NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3408 8.2893 120.3397 55.5024 32.8116 174.4097 2 Q 4.5143 8.4303 123.6493 53.7351 31.4657 173.2234 3 I 4.6606 8.7178 119.8861 59.4282 41.2004 176.6082 4 K 4.2599 8.3389 126.1727 55.9383 33.2678 175.9704 5 I 4.7480 8.1883 124.3512 58.8649 40.9137 174.0194 6 K 4.5201 8.7974 130.2198 54.7797 34.7777 174.1133 7 Y 5.0967 8.3834 123.7520 56.1187 39.5474 175.4783 8 L 4.0635 8.8003 125.9218 58.2981 43.0100 176.3860 9 D 4.5955 7.7875 115.7235 52.1294 41.6063 175.7057 10 E 4.0940 8.7860 117.4761 58.4301 29.4261 177.6458 11 T 4.2591 8.0051 108.9576 62.1455 69.7702 175.3815 12 Q 4.0568 7.6779 121.6992 55.8529 29.2252 176.2616 13 T 3.8024 8.2432 118.9300 63.4463 68.6659 174.4072 14 R 3.5826 8.3050 126.3506 55.9410 30.3474 176.6216 15 I 4.2479 8.9124 119.2460 61.7903 37.6597 177.8618 *16 N 4.3401 8.0824 118.7103 54.7262 37.1953 180.9762 17 K 4.4095 8.5058 121.9641 57.6928 31.8947 182.2009 18 M 4.9507 7.6741 116.3763 54.0855 35.1301 180.8489 19 E 5.7665 7.7853 121.7148 57.6823 32.7186 178.4332 20 Q 4.5864 8.9887 119.3231 55.1851 31.2872 177.4205 21 G 3.5318 8.2600 107.1322 46.0492 0.0000 174.0894 22 D 4.6909 7.7082 119.8693 53.5541 41.5421 176.0179 23 W 4.2178 8.9076 121.4133 57.2821 30.1217 175.4408 24 I 4.3931 8.2962 124.4066 59.7957 38.4610 175.1016 25 D 5.1384 8.8515 127.0287 54.4017 41.7861 175.6481 26 L 5.0306 9.4102 122.1177 53.1092 45.5266 175.7295 27 R 5.1511 8.3258 119.1275 53.8207 34.6276 174.7271 28 A 4.4605 8.4868 123.4972 52.5985 19.0694 178.2109 29 A 4.4249 9.0745 123.7668 52.8720 19.2330 176.3617 30 E 4.6482 7.3764 111.6612 55.4106 32.3224 174.9019 31 D 4.7382 8.6697 120.0251 54.4150 41.6184 176.6137 32 V 4.4359 9.2865 122.5881 61.0994 34.9738 173.5705 33 A 5.3169 8.7450 129.3862 50.2484 21.0489 175.4726 34 I 4.5221 8.8386 123.6099 59.3527 40.6903 175.7609 35 K 4.6498 8.5591 125.7960 55.0938 33.9006 176.3777 36 K 3.8824 8.8269 123.6876 58.3504 32.3878 176.2202 37 D 4.2661 8.7838 123.7547 54.6069 39.0590 173.2176 38 E 4.7598 7.3819 116.8303 54.5131 32.8476 174.8160 39 F 5.4433 8.6230 124.0056 56.8273 41.8175 174.8605 40 K 4.1131 8.0422 125.4509 55.0915 36.1036 174.5294 41 L 4.5537 8.1391 127.8462 53.8447 42.3786 176.4046 42 V 4.0662 8.8972 126.3234 61.3718 32.8579 173.6634 43 P 3.8843 0.0000 0.0000 62.6751 31.9847 176.7588 44 L 4.8187 7.9538 122.6408 52.6103 43.3513 177.8134 45 G 4.0130 7.9375 106.8599 46.0664 0.0000 173.1489 46 V 4.9013 7.3310 111.6821 59.0683 35.9609 174.5789 47 A 4.7476 8.3415 124.2947 50.4111 22.2060 175.0729 48 M 4.9885 8.4772 119.5291 53.4894 37.4331 174.1248 49 E 4.7542 8.7504 122.1663 54.4290 31.3909 175.5133 50 L 4.5097 8.4852 126.6896 53.3388 43.2666 175.5078 51 P 4.3384 0.0000 0.0000 62.1973 31.9009 175.9715 52 E 4.2757 8.5853 121.9850 57.9254 30.0559 177.3574 53 G 3.9544 9.5705 113.1665 45.8428 0.0000 172.0352 54 Y 5.2361 7.8690 116.5951 55.9965 42.0581 174.1291 55 E 5.2173 9.1899 117.1951 55.1330 33.8788 173.8633 56 A 5.4508 9.1104 122.0087 50.5772 22.4810 175.0555 57 H 5.5387 9.2134 117.5865 54.0037 32.0860 173.1685 58 V 5.3318 8.9899 123.3260 61.4460 33.9921 174.7976 59 V 5.1665 9.1377 120.0978 58.8985 36.4040 173.2187 60 P 5.0977 0.0000 0.0000 62.4783 32.6268 176.3792 61 R 4.2394 8.3113 119.4283 55.6824 30.6310 178.3745 62 S 4.1610 8.6595 115.1379 60.9531 63.1526 175.2623 63 S 4.6823 7.9311 113.8418 58.4329 63.5887 175.8321 64 T 4.0922 8.1410 120.3235 67.1571 68.1013 175.8693 65 Y 3.9639 8.0358 120.9226 60.6587 38.8061 177.6004 66 K 3.8984 8.1440 118.6310 59.5763 32.3395 177.8923 67 N 4.1021 7.8866 115.7584 54.9206 38.4890 175.8995 68 F 4.7305 8.0971 116.1555 55.9918 40.9614 175.9733 69 G 3.4741 8.3403 109.4643 46.2641 0.0000 173.4839 70 V 5.3393 7.2605 108.3908 59.1503 35.0865 175.1079 71 I 4.8972 8.6863 115.1455 59.2247 41.4449 174.5011 72 Q 4.4197 8.7185 125.1343 55.1441 29.0925 176.0448 73 T 3.7960 8.5857 119.0102 64.7355 68.6538 174.6398 74 N 4.5476 8.0329 116.4218 52.0208 36.9190 174.0949 75 S 3.9332 7.7712 115.6405 59.0103 62.2690 170.6340 76 M 4.9400 7.6042 119.0383 53.8330 34.9644 174.9496 77 G 3.9314 9.4153 114.1971 45.7117 0.0000 172.4034 78 V 4.8381 8.1350 122.2225 60.7687 34.1872 174.5529 79 I 4.0802 8.2182 128.6620 59.3794 39.3766 174.9092 80 D 4.9419 8.4751 127.2274 53.2882 42.2932 176.5984 81 E 4.2033 8.2759 121.0107 59.4963 29.3733 178.6704 82 S 4.2640 8.6700 113.7785 60.3777 63.8050 174.3467 83 Y 4.5887 7.8212 125.0369 56.4663 36.7091 174.6582 84 K 4.8619 7.0169 115.2897 54.9160 34.1962 177.5762 85 G 3.6630 8.4743 109.3344 45.6537 0.0000 174.8065 86 D 4.2817 8.5040 119.3726 55.8734 41.3701 176.5863 87 N 5.0297 7.8365 114.0021 52.9790 38.1312 175.3620 88 D 4.3428 7.1666 120.7341 53.3497 39.1974 176.2540 89 F 4.6275 7.8424 118.6129 56.8986 40.6585 176.0021 90 W 4.9799 9.2619 124.3907 56.8169 30.3659 175.4822 91 F 5.2901 8.9010 120.0550 55.9092 42.9920 173.9719 92 F 4.8171 9.4670 125.3429 55.9207 41.0515 173.2732 93 P 4.6539 0.0000 0.0000 62.8150 31.6191 174.3573 94 A 5.3380 8.7221 128.3544 50.4597 21.6942 174.4655 95 Y 5.1714 8.9302 123.3111 55.6890 41.5600 174.3357 96 A 4.5817 8.4870 129.6726 51.6522 19.6042 177.4552 97 L 4.7347 9.0999 122.9575 55.1466 42.4014 176.9373 98 R 4.5286 7.6719 113.1686 54.6088 31.6762 174.1026 99 D 4.6137 8.5840 118.9600 55.8371 41.4183 176.1036 100 T 4.7246 9.2033 118.7841 61.3049 71.5273 172.8553 101 K 5.0727 8.7316 130.3473 53.5254 34.9030 174.8212 102 I 4.4110 9.2934 127.8041 58.5819 39.2671 175.3499 103 K 4.7485 9.4599 127.2289 54.8648 33.8665 176.6143 104 K 3.9760 8.8508 125.4666 58.3481 32.3847 177.2263 105 G 3.9945 8.8116 115.1927 45.1930 0.0000 173.5097 106 D 4.4592 8.0661 121.0384 54.1586 41.3018 175.7623 107 R 4.6810 8.5875 123.4633 55.8493 30.4060 176.2408 108 I 4.2940 8.3562 115.5941 60.7948 39.6937 174.3948 109 C 5.0718 7.5272 114.4484 57.2686 33.5687 172.3342 110 Q 5.4816 9.6061 116.2855 55.3077 32.2671 173.4581 111 F 6.2638 9.6632 114.2443 56.1060 42.1251 172.9319 112 R 4.3213 8.0203 114.2491 54.9129 32.5122 173.6895 113 I 5.0159 7.8389 113.0711 60.0624 40.4630 174.1620 114 M 4.8505 8.8609 123.1314 54.6884 35.9393 174.5934 115 K 3.4484 8.2177 127.4956 54.6690 32.4429 177.6734 116 K 4.3061 8.3657 124.1041 55.4855 32.8114 177.1396 117 M 4.1826 8.4171 119.2796 54.5158 31.7986 174.6556 118 P 4.3418 0.0000 0.0000 62.0774 32.1856 176.3031 119 A 4.0953 8.3706 123.6817 52.4496 18.7784 177.5535 120 V 4.5188 8.1371 114.8106 59.4158 35.2722 174.8201 121 D 4.7506 8.4177 120.1997 52.7369 42.8393 176.5426 122 L 4.3473 8.3839 125.4155 53.4605 40.6481 175.0905 123 I 4.1956 7.8196 123.7322 59.5132 38.2706 175.7634 124 E 4.1636 8.6458 126.7381 56.0073 30.2206 176.0709 125 V 4.5979 7.9429 117.8209 59.6866 35.5239 175.3738 126 D 4.5176 8.8352 124.1403 56.6033 41.3069 178.0091 127 R 4.7031 7.7520 115.4163 53.9873 32.9788 177.9091 128 L 4.3720 8.4199 121.9435 54.6468 42.3224 176.0220 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 1 M 8.29 4.34 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 2 Q 8.43 4.51 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.58 0.00 0.00 0.00 0.00 0.00 2.18 2.41 0.00 3 I 8.72 4.66 1.86 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.64 0.89 0.00 0.00 4 K 8.34 4.26 0.00 1.71 1.66 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.35 7.81 5 I 8.19 4.75 1.65 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.50 0.77 0.00 0.00 6 K 8.80 4.52 0.00 1.64 1.33 0.00 1.72 0.00 0.00 1.48 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 7 Y 8.38 5.10 0.00 2.94 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 8 L 8.80 4.06 0.00 1.28 1.60 0.32 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.79 4.60 0.00 2.87 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 10 E 8.79 4.09 0.00 2.06 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 0.00 2.25 2.23 0.00 11 T 8.01 4.26 4.20 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 1.18 0.00 0.00 12 Q 7.68 4.06 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.72 2.56 0.00 13 T 8.24 3.80 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 1.19 0.00 0.00 14 R 8.31 3.58 0.00 1.74 1.78 0.00 2.21 0.00 0.00 2.98 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.29 0.00 15 I 8.91 4.25 1.97 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 1.36 1.25 1.09 0.00 0.00 *16 N 8.08 4.34 0.00 2.68 2.86 0.00 0.00 7.17 7.14 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 17 K 8.51 4.41 0.00 1.73 1.74 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.26 7.81 18 M 7.67 4.95 0.00 2.02 1.79 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 19 E 7.79 5.77 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 1.98 1.65 0.00 20 Q 8.99 4.59 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.15 1.88 0.00 21 G 8.26 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.71 4.69 0.00 2.72 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 23 W 8.91 4.22 0.00 3.10 3.20 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 24 I 8.30 4.39 1.21 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.55 0.97 0.00 0.00 25 D 8.85 5.14 0.00 2.63 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 26 L 9.41 5.03 0.00 1.67 1.64 1.28 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.33 5.15 0.00 1.71 1.79 0.00 3.15 0.00 0.00 3.45 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 28 A 8.49 4.46 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 29 A 9.07 4.42 1.22 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 30 E 7.38 4.65 0.00 1.89 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 2.07 2.24 0.00 31 D 8.67 4.74 0.00 2.55 2.63 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 32 V 9.29 4.44 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 0.94 0.00 0.00 0.91 0.00 0.00 33 A 8.75 5.32 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 34 I 8.84 4.52 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.76 0.87 0.00 0.00 35 K 8.56 4.65 0.00 1.87 1.70 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.51 1.00 7.81 36 K 8.83 3.88 0.00 1.85 1.73 0.00 1.97 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.63 7.81 37 D 8.78 4.27 0.00 2.83 2.84 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 38 E 7.38 4.76 0.00 2.07 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 2.26 0.00 39 F 8.62 5.44 0.00 3.10 3.02 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 40 K 8.04 4.11 0.00 1.72 1.44 0.00 1.44 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.39 7.81 41 L 8.14 4.55 0.00 1.47 1.68 0.79 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.90 4.07 2.29 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 0.77 0.00 0.00 1.08 0.00 0.00 43 P 0.00 3.88 0.00 1.96 1.64 0.00 3.62 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 44 L 7.95 4.82 0.00 1.78 1.72 1.22 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.94 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 0.00 0.00 0.00 46 V 7.33 4.90 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 0.69 0.00 0.00 0.33 0.00 0.00 47 A 8.34 4.75 0.35 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 48 M 8.48 4.99 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.14 0.00 49 E 8.75 4.75 0.00 1.98 1.77 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 2.18 2.24 0.00 50 L 8.49 4.51 0.00 1.68 1.70 1.10 1.29 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 51 P 0.00 4.34 0.00 1.81 1.78 0.00 3.56 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.13 0.00 52 E 8.59 4.28 0.00 1.96 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 2.34 2.36 0.00 53 G 9.57 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 0.00 0.00 0.00 54 Y 7.87 5.24 0.00 3.17 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 55 E 9.19 5.22 0.00 2.14 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 2.37 2.31 0.00 56 A 9.11 5.45 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 57 H 9.21 5.54 0.00 3.02 3.38 0.00 5.58 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 58 V 8.99 5.33 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 1.36 0.00 0.00 1.06 0.00 0.00 59 V 9.14 5.17 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 0.90 0.00 0.00 0.83 0.00 0.00 60 P 0.00 5.10 0.00 2.25 2.45 0.00 3.90 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 61 R 8.31 4.24 0.00 1.97 1.92 0.00 3.29 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 62 S 8.66 4.16 0.00 3.97 3.98 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 63 S 7.93 4.68 0.00 3.99 4.12 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 0.00 0.00 0.00 64 T 8.14 4.09 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 1.39 0.00 0.00 65 Y 8.04 3.96 0.00 3.13 3.05 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 66 K 8.14 3.90 0.00 1.86 1.82 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.48 7.81 67 N 7.89 4.10 0.00 2.08 1.42 0.00 0.00 6.84 7.06 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 68 F 8.10 4.73 0.00 3.00 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 69 G 8.34 3.47 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 0.00 0.00 0.00 0.00 70 V 7.26 5.34 2.37 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 0.91 0.00 0.00 1.19 0.00 0.00 71 I 8.69 4.90 2.00 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 1.55 1.06 1.09 0.00 0.00 72 Q 8.72 4.42 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.86 0.00 0.00 0.00 0.00 0.00 2.47 1.76 0.00 73 T 8.59 3.80 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 1.32 0.00 0.00 74 N 8.03 4.55 0.00 2.80 2.89 0.00 0.00 6.05 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 7.77 3.93 0.00 4.03 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 M 7.60 4.94 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 77 G 9.42 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 0.00 0.00 0.00 78 V 8.13 4.84 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 0.81 0.00 0.00 0.85 0.00 0.00 79 I 8.22 4.08 1.32 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.74 0.00 0.00 80 D 8.48 4.94 0.00 2.78 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.28 4.20 0.00 2.01 2.39 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 2.35 2.32 0.00 82 S 8.67 4.26 0.00 4.05 4.07 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 0.00 0.00 0.00 83 Y 7.82 4.59 0.00 2.82 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 84 K 7.02 4.86 0.00 1.80 1.81 0.00 1.22 0.00 0.00 0.61 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.32 7.81 85 G 8.47 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.50 4.28 0.00 2.60 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 87 N 7.84 5.03 0.00 2.96 2.92 0.00 0.00 6.07 8.06 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 88 D 7.17 4.34 0.00 2.23 1.54 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 89 F 7.84 4.63 0.00 3.27 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 90 W 9.26 4.98 0.00 3.23 3.16 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 0.00 0.00 0.00 0.00 91 F 8.90 5.29 0.00 2.90 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 92 F 9.47 4.82 0.00 3.12 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 93 P 0.00 4.65 0.00 2.32 2.33 0.00 3.35 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.96 0.00 94 A 8.72 5.34 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.93 5.17 0.00 3.23 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 96 A 8.49 4.58 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 97 L 9.10 4.73 0.00 1.96 1.95 1.31 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.67 4.53 0.00 1.87 1.87 0.00 3.02 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 99 D 8.58 4.61 0.00 2.58 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 0.00 100 T 9.20 4.72 4.30 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 1.33 0.00 0.00 101 K 8.73 5.07 0.00 1.54 1.54 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.23 0.99 7.81 102 I 9.29 4.41 1.83 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 0.82 0.51 0.51 0.00 0.00 103 K 9.46 4.75 0.00 1.92 1.72 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.42 1.25 7.81 104 K 8.85 3.98 0.00 1.58 1.71 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.37 7.81 105 G 8.81 3.99 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 0.00 0.00 0.00 106 D 8.07 4.46 0.00 2.61 2.40 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 0.00 107 R 8.59 4.68 0.00 1.87 1.92 0.00 3.25 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 108 I 8.36 4.29 1.17 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 1.10 0.54 0.24 0.00 0.00 109 C 7.53 5.07 0.00 3.47 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 0.00 110 Q 9.61 5.48 0.00 2.42 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 111 F 9.66 6.26 0.00 3.53 3.48 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 0.00 112 R 8.02 4.32 0.00 1.13 0.66 0.00 2.29 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.85 0.00 113 I 7.84 5.02 2.07 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.76 1.11 0.00 0.00 114 M 8.86 4.85 0.00 1.95 1.74 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 115 K 8.22 3.45 0.00 1.58 1.58 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.65 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.05 7.81 116 K 8.37 4.31 0.00 1.54 1.73 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.33 7.81 117 M 8.42 4.18 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 118 P 0.00 4.34 0.00 2.05 2.01 0.00 3.66 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 2.01 2.05 0.00 119 A 8.37 4.10 1.23 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 0.00 0.00 120 V 8.14 4.52 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 0.82 0.00 0.00 0.92 0.00 0.00 121 D 8.42 4.75 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.38 4.35 0.00 1.60 1.63 0.91 0.90 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 0.00 123 I 7.82 4.20 1.87 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 1.29 0.50 0.91 0.00 0.00 124 E 8.65 4.16 0.00 1.92 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 2.28 2.32 0.00 125 V 7.94 4.60 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 0.99 0.00 0.00 126 D 8.84 4.52 0.00 2.66 2.71 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 0.00 0.00 0.00 0.00 127 R 7.75 4.70 0.00 1.77 1.64 0.00 3.20 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 128 L 8.42 4.37 0.00 1.53 1.51 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.