NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 D 4.5610 8.2227 120.1916 54.3436 41.1696 175.3094 12 S 3.9867 8.2528 117.8485 59.0631 63.2910 172.5485 13 N 4.7448 7.4807 119.3538 53.5351 38.6643 175.1001 14 T 4.5383 7.4602 111.1034 60.2471 70.6337 172.3479 15 K 4.4764 8.7057 128.2928 54.7831 33.7367 177.2881 16 G 4.0104 8.4144 110.6520 43.2571 0.0000 173.9499 17 W 4.8833 8.8810 129.0933 61.0830 30.3895 178.0677 18 S 3.8359 8.0956 114.2441 61.4872 62.3995 176.1113 19 E 3.9021 8.1198 121.5847 59.0227 29.1820 178.8216 20 V 3.5856 7.8045 117.6416 65.9895 32.0711 177.6102 21 L 3.8533 7.6090 118.6989 57.6097 41.3036 179.2662 22 K 4.2915 7.6743 121.2901 58.9413 31.8944 178.6348 23 G 3.7627 7.9786 103.5631 46.3820 0.0000 174.9446 24 S 4.3958 7.8024 115.6412 58.7728 63.7135 173.9009 25 E 4.1686 7.2957 122.8138 56.9235 30.6798 175.7565 26 C 4.9306 8.7386 123.4401 56.9310 45.2053 172.3716 27 K 4.5336 8.7933 124.8118 55.2621 36.2004 172.9200 28 P 4.7666 0.0000 0.0000 62.7711 31.8760 176.5060 29 R 4.8346 9.5678 123.6375 53.4522 34.5333 172.8885 30 P 4.9731 0.0000 0.0000 62.8239 32.2283 175.5752 31 I 4.6837 8.7869 116.4031 58.9840 41.3398 174.2803 32 V 4.3335 8.3239 124.2551 62.4483 32.4111 175.2382 33 V 4.4949 8.8235 127.5849 60.3125 34.9298 172.9682 34 P 4.7707 0.0000 0.0000 62.2090 32.3453 177.4352 35 V 3.6672 8.8530 123.6599 66.2002 31.2173 178.5493 36 S 4.3383 8.1207 112.2796 61.2728 62.8363 175.7039 37 E 4.1199 7.8224 122.9566 59.3940 29.5088 178.5217 38 T 4.2745 7.9733 108.3494 63.4071 70.0968 173.9727 39 H 4.8231 7.7840 118.4919 53.1251 28.7208 172.5059 40 P 4.7049 0.0000 0.0000 62.0029 31.3481 177.3229 41 E 4.6018 7.7717 111.7813 55.2131 29.6954 173.1802 *44 S 4.8041 7.6935 114.0281 60.4650 64.8769 171.9411 45 Q 4.3789 7.7722 116.4800 56.6111 30.2878 172.7535 46 R 4.0166 8.3053 117.5635 56.6683 30.6937 175.8007 47 F 5.0997 8.6286 120.7372 55.6338 43.2828 173.4173 48 N 4.9744 9.4013 121.4976 51.0767 41.4445 171.9604 49 P 4.9125 0.0000 0.0000 61.9664 32.6639 175.7686 50 P 4.5362 0.0000 0.0000 63.7260 31.8721 175.2621 51 C 5.2612 7.4108 113.0328 56.9091 33.1108 173.5285 52 V 4.3793 8.7304 119.0570 61.5057 35.1450 174.0735 53 T 4.8778 8.2955 122.6610 62.4529 69.4946 174.0960 54 L 4.7440 8.6773 126.6650 52.8365 45.5905 175.7685 55 M 4.7147 8.4606 122.4561 55.3756 33.1268 175.5829 56 R 4.7741 9.0874 122.2740 54.1800 35.1494 174.0408 57 C 4.9222 9.1660 119.6704 57.4907 42.1851 173.0998 58 G 3.8793 9.0771 109.4101 45.7731 0.0000 170.2029 59 G 4.6005 8.4573 103.9146 44.5848 0.0000 172.7759 60 C 4.8545 8.3902 113.4340 56.4900 32.1359 173.1409 61 C 4.6794 8.4063 118.7958 55.7987 41.2192 174.3519 62 N 4.3630 8.7300 120.3010 55.7845 39.0009 174.7179 63 D 4.9520 7.5428 118.0872 51.7504 43.6895 176.2370 64 E 4.1057 8.8957 124.2351 58.7334 30.0004 177.6461 65 S 4.4379 8.5405 113.5882 58.7686 63.6639 173.2950 66 L 5.2893 7.5859 120.9555 53.2096 44.3936 175.3921 67 E 4.6664 9.0073 121.3731 54.5116 33.4382 174.0597 68 C 5.0298 8.9050 126.3931 56.3456 44.6488 172.7228 69 V 4.8140 8.6561 120.1390 58.4208 35.3528 173.5744 70 P 4.9325 0.0000 0.0000 63.2622 31.4223 176.0629 71 T 4.5358 8.7773 113.0300 61.6548 70.4977 174.2147 72 E 4.8027 7.9179 121.4975 54.7551 34.0843 174.1336 73 E 5.1590 8.7561 121.8915 54.8925 33.3930 175.0798 74 V 4.6251 8.6946 116.0763 59.6867 36.5991 174.0074 75 N 5.3784 8.6540 118.7155 52.2577 40.2641 175.0757 76 V 4.4843 8.8920 122.2516 61.4985 34.7323 174.2519 77 T 5.1222 8.6362 124.0745 62.6665 70.3057 174.0546 78 M 5.0057 9.3688 124.9501 53.4955 36.4144 173.9809 79 E 5.0513 8.8630 121.0147 55.2970 31.4676 175.3509 80 L 4.9526 9.1823 122.7836 52.7307 46.5845 175.0810 81 L 4.7203 8.7507 124.1802 54.4711 42.7247 177.2809 82 G 3.9035 8.6684 111.3861 46.3302 0.0000 172.3783 *91 M 4.4410 7.8182 118.7310 55.5551 33.3268 174.1081 92 Q 4.7379 9.1462 123.3449 54.5117 34.0659 173.6720 93 R 5.1140 8.5700 119.6981 54.6030 32.3802 175.6640 94 L 4.7039 9.2441 123.0885 52.8552 45.6900 175.2678 95 S 5.2243 8.2928 116.5766 56.7580 64.3436 172.9838 96 F 4.9683 9.2928 124.2141 55.7612 43.5931 173.5693 97 V 4.7655 8.5043 120.3247 61.7462 32.8182 174.8418 98 E 4.9688 9.2719 126.8276 54.9701 33.2843 174.3182 99 H 5.3866 8.7450 118.9142 54.5967 29.7199 175.0311 100 K 4.4855 8.9533 122.5460 56.9514 33.7081 176.5091 101 K 4.7007 7.7059 119.5859 55.3761 35.7015 175.1935 102 C 5.5483 8.4949 121.0674 55.8870 45.4266 172.5755 103 D 4.7526 8.6930 118.0987 53.4367 44.9030 173.6229 104 C 5.0983 8.7653 122.2198 56.7661 40.4214 173.1985 105 R 4.8752 8.7692 122.7447 53.2206 33.7579 173.5028 106 P 4.7137 0.0000 0.0000 63.2262 32.1334 176.3475 107 R 4.1380 8.4523 122.4205 56.0420 30.7567 176.4214 108 F 4.5237 8.9691 126.5972 58.0984 39.7563 174.3911 109 T 4.3550 7.9800 117.7320 59.8934 71.2550 174.1443 110 T 3.9309 7.9161 118.4944 63.7490 68.9677 174.1104 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 11 D 8.22 4.56 0.00 2.77 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 12 S 8.25 3.99 0.00 3.96 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 13 N 7.48 4.74 0.00 3.07 2.80 0.00 0.00 6.62 7.42 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 14 T 7.46 4.54 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 1.28 0.00 0.00 15 K 8.71 4.48 0.00 1.81 1.75 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.43 7.81 16 G 8.41 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 0.00 0.00 0.00 17 W 8.88 4.88 0.00 3.29 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 18 S 8.10 3.84 0.00 3.88 3.82 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 0.00 0.00 0.00 19 E 8.12 3.90 0.00 2.03 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 0.00 2.38 2.36 0.00 20 V 7.80 3.59 2.43 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 1.04 0.00 0.00 1.12 0.00 0.00 21 L 7.61 3.85 0.00 1.48 1.38 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.67 4.29 0.00 1.82 1.91 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.42 7.81 23 G 7.98 3.76 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 0.00 0.00 0.00 24 S 7.80 4.40 0.00 4.08 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 0.00 25 E 7.30 4.17 0.00 1.94 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 2.28 2.47 0.00 26 C 8.74 4.93 0.00 2.98 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 27 K 8.79 4.53 0.00 1.81 1.84 0.00 1.35 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.45 1.38 7.81 28 P 0.00 4.77 0.00 1.96 2.23 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 29 R 9.57 4.83 0.00 1.61 1.74 0.00 3.11 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 30 P 0.00 4.97 0.00 2.04 2.02 0.00 3.69 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 1.96 1.94 0.00 31 I 8.79 4.68 1.84 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 1.18 1.17 0.89 0.00 0.00 32 V 8.32 4.33 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 0.73 0.00 0.00 0.90 0.00 0.00 33 V 8.82 4.49 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 1.01 0.00 0.00 0.94 0.00 0.00 34 P 0.00 4.77 0.00 2.25 1.98 0.00 3.75 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 2.26 2.07 0.00 35 V 8.85 3.67 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 0.42 0.00 0.00 0.89 0.00 0.00 36 S 8.12 4.34 0.00 4.18 4.18 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 37 E 7.82 4.12 0.00 1.98 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 0.00 2.35 2.34 0.00 38 T 7.97 4.27 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 39 H 7.78 4.82 0.00 3.04 3.36 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.70 0.00 2.05 2.09 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.23 0.00 41 E 7.77 4.60 0.00 2.07 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 2.30 2.28 0.00 *44 S 7.69 4.80 0.00 3.98 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 45 Q 7.77 4.38 0.00 1.85 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.94 0.00 0.00 0.00 0.00 0.00 1.88 1.30 0.00 46 R 8.31 4.02 0.00 1.67 1.83 0.00 3.09 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 47 F 8.63 5.10 0.00 2.98 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 48 N 9.40 4.97 0.00 2.82 2.80 0.00 0.00 6.93 8.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.91 0.00 2.31 1.96 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 50 P 0.00 4.54 0.00 2.26 2.35 0.00 3.84 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 2.09 1.94 0.00 51 C 7.41 5.26 0.00 2.94 2.87 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 52 V 8.73 4.38 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.68 0.00 0.00 53 T 8.30 4.88 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 1.15 0.00 0.00 54 L 8.68 4.74 0.00 1.44 1.43 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 55 M 8.46 4.71 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.48 0.00 56 R 9.09 4.77 0.00 1.57 1.66 0.00 3.12 0.00 0.00 2.52 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.65 0.00 57 C 9.17 4.92 0.00 2.93 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 58 G 9.08 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 0.00 0.00 0.00 59 G 8.46 4.60 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 0.00 0.00 0.00 60 C 8.39 4.85 0.00 3.03 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 61 C 8.41 4.68 0.00 3.01 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 62 N 8.73 4.36 0.00 2.68 2.85 0.00 0.00 6.72 8.47 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 63 D 7.54 4.95 0.00 2.85 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 0.00 0.00 0.00 0.00 64 E 8.90 4.11 0.00 2.12 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 2.28 2.25 0.00 65 S 8.54 4.44 0.00 4.05 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 66 L 7.59 5.29 0.00 1.68 1.61 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 67 E 9.01 4.67 0.00 2.00 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 2.21 2.24 0.00 68 C 8.90 5.03 0.00 3.03 3.02 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 69 V 8.66 4.81 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 0.85 0.00 0.00 0.99 0.00 0.00 70 P 0.00 4.93 0.00 1.81 1.44 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.73 0.00 71 T 8.78 4.54 4.22 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 1.19 0.00 0.00 72 E 7.92 4.80 0.00 1.87 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 2.27 2.31 0.00 73 E 8.76 5.16 0.00 1.77 1.81 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 2.16 2.25 0.00 74 V 8.69 4.63 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 0.77 0.00 0.00 0.95 0.00 0.00 75 N 8.65 5.38 0.00 2.61 2.75 0.00 0.00 6.60 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 76 V 8.89 4.48 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 1.08 0.00 0.00 0.98 0.00 0.00 77 T 8.64 5.12 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 1.28 0.00 0.00 78 M 9.37 5.01 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 79 E 8.86 5.05 0.00 2.06 1.97 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 2.24 2.35 0.00 80 L 9.18 4.95 0.00 1.60 1.64 0.83 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.75 4.72 0.00 1.78 1.74 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.67 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 *91 M 7.82 4.44 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 92 Q 9.15 4.74 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 93 R 8.57 5.11 0.00 1.67 1.83 0.00 3.16 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 94 L 9.24 4.70 0.00 1.34 0.91 0.35 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.29 5.22 0.00 3.79 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 0.00 96 F 9.29 4.97 0.00 2.98 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 97 V 8.50 4.77 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 0.85 0.00 0.00 0.95 0.00 0.00 98 E 9.27 4.97 0.00 1.93 1.81 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 2.27 2.26 0.00 99 H 8.75 5.39 0.00 3.08 3.19 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.95 4.49 0.00 1.62 1.85 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.51 7.81 101 K 7.71 4.70 0.00 1.78 1.57 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.46 7.81 102 C 8.49 5.55 0.00 2.82 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 0.00 103 D 8.69 4.75 0.00 2.76 2.43 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 0.00 104 C 8.77 5.10 0.00 2.90 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 0.00 105 R 8.77 4.88 0.00 1.70 1.78 0.00 3.31 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 106 P 0.00 4.71 0.00 1.96 2.04 0.00 3.69 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 2.05 2.16 0.00 107 R 8.45 4.14 0.00 1.73 1.89 0.00 3.17 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 108 F 8.97 4.52 0.00 2.90 3.02 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 0.00 109 T 7.98 4.35 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 1.18 0.00 0.00 110 T 7.92 3.93 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.