NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3176 8.1733 120.1301 56.5330 34.5722 174.6153 3 L 4.5977 8.2614 121.5833 54.4224 42.6198 174.6421 4 A 4.4970 8.1228 122.3715 50.8035 23.5721 175.2123 5 V 4.4772 8.1224 119.6457 59.9285 34.5474 175.6197 6 V 4.2683 8.5802 123.9063 62.4173 31.2557 176.4308 7 T 3.7995 8.5156 119.0881 63.0504 70.0733 175.3039 8 G 4.0217 7.4532 108.7627 45.8758 0.0000 171.3932 9 Q 4.7762 8.5126 118.3159 55.3191 31.9019 174.0451 10 I 4.6684 8.5939 120.0027 59.4204 40.6298 175.4045 11 V 4.2937 8.4232 125.0173 61.4915 33.4215 175.0796 12 C 4.7221 8.6309 125.4676 57.6403 29.2778 173.7976 13 T 3.8319 8.5134 114.5841 64.1506 68.6014 175.4901 14 V 3.9971 7.5865 124.3701 61.0498 31.1346 174.6210 15 R 4.6424 7.9649 122.3941 54.1621 32.7022 174.2234 16 H 3.9579 8.7284 117.7881 56.8593 30.2835 175.8500 17 H 4.2376 8.5046 123.4121 58.4684 28.7705 177.6003 18 G 3.8462 8.0559 107.1805 47.6512 0.0000 174.2230 19 L 4.3188 8.3280 119.2067 54.4069 43.7396 179.1658 20 A 3.7532 7.7609 120.9178 53.6912 17.8407 177.6489 21 H 4.9104 9.0981 112.6028 56.9576 30.1931 172.9312 22 D 4.6638 8.1230 119.3230 53.9794 41.5149 176.8892 23 K 4.1685 8.4648 120.9703 56.6169 33.6814 176.0793 24 L 4.9118 8.5349 123.4796 53.0235 43.4294 174.3723 25 L 4.9510 8.9408 128.2961 54.6325 44.8422 176.8589 *27 V 4.2319 8.2516 118.0172 62.3291 33.2816 174.0076 28 E 5.3335 8.4418 124.2743 54.6982 33.3546 174.8936 *30 I 3.9651 8.3562 118.3317 60.6297 38.3945 175.1351 31 D 4.5668 8.8180 125.5442 52.2303 39.8269 175.2966 32 P 4.4262 0.0000 0.0000 64.6520 31.1872 176.7938 33 Q 4.3745 8.2387 117.1148 55.6367 29.0087 175.8952 34 G 4.2242 8.4453 106.0082 45.9908 0.0000 173.0900 35 N 5.0785 9.5485 118.2411 49.9697 41.0762 172.3613 36 P 4.5867 0.0000 0.0000 62.6567 32.7742 175.3533 37 D 4.9855 8.2666 131.6760 53.4985 38.1939 177.1985 38 G 4.0355 8.6456 107.2501 44.8613 0.0000 171.4593 39 Q 4.3248 7.9084 119.9302 54.8852 29.4196 174.5231 40 C 5.3201 8.1681 119.5787 58.3458 31.9754 172.6414 41 A 4.4560 8.4874 121.6006 51.6805 22.6024 175.4413 42 V 4.6092 8.3447 118.2455 61.2448 33.6556 174.6950 43 A 4.9730 9.2374 129.2333 49.9498 22.7184 175.0924 44 I 4.3649 8.3424 120.5349 60.8730 39.4519 174.3654 45 D 5.1387 8.9609 126.7642 52.6551 44.4194 175.1064 46 N 5.1924 8.9326 120.2242 52.4784 38.5975 174.6375 47 I 4.0834 8.5376 119.7804 61.2559 38.7531 175.0156 48 G 3.5622 8.4966 107.0820 45.5348 0.0000 172.3622 49 A 4.6624 9.5468 122.6571 50.5541 21.2479 177.1208 50 G 4.1682 8.1916 110.3602 43.4188 0.0000 172.9811 51 T 4.0462 8.1239 115.9305 64.8985 68.7330 175.5085 52 G 4.0339 9.5726 114.4412 45.3011 0.0000 173.0028 53 E 4.8702 7.7608 118.9016 54.6779 32.3077 174.9754 54 W 4.9970 8.7692 121.9012 55.8656 31.3797 175.8470 55 V 4.9638 9.0567 116.6274 59.5933 36.2523 173.7362 56 L 4.9931 8.6588 122.9225 53.4311 44.3577 175.0930 57 L 5.4662 8.6585 125.1416 52.8203 45.3860 176.1871 58 V 4.4958 8.6067 120.8511 60.1401 34.3522 174.9300 59 S 5.1049 8.0595 118.6784 56.4690 66.0717 175.4292 60 G 3.8268 8.5834 107.3023 46.6424 0.0000 175.8212 61 S 4.1753 8.5035 113.7138 61.3142 63.1487 176.5534 62 S 4.2757 8.0542 118.0202 60.8508 62.5600 176.0876 63 A 3.9991 7.6962 124.2340 54.8428 18.0606 179.6984 64 R 3.8713 7.9576 116.1750 59.7245 30.0246 179.0585 65 Q 3.9931 7.5167 114.6273 58.9280 28.7744 178.4068 66 A 4.1396 7.9036 120.8643 55.4146 18.4473 178.9649 67 H 4.3173 8.2840 115.8519 58.6485 30.1170 174.9721 68 K 4.6314 7.9882 119.7697 56.5848 40.3500 175.4052 69 S 4.5344 7.9508 110.8783 57.3909 65.7461 174.5441 70 E 4.0917 8.7392 120.4738 58.5449 29.3041 177.2893 71 T 4.2862 7.5634 106.9639 62.6013 69.6240 175.4991 72 S 4.1931 7.8056 119.8548 58.4830 63.7428 173.3827 73 P 4.5586 0.0000 0.0000 62.0685 30.2197 174.7712 74 V 4.5658 7.0890 110.7967 60.6520 35.8903 176.1909 75 D 4.6259 8.0123 116.0928 52.9919 40.6773 174.1364 76 L 4.5941 7.3706 117.4087 55.1881 45.1976 172.5978 77 C 5.4286 8.8645 126.9114 57.4749 35.6810 172.8085 78 V 4.6365 8.2106 124.2126 60.7646 31.8488 175.7122 79 I 4.3533 8.3324 118.5179 59.5869 38.4578 175.8694 80 G 4.1729 7.3980 113.1684 45.8746 0.0000 172.0951 81 I 4.5593 8.1857 122.1550 59.6717 38.6159 175.5548 82 V 4.1276 8.6856 125.8564 62.4916 31.4247 175.4754 83 D 4.7006 8.9990 128.6028 56.9857 42.0628 176.0629 84 E 4.7986 7.6440 112.0285 55.7452 32.1435 175.4886 85 V 4.5561 8.9348 120.8686 61.2068 34.9108 174.1725 86 V 4.4902 8.6465 127.2827 62.9733 33.2755 172.7887 87 S 4.3030 9.3702 122.5204 58.8422 63.4737 175.8365 88 G 3.8406 8.8754 109.8407 45.2647 0.0000 175.7479 89 G 4.0288 8.0308 105.2350 45.5535 0.0000 173.0923 90 Q 4.6157 7.4269 118.1741 53.7657 31.0507 174.9215 91 V 4.1878 8.2207 120.7090 62.8498 31.8885 175.7615 92 I 4.4276 8.7705 120.8163 61.1949 39.0673 175.4964 93 F 4.5141 7.5874 122.9973 57.5876 42.4729 171.9286 94 H 4.5749 7.1333 124.1318 53.6802 32.8657 172.7155 95 K 3.5059 8.5899 125.2460 57.0829 32.0112 176.5269 96 L 3.9901 8.5587 125.2013 56.4358 41.8143 177.2122 97 E 4.6583 7.8614 118.6608 57.1866 28.8531 176.1489 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 K 8.17 4.32 0.00 1.78 1.96 0.00 1.42 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.41 7.81 3 L 8.26 4.60 0.00 1.35 1.18 0.98 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.12 4.50 1.08 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 5 V 8.12 4.48 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 1.07 0.00 0.00 6 V 8.58 4.27 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 1.00 0.00 0.00 0.94 0.00 0.00 7 T 8.52 3.80 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 1.20 0.00 0.00 8 G 7.45 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.51 4.78 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 10 I 8.59 4.67 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.67 0.90 0.00 0.00 11 V 8.42 4.29 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 0.82 0.00 0.00 0.93 0.00 0.00 12 C 8.63 4.72 0.00 2.93 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 13 T 8.51 3.83 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 1.22 0.00 0.00 14 V 7.59 4.00 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 0.83 0.00 0.00 0.93 0.00 0.00 15 R 7.96 4.64 0.00 1.87 1.81 0.00 3.34 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 16 H 8.73 3.96 0.00 3.20 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.50 4.24 0.00 3.24 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.06 3.85 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 0.00 0.00 0.00 19 L 8.33 4.32 0.00 1.79 1.71 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.76 3.75 1.13 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 21 H 9.10 4.91 0.00 3.13 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.12 4.66 0.00 2.76 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 23 K 8.46 4.17 0.00 1.74 1.74 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.58 7.81 24 L 8.53 4.91 0.00 1.76 1.57 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.94 4.95 0.00 1.51 1.39 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 *27 V 8.25 4.23 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 0.64 0.00 0.00 0.92 0.00 0.00 28 E 8.44 5.33 0.00 1.93 1.57 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 2.10 2.18 0.00 *30 I 8.36 3.97 1.25 0.00 0.00 -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 0.88 0.13 0.49 0.00 0.00 31 D 8.82 4.57 0.00 2.78 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 32 P 0.00 4.43 0.00 2.21 2.22 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 33 Q 8.24 4.37 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.36 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 34 G 8.45 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 35 N 9.55 5.08 0.00 2.86 2.71 0.00 0.00 6.79 7.91 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 36 P 0.00 4.59 0.00 2.13 1.99 0.00 3.81 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 1.99 1.98 0.00 37 D 8.27 4.99 0.00 2.77 2.30 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 38 G 8.65 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 0.00 0.00 0.00 39 Q 7.91 4.32 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 40 C 8.17 5.32 0.00 2.78 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 41 A 8.49 4.46 1.15 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 42 V 8.34 4.61 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 0.84 0.00 0.00 0.91 0.00 0.00 43 A 9.24 4.97 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 44 I 8.34 4.36 1.80 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 0.99 1.20 0.95 0.00 0.00 45 D 8.96 5.14 0.00 2.80 2.44 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 0.00 46 N 8.93 5.19 0.00 2.78 3.04 0.00 0.00 6.15 7.81 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 47 I 8.54 4.08 1.99 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 1.25 0.63 0.93 0.00 0.00 48 G 8.50 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.55 4.66 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 50 G 8.19 4.17 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 0.00 51 T 8.12 4.05 4.27 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 1.31 0.00 0.00 52 G 9.57 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 0.00 0.00 0.00 53 E 7.76 4.87 0.00 2.19 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 2.36 2.35 0.00 54 W 8.77 5.00 0.00 2.88 2.86 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 0.00 0.00 0.00 55 V 9.06 4.96 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.92 0.00 0.00 56 L 8.66 4.99 0.00 1.77 1.49 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.66 5.47 0.00 1.49 1.48 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.61 4.50 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 0.79 0.00 0.00 0.93 0.00 0.00 59 S 8.06 5.10 0.00 3.72 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.58 3.83 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 0.00 0.00 0.00 61 S 8.50 4.18 0.00 4.06 4.13 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 62 S 8.05 4.28 0.00 3.88 3.95 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 63 A 7.70 4.00 1.35 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 64 R 7.96 3.87 0.00 2.00 2.20 0.00 3.37 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 65 Q 7.52 3.99 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 66 A 7.90 4.14 1.38 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 67 H 8.28 4.32 0.00 3.11 3.53 0.00 5.81 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 68 K 7.99 4.63 0.00 1.52 1.68 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.32 7.81 69 S 7.95 4.53 0.00 4.02 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 70 E 8.74 4.09 0.00 1.93 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 0.00 2.29 2.36 0.00 71 T 7.56 4.29 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 1.22 0.00 0.00 72 S 7.81 4.19 0.00 3.97 3.93 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 0.00 0.00 0.00 73 P 0.00 4.56 0.00 2.01 1.84 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.69 0.00 74 V 7.09 4.57 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 0.63 0.00 0.00 0.90 0.00 0.00 75 D 8.01 4.63 0.00 2.81 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 76 L 7.37 4.59 0.00 1.70 1.48 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.86 5.43 0.00 2.98 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 78 V 8.21 4.64 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 0.88 0.00 0.00 0.97 0.00 0.00 79 I 8.33 4.35 1.88 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 1.27 0.70 0.92 0.00 0.00 80 G 7.40 4.17 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 0.00 81 I 8.19 4.56 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 1.10 0.00 0.00 82 V 8.69 4.13 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 1.12 0.00 0.00 1.10 0.00 0.00 83 D 9.00 4.70 0.00 2.67 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 84 E 7.64 4.80 0.00 1.97 1.61 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 2.08 2.23 0.00 85 V 8.93 4.56 2.35 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 1.09 0.00 0.00 1.30 0.00 0.00 86 V 8.65 4.49 2.11 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 0.92 0.00 0.00 0.95 0.00 0.00 87 S 9.37 4.30 0.00 3.89 3.60 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 88 G 8.88 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.03 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 0.00 0.00 0.00 90 Q 7.43 4.62 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 91 V 8.22 4.19 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 0.80 0.00 0.00 0.92 0.00 0.00 92 I 8.77 4.43 2.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.01 1.02 0.00 0.00 93 F 7.59 4.51 0.00 2.21 2.46 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 94 H 7.13 4.57 0.00 2.88 2.74 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.59 3.51 0.00 1.35 1.66 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.70 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.75 7.81 96 L 8.56 3.99 0.00 1.62 1.76 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.86 4.66 0.00 2.04 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 2.01 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.