NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.8476 8.1200 119.8974 56.0577 35.1831 175.1775 3 V 4.7232 7.6958 118.3509 61.0329 34.3895 173.1943 4 T 4.7795 9.5127 124.8730 61.7589 72.8573 172.4546 5 Q 4.7509 8.7621 124.0596 54.6450 29.6348 175.3079 6 T 4.0430 8.8993 122.2524 66.6038 68.7892 175.5518 7 Q 4.1910 7.9091 117.9200 56.5929 29.4891 176.0511 8 T 4.3777 8.5924 117.9485 66.3015 69.8684 174.5524 9 S 5.2151 7.5808 111.7388 57.9385 65.6746 174.8375 10 I 4.7937 9.2927 121.8664 59.8586 41.5936 174.6001 11 S 5.0374 8.6336 120.5844 57.1485 66.3797 173.5914 12 V 4.5702 8.8329 116.8632 60.4782 36.8008 173.5256 13 M 5.0433 8.3420 119.6822 53.3611 34.4567 175.6177 14 E 4.1205 8.4678 123.5424 57.9428 30.5192 177.6841 15 K 4.1344 10.1010 123.7501 56.6837 31.6804 176.9098 16 T 4.5564 7.4193 115.1848 63.5034 70.0907 173.4605 17 T 5.0013 8.2652 119.5277 62.0354 70.4464 174.3662 18 V 4.4745 8.5020 125.3860 61.2968 35.2309 174.3627 19 T 4.9213 8.2163 121.0882 62.1210 71.6120 173.0564 20 M 4.6212 8.8540 127.1972 54.1654 33.7191 175.5122 21 D 5.1916 10.6100 123.9520 53.8612 43.0914 175.5651 22 C 5.0721 8.7268 120.5970 55.7664 45.5470 172.5461 23 V 5.1872 9.0543 126.5571 61.2638 34.1381 173.7498 24 Y 5.4015 8.2530 124.1425 55.3344 41.8301 174.4430 25 E 4.6871 9.3926 119.1430 55.1004 32.8720 175.4714 26 T 4.8369 8.5367 120.0780 62.2203 72.6018 173.7053 27 Q 4.5930 8.4365 119.6953 55.8866 29.5778 175.6142 28 D 4.6766 7.8997 119.0724 54.3322 41.6086 176.6238 29 S 4.4236 8.7584 117.2841 60.2146 63.6826 174.6206 30 S 4.6696 7.8674 116.2251 56.5668 65.1832 172.4437 30A Y 4.5758 7.2845 121.1041 55.8812 42.0131 173.3849 31 F 4.8463 8.5662 117.9878 55.6312 42.8080 173.8758 32 L 5.0855 7.9241 122.9321 52.9671 44.5808 175.6712 33 F 5.4558 9.3215 120.4877 55.7416 44.1322 173.4603 34 W 5.3527 9.2969 120.7285 55.3209 32.3984 174.3781 35 Y 5.3478 9.8285 121.2391 56.1173 42.0421 174.3070 36 K 4.8452 9.4254 121.3985 54.7297 36.2633 174.5421 37 Q 5.8989 9.5011 128.0590 53.6733 31.6792 175.5449 38 T 4.4139 8.5290 116.4440 60.4194 70.3722 175.1377 39 A 4.0007 8.7964 124.7289 55.5076 18.1067 179.4533 40 S 4.1305 8.0155 108.3361 60.0670 62.9609 175.2525 41 G 4.0467 8.3809 108.1295 44.7668 0.0000 173.5812 42 E 4.0917 8.1446 120.8063 56.5051 30.5789 175.9934 43 I 4.7907 8.4281 125.6511 59.9819 38.5741 174.9798 44 V 4.5334 9.2551 129.2272 60.7082 33.8078 174.6265 45 F 4.1220 9.0846 130.5846 58.7283 39.3530 173.6298 46 L 3.9923 7.7892 126.5494 55.1090 42.1223 176.2378 47 I 4.2127 6.3210 116.2432 60.1901 41.5343 172.2929 48 R 5.2124 8.4940 121.6216 54.7358 33.4287 173.7302 49 Q 4.3097 8.3474 119.3662 54.4017 32.5119 173.2445 50 D 4.5836 8.1791 125.8308 52.5436 42.1520 177.8329 51 S 3.6283 7.7143 118.2060 60.8929 62.7396 174.8322 52 Y 4.3559 6.6720 116.2309 56.7922 38.0270 175.1337 53 K 4.3750 7.7078 122.7235 55.1099 32.3065 177.7788 54 K 4.1665 8.8183 124.5631 58.6333 32.2876 177.1690 55 E 4.6520 7.2353 117.7008 54.4120 31.2913 175.2188 56 N 4.8564 8.5840 118.7334 52.8963 39.2662 175.1803 57 A 4.2255 9.1764 126.5456 52.6622 19.8618 176.3251 58 T 4.9833 8.3005 116.4720 61.9005 72.7334 174.1127 59 V 4.2269 8.9538 126.2170 62.1024 34.6789 174.6213 60 G 3.6407 8.3225 118.8699 47.5353 0.0000 172.9566 61 H 4.6107 8.4582 120.5374 55.1703 28.7494 173.1793 62 Y 5.1289 7.6053 118.9379 56.9501 39.8749 174.9947 63 S 5.1023 9.0177 119.3378 56.7991 67.4001 173.1131 64 L 4.9828 8.4155 122.5974 53.2953 44.4111 176.2610 65 N 4.8828 8.7977 120.4792 51.7113 39.7772 171.0321 66 F 4.9951 9.6941 125.4973 56.8868 40.3100 175.7347 67 Q 4.2952 8.6491 128.2407 54.4061 27.3974 176.4281 68 K 3.8950 6.8370 124.8394 58.9731 33.2145 176.3094 69 P 4.2191 0.0000 0.0000 65.2654 31.2769 177.4738 70 K 4.1455 8.2300 115.0037 55.7575 32.9162 176.4029 71 S 3.1557 7.7853 115.0210 59.8083 60.7251 171.5223 72 S 5.2625 7.7090 113.1447 56.4381 65.7531 173.4447 73 I 5.3193 8.6260 125.6496 58.8727 37.3563 174.5157 74 G 3.8997 8.3337 112.7267 45.8765 0.0000 170.3130 75 L 4.3964 8.4580 125.7192 53.0383 43.7892 175.1487 76 I 4.6285 8.7382 128.5149 59.8830 39.2296 175.0986 77 I 4.6119 8.5802 130.1152 59.9961 38.3317 175.3043 78 T 4.3040 8.7028 125.2714 64.0454 69.1756 175.2411 79 A 4.2338 8.5485 124.4505 51.9777 15.8938 175.7326 80 T 4.2327 8.8739 117.2774 63.6298 69.5593 174.4949 81 Q 5.0844 8.7227 123.8495 53.7622 31.8704 176.9397 82 I 3.8539 8.1122 118.9781 64.4122 37.2798 178.7286 83 E 4.0667 8.1755 118.8811 59.2676 29.3418 177.3667 84 D 4.8141 7.9436 116.3872 54.9336 41.0469 176.3370 85 S 4.6253 8.0327 116.7572 58.8935 63.3805 173.5557 86 A 4.2688 8.3565 125.5581 51.8426 23.8515 174.3455 87 V 4.3960 7.8627 118.7952 62.2425 33.1595 174.4173 88 Y 4.9050 8.7591 125.9961 56.6402 39.8918 174.5825 89 F 5.3965 9.7632 123.3402 55.8340 42.3990 173.5519 90 C 4.4261 8.2957 119.8746 54.5468 43.1100 172.3930 91 A 5.0001 8.7844 126.3033 50.6304 22.8514 174.4605 92 M 5.2476 8.5912 118.3134 53.6641 36.0174 174.8389 93 R 4.5097 8.2829 124.3599 55.0284 31.4498 177.1743 *95 G 3.9810 8.0567 110.8891 45.2486 0.0000 172.4805 96 D 4.6621 7.8642 117.8229 54.5730 42.4488 175.8859 97 Y 4.4788 8.9230 117.9389 57.5948 40.7324 174.3299 98 G 3.6828 9.9635 107.4699 46.3419 0.0000 174.1562 99 G 3.8423 8.1706 105.5051 45.5861 0.0000 175.5929 100 S 3.9697 7.6095 116.6738 58.9777 62.8914 174.3544 101 G 4.1023 8.1129 112.3152 45.4703 0.0000 173.8601 102 N 4.9346 7.4023 115.8092 51.1417 39.2766 175.2607 103 K 4.3339 9.2873 121.1877 55.6876 33.7087 176.0438 104 L 4.7494 8.5025 127.3809 53.3240 44.0221 175.8154 105 I 4.4858 8.9044 124.0727 59.8133 39.2145 174.6643 106 F 5.1716 8.8251 125.3471 55.5811 41.2639 175.9360 107 G 4.1657 9.0421 111.0307 45.8016 0.0000 173.7605 108 T 4.3084 8.6840 108.8326 62.2325 69.2777 175.1989 109 G 3.6445 8.5130 109.5899 46.0421 0.0000 172.7415 110 T 4.7621 8.2522 117.6817 61.2136 71.9026 173.1115 111 L 4.6812 8.8898 129.6063 54.7226 43.5277 175.1386 112 L 5.3088 9.0622 127.7562 53.4100 45.1656 175.0882 113 S 4.9863 9.4194 121.5489 56.6655 66.7184 173.2742 114 V 4.7141 8.1656 122.9130 61.1008 33.5685 174.7116 115 K 4.5192 8.8250 130.3363 54.1497 33.9916 174.9541 116 P 4.4205 0.0000 0.0000 63.3985 30.9234 175.9353 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 2 K 8.12 4.85 0.00 1.73 1.92 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.82 1.27 7.81 3 V 7.70 4.72 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 0.78 0.00 0.00 0.95 0.00 0.00 4 T 9.51 4.78 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 1.24 0.00 0.00 5 Q 8.76 4.75 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 6 T 8.90 4.04 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 7 Q 7.91 4.19 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.04 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 8 T 8.59 4.38 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 9 S 7.58 5.22 0.00 3.83 3.80 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 10 I 9.29 4.79 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.86 0.89 0.00 0.00 11 S 8.63 5.04 0.00 3.69 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 12 V 8.83 4.57 2.07 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 0.74 0.00 0.00 1.01 0.00 0.00 13 M 8.34 5.04 0.00 1.91 1.93 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 2.59 2.44 0.00 14 E 8.47 4.12 0.00 2.05 1.89 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 2.33 2.44 0.00 15 K 10.10 4.13 0.00 1.87 2.03 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.37 7.81 16 T 7.42 4.56 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 1.19 0.00 0.00 17 T 8.27 5.00 4.21 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 1.19 0.00 0.00 18 V 8.50 4.47 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 0.83 0.00 0.00 0.86 0.00 0.00 19 T 8.22 4.92 4.19 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 1.15 0.00 0.00 20 M 8.85 4.62 0.00 1.92 1.33 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.35 0.00 21 D 10.61 5.19 0.00 2.66 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 22 C 8.73 5.07 0.00 3.32 3.35 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 23 V 9.05 5.19 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 0.90 0.00 0.00 0.96 0.00 0.00 24 Y 8.25 5.40 0.00 2.96 2.85 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 0.00 0.00 0.00 0.00 25 E 9.39 4.69 0.00 1.84 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 2.16 2.23 0.00 26 T 8.54 4.84 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 1.20 0.00 0.00 27 Q 8.44 4.59 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 28 D 7.90 4.68 0.00 2.82 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 29 S 8.76 4.42 0.00 4.02 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 30 S 7.87 4.67 0.00 3.88 3.79 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 30A Y 7.28 4.58 0.00 2.84 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 31 F 8.57 4.85 0.00 3.25 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 32 L 7.92 5.09 0.00 1.29 1.31 0.56 0.06 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 33 F 9.32 5.46 0.00 3.01 2.93 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 34 W 9.30 5.35 0.00 3.19 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 35 Y 9.83 5.35 0.00 3.25 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 36 K 9.43 4.85 0.00 0.86 1.39 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.12 7.81 37 Q 9.50 5.90 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 38 T 8.53 4.41 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 39 A 8.80 4.00 1.33 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 40 S 8.02 4.13 0.00 4.00 4.04 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 41 G 8.38 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 42 E 8.14 4.09 0.00 1.93 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 2.35 2.31 0.00 43 I 8.43 4.79 1.84 0.00 0.00 0.57 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 0.68 0.90 0.00 0.00 44 V 9.26 4.53 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 1.06 0.00 0.00 0.99 0.00 0.00 45 F 9.08 4.12 0.00 3.00 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 46 L 7.79 3.99 0.00 1.38 1.10 0.77 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47 I 6.32 4.21 1.70 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 1.39 1.30 0.81 0.00 0.00 48 R 8.49 5.21 0.00 1.32 2.15 0.00 3.26 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 49 Q 8.35 4.31 0.00 1.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.52 0.00 50 D 8.18 4.58 0.00 2.02 1.54 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 51 S 7.71 3.63 0.00 2.72 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 52 Y 6.67 4.36 0.00 3.02 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 53 K 7.71 4.38 0.00 1.67 1.76 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.41 0.97 7.81 54 K 8.82 4.17 0.00 1.78 1.91 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.46 7.81 55 E 7.24 4.65 0.00 2.16 1.89 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 2.29 2.28 0.00 56 N 8.58 4.86 0.00 2.64 2.99 0.00 0.00 6.91 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 57 A 9.18 4.23 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 58 T 8.30 4.98 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 1.21 0.00 0.00 59 V 8.95 4.23 2.17 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 1.01 0.00 0.00 0.96 0.00 0.00 60 G 8.32 3.64 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 0.00 0.00 0.00 61 H 8.46 4.61 0.00 3.34 3.32 0.00 5.45 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.61 5.13 0.00 3.07 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 63 S 9.02 5.10 0.00 3.69 3.67 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 64 L 8.42 4.98 0.00 1.56 1.62 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.80 4.88 0.00 2.83 2.69 0.00 0.00 7.01 7.87 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 66 F 9.69 5.00 0.00 2.97 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 67 Q 8.65 4.30 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.35 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 68 K 6.84 3.90 0.00 1.08 1.53 0.00 2.06 0.00 0.00 1.92 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.67 7.81 69 P 0.00 4.22 0.00 2.02 2.06 0.00 3.56 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 70 K 8.23 4.15 0.00 1.74 1.80 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 71 S 7.79 3.16 0.00 3.63 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 72 S 7.71 5.26 0.00 3.87 3.71 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 73 I 8.63 5.32 2.25 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.62 1.15 0.00 0.00 74 G 8.33 3.90 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 0.00 0.00 0.00 75 L 8.46 4.40 0.00 0.27 0.13 0.56 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.74 4.63 1.91 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 1.14 0.40 0.84 0.00 0.00 77 I 8.58 4.61 1.75 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.66 0.81 0.00 0.00 78 T 8.70 4.30 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 1.18 0.00 0.00 79 A 8.55 4.23 1.26 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 80 T 8.87 4.23 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 1.26 0.00 0.00 81 Q 8.72 5.08 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 82 I 8.11 3.85 1.88 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 1.42 0.99 0.93 0.00 0.00 83 E 8.18 4.07 0.00 2.00 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 2.33 2.35 0.00 84 D 7.94 4.81 0.00 2.80 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 85 S 8.03 4.63 0.00 3.84 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 86 A 8.36 4.27 1.04 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 0.00 0.00 87 V 7.86 4.40 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 0.26 0.00 0.00 0.92 0.00 0.00 88 Y 8.76 4.90 0.00 3.19 3.20 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 89 F 9.76 5.40 0.00 3.32 3.29 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 90 C 8.30 4.43 0.00 1.36 2.47 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 91 A 8.78 5.00 0.36 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 M 8.59 5.25 0.00 1.98 1.69 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 93 R 8.28 4.51 0.00 2.11 1.97 0.00 3.49 0.00 0.00 3.17 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.72 0.00 *95 G 8.06 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 96 D 7.86 4.66 0.00 2.75 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 97 Y 8.92 4.48 0.00 3.18 2.99 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 0.00 0.00 0.00 98 G 9.96 3.68 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 0.00 0.00 0.00 99 G 8.17 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 0.00 0.00 0.00 100 S 7.61 3.97 0.00 3.93 3.90 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 0.00 101 G 8.11 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 0.00 102 N 7.40 4.93 0.00 2.61 2.68 0.00 0.00 6.80 7.61 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 0.00 103 K 9.29 4.33 0.00 1.79 1.82 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.45 7.81 104 L 8.50 4.75 0.00 1.50 1.12 0.62 0.66 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 0.00 105 I 8.90 4.49 1.96 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 1.26 0.95 0.92 0.00 0.00 106 F 8.83 5.17 0.00 2.73 2.85 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 0.00 0.00 0.00 0.00 107 G 9.04 4.17 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 0.00 0.00 0.00 108 T 8.68 4.31 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 1.28 0.00 0.00 109 G 8.51 3.64 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 0.00 0.00 0.00 110 T 8.25 4.76 4.36 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 1.26 0.00 0.00 111 L 8.89 4.68 0.00 1.79 1.55 0.95 0.25 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 0.00 112 L 9.06 5.31 0.00 1.79 1.83 0.93 0.56 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 0.00 113 S 9.42 4.99 0.00 3.84 3.71 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 0.00 114 V 8.17 4.71 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 0.79 0.00 0.00 0.98 0.00 0.00 115 K 8.82 4.52 0.00 1.89 1.64 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.38 7.81 116 P 0.00 4.42 0.00 2.21 2.05 0.00 3.85 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 2.00 1.99 0.00 * Residues marked with a * may have inaccurate shift predictions.