NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.3291 8.3027 120.2276 56.3760 30.2232 175.8101 8 T 3.6228 8.2044 117.6531 64.4646 67.2452 173.4348 9 K 3.8475 8.3237 120.1545 59.8956 32.4749 178.4111 10 L 4.0675 8.0030 119.5026 57.9356 42.1123 178.2613 11 E 4.0900 8.4518 118.0502 58.1594 29.4226 178.6332 12 E 3.9319 8.2454 120.2448 59.4740 29.7416 178.4548 13 E 4.2983 7.9657 118.5130 58.8086 29.6518 178.7014 14 R 3.8926 8.3924 119.5896 59.5468 30.1574 178.2998 15 N 4.4960 8.8487 116.6894 56.1556 38.3798 176.9428 16 H 4.2003 8.6321 120.3124 59.2098 30.0101 177.1032 17 L 3.8324 8.1324 122.0999 58.1358 42.0000 178.2985 18 E 3.9636 8.7156 119.0011 59.7553 29.4437 179.2662 19 E 3.9573 8.6114 119.2216 59.1597 29.7553 178.4909 20 L 4.0709 8.1718 120.5176 58.3366 42.1869 178.9693 21 L 4.1383 8.5064 119.3248 57.6556 41.4934 179.1229 22 E 3.9498 8.4268 119.3020 59.3057 29.5568 178.8868 23 K 3.6841 8.2077 118.5729 59.6194 31.8816 179.5033 24 V 3.7493 7.8279 117.2977 65.6868 31.5054 177.6001 25 E 4.1126 8.1752 118.4015 59.3035 29.6476 178.3982 26 E 4.0397 8.0448 117.0053 59.0804 29.7688 177.3932 27 D 4.4738 7.8297 116.3077 55.9478 41.9147 176.8477 28 Y 4.6363 7.0823 119.9869 56.9763 36.8884 175.6750 29 E 4.0002 8.8315 127.1298 58.8093 30.0682 178.5415 30 G 3.6735 8.1565 106.6300 47.1146 0.0000 173.2048 31 I 4.2350 7.1111 120.2562 58.9183 39.2768 175.2074 32 N 4.5313 8.6381 124.1783 53.0394 39.7205 174.1871 33 Y 4.0476 8.8829 129.1994 61.4545 38.8591 178.2151 34 D 4.5478 8.5326 118.6401 57.1898 40.8743 178.4216 35 E 4.0443 8.1103 118.9390 58.9099 29.6256 178.9997 36 V 3.5650 7.8843 118.4787 65.9465 31.6072 177.9884 37 L 3.8631 7.9478 118.9678 57.9595 41.2601 179.4883 38 E 3.9652 7.9142 116.7666 59.2739 29.6773 178.6684 39 A 4.1447 8.2158 120.9102 55.7896 18.4596 179.8287 40 L 4.3399 8.3384 116.6325 57.7668 41.6558 180.0269 41 K 4.1451 8.3167 118.5741 59.1676 31.7798 179.0555 42 L 3.9122 7.9556 119.4664 57.6066 41.2445 178.7309 43 F 5.1145 7.8750 116.5466 57.8341 39.2397 176.8633 44 K 4.3435 8.3037 118.4163 58.5992 32.2244 177.6680 45 D 4.7538 8.1582 116.9884 55.1224 42.2690 176.3975 46 N 4.9976 8.1225 116.7706 51.5399 41.7171 174.2868 47 Y 4.0679 9.0258 125.4822 59.8864 39.9258 175.3028 48 E 5.1295 8.1444 118.0058 54.3366 32.8603 174.7519 49 L 4.6825 9.0967 124.9737 53.6473 44.6903 173.2968 50 P 4.6799 0.0000 0.0000 62.6247 31.9285 178.0296 51 K 4.1222 8.8091 121.1770 59.4183 32.7552 178.8209 52 S 4.4177 7.9254 112.3999 59.3535 63.1721 175.0976 53 K 4.1501 7.8505 120.6932 58.3442 32.0284 177.0533 54 I 4.6705 7.2357 118.6228 58.1475 40.7798 176.0008 55 K 4.0002 8.5490 123.2247 56.4680 33.6464 177.8477 56 R 3.8557 8.6524 123.6988 59.8517 30.0754 178.7873 57 K 3.9596 8.1277 117.4399 59.7149 31.9246 179.2504 58 I 3.8406 7.6862 119.5910 64.1663 37.2097 178.3355 59 R 3.9519 8.4773 117.4299 59.5123 29.0940 178.7852 60 I 3.6621 8.2325 121.1941 63.9265 37.0814 178.1820 61 F 4.0340 8.2139 121.1774 61.4295 39.2600 177.3146 62 L 3.8587 8.3537 118.6280 57.3480 41.2713 179.7603 63 I 4.0013 7.8004 121.5205 63.8030 36.9467 177.9763 64 K 3.7748 7.8306 119.1690 59.3494 31.8622 177.3970 65 E 4.2983 7.6620 116.0291 55.0052 29.7518 175.6060 66 N 4.2233 7.8522 114.7843 54.6580 37.0409 175.4499 67 I 4.2442 7.9629 119.5766 62.3450 39.2608 176.3633 68 L 5.0677 7.7203 120.0275 52.6439 45.6436 175.2422 69 F 4.8809 9.3153 124.2313 56.3408 41.8982 173.7881 70 L 4.5365 7.7250 128.0267 53.8388 43.3604 175.0272 71 N 4.4673 8.7897 126.2239 51.5235 39.2449 173.7631 72 P 4.2821 0.0000 0.0000 65.3750 31.9665 178.5848 73 Q 4.0956 8.1668 116.5332 59.0676 28.6984 177.6863 74 K 4.1021 8.8345 115.2090 56.6277 32.5744 177.5002 75 G 3.9164 8.2191 107.8803 46.8002 0.0000 173.1250 76 T 5.1541 7.6780 107.7701 59.4427 72.5660 172.4525 77 L 5.4401 8.9891 122.1378 53.2948 45.3422 175.6601 78 K 4.8787 8.3697 118.9641 55.6212 35.6389 173.2582 79 P 4.4736 0.0000 0.0000 62.7419 31.8561 177.4982 80 Q 4.2905 8.8828 124.7582 59.0455 29.7072 175.8720 81 S 4.5917 7.6353 108.8150 56.0781 66.4226 174.8851 82 Y 4.6619 8.5191 118.1678 61.1954 37.4748 178.4024 83 L 4.0720 8.2649 119.6687 58.0730 41.6954 179.6992 84 V 3.6239 7.9898 117.7287 65.8392 31.5253 177.7384 85 W 4.5061 8.6792 128.3648 60.9018 30.5495 177.6644 86 N 4.2054 9.0236 116.4416 55.7824 37.6991 177.3837 87 A 4.0132 7.7977 121.9788 54.9201 18.5249 179.2720 88 I 3.8269 7.7586 117.5746 64.6233 37.3436 178.3438 89 K 4.0467 7.5725 117.5508 59.4405 31.9120 179.1654 90 R 4.0001 7.3926 113.9283 57.2990 29.6809 176.1732 *92 L 4.1273 7.8322 122.6083 54.9613 42.1210 176.5617 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 7 E 8.30 4.33 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 2.30 2.26 0.00 8 T 8.20 3.62 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 9 K 8.32 3.85 0.00 2.06 1.89 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.53 7.81 10 L 8.00 4.07 0.00 2.02 1.67 1.00 1.07 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 11 E 8.45 4.09 0.00 2.25 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 0.00 2.34 2.46 0.00 12 E 8.25 3.93 0.00 2.41 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 0.00 2.31 2.37 0.00 13 E 7.97 4.30 0.00 2.18 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 2.45 2.43 0.00 14 R 8.39 3.89 0.00 2.22 2.08 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.73 0.00 15 N 8.85 4.50 0.00 3.00 2.88 0.00 0.00 6.69 8.82 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 16 H 8.63 4.20 0.00 3.22 3.42 0.00 5.61 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 17 L 8.13 3.83 0.00 1.97 1.65 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.72 3.96 0.00 2.24 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 2.37 2.54 0.00 19 E 8.61 3.96 0.00 2.14 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 2.35 0.00 20 L 8.17 4.07 0.00 1.95 1.83 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.51 4.14 0.00 1.99 1.91 0.94 0.67 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 22 E 8.43 3.95 0.00 2.07 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 0.00 2.28 2.34 0.00 23 K 8.21 3.68 0.00 2.06 1.54 0.00 1.41 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.66 7.81 24 V 7.83 3.75 2.38 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 0.88 0.00 0.00 1.25 0.00 0.00 25 E 8.18 4.11 0.00 1.71 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 2.15 2.09 0.00 26 E 8.04 4.04 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 27 D 7.83 4.47 0.00 2.24 2.42 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 28 Y 7.08 4.64 0.00 2.98 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 29 E 8.83 4.00 0.00 1.96 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 0.00 2.30 2.32 0.00 30 G 8.16 3.67 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 0.00 0.00 0.00 31 I 7.11 4.24 1.61 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.01 0.48 0.00 0.00 32 N 8.64 4.53 0.00 2.85 2.94 0.00 0.00 6.78 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 33 Y 8.88 4.05 0.00 3.07 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 34 D 8.53 4.55 0.00 2.83 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 35 E 8.11 4.04 0.00 2.20 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 0.00 2.40 2.37 0.00 36 V 7.88 3.56 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 1.03 0.00 0.00 0.96 0.00 0.00 37 L 7.95 3.86 0.00 1.79 1.65 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.91 3.97 0.00 1.96 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 0.00 2.52 2.48 0.00 39 A 8.22 4.14 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 40 L 8.34 4.34 0.00 1.76 1.83 0.94 0.72 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 41 K 8.32 4.15 0.00 2.01 1.89 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.66 7.81 42 L 7.96 3.91 0.00 1.46 1.40 0.80 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.88 5.11 0.00 3.40 3.33 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 0.00 0.00 0.00 0.00 44 K 8.30 4.34 0.00 1.89 1.91 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.50 7.81 45 D 8.16 4.75 0.00 2.68 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 46 N 8.12 5.00 0.00 2.59 2.66 0.00 0.00 6.53 7.35 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 47 Y 9.03 4.07 0.00 2.50 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 48 E 8.14 5.13 0.00 1.98 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 2.19 2.38 0.00 49 L 9.10 4.68 0.00 1.60 1.58 0.77 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.68 0.00 2.17 2.00 0.00 3.54 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 2.09 2.07 0.00 51 K 8.81 4.12 0.00 1.93 2.05 0.00 1.28 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.36 7.81 52 S 7.93 4.42 0.00 3.99 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 53 K 7.85 4.15 0.00 1.84 1.83 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 54 I 7.24 4.67 1.91 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 0.96 0.00 0.00 55 K 8.55 4.00 0.00 1.80 1.75 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 56 R 8.65 3.86 0.00 1.87 1.94 0.00 3.19 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 57 K 8.13 3.96 0.00 1.83 1.85 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.55 7.81 58 I 7.69 3.84 2.06 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 1.68 0.68 0.98 0.00 0.00 59 R 8.48 3.95 0.00 2.01 2.22 0.00 2.76 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.68 0.00 60 I 8.23 3.66 2.15 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 1.40 0.77 0.93 0.00 0.00 61 F 8.21 4.03 0.00 3.21 3.26 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 0.00 62 L 8.35 3.86 0.00 1.74 1.68 1.01 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.80 4.00 2.03 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 1.42 1.59 0.85 0.00 0.00 64 K 7.83 3.77 0.00 1.65 1.98 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.42 7.81 65 E 7.66 4.30 0.00 1.57 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 0.00 1.60 1.47 0.00 66 N 7.85 4.22 0.00 2.86 2.88 0.00 0.00 6.81 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 67 I 7.96 4.24 1.92 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.98 0.84 0.00 0.00 68 L 7.72 5.07 0.00 1.48 1.42 0.97 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 69 F 9.32 4.88 0.00 2.98 2.81 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 0.00 0.00 0.00 70 L 7.72 4.54 0.00 1.46 1.21 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.79 4.47 0.00 2.89 2.70 0.00 0.00 6.82 7.32 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 72 P 0.00 4.28 0.00 2.04 2.03 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 73 Q 8.17 4.10 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 74 K 8.83 4.10 0.00 1.71 1.87 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.53 7.81 75 G 8.22 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.68 5.15 4.32 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 1.28 0.00 0.00 77 L 8.99 5.44 0.00 1.76 1.71 1.01 0.83 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 78 K 8.37 4.88 0.00 1.04 1.58 0.00 1.37 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.11 7.81 79 P 0.00 4.47 0.00 2.24 2.02 0.00 2.58 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.78 0.00 80 Q 8.88 4.29 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 81 S 7.64 4.59 0.00 3.97 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 82 Y 8.52 4.66 0.00 3.09 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 83 L 8.26 4.07 0.00 1.76 1.81 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.99 3.62 2.33 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 1.13 0.00 0.00 1.02 0.00 0.00 85 W 8.68 4.51 0.00 3.56 3.63 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 86 N 9.02 4.21 0.00 2.81 2.80 0.00 0.00 6.91 7.51 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 87 A 7.80 4.01 1.39 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 0.00 0.00 0.00 88 I 7.76 3.83 2.15 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 1.59 0.72 1.09 0.00 0.00 89 K 7.57 4.05 0.00 1.59 1.65 0.00 1.23 0.00 0.00 0.77 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.19 1.00 7.81 90 R 7.39 4.00 0.00 1.90 2.05 0.00 3.28 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 *92 L 7.83 4.13 0.00 1.90 1.64 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.