NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5294 8.3193 116.7947 58.7762 64.3683 173.2712 1 T 4.3241 7.9756 113.5102 60.2809 71.8056 175.1998 2 K 3.9541 8.4927 125.5527 59.5696 32.0239 179.0579 3 L 4.1836 7.8273 120.6937 58.0851 42.0113 178.5555 4 E 3.9587 8.5385 118.9500 59.6782 29.4117 179.2820 5 E 3.9571 8.4655 118.6232 59.6929 29.4932 178.9339 6 H 4.2572 7.9800 115.7864 59.1264 28.8398 177.6412 7 L 4.0623 8.2912 120.7438 57.9341 41.5285 179.1192 8 E 4.0694 8.5506 119.4820 59.3036 29.4077 179.1420 9 G 3.6754 8.3199 105.6555 47.9286 0.0000 175.6705 10 I 3.8640 8.0418 122.7990 64.0002 37.1161 178.4203 11 V 3.9959 8.4059 119.4727 66.5091 31.3259 177.3580 12 N 4.3733 8.8164 116.7859 57.1027 38.4346 176.8133 13 I 3.9469 7.9595 120.5692 64.1049 37.5079 177.7663 14 F 4.1545 8.7258 122.0703 61.7428 39.2396 177.0139 15 H 4.6433 8.5722 117.4998 58.3471 28.2663 177.4857 16 Q 3.9594 8.3089 119.5519 59.3860 28.3852 178.6543 17 Y 4.0950 8.0903 116.7553 59.4200 38.4033 177.7129 18 S 3.8609 7.6417 114.8860 60.4233 62.0855 176.7813 19 V 3.7518 7.5406 115.3814 63.7603 31.1292 178.1662 20 R 4.0064 7.1927 119.7391 59.6857 30.0257 176.8030 21 K 4.5428 7.5576 114.0990 53.6969 36.9146 180.3091 22 G 3.7559 8.2978 109.1707 49.4911 0.0000 175.9039 *23 H 4.7457 8.4706 120.1958 53.1957 28.7533 175.1129 24 F 4.4876 8.9317 115.8390 58.9034 38.0903 175.7937 25 D 4.6191 7.3517 118.9408 52.6330 39.5986 174.5869 26 T 5.1172 7.4128 108.1981 60.7169 72.5501 172.4394 27 L 4.9285 8.7008 120.8016 53.7543 44.5263 175.8322 28 S 4.6523 8.9919 117.4862 58.9432 63.9154 175.8439 29 K 3.9416 8.9474 128.1356 60.3977 30.9798 179.0511 30 G 4.1502 7.5544 105.5963 48.0209 0.0000 175.1908 31 E 4.3303 8.8699 122.5659 58.8343 29.2160 179.7390 32 L 3.9717 7.8292 124.9511 59.8631 41.1008 183.9176 33 K 3.6690 8.4333 127.6453 60.5405 31.5543 181.0835 34 Q 4.1857 7.6337 120.0586 60.1873 28.0483 180.7908 35 L 3.5144 8.3576 122.9429 57.7709 42.0060 178.8172 36 L 3.9810 9.0214 119.2238 58.2622 41.5031 179.4677 37 T 4.0825 8.3061 114.0549 66.1778 67.4760 176.4116 38 K 4.2050 8.0923 125.3866 59.7757 31.7055 180.5900 39 E 4.3664 8.3442 119.6277 57.6456 30.1754 177.3148 40 L 4.7812 8.4543 120.0106 53.2717 42.5738 178.1250 41 A 4.0788 8.0946 122.3904 55.7307 18.4243 179.0737 42 N 4.2433 8.0458 112.8085 56.7324 38.8709 177.3572 43 T 3.8323 7.9436 116.2353 67.0203 68.4972 176.1111 44 I 3.6483 7.9984 123.7742 65.0385 36.9288 178.8852 45 K 3.8610 7.7489 123.0785 60.1938 31.6386 180.3530 46 N 4.6825 8.1625 115.8251 53.8970 38.6277 175.4126 47 I 3.8669 7.4006 125.3260 61.4334 37.6365 176.9922 48 K 4.0069 8.7215 129.1607 56.6134 31.9881 173.8330 49 D 4.7362 7.8764 118.7679 52.5148 40.0486 182.4539 50 K 3.8581 8.6719 130.3477 59.2487 31.5460 175.7038 51 A 4.3474 7.7829 119.3833 54.1644 18.6694 178.7307 52 V 3.4490 7.3534 117.2487 66.0407 31.3183 177.6716 53 I 3.5199 7.6126 120.8597 65.1521 37.0158 178.2204 54 D 4.6198 7.8869 121.6425 57.8459 39.8368 180.3534 55 E 4.4886 8.6892 119.0623 61.0806 29.8321 184.5251 56 I 3.9876 7.1328 118.2255 64.2580 37.5654 177.9570 57 F 4.3632 9.2023 121.6835 61.1771 38.7724 178.7796 58 Q 4.1469 9.2059 121.9800 60.2212 27.9147 182.8588 59 G 3.9985 8.0375 105.1768 46.2405 0.0000 175.1644 60 L 4.2868 7.4617 123.6291 58.1146 42.1974 178.5258 61 D 4.4164 7.7548 117.3486 56.4227 39.8069 181.2802 62 A 4.4040 8.0393 121.2507 52.6556 17.6526 177.7558 63 N 4.5952 8.2168 113.1316 52.8849 40.4500 179.5242 64 Q 4.3054 8.0943 116.1568 58.4890 28.6356 176.8683 65 D 4.8875 8.1442 118.5549 55.1522 43.4370 176.8878 66 E 4.2515 8.0624 118.2568 56.1063 30.7323 176.5884 67 Q 4.7239 8.6352 122.5408 56.0285 29.9596 175.8238 68 V 4.6727 9.1096 115.4753 59.8101 36.1556 175.1612 69 D 5.1565 8.3844 123.0287 51.9801 42.3616 176.3452 70 F 2.8079 8.9492 118.8468 61.4352 39.0013 176.9269 71 Q 4.0509 9.7922 119.8041 59.3478 28.9742 177.9297 72 E 3.9949 8.1457 120.0275 58.5494 29.5171 178.5903 73 F 4.0733 7.7228 120.6712 61.3477 39.6490 177.1788 74 I 2.9654 7.5888 119.3162 63.4460 36.4782 178.4216 75 S 3.9471 7.5570 113.8762 61.3714 62.6160 175.7167 76 L 4.0448 8.0981 122.0197 57.6457 41.3069 179.6995 77 V 3.3440 8.0939 118.3962 65.9803 31.4017 178.0227 78 A 3.9097 7.7991 120.1860 54.9497 18.1916 179.6325 79 I 3.5240 7.5166 118.5507 64.5003 37.1310 178.2332 80 A 3.8732 7.8577 120.9840 55.1772 18.2027 179.1776 81 L 3.7023 7.8771 119.1620 57.9582 42.0658 179.4501 82 K 2.8196 7.7586 118.5419 59.5061 32.4114 178.8036 83 A 3.8120 7.2747 120.5394 54.5470 18.5800 178.2712 84 A 4.0878 7.6068 118.2494 56.0854 20.7738 178.0875 85 H 3.9231 8.3746 115.2253 59.2609 26.1148 175.1696 86 Y 3.4410 7.1196 116.3482 58.7493 36.8625 170.7774 87 H 4.4601 8.2127 118.7813 56.0254 29.0981 175.2839 88 T 4.6514 8.7125 117.0634 64.2128 69.6488 175.1465 *89 H 4.2457 8.3288 121.9899 54.5843 27.8178 176.3173 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 0 S 8.32 4.53 0.00 3.88 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 1 T 7.98 4.32 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 1.21 0.00 0.00 2 K 8.49 3.95 0.00 1.79 1.86 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.06 7.81 3 L 7.83 4.18 0.00 1.75 1.69 0.96 1.00 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 4 E 8.54 3.96 0.00 2.26 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 2.33 2.36 0.00 5 E 8.47 3.96 0.00 2.05 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 2.33 2.34 0.00 6 H 7.98 4.26 0.00 3.43 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.29 4.06 0.00 1.82 1.74 0.94 0.84 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 8 E 8.55 4.07 0.00 2.17 2.18 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 2.35 2.37 0.00 9 G 8.32 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 0.00 0.00 0.00 10 I 8.04 3.86 2.25 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 1.52 0.88 1.18 0.00 0.00 11 V 8.41 4.00 2.31 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 0.97 0.00 0.00 0.61 0.00 0.00 12 N 8.82 4.37 0.00 2.89 3.05 0.00 0.00 7.33 7.93 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 13 I 7.96 3.95 2.27 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.76 1.04 0.00 0.00 14 F 8.73 4.15 0.00 2.82 3.40 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 15 H 8.57 4.64 0.00 3.42 3.32 0.00 5.74 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 16 Q 8.31 3.96 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 17 Y 8.09 4.09 0.00 3.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 3.86 0.00 3.96 3.30 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 19 V 7.54 3.75 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 1.03 0.00 0.00 0.95 0.00 0.00 20 R 7.19 4.01 0.00 1.57 1.95 0.00 2.92 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 21 K 7.56 4.54 0.00 1.69 1.54 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.26 7.81 22 G 8.30 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 *23 H 8.47 4.75 0.00 2.85 2.95 0.00 7.19 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.93 4.49 0.00 3.13 3.18 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 25 D 7.35 4.62 0.00 2.52 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 0.00 0.00 0.00 26 T 7.41 5.12 4.50 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 1.23 0.00 0.00 27 L 8.70 4.93 0.00 1.68 1.64 0.93 0.93 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 28 S 8.99 4.65 0.00 4.12 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 29 K 8.95 3.94 0.00 1.80 1.89 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.36 7.81 30 G 7.55 4.15 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 0.00 31 E 8.87 4.33 0.00 2.16 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 2.34 2.32 0.00 32 L 7.83 3.97 0.00 1.65 1.67 0.92 0.88 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 33 K 8.43 3.67 0.00 1.70 1.87 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.36 7.81 34 Q 7.63 4.19 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 35 L 8.36 3.51 0.00 1.30 1.63 0.45 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 36 L 9.02 3.98 0.00 1.93 1.91 1.06 0.65 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 37 T 8.31 4.08 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 38 K 8.09 4.21 0.00 1.84 1.76 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 39 E 8.34 4.37 0.00 1.96 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 0.00 2.53 2.37 0.00 40 L 8.45 4.78 0.00 1.61 1.57 0.88 0.56 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 41 A 8.09 4.08 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 42 N 8.05 4.24 0.00 2.77 3.02 0.00 0.00 6.92 7.05 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 43 T 7.94 3.83 4.21 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 1.13 0.00 0.00 44 I 8.00 3.65 2.13 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.77 0.81 0.00 0.00 45 K 7.75 3.86 0.00 1.86 1.75 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.38 7.81 46 N 8.16 4.68 0.00 2.85 2.95 0.00 0.00 7.18 7.00 0.00 0.00 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 I 7.40 3.87 1.85 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 1.03 0.66 0.87 0.00 0.00 48 K 8.72 4.01 0.00 1.77 1.72 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.00 7.81 49 D 7.88 4.74 0.00 2.59 2.61 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 50 K 8.67 3.86 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.09 7.81 51 A 7.78 4.35 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 52 V 7.35 3.45 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 0.97 0.00 0.00 0.87 0.00 0.00 53 I 7.61 3.52 1.55 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.55 -0.16 0.00 0.00 54 D 7.89 4.62 0.00 2.80 2.57 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 0.00 0.00 0.00 0.00 55 E 8.69 4.49 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 56 I 7.13 3.99 2.06 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.60 1.06 0.00 0.00 57 F 9.20 4.36 0.00 3.19 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 58 Q 9.21 4.15 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 59 G 8.04 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 60 L 7.46 4.29 0.00 1.63 1.63 0.84 0.97 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 61 D 7.75 4.42 0.00 2.55 2.67 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 0.00 0.00 0.00 0.00 62 A 8.04 4.40 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 63 N 8.22 4.60 0.00 2.58 2.71 0.00 0.00 6.81 7.38 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 64 Q 8.09 4.31 0.00 2.20 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.02 6.65 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 65 D 8.14 4.89 0.00 2.51 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 66 E 8.06 4.25 0.00 2.03 1.87 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 2.40 1.91 0.00 67 Q 8.64 4.72 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 68 V 9.11 4.67 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 0.81 0.00 0.00 1.02 0.00 0.00 69 D 8.38 5.16 0.00 2.84 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.95 2.81 0.00 2.90 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 71 Q 9.79 4.05 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 72 E 8.15 3.99 0.00 2.04 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 2.31 2.30 0.00 73 F 7.72 4.07 0.00 2.92 2.54 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 0.00 0.00 0.00 0.00 74 I 7.59 2.97 1.65 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.91 0.84 0.00 0.00 75 S 7.56 3.95 0.00 3.82 3.94 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 0.00 0.00 0.00 76 L 8.10 4.04 0.00 1.60 1.66 0.96 0.83 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 77 V 8.09 3.34 1.56 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 0.85 0.00 0.00 0.38 0.00 0.00 78 A 7.80 3.91 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 79 I 7.52 3.52 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.12 0.85 0.00 0.00 80 A 7.86 3.87 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.88 3.70 0.00 1.86 1.49 1.08 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.76 2.82 0.00 1.85 1.75 0.00 1.43 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.36 7.81 83 A 7.27 3.81 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 84 A 7.61 4.09 1.17 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 0.00 0.00 85 H 8.37 3.92 0.00 3.11 3.66 0.00 6.01 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.12 3.44 0.00 3.13 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 87 H 8.21 4.46 0.00 3.11 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.71 4.65 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 *89 H 8.33 4.25 0.00 2.95 2.91 0.00 7.23 0.00 0.00 0.00 0.00 6.91 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.