NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3815 8.3044 120.3164 55.2851 33.1979 174.3551 2 S 3.9894 8.3630 121.9377 60.5595 63.9966 170.4533 3 D 4.7761 9.5862 116.9409 54.5063 43.8339 176.5731 4 A 4.6396 10.0261 125.8947 49.1812 23.6044 180.3630 5 V 4.6245 8.3470 114.7128 60.6821 31.3665 174.3315 6 T 4.6824 8.5623 135.0000 63.0098 69.1831 170.6226 7 I 3.9192 7.8437 129.0182 60.7083 38.0669 174.9461 8 R 4.6536 9.1960 123.2788 54.8309 33.4462 175.2245 9 T 4.7673 8.7076 120.9794 62.9124 67.6035 174.9317 10 R 4.1789 8.8139 126.2801 58.0195 30.4887 176.1357 11 K 4.8730 8.0504 115.6476 55.7527 37.2952 174.1271 12 V 5.1359 8.8134 122.1630 61.4791 34.8240 174.5110 13 I 4.7940 9.0454 127.5513 59.7310 41.0494 175.0119 14 S 4.9375 9.2742 122.6158 57.8724 64.7258 172.7599 15 N 5.1683 9.0164 121.0381 51.6695 40.8185 173.2675 16 P 4.3363 0.0000 0.0000 66.0353 32.0043 180.0865 17 L 4.8946 7.9095 116.6965 53.6994 40.6925 176.5004 18 L 4.2582 7.9051 126.3906 54.5289 45.5983 173.8692 19 A 3.7994 8.3425 120.8020 52.0077 16.8955 177.3067 20 R 4.8364 7.7238 114.5812 55.5369 34.0826 174.4405 21 K 4.8659 8.9240 119.1834 54.7877 35.4522 175.1511 22 Q 4.7078 9.0614 123.3028 54.1804 31.0318 174.4612 23 F 5.4713 8.6556 125.5943 56.4739 42.9910 173.3563 24 V 4.8090 9.5624 126.8740 61.3088 33.7084 174.7920 25 V 4.6592 8.3526 125.5779 60.2908 35.3579 173.4768 26 D 5.5071 8.8424 121.4845 52.6119 43.7270 175.7343 27 V 4.7635 7.8680 120.0446 60.2650 34.5172 175.6252 28 L 4.2758 8.1609 122.2276 55.2635 43.8798 174.0879 29 H 4.7363 8.8686 121.5226 54.5743 29.2644 173.8575 30 P 4.2109 0.0000 0.0000 64.6255 31.7584 175.3219 31 N 4.5773 8.2980 115.2243 52.2571 35.6470 175.7641 32 R 4.7019 6.7820 121.3341 57.1753 31.5988 175.4617 33 A 4.5463 8.7623 117.7051 50.7299 20.4407 176.3103 34 N 4.2909 6.6885 116.0449 53.1489 41.3110 173.4325 35 V 4.7031 7.8312 119.0482 60.1651 35.7779 176.4351 36 S 5.0390 7.7488 118.0332 57.3782 61.6832 175.6455 37 K 4.3719 8.5158 113.5439 57.0772 34.9022 177.8074 38 D 4.2886 8.1513 118.1918 57.3942 40.7237 178.5314 39 E 3.9745 8.0802 118.6000 59.2710 29.5784 178.9806 40 L 3.9971 7.5403 119.4476 58.2662 42.1079 179.2478 41 R 3.9658 8.7689 118.5994 59.1996 29.9826 178.9401 42 E 3.9549 8.0369 118.0150 59.4473 29.5218 179.6134 43 K 4.1691 8.0499 118.5272 59.3007 31.8583 179.2253 44 L 3.9746 7.8965 119.6577 58.0112 42.3853 178.5611 45 A 4.1356 8.1506 120.8953 55.3100 18.1126 179.5397 46 E 3.9444 8.0804 116.0520 59.3496 29.5668 179.1776 47 V 3.7394 7.5970 119.7248 67.6172 31.8801 175.3200 *48 Y 4.8783 7.6794 118.2270 58.2550 39.8441 178.8144 *49 K 5.0124 8.1188 113.5505 56.0964 34.0244 170.5815 50 A 4.2495 7.8839 133.2272 52.2389 21.8551 174.6511 *51 E 4.7723 8.5472 114.5071 54.9074 33.6802 172.6370 *52 K 4.1507 8.6108 118.1432 57.4536 30.3984 172.5658 *53 D 4.6611 7.7420 122.3353 52.4287 40.5728 178.7287 54 A 3.9877 8.8023 122.7034 56.0589 19.3197 178.6784 *55 V 3.9756 7.2272 115.4345 61.4322 32.3735 181.4216 56 S 4.6503 9.2887 120.6655 55.6781 65.4931 172.8730 57 V 4.5290 8.5295 120.8619 60.1804 32.0447 175.9163 58 F 4.3328 9.3966 128.6872 60.3559 39.6640 175.1627 59 G 4.2791 7.6676 104.2331 45.4677 0.0000 171.8051 60 F 4.6944 8.9859 120.5107 55.1703 42.5908 174.3950 61 R 4.7668 8.8693 122.3067 53.9935 32.8393 172.5738 62 T 4.6207 8.7583 123.2039 60.7381 69.0425 173.9164 63 Q 5.0812 8.5522 115.8940 53.7314 28.7006 173.3316 64 F 4.3482 7.9524 119.7140 59.9670 39.1152 176.0765 65 G 4.0202 9.0417 108.9146 44.1131 0.0000 171.6478 66 G 4.6505 8.3747 125.6254 45.3041 0.0000 171.5730 67 G 3.8075 8.4801 115.3251 47.6892 0.0000 174.3922 68 K 4.1148 7.9213 119.5482 56.1193 32.2523 176.3519 69 S 4.9970 8.6157 118.8190 55.6456 66.4668 173.1154 70 V 4.4336 8.5392 124.0921 61.1342 35.0482 174.3366 71 G 3.2548 8.4687 112.0589 43.4531 0.0000 173.4904 72 F 5.1017 7.7940 127.6419 57.8779 37.7310 175.4136 73 G 4.2660 8.3211 107.4227 44.7937 0.0000 173.3862 74 L 5.3347 9.1920 127.0534 53.4633 45.0247 176.6720 *75 V 4.5938 8.6310 124.2076 60.4900 35.9054 172.2451 *76 Y 4.4305 7.9973 130.0033 55.6252 35.5484 167.8593 *77 N 4.4222 9.3354 126.6062 51.5826 37.2365 174.6387 78 S 4.6234 7.9132 116.4158 55.0357 65.7659 175.2876 79 V 3.5435 8.5585 126.7068 66.0696 31.4994 178.1687 80 A 3.8924 7.8658 120.0719 55.1632 17.8224 179.0318 81 E 3.5636 7.9454 117.1349 59.1819 29.1826 178.8569 82 A 3.9342 7.7716 120.7195 55.1928 18.2192 179.7893 83 K 3.8937 8.0120 116.2822 59.4172 32.1009 179.2293 84 K 3.8699 7.6293 117.9293 57.7687 32.2931 176.8393 85 F 4.8173 7.3402 115.6845 55.1506 42.2959 175.1036 86 E 4.2955 8.8601 122.8736 54.5491 29.9559 173.7822 87 P 4.2500 0.0000 0.0000 63.8060 31.2567 176.5748 88 T 4.3483 8.4684 114.7612 62.9983 69.8924 176.0357 89 Y 4.5439 7.9695 121.6577 59.6259 37.7512 178.6009 90 R 3.8868 7.0896 120.2861 58.6346 29.9218 178.2833 91 L 3.9418 7.5256 117.7190 57.7492 41.8246 179.3420 92 V 3.8123 7.6741 117.7664 64.8893 31.3744 178.0232 93 R 4.0835 7.7711 118.0453 57.2469 30.2059 178.1649 94 Y 4.5310 8.5919 116.4341 58.9811 38.6363 176.2377 95 G 4.1385 9.7989 103.7599 45.1285 0.0000 172.6445 96 L 4.3328 7.9895 126.2389 54.4479 42.4737 176.3894 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 8.30 4.38 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 2 S 8.36 3.99 0.00 3.91 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 3 D 9.59 4.78 0.00 2.64 2.31 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 4 A 10.03 4.64 1.21 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 0.00 0.00 5 V 8.35 4.62 2.11 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 0.68 0.00 0.00 1.03 0.00 0.00 6 T 8.56 4.68 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 7 I 7.84 3.92 1.96 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 1.61 0.67 1.09 0.00 0.00 8 R 9.20 4.65 0.00 1.71 1.84 0.00 3.14 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 9 T 8.71 4.77 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 1.27 0.00 0.00 10 R 8.81 4.18 0.00 1.84 1.97 0.00 3.22 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 11 K 8.05 4.87 0.00 1.67 1.69 0.00 1.37 0.00 0.00 1.11 0.00 0.00 2.55 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.29 1.40 7.81 12 V 8.81 5.14 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 0.97 0.00 0.00 1.14 0.00 0.00 13 I 9.05 4.79 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.96 0.00 0.00 14 S 9.27 4.94 0.00 4.15 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 15 N 9.02 5.17 0.00 2.73 2.62 0.00 0.00 7.17 8.38 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 16 P 0.00 4.34 0.00 2.38 2.61 0.00 3.82 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 17 L 7.91 4.89 0.00 1.67 1.75 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.91 4.26 0.00 1.51 1.58 0.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.34 3.80 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 20 R 7.72 4.84 0.00 1.95 1.92 0.00 2.65 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 21 K 8.92 4.87 0.00 1.68 1.75 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.33 7.81 22 Q 9.06 4.71 0.00 2.10 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.14 2.35 0.00 23 F 8.66 5.47 0.00 2.99 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 24 V 9.56 4.81 2.28 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 0.80 0.00 0.00 1.04 0.00 0.00 25 V 8.35 4.66 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 0.00 0.00 0.69 0.00 0.00 1.11 0.00 0.00 26 D 8.84 5.51 0.00 2.64 2.60 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 27 V 7.87 4.76 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 0.84 0.00 0.00 0.95 0.00 0.00 28 L 8.16 4.28 0.00 1.68 1.60 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.87 4.74 0.00 3.28 3.42 0.00 5.60 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.21 0.00 2.03 2.00 0.00 3.51 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 31 N 8.30 4.58 0.00 2.82 3.16 0.00 0.00 6.83 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 32 R 6.78 4.70 0.00 1.90 1.46 0.00 3.20 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.35 0.00 33 A 8.76 4.55 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 34 N 6.69 4.29 0.00 2.75 2.80 0.00 0.00 6.64 7.68 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 35 V 7.83 4.70 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 1.01 0.00 0.00 1.02 0.00 0.00 36 S 7.75 5.04 0.00 4.03 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 37 K 8.52 4.37 0.00 1.73 1.77 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.33 7.81 38 D 8.15 4.29 0.00 2.75 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 39 E 8.08 3.97 0.00 2.05 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 2.42 2.48 0.00 40 L 7.54 4.00 0.00 1.76 1.79 1.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.77 3.97 0.00 2.01 1.96 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 42 E 8.04 3.95 0.00 2.13 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 2.33 2.54 0.00 43 K 8.05 4.17 0.00 1.87 1.88 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.58 7.81 44 L 7.90 3.97 0.00 1.82 1.90 0.97 0.89 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 45 A 8.15 4.14 1.40 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 0.00 0.00 0.00 46 E 8.08 3.94 0.00 2.10 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 2.33 2.47 0.00 47 V 7.60 3.74 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 0.75 0.00 0.00 0.85 0.00 0.00 *48 Y 7.68 4.88 0.00 2.35 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 0.00 0.00 0.00 *49 K 8.12 5.01 0.00 1.76 1.62 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.11 0.78 7.81 50 A 7.88 4.25 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 *51 E 8.55 4.77 0.00 1.96 1.75 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 2.12 1.83 0.00 *52 K 8.61 4.15 0.00 1.76 1.70 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.03 7.81 *53 D 7.74 4.66 0.00 2.60 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 54 A 8.80 3.99 1.30 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 *55 V 7.23 3.98 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 0.68 0.00 0.00 0.93 0.00 0.00 56 S 9.29 4.65 0.00 3.86 3.73 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 57 V 8.53 4.53 2.45 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 1.02 0.00 0.00 1.09 0.00 0.00 58 F 9.40 4.33 0.00 2.84 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 59 G 7.67 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 0.00 0.00 0.00 0.00 60 F 8.99 4.69 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.87 4.77 0.00 1.93 1.75 0.00 3.15 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 62 T 8.76 4.62 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 1.25 0.00 0.00 63 Q 8.55 5.08 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 64 F 7.95 4.35 0.00 3.17 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 65 G 9.04 4.02 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 0.00 66 G 8.37 4.65 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 0.00 0.00 0.00 67 G 8.48 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 4.11 0.00 1.77 1.78 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.46 7.81 69 S 8.62 5.00 0.00 4.00 3.96 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 70 V 8.54 4.43 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 0.89 0.00 0.00 0.94 0.00 0.00 71 G 8.47 3.25 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 72 F 7.79 5.10 0.00 2.79 2.34 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 0.00 73 G 8.32 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 0.00 0.00 0.00 0.00 74 L 9.19 5.33 0.00 1.62 1.47 0.93 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 *75 V 8.63 4.59 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 0.72 0.00 0.00 0.93 0.00 0.00 *76 Y 8.00 4.43 0.00 2.27 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 0.00 0.00 0.00 0.00 *77 N 9.34 4.42 0.00 2.92 2.82 0.00 0.00 6.71 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 78 S 7.91 4.62 0.00 3.75 3.60 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 79 V 8.56 3.54 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 1.06 0.00 0.00 0.91 0.00 0.00 80 A 7.87 3.89 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 81 E 7.95 3.56 0.00 1.91 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 2.23 2.25 0.00 82 A 7.77 3.93 1.40 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 0.00 0.00 0.00 83 K 8.01 3.89 0.00 1.80 1.80 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.64 7.81 84 K 7.63 3.87 0.00 1.79 1.85 0.00 1.13 0.00 0.00 1.10 0.00 0.00 2.65 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.54 7.81 85 F 7.34 4.82 0.00 3.08 2.95 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 86 E 8.86 4.30 0.00 2.10 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 2.31 2.28 0.00 87 P 0.00 4.25 0.00 1.89 1.60 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 88 T 8.47 4.35 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 1.21 0.00 0.00 89 Y 7.97 4.54 0.00 3.16 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.09 3.89 0.00 1.20 1.62 0.00 3.29 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 91 L 7.53 3.94 0.00 1.83 1.70 0.88 0.75 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 92 V 7.67 3.81 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 0.91 0.00 0.00 0.97 0.00 0.00 93 R 7.77 4.08 0.00 2.10 2.19 0.00 3.35 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 94 Y 8.59 4.53 0.00 3.01 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 95 G 9.80 4.14 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 0.00 0.00 0.00 96 L 7.99 4.33 0.00 1.55 1.50 0.93 0.82 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 * Residues marked with a * may have inaccurate shift predictions.