000 65.0977 31.7856 179.0202 69 K 4.0772 8.1596 117.1928 59.2185 33.1788 178.9234 70 K 4.0882 8.3650 117.8797 57.9246 32.4432 177.1782 71 D 4.5211 8.3051 120.3977 53.9109 41.0816 176.4511 72 R 4.2632 8.6529 122.9562 55.6879 30.9794 175.0208 73 Y 4.9913 7.4071 116.3955 56.1949 40.9720 173.9536 74 S 5.1084 10.3255 118.1247 57.7850 65.1499 173.0351 75 Y 5.5490 8.1491 119.7206 56.4288 40.9902 172.9224 76 S 4.7323 9.6610 114.6008 56.4472 67.4942 172.4643 77 W 5.4952 8.9114 129.4371 55.8490 32.0814 174.6128 78 K 4.4070 8.8213 129.7158 56.3773 34.6165 177.3122 79 D 4.0399 9.2975 122.4264 54.9367 37.2084 170.2631 80 K 2.0000 7.2230 112.6405 57.5521 30.1192 175.7614 81 T 4.3411 6.4280 112.5417 61.4906 72.4015 173.5749 82 I 4.7935 8.3433 125.9041 61.0486 38.3312 175.4419 83 V 4.3843 9.3216 127.6010 60.9337 33.7575 174.2194 84 C 4.7767 9.1100 125.8687 56.5713 40.8440 174.1613 85 G 4.3337 8.6565 107.5111 45.5476 0.0000 172.2822 86 E 4.9352 8.0385 116.2172 54.6124 34.1129 175.5450 87 N 4.7137 8.6193 118.6257 54.3190 41.1597 174.9430 88 N 4.0918 8.0938 116.8518 53.7972 39.5534 172.8783 *90 P 4.3182 0.0000 0.0000 62.8503 33.7550 179.3974 91 C 4.2389 8.1760 116.9809 59.7121 41.8324 175.4426 92 L 3.9748 8.5109 120.8899 57.3182 41.0538 179.4444 93 K 3.8008 8.4425 120.1114 59.6468 32.1513 178.7428 94 E 3.8823 8.4237 119.2461 59.1596 29.2872 179.2080 95 L 3.8480 8.3121 120.6649 58.2688 42.1842 178.0671 96 C 3.2215 7.8710 118.7165 59.5966 44.3687 175.5190 97 E 3.8761 8.1826 120.1528 59.3246 28.9667 178.7661 98 C 4.3137 8.3542 117.1030 60.1269 41.4489 175.8567 99 D 4.3572 8.3335 120.5656 57.1392 40.3898 178.6734 100 K 3.7974 8.4289 120.3599 59.4147 32.1405 178.6344 101 A 3.9591 8.1405 121.3298 55.2103 18.2430 180.0511 102 V 3.4896 7.8608 117.4571 64.5975 31.4103 178.4705 103 A 3.7837 7.9800 121.4257 55.0050 18.2610 179.6721 104 I 3.7677 7.8063 118.3324 64.6591 37.3022 177.8584 105 C 4.5009 8.3753 121.0256 59.1259 43.2222 175.6257 106 L 3.8100 7.8193 119.8314 57.6017 41.4098 179.1450 107 R 4.0275 7.8990 118.5865 59.6107 29.7018 178.4686 108 E 4.1477 8.8546 118.2009 58.3766 29.2848 178.0816 109 N 5.0844 7.6244 115.1061 52.8607 39.4477 176.5956 110 L 4.1686 8.0728 122.1887 57.6255 41.8370 179.8392 111 G 3.7492 8.2741 106.9901 47.9009 0.0000 174.0328 112 T 4.5645 7.6283 107.3241 61.0194 69.5826 173.5831 113 Y 4.1024 7.8658 124.1456 58.3978 39.3622 174.6865 114 N 5.1668 8.9804 124.7264 51.4286 41.3613 175.1189 115 K 4.0436 8.8829 125.9049 59.0791 32.3596 179.0223 116 K 3.9902 8.1440 117.3986 59.0320 32.4916 177.1834 117 Y 4.4050 7.3960 116.7625 57.9704 37.8053 175.6173 118 R 4.1242 7.9858 121.5539 57.4353 30.5553 176.2947 119 Y 3.9302 8.0390 119.2450 58.7975 36.1669 170.2829 120 H 4.2338 7.4604 118.6761 56.5305 30.4629 174.3728 121 L 4.3595 8.3349 126.1339 53.7099 42.5797 176.5753 122 K 4.0002 8.9659 125.0036 59.2102 32.0160 176.6366 123 P 3.8848 0.0000 0.0000 65.4749 31.2368 177.7493 *125 F 5.0033 7.7674 113.3569 57.0355 40.7325 175.3766 126 C 4.7033 8.6488 119.6384 56.4326 40.2383 173.9875 127 K 4.3378 8.6854 125.0885 56.1435 34.0327 176.3024 *129 K 4.4716 8.3455 123.5611 55.0931 33.0216 175.9575 130 A 4.2209 8.5674 126.2754 51.2118 19.2909 177.3569 131 D 4.5728 8.2494 120.2268 54.0080 41.6651 176.2511 132 D 4.6733 8.3584 121.1166 53.7135 42.1882 176.9808 133 C 4.4400 8.6374 119.0801 57.4132 41.1482 173.9425 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 8.09 4.95 0.00 4.23 4.12 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 2 L 8.17 3.90 0.00 1.78 1.83 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.79 4.01 0.00 3.16 3.08 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 0.00 0.00 0.00 4 E 8.03 3.76 0.00 1.87 1.93 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 1.81 2.51 0.00 5 L 8.13 4.12 0.00 2.06 1.84 0.81 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.28 3.51 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 0.00 0.00 0.00 7 K 7.61 3.78 0.00 1.33 1.79 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.35 7.81 8 M 8.25 4.09 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.13 0.00 9 I 7.88 3.61 1.94 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.83 0.81 0.00 0.00 10 L 7.73 4.15 0.00 1.84 1.72 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.16 3.77 0.00 2.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 1.72 2.30 0.00 12 E 8.38 4.31 0.00 1.96 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 2.55 2.48 0.00 13 T 8.26 4.20 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 1.21 0.00 0.00 *15 G 7.70 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 0.00 0.00 0.00 16 K 7.89 4.50 0.00 1.81 1.60 0.00 1.53 0.00 0.00 1.49 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.33 7.81 17 N 8.55 4.60 0.00 2.74 2.69 0.00 0.00 6.84 7.71 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 18 P 0.00 4.45 0.00 2.36 2.33 0.00 3.76 0.00 0.00 3.88 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 19 A 8.06 4.04 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 0.00 0.00 0.00 0.00 0.00 20 K 8.33 3.89 0.00 1.87 1.97 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.53 7.81 21 S 7.60 4.58 0.00 3.13 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 22 Y 8.23 4.89 0.00 3.07 2.89 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 23 G 8.31 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 24 A 7.31 4.84 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 25 Y 8.88 4.92 0.00 3.03 2.79 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 26 G 8.18 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.43 4.77 0.00 2.87 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 28 N 8.60 4.68 0.00 3.05 2.92 0.00 0.00 6.94 8.44 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 29 C 8.57 4.53 0.00 3.51 3.41 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 30 G 9.00 4.72 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 0.00 0.00 0.00 31 V 7.43 3.85 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 0.83 0.00 0.00 1.01 0.00 0.00 32 L 8.31 4.14 0.00 1.62 1.59 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.63 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.14 4.98 0.00 1.78 2.13 0.00 2.97 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 35 G 9.09 4.20 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 0.00 0.00 0.00 36 K 8.59 3.90 0.00 1.86 1.70 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.65 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.32 7.81 37 P 0.00 4.44 0.00 1.92 1.98 0.00 3.40 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 38 K 8.60 3.87 0.00 0.79 0.74 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.03 0.57 7.81 39 D 7.18 4.43 0.00 2.91 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.66 3.96 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 41 T 8.03 3.79 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 0.91 0.00 0.00 42 D 8.98 4.47 0.00 2.94 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 43 R 8.27 3.96 0.00 1.97 2.08 0.00 3.13 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 44 C 8.32 4.24 0.00 3.11 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 45 C 7.85 4.13 0.00 3.21 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 46 Y 8.00 3.98 0.00 3.08 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 47 V 8.28 3.46 2.33 0.00 0.00 0.00 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 1.09 0.00 0.00 48 H 8.22 3.94 0.00 3.15 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.04 3.70 0.00 1.67 1.73 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.34 7.81 50 C 7.73 4.13 0.00 2.84 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 51 C 8.13 4.32 0.00 3.02 3.24 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 52 Y 8.01 4.31 0.00 3.11 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 53 K 8.26 3.80 0.00 1.96 1.88 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.49 7.81 *57 K 7.79 4.47 0.00 2.03 1.89 0.00 1.84 0.00 0.00 2.35 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.41 7.81 58 L 7.54 4.22 0.00 1.68 1.54 0.75 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.37 4.47 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 1.20 0.00 0.00 60 G 9.43 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 61 C 7.63 4.91 0.00 3.37 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 *67 N 8.39 5.02 0.00 2.75 2.99 0.00 0.00 7.69 7.71 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 68 P 0.00 3.94 0.00 1.47 0.49 0.00 3.49 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 69 K 8.16 4.08 0.00 1.98 2.09 0.00 1.52 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.90 1.41 7.81 70 K 8.37 4.09 0.00 1.77 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.40 7.81 71 D 8.31 4.52 0.00 2.83 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 72 R 8.65 4.26 0.00 1.80 1.82 0.00 3.67 0.00 0.00 4.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 73 Y 7.41 4.99 0.00 3.18 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 74 S 10.33 5.11 0.00 3.96 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 75 Y 8.15 5.55 0.00 3.20 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 76 S 9.66 4.73 0.00 3.88 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 77 W 8.91 5.50 0.00 3.29 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 78 K 8.82 4.41 0.00 1.71 1.60 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.51 7.81 79 D 9.30 4.04 0.00 2.80 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 80 K 7.22 2.00 0.00 1.54 1.53 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.30 7.81 81 T 6.43 4.34 4.20 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 1.14 0.00 0.00 82 I 8.34 4.79 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 1.59 0.85 0.80 0.00 0.00 83 V 9.32 4.38 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 0.86 0.00 0.00 1.00 0.00 0.00 84 C 9.11 4.78 0.00 3.00 2.98 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 85 G 8.66 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.04 4.94 0.00 1.90 1.82 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 2.31 2.29 0.00 87 N 8.62 4.71 0.00 2.66 2.81 0.00 0.00 6.95 7.79 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 88 N 8.09 4.09 0.00 2.77 2.72 0.00 0.00 7.20 7.71 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 *90 P 0.00 4.32 0.00 2.23 2.10 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 91 C 8.18 4.24 0.00 3.06 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 92 L 8.51 3.97 0.00 1.73 1.75 1.04 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.44 3.80 0.00 1.95 2.00 0.00 1.47 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.48 7.81 94 E 8.42 3.88 0.00 2.17 1.95 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 2.30 2.29 0.00 95 L 8.31 3.85 0.00 1.63 1.73 0.70 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.87 3.22 0.00 1.94 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 97 E 8.18 3.88 0.00 2.11 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 2.46 2.44 0.00 98 C 8.35 4.31 0.00 3.34 3.22 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 99 D 8.33 4.36 0.00 2.90 2.77 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 0.00 100 K 8.43 3.80 0.00 1.67 1.94 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 101 A 8.14 3.96 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 0.00 102 V 7.86 3.49 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 0.62 0.00 0.00 0.70 0.00 0.00 103 A 7.98 3.78 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 0.00 104 I 7.81 3.77 1.97 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 1.51 0.63 0.91 0.00 0.00 105 C 8.38 4.50 0.00 3.04 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 0.00 106 L 7.82 3.81 0.00 1.41 1.09 0.05 0.62 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 0.00 107 R 7.90 4.03 0.00 1.85 2.09 0.00 3.27 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.04 0.00 108 E 8.85 4.15 0.00 2.19 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 2.33 2.50 0.00 109 N 7.62 5.08 0.00 2.88 2.82 0.00 0.00 6.83 6.17 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 0.00 110 L 8.07 4.17 0.00 1.85 1.72 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.27 3.75 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 0.00 0.00 0.00 112 T 7.63 4.56 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 1.26 0.00 0.00 113 Y 7.87 4.10 0.00 3.09 2.98 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 0.00 114 N 8.98 5.17 0.00 2.69 2.42 0.00 0.00 6.93 7.60 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 0.00 115 K 8.88 4.04 0.00 1.89 1.91 0.00 1.79 0.00 0.00 1.94 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.78 1.67 7.81 116 K 8.14 3.99 0.00 1.59 1.70 0.00 1.24 0.00 0.00 1.41 0.00 0.00 2.54 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.82 0.38 7.81 117 Y 7.40 4.41 0.00 1.73 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.99 4.12 0.00 1.95 1.44 0.00 3.37 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 119 Y 8.04 3.93 0.00 3.17 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 0.00 120 H 7.46 4.23 0.00 3.40 3.39 0.00 5.94 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 0.00 121 L 8.33 4.36 0.00 1.83 1.53 0.97 1.08 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 0.00 122 K 8.97 4.00 0.00 1.85 1.82 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.55 7.81 123 P 0.00 3.88 0.00 1.73 1.88 0.00 3.51 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 1.93 2.01 0.00 *125 F 7.77 5.00 0.00 3.15 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 0.00 126 C 8.65 4.70 0.00 3.00 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 0.00 127 K 8.69 4.34 0.00 1.74 1.74 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.52 7.81 *129 K 8.35 4.47 0.00 1.57 1.64 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.03 7.81 130 A 8.57 4.22 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 0.00 131 D 8.25 4.57 0.00 2.72 2.66 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 0.00 0.00 0.00 132 D 8.36 4.67 0.00 2.65 2.59 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 0.00 0.00 0.00 0.00 133 C 8.64 4.44 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.