NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3023 8.2549 120.8608 56.1216 31.1567 174.5217 6 V 4.3378 8.0592 118.1086 58.3074 34.7184 173.8336 7 N 4.4225 8.7804 122.7022 56.3887 39.7661 174.3762 8 S 4.7097 7.4785 108.4413 57.6314 65.8214 172.6690 9 D 4.9002 8.2883 117.5131 54.3829 41.8318 177.2668 10 V 3.8689 8.0106 112.2480 62.0225 32.3842 175.9263 11 L 4.7118 7.6982 121.0809 53.2818 42.8716 175.4526 12 T 5.0991 8.3438 113.4473 59.7577 72.2935 173.2429 13 V 4.3858 8.8392 123.3236 61.3686 34.2350 174.5285 14 S 5.1938 8.6186 123.7629 57.6978 63.9757 173.5111 15 T 4.6867 8.8512 115.9000 59.6648 71.2823 173.2654 16 V 4.5973 8.5169 126.6079 60.9284 32.3060 174.7587 17 N 4.5094 9.2555 122.6785 54.4677 38.4488 175.6279 *21 Q 4.2676 7.4356 120.1170 54.2403 30.8330 173.5454 22 V 4.6740 7.5798 119.3984 61.7846 32.9280 174.6234 23 T 4.6985 8.8110 124.7016 61.8243 71.8947 173.0288 24 Q 5.0514 8.6885 124.8170 54.4799 30.1669 175.1610 25 K 4.7226 8.7453 123.0398 53.9385 36.5152 173.9223 26 P 4.5699 0.0000 0.0000 63.2837 31.9705 177.1288 27 L 3.9476 8.9050 125.4774 58.2621 41.8489 179.5916 28 R 3.9537 8.0444 115.5939 59.4672 29.1130 178.4543 29 D 4.3230 8.1028 119.5527 57.2730 40.6667 178.8670 30 S 4.1089 7.9870 115.8358 61.2821 62.7139 176.7815 31 V 3.4992 7.6692 120.4568 65.9405 31.3594 177.8208 32 K 3.8452 8.1814 118.3457 59.7332 31.8597 179.2353 33 Q 3.9372 8.1794 117.7333 58.8947 28.5802 178.7192 34 A 3.9366 8.1812 121.9728 55.2480 18.3978 179.7210 35 L 3.5473 7.9643 117.5770 57.5481 41.6813 179.5731 36 K 3.8752 8.2603 120.0110 59.6049 31.8943 178.3810 37 N 4.3447 8.1937 116.4883 56.6203 38.9251 175.9371 38 Y 4.2457 7.8381 120.3656 60.8688 39.1350 177.8633 39 F 4.6266 8.4550 118.8479 60.2502 38.6769 177.7656 40 A 4.6104 7.7111 118.0125 51.0009 19.1850 177.8049 41 Q 4.4307 8.2466 115.2662 57.3138 30.1582 171.0494 *46 D 4.3057 8.2981 123.2939 54.8720 42.0562 175.2086 47 V 4.4560 8.3048 124.0627 61.4606 33.1355 174.9585 48 N 5.1726 8.6802 120.4836 52.5099 38.8407 173.9859 49 D 4.9116 7.8658 118.0789 52.2692 40.2517 177.2690 50 L 3.9616 8.4075 123.8951 59.3451 42.0330 177.2738 51 Y 4.0077 8.0229 119.0292 60.7428 38.8553 177.3877 52 E 3.8679 8.2932 119.7658 58.9969 29.7255 178.0872 53 L 3.8507 7.8608 120.3840 58.3697 42.0184 179.2724 54 V 3.4354 7.7488 117.9791 65.6804 31.4400 177.6168 55 L 3.6958 8.0924 120.1880 58.1061 41.3311 178.8594 56 A 4.3918 8.1595 122.3053 54.7916 18.1274 179.4445 57 E 3.9094 7.8280 115.3626 58.5002 29.5835 178.7707 58 V 3.9695 7.1478 118.0727 64.7456 32.3337 177.6668 59 E 3.9055 8.4021 118.7186 59.2590 29.2055 179.1760 60 Q 3.5256 7.1222 117.3179 58.4174 28.7140 177.3935 61 P 4.1527 0.0000 0.0000 65.5069 31.2610 178.1345 62 L 3.8553 7.5752 120.1445 57.9776 41.9954 178.9236 63 L 3.9541 8.3482 119.1685 57.7995 41.5926 178.9719 64 D 4.3113 8.1973 117.9890 57.7248 41.1424 178.2969 65 M 4.0787 8.2429 119.3327 58.3532 31.8833 179.0244 66 V 3.6344 8.0049 118.4894 66.3003 31.6748 177.9799 67 M 4.0725 8.4282 118.9014 58.4268 31.8137 178.5560 68 Q 3.9059 8.2161 119.7208 59.2792 29.0247 177.6018 69 Y 4.0659 8.0787 119.8177 60.5942 39.1543 177.2634 70 T 4.2576 8.2443 108.9412 60.5031 69.3283 174.7952 71 R 3.5504 8.5075 118.5038 57.9823 28.1069 176.7790 72 D 4.4334 8.8720 114.1935 55.0122 39.5533 174.9572 73 N 4.4900 7.9545 118.7304 53.2555 39.0730 175.0752 74 Q 4.0576 8.7114 128.6272 59.3333 28.7679 179.2958 75 T 3.8989 7.7911 116.1939 66.7708 68.6999 176.9875 76 R 3.9332 7.9949 119.2780 59.0793 30.1170 178.8616 77 A 4.0266 8.2192 120.4882 55.0246 18.3832 179.5555 78 A 3.9562 8.0588 119.3068 55.2659 18.3626 179.8537 79 L 3.9224 8.1060 117.6016 58.2301 41.5098 179.4200 80 M 4.0506 7.9623 116.8082 58.8846 32.2711 177.6649 81 M 4.3001 7.9920 116.9577 55.4999 32.3845 176.6920 82 G 3.8794 7.8691 107.0265 46.3078 0.0000 173.2769 83 I 4.6963 7.5713 111.2128 57.6598 40.9717 175.0814 84 N 4.6872 8.3400 119.0834 52.1805 39.6709 175.8823 85 R 3.9863 8.6131 120.8843 59.6345 30.0844 178.8032 86 G 3.5798 8.0088 104.7915 48.1969 0.0000 175.5430 87 T 3.8893 8.8513 119.0812 66.1730 68.4326 176.4044 88 L 3.9944 7.9126 122.0925 58.2718 42.1126 179.2599 89 R 3.9544 8.0740 118.2963 59.1026 29.9163 179.1975 90 K 4.0539 8.0769 118.5057 59.7211 32.2622 179.5631 91 K 3.9412 8.0306 119.6232 59.2386 31.9140 179.2859 92 L 4.1186 8.1561 119.4131 57.7303 41.4663 179.5549 93 K 3.8353 8.1748 119.6412 59.1832 31.9050 178.5168 94 K 3.6653 7.9135 119.3780 59.3540 32.0160 177.2893 95 Y 4.7512 7.4814 114.4605 56.6347 38.0583 175.9201 96 G 4.2241 8.1250 107.5490 47.1719 0.0000 174.7773 97 M 4.4223 8.7426 118.7491 54.8504 33.1000 176.4676 98 N 4.5420 8.0212 121.2080 53.0182 37.6707 174.8333 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 5 R 8.25 4.30 0.00 1.79 1.92 0.00 3.15 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 6 V 8.06 4.34 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 0.75 0.00 0.00 0.96 0.00 0.00 7 N 8.78 4.42 0.00 2.68 2.85 0.00 0.00 6.82 7.63 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 8 S 7.48 4.71 0.00 3.95 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 9 D 8.29 4.90 0.00 2.60 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 10 V 8.01 3.87 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 0.70 0.00 0.00 0.91 0.00 0.00 11 L 7.70 4.71 0.00 1.56 1.57 0.89 0.56 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 12 T 8.34 5.10 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 13 V 8.84 4.39 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 0.94 0.00 0.00 0.91 0.00 0.00 14 S 8.62 5.19 0.00 3.78 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 15 T 8.85 4.69 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 16 V 8.52 4.60 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 0.75 0.00 0.00 0.93 0.00 0.00 17 N 9.26 4.51 0.00 2.78 2.95 0.00 0.00 6.94 7.28 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 *21 Q 7.44 4.27 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 22 V 7.58 4.67 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 0.85 0.00 0.00 0.93 0.00 0.00 23 T 8.81 4.70 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 1.21 0.00 0.00 24 Q 8.69 5.05 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 25 K 8.75 4.72 0.00 1.78 1.85 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.37 7.81 26 P 0.00 4.57 0.00 2.08 2.03 0.00 3.84 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 2.11 2.10 0.00 27 L 8.91 3.95 0.00 1.73 1.65 0.89 0.67 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 28 R 8.04 3.95 0.00 2.07 2.18 0.00 3.02 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 29 D 8.10 4.32 0.00 2.87 2.75 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 30 S 7.99 4.11 0.00 4.01 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 31 V 7.67 3.50 2.21 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 1.10 0.00 0.00 0.96 0.00 0.00 32 K 8.18 3.85 0.00 1.98 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.65 7.81 33 Q 8.18 3.94 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 34 A 8.18 3.94 1.29 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 0.00 0.00 35 L 7.96 3.55 0.00 1.61 1.08 0.88 0.79 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 36 K 8.26 3.88 0.00 1.87 1.95 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 37 N 8.19 4.34 0.00 2.79 2.96 0.00 0.00 7.22 8.14 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 38 Y 7.84 4.25 0.00 2.90 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.46 4.63 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 40 A 7.71 4.61 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.25 4.43 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.87 6.39 0.00 0.00 0.00 0.00 0.00 2.21 2.03 0.00 *46 D 8.30 4.31 0.00 2.72 2.73 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 47 V 8.30 4.46 2.24 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 1.08 0.00 0.00 1.10 0.00 0.00 48 N 8.68 5.17 0.00 2.81 2.84 0.00 0.00 5.86 8.06 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 49 D 7.87 4.91 0.00 2.82 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 50 L 8.41 3.96 0.00 1.93 1.84 0.78 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.02 4.01 0.00 3.13 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 52 E 8.29 3.87 0.00 2.19 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 2.40 2.44 0.00 53 L 7.86 3.85 0.00 1.91 1.75 0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.75 3.44 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.84 0.00 0.00 55 L 8.09 3.70 0.00 1.11 1.57 0.85 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.16 4.39 1.47 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 0.00 0.00 57 E 7.83 3.91 0.00 2.00 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 2.26 2.35 0.00 58 V 7.15 3.97 1.98 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 0.99 0.00 0.00 0.86 0.00 0.00 59 E 8.40 3.91 0.00 2.02 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 2.35 2.45 0.00 60 Q 7.12 3.53 0.00 1.82 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.61 0.00 61 P 0.00 4.15 0.00 2.19 2.23 0.00 3.50 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.05 0.00 62 L 7.58 3.86 0.00 1.72 1.91 0.89 0.76 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 63 L 8.35 3.95 0.00 1.78 1.71 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.20 4.31 0.00 2.74 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 65 M 8.24 4.08 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.84 0.00 66 V 8.00 3.63 2.10 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 1.15 0.00 0.00 0.99 0.00 0.00 67 M 8.43 4.07 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.81 0.00 68 Q 8.22 3.91 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 69 Y 8.08 4.07 0.00 3.10 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 70 T 8.24 4.26 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 1.39 0.00 0.00 71 R 8.51 3.55 0.00 1.94 1.99 0.00 3.20 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 72 D 8.87 4.43 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 7.95 4.49 0.00 2.86 2.74 0.00 0.00 7.18 7.10 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 74 Q 8.71 4.06 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 75 T 7.79 3.90 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 1.22 0.00 0.00 76 R 7.99 3.93 0.00 2.00 2.01 0.00 3.13 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 77 A 8.22 4.03 1.42 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 0.00 0.00 78 A 8.06 3.96 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.11 3.92 0.00 1.86 1.75 0.97 0.69 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 80 M 7.96 4.05 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 81 M 7.99 4.30 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 82 G 7.87 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 83 I 7.57 4.70 1.89 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 1.37 0.78 0.93 0.00 0.00 84 N 8.34 4.69 0.00 3.02 2.99 0.00 0.00 5.57 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 85 R 8.61 3.99 0.00 1.87 1.99 0.00 3.35 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 86 G 8.01 3.58 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 0.00 0.00 0.00 87 T 8.85 3.89 4.40 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 1.23 0.00 0.00 88 L 7.91 3.99 0.00 1.80 1.85 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.07 3.95 0.00 2.10 1.97 0.00 3.18 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 90 K 8.08 4.05 0.00 1.99 2.05 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.46 7.81 91 K 8.03 3.94 0.00 2.08 2.04 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.68 7.81 92 L 8.16 4.12 0.00 1.87 1.76 0.95 0.71 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 93 K 8.17 3.84 0.00 1.89 1.90 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 94 K 7.91 3.67 0.00 1.57 1.51 0.00 1.55 0.00 0.00 1.03 0.00 0.00 2.66 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.31 1.10 7.81 95 Y 7.48 4.75 0.00 3.06 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 96 G 8.13 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 0.00 0.00 0.00 0.00 97 M 8.74 4.42 0.00 2.01 2.31 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 2.85 2.49 0.00 98 N 8.02 4.54 0.00 2.82 2.81 0.00 0.00 5.94 7.56 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 * Residues marked with a * may have inaccurate shift predictions.