NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6871 8.3644 120.3211 52.4109 42.0682 175.5059 5 V 4.1220 7.7910 114.3724 62.4892 35.3346 176.3349 6 L 4.1523 9.0411 120.7939 57.6314 42.3652 178.8671 7 K 3.9754 7.9376 117.1159 59.6143 31.9462 179.1103 8 N 4.3830 8.1368 116.0998 56.3578 38.4808 177.3592 9 I 3.7765 7.7645 120.5072 64.2668 37.1495 178.1969 10 A 4.0212 8.6259 121.8279 55.5227 18.2119 179.3354 11 D 4.3434 8.5211 117.6446 57.9921 40.9500 179.3736 12 T 3.9466 8.1676 116.2805 66.4072 68.1911 176.8588 13 L 4.1415 8.0145 120.3320 58.0924 42.1841 179.1037 14 E 4.0086 8.6048 118.5928 59.1207 29.0761 179.2191 15 A 4.0408 8.0172 120.4695 54.9998 18.5530 179.1433 16 R 4.4343 7.5143 111.4337 56.4072 29.9988 177.7901 17 R 3.4963 7.3920 120.5354 59.1458 30.8788 177.2775 18 E 4.6301 7.9079 114.2026 55.3748 30.0895 174.4794 19 A 4.5873 7.4693 121.9518 50.6188 22.1282 176.7015 20 A 4.2241 8.2965 118.3929 51.4986 19.0978 177.3440 21 P 4.2390 0.0000 0.0000 65.4298 31.4911 177.5374 22 Q 4.3323 7.8574 114.3179 56.3316 29.5282 176.4996 23 S 4.2240 7.8913 113.3392 60.8777 62.6164 173.6411 24 S 4.6199 7.4935 111.2568 56.2843 65.5989 173.7156 25 Y 4.1588 8.7986 120.9577 60.9354 38.5308 177.5119 26 V 3.1518 7.9797 118.4557 65.8704 31.5012 177.6911 27 A 4.2032 7.9566 120.3171 55.0836 18.3339 179.5646 28 S 4.1852 7.8692 112.4232 61.4795 62.9814 176.6219 29 L 3.7608 7.6305 122.4688 57.6594 41.1437 179.2785 30 F 4.5200 7.4362 116.2493 61.2932 38.9607 177.1037 31 H 4.4460 8.2273 116.7737 59.1592 29.7437 177.2024 32 K 4.1204 7.9607 119.8229 59.1596 32.2183 175.7708 33 G 3.7470 8.1842 103.6706 43.6326 0.0000 174.0982 34 E 3.1463 8.8226 118.4932 59.2539 29.2522 178.2323 35 D 4.2833 8.0321 117.8933 57.5873 40.7734 178.6636 36 A 3.9322 7.9204 120.3743 55.2294 18.2675 179.6563 37 I 3.7008 7.2865 118.3652 64.4575 37.2077 178.6378 38 L 4.0250 8.1232 120.0781 57.3785 41.2562 179.7335 39 K 3.9215 8.2146 118.9028 59.3827 31.9573 179.2076 40 K 3.8718 7.6099 118.4268 59.3328 32.0679 178.8956 41 V 3.5733 7.7940 118.3184 66.0376 31.4823 177.8455 42 A 3.9901 8.1076 120.4595 55.0075 18.1494 179.0179 43 E 3.8597 8.4631 118.1024 59.7961 29.7656 179.1195 44 E 3.9730 8.5320 118.3412 59.1189 29.4913 179.3556 45 A 4.0094 8.0466 120.9922 55.0110 18.2295 179.5501 46 A 3.9498 7.9271 118.3435 55.3362 18.5652 179.2562 47 E 4.0275 8.2138 116.8240 59.5586 29.9524 178.8669 48 T 4.0619 7.8501 116.1247 66.3255 68.4427 176.7386 49 L 4.0136 7.5192 116.1671 55.7152 41.0818 178.6246 *51 A 4.2997 7.8901 124.3027 52.3550 20.8032 179.7941 52 S 4.0937 8.1844 110.3270 61.2880 62.6948 176.2854 53 K 3.9654 8.0718 120.4084 59.5365 31.9259 177.1360 54 D 4.5213 8.0842 115.1170 54.0546 40.9084 176.2402 55 K 3.8589 7.7525 116.7593 57.3354 30.6763 176.8943 56 D 4.6493 7.5096 120.3746 52.8672 37.9077 176.2497 57 K 3.8157 8.1762 123.4140 59.2784 32.3061 178.2506 58 L 4.0235 7.8165 118.6669 57.8185 41.6478 178.6587 59 H 4.2660 8.2472 118.4745 58.7680 29.7499 176.8846 60 L 3.8407 8.0941 122.5289 58.3612 41.9157 179.2193 61 V 3.5208 7.4199 117.8018 66.0599 31.4035 178.1950 62 R 3.8804 7.7395 117.6870 59.0997 29.8751 179.0039 63 E 3.8755 8.2930 118.5498 59.4417 29.5099 179.2894 64 V 3.6409 8.1140 118.4358 66.0620 31.3712 177.9673 65 A 3.7073 7.8418 120.4567 55.0324 18.1682 179.1290 66 D 4.4965 8.0793 116.6616 57.2327 41.1423 178.1783 67 L 4.0726 8.6370 121.4015 58.0029 42.0045 178.6965 68 W 4.4063 8.5064 118.0751 59.9383 29.1711 177.8706 69 F 4.3620 8.6631 119.4839 62.0005 39.1405 176.8310 70 H 4.2064 8.7299 115.3671 58.4782 28.2866 177.9576 71 T 4.2104 7.9464 115.9687 64.2153 68.0144 176.2117 *73 V 3.8650 7.7555 123.2294 62.8730 33.6597 177.3099 74 L 3.9329 8.0528 121.0059 58.1720 41.8716 178.6741 75 L 4.0610 8.1734 119.2335 58.5184 41.7346 179.8405 76 T 4.0430 8.0156 114.8118 66.8336 68.1753 175.9035 77 Y 4.0368 8.0542 120.7502 60.2129 38.7844 176.5961 78 H 4.8571 7.8463 114.9695 54.8088 29.2676 175.2069 79 G 3.8710 7.6215 107.2105 46.4863 0.0000 173.7841 80 L 4.8801 7.7865 120.6215 53.0880 44.7479 175.5672 81 R 4.5845 8.8850 113.0673 54.3056 32.3868 174.5039 82 P 4.0999 0.0000 0.0000 65.9175 31.1800 178.2307 83 E 3.9240 8.2666 115.4186 59.7120 29.3496 178.8288 84 D 4.4993 8.0479 118.0135 57.5120 41.1842 178.8241 85 V 3.7255 7.5573 118.0741 65.7531 31.4732 178.3703 86 V 3.8201 7.7929 114.6266 63.8474 30.4918 176.9090 *88 E 4.2025 8.1423 120.1074 55.7308 31.1761 177.8566 89 L 4.0221 8.0392 118.8834 57.9349 41.9969 178.8646 90 H 4.2915 8.4588 117.7998 59.1323 29.9417 176.2745 91 R 3.9356 8.0427 118.0089 59.1777 30.1705 176.8616 92 R 3.8378 7.3367 115.6101 57.9935 29.5785 176.6892 93 E 3.9609 6.4060 124.4079 58.7118 30.2300 177.6283 94 G 4.0462 8.8006 112.3388 45.6620 0.0000 172.4497 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 4 D 8.36 4.69 0.00 2.83 2.70 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 0.00 0.00 0.00 0.00 5 V 7.79 4.12 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 1.05 0.00 0.00 0.97 0.00 0.00 6 L 9.04 4.15 0.00 1.79 1.78 1.03 1.18 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 7 K 7.94 3.98 0.00 1.93 1.89 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.77 7.81 8 N 8.14 4.38 0.00 2.90 2.90 0.00 0.00 7.12 7.33 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 9 I 7.76 3.78 2.15 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.02 1.18 0.00 0.00 10 A 8.63 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.52 4.34 0.00 2.86 2.76 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 12 T 8.17 3.95 4.49 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 1.29 0.00 0.00 13 L 8.01 4.14 0.00 1.88 1.93 0.83 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.60 4.01 0.00 2.12 1.96 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 2.29 2.54 0.00 15 A 8.02 4.04 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 16 R 7.51 4.43 0.00 2.11 2.09 0.00 3.23 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.82 0.00 17 R 7.39 3.50 0.00 1.68 1.95 0.00 2.21 0.00 0.00 2.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 18 E 7.91 4.63 0.00 1.89 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 2.12 2.12 0.00 19 A 7.47 4.59 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 20 A 8.30 4.22 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 21 P 0.00 4.24 0.00 1.98 2.00 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.89 0.00 22 Q 7.86 4.33 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 23 S 7.89 4.22 0.00 3.82 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 24 S 7.49 4.62 0.00 3.91 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.80 4.16 0.00 3.08 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 26 V 7.98 3.15 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 0.87 0.00 0.00 1.19 0.00 0.00 27 A 7.96 4.20 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.87 4.19 0.00 4.12 4.29 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 29 L 7.63 3.76 0.00 1.35 1.27 0.49 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.44 4.52 0.00 3.25 3.08 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 0.00 0.00 0.00 31 H 8.23 4.45 0.00 3.30 3.54 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.96 4.12 0.00 1.90 1.83 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.65 7.81 33 G 8.18 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 34 E 8.82 3.15 0.00 1.79 1.86 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 2.26 2.24 0.00 35 D 8.03 4.28 0.00 2.76 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 36 A 7.92 3.93 1.25 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 37 I 7.29 3.70 1.80 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 1.26 0.45 0.80 0.00 0.00 38 L 8.12 4.02 0.00 1.77 1.69 0.90 1.18 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 39 K 8.21 3.92 0.00 1.92 1.84 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.60 7.81 40 K 7.61 3.87 0.00 1.86 1.75 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.10 1.23 7.81 41 V 7.79 3.57 2.22 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 0.98 0.00 0.00 0.96 0.00 0.00 42 A 8.11 3.99 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 43 E 8.46 3.86 0.00 2.14 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 0.00 2.31 2.36 0.00 44 E 8.53 3.97 0.00 2.06 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 2.59 2.56 0.00 45 A 8.05 4.01 1.43 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 0.00 0.00 46 A 7.93 3.95 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 47 E 8.21 4.03 0.00 2.10 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 2.35 2.38 0.00 48 T 7.85 4.06 4.47 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 1.23 0.00 0.00 49 L 7.52 4.01 0.00 1.92 1.68 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 *51 A 7.89 4.30 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 52 S 8.18 4.09 0.00 3.88 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 53 K 8.07 3.97 0.00 1.94 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 54 D 8.08 4.52 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 3.86 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.40 7.81 56 D 7.51 4.65 0.00 2.69 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 57 K 8.18 3.82 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.73 7.81 58 L 7.82 4.02 0.00 1.72 1.70 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.25 4.27 0.00 3.40 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.09 3.84 0.00 1.77 1.82 0.90 0.84 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 61 V 7.42 3.52 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 0.87 0.00 0.00 0.90 0.00 0.00 62 R 7.74 3.88 0.00 1.96 1.93 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.91 0.00 63 E 8.29 3.88 0.00 1.99 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 2.20 2.21 0.00 64 V 8.11 3.64 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 0.67 0.00 0.00 0.94 0.00 0.00 65 A 7.84 3.71 1.28 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 66 D 8.08 4.50 0.00 3.04 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 67 L 8.64 4.07 0.00 1.94 2.06 1.02 1.19 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 68 W 8.51 4.41 0.00 3.41 3.37 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 69 F 8.66 4.36 0.00 3.11 3.37 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 70 H 8.73 4.21 0.00 3.36 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.95 4.21 4.51 0.00 0.00 0.00 0.00 0.00 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 *73 V 7.76 3.86 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 0.41 0.00 0.00 0.24 0.00 0.00 74 L 8.05 3.93 0.00 1.90 1.92 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.17 4.06 0.00 1.72 1.74 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.02 4.04 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 1.15 0.00 0.00 77 Y 8.05 4.04 0.00 3.33 3.23 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 78 H 7.85 4.86 0.00 3.37 3.29 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.62 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 0.00 0.00 0.00 80 L 7.79 4.88 0.00 1.71 1.76 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.89 4.58 0.00 1.96 1.97 0.00 3.02 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 82 P 0.00 4.10 0.00 2.19 2.14 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 83 E 8.27 3.92 0.00 1.91 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 2.33 2.49 0.00 84 D 8.05 4.50 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.56 3.73 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 0.93 0.00 0.00 0.86 0.00 0.00 86 V 7.79 3.82 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 0.92 0.00 0.00 *88 E 8.14 4.20 0.00 2.16 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 0.00 2.24 2.37 0.00 89 L 8.04 4.02 0.00 2.01 1.68 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.46 4.29 0.00 3.06 3.30 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.04 3.94 0.00 1.77 2.06 0.00 3.26 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 92 R 7.34 3.84 0.00 2.04 1.74 0.00 3.20 0.00 0.00 3.21 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 93 E 6.41 3.96 0.00 2.00 1.94 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 2.36 2.31 0.00 94 G 8.80 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 * Residues marked with a * may have inaccurate shift predictions.