NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3137 0.0000 0.0000 62.8114 33.6582 174.2888 3 R 4.6283 7.8146 118.0322 54.2618 32.2173 174.0669 4 Y 5.0579 8.7629 120.1007 56.0741 43.1542 173.8199 5 Q 5.0328 9.0593 122.2421 54.4206 32.0442 173.8059 6 A 5.2711 9.5432 128.7276 50.6249 22.1225 175.4070 7 T 4.8583 9.1354 119.2515 62.0793 70.6888 173.3222 8 L 5.3265 8.7410 127.0977 52.8259 44.8682 175.6807 9 L 5.1139 9.0019 123.3419 53.1113 44.5161 175.4429 10 I 4.7643 9.2429 125.8577 59.9543 39.0113 174.6699 11 E 5.0218 8.8009 126.4432 54.0577 33.4198 175.4928 12 L 4.6159 8.3351 121.3167 54.1426 42.7305 177.6311 13 K 4.1563 8.6287 122.5096 55.6300 32.8747 176.3915 14 K 4.0346 8.3265 122.2385 58.2315 32.4811 176.7683 15 G 4.0827 8.8936 113.6024 45.5274 0.0000 173.8497 16 I 3.9626 7.1960 120.5133 60.5092 37.6460 176.0506 17 L 4.1582 8.4046 125.2816 55.1695 42.4188 176.9197 18 D 4.8357 8.2103 120.5565 50.6262 41.3677 173.7861 19 P 4.2385 0.0000 0.0000 65.7632 31.4827 178.6351 20 Q 4.1016 8.1516 117.3780 58.6438 28.7162 178.7096 21 G 3.8008 8.7997 108.5257 47.4662 0.0000 175.9094 22 R 3.9510 8.2724 120.7644 58.9113 30.0208 179.1044 23 A 3.9947 7.9273 120.1309 55.0822 18.3724 179.8016 24 V 3.5572 7.7604 116.7309 66.0316 31.5019 177.9398 25 E 4.0562 8.3926 118.5497 59.4810 29.3046 179.5612 26 G 3.6459 7.7490 105.6189 47.7595 0.0000 175.7682 27 V 3.5902 7.5514 119.5652 65.7900 31.8677 177.8374 28 L 4.1433 8.2716 119.0280 57.7942 40.9433 179.6375 29 K 3.9921 8.5108 118.8614 59.6169 31.7619 179.0224 30 D 4.5555 8.2895 117.9673 56.0346 40.5070 177.3934 31 L 4.7547 7.9878 119.8210 54.1316 42.6407 177.3060 32 G 4.3514 7.5183 103.6983 46.7000 0.0000 174.8275 33 H 4.6027 7.4246 117.6645 52.3972 28.3109 171.6275 34 P 4.3226 0.0000 0.0000 62.8279 31.7653 176.6798 35 V 4.5104 8.0076 115.2452 59.5969 35.4431 175.2516 36 E 4.1334 8.9361 124.7657 58.7440 29.9730 176.1658 37 E 4.8601 7.4975 115.2592 55.2021 32.4715 174.2532 38 V 4.2823 8.8518 123.2035 61.2859 33.8940 174.3861 39 R 4.8939 8.6285 126.5112 54.3806 31.6993 175.5497 40 V 4.1238 9.1139 124.2210 61.4939 32.4398 174.8979 41 G 4.3841 8.3754 113.7255 44.5985 0.0000 171.0310 42 K 4.9537 9.0882 118.7365 54.4106 34.9292 176.1781 43 V 4.8871 8.3686 122.7619 59.8662 34.0588 174.6446 44 L 4.7079 9.0468 124.8440 52.9115 44.6142 175.3663 45 E 4.9223 8.9436 124.2728 55.3975 30.4377 175.5445 46 I 4.5261 8.8364 126.9258 59.4183 39.7909 174.9806 47 V 5.0253 8.5056 127.4834 61.2979 32.9367 174.6307 48 F 5.1233 8.8148 121.9788 55.2678 41.5065 171.5772 49 P 5.2070 0.0000 0.0000 62.5476 32.8571 174.7840 50 A 4.7189 8.3834 120.2893 51.2682 21.9247 176.6766 51 E 4.0861 10.0238 121.7909 59.3351 29.8370 177.3156 52 N 5.0750 7.6113 115.5462 51.2468 41.2748 174.6236 53 L 3.5504 8.5499 120.8667 58.2995 42.0448 178.6939 54 L 3.9320 7.8649 118.4089 57.7764 41.6076 178.9231 55 E 3.9740 8.8832 119.3800 58.7190 29.4554 178.5078 56 A 4.0212 7.8690 121.3295 55.2281 18.3069 179.1816 57 E 3.8630 8.2024 117.8180 59.3308 29.6755 178.6604 58 E 3.9038 8.0036 119.0369 59.3403 29.5389 179.0312 59 K 3.8992 8.2999 117.4977 59.0359 32.0964 179.0185 60 A 3.8648 7.9729 120.6146 55.2170 18.7050 179.5601 61 K 4.0619 8.2059 116.6931 59.2707 31.5741 179.8528 62 A 3.8177 7.7698 117.7015 52.8813 17.9531 179.2437 *64 G 3.1302 8.0902 111.3158 46.6370 0.0000 175.9822 65 A 3.9307 7.0277 121.9372 54.6835 18.5011 178.8377 66 L 4.1194 7.2329 114.6024 57.3210 41.8786 178.4385 67 L 4.1129 7.3574 117.4371 56.3416 42.0136 177.0858 68 A 4.5438 7.7089 121.1797 50.9265 19.5855 176.1509 69 N 4.5504 9.0435 122.3900 52.4863 39.7090 172.9263 70 P 4.3806 0.0000 0.0000 66.0265 31.4349 177.6875 71 V 3.6626 7.6181 112.6849 64.1797 31.2157 174.5248 *73 E 4.4878 7.7317 117.1813 57.0460 30.9506 174.8477 74 V 4.7488 8.5160 112.4070 60.0143 36.2537 174.5196 75 Y 5.4855 8.2967 119.5445 55.4582 41.0870 174.7187 76 A 4.5343 8.8351 121.3311 50.5792 23.0734 175.5115 77 L 4.4500 8.7031 124.9245 53.8430 40.7108 175.5429 78 E 4.2448 9.0582 126.7318 58.7837 30.4934 176.2271 79 A 4.6915 7.8593 118.2748 51.0855 22.9174 175.6464 80 L 4.9952 8.3107 122.1184 54.2398 44.4133 174.6587 81 K 4.8378 8.9803 125.7947 54.8740 36.3692 174.9204 82 E 4.2617 8.7663 122.9307 55.7331 30.4456 175.7999 83 L 4.2559 8.5637 127.9842 53.3432 42.7255 175.4274 84 P 4.3276 0.0000 0.0000 62.8750 31.2669 176.2515 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 P 0.00 4.31 0.00 1.55 2.09 0.00 3.99 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 2.15 2.03 0.00 3 R 7.81 4.63 0.00 1.65 1.69 0.00 3.01 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 4 Y 8.76 5.06 0.00 1.90 2.50 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 5 Q 9.06 5.03 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 6 A 9.54 5.27 1.46 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 0.00 0.00 0.00 7 T 9.14 4.86 4.37 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 1.24 0.00 0.00 8 L 8.74 5.33 0.00 1.60 1.58 0.84 0.32 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 9 L 9.00 5.11 0.00 1.59 1.58 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 10 I 9.24 4.76 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.92 1.01 0.00 0.00 11 E 8.80 5.02 0.00 1.91 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 2.22 2.26 0.00 12 L 8.34 4.62 0.00 1.53 1.60 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.63 4.16 0.00 1.81 1.72 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.43 7.81 14 K 8.33 4.03 0.00 1.68 1.72 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.51 7.81 15 G 8.89 4.08 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 0.00 0.00 0.00 16 I 7.20 3.96 1.99 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 1.41 0.85 0.91 0.00 0.00 17 L 8.40 4.16 0.00 1.63 1.60 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.21 4.84 0.00 2.69 2.49 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 19 P 0.00 4.24 0.00 2.30 2.31 0.00 3.85 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 2.08 2.07 0.00 20 Q 8.15 4.10 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 21 G 8.80 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 0.00 0.00 0.00 22 R 8.27 3.95 0.00 1.97 2.01 0.00 3.29 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 23 A 7.93 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 24 V 7.76 3.56 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 1.10 0.00 0.00 0.96 0.00 0.00 25 E 8.39 4.06 0.00 2.30 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 2.45 0.00 26 G 7.75 3.65 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 0.00 0.00 0.00 27 V 7.55 3.59 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 0.86 0.00 0.00 1.00 0.00 0.00 28 L 8.27 4.14 0.00 1.84 1.87 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.51 3.99 0.00 1.96 1.87 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.59 7.81 30 D 8.29 4.56 0.00 2.82 2.74 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 31 L 7.99 4.75 0.00 1.83 1.67 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.52 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 0.00 0.00 0.00 0.00 33 H 7.42 4.60 0.00 3.18 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.32 0.00 2.03 2.01 0.00 3.58 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 2.01 2.11 0.00 35 V 8.01 4.51 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 0.94 0.00 0.00 36 E 8.94 4.13 0.00 1.93 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 2.28 2.29 0.00 37 E 7.50 4.86 0.00 1.92 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 2.20 2.28 0.00 38 V 8.85 4.28 2.25 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 0.95 0.00 0.00 0.94 0.00 0.00 39 R 8.63 4.89 0.00 1.81 1.83 0.00 3.56 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 40 V 9.11 4.12 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 0.76 0.00 0.00 0.93 0.00 0.00 41 G 8.38 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.09 4.95 0.00 1.66 1.70 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.36 7.81 43 V 8.37 4.89 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 0.76 0.00 0.00 0.95 0.00 0.00 44 L 9.05 4.71 0.00 1.60 1.59 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.94 4.92 0.00 1.87 1.95 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 2.28 2.29 0.00 46 I 8.84 4.53 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.66 0.96 0.00 0.00 47 V 8.51 5.03 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 0.96 0.00 0.00 48 F 8.81 5.12 0.00 3.23 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 49 P 0.00 5.21 0.00 2.15 2.10 0.00 4.02 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 50 A 8.38 4.72 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 51 E 10.02 4.09 0.00 2.04 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 0.00 2.50 2.43 0.00 52 N 7.61 5.08 0.00 2.99 2.95 0.00 0.00 6.36 6.67 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 53 L 8.55 3.55 0.00 1.83 1.71 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.86 3.93 0.00 1.91 1.69 0.92 0.85 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 55 E 8.88 3.97 0.00 2.02 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 2.33 2.33 0.00 56 A 7.87 4.02 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.86 0.00 2.10 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 0.00 2.32 2.33 0.00 58 E 8.00 3.90 0.00 2.31 2.03 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 2.30 2.38 0.00 59 K 8.30 3.90 0.00 1.69 1.56 0.00 1.99 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.58 7.81 60 A 7.97 3.86 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 61 K 8.21 4.06 0.00 1.84 2.01 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.65 1.65 7.81 62 A 7.77 3.82 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 *64 G 8.09 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 0.00 0.00 0.00 65 A 7.03 3.93 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 66 L 7.23 4.12 0.00 1.56 1.67 0.84 0.92 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 67 L 7.36 4.11 0.00 1.68 1.69 0.84 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.71 4.54 1.36 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 69 N 9.04 4.55 0.00 2.68 2.75 0.00 0.00 7.22 7.54 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 70 P 0.00 4.38 0.00 2.08 2.13 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 71 V 7.62 3.66 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 0.80 0.00 0.00 0.93 0.00 0.00 *73 E 7.73 4.49 0.00 1.95 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 0.00 2.23 2.37 0.00 74 V 8.52 4.75 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 0.71 0.00 0.00 0.90 0.00 0.00 75 Y 8.30 5.49 0.00 2.88 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 76 A 8.84 4.53 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 77 L 8.70 4.45 0.00 1.77 1.70 1.09 0.99 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 78 E 9.06 4.24 0.00 2.05 2.19 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 2.35 2.34 0.00 79 A 7.86 4.69 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 80 L 8.31 5.00 0.00 1.66 1.58 1.05 0.50 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 81 K 8.98 4.84 0.00 1.86 1.87 0.00 1.36 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.36 7.81 82 E 8.77 4.26 0.00 2.03 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 1.92 1.47 0.00 83 L 8.56 4.26 0.00 1.44 1.49 0.85 1.01 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 84 P 0.00 4.33 0.00 2.00 1.93 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 * Residues marked with a * may have inaccurate shift predictions.