NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.5078 8.1933 115.2954 58.1650 63.5152 174.2990 8 T 3.8020 8.6286 125.6005 66.1084 68.3180 174.9700 9 A 4.0001 8.1966 122.4894 55.1046 18.8949 178.8846 10 L 4.1894 8.1380 118.4339 58.4545 42.2146 179.1821 11 R 3.8204 8.2860 118.6005 59.4549 29.9872 178.1366 12 E 3.9854 8.6501 118.8404 59.4103 29.4139 179.2379 13 L 3.9932 8.1511 120.0448 58.2241 42.1705 178.7460 14 I 3.6652 7.8702 119.8280 64.7520 37.0307 178.0959 15 E 3.9271 8.5871 119.4233 59.4617 29.1798 179.2149 16 E 3.9297 8.4247 119.4570 59.1163 29.7329 178.8020 17 L 3.9624 8.2738 119.4655 57.7599 41.3543 179.4172 18 V 3.5487 8.0285 118.5065 66.1437 31.1723 177.4547 19 N 4.3390 8.0842 115.4247 56.7645 38.9442 176.5054 20 I 4.0270 7.9326 112.6854 62.6744 37.9952 176.9976 21 T 4.5031 7.4749 109.8925 61.4512 69.1033 175.2147 22 Q 3.8078 7.6766 119.5749 59.0589 28.7647 176.1566 *26 A 3.9577 7.6715 120.1108 50.8195 18.6935 172.7986 27 P 4.2429 0.0000 0.0000 63.3769 30.5098 177.3624 28 L 3.4647 7.4031 122.7107 57.6335 43.5846 177.8548 29 C 4.7373 7.6229 113.6962 59.7341 40.8720 175.2404 30 N 3.9488 8.9999 118.6703 54.5304 35.9561 174.9544 31 G 3.7543 7.8675 102.1939 46.9228 0.0000 172.5569 32 S 4.8297 8.1192 114.7808 56.5683 65.7113 173.6702 33 M 5.0845 8.4415 122.3738 53.6304 34.6820 175.3515 34 V 4.2960 8.3758 115.0057 58.8777 36.0697 174.8892 35 W 4.9841 8.3482 122.1159 56.4007 29.6928 176.7846 36 S 4.9672 8.7226 118.9029 58.7416 63.6493 172.7847 37 I 4.5429 7.9956 112.7393 59.2605 40.2639 173.9119 38 N 4.4050 8.5682 119.1753 53.6578 38.1373 174.3943 39 L 4.2265 8.1862 125.4425 55.5951 42.2188 177.7405 40 T 3.9407 7.9340 112.5981 62.8496 67.5300 173.7711 41 A 4.4319 7.6068 123.1717 51.3156 21.1141 176.2943 42 G 4.0025 8.7109 113.9963 46.7767 0.0000 173.0632 43 M 3.8525 7.8953 120.3700 59.1088 32.5158 176.6909 44 Y 4.1577 7.6061 115.6994 61.4193 38.1533 179.1940 45 C 4.3838 8.3590 116.6965 59.8459 41.1690 175.6411 46 A 3.9987 8.1524 122.1993 55.3826 18.0623 179.6162 47 A 4.3277 8.3684 119.3310 55.2139 18.4521 179.6576 48 L 3.9537 8.2243 118.8842 58.3415 42.0061 178.7760 49 E 3.9965 8.6215 117.6149 59.9141 29.5900 179.4905 50 S 4.2741 8.1534 112.7415 60.1667 62.7236 175.4748 51 L 4.4101 7.4296 119.7724 54.7051 42.4074 177.9819 52 I 3.8356 7.8741 118.1999 62.9485 37.9772 175.7023 53 N 4.6966 7.7146 114.5030 52.7973 39.1350 174.7905 54 V 3.6139 7.3975 119.2093 63.1785 31.4870 175.5970 55 S 4.6510 8.6989 121.7564 58.5274 64.2174 174.4932 56 G 4.0949 7.8677 109.8652 45.3917 0.0000 173.4617 57 C 4.7951 8.0435 120.5809 53.5305 39.0479 174.1006 58 S 4.1968 8.7616 124.5646 60.3753 62.5528 175.8276 59 A 4.0781 8.0423 123.2352 54.1700 18.3467 178.0267 60 I 4.1801 7.3524 115.4452 61.2536 38.4032 177.1682 61 E 3.9393 7.9051 119.1970 60.0631 29.3821 178.8295 62 K 3.9982 8.0472 118.9611 59.8225 32.2034 178.2865 63 T 3.9020 8.0305 115.4409 67.0762 68.4262 175.9370 64 Q 4.0538 8.3384 119.6683 59.2370 28.5678 179.5404 65 R 3.9324 7.9129 117.4244 59.6130 30.2395 178.6354 66 M 4.2258 8.5356 118.8141 58.5936 32.0567 178.9257 67 L 4.3166 8.5516 119.6334 57.6747 41.9310 179.6206 68 S 4.3537 8.0765 113.9218 61.0272 62.6735 176.6893 69 G 3.4920 7.6735 108.6045 46.7817 0.0000 174.2449 70 F 4.3216 7.7584 117.5336 57.6170 39.8303 174.8847 71 C 4.6873 7.7281 121.4253 54.8195 44.1983 171.5659 72 P 4.7941 0.0000 0.0000 62.8483 31.1175 175.0258 73 H 4.9846 7.3131 112.5955 53.7209 31.5915 172.9093 74 K 4.0136 8.6145 121.9372 56.2899 32.6117 176.3868 75 V 4.2910 8.3250 125.5983 61.4251 32.3076 174.7808 76 S 4.7501 8.3807 123.0903 56.5500 64.7444 174.3092 77 A 4.2329 8.3247 126.0360 53.2176 18.8240 177.7270 78 G 3.9452 9.4242 107.2858 46.3446 0.0000 174.0650 79 Q 4.5047 7.7972 117.3128 54.1759 30.1839 175.1981 80 F 4.4138 8.6388 122.9882 58.1328 39.8594 173.7921 81 S 4.3023 7.0184 121.5527 58.4380 65.4063 174.9837 82 S 3.8596 6.1648 112.5060 57.8674 64.9467 174.5658 83 L 4.1832 8.3346 119.5306 55.2544 40.6507 176.0462 84 H 4.0308 7.2566 114.5821 56.0618 26.4707 176.7597 85 V 3.5547 7.5820 119.9845 65.8741 31.9956 176.9791 86 R 4.1383 7.7598 114.1038 58.0738 30.1125 176.0271 87 D 4.7348 7.3216 118.9399 54.9256 41.8601 174.5484 88 T 5.0612 8.3186 112.9499 61.0068 70.8868 172.4551 89 K 4.4369 8.5807 128.5258 56.0681 32.7581 176.1856 90 I 4.7271 8.6878 118.1171 58.5549 41.8004 174.8396 91 E 4.4279 8.5803 121.7456 56.0658 30.3331 178.2911 92 V 3.5494 8.3411 121.7364 66.4229 31.3690 178.4133 93 A 4.0737 8.0474 119.6594 55.4185 18.1689 179.5119 94 Q 3.9282 8.0442 115.9390 58.8987 28.8235 178.4538 95 F 3.9488 8.2160 121.6443 61.3973 39.4858 177.3606 96 V 3.7076 8.5534 118.1559 66.0192 31.2167 178.0620 97 K 3.9998 8.3943 118.5547 59.3007 31.7782 178.8109 98 D 4.1865 8.1742 118.3303 57.2022 41.1720 177.7283 99 L 3.7129 7.8386 121.2360 58.1846 41.8823 178.4983 100 L 3.8906 8.2071 120.3135 58.3109 42.0167 178.7642 101 L 3.9258 7.5894 118.4256 58.4449 41.7148 179.4292 102 H 4.0836 7.9922 115.4267 58.7032 28.5410 178.0007 103 L 3.9334 8.0867 120.9318 57.6438 41.3988 179.5180 104 K 3.9510 8.3268 118.8405 59.3444 31.9829 179.2647 105 K 3.9448 8.0010 119.6554 59.5818 32.1683 178.8674 106 L 4.1078 7.8646 119.0029 57.5819 41.2307 179.3710 107 F 4.0792 8.2238 119.9352 61.4975 39.4924 177.1859 108 R 4.1403 8.2959 116.6447 59.3380 29.9092 178.6787 109 E 4.0977 8.6205 118.1658 57.4310 29.5185 177.2341 110 G 3.9019 7.8809 111.8405 45.5446 0.0000 172.9427 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 7 S 8.19 4.51 0.00 3.99 4.01 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 8 T 8.63 3.80 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 1.25 0.00 0.00 9 A 8.20 4.00 1.15 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 0.00 0.00 10 L 8.14 4.19 0.00 2.11 2.15 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.29 3.82 0.00 2.21 2.20 0.00 3.16 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 12 E 8.65 3.99 0.00 2.24 2.04 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 2.57 2.48 0.00 13 L 8.15 3.99 0.00 1.98 1.96 1.02 0.91 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 14 I 7.87 3.67 1.90 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.64 0.77 0.00 0.00 15 E 8.59 3.93 0.00 2.16 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 2.28 2.50 0.00 16 E 8.42 3.93 0.00 2.09 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 0.00 2.34 2.42 0.00 17 L 8.27 3.96 0.00 1.84 1.71 0.94 0.75 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 18 V 8.03 3.55 2.20 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 0.97 0.00 0.00 0.96 0.00 0.00 19 N 8.08 4.34 0.00 2.75 3.00 0.00 0.00 7.35 7.99 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 20 I 7.93 4.03 1.88 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 1.90 0.72 1.06 0.00 0.00 21 T 7.47 4.50 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 1.23 0.00 0.00 22 Q 7.68 3.81 0.00 2.22 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 *26 A 7.67 3.96 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 27 P 0.00 4.24 0.00 2.22 2.24 0.00 3.73 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 2.06 1.94 0.00 28 L 7.40 3.46 0.00 1.62 1.62 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.62 4.74 0.00 2.96 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 30 N 9.00 3.95 0.00 2.82 3.14 0.00 0.00 6.90 7.03 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 31 G 7.87 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 32 S 8.12 4.83 0.00 3.80 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 33 M 8.44 5.08 0.00 1.68 1.68 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 34 V 8.38 4.30 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 0.54 0.00 0.00 0.51 0.00 0.00 35 W 8.35 4.98 0.00 3.05 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 36 S 8.72 4.97 0.00 4.03 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 37 I 8.00 4.54 1.94 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.71 0.97 0.00 0.00 38 N 8.57 4.41 0.00 2.68 2.79 0.00 0.00 6.95 7.78 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 39 L 8.19 4.23 0.00 1.22 1.32 0.41 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.93 3.94 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 1.23 0.00 0.00 41 A 7.61 4.43 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 42 G 8.71 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.90 3.85 0.00 1.64 2.06 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.21 0.00 44 Y 7.61 4.16 0.00 3.17 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 45 C 8.36 4.38 0.00 3.06 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 46 A 8.15 4.00 1.45 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 0.00 0.00 0.00 47 A 8.37 4.33 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 0.00 0.00 48 L 8.22 3.95 0.00 1.98 1.89 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.62 4.00 0.00 2.17 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 2.66 2.57 0.00 50 S 8.15 4.27 0.00 3.34 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 51 L 7.43 4.41 0.00 1.77 1.63 1.07 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.87 3.84 2.06 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 1.54 0.63 0.95 0.00 0.00 53 N 7.71 4.70 0.00 2.73 2.82 0.00 0.00 6.88 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 54 V 7.40 3.61 2.04 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 0.74 0.00 0.00 0.91 0.00 0.00 55 S 8.70 4.65 0.00 4.00 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 56 G 7.87 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 57 C 8.04 4.80 0.00 2.89 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 58 S 8.76 4.20 0.00 4.09 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 59 A 8.04 4.08 1.32 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 0.00 0.00 0.00 60 I 7.35 4.18 1.87 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 1.52 1.56 0.99 0.00 0.00 61 E 7.91 3.94 0.00 2.21 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 2.34 2.32 0.00 62 K 8.05 4.00 0.00 1.83 1.82 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.55 7.81 63 T 8.03 3.90 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 1.28 0.00 0.00 64 Q 8.34 4.05 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 65 R 7.91 3.93 0.00 1.96 2.00 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 66 M 8.54 4.23 0.00 2.14 2.40 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.63 0.00 67 L 8.55 4.32 0.00 1.92 1.87 1.04 0.78 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 68 S 8.08 4.35 0.00 4.06 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 0.00 69 G 7.67 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.76 4.32 0.00 2.69 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 0.00 0.00 0.00 0.00 71 C 7.73 4.69 0.00 3.09 2.92 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 72 P 0.00 4.79 0.00 2.25 2.14 0.00 3.78 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 73 H 7.31 4.98 0.00 3.31 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.61 4.01 0.00 1.76 1.79 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 75 V 8.32 4.29 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 0.98 0.00 0.00 0.99 0.00 0.00 76 S 8.38 4.75 0.00 3.92 3.78 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 77 A 8.32 4.23 1.27 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 78 G 9.42 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 0.00 0.00 0.00 79 Q 7.80 4.50 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.54 2.31 0.00 80 F 8.64 4.41 0.00 2.99 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 81 S 7.02 4.30 0.00 3.54 3.53 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 82 S 6.16 3.86 0.00 3.64 3.50 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 0.00 0.00 0.00 0.00 83 L 8.33 4.18 0.00 1.74 1.82 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 84 H 7.26 4.03 0.00 1.50 2.14 0.00 5.82 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.58 3.55 2.04 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 0.80 0.00 0.00 0.86 0.00 0.00 86 R 7.76 4.14 0.00 1.97 2.03 0.00 3.10 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 87 D 7.32 4.73 0.00 2.70 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 88 T 8.32 5.06 4.35 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 1.30 0.00 0.00 89 K 8.58 4.44 0.00 1.36 1.37 0.00 1.10 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.30 0.57 7.81 90 I 8.69 4.73 1.90 0.00 0.00 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 1.44 1.19 0.94 0.00 0.00 91 E 8.58 4.43 0.00 2.05 1.90 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 2.37 2.26 0.00 92 V 8.34 3.55 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 0.86 0.00 0.00 0.90 0.00 0.00 93 A 8.05 4.07 1.34 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 0.00 0.00 94 Q 8.04 3.93 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 95 F 8.22 3.95 0.00 3.11 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 96 V 8.55 3.71 2.15 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 1.03 0.00 0.00 1.13 0.00 0.00 97 K 8.39 4.00 0.00 1.89 1.83 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.52 7.81 98 D 8.17 4.19 0.00 2.88 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 3.71 0.00 1.58 1.82 0.83 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.21 3.89 0.00 1.86 1.84 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.59 3.93 0.00 1.81 1.63 0.88 1.48 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 0.00 102 H 7.99 4.08 0.00 3.26 3.23 0.00 5.81 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 0.00 103 L 8.09 3.93 0.00 1.82 1.69 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.33 3.95 0.00 1.92 1.86 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.53 7.81 105 K 8.00 3.94 0.00 1.82 1.91 0.00 1.58 0.00 0.00 1.59 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.47 7.81 106 L 7.86 4.11 0.00 1.99 1.74 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.22 4.08 0.00 3.11 3.31 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 0.00 108 R 8.30 4.14 0.00 2.02 2.02 0.00 3.26 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.02 0.00 109 E 8.62 4.10 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 2.34 2.49 0.00 110 G 7.88 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 * Residues marked with a * may have inaccurate shift predictions.